data_r4ct7sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4ct7 
_cell.length_a      155.0310 
_cell.length_b      66.9840 
_cell.length_c      72.6530 
_cell.angle_alpha   90.0000 
_cell.angle_beta    99.8470 
_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   1.897 
_diffrn_reflns.pdbx_d_res_low    48.271 
_diffrn_reflns.limit_h_max       80 
_diffrn_reflns.limit_h_min       -81 
_diffrn_reflns.limit_k_max       35 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       38 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            57719 
_diffrn_reflns.pdbx_number_obs   57719 
# 
_entry.id   4ct7 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4ct7 
_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  -81    1    4 o   3.1330   0.8873   4.0720   1.4240   2.1940   1.0590 1.878000 1.775000 
1 1 1  -81    1    5 o   2.0770   0.7089   1.8560   0.9153   2.2980   1.0830 -0.4420000 1.418000 
1 1 1  -81    1    6 o   1.8220   0.6433   1.8760   0.9405   1.7680   0.8780 0.1073000 1.287000 
1 1 1  -81    1    7 f   2.3910   0.7910   2.3440   1.1100   2.4380   1.1280 -0.9426000E-01 1.582000 
1 1 1  -81    1    8 o   3.2730   0.9034   2.5520   1.2100   3.9940   1.3420 -1.442000 1.807000 
1 1 1  -81    1    9 o   8.8580   0.8767   9.1100   1.3960   8.6060   1.0610 0.5043000 1.753000 
1 1 1  -81    3    6 o   2.8230   1.3880  ?   ?    2.8230   1.3880      ?      ? 
1 1 1  -80    0    1 o   1.5970   1.1620   1.5970   1.1620   1.5970   1.1620 -0.000000 0.000000 
1 1 1  -80    0    2 o   2.9190   1.7290   2.9190   1.7290   2.9190   1.7290 -0.000000 0.000000 
1 1 1  -80    0    3 o   2.4630   1.6210   2.4630   1.6210   2.4630   1.6210 0.000000 0.000000 
1 1 1  -80    0    4 o   2.2170   1.4300   2.2170   1.4300   2.2170   1.4300 -0.000000 0.000000 
1 1 1  -80    0    5 o   1.7550   1.1850   1.7550   1.1850   1.7550   1.1850 -0.000000 0.000000 
1 1 1  -80    0    6 o   1.0020   0.7405   1.0020   0.7405   1.0020   0.7405 -0.000000 0.000000 
1 1 1  -80    0    7 o   1.3840   0.9800   1.3840   0.9800   1.3840   0.9800 0.000000 0.000000 
1 1 1  -80    0    8 o   1.8230   1.1960   1.8230   1.1960   1.8230   1.1960 -0.000000 0.000000 
1 1 1  -80    0    9 o   1.8920   1.2210   1.8920   1.2210   1.8920   1.2210 -0.000000 0.000000 
1 1 1  -80    0   10 o   5.0240   1.2350   5.0240   1.2350   5.0240   1.2350 -0.000000 0.000000 
1 1 1  -80    0   11 o   2.1460   1.3140   2.1460   1.3140   2.1460   1.3140 -0.000000 0.000000 
1 1 1  -80    0   12 o   1.2530   0.9022   1.2530   0.9022   1.2530   0.9022 0.000000 0.000000 
1 1 1  -80    0   13 o   1.4550   1.0400   1.4550   1.0400   1.4550   1.0400 0.000000 0.000000 
1 1 1  -80    2    1 o   2.7720   1.3220   2.7720   1.3220  ?   ?       ?      ? 
1 1 1  -80    2    2 o   7.8010   0.7124   7.1150   1.0320   8.4870   0.9821 -1.372000 1.425000 
1 1 1  -80    2    3 o   5.4630   0.8615   6.1200   1.0990   4.8060   1.3270 1.314000 1.723000 
1 1 1  -80    2    4 o   4.2790   0.9651   4.0990   1.4490   4.4580   1.2760 -0.3592000 1.930000 
1 1 1  -80    2    5 o   2.2870   0.7857   2.2020   1.1020   2.3720   1.1210 -0.1704000 1.571000 
1 1 1  -80    2    6 o   2.1160   0.7516   2.1080   1.0580   2.1240   1.0680 -0.1587000E-01 1.503000 
1 1 1  -80    2    7 o   2.0360   1.0240   2.0360   1.0240  ?   ?       ?      ? 
1 1 1  -80    2    8 o   2.3120   0.8131   2.4200   1.1810   2.2030   1.1180 0.2169000 1.626000 
1 1 1  -80    2    9 f   2.2600   0.8069   2.1650   1.0970   2.3550   1.1840 -0.1900000 1.614000 
1 1 1  -80    2   10 o   3.3160   1.0890   3.5520   1.6100   3.0800   1.4670 0.4723000 2.178000 
1 1 1  -80    2   11 o   2.0880   0.7466   2.0130   1.0150   2.1630   1.0960 -0.1499000 1.493000 
1 1 1  -80    2   12 o   2.3760   0.8238   2.8160   1.3160   1.9370   0.9914 0.8795000 1.648000 
1 1 1  -80    2   13 o   2.2350   0.8082   2.3500   1.1940   2.1190   1.0890 0.2308000 1.616000 
1 1 1  -80    4    2 o   3.0090   0.9129   2.2450   1.1550   3.7730   1.4140 -1.529000 1.826000 
1 1 1  -80    4    3 o   3.6280   1.1530   4.1470   1.7650   3.1100   1.4850 1.037000 2.306000 
1 1 1  -80    4    4 o   4.4390   1.2730   4.7500   1.8520   4.1280   1.7480 0.6213000 2.547000 
1 1 1  -80    4    5 o   3.1670   1.0420   3.9580   1.7120   2.3760   1.1900 1.582000 2.085000 
1 1 1  -80    4    6 o   2.8790   0.9818   2.9080   1.3990   2.8490   1.3770 0.5868000E-01 1.964000 
1 1 1  -80    4    7 o   2.5090   0.8774   2.6150   1.2830   2.4030   1.1970 0.2120000 1.755000 
1 1 1  -80    4    8 o   2.5440   0.8841   2.3700   1.1820   2.7170   1.3150 -0.3478000 1.768000 
1 1 1  -80    4    9 o   2.5690   0.8900   2.6970   1.3090   2.4410   1.2060 0.2567000 1.780000 
1 1 1  -80    4   10 o   2.4280   0.8511   2.4940   1.2310   2.3630   1.1760 0.1305000 1.702000 
1 1 1  -80    4   11 o   3.2360   1.0500   3.0150   1.4180   3.4580   1.5490 -0.4436000 2.100000 
1 1 1  -80    4   12 o   1.8000   0.6614   1.9040   0.9864   1.6960   0.8814 0.2083000 1.323000 
1 1 1  -80    6    5 o   2.3190   0.8427   2.4180   1.2380   2.2190   1.1440 0.1985000 1.685000 
1 1 1  -80    6    6 o   2.7650   0.9556   2.7480   1.3440   2.7820   1.3580 -0.3385000E-01 1.911000 
1 1 1  -80    6    7 o   2.9190   0.9961   2.9820   1.4320   2.8560   1.3850 0.1263000 1.992000 
1 1 1  -80    6    8 f   2.0610   0.7486   2.1250   1.0960   1.9980   1.0200 0.1268000 1.497000 
1 1 1  -79    1    1 o   3.1530   1.0660   3.1340   1.4730   3.1720   1.5420 -0.3842000E-01 2.133000 
1 1 1  -79    1    2 o   3.0780   0.9706   3.2400   1.3680   2.9160   1.3770 0.3239000 1.941000 
1 1 1  -79    1    3 o   2.1060   0.7268   2.2180   1.0690   1.9940   0.9852 0.2237000 1.454000 
1 1 1  -79    1    4 o   2.8830   0.8911   2.5420   1.1570   3.2230   1.3560 -0.6802000 1.782000 
1 1 1  -79    1    5 o   4.3840   0.9210   3.3770   1.3280   5.3920   1.2770 -2.015000 1.842000 
1 1 1  -79    1    6 o   2.2830   0.7702   2.0680   1.0260   2.4990   1.1490 -0.4306000 1.540000 
1 1 1  -79    1    7 o   2.0440   0.7082   2.3590   1.1290   1.7300   0.8559 0.6292000 1.416000 
1 1 1  -79    1    8 o   3.8140   0.9299   2.7030   1.3210   4.9250   1.3100 -2.223000 1.860000 
1 1 1  -79    1    9 o   2.7790   0.8925   3.2630   1.4150   2.2950   1.0880 0.9685000 1.785000 
1 1 1  -79    1   10 o   2.6870   0.8567   2.4200   1.1660   2.9540   1.2550 -0.5338000 1.713000 
1 1 1  -79    1   11 o   2.9360   0.9611   3.4060   1.5490   2.4660   1.1380 0.9399000 1.922000 
1 1 1  -79    1   12 o   7.4400   0.7069   7.3030   1.0850   7.5770   0.9064 -0.2738000 1.414000 
1 1 1  -79    1   13 o   1.8870   0.6656   2.0300   1.0070   1.7450   0.8710 0.2848000 1.331000 
1 1 1  -79    1   14 o   2.5840   0.8108   1.8860   0.9338   3.2820   1.3260 -1.397000 1.622000 
1 1 1  -79    1   15 o   2.7050   0.8863   2.9140   1.3380   2.4960   1.1630 0.4177000 1.773000 
1 1 1  -79    3    1 o   2.1360   0.7539   2.0980   1.0450   2.1740   1.0870 -0.7575000E-01 1.508000 
1 1 1  -79    3    2 o   2.5320   0.8262   2.6140   1.1860   2.4510   1.1500 0.1636000 1.652000 
1 1 1  -79    3    3 o   3.3050   0.9846   2.7750   1.3590   3.8350   1.4250 -1.059000 1.969000 
1 1 1  -79    3    4 o   3.7870   1.1380   4.8320   1.8400   2.7420   1.3400 2.089000 2.276000 
1 1 1  -79    3    5 f   3.2160   1.0520   3.5910   1.6000   2.8420   1.3670 0.7485000 2.104000 
1 1 1  -79    3    6 o   2.5390   0.8835   2.3530   1.1750   2.7250   1.3190 -0.3713000 1.767000 
1 1 1  -79    3    7 o   3.0520   1.0060   3.4610   1.5470   2.6430   1.2850 0.8179000 2.011000 
1 1 1  -79    3    8 o   2.7780   0.9429   2.5960   1.2670   2.9590   1.3960 -0.3630000 1.886000 
1 1 1  -79    3    9 o   3.2090   1.0050   2.1930   1.1010   4.2240   1.6810 -2.031000 2.010000 
1 1 1  -79    3   10 o   3.2020   1.0330   3.3000   1.4840   3.1040   1.4360 0.1965000 2.066000 
1 1 1  -79    3   11 o   2.7950   0.9433   2.8430   1.3490   2.7470   1.3190 0.9558000E-01 1.887000 
1 1 1  -79    3   12 o   1.9670   0.7070   1.9910   1.0110   1.9430   0.9880 0.4789000E-01 1.414000 
1 1 1  -79    3   13 o   2.3020   0.8119   2.4930   1.2240   2.1110   1.0670 0.3816000 1.624000 
1 1 1  -79    3   14 o   2.5060   0.8693   2.2680   1.1340   2.7440   1.3180 -0.4766000 1.739000 
1 1 1  -79    3   15 o   2.0340   0.7422   2.0230   1.0460   2.0450   1.0540 -0.2200000E-01 1.484000 
1 1 1  -79    5    1 o   2.3640   0.8522   3.0820   1.4850   1.6450   0.8370 1.437000 1.704000 
1 1 1  -79    5    2 o   2.8770   1.0060   2.9800   1.4430   2.7740   1.4010 0.2060000 2.011000 
1 1 1  -79    5    3 o   2.3010   0.8234   2.2230   1.1280   2.3780   1.1990 -0.1550000 1.647000 
1 1 1  -79    5    4 o   3.5860   1.1540   3.3260   1.5600   3.8450   1.7000 -0.5199000 2.307000 
1 1 1  -79    5    5 o   2.3080   0.8247   2.4030   1.2070   2.2130   1.1240 0.1891000 1.649000 
1 1 1  -79    5    6 o   2.6330   0.9189   2.8200   1.3720   2.4450   1.2230 0.3742000 1.838000 
1 1 1  -79    5    7 o   2.4470   0.8643   2.7730   1.3520   2.1210   1.0770 0.6521000 1.729000 
1 1 1  -79    5    8 o   2.4670   0.8696   2.0070   1.0230   2.9270   1.4060 -0.9203000 1.739000 
1 1 1  -79    5    9 f   2.4430   0.8609   2.7940   1.3540   2.0930   1.0630 0.7008000 1.722000 
1 1 1  -79    5   10 o   2.5720   0.8983   2.8630   1.3830   2.2800   1.1460 0.5830000 1.797000 
1 1 1  -79    5   11 o   2.6430   0.9177   2.9050   1.3980   2.3810   1.1900 0.5241000 1.835000 
1 1 1  -79    5   12 o   2.5790   0.8998   2.4620   1.2240   2.6950   1.3190 -0.2328000 1.800000 
1 1 1  -79    5   13 o   2.2390   0.8127   2.4520   1.2570   2.0250   1.0310 0.4272000 1.625000 
1 1 1  -79    5   14 f   2.1110   1.0900   2.1110   1.0900  ?   ?       ?      ? 
1 1 1  -79    7    2 o   2.3170   1.1920   2.3170   1.1920  ?   ?       ?      ? 
1 1 1  -79    7    3 o   2.9750   1.0600   3.1900   1.5900   2.7600   1.4040 0.4297000 2.121000 
1 1 1  -79    7    4 o   2.7720   0.9939   2.8970   1.4590   2.6470   1.3490 0.2495000 1.988000 
1 1 1  -79    7    5 o   2.9850   1.0360   2.7410   1.3910   3.2300   1.5360 -0.4896000 2.072000 
1 1 1  -79    7    6 o   2.3930   0.8635   2.5350   1.2960   2.2510   1.1420 0.2842000 1.727000 
1 1 1  -79    7    7 o   3.2730   1.0780   2.6070   1.2930   3.9390   1.7250 -1.332000 2.156000 
1 1 1  -79    7    8 o   2.2780   0.8144   2.4890   1.2410   2.0680   1.0550 0.4212000 1.629000 
1 1 1  -79    7    9 o   2.6520   0.9235   2.3770   1.1940   2.9270   1.4090 -0.5499000 1.847000 
1 1 1  -79    7   10 o   2.0680   0.7458   1.9840   1.0150   2.1520   1.0930 -0.1679000 1.492000 
1 1 1  -79    7   11 o   2.9740   1.0190   2.5390   1.2980   3.4090   1.5720 -0.8698000 2.039000 
1 1 1  -78    0    1 o   1.9680   1.3670   1.9680   1.3670   1.9680   1.3670 0.000000 0.000000 
1 1 1  -78    0    2 f   1.8280   1.3110   1.8280   1.3110   1.8280   1.3110 0.000000 0.000000 
1 1 1  -78    0    3 o   2.4940   1.6470   2.4940   1.6470   2.4940   1.6470 -0.000000 0.000000 
1 1 1  -78    0    4 o   2.0960   1.3910   2.0960   1.3910   2.0960   1.3910 -0.000000 0.000000 
1 1 1  -78    0    5 o   1.9070   1.2680   1.9070   1.2680   1.9070   1.2680 0.000000 0.000000 
1 1 1  -78    0    6 o   2.2620   1.4000   2.2620   1.4000   2.2620   1.4000 0.000000 0.000000 
1 1 1  -78    0    7 o   1.5240   1.0650   1.5240   1.0650   1.5240   1.0650 -0.000000 0.000000 
1 1 1  -78    0    8 o   1.7570   1.1780   1.7570   1.1780   1.7570   1.1780 0.000000 0.000000 
1 1 1  -78    0    9 o   2.0280   1.2880   2.0280   1.2880   2.0280   1.2880 -0.000000 0.000000 
1 1 1  -78    0   10 o   7.4290   0.7919   7.4290   0.7919   7.4290   0.7919 0.000000 0.000000 
1 1 1  -78    0   11 o   9.6570   0.6217   9.6570   0.6217   9.6570   0.6217 0.000000 0.000000 
1 1 1  -78    0   12 o   5.2540   1.3030   5.2540   1.3030   5.2540   1.3030 -0.000000 0.000000 
1 1 1  -78    0   13 o   1.9230   1.2640   1.9230   1.2640   1.9230   1.2640 -0.000000 0.000000 
1 1 1  -78    0   14 o   2.4100   1.4490   2.4100   1.4490   2.4100   1.4490 0.000000 0.000000 
1 1 1  -78    0   15 o   2.1880   1.4210   2.1880   1.4210   2.1880   1.4210 0.000000 0.000000 
1 1 1  -78    0   16 o   1.8170   1.2830   1.8170   1.2830   1.8170   1.2830 -0.000000 0.000000 
1 1 1  -78    0   17 o   2.3860   1.6540   2.3860   1.6540   2.3860   1.6540 0.000000 0.000000 
1 1 1  -78    2    1 o   3.1940   1.0870   2.7070   1.2840   3.6810   1.7530 -0.9740000 2.173000 
1 1 1  -78    2    2 o   2.9310   0.9214   2.9010   1.2830   2.9600   1.3220 -0.5919000E-01 1.843000 
1 1 1  -78    2    3 o   2.5610   0.8263   2.7510   1.2200   2.3720   1.1140 0.3791000 1.653000 
1 1 1  -78    2    4 f   2.9040   0.8860   2.7800   1.2630   3.0280   1.2430 -0.2479000 1.772000 
1 1 1  -78    2    5 o   3.5350   0.9661   2.7330   1.3180   4.3370   1.4130 -1.604000 1.932000 
1 1 1  -78    2    6 o   2.3280   0.8165   2.5980   1.2590   2.0590   1.0400 0.5395000 1.633000 
1 1 1  -78    2    7 o   2.7940   0.9513   2.9110   1.3640   2.6780   1.3270 0.2335000 1.903000 
1 1 1  -78    2    8 f   6.1420   1.2040   7.3620   1.4460   4.9220   1.9260 2.439000 2.408000 
1 1 1  -78    2    9 o   5.2700   1.3110   4.2360   1.7910   6.3040   1.9150 -2.068000 2.622000 
1 1 1  -78    2   10 o   3.5030   1.1360   3.7950   1.6940   3.2120   1.5140 0.5836000 2.271000 
1 1 1  -78    2   11 o   4.0960   1.0940   5.2050   1.6580   2.9870   1.4280 2.218000 2.188000 
1 1 1  -78    2   12 o   2.8370   0.9601   2.8820   1.3490   2.7930   1.3670 0.8945000E-01 1.920000 
1 1 1  -78    2   13 o   3.1100   0.9855   3.8940   1.5980   2.3250   1.1540 1.569000 1.971000 
1 1 1  -78    2   14 o   2.4560   0.8335   2.5170   1.2250   2.3950   1.1300 0.1219000 1.667000 
1 1 1  -78    2   15 o   3.1120   0.9325   3.1480   1.3330   3.0750   1.3050 0.7346000E-01 1.865000 
1 1 1  -78    2   16 o   3.0780   0.8981   3.4420   1.3280   2.7140   1.2100 0.7272000 1.796000 
1 1 1  -78    2   17 o   2.0200   0.7331   1.9110   0.9884   2.1290   1.0830 -0.2181000 1.466000 
1 1 1  -78    4    1 o   3.6310   1.0300   2.9480   1.3270   4.3130   1.5760 -1.365000 2.061000 
1 1 1  -78    4    2 o   4.7360   1.1060   3.8770   1.7300   5.5940   1.3780 -1.717000 2.211000 
1 1 1  -78    4    3 o   3.5220   1.1330   4.2100   1.7900   2.8330   1.3880 1.377000 2.265000 
1 1 1  -78    4    4 o   3.5170   1.1410   3.9300   1.7360   3.1050   1.4830 0.8251000 2.283000 
1 1 1  -78    4    5 o   3.6100   1.1580   3.2550   1.5360   3.9660   1.7320 -0.7110000 2.315000 
1 1 1  -78    4    6 o   4.1460   1.2080   3.2000   1.5080   5.0920   1.8880 -1.892000 2.417000 
1 1 1  -78    4    7 o   3.6900   1.1420   3.0360   1.4450   4.3440   1.7700 -1.307000 2.285000 
1 1 1  -78    4    8 o   3.3440   1.0850   3.6580   1.6240   3.0290   1.4400 0.6292000 2.170000 
1 1 1  -78    4    9 o   3.8060   1.1400   4.7030   1.8010   2.9090   1.3990 1.794000 2.280000 
1 1 1  -78    4   10 o   2.7060   0.9335   2.9810   1.4220   2.4320   1.2100 0.5493000 1.867000 
1 1 1  -78    4   11 o   3.8390   1.1530   4.4800   1.7620   3.1980   1.4880 1.281000 2.306000 
1 1 1  -78    4   12 o   3.0690   1.0220   2.9370   1.4050   3.2020   1.4850 -0.2649000 2.044000 
1 1 1  -78    4   13 o   2.0330   0.7313   2.0010   1.0210   2.0640   1.0480 -0.6360000E-01 1.463000 
1 1 1  -78    4   14 o   3.3010   1.0730   3.3840   1.5410   3.2190   1.4940 0.1648000 2.146000 
1 1 1  -78    4   15 o   2.5000   0.8754   2.7230   1.3270   2.2760   1.1420 0.4463000 1.751000 
1 1 1  -78    4   16 o   2.4430   0.8572   2.1550   1.0900   2.7310   1.3240 -0.5761000 1.714000 
1 1 1  -78    6    1 o   3.4810   1.2050   3.6300   1.7580   3.3320   1.6480 0.2981000 2.410000 
1 1 1  -78    6    2 o   2.9930   1.0410   2.5120   1.2850   3.4740   1.6380 -0.9622000 2.082000 
1 1 1  -78    6    3 o   4.0850   1.2710   4.2150   1.8270   3.9550   1.7690 0.2594000 2.543000 
1 1 1  -78    6    4 o   3.2060   1.0850   2.9470   1.4370   3.4650   1.6250 -0.5175000 2.170000 
1 1 1  -78    6    5 o   2.7730   0.9670   2.7150   1.3420   2.8320   1.3930 -0.1172000 1.934000 
1 1 1  -78    6    6 o   3.4390   1.1240   3.8300   1.7040   3.0490   1.4670 0.7812000 2.249000 
1 1 1  -78    6    7 o   2.7740   0.9625   2.9160   1.4140   2.6320   1.3060 0.2847000 1.925000 
1 1 1  -78    6    8 o   3.4470   1.1180   3.1300   1.4810   3.7640   1.6750 -0.6339000 2.235000 
1 1 1  -78    6    9 o   2.7770   0.9577   2.5980   1.2830   2.9570   1.4220 -0.3586000 1.915000 
1 1 1  -78    6   10 o   3.3240   1.0940   3.3050   1.5400   3.3420   1.5550 -0.3731000E-01 2.189000 
1 1 1  -78    6   11 o   3.0980   1.0400   2.6400   1.3020   3.5560   1.6210 -0.9162000 2.079000 
1 1 1  -78    6   12 o   2.3710   0.8414   2.4340   1.2160   2.3090   1.1630 0.1244000 1.683000 
1 1 1  -78    6   13 o   3.0700   1.0340   3.0990   1.4700   3.0410   1.4530 0.5798000E-01 2.067000 
1 1 1  -78    6   14 o   5.0800   1.3040   6.1640   1.8760   3.9960   1.8120 2.168000 2.608000 
1 1 1  -78    6   15 o   2.0870   1.0790   2.0870   1.0790  ?   ?       ?      ? 
1 1 1  -78    8    1 o   2.5190   0.9158   2.7870   1.4170   2.2510   1.1610 0.5365000 1.832000 
1 1 1  -78    8    2 o   2.6260   0.9492   2.5220   1.2920   2.7300   1.3910 -0.2082000 1.898000 
1 1 1  -78    8    3 f   3.0640   1.0670   3.4070   1.6210   2.7210   1.3870 0.6858000 2.133000 
1 1 1  -78    8    4 o   2.7450   0.9715   3.0450   1.4830   2.4450   1.2550 0.6001000 1.943000 
1 1 1  -78    8    5 o   2.1800   0.7965   2.2010   1.1370   2.1590   1.1160 0.4165000E-01 1.593000 
1 1 1  -78    8    6 o   2.6280   0.9495   2.4830   1.2730   2.7730   1.4090 -0.2901000 1.899000 
1 1 1  -78    8    7 o   2.2720   0.8283   2.2280   1.1490   2.3150   1.1940 -0.8756000E-01 1.657000 
1 1 1  -78    8    8 o   2.1710   0.7933   2.1970   1.1350   2.1450   1.1090 0.5185000E-01 1.587000 
1 1 1  -78    8    9 o   2.8950   1.0380   3.1750   1.5880   2.6150   1.3380 0.5601000 2.077000 
1 1 1  -78    8   10 o   2.5800   0.9345   2.5120   1.2880   2.6470   1.3540 -0.1350000 1.869000 
1 1 1  -78    8   11 o   2.3910   0.8705   2.3500   1.2090   2.4320   1.2520 -0.8272000E-01 1.741000 
1 1 1  -78    8   12 o   2.1670   0.7929   2.2150   1.1440   2.1200   1.0980 0.9520000E-01 1.586000 
1 1 1  -78    8   13 o   2.0240   1.0490   2.0240   1.0490  ?   ?       ?      ? 
1 1 1  -78   10    6 o   2.2980   1.1840   2.2980   1.1840  ?   ?       ?      ? 
1 1 1  -78   10    7 o   2.0170   0.7396   1.9600   1.0170   2.0750   1.0740 -0.1147000 1.479000 
1 1 1  -78   10    8 o   1.9110   0.7021   1.9410   1.0080   1.8820   0.9780 0.5882000E-01 1.404000 
1 1 1  -77    1    1 o   3.5210   1.1100   2.9510   1.4230   4.0910   1.7040 -1.140000 2.220000 
1 1 1  -77    1    2 o   6.8910   1.2210   6.8910   1.2210  ?   ?       ?      ? 
1 1 1  -77    1    3 o   3.8470   0.9964   3.3120   1.3870   4.3810   1.4310 -1.069000 1.993000 
1 1 1  -77    1    4 o   5.1330   1.0300   4.8020   1.5100   5.4630   1.4000 -0.6602000 2.059000 
1 1 1  -77    1    5 o   3.9250   1.0090   3.9240   1.4380   3.9250   1.4160 -0.8872000E-03 2.018000 
1 1 1  -77    1    6 o   6.9480   0.7163   6.8700   1.0280   7.0250   0.9982 -0.1552000 1.433000 
1 1 1  -77    1    7 o   7.2690   0.7632   6.2530   1.3430   8.2850   0.7246 -2.032000 1.526000 
1 1 1  -77    1    8 f   4.6740   0.9965   3.8770   1.4840   5.4700   1.3300 -1.593000 1.993000 
1 1 1  -77    1    9 o   6.5860   0.7609   6.7490   0.9909   6.4230   1.1550 0.3259000 1.522000 
1 1 1  -77    1   10 o   3.8450   1.0420   4.3990   1.5990   3.2910   1.3350 1.108000 2.083000 
1 1 1  -77    1   11 o   4.6280   1.0220   5.0250   1.4770   4.2320   1.4130 0.7924000 2.044000 
1 1 1  -77    1   12 o   1.8820   0.6629   2.0090   1.0020   1.7560   0.8682 0.2533000 1.326000 
1 1 1  -77    1   13 o   4.3170   0.9188   2.9980   1.3550   5.6360   1.2420 -2.638000 1.838000 
1 1 1  -77    1   14 o   2.3480   0.7866   2.3480   1.1130   2.3480   1.1120 -0.8893000E-04 1.573000 
1 1 1  -77    1   15 o   2.4180   0.8026   2.0150   0.9852   2.8210   1.2670 -0.8052000 1.605000 
1 1 1  -77    1   16 o   2.9430   0.9125   3.4520   1.4240   2.4350   1.1410 1.017000 1.825000 
1 1 1  -77    1   17 o   2.3220   0.7933   2.1430   1.0420   2.5000   1.1960 -0.3565000 1.587000 
1 1 1  -77    1   18 o   2.7770   0.9132   2.7110   1.2710   2.8440   1.3120 -0.1334000 1.826000 
1 1 1  -77    3    1 o   2.6080   0.8800   2.7570   1.2980   2.4590   1.1880 0.2979000 1.760000 
1 1 1  -77    3    2 o   4.1040   0.9467   2.9850   1.2870   5.2220   1.3890 -2.237000 1.893000 
1 1 1  -77    3    3 o   3.3380   0.9754   3.1010   1.3450   3.5760   1.4130 -0.4749000 1.951000 
1 1 1  -77    3    4 o   3.8310   1.1960   3.8710   1.6930   3.7920   1.6900 0.7904000E-01 2.392000 
1 1 1  -77    3    5 o   3.3220   1.0890   2.9320   1.4080   3.7120   1.6600 -0.7799000 2.177000 
1 1 1  -77    3    6 o   3.1730   1.0500   2.6690   1.3090   3.6760   1.6430 -1.007000 2.101000 
1 1 1  -77    3    7 o   2.6880   0.9273   2.5960   1.2690   2.7790   1.3520 -0.1833000 1.855000 
1 1 1  -77    3    8 o   2.7030   0.9304   2.5950   1.2710   2.8110   1.3590 -0.2157000 1.861000 
1 1 1  -77    3    9 o   6.6710   1.2110   6.2660   1.7410   7.0770   1.6840 -0.8107000 2.422000 
1 1 1  -77    3   10 o   4.3870   1.2170   4.7560   1.7570   4.0170   1.6830 0.7393000 2.433000 
1 1 1  -77    3   11 o   2.7520   0.9404   2.6190   1.2810   2.8840   1.3770 -0.2647000 1.881000 
1 1 1  -77    3   12 o   3.7450   1.1280   3.1590   1.4690   4.3310   1.7130 -1.172000 2.256000 
1 1 1  -77    3   13 o   2.4640   0.8618   2.5350   1.2440   2.3920   1.1930 0.1423000 1.724000 
1 1 1  -77    3   14 o   2.6330   0.9082   2.8920   1.3800   2.3730   1.1810 0.5196000 1.816000 
1 1 1  -77    3   15 o   2.8290   0.9605   3.1820   1.4790   2.4770   1.2260 0.7056000 1.921000 
1 1 1  -77    3   16 o   2.4350   0.8329   2.3310   1.1640   2.5380   1.1920 -0.2072000 1.666000 
1 1 1  -77    3   17 o   3.2090   1.0040   3.5340   1.5710   2.8830   1.2490 0.6507000 2.007000 
1 1 1  -77    3   18 o   2.4320   1.2170  ?   ?    2.4320   1.2170      ?      ? 
1 1 1  -77    5    1 o   3.9220   1.1480   4.0520   1.7880   3.7920   1.4390 0.2601000 2.295000 
1 1 1  -77    5    2 o   3.6110   1.1790   3.1120   1.5050   4.1100   1.8160 -0.9971000 2.359000 
1 1 1  -77    5    3 o   2.8590   0.9952   2.6990   1.3410   3.0180   1.4710 -0.3193000 1.990000 
1 1 1  -77    5    4 o   3.2220   1.0710   2.3300   1.1790   4.1140   1.7890 -1.784000 2.142000 
1 1 1  -77    5    5 o   3.5020   1.1210   4.3700   1.8150   2.6340   1.3150 1.736000 2.241000 
1 1 1  -77    5    6 o   3.6280   1.1680   3.3500   1.5600   3.9060   1.7390 -0.5560000 2.336000 
1 1 1  -77    5    7 o   3.8400   1.1880   4.3940   1.8010   3.2870   1.5500 1.107000 2.376000 
1 1 1  -77    5    8 o   3.5570   1.1410   3.7340   1.6520   3.3800   1.5760 0.3537000 2.283000 
1 1 1  -77    5    9 o   4.4510   1.1750   5.9070   1.8550   2.9950   1.4420 2.912000 2.350000 
1 1 1  -77    5   10 o   3.5100   1.1340   3.1250   1.4870   3.8940   1.7120 -0.7690000 2.268000 
1 1 1  -77    5   11 o   4.1600   1.2380   4.7710   1.8750   3.5500   1.6170 1.221000 2.476000 
1 1 1  -77    5   12 o   6.2000   1.3180   5.6530   1.8870   6.7480   1.8410 -1.095000 2.636000 
1 1 1  -77    5   13 o   2.9450   1.0010   3.1420   1.4830   2.7480   1.3440 0.3943000 2.001000 
1 1 1  -77    5   14 o   3.6500   1.1760   3.7210   1.6460   3.5790   1.6810 0.1412000 2.352000 
1 1 1  -77    5   15 o   3.1170   1.0420   2.9750   1.4240   3.2580   1.5220 -0.2826000 2.084000 
1 1 1  -77    5   16 o   3.3220   1.0750   2.7090   1.3230   3.9340   1.6950 -1.225000 2.150000 
1 1 1  -77    5   17 o   2.3030   0.8252   2.2350   1.1270   2.3720   1.2060 -0.1365000 1.650000 
1 1 1  -77    7    1 o   3.0170   1.0760   3.3480   1.6580   2.6860   1.3720 0.6620000 2.153000 
1 1 1  -77    7    2 o   2.9530   1.0560   2.8250   1.4340   3.0810   1.5490 -0.2561000 2.111000 
1 1 1  -77    7    3 o   3.6380   1.2480   4.5360   2.0700   2.7400   1.3950 1.796000 2.496000 
1 1 1  -77    7    4 o   3.0030   1.0680   3.1870   1.5900   2.8180   1.4280 0.3688000 2.137000 
1 1 1  -77    7    5 o   3.0830   1.0790   3.2020   1.5980   2.9640   1.4490 0.2385000 2.157000 
1 1 1  -77    7    6 o   3.1160   1.0620   3.3320   1.5790   2.9000   1.4200 0.4314000 2.124000 
1 1 1  -77    7    7 o   2.9860   1.0260   3.0420   1.4710   2.9290   1.4300 0.1125000 2.052000 
1 1 1  -77    7    8 o   9.7580   1.0180   9.8630   1.4140   9.6540   1.4650 0.2089000 2.036000 
1 1 1  -77    7    9 o   4.1780   1.2280   5.1410   1.9210   3.2160   1.5310 1.924000 2.457000 
1 1 1  -77    7   10 o   2.6930   0.9414   2.7260   1.3430   2.6610   1.3190 0.6516000E-01 1.883000 
1 1 1  -77    7   11 o   2.4620   0.8733   2.6620   1.3170   2.2620   1.1480 0.4009000 1.747000 
1 1 1  -77    7   12 o   3.9850   1.2320   4.2520   1.7990   3.7180   1.6840 0.5336000 2.464000 
1 1 1  -77    7   13 o   2.7910   0.9782   2.6350   1.3020   2.9470   1.4610 -0.3113000 1.956000 
1 1 1  -77    7   14 o   2.9900   1.0360   2.7640   1.4050   3.2160   1.5240 -0.4517000 2.073000 
1 1 1  -77    7   15 o   4.3790   1.4100   3.1590   1.5800   5.5990   2.3370 -2.439000 2.821000 
1 1 1  -77    7   16 o   2.0980   1.0850   2.0980   1.0850  ?   ?       ?      ? 
1 1 1  -77    9    1 o   2.5240   0.9112   2.6740   1.3650   2.3740   1.2070 0.3004000 1.822000 
1 1 1  -77    9    2 o   2.3060   0.8385   2.4500   1.2580   2.1610   1.1090 0.2883000 1.677000 
1 1 1  -77    9    3 o   3.1480   1.1020   3.1070   1.5200   3.1890   1.5970 -0.8207000E-01 2.205000 
1 1 1  -77    9    4 o   2.3920   0.8633   2.8020   1.3930   1.9810   1.0200 0.8210000 1.727000 
1 1 1  -77    9    5 o   3.1590   1.0780   3.6090   1.6820   2.7080   1.3490 0.9009000 2.157000 
1 1 1  -77    9    6 o   3.1670   1.0770   3.5920   1.6660   2.7410   1.3640 0.8507000 2.153000 
1 1 1  -77    9    7 o   3.5670   1.1640   3.0050   1.4600   4.1290   1.8120 -1.125000 2.327000 
1 1 1  -77    9    8 o   2.6020   0.9210   2.5250   1.2670   2.6780   1.3370 -0.1536000 1.842000 
1 1 1  -77    9    9 o   3.1480   1.0670   2.9490   1.4340   3.3460   1.5820 -0.3967000 2.135000 
1 1 1  -77    9   10 f   2.3520   0.8429   2.7080   1.3390   1.9960   1.0240 0.7129000 1.686000 
1 1 1  -77    9   11 o   2.5670   0.9077   2.8990   1.4160   2.2350   1.1360 0.6643000 1.815000 
1 1 1  -77    9   12 o   4.4930   1.2990   5.0420   1.9210   3.9450   1.7480 1.097000 2.597000 
1 1 1  -77    9   13 o   2.6670   0.9392   2.9270   1.4220   2.4070   1.2280 0.5202000 1.878000 
1 1 1  -77    9   14 o   2.0750   1.0750   2.0750   1.0750  ?   ?       ?      ? 
1 1 1  -77   11    4 o   2.9310   1.4460   2.9310   1.4460  ?   ?       ?      ? 
1 1 1  -77   11    5 o   2.4720   0.8880   2.8780   1.4250   2.0660   1.0610 0.8122000 1.776000 
1 1 1  -77   11    6 o   2.0450   0.7434   1.9620   1.0110   2.1280   1.0900 -0.1654000 1.487000 
1 1 1  -77   11    7 o   2.2970   0.8315   1.9160   0.9879   2.6780   1.3380 -0.7626000 1.663000 
1 1 1  -77   11    8 o   3.0300   1.0380   3.8690   1.7500   2.1900   1.1190 1.679000 2.077000 
1 1 1  -77   11    9 o   2.3880   0.8630   2.4170   1.2450   2.3590   1.1960 0.5876000E-01 1.726000 
1 1 1  -76    0    1 f   4.4130   2.1750   4.4130   2.1750   4.4130   2.1750 0.000000 0.000000 
1 1 1  -76    0    2 o   4.8450   2.5950   4.8450   2.5950   4.8450   2.5950 0.000000 0.000000 
1 1 1  -76    0    3 o   1.9370   1.3740   1.9370   1.3740   1.9370   1.3740 -0.000000 0.000000 
1 1 1  -76    0    4 f   2.2890   1.4930   2.2890   1.4930   2.2890   1.4930 -0.000000 0.000000 
1 1 1  -76    0    5 o   3.8910   1.6740   3.8910   1.6740   3.8910   1.6740 -0.000000 0.000000 
1 1 1  -76    0    6 o   4.6750   1.5400   4.6750   1.5400   4.6750   1.5400 -0.000000 0.000000 
1 1 1  -76    0    7 o   2.5720   1.4950   2.5720   1.4950   2.5720   1.4950 0.000000 0.000000 
1 1 1  -76    0    8 o   5.4750   1.2890   5.4750   1.2890   5.4750   1.2890 0.000000 0.000000 
1 1 1  -76    0    9 o   2.3350   1.4090   2.3350   1.4090   2.3350   1.4090 -0.000000 0.000000 
1 1 1  -76    0   10 o   8.0030   0.7760   8.0030   0.7760   8.0030   0.7760 -0.000000 0.000000 
1 1 1  -76    0   11 o   2.3510   1.4210   2.3510   1.4210   2.3510   1.4210 -0.000000 0.000000 
1 1 1  -76    0   12 o   1.9570   1.2780   1.9570   1.2780   1.9570   1.2780 -0.000000 0.000000 
1 1 1  -76    0   13 o   4.3790   1.5870   4.3790   1.5870   4.3790   1.5870 0.000000 0.000000 
1 1 1  -76    0   14 o   5.4080   1.4290   5.4080   1.4290   5.4080   1.4290 0.000000 0.000000 
1 1 1  -76    0   15 o   7.9200   1.2400   7.9200   1.2400   7.9200   1.2400 -0.000000 0.000000 
1 1 1  -76    0   16 o   2.1910   1.4810   2.1910   1.4810   2.1910   1.4810 -0.000000 0.000000 
1 1 1  -76    0   17 o   1.9500   1.3340   1.9500   1.3340   1.9500   1.3340 -0.000000 0.000000 
1 1 1  -76    0   18 o   5.0030   1.6990   5.0030   1.6990   5.0030   1.6990 -0.000000 0.000000 
1 1 1  -76    0   19 o   2.0450   1.3640   2.0450   1.3640   2.0450   1.3640 0.000000 0.000000 
1 1 1  -76    2    1 o   8.5640   0.7649   8.9030   1.1750   8.2260   0.9796 0.6770000 1.530000 
1 1 1  -76    2    2 o   3.8730   0.9770   2.7130   1.2560   5.0340   1.4970 -2.321000 1.954000 
1 1 1  -76    2    3 o   3.1150   0.9331   3.0060   1.3130   3.2240   1.3260 -0.2184000 1.866000 
1 1 1  -76    2    4 o   3.4920   0.9549   4.4840   1.5360   2.5010   1.1340 1.983000 1.910000 
1 1 1  -76    2    5 o   3.2780   0.9456   2.7630   1.2450   3.7940   1.4230 -1.031000 1.891000 
1 1 1  -76    2    6 o   4.6420   1.1240   5.9820   1.6670   3.3010   1.5070 2.681000 2.247000 
1 1 1  -76    2    7 o   5.1070   1.2760   5.6040   1.6710   4.6110   1.9280 0.9928000 2.552000 
1 1 1  -76    2    8 o   5.9880   1.2260   7.3470   1.4870   4.6290   1.9500 2.718000 2.452000 
1 1 1  -76    2    9 o   3.8940   1.2210   3.2160   1.5310   4.5720   1.9020 -1.356000 2.442000 
1 1 1  -76    2   10 o   3.3630   1.1170   3.4260   1.6000   3.2990   1.5580 0.1272000 2.234000 
1 1 1  -76    2   11 o   2.9680   0.9913   3.2450   1.4680   2.6900   1.3330 0.5553000 1.983000 
1 1 1  -76    2   12 o   5.7980   1.1390   4.4920   1.6710   7.1030   1.5490 -2.611000 2.278000 
1 1 1  -76    2   13 o   3.6550   1.0200   3.2050   1.4630   4.1060   1.4210 -0.9007000 2.040000 
1 1 1  -76    2   14 o   3.5070   0.9957   3.4820   1.4020   3.5320   1.4140 -0.4998000E-01 1.991000 
1 1 1  -76    2   15 o   4.4420   1.0040   3.9340   1.4960   4.9500   1.3380 -1.016000 2.007000 
1 1 1  -76    2   16 o   3.0150   0.9260   3.4160   1.4120   2.6150   1.1980 0.8002000 1.852000 
1 1 1  -76    2   17 o   8.3680   0.6331   7.4330   0.9830   9.3040   0.7982 -1.870000 1.266000 
1 1 1  -76    2   18 o   4.9510   1.0350   3.8190   1.4380   6.0820   1.4880 -2.264000 2.070000 
1 1 1  -76    2   19 o   2.7920   0.9174   2.3830   1.1610   3.2000   1.4210 -0.8175000 1.835000 
1 1 1  -76    4    1 o   3.2910   0.9890   3.8380   1.5170   2.7450   1.2700 1.094000 1.978000 
1 1 1  -76    4    2 o   5.1870   0.9652   4.4260   1.4750   5.9470   1.2460 -1.520000 1.930000 
1 1 1  -76    4    3 o   3.4110   1.1310   3.1870   1.5220   3.6350   1.6730 -0.4487000 2.262000 
1 1 1  -76    4    4 o   4.7350   1.3430   4.9750   1.9120   4.4950   1.8870 0.4793000 2.686000 
1 1 1  -76    4    5 o   4.1860   1.2710   4.3890   1.8120   3.9830   1.7820 0.4064000 2.542000 
1 1 1  -76    4    6 f   3.4050   1.1180   3.6290   1.6370   3.1820   1.5230 0.4469000 2.236000 
1 1 1  -76    4    7 o   3.2530   1.0780   2.9650   1.4180   3.5420   1.6240 -0.5767000 2.156000 
1 1 1  -76    4    8 o   3.4390   1.1030   3.8740   1.6640   3.0030   1.4480 0.8705000 2.206000 
1 1 1  -76    4    9 o   3.3240   1.0870   3.5640   1.5940   3.0840   1.4800 0.4798000 2.175000 
1 1 1  -76    4   10 o   7.6590   1.1980   6.9360   1.7570   8.3820   1.6280 -1.446000 2.395000 
1 1 1  -76    4   11 o   4.0390   1.1890   4.8350   1.8280   3.2420   1.5220 1.593000 2.379000 
1 1 1  -76    4   12 o   2.5870   0.9050   2.6340   1.2980   2.5400   1.2610 0.9381000E-01 1.810000 
1 1 1  -76    4   13 o   2.7300   0.9432   2.4920   1.2400   2.9670   1.4220 -0.4747000 1.886000 
1 1 1  -76    4   14 o   3.2940   1.1100   2.8180   1.3610   3.7710   1.7540 -0.9534000 2.220000 
1 1 1  -76    4   15 o   2.9310   0.9949   3.1220   1.4700   2.7410   1.3400 0.3806000 1.990000 
1 1 1  -76    4   16 o   4.9900   1.2820   4.2210   1.7380   5.7580   1.8840 -1.537000 2.563000 
1 1 1  -76    4   17 o   2.7970   0.9338   2.9520   1.4090   2.6420   1.2260 0.3100000 1.868000 
1 1 1  -76    4   18 o   2.3290   0.7796   2.0540   1.0170   2.6040   1.1820 -0.5497000 1.559000 
1 1 1  -76    6    1 o   3.0530   1.0840   3.1790   1.5860   2.9270   1.4780 0.2524000 2.168000 
1 1 1  -76    6    2 o   3.3010   1.1300   2.9900   1.5040   3.6120   1.6880 -0.6219000 2.261000 
1 1 1  -76    6    3 o   3.3770   1.1520   3.6050   1.6810   3.1480   1.5750 0.4570000 2.303000 
1 1 1  -76    6    4 o   3.1980   1.0870   2.9290   1.4340   3.4660   1.6350 -0.5377000 2.175000 
1 1 1  -76    6    5 o   3.0510   1.0460   3.2500   1.5460   2.8520   1.4080 0.3988000 2.091000 
1 1 1  -76    6    6 o   2.7900   0.9731   2.9560   1.4370   2.6230   1.3120 0.3328000 1.946000 
1 1 1  -76    6    7 o   3.8460   1.2230   3.6140   1.6530   4.0780   1.8040 -0.4639000 2.447000 
1 1 1  -76    6    8 o   3.7610   1.1490   4.7020   1.8300   2.8190   1.3880 1.884000 2.297000 
1 1 1  -76    6    9 o   3.6450   1.1700   3.6210   1.6300   3.6690   1.6790 -0.4816000E-01 2.340000 
1 1 1  -76    6   10 o   5.2590   1.3620   5.2560   1.8870   5.2620   1.9640 -0.5889000E-02 2.723000 
1 1 1  -76    6   11 o   4.4100   1.2910   3.9630   1.7230   4.8570   1.9220 -0.8937000 2.581000 
1 1 1  -76    6   12 o   4.7680   1.3070   5.3010   1.9010   4.2350   1.7950 1.066000 2.614000 
1 1 1  -76    6   13 o   2.5980   0.9185   2.6330   1.3020   2.5640   1.2960 0.6938000E-01 1.837000 
1 1 1  -76    6   14 f   3.4700   1.1290   3.1760   1.5030   3.7640   1.6850 -0.5889000 2.258000 
1 1 1  -76    6   15 o   6.0890   1.3460   6.0910   1.8870   6.0860   1.9200 0.4523000E-02 2.692000 
1 1 1  -76    6   16 o   3.8630   1.1670   4.7860   1.8510   2.9410   1.4200 1.845000 2.333000 
1 1 1  -76    6   17 o   2.2860   0.8261   2.4200   1.2400   2.1510   1.0920 0.2688000 1.652000 
1 1 1  -76    8    1 o   2.7410   0.9710   2.4240   1.2310   3.0580   1.5020 -0.6336000 1.942000 
1 1 1  -76    8    2 o   3.0560   1.0750   3.0410   1.5340   3.0700   1.5080 -0.2875000E-01 2.151000 
1 1 1  -76    8    3 o   3.7440   1.2680   3.4120   1.6340   4.0770   1.9400 -0.6653000 2.536000 
1 1 1  -76    8    4 o   4.9390   1.5640   5.1470   2.2710   4.7310   2.1500 0.4160000 3.127000 
1 1 1  -76    8    5 o   4.0910   1.3730   3.6400   1.7830   4.5410   2.0890 -0.9014000 2.747000 
1 1 1  -76    8    6 o   2.9360   1.0510   2.8470   1.4450   3.0240   1.5260 -0.1767000 2.102000 
1 1 1  -76    8    7 o   3.6720   1.2660   3.0170   1.5190   4.3260   2.0250 -1.309000 2.531000 
1 1 1  -76    8    8 o   5.2290   1.6070   5.4720   2.3250   4.9860   2.2190 0.4858000 3.214000 
1 1 1  -76    8    9 o   4.2170   1.3880   5.3690   2.3050   3.0660   1.5450 2.303000 2.775000 
1 1 1  -76    8   10 o   4.0350   1.3670   4.0120   1.9170   4.0590   1.9480 -0.4649000E-01 2.733000 
1 1 1  -76    8   11 o   3.3590   1.1820   3.2310   1.6180   3.4860   1.7250 -0.2556000 2.365000 
1 1 1  -76    8   12 o   2.6460   0.9580   2.7490   1.4020   2.5420   1.3060 0.2068000 1.916000 
1 1 1  -76    8   13 o   2.9030   1.4730   2.9030   1.4730  ?   ?       ?      ? 
1 1 1  -76    8   14 o   2.6410   0.9585   2.4260   1.2490   2.8560   1.4550 -0.4304000 1.917000 
1 1 1  -76    8   15 o   3.8040   1.1840   4.7660   1.8760   2.8420   1.4450 1.924000 2.368000 
1 1 1  -76    8   16 f   2.6400   0.9263   2.3790   1.1960   2.9010   1.4150 -0.5223000 1.853000 
1 1 1  -76   10    1 o   2.3860   0.8646   2.0890   1.0820   2.6830   1.3490 -0.5941000 1.729000 
1 1 1  -76   10    2 o   2.5440   0.9213   2.7690   1.4120   2.3200   1.1830 0.4498000 1.843000 
1 1 1  -76   10    3 o   2.7060   0.9679   2.7930   1.3950   2.6190   1.3420 0.1741000 1.936000 
1 1 1  -76   10    4 o   3.2650   1.1130   3.6100   1.6940   2.9210   1.4440 0.6893000 2.226000 
1 1 1  -76   10    5 o   3.8770   1.2470   4.2400   1.8640   3.5140   1.6560 0.7259000 2.494000 
1 1 1  -76   10    6 o   2.7860   0.9796   2.7660   1.3760   2.8060   1.3950 -0.4029000E-01 1.959000 
1 1 1  -76   10    7 o   3.1280   1.0740   3.2250   1.5540   3.0310   1.4820 0.1939000 2.147000 
1 1 1  -76   10    8 o   2.9650   1.0280   2.9690   1.4540   2.9600   1.4520 0.9008000E-02 2.055000 
1 1 1  -76   10    9 o   3.0440   1.0460   2.7490   1.3620   3.3400   1.5880 -0.5913000 2.092000 
1 1 1  -76   10   10 o   2.5640   0.9100   2.8660   1.4090   2.2620   1.1520 0.6037000 1.820000 
1 1 1  -76   10   11 o   2.4860   0.8840   2.5980   1.2970   2.3740   1.2010 0.2237000 1.768000 
1 1 1  -76   10   12 o   2.4750   0.8867   2.3660   1.1960   2.5840   1.3100 -0.2178000 1.773000 
1 1 1  -76   10   13 o   2.6680   0.9375   2.4640   1.2370   2.8710   1.4090 -0.4074000 1.875000 
1 1 1  -76   10   14 o   2.2650   0.8271   2.2730   1.1730   2.2570   1.1660 0.1594000E-01 1.654000 
1 1 1  -76   12    3 o   2.4580   1.2660   2.4580   1.2660  ?   ?       ?      ? 
1 1 1  -76   12    4 o   2.3180   0.8461   2.2150   1.1450   2.4200   1.2460 -0.2044000 1.692000 
1 1 1  -76   12    5 o   2.6110   0.9448   2.5750   1.3200   2.6470   1.3520 -0.7163000E-01 1.890000 
1 1 1  -76   12    6 o   2.3360   0.8500   2.3190   1.1940   2.3520   1.2100 -0.3267000E-01 1.700000 
1 1 1  -76   12    7 o   2.4180   0.8799   2.2070   1.1390   2.6280   1.3410 -0.4211000 1.760000 
1 1 1  -76   12    8 o   2.5110   0.9085   2.3310   1.1970   2.6910   1.3670 -0.3598000 1.817000 
1 1 1  -76   12    9 o   2.5160   0.9133   2.1780   1.1230   2.8540   1.4410 -0.6753000 1.827000 
1 1 1  -75    1    1 o   5.8780   1.4700   5.7280   2.2350   6.0270   1.9090 -0.2995000 2.940000 
1 1 1  -75    1    2 o   7.2190   1.0540   8.6820   1.1350   5.7550   1.7770 2.928000 2.108000 
1 1 1  -75    1    3 o   6.8670   0.8346   6.0500   1.3410   7.6840   0.9946 -1.634000 1.669000 
1 1 1  -75    1    4 o   5.2970   1.0480   5.6670   1.4690   4.9270   1.4960 0.7401000 2.096000 
1 1 1  -75    1    5 o   4.2930   1.0160   4.0070   1.4520   4.5790   1.4230 -0.5714000 2.033000 
1 1 1  -75    1    6 o   3.1470   0.9067   3.8590   1.4090   2.4360   1.1410 1.423000 1.813000 
1 1 1  -75    1    7 o   3.8550   0.9887   4.8170   1.5590   2.8930   1.2160 1.924000 1.977000 
1 1 1  -75    1    8 o   6.7590   0.7153   6.6650   1.1030   6.8540   0.9107 -0.1893000 1.431000 
1 1 1  -75    1    9 o   4.4710   0.9959   4.0500   1.3960   4.8930   1.4200 -0.8436000 1.992000 
1 1 1  -75    1   10 o   6.7710   0.8034   6.0860   1.2320   7.4550   1.0320 -1.369000 1.607000 
1 1 1  -75    1   11 o   8.5150   0.6433   7.8880   1.1190   9.1410   0.6352 -1.253000 1.287000 
1 1 1  -75    1   12 o   5.6290   0.9789   5.9400   1.4840   5.3170   1.2770 0.6231000 1.958000 
1 1 1  -75    1   13 o   6.6190   0.7933   6.0720   1.1890   7.1650   1.0500 -1.094000 1.587000 
1 1 1  -75    1   14 o   13.740   0.4431   13.870   0.5625   13.610   0.6849 0.2603000 0.8863000 
1 1 1  -75    1   15 o   3.7320   0.9846   4.1580   1.4040   3.3060   1.3810 0.8529000 1.969000 
1 1 1  -75    1   16 o   9.4110   0.5647   10.160   0.7255   8.6600   0.8654 1.503000 1.129000 
1 1 1  -75    1   17 o   4.2310   1.0990   3.9470   1.5300   4.5150   1.5780 -0.5679000 2.198000 
1 1 1  -75    1   18 o   11.190   0.5881   11.720   0.7973   10.670   0.8647 1.053000 1.176000 
1 1 1  -75    1   19 f   2.9700   0.9281   3.3610   1.4070   2.5780   1.2100 0.7831000 1.856000 
1 1 1  -75    1   20 o   3.7600   1.0420   3.5690   1.4420   3.9510   1.5050 -0.3822000 2.084000 
1 1 1  -75    3    1 o   8.8980   0.7714   9.1120   1.0950   8.6830   1.0870 0.4293000 1.543000 
1 1 1  -75    3    2 o   3.0520   0.9152   2.4450   1.1530   3.6590   1.4220 -1.214000 1.830000 
1 1 1  -75    3    3 o   3.1060   0.9522   3.2360   1.3740   2.9760   1.3190 0.2594000 1.904000 
1 1 1  -75    3    4 o   4.3870   1.2310   3.2300   1.5260   5.5440   1.9330 -2.314000 2.462000 
1 1 1  -75    3    5 f   4.3780   1.2870   4.3200   1.8020   4.4360   1.8390 -0.1163000 2.574000 
1 1 1  -75    3    6 o   5.7570   1.1940   7.5990   1.6640   3.9160   1.7140 3.683000 2.389000 
1 1 1  -75    3    7 o   3.4120   1.0970   2.8330   1.3650   3.9900   1.7170 -1.156000 2.194000 
1 1 1  -75    3    8 o   3.8550   1.1750   3.2150   1.4910   4.4950   1.8160 -1.280000 2.350000 
1 1 1  -75    3    9 o   3.9480   1.1990   3.9060   1.6710   3.9890   1.7210 -0.8212000E-01 2.399000 
1 1 1  -75    3   10 o   3.9430   1.1570   3.0030   1.4250   4.8830   1.8230 -1.880000 2.314000 
1 1 1  -75    3   11 o   3.1150   1.0340   3.3830   1.5450   2.8480   1.3740 0.5347000 2.068000 
1 1 1  -75    3   12 o   3.6990   1.1490   3.9340   1.6750   3.4630   1.5740 0.4707000 2.299000 
1 1 1  -75    3   13 o   3.4700   1.1070   3.5350   1.5660   3.4060   1.5640 0.1288000 2.213000 
1 1 1  -75    3   14 f   2.6640   0.9332   2.6010   1.2780   2.7270   1.3600 -0.1267000 1.866000 
1 1 1  -75    3   15 o   4.0800   1.0530   3.1940   1.4890   4.9660   1.4900 -1.771000 2.106000 
1 1 1  -75    3   16 o   3.2900   0.8983   2.4260   1.1560   4.1550   1.3750 -1.729000 1.797000 
1 1 1  -75    3   17 o   5.4770   0.9309   5.7940   1.2350   5.1600   1.3930 0.6338000 1.862000 
1 1 1  -75    3   18 o   3.6010   0.9926   3.2590   1.3520   3.9430   1.4540 -0.6842000 1.985000 
1 1 1  -75    3   19 o   4.3620   1.0020   5.3440   1.3580   3.3800   1.4720 1.964000 2.003000 
1 1 1  -75    3   20 o   3.5720   1.1240   3.5300   1.5900   3.6140   1.5900 -0.8419000E-01 2.248000 
1 1 1  -75    5    1 o   4.4300   1.0350   3.7900   1.4560   5.0710   1.4720 -1.281000 2.070000 
1 1 1  -75    5    2 o   4.7160   1.4740   5.5900   2.2970   3.8430   1.8460 1.747000 2.947000 
1 1 1  -75    5    3 o   4.1090   1.3400   3.4630   1.6300   4.7550   2.1260 -1.292000 2.679000 
1 1 1  -75    5    4 o   5.8260   1.4000   6.7150   1.9730   4.9370   1.9870 1.778000 2.800000 
1 1 1  -75    5    5 o   4.2110   1.2740   4.7080   1.8810   3.7150   1.7180 0.9922000 2.548000 
1 1 1  -75    5    6 o   3.5960   1.1630   3.9990   1.7450   3.1920   1.5380 0.8072000 2.326000 
1 1 1  -75    5    7 o   4.4290   1.2890   4.9320   1.8870   3.9260   1.7570 1.006000 2.578000 
1 1 1  -75    5    8 o   4.1120   1.1850   2.5390   1.2570   5.6850   2.0100 -3.146000 2.371000 
1 1 1  -75    5    9 o   4.0180   1.2070   4.6620   1.8180   3.3740   1.5870 1.287000 2.413000 
1 1 1  -75    5   10 o   3.9180   1.2230   3.6350   1.6310   4.2010   1.8230 -0.5654000 2.446000 
1 1 1  -75    5   11 o   4.7980   1.3220   5.2850   1.8960   4.3100   1.8440 0.9747000 2.645000 
1 1 1  -75    5   12 o   4.3190   1.2760   4.5320   1.8180   4.1050   1.7920 0.4273000 2.553000 
1 1 1  -75    5   13 o   4.7380   1.2690   5.9760   1.9050   3.5010   1.6770 2.475000 2.538000 
1 1 1  -75    5   14 o   5.4810   1.3560   5.5910   1.8890   5.3700   1.9460 0.2214000 2.712000 
1 1 1  -75    5   15 o   3.2540   1.0750   3.0740   1.4530   3.4340   1.5850 -0.3597000 2.150000 
1 1 1  -75    5   16 o   2.7960   0.9647   2.4790   1.2340   3.1120   1.4830 -0.6331000 1.929000 
1 1 1  -75    5   17 o   6.1590   1.1940   4.1010   1.7330   8.2180   1.6440 -4.118000 2.389000 
1 1 1  -75    5   18 o   5.4570   0.9892   5.6050   1.3580   5.3090   1.4380 0.2958000 1.978000 
1 1 1  -75    5   19 o   2.3150   0.7745   1.9510   0.9707   2.6800   1.2070 -0.7292000 1.549000 
1 1 1  -75    7    1 o   4.9300   1.4980   6.5140   2.4930   3.3460   1.6610 3.167000 2.996000 
1 1 1  -75    7    2 o   3.9120   1.3350   4.1280   1.9660   3.6960   1.8060 0.4317000 2.670000 
1 1 1  -75    7    3 o   3.8470   1.3150   3.9940   1.9120   3.7010   1.8060 0.2921000 2.630000 
1 1 1  -75    7    4 o   3.6890   1.2560   4.1230   1.9640   3.2560   1.5670 0.8672000 2.512000 
1 1 1  -75    7    5 o   3.2010   1.0890   3.4900   1.6350   2.9120   1.4390 0.5774000 2.178000 
1 1 1  -75    7    6 o   4.6460   1.3510   5.0020   1.9470   4.2900   1.8740 0.7120000 2.702000 
1 1 1  -75    7    7 f   4.0060   1.2410   4.6320   1.8910   3.3800   1.6080 1.252000 2.482000 
1 1 1  -75    7    8 o   7.2940   1.2320   9.5090   1.4710   5.0790   1.9770 4.430000 2.464000 
1 1 1  -75    7    9 o   3.0630   1.0450   3.0450   1.4610   3.0810   1.4950 -0.3607000E-01 2.091000 
1 1 1  -75    7   10 o   3.4410   1.1340   2.8930   1.4080   3.9900   1.7770 -1.097000 2.267000 
1 1 1  -75    7   11 o   3.1250   1.0610   2.7100   1.3400   3.5400   1.6460 -0.8304000 2.123000 
1 1 1  -75    7   12 o   4.3620   1.3020   4.2100   1.8020   4.5140   1.8790 -0.3040000 2.603000 
1 1 1  -75    7   13 o   3.5010   1.1300   4.4330   1.8470   2.5690   1.3010 1.864000 2.259000 
1 1 1  -75    7   14 o   4.2730   1.2500   3.1380   1.5760   5.4080   1.9410 -2.270000 2.500000 
1 1 1  -75    7   15 o   2.7790   1.0030   2.4710   1.2680   3.0880   1.5540 -0.6168000 2.005000 
1 1 1  -75    7   16 o   4.2180   1.3970   4.4330   2.0360   4.0040   1.9120 0.4296000 2.793000 
1 1 1  -75    7   17 o   2.5580   0.9256   2.5780   1.3160   2.5380   1.3020 0.4013000E-01 1.851000 
1 1 1  -75    7   18 o   4.9660   1.3350   4.4950   1.8360   5.4370   1.9370 -0.9418000 2.669000 
1 1 1  -75    9    1 o   3.6130   1.1710   4.9110   2.0230   2.3140   1.1820 2.597000 2.343000 
1 1 1  -75    9    2 o   3.8450   1.3170   4.0010   1.9170   3.6890   1.8070 0.3120000 2.635000 
1 1 1  -75    9    3 o   3.5630   1.1930   3.3890   1.6290   3.7380   1.7420 -0.3495000 2.385000 
1 1 1  -75    9    4 f   4.1090   1.2970   3.6910   1.7210   4.5260   1.9410 -0.8351000 2.594000 
1 1 1  -75    9    5 o   5.8250   1.4170   7.0990   2.0690   4.5520   1.9350 2.547000 2.833000 
1 1 1  -75    9    6 o   3.0140   1.0440   3.1310   1.5180   2.8970   1.4340 0.2340000 2.089000 
1 1 1  -75    9    7 o   3.4490   1.1500   3.1280   1.5150   3.7690   1.7310 -0.6402000 2.300000 
1 1 1  -75    9    8 o   4.4600   1.3430   4.2130   1.8380   4.7070   1.9580 -0.4948000 2.686000 
1 1 1  -75    9    9 o   2.6400   0.9366   2.2780   1.1570   3.0010   1.4730 -0.7229000 1.873000 
1 1 1  -75    9   10 o   3.8880   1.2360   3.9190   1.7510   3.8570   1.7460 0.6219000E-01 2.472000 
1 1 1  -75    9   11 o   3.1200   1.0640   3.2790   1.5590   2.9610   1.4470 0.3189000 2.128000 
1 1 1  -75    9   12 o   2.7480   0.9708   2.8230   1.3910   2.6730   1.3550 0.1504000 1.942000 
1 1 1  -75    9   13 o   2.3140   0.8300   2.3070   1.1690   2.3200   1.1780 -0.1326000E-01 1.660000 
1 1 1  -75    9   14 o   3.7290   1.1930   3.5170   1.6240   3.9410   1.7470 -0.4238000 2.386000 
1 1 1  -75    9   15 o   2.9520   1.0160   2.9850   1.4470   2.9180   1.4280 0.6762000E-01 2.033000 
1 1 1  -75    9   16 o   2.6670   0.9348   2.9380   1.4270   2.3950   1.2080 0.5437000 1.870000 
1 1 1  -75    9   17 o   2.1660   1.1190   2.1660   1.1190  ?   ?       ?      ? 
1 1 1  -75   11    1 o   2.8650   1.4600  ?   ?    2.8650   1.4600      ?      ? 
1 1 1  -75   11    2 o   3.0040   1.5230  ?   ?    3.0040   1.5230      ?      ? 
1 1 1  -75   11    3 f   3.0080   1.0770   2.4970   1.2670   3.5200   1.7420 -1.024000 2.154000 
1 1 1  -75   11    4 o   4.1110   1.2830   4.9210   2.0080   3.3010   1.5970 1.619000 2.566000 
1 1 1  -75   11    5 o   3.9410   1.2500   4.8010   1.9920   3.0810   1.5110 1.720000 2.500000 
1 1 1  -75   11    6 o   2.7250   1.3610   2.7250   1.3610  ?   ?       ?      ? 
1 1 1  -75   11    7 o   3.3410   1.1330   3.5110   1.6600   3.1720   1.5410 0.3396000 2.265000 
1 1 1  -75   11    8 o   3.4290   1.1480   3.0120   1.4740   3.8460   1.7620 -0.8338000 2.297000 
1 1 1  -75   11    9 o   2.5890   0.9187   2.9120   1.4300   2.2650   1.1540 0.6464000 1.837000 
1 1 1  -75   11   10 o   2.7170   0.9565   2.3980   1.2120   3.0360   1.4800 -0.6375000 1.913000 
1 1 1  -75   11   11 o   3.1800   1.0780   2.6950   1.3400   3.6640   1.6890 -0.9693000 2.156000 
1 1 1  -75   11   12 o   2.9210   1.0190   3.2070   1.5400   2.6350   1.3350 0.5720000 2.038000 
1 1 1  -75   11   13 o   3.9920   1.2370   4.6420   1.9000   3.3420   1.5850 1.300000 2.475000 
1 1 1  -75   11   14 f   2.1700   0.7843   1.9460   1.0000   2.3940   1.2080 -0.4480000 1.569000 
1 1 1  -75   13    2 o   2.3300   0.8499   2.3030   1.1880   2.3570   1.2160 -0.5403000E-01 1.700000 
1 1 1  -75   13    3 o   2.0910   0.7633   2.1160   1.0870   2.0670   1.0720 0.4854000E-01 1.527000 
1 1 1  -75   13    4 o   2.5700   0.9174   2.5940   1.3060   2.5460   1.2880 0.4789000E-01 1.835000 
1 1 1  -75   13    5 o   2.6940   0.9577   2.9390   1.4550   2.4500   1.2460 0.4885000 1.915000 
1 1 1  -75   13    6 o   2.5020   0.8953   2.6020   1.3100   2.4010   1.2210 0.2015000 1.791000 
1 1 1  -75   13    7 o   2.5120   0.9047   2.5220   1.2760   2.5030   1.2830 0.1873000E-01 1.809000 
1 1 1  -75   13    8 o   2.6590   0.9563   2.7480   1.3920   2.5700   1.3110 0.1788000 1.913000 
1 1 1  -75   13    9 o   2.1050   0.7692   2.0270   1.0490   2.1830   1.1250 -0.1557000 1.538000 
1 1 1  -75   13   10 o   2.1020   1.0840  ?   ?    2.1020   1.0840      ?      ? 
1 1 1  -75   13   11 o   2.0720   1.0750   2.0720   1.0750  ?   ?       ?      ? 
1 1 1  -74    0    1 o   10.260   0.8379   10.260   0.8379   10.260   0.8379 0.000000 0.000000 
1 1 1  -74    0    2 o   3.2890   1.9930   3.2890   1.9930   3.2890   1.9930 0.000000 0.000000 
1 1 1  -74    0    3 o   2.4150   1.6240   2.4150   1.6240   2.4150   1.6240 -0.000000 0.000000 
1 1 1  -74    0    4 o   2.1620   1.4040   2.1620   1.4040   2.1620   1.4040 0.000000 0.000000 
1 1 1  -74    0    5 f   5.2830   1.4990   5.2830   1.4990   5.2830   1.4990 -0.000000 0.000000 
1 1 1  -74    0    6 o   6.2100   1.2010   6.2100   1.2010   6.2100   1.2010 -0.000000 0.000000 
1 1 1  -74    0    7 o   8.5170   0.8152   8.5170   0.8152   8.5170   0.8152 0.000000 0.000000 
1 1 1  -74    0    8 o   6.3520   1.1040   6.3520   1.1040   6.3520   1.1040 -0.000000 0.000000 
1 1 1  -74    0    9 o   6.9220   0.9741   6.9220   0.9741   6.9220   0.9741 -0.000000 0.000000 
1 1 1  -74    0   10 o   1.6440   1.1340   1.6440   1.1340   1.6440   1.1340 0.000000 0.000000 
1 1 1  -74    0   11 o   16.590   0.4326   16.590   0.4326   16.590   0.4326 -0.000000 0.000000 
1 1 1  -74    0   12 o   4.4060   1.5700   4.4060   1.5700   4.4060   1.5700 -0.000000 0.000000 
1 1 1  -74    0   13 o   2.6720   1.5310   2.6720   1.5310   2.6720   1.5310 -0.000000 0.000000 
1 1 1  -74    0   14 o   9.4020   0.7323   9.4020   0.7323   9.4020   0.7323 0.000000 0.000000 
1 1 1  -74    0   15 o   8.4150   1.1950   8.4150   1.1950   8.4150   1.1950 0.000000 0.000000 
1 1 1  -74    0   16 f   10.680   0.9802   10.680   0.9802   10.680   0.9802 -0.000000 0.000000 
1 1 1  -74    0   17 o   14.170   0.5692   14.170   0.5692   14.170   0.5692 -0.000000 0.000000 
1 1 1  -74    0   18 o   1.7410   1.2160   1.7410   1.2160   1.7410   1.2160 0.000000 0.000000 
1 1 1  -74    0   19 o   7.4200   1.1790   7.4200   1.1790   7.4200   1.1790 0.000000 0.000000 
1 1 1  -74    0   20 o   3.1620   1.7670   3.1620   1.7670   3.1620   1.7670 -0.000000 0.000000 
1 1 1  -74    0   21 o   1.9230   1.3250   1.9230   1.3250   1.9230   1.3250 -0.000000 0.000000 
1 1 1  -74    2    1 o   5.7990   1.0980   7.1020   1.4990   4.4960   1.6050 2.606000 2.196000 
1 1 1  -74    2    2 o   6.4380   0.9798   6.4950   1.5170   6.3810   1.2400 0.1133000 1.960000 
1 1 1  -74    2    3 o   9.0160   0.6056   9.6900   0.8291   8.3430   0.8830 1.347000 1.211000 
1 1 1  -74    2    4 o   11.350   0.4945   11.550   0.7892   11.150   0.5960 0.4081000 0.9890000 
1 1 1  -74    2    5 o   10.890   0.5108   10.480   0.7670   11.310   0.6748 -0.8354000 1.022000 
1 1 1  -74    2    6 o   10.020   0.7619   8.3010   1.4010   11.730   0.5992 -3.431000 1.524000 
1 1 1  -74    2    7 o   6.5940   1.2980   6.4160   1.5960   6.7720   2.0460 -0.3562000 2.595000 
1 1 1  -74    2    8 o   6.8520   1.3350   8.4070   1.7210   5.2970   2.0400 3.110000 2.669000 
1 1 1  -74    2    9 o   4.8680   1.3090   6.1420   2.0080   3.5930   1.6800 2.549000 2.618000 
1 1 1  -74    2   10 o   4.6410   1.3320   4.1760   1.7940   5.1060   1.9700 -0.9306000 2.664000 
1 1 1  -74    2   11 o   7.2290   1.2040   7.5020   1.4320   6.9550   1.9360 0.5471000 2.408000 
1 1 1  -74    2   12 o   11.810   0.6877   12.180   0.8847   11.440   1.0530 0.7448000 1.375000 
1 1 1  -74    2   13 o   3.9550   1.1120   4.2540   1.7000   3.6560   1.4340 0.5985000 2.224000 
1 1 1  -74    2   14 o   8.3370   0.6537   8.2450   1.0180   8.4280   0.8200 -0.1827000 1.307000 
1 1 1  -74    2   15 o   9.0340   0.5657   7.9670   0.8852   10.100   0.7047 -2.133000 1.131000 
1 1 1  -74    2   16 o   6.4860   0.8278   7.0020   1.0590   5.9710   1.2720 1.031000 1.656000 
1 1 1  -74    2   17 o   5.6160   0.9593   6.1540   1.2640   5.0780   1.4430 1.076000 1.919000 
1 1 1  -74    2   18 o   2.5750   0.8742   2.2700   1.1190   2.8810   1.3440 -0.6100000 1.748000 
1 1 1  -74    2   19 o   2.7390   0.9051   3.2980   1.4480   2.1790   1.0870 1.119000 1.810000 
1 1 1  -74    2   20 o   2.5750   0.8451   1.9520   0.9765   3.1970   1.3800 -1.245000 1.690000 
1 1 1  -74    2   21 o   3.4780   0.9714   2.5760   1.2150   4.3800   1.5160 -1.804000 1.943000 
1 1 1  -74    4    1 o   5.3050   1.0610   6.1780   1.4690   4.4320   1.5320 1.747000 2.123000 
1 1 1  -74    4    2 o   5.7780   0.9660   5.5740   1.4450   5.9810   1.2820 -0.4071000 1.932000 
1 1 1  -74    4    3 o   3.6840   1.2120   3.9680   1.7590   3.4000   1.6700 0.5676000 2.425000 
1 1 1  -74    4    4 f   6.7200   1.3670   7.6610   1.8400   5.7800   2.0230 1.881000 2.734000 
1 1 1  -74    4    5 o   9.5500   1.1230   10.870   1.2740   8.2270   1.8490 2.646000 2.245000 
1 1 1  -74    4    6 o   5.4200   1.3280   6.2650   1.8760   4.5740   1.8800 1.691000 2.656000 
1 1 1  -74    4    7 o   4.1150   1.2510   3.9750   1.7130   4.2550   1.8230 -0.2794000 2.502000 
1 1 1  -74    4    8 o   4.3870   1.2700   3.8690   1.6830   4.9050   1.9020 -1.036000 2.540000 
1 1 1  -74    4    9 o   3.8380   1.1950   3.5160   1.5930   4.1600   1.7820 -0.6442000 2.390000 
1 1 1  -74    4   10 o   9.0470   1.0530   8.6540   1.5040   9.4410   1.4750 -0.7872000 2.107000 
1 1 1  -74    4   11 o   4.6020   1.8190   4.6020   1.8190  ?   ?       ?      ? 
1 1 1  -74    4   12 o   4.2170   1.2220   3.3170   1.5380   5.1170   1.8990 -1.800000 2.444000 
1 1 1  -74    4   13 o   4.6620   1.3440   4.9240   1.8440   4.4000   1.9550 0.5234000 2.687000 
1 1 1  -74    4   14 o   5.6400   1.3150   4.7030   1.7950   6.5770   1.9230 -1.874000 2.631000 
1 1 1  -74    4   15 o   5.8790   1.3140   6.4170   1.8050   5.3420   1.9090 1.075000 2.627000 
1 1 1  -74    4   16 o   3.8140   1.1110   4.5630   1.7780   3.0650   1.3310 1.498000 2.221000 
1 1 1  -74    4   17 o   3.6960   0.9578   4.7990   1.5080   2.5920   1.1820 2.206000 1.916000 
1 1 1  -74    4   18 o   2.9630   0.9089   3.1700   1.3260   2.7550   1.2430 0.4142000 1.818000 
1 1 1  -74    4   19 o   2.8490   0.8848   3.3920   1.3800   2.3060   1.1080 1.086000 1.770000 
1 1 1  -74    4   20 o   2.8470   0.9217   3.5320   1.4960   2.1620   1.0770 1.370000 1.843000 
1 1 1  -74    6    1 o   6.2510   1.5970   6.1060   2.4180   6.3950   2.0880 -0.2890000 3.195000 
1 1 1  -74    6    2 o   6.4890   1.4940   9.0400   2.3940   3.9380   1.7880 5.101000 2.988000 
1 1 1  -74    6    3 o   5.7560   1.5420   6.0460   2.0400   5.4660   2.3140 0.5806000 3.085000 
1 1 1  -74    6    4 o   4.2930   1.3140   4.3570   1.8580   4.2290   1.8600 0.1275000 2.629000 
1 1 1  -74    6    5 o   6.1890   1.4600   5.6580   2.0070   6.7190   2.1200 -1.061000 2.919000 
1 1 1  -74    6    6 o   5.1710   1.4130   4.5890   1.8930   5.7520   2.0990 -1.164000 2.826000 
1 1 1  -74    6    7 o   5.2160   1.3570   6.0880   1.9670   4.3440   1.8700 1.744000 2.714000 
1 1 1  -74    6    8 o   4.1160   1.2580   3.6410   1.6570   4.5920   1.8920 -0.9503000 2.515000 
1 1 1  -74    6    9 o   5.0870   1.3670   4.9950   1.8890   5.1790   1.9770 -0.1838000 2.734000 
1 1 1  -74    6   10 o   7.5850   1.2960   8.4880   1.6210   6.6820   2.0230 1.806000 2.592000 
1 1 1  -74    6   11 o   6.9580   1.3580   7.0050   1.8440   6.9110   1.9940 0.9411000E-01 2.716000 
1 1 1  -74    6   12 o   4.4930   1.2890   5.0850   1.8970   3.9010   1.7460 1.184000 2.578000 
1 1 1  -74    6   13 o   3.4530   1.1670   2.9200   1.4190   3.9850   1.8540 -1.065000 2.334000 
1 1 1  -74    6   14 o   3.2800   1.0900   2.8360   1.3880   3.7240   1.6820 -0.8880000 2.181000 
1 1 1  -74    6   15 o   3.3480   1.1040   3.7340   1.6780   2.9610   1.4360 0.7729000 2.208000 
1 1 1  -74    6   16 o   2.5230   0.8885   2.4850   1.2400   2.5610   1.2730 -0.7587000E-01 1.777000 
1 1 1  -74    6   17 o   3.5910   1.2070   3.9020   1.8570   3.2790   1.5420 0.6231000 2.414000 
1 1 1  -74    6   18 o   3.5550   1.2280   3.0920   1.5470   4.0180   1.9060 -0.9257000 2.455000 
1 1 1  -74    6   19 o   2.5570   0.8596   2.7150   1.2890   2.3990   1.1370 0.3158000 1.719000 
1 1 1  -74    6   20 o   3.7720   0.9925   4.5610   1.4220   2.9830   1.3850 1.578000 1.985000 
1 1 1  -74    8    1 o   3.5690   1.1910   2.9430   1.4590   4.1940   1.8820 -1.250000 2.381000 
1 1 1  -74    8    2 o   5.2650   1.6220   5.3050   2.3110   5.2260   2.2770 0.7907000E-01 3.245000 
1 1 1  -74    8    3 o   4.8540   1.5370   5.7970   2.4280   3.9120   1.8830 1.885000 3.073000 
1 1 1  -74    8    4 o   3.5400   1.2370   3.7960   1.8520   3.2840   1.6390 0.5120000 2.473000 
1 1 1  -74    8    5 o   3.7060   1.2790   3.4780   1.7250   3.9340   1.8900 -0.4560000 2.559000 
1 1 1  -74    8    6 o   3.2720   1.1560   2.8990   1.4710   3.6460   1.7850 -0.7473000 2.313000 
1 1 1  -74    8    7 o   3.7910   1.3030   3.9470   1.9060   3.6360   1.7780 0.3112000 2.607000 
1 1 1  -74    8    8 o   4.9270   1.5620   5.1660   2.2740   4.6870   2.1410 0.4792000 3.123000 
1 1 1  -74    8    9 o   4.3590   1.4250   3.0890   1.5580   5.6280   2.3870 -2.539000 2.850000 
1 1 1  -74    8   10 o   3.5170   1.2330   3.2190   1.6180   3.8160   1.8610 -0.5979000 2.466000 
1 1 1  -74    8   11 o   3.8610   1.3250   4.5370   2.1120   3.1840   1.6020 1.353000 2.651000 
1 1 1  -74    8   12 o   3.5330   1.7520   3.5330   1.7520  ?   ?       ?      ? 
1 1 1  -74    8   13 o   3.7110   1.2910   3.5450   1.7550   3.8770   1.8930 -0.3313000 2.581000 
1 1 1  -74    8   14 o   3.5710   1.2460   3.5130   1.7370   3.6300   1.7860 -0.1167000 2.492000 
1 1 1  -74    8   15 o   3.2080   1.0970   3.5200   1.6280   2.8950   1.4710 0.6245000 2.194000 
1 1 1  -74    8   16 o   10.210   1.0230   11.730   1.2040   8.6990   1.6550 3.028000 2.047000 
1 1 1  -74    8   17 o   2.6880   0.9413   2.4010   1.2100   2.9740   1.4430 -0.5730000 1.883000 
1 1 1  -74    8   18 o   3.3560   1.1090   3.1450   1.5000   3.5660   1.6350 -0.4207000 2.218000 
1 1 1  -74    8   19 f   2.1340   0.7779   2.1150   1.0920   2.1520   1.1080 -0.3694000E-01 1.556000 
1 1 1  -74   10    1 o   2.6420   0.9540   2.3790   1.2110   2.9040   1.4740 -0.5247000 1.908000 
1 1 1  -74   10    2 o   3.3410   1.1820   3.7840   1.8490   2.8980   1.4720 0.8859000 2.363000 
1 1 1  -74   10    3 o   3.3010   1.1290   3.4490   1.6490   3.1530   1.5430 0.2958000 2.258000 
1 1 1  -74   10    4 o   4.0050   1.2650   3.0470   1.4930   4.9630   2.0440 -1.916000 2.531000 
1 1 1  -74   10    5 o   3.7300   1.2290   3.5340   1.6680   3.9260   1.8050 -0.3914000 2.458000 
1 1 1  -74   10    6 o   4.2990   1.3330   4.4600   1.9050   4.1370   1.8640 0.3234000 2.666000 
1 1 1  -74   10    7 o   3.3110   1.1270   3.3760   1.6100   3.2470   1.5780 0.1287000 2.254000 
1 1 1  -74   10    8 o   2.9670   1.0350   2.7240   1.3570   3.2090   1.5630 -0.4858000 2.070000 
1 1 1  -74   10    9 o   2.8660   1.0020   2.4860   1.2500   3.2470   1.5670 -0.7614000 2.004000 
1 1 1  -74   10   10 o   3.0610   1.0520   3.2340   1.5450   2.8880   1.4280 0.3468000 2.104000 
1 1 1  -74   10   11 o   6.0630   1.4000   6.9520   1.9550   5.1730   2.0040 1.779000 2.800000 
1 1 1  -74   10   12 o   3.9120   1.2720   3.9100   1.7560   3.9150   1.8420 -0.5186000E-02 2.545000 
1 1 1  -74   10   13 o   2.9800   1.0300   3.1780   1.5280   2.7820   1.3810 0.3953000 2.060000 
1 1 1  -74   10   14 o   2.5970   0.9192   2.8020   1.3830   2.3930   1.2110 0.4095000 1.838000 
1 1 1  -74   10   15 o   2.4990   0.8876   2.4050   1.2120   2.5940   1.2970 -0.1886000 1.775000 
1 1 1  -74   10   16 o   2.8530   0.9890   2.5890   1.2910   3.1160   1.4980 -0.5275000 1.978000 
1 1 1  -74   10   17 o   2.5670   0.9222   2.7210   1.3860   2.4130   1.2160 0.3078000 1.844000 
1 1 1  -74   12    1 o   2.7990   1.4300   2.7990   1.4300  ?   ?       ?      ? 
1 1 1  -74   12    2 o   3.4530   1.7240  ?   ?    3.4530   1.7240      ?      ? 
1 1 1  -74   12    3 o   3.5290   1.7580   3.5290   1.7580  ?   ?       ?      ? 
1 1 1  -74   12    4 o   2.9380   1.0550   2.8620   1.4560   3.0140   1.5280 -0.1522000 2.111000 
1 1 1  -74   12    5 o   2.9320   1.0550   3.1850   1.6010   2.6790   1.3730 0.5065000 2.109000 
1 1 1  -74   12    6 o   2.9360   1.0520   3.1690   1.5880   2.7030   1.3790 0.4656000 2.103000 
1 1 1  -74   12    7 o   3.2880   1.1590   3.7330   1.8140   2.8430   1.4430 0.8904000 2.318000 
1 1 1  -74   12    8 o   2.8940   1.0210   2.8160   1.4240   2.9720   1.4640 -0.1562000 2.043000 
1 1 1  -74   12    9 o   2.7570   0.9854   3.0330   1.5190   2.4800   1.2560 0.5525000 1.971000 
1 1 1  -74   12   10 o   3.1020   1.0900   3.1650   1.5660   3.0390   1.5150 0.1259000 2.179000 
1 1 1  -74   12   11 o   2.7930   0.9965   2.9110   1.4590   2.6750   1.3580 0.2362000 1.993000 
1 1 1  -74   12   12 o   3.0260   1.0660   2.8870   1.4490   3.1640   1.5630 -0.2765000 2.131000 
1 1 1  -74   12   13 o   2.6710   0.9558   2.5350   1.2890   2.8080   1.4110 -0.2734000 1.912000 
1 1 1  -74   12   14 o   2.5000   0.8993   2.3750   1.2130   2.6240   1.3280 -0.2499000 1.799000 
1 1 1  -74   14    2 o   2.2150   0.8104   2.1620   1.1190   2.2690   1.1730 -0.1065000 1.621000 
1 1 1  -74   14    3 o   2.4140   0.8692   2.5220   1.2770   2.3060   1.1790 0.2159000 1.738000 
1 1 1  -74   14    4 o   2.4520   0.8817   2.6470   1.3330   2.2570   1.1550 0.3898000 1.763000 
1 1 1  -74   14    5 o   2.5600   0.9163   2.4740   1.2550   2.6470   1.3360 -0.1731000 1.833000 
1 1 1  -74   14    6 o   2.8310   0.9971   2.6560   1.3340   3.0050   1.4820 -0.3497000 1.994000 
1 1 1  -74   14    7 o   2.4110   0.8670   2.5390   1.2830   2.2830   1.1670 0.2568000 1.734000 
1 1 1  -74   14    8 o   2.4530   0.8783   2.5230   1.2720   2.3830   1.2120 0.1405000 1.757000 
1 1 1  -74   14    9 o   2.4700   0.8853   2.2700   1.1570   2.6690   1.3400 -0.3991000 1.771000 
1 1 1  -74   14   10 o   1.9770   0.7194   2.0220   1.0380   1.9320   0.9960 0.8966000E-01 1.439000 
1 1 1  -74   14   11 o   2.2440   1.1610   2.2440   1.1610  ?   ?       ?      ? 
1 1 1  -73    1    1 o   4.2990   1.7980  ?   ?    4.2990   1.7980      ?      ? 
1 1 1  -73    1    2 o   8.5510   0.9732   8.3490   1.3920   8.7520   1.3600 -0.4025000 1.946000 
1 1 1  -73    1    3 o   3.8170   1.0120   3.1790   1.3690   4.4550   1.4910 -1.276000 2.024000 
1 1 1  -73    1    4 o   6.4920   0.9257   5.8750   1.4390   7.1090   1.1650 -1.234000 1.851000 
1 1 1  -73    1    5 o   4.2520   1.0360   4.4020   1.4880   4.1010   1.4410 0.3005000 2.071000 
1 1 1  -73    1    6 o   4.2280   0.9990   4.5870   1.4320   3.8700   1.3940 0.7162000 1.998000 
1 1 1  -73    1    7 o   13.390   0.4418   12.650   0.7508   14.140   0.4660 -1.488000 0.8837000 
1 1 1  -73    1    8 o   11.130   0.5080   12.380   0.8139   9.8800   0.6081 2.498000 1.016000 
1 1 1  -73    1    9 o   3.7670   0.8077   2.3850   1.1360   5.1500   1.1490 -2.765000 1.615000 
1 1 1  -73    1   10 o   3.3540   0.9406   3.6060   1.4240   3.1010   1.2290 0.5056000 1.881000 
1 1 1  -73    1   11 o   10.050   0.5422   9.7850   0.9125   10.310   0.5861 -0.5196000 1.084000 
1 1 1  -73    1   12 o   16.310   0.3342   16.170   0.4900   16.440   0.4547 -0.2661000 0.6685000 
1 1 1  -73    1   13 o   5.6790   0.9279   5.4560   1.3620   5.9020   1.2600 -0.4460000 1.856000 
1 1 1  -73    1   14 o   9.8230   0.5574   9.2400   0.8328   10.410   0.7412 -1.166000 1.115000 
1 1 1  -73    1   15 o   8.2640   0.6719   7.8550   1.0570   8.6720   0.8301 -0.8174000 1.344000 
1 1 1  -73    1   16 o   3.2100   0.9642   2.6770   1.2280   3.7430   1.4870 -1.065000 1.928000 
1 1 1  -73    1   17 o   18.110   0.4277   17.870   0.6610   18.350   0.5429 -0.4861000 0.8554000 
1 1 1  -73    1   18 f   3.2320   0.9930   3.2700   1.4430   3.1950   1.3640 0.7461000E-01 1.986000 
1 1 1  -73    1   19 o   4.5260   1.0570   5.2140   1.4930   3.8390   1.4960 1.375000 2.113000 
1 1 1  -73    1   20 o   2.8790   0.9250   2.6410   1.2420   3.1170   1.3710 -0.4761000 1.850000 
1 1 1  -73    1   21 o   2.2000   0.7655   2.3220   1.1300   2.0780   1.0330 0.2437000 1.531000 
1 1 1  -73    1   22 o   2.2860   0.7893   2.4750   1.1870   2.0960   1.0410 0.3791000 1.579000 
1 1 1  -73    3    1 o   3.7090   1.0730   3.2450   1.4540   4.1730   1.5780 -0.9279000 2.146000 
1 1 1  -73    3    2 o   5.5900   0.9666   6.2490   1.3590   4.9320   1.3750 1.317000 1.933000 
1 1 1  -73    3    3 o   8.9030   0.6538   9.0960   0.9301   8.7100   0.9193 0.3856000 1.308000 
1 1 1  -73    3    4 o   6.0670   1.0660   4.9730   1.9100   7.1600   0.9473 -2.186000 2.132000 
1 1 1  -73    3    5 o   3.7790   1.1960   3.9590   1.7250   3.6000   1.6580 0.3591000 2.392000 
1 1 1  -73    3    6 o   6.0930   1.2980   7.1190   1.7440   5.0680   1.9230 2.051000 2.596000 
1 1 1  -73    3    7 o   3.3490   1.0840   3.7930   1.6500   2.9050   1.4070 0.8888000 2.168000 
1 1 1  -73    3    8 f   4.1360   1.1820   5.0120   1.8030   3.2600   1.5290 1.752000 2.364000 
1 1 1  -73    3    9 o   5.3010   1.2210   6.6910   1.7570   3.9100   1.6960 2.781000 2.442000 
1 1 1  -73    3   10 o   5.2040   1.1650   7.0170   1.7310   3.3910   1.5610 3.625000 2.331000 
1 1 1  -73    3   11 o   11.980   0.7544   12.690   0.9865   11.280   1.1420 1.410000 1.509000 
1 1 1  -73    3   12 o   4.4140   1.2480   4.7300   1.8030   4.0970   1.7250 0.6336000 2.495000 
1 1 1  -73    3   13 o   3.8860   1.1740   3.4130   1.5470   4.3600   1.7650 -0.9469000 2.347000 
1 1 1  -73    3   14 o   4.8720   1.2850   4.7210   1.7970   5.0220   1.8380 -0.3007000 2.571000 
1 1 1  -73    3   15 o   3.5010   1.0030   2.8640   1.2990   4.1370   1.5290 -1.273000 2.006000 
1 1 1  -73    3   16 o   2.9700   0.9105   2.6920   1.2140   3.2480   1.3570 -0.5568000 1.821000 
1 1 1  -73    3   17 o   8.0620   0.6658   7.9110   0.9389   8.2120   0.9444 -0.3013000 1.332000 
1 1 1  -73    3   18 o   3.7520   1.0110   4.0180   1.4380   3.4850   1.4210 0.5321000 2.022000 
1 1 1  -73    3   19 o   5.6420   1.1390   5.8410   1.5500   5.4430   1.6680 0.3973000 2.277000 
1 1 1  -73    3   20 o   6.7270   0.9662   5.7220   1.5850   7.7310   1.1060 -2.009000 1.932000 
1 1 1  -73    3   21 o   2.1740   0.7568   2.1280   1.0510   2.2190   1.0890 -0.9095000E-01 1.514000 
1 1 1  -73    3   22 o   2.0560   0.7348   2.0780   1.0560   2.0340   1.0220 0.4368000E-01 1.470000 
1 1 1  -73    5    1 o   7.8160   0.7425   8.1910   1.0070   7.4400   1.0910 0.7509000 1.485000 
1 1 1  -73    5    2 o   4.5330   1.4360   5.2010   2.2540   3.8660   1.7790 1.335000 2.871000 
1 1 1  -73    5    3 o   3.7410   1.2570   3.3980   1.6040   4.0840   1.9360 -0.6863000 2.514000 
1 1 1  -73    5    4 o   6.3630   1.4180   7.0010   1.9500   5.7250   2.0610 1.276000 2.837000 
1 1 1  -73    5    5 o   3.7370   1.2060   3.9830   1.7610   3.4920   1.6500 0.4912000 2.413000 
1 1 1  -73    5    6 o   4.4400   1.2520   5.6000   1.9420   3.2790   1.5820 2.322000 2.505000 
1 1 1  -73    5    7 o   6.8570   1.3920   6.7480   1.8910   6.9660   2.0430 -0.2180000 2.784000 
1 1 1  -73    5    8 o   5.8180   1.3800   5.9120   1.8980   5.7250   2.0040 0.1877000 2.760000 
1 1 1  -73    5    9 o   4.0000   1.2360   3.9510   1.7140   4.0480   1.7820 -0.9732000E-01 2.473000 
1 1 1  -73    5   10 o   3.9110   1.2370   3.9520   1.7420   3.8700   1.7560 0.8250000E-01 2.474000 
1 1 1  -73    5   11 o   5.9420   1.3670   4.7810   1.8900   7.1030   1.9750 -2.322000 2.734000 
1 1 1  -73    5   12 o   2.9680   1.0200   2.6480   1.3100   3.2890   1.5640 -0.6413000 2.040000 
1 1 1  -73    5   13 o   4.2830   1.3230   3.4070   1.5800   5.1600   2.1220 -1.753000 2.645000 
1 1 1  -73    5   14 o   4.9410   1.2610   6.1810   1.8880   3.7000   1.6720 2.480000 2.522000 
1 1 1  -73    5   15 o   15.080   0.6335   15.000   0.8654   15.160   0.9256 -0.1576000 1.267000 
1 1 1  -73    5   16 o   2.9090   0.9957   2.6090   1.2900   3.2080   1.5170 -0.5984000 1.991000 
1 1 1  -73    5   17 o   11.050   0.7296   10.500   1.2690   11.590   0.7196 -1.083000 1.459000 
1 1 1  -73    5   18 o   4.4900   1.0190   5.5470   1.5120   3.4330   1.3660 2.115000 2.038000 
1 1 1  -73    5   19 o   4.0150   0.9321   2.6360   1.2340   5.3940   1.3970 -2.759000 1.864000 
1 1 1  -73    5   20 o   5.6450   1.0790   6.9680   1.2590   4.3230   1.7540 2.645000 2.159000 
1 1 1  -73    5   21 o   2.9600   0.9781   3.2410   1.4530   2.6790   1.3100 0.5623000 1.956000 
1 1 1  -73    7    1 o   4.0210   1.3710   4.5820   2.1380   3.4600   1.7170 1.122000 2.743000 
1 1 1  -73    7    2 o   5.7540   1.6890   6.2870   2.4870   5.2210   2.2850 1.066000 3.377000 
1 1 1  -73    7    3 o   4.6370   1.4510   4.6400   2.1250   4.6340   1.9770 0.6958000E-02 2.903000 
1 1 1  -73    7    4 o   4.5340   1.3470   5.1310   1.9980   3.9370   1.8060 1.193000 2.693000 
1 1 1  -73    7    5 o   4.6770   1.3640   5.2190   1.9930   4.1360   1.8620 1.082000 2.727000 
1 1 1  -73    7    6 o   6.9920   1.4370   6.7270   1.9860   7.2580   2.0770 -0.5312000 2.874000 
1 1 1  -73    7    7 f   8.1710   1.2650   10.040   1.4270   6.3020   2.0880 3.738000 2.529000 
1 1 1  -73    7    8 o   6.7900   1.3720   7.4360   1.8140   6.1440   2.0590 1.291000 2.744000 
1 1 1  -73    7    9 f   6.0980   1.2270   8.2550   1.6800   3.9420   1.7890 4.313000 2.454000 
1 1 1  -73    7   10 o   3.8670   1.7090   3.8670   1.7090  ?   ?       ?      ? 
1 1 1  -73    7   11 o   3.9500   1.2320   4.3290   1.8090   3.5710   1.6730 0.7571000 2.463000 
1 1 1  -73    7   12 o   3.3770   1.1650   2.6150   1.2990   4.1400   1.9340 -1.524000 2.330000 
1 1 1  -73    7   13 o   4.8470   1.2960   3.4500   1.6020   6.2430   2.0390 -2.793000 2.593000 
1 1 1  -73    7   14 o   3.6220   1.1710   3.9690   1.7470   3.2750   1.5600 0.6940000 2.342000 
1 1 1  -73    7   15 o   4.0720   1.3590   4.7030   2.1220   3.4420   1.7000 1.261000 2.719000 
1 1 1  -73    7   16 o   3.4870   1.2150   3.6610   1.7830   3.3130   1.6500 0.3476000 2.430000 
1 1 1  -73    7   17 o   3.4530   1.2030   3.8540   1.8520   3.0520   1.5360 0.8024000 2.406000 
1 1 1  -73    7   18 f   3.3010   1.0890   3.8630   1.7080   2.7390   1.3520 1.124000 2.179000 
1 1 1  -73    7   19 o   4.8380   0.9962   5.2080   1.4540   4.4680   1.3620 0.7394000 1.992000 
1 1 1  -73    7   20 o   4.2890   1.0030   3.6040   1.4110   4.9750   1.4260 -1.371000 2.006000 
1 1 1  -73    9    1 o   3.7130   1.2310   3.1960   1.5600   4.2310   1.9040 -1.036000 2.462000 
1 1 1  -73    9    2 o   5.6520   1.6090   7.4140   2.6630   3.8900   1.8080 3.524000 3.219000 
1 1 1  -73    9    3 o   3.7060   1.2230   4.2820   1.9000   3.1300   1.5400 1.152000 2.446000 
1 1 1  -73    9    4 o   3.6370   1.2010   4.1350   1.8450   3.1390   1.5370 0.9964000 2.401000 
1 1 1  -73    9    5 o   3.2820   1.1170   3.7320   1.7310   2.8310   1.4120 0.9010000 2.234000 
1 1 1  -73    9    6 o   3.7790   1.2810   3.2930   1.5810   4.2650   2.0160 -0.9719000 2.562000 
1 1 1  -73    9    7 o   3.9200   1.3080   3.7640   1.7280   4.0770   1.9650 -0.3133000 2.617000 
1 1 1  -73    9    8 o   4.9720   1.4460   5.6680   2.0450   4.2770   2.0430 1.391000 2.891000 
1 1 1  -73    9    9 o   3.4300   1.1940   2.9290   1.4270   3.9300   1.9150 -1.002000 2.388000 
1 1 1  -73    9   10 o   3.9900   1.3150   3.8170   1.7110   4.1620   1.9960 -0.3448000 2.629000 
1 1 1  -73    9   11 o   3.9800   1.2950   4.1230   1.7920   3.8370   1.8720 0.2858000 2.591000 
1 1 1  -73    9   12 o   3.5380   1.1430   4.4250   1.8570   2.6520   1.3310 1.773000 2.285000 
1 1 1  -73    9   13 o   3.5280   1.1540   4.1090   1.7940   2.9460   1.4500 1.164000 2.307000 
1 1 1  -73    9   14 o   3.6190   1.1800   3.3620   1.5840   3.8760   1.7490 -0.5135000 2.360000 
1 1 1  -73    9   15 o   3.2670   1.0910   3.7250   1.6870   2.8100   1.3850 0.9148000 2.182000 
1 1 1  -73    9   16 o   3.6930   1.1900   3.2930   1.5610   4.0930   1.7980 -0.7998000 2.381000 
1 1 1  -73    9   17 o   3.3070   1.0970   2.7250   1.3470   3.8890   1.7310 -1.164000 2.194000 
1 1 1  -73    9   18 o   3.0130   1.0350   2.9490   1.4410   3.0770   1.4860 -0.1287000 2.070000 
1 1 1  -73    9   19 o   2.8070   0.9743   2.5680   1.2810   3.0460   1.4680 -0.4776000 1.949000 
1 1 1  -73   11    1 o   2.7410   0.9929   2.7060   1.3870   2.7770   1.4210 -0.7075000E-01 1.986000 
1 1 1  -73   11    2 o   3.7790   1.2810   3.8590   1.8810   3.6990   1.7410 0.1596000 2.563000 
1 1 1  -73   11    3 o   4.6830   1.3290   3.1770   1.5520   6.1900   2.1580 -3.013000 2.658000 
1 1 1  -73   11    4 o   4.0340   1.2740   4.7870   1.9900   3.2810   1.5900 1.506000 2.547000 
1 1 1  -73   11    5 o   2.8350   0.9991   3.0540   1.5010   2.6160   1.3200 0.4380000 1.998000 
1 1 1  -73   11    6 o   3.0910   1.0720   2.9740   1.4620   3.2090   1.5680 -0.2343000 2.145000 
1 1 1  -73   11    7 f   3.5990   1.2010   3.5700   1.6760   3.6290   1.7220 -0.5934000E-01 2.403000 
1 1 1  -73   11    8 o   4.5280   1.3400   5.2570   2.0130   3.8000   1.7700 1.457000 2.680000 
1 1 1  -73   11    9 o   3.7810   1.2310   3.4650   1.6310   4.0960   1.8440 -0.6318000 2.461000 
1 1 1  -73   11   10 o   3.3460   1.1250   3.0610   1.4810   3.6320   1.6950 -0.5709000 2.251000 
1 1 1  -73   11   11 o   2.7660   0.9805   2.5990   1.2990   2.9320   1.4690 -0.3331000 1.961000 
1 1 1  -73   11   12 o   2.5070   0.8926   2.7510   1.3630   2.2620   1.1520 0.4890000 1.785000 
1 1 1  -73   11   13 f   3.2130   1.0900   3.2170   1.5420   3.2080   1.5420 0.8333000E-02 2.181000 
1 1 1  -73   11   14 o   2.8640   0.9963   3.3390   1.5840   2.3880   1.2090 0.9518000 1.993000 
1 1 1  -73   11   15 o   2.9020   1.0060   2.9810   1.4510   2.8230   1.3920 0.1577000 2.011000 
1 1 1  -73   11   16 o   2.8160   1.0010   3.1060   1.5360   2.5260   1.2840 0.5797000 2.002000 
1 1 1  -73   11   17 o   2.4500   0.8837   2.5190   1.2810   2.3800   1.2180 0.1383000 1.767000 
1 1 1  -73   13    1 o   3.8700   1.2730   4.0100   1.8420   3.7290   1.7570 0.2811000 2.546000 
1 1 1  -73   13    2 o   2.8570   1.0310   3.3280   1.6640   2.3860   1.2180 0.9422000 2.062000 
1 1 1  -73   13    3 o   3.5300   1.1930   3.3210   1.6100   3.7380   1.7610 -0.4174000 2.386000 
1 1 1  -73   13    4 o   2.2530   0.8168   2.3660   1.2070   2.1400   1.1010 0.2257000 1.634000 
1 1 1  -73   13    5 o   3.2050   1.1410   3.4840   1.7310   2.9260   1.4870 0.5581000 2.282000 
1 1 1  -73   13    6 f   2.7800   1.0010   2.7510   1.4020   2.8080   1.4280 -0.5729000E-01 2.002000 
1 1 1  -73   13    7 o   3.6340   1.2580   4.1610   1.9710   3.1080   1.5640 1.053000 2.516000 
1 1 1  -73   13    8 o   4.3650   1.4090   5.2220   2.2320   3.5070   1.7190 1.715000 2.817000 
1 1 1  -73   13    9 o   3.2010   1.1270   3.2650   1.6210   3.1370   1.5650 0.1274000 2.253000 
1 1 1  -73   13   10 o   2.7790   0.9935   2.6670   1.3540   2.8920   1.4540 -0.2245000 1.987000 
1 1 1  -73   13   11 o   2.8490   1.0140   2.8470   1.4320   2.8520   1.4360 -0.4104000E-02 2.028000 
1 1 1  -73   13   12 o   2.7810   0.9924   2.5860   1.3140   2.9760   1.4880 -0.3904000 1.985000 
1 1 1  -73   13   13 o   2.3070   0.8290   2.2200   1.1310   2.3950   1.2120 -0.1755000 1.658000 
1 1 1  -73   13   14 o   2.1090   0.7635   2.2180   1.1290   2.0010   1.0280 0.2176000 1.527000 
1 1 1  -73   13   15 o   2.3540   1.2130   2.3540   1.2130  ?   ?       ?      ? 
1 1 1  -73   15    2 o   2.0900   0.7661   2.0840   1.0800   2.0960   1.0870 -0.1208000E-01 1.532000 
1 1 1  -73   15    3 o   2.0660   0.7552   2.1650   1.1120   1.9680   1.0220 0.1970000 1.510000 
1 1 1  -73   15    4 o   3.0320   1.0590   3.1150   1.5290   2.9500   1.4660 0.1648000 2.118000 
1 1 1  -73   15    5 o   2.6590   0.9477   2.6060   1.3150   2.7120   1.3650 -0.1056000 1.895000 
1 1 1  -73   15    6 o   2.4520   0.8815   2.6500   1.3340   2.2530   1.1530 0.3965000 1.763000 
1 1 1  -73   15    7 o   2.5220   0.9036   2.7390   1.3700   2.3060   1.1780 0.4336000 1.807000 
1 1 1  -73   15    8 o   2.4870   0.8906   2.6840   1.3450   2.2900   1.1680 0.3940000 1.781000 
1 1 1  -73   15    9 o   2.0410   0.7422   2.0110   1.0350   2.0700   1.0640 -0.5927000E-01 1.484000 
1 1 1  -73   15   10 o   2.3620   0.8547   2.3140   1.1950   2.4100   1.2220 -0.9621000E-01 1.709000 
1 1 1  -73   15   11 o   1.1470   0.5991   1.1470   0.5991  ?   ?       ?      ? 
1 1 1  -72    0    1 o   3.4170   1.9090   3.4170   1.9090   3.4170   1.9090 -0.000000 0.000000 
1 1 1  -72    0    2 o   5.5790   2.6570   5.5790   2.6570   5.5790   2.6570 -0.000000 0.000000 
1 1 1  -72    0    3 o   2.3020   1.5750   2.3020   1.5750   2.3020   1.5750 -0.000000 0.000000 
1 1 1  -72    0    4 f   4.8770   1.6790   4.8770   1.6790   4.8770   1.6790 -0.000000 0.000000 
1 1 1  -72    0    5 o   2.2300   1.4260   2.2300   1.4260   2.2300   1.4260 -0.000000 0.000000 
1 1 1  -72    0    6 o   1.5450   1.0900   1.5450   1.0900   1.5450   1.0900 -0.000000 0.000000 
1 1 1  -72    0    7 o   2.9940   1.6020   2.9940   1.6020   2.9940   1.6020 -0.000000 0.000000 
1 1 1  -72    0    8 o   12.570   0.5463   12.570   0.5463   12.570   0.5463 -0.000000 0.000000 
1 1 1  -72    0    9 o   4.4180   1.5830   4.4180   1.5830   4.4180   1.5830 0.000000 0.000000 
1 1 1  -72    0   10 o   3.3170   1.6210   3.3170   1.6210   3.3170   1.6210 -0.000000 0.000000 
1 1 1  -72    0   11 o   1.5880   1.1070   1.5880   1.1070   1.5880   1.1070 0.000000 0.000000 
1 1 1  -72    0   12 o   14.980   0.4703   14.980   0.4703   14.980   0.4703 0.000000 0.000000 
1 1 1  -72    0   13 f   4.7580   1.5840   4.7580   1.5840   4.7580   1.5840 -0.000000 0.000000 
1 1 1  -72    0   14 o   4.0630   1.8880   4.0630   1.8880   4.0630   1.8880 -0.000000 0.000000 
1 1 1  -72    0   15 o   7.5010   1.3420   7.5010   1.3420   7.5010   1.3420 -0.000000 0.000000 
1 1 1  -72    0   16 o   2.5150   1.6420   2.5150   1.6420   2.5150   1.6420 -0.000000 0.000000 
1 1 1  -72    0   17 o   4.0430   1.8120   4.0430   1.8120   4.0430   1.8120 -0.000000 0.000000 
1 1 1  -72    0   18 o   7.4100   1.1980   7.4100   1.1980   7.4100   1.1980 -0.000000 0.000000 
1 1 1  -72    0   19 o   2.6100   1.6110   2.6100   1.6110   2.6100   1.6110 -0.000000 0.000000 
1 1 1  -72    0   20 o   17.170   0.6461   17.170   0.6461   17.170   0.6461 -0.000000 0.000000 
1 1 1  -72    0   21 o   2.5330   1.5980   2.5330   1.5980   2.5330   1.5980 -0.000000 0.000000 
1 1 1  -72    0   22 o   4.8260   1.8700   4.8260   1.8700   4.8260   1.8700 -0.000000 0.000000 
1 1 1  -72    0   23 o   2.8950   1.7200   2.8950   1.7200   2.8950   1.7200 -0.000000 0.000000 
1 1 1  -72    2    1 o   3.4980   1.0490   4.0530   1.5940   2.9420   1.3630 1.111000 2.097000 
1 1 1  -72    2    2 o   9.5610   0.7346   9.7230   1.1790   9.3980   0.8764 0.3251000 1.469000 
1 1 1  -72    2    3 o   12.470   0.4362   12.140   0.6436   12.800   0.5889 -0.6624000 0.8723000 
1 1 1  -72    2    4 o   4.9360   1.0000   5.0770   1.5290   4.7940   1.2900 0.2830000 2.000000 
1 1 1  -72    2    5 o   4.2680   1.0180   3.6570   1.4410   4.8790   1.4380 -1.222000 2.036000 
1 1 1  -72    2    6 o   5.2460   1.1440   5.8850   1.7600   4.6080   1.4610 1.277000 2.287000 
1 1 1  -72    2    7 o   3.7250   1.1950   4.0840   1.7680   3.3650   1.6100 0.7190000 2.391000 
1 1 1  -72    2    8 o   3.4620   1.1430   3.4270   1.5900   3.4980   1.6430 -0.7134000E-01 2.287000 
1 1 1  -72    2    9 o   3.6950   1.1940   3.1060   1.4880   4.2840   1.8670 -1.179000 2.387000 
1 1 1  -72    2   10 f   6.2670   1.2970   7.7480   1.7320   4.7860   1.9320 2.962000 2.595000 
1 1 1  -72    2   11 o   9.5810   1.0400   11.510   1.0030   7.6540   1.8220 3.853000 2.079000 
1 1 1  -72    2   12 o   9.1810   0.7240   9.8070   1.1210   8.5540   0.9169 1.253000 1.448000 
1 1 1  -72    2   13 f   4.7820   1.0640   4.6750   1.5090   4.8900   1.4990 -0.2145000 2.128000 
1 1 1  -72    2   14 o   8.6910   0.6403   9.0290   0.9899   8.3540   0.8126 0.6747000 1.281000 
1 1 1  -72    2   15 o   3.7160   0.9441   2.7320   1.2730   4.7010   1.3950 -1.969000 1.888000 
1 1 1  -72    2   16 o   2.8860   0.9016   3.1100   1.3270   2.6620   1.2210 0.4489000 1.803000 
1 1 1  -72    2   17 o   14.260   0.4036   14.480   0.5619   14.030   0.5794 0.4409000 0.8071000 
1 1 1  -72    2   18 o   9.9590   0.6983   10.590   0.9193   9.3310   1.0510 1.255000 1.397000 
1 1 1  -72    2   19 o   2.6110   0.8720   2.3780   1.1650   2.8440   1.2980 -0.4658000 1.744000 
1 1 1  -72    2   20 o   5.4200   1.0550   5.7370   1.4420   5.1030   1.5400 0.6337000 2.109000 
1 1 1  -72    2   21 o   3.1560   0.9801   3.1250   1.3800   3.1870   1.3920 -0.6173000E-01 1.960000 
1 1 1  -72    2   22 o   5.1360   1.0980   4.9290   1.5670   5.3420   1.5390 -0.4139000 2.196000 
1 1 1  -72    2   23 o   3.1790   1.0100   2.7890   1.3220   3.5700   1.5260 -0.7803000 2.019000 
1 1 1  -72    4    1 o   7.3220   0.8506   7.7870   1.1870   6.8570   1.2190 0.9294000 1.701000 
1 1 1  -72    4    2 o   7.6740   0.7521   7.7870   1.0940   7.5610   1.0330 0.2259000 1.504000 
1 1 1  -72    4    3 o   7.2340   1.5780   5.5980   1.9960   8.8700   2.4440 -3.272000 3.155000 
1 1 1  -72    4    4 o   4.6010   1.3570   4.5230   1.8700   4.6790   1.9680 -0.1558000 2.715000 
1 1 1  -72    4    5 o   3.5180   1.1550   3.4540   1.5920   3.5820   1.6730 -0.1282000 2.309000 
1 1 1  -72    4    6 o   3.7070   1.1900   3.5040   1.6050   3.9100   1.7580 -0.4061000 2.381000 
1 1 1  -72    4    7 f   10.910   0.8885   11.030   1.1670   10.790   1.3400 0.2387000 1.777000 
1 1 1  -72    4    8 o   4.2970   1.2700   4.3840   1.7780   4.2090   1.8130 0.1747000 2.540000 
1 1 1  -72    4    9 o   3.6210   1.1600   3.3790   1.5540   3.8620   1.7230 -0.4832000 2.320000 
1 1 1  -72    4   10 o   3.7130   1.1830   3.5850   1.6170   3.8410   1.7260 -0.2565000 2.365000 
1 1 1  -72    4   11 o   8.7240   1.1270   8.0350   1.6280   9.4130   1.5590 -1.378000 2.253000 
1 1 1  -72    4   12 o   7.6500   1.2250   6.5700   1.8340   8.7300   1.6240 -2.160000 2.450000 
1 1 1  -72    4   13 o   5.2520   1.3120   4.1770   1.7510   6.3280   1.9550 -2.151000 2.624000 
1 1 1  -72    4   14 o   5.4390   1.3100   4.5710   1.8000   6.3070   1.9050 -1.736000 2.621000 
1 1 1  -72    4   15 o   5.6570   1.1140   7.9200   1.5750   3.3930   1.5750 4.527000 2.227000 
1 1 1  -72    4   16 o   4.6530   1.1810   4.4320   1.7830   4.8750   1.5490 -0.4438000 2.362000 
1 1 1  -72    4   17 o   9.1110   0.5749   8.3450   0.8542   9.8780   0.7696 -1.533000 1.150000 
1 1 1  -72    4   18 o   9.4720   0.5845   9.9040   0.7684   9.0390   0.8811 0.8652000 1.169000 
1 1 1  -72    4   19 o   6.6960   0.8866   7.6980   1.0440   5.6930   1.4330 2.005000 1.773000 
1 1 1  -72    4   20 o   5.9140   1.0670   4.2690   1.6270   7.5590   1.3810 -3.291000 2.134000 
1 1 1  -72    4   21 o   2.5750   0.8769   2.6100   1.2510   2.5400   1.2290 0.6982000E-01 1.754000 
1 1 1  -72    4   22 o   2.3640   0.8125   2.4900   1.1880   2.2390   1.1090 0.2505000 1.625000 
1 1 1  -72    6    1 o   6.3110   1.2840   8.6130   1.8070   4.0090   1.8260 4.603000 2.569000 
1 1 1  -72    6    2 o   4.5620   1.4280   4.5750   1.9260   4.5490   2.1080 0.2612000E-01 2.856000 
1 1 1  -72    6    3 o   7.3330   1.3260   9.3930   1.6250   5.2730   2.0950 4.120000 2.652000 
1 1 1  -72    6    4 o   5.0440   1.3810   3.9510   1.7760   6.1370   2.1150 -2.186000 2.762000 
1 1 1  -72    6    5 o   4.2850   1.3090   4.6950   1.9180   3.8750   1.7820 0.8202000 2.618000 
1 1 1  -72    6    6 o   4.6980   1.3320   3.5340   1.6460   5.8620   2.0940 -2.328000 2.664000 
1 1 1  -72    6    7 o   3.0980   1.0590   2.3550   1.1900   3.8410   1.7510 -1.486000 2.117000 
1 1 1  -72    6    8 o   4.1650   1.2750   4.2740   1.8060   4.0570   1.7990 0.2169000 2.549000 
1 1 1  -72    6    9 o   4.3770   1.2960   3.6680   1.6660   5.0850   1.9850 -1.418000 2.591000 
1 1 1  -72    6   10 o   5.4300   1.3920   5.8720   1.9470   4.9890   1.9900 0.8830000 2.784000 
1 1 1  -72    6   11 o   4.5990   1.3190   3.7400   1.6850   5.4580   2.0300 -1.718000 2.638000 
1 1 1  -72    6   12 f   5.4120   1.4920   5.1320   1.9360   5.6910   2.2710 -0.5585000 2.984000 
1 1 1  -72    6   13 o   8.2550   1.2310   6.9640   1.8650   9.5460   1.6070 -2.583000 2.462000 
1 1 1  -72    6   14 o   3.8560   1.2120   3.6870   1.6540   4.0260   1.7730 -0.3389000 2.425000 
1 1 1  -72    6   15 f   2.9700   1.0110   3.4000   1.5730   2.5390   1.2710 0.8607000 2.023000 
1 1 1  -72    6   16 o   11.180   0.8618   10.570   1.2290   11.790   1.2090 -1.215000 1.724000 
1 1 1  -72    6   17 o   3.7400   1.2550   4.4220   2.0350   3.0580   1.4680 1.364000 2.509000 
1 1 1  -72    6   18 o   4.8620   1.0650   4.7240   1.6190   5.0010   1.3850 -0.2766000 2.131000 
1 1 1  -72    6   19 o   4.0250   1.0200   4.9300   1.5070   3.1210   1.3760 1.809000 2.040000 
1 1 1  -72    6   20 o   10.760   0.6251   9.6110   1.0390   11.910   0.6952 -2.300000 1.250000 
1 1 1  -72    6   21 o   13.360   0.5611   13.210   0.8008   13.500   0.7861 -0.2888000 1.122000 
1 1 1  -72    6   22 o   3.6500   1.0900   2.9090   1.4530   4.3910   1.6250 -1.482000 2.180000 
1 1 1  -72    8    1 o   3.8400   1.2560   4.0230   1.8240   3.6560   1.7280 0.3664000 2.512000 
1 1 1  -72    8    2 o   4.6720   1.5320   4.7500   2.1990   4.5940   2.1340 0.1559000 3.065000 
1 1 1  -72    8    3 o   6.2510   1.8130   5.7510   2.4600   6.7510   2.6650 -0.9999000 3.627000 
1 1 1  -72    8    4 o   4.0590   1.3880   4.7640   2.2030   3.3540   1.6900 1.410000 2.777000 
1 1 1  -72    8    5 f   4.8530   1.5650   4.6970   2.1720   5.0090   2.2550 -0.3127000 3.131000 
1 1 1  -72    8    6 o   3.6850   1.2820   3.8360   1.8740   3.5330   1.7510 0.3031000 2.564000 
1 1 1  -72    8    7 o   6.4220   1.6340   6.0870   2.4770   6.7560   2.1330 -0.6689000 3.269000 
1 1 1  -72    8    8 o   4.6370   1.3430   3.2050   1.6190   6.0690   2.1440 -2.864000 2.687000 
1 1 1  -72    8    9 o   6.9890   1.6920   7.8450   2.6440   6.1340   2.1130 1.710000 3.385000 
1 1 1  -72    8   10 o   3.8770   1.2750   3.5380   1.7540   4.2160   1.8500 -0.6778000 2.549000 
1 1 1  -72    8   11 o   4.1400   1.4020   4.1130   1.9720   4.1670   1.9920 -0.5403000E-01 2.804000 
1 1 1  -72    8   12 o   4.1350   1.4020   3.8910   1.8960   4.3780   2.0670 -0.4875000 2.805000 
1 1 1  -72    8   13 o   4.9410   1.5720   5.3100   2.3290   4.5720   2.1100 0.7377000 3.143000 
1 1 1  -72    8   14 o   4.4100   1.4610   4.4490   2.0770   4.3710   2.0550 0.7859000E-01 2.921000 
1 1 1  -72    8   15 o   2.9520   1.0320   3.0750   1.4800   2.8280   1.4390 0.2476000 2.064000 
1 1 1  -72    8   16 o   3.8290   1.2100   4.2940   1.8250   3.3630   1.5910 0.9308000 2.421000 
1 1 1  -72    8   17 o   11.760   0.8824   12.520   1.1490   11.000   1.3400 1.521000 1.765000 
1 1 1  -72    8   18 o   4.9700   1.3290   4.0430   1.7590   5.8970   1.9940 -1.855000 2.659000 
1 1 1  -72    8   19 f   4.7720   0.9970   4.6470   1.4790   4.8980   1.3370 -0.2508000 1.994000 
1 1 1  -72    8   20 o   6.0820   0.8916   5.9820   1.2770   6.1810   1.2440 -0.1989000 1.783000 
1 1 1  -72    8   21 o   2.3000   0.8080   2.0580   1.0440   2.5410   1.2330 -0.4831000 1.616000 
1 1 1  -72   10    1 o   4.0600   1.3120   4.0050   1.8380   4.1150   1.8740 -0.1097000 2.624000 
1 1 1  -72   10    2 o   3.2120   1.1230   2.9800   1.5140   3.4440   1.6580 -0.4640000 2.245000 
1 1 1  -72   10    3 o   4.7970   1.3920   5.7960   2.1400   3.7980   1.7790 1.998000 2.783000 
1 1 1  -72   10    4 o   3.7160   1.2260   3.1260   1.5250   4.3050   1.9190 -1.179000 2.452000 
1 1 1  -72   10    5 o   3.3620   1.1430   3.7010   1.7280   3.0240   1.4980 0.6775000 2.287000 
1 1 1  -72   10    6 o   3.0600   1.0640   3.0080   1.4750   3.1130   1.5350 -0.1044000 2.129000 
1 1 1  -72   10    7 o   3.3670   1.1440   3.4600   1.6390   3.2740   1.5980 0.1862000 2.289000 
1 1 1  -72   10    8 o   3.5180   1.1820   2.8000   1.3890   4.2360   1.9140 -1.437000 2.365000 
1 1 1  -72   10    9 f   7.4200   1.3950   8.2940   1.7580   6.5450   2.1660 1.749000 2.789000 
1 1 1  -72   10   10 o   3.4620   1.1550   3.4710   1.6100   3.4530   1.6560 0.1764000E-01 2.310000 
1 1 1  -72   10   11 o   3.1030   1.0840   2.9280   1.4260   3.2790   1.6330 -0.3504000 2.168000 
1 1 1  -72   10   12 o   3.9540   1.2160   4.8860   1.9190   3.0210   1.4920 1.865000 2.431000 
1 1 1  -72   10   13 o   3.4840   1.1610   3.0450   1.4710   3.9220   1.7970 -0.8767000 2.322000 
1 1 1  -72   10   14 o   4.7080   1.3700   4.6200   1.8870   4.7960   1.9860 -0.1766000 2.740000 
1 1 1  -72   10   15 o   3.2560   1.0720   4.3080   1.8260   2.2050   1.1240 2.103000 2.144000 
1 1 1  -72   10   16 o   3.0480   1.0370   3.7090   1.6860   2.3880   1.2080 1.320000 2.074000 
1 1 1  -72   10   17 o   3.7010   1.1680   4.6230   1.8890   2.7790   1.3730 1.845000 2.335000 
1 1 1  -72   10   18 o   2.1560   0.7792   2.0140   1.0330   2.2980   1.1660 -0.2842000 1.558000 
1 1 1  -72   10   19 o   3.1240   1.0940   2.7180   1.3750   3.5290   1.7020 -0.8109000 2.188000 
1 1 1  -72   12    1 o   2.9400   1.0600   2.8980   1.4800   2.9820   1.5180 -0.8438000E-01 2.121000 
1 1 1  -72   12    2 o   2.9750   1.5140  ?   ?    2.9750   1.5140      ?      ? 
1 1 1  -72   12    3 o   3.4790   1.2290   3.4650   1.7340   3.4930   1.7430 -0.2838000E-01 2.458000 
1 1 1  -72   12    4 o   3.5450   1.2440   3.3100   1.6570   3.7800   1.8570 -0.4691000 2.489000 
1 1 1  -72   12    5 o   3.5850   1.2390   3.9970   1.9240   3.1730   1.5620 0.8249000 2.478000 
1 1 1  -72   12    6 o   4.0040   1.2910   3.2780   1.5860   4.7290   2.0380 -1.452000 2.582000 
1 1 1  -72   12    7 o   3.7850   1.2510   3.5520   1.6760   4.0170   1.8580 -0.4654000 2.502000 
1 1 1  -72   12    8 o   3.0620   1.0620   3.1830   1.5410   2.9410   1.4620 0.2420000 2.124000 
1 1 1  -72   12    9 o   3.2500   1.1140   2.9200   1.4410   3.5800   1.6990 -0.6605000 2.228000 
1 1 1  -72   12   10 f   6.4880   1.2420   8.9740   1.7020   4.0030   1.8100 4.972000 2.484000 
1 1 1  -72   12   11 o   4.3990   1.3390   4.4470   1.8900   4.3510   1.8960 0.9549000E-01 2.677000 
1 1 1  -72   12   12 o   4.1300   1.3520   4.3390   1.9730   3.9220   1.8480 0.4175000 2.703000 
1 1 1  -72   12   13 f   3.6520   1.2390   3.1730   1.5730   4.1310   1.9140 -0.9579000 2.478000 
1 1 1  -72   12   14 f   2.3550   0.8541   2.2990   1.1810   2.4100   1.2340 -0.1111000 1.708000 
1 1 1  -72   12   15 o   2.9310   1.0430   2.4470   1.2500   3.4160   1.6690 -0.9692000 2.085000 
1 1 1  -72   12   16 o   3.0160   1.0600   3.0970   1.5320   2.9350   1.4660 0.1619000 2.120000 
1 1 1  -72   12   17 o   2.1310   0.7695   2.0880   1.0680   2.1740   1.1080 -0.8660000E-01 1.539000 
1 1 1  -72   14    1 o   2.9890   1.0590   3.1220   1.5390   2.8550   1.4550 0.2672000 2.118000 
1 1 1  -72   14    2 o   3.1210   1.1030   3.2470   1.6280   2.9960   1.4880 0.2516000 2.206000 
1 1 1  -72   14    3 o   2.6480   0.9463   2.6160   1.3230   2.6810   1.3540 -0.6511000E-01 1.893000 
1 1 1  -72   14    4 o   2.8640   1.0130   2.9000   1.4470   2.8280   1.4180 0.7139000E-01 2.026000 
1 1 1  -72   14    5 o   3.5200   1.1930   3.2140   1.5720   3.8270   1.7940 -0.6131000 2.386000 
1 1 1  -72   14    6 o   3.1080   1.0810   3.6340   1.7220   2.5810   1.3060 1.052000 2.161000 
1 1 1  -72   14    7 o   5.2240   1.4700   4.6620   1.9920   5.7850   2.1630 -1.123000 2.940000 
1 1 1  -72   14    8 o   3.5450   1.1760   2.8070   1.4000   4.2830   1.8900 -1.475000 2.353000 
1 1 1  -72   14    9 o   2.7330   0.9672   3.0180   1.4820   2.4480   1.2430 0.5702000 1.934000 
1 1 1  -72   14   10 o   2.7020   0.9654   2.4690   1.2480   2.9350   1.4740 -0.4658000 1.931000 
1 1 1  -72   14   11 o   2.7180   0.9590   2.6870   1.3420   2.7480   1.3710 -0.6092000E-01 1.918000 
1 1 1  -72   14   12 f   3.7500   1.1950   2.7320   1.3610   4.7670   1.9650 -2.035000 2.390000 
1 1 1  -72   14   13 o   2.2170   0.8002   2.3250   1.1800   2.1100   1.0810 0.2146000 1.600000 
1 1 1  -72   14   14 o   2.5180   0.8961   2.3360   1.1850   2.7000   1.3450 -0.3641000 1.792000 
1 1 1  -72   16    2 o   2.0620   1.0690   2.0620   1.0690  ?   ?       ?      ? 
1 1 1  -72   16    3 o   2.6260   0.9488   2.4840   1.2630   2.7680   1.4160 -0.2841000 1.898000 
1 1 1  -72   16    4 o   2.3840   0.8600   2.3700   1.2090   2.3980   1.2230 -0.2773000E-01 1.720000 
1 1 1  -72   16    5 o   2.5270   0.9070   2.4990   1.2690   2.5550   1.2960 -0.5619000E-01 1.814000 
1 1 1  -72   16    6 o   2.2810   0.8259   2.3620   1.2060   2.2010   1.1290 0.1615000 1.652000 
1 1 1  -72   16    7 o   2.9470   1.0340   3.0780   1.5160   2.8150   1.4080 0.2624000 2.069000 
1 1 1  -72   16    8 o   2.0160   0.7349   1.9840   1.0240   2.0480   1.0540 -0.6318000E-01 1.470000 
1 1 1  -72   16    9 o   2.3530   0.8530   2.4740   1.2540   2.2320   1.1570 0.2411000 1.706000 
1 1 1  -72   16   10 o   2.1180   1.0980   2.1180   1.0980  ?   ?       ?      ? 
1 1 1  -71    1    1 o   5.6830   1.3560   5.3690   1.8530   5.9970   1.9810 -0.6283000 2.712000 
1 1 1  -71    1    2 o   4.7800   1.0480   3.7080   1.5510   5.8510   1.4100 -2.143000 2.096000 
1 1 1  -71    1    3 o   4.0760   1.0660   3.9430   1.4660   4.2100   1.5490 -0.2665000 2.133000 
1 1 1  -71    1    4 o   5.0450   1.0440   5.5820   1.4440   4.5090   1.5080 1.073000 2.088000 
1 1 1  -71    1    5 o   8.8290   0.6288   8.2220   0.9718   9.4370   0.7984 -1.215000 1.258000 
1 1 1  -71    1    6 o   4.2650   0.9678   3.9980   1.4030   4.5330   1.3330 -0.5350000 1.936000 
1 1 1  -71    1    7 o   3.2570   0.9407   3.6060   1.4330   2.9090   1.2190 0.6973000 1.881000 
1 1 1  -71    1    8 o   9.0400   0.5414   8.6730   0.8875   9.4080   0.6202 -0.7350000 1.083000 
1 1 1  -71    1    9 o   2.8950   0.8716   2.6780   1.2330   3.1120   1.2330 -0.4342000 1.743000 
1 1 1  -71    1   10 o   2.9600   0.8653   2.5370   1.1910   3.3830   1.2550 -0.8453000 1.731000 
1 1 1  -71    1   11 o   3.4850   0.9802   4.1770   1.5530   2.7920   1.1960 1.385000 1.960000 
1 1 1  -71    1   12 o   4.2880   0.9656   3.7690   1.3970   4.8070   1.3340 -1.039000 1.931000 
1 1 1  -71    1   13 o   2.5860   0.8358   2.1330   1.0400   3.0390   1.3080 -0.9058000 1.672000 
1 1 1  -71    1   14 o   10.050   0.6043   10.660   0.8731   9.4500   0.8357 1.211000 1.209000 
1 1 1  -71    1   15 o   2.9460   0.8941   3.4350   1.3720   2.4570   1.1470 0.9777000 1.788000 
1 1 1  -71    1   16 o   3.6560   1.0450   3.6390   1.4900   3.6720   1.4660 -0.3318000E-01 2.090000 
1 1 1  -71    1   17 o   4.8850   1.0790   3.9560   1.5460   5.8150   1.5050 -1.859000 2.158000 
1 1 1  -71    1   18 o   9.9080   0.5995   10.570   0.7946   9.2420   0.8979 1.330000 1.199000 
1 1 1  -71    1   19 o   2.5000   0.8459   2.4730   1.1880   2.5280   1.2040 -0.5525000E-01 1.692000 
1 1 1  -71    1   20 o   14.420   0.4472   14.240   0.6416   14.600   0.6232 -0.3632000 0.8945000 
1 1 1  -71    1   21 o   12.170   0.5343   11.430   0.7953   12.900   0.7136 -1.471000 1.069000 
1 1 1  -71    1   22 o   2.6050   0.8745   2.5940   1.2310   2.6160   1.2430 -0.2262000E-01 1.749000 
1 1 1  -71    1   23 o   5.9870   1.0470   6.1490   1.4540   5.8240   1.5070 0.3248000 2.093000 
1 1 1  -71    1   24 o   2.1030   1.0820  ?   ?    2.1030   1.0820      ?      ? 
1 1 1  -71    3    1 o   4.0770   1.0880   4.5600   1.5770   3.5940   1.4990 0.9654000 2.176000 
1 1 1  -71    3    2 o   7.6020   0.7619   8.8590   1.0120   6.3460   1.1390 2.513000 1.524000 
1 1 1  -71    3    3 o   8.2930   0.7060   8.0060   1.0300   8.5810   0.9656 -0.5752000 1.412000 
1 1 1  -71    3    4 o   3.8790   1.0990   3.9370   1.7290   3.8210   1.3580 0.1156000 2.199000 
1 1 1  -71    3    5 o   6.9780   1.3220   7.2300   1.7270   6.7250   2.0030 0.5044000 2.644000 
1 1 1  -71    3    6 o   4.5280   1.2710   4.9910   1.8320   4.0650   1.7620 0.9267000 2.542000 
1 1 1  -71    3    7 o   7.1670   1.2020   7.8350   1.5270   6.4980   1.8560 1.337000 2.403000 
1 1 1  -71    3    8 o   4.0040   1.2050   3.7420   1.6360   4.2660   1.7690 -0.5241000 2.410000 
1 1 1  -71    3    9 o   4.5630   1.2520   4.5430   1.7440   4.5840   1.7970 -0.4112000E-01 2.504000 
1 1 1  -71    3   10 o   5.9140   1.2310   6.9720   1.6410   4.8560   1.8340 2.115000 2.461000 
1 1 1  -71    3   11 o   6.2330   1.2700   5.7840   1.8030   6.6810   1.7880 -0.8968000 2.539000 
1 1 1  -71    3   12 o   7.6710   1.1270   9.2240   1.3020   6.1180   1.8400 3.107000 2.254000 
1 1 1  -71    3   13 o   3.1610   1.0440   2.7260   1.3260   3.5950   1.6120 -0.8686000 2.088000 
1 1 1  -71    3   14 f   4.7310   1.1720   5.6140   1.7940   3.8480   1.5080 1.766000 2.344000 
1 1 1  -71    3   15 o   5.7060   0.9845   4.1560   1.7160   7.2560   0.9662 -3.099000 1.969000 
1 1 1  -71    3   16 f   4.9830   0.9863   5.2080   1.3720   4.7570   1.4170 0.4508000 1.973000 
1 1 1  -71    3   17 o   3.2060   0.9622   3.1880   1.3540   3.2230   1.3670 -0.3440000E-01 1.924000 
1 1 1  -71    3   18 o   9.1530   0.6855   8.4860   0.9470   9.8210   0.9914 -1.335000 1.371000 
1 1 1  -71    3   19 o   3.6430   1.0820   3.8230   1.5570   3.4640   1.5020 0.3587000 2.164000 
1 1 1  -71    3   20 o   2.6620   0.8793   2.1960   1.0800   3.1290   1.3880 -0.9325000 1.759000 
1 1 1  -71    3   21 o   6.9450   0.9040   6.5820   1.3430   7.3090   1.2100 -0.7271000 1.808000 
1 1 1  -71    3   22 o   4.6340   1.1460   3.7370   1.5690   5.5300   1.6710 -1.793000 2.292000 
1 1 1  -71    3   23 o   3.9180   1.1040   4.1660   1.5610   3.6710   1.5620 0.4950000 2.209000 
1 1 1  -71    5    1 o   2.8590   0.9067   2.6470   1.2380   3.0710   1.3250 -0.4240000 1.813000 
1 1 1  -71    5    2 o   7.8920   1.3910   6.4340   2.0440   9.3490   1.8870 -2.915000 2.782000 
1 1 1  -71    5    3 o   6.8900   1.4850   6.6250   2.0200   7.1540   2.1780 -0.5285000 2.971000 
1 1 1  -71    5    4 o   5.6220   1.2850   7.5230   1.8950   3.7200   1.7360 3.803000 2.570000 
1 1 1  -71    5    5 o   3.8230   1.2270   3.6820   1.6770   3.9640   1.7920 -0.2822000 2.455000 
1 1 1  -71    5    6 o   6.7950   1.3480   5.6990   1.9400   7.8910   1.8720 -2.191000 2.696000 
1 1 1  -71    5    7 o   5.8030   1.3660   4.5610   1.8520   7.0450   2.0090 -2.483000 2.732000 
1 1 1  -71    5    8 o   5.2030   1.3540   4.4620   1.8050   5.9430   2.0180 -1.480000 2.707000 
1 1 1  -71    5    9 o   4.0730   1.2530   3.9810   1.7310   4.1650   1.8110 -0.1839000 2.505000 
1 1 1  -71    5   10 o   4.3210   1.2800   4.6130   1.8410   4.0290   1.7790 0.5838000 2.560000 
1 1 1  -71    5   11 o   12.130   0.8271   11.900   1.1350   12.350   1.2030 -0.4516000 1.654000 
1 1 1  -71    5   12 o   8.1550   1.4200   7.4910   1.7700   8.8180   2.2210 -1.327000 2.840000 
1 1 1  -71    5   13 o   7.4980   1.2870   7.3310   1.7900   7.6660   1.8490 -0.3359000 2.574000 
1 1 1  -71    5   14 o   6.0900   1.3600   5.9400   1.8720   6.2400   1.9730 -0.2999000 2.720000 
1 1 1  -71    5   15 o   3.8240   1.1900   3.8480   1.6700   3.8000   1.6950 0.4859000E-01 2.380000 
1 1 1  -71    5   16 o   9.6790   0.9946   10.120   1.2770   9.2350   1.5250 0.8874000 1.989000 
1 1 1  -71    5   17 o   3.9740   1.0060   4.9140   1.5450   3.0330   1.2890 1.881000 2.012000 
1 1 1  -71    5   18 o   3.1560   0.9345   2.5590   1.1890   3.7520   1.4420 -1.193000 1.869000 
1 1 1  -71    5   19 o   2.4710   0.8369   2.6610   1.2520   2.2810   1.1100 0.3809000 1.674000 
1 1 1  -71    5   20 o   12.050   0.7501   12.500   1.0110   11.590   1.1080 0.9015000 1.500000 
1 1 1  -71    5   21 o   7.7030   0.8462   7.8020   1.1170   7.6040   1.2720 0.1977000 1.692000 
1 1 1  -71    5   22 o   2.8500   0.9219   2.9680   1.3350   2.7310   1.2720 0.2375000 1.844000 
1 1 1  -71    5   23 o   2.0870   0.7361   1.9350   0.9808   2.2390   1.0980 -0.3047000 1.472000 
1 1 1  -71    7    1 o   4.4420   1.4700   3.5960   1.7840   5.2890   2.3380 -1.693000 2.941000 
1 1 1  -71    7    2 o   4.7850   1.5400   5.2910   2.3110   4.2780   2.0350 1.013000 3.079000 
1 1 1  -71    7    3 o   7.5150   1.4150   8.9800   1.7900   6.0490   2.1930 2.931000 2.831000 
1 1 1  -71    7    4 o   5.8370   1.2980   7.9230   1.9200   3.7520   1.7480 4.171000 2.597000 
1 1 1  -71    7    5 o   3.6510   1.2020   3.6610   1.6980   3.6410   1.7030 0.2039000E-01 2.405000 
1 1 1  -71    7    6 o   4.3130   1.3230   4.3600   1.8560   4.2660   1.8870 0.9363000E-01 2.647000 
1 1 1  -71    7    7 o   7.7800   1.3110   9.4020   1.5430   6.1570   2.1190 3.246000 2.621000 
1 1 1  -71    7    8 o   5.6020   1.3870   6.5350   1.9650   4.6690   1.9580 1.865000 2.774000 
1 1 1  -71    7    9 o   7.3530   1.3290   8.8200   1.6120   5.8850   2.1130 2.936000 2.658000 
1 1 1  -71    7   10 o   4.7070   1.2570   6.1110   1.9510   3.3030   1.5840 2.808000 2.513000 
1 1 1  -71    7   11 o   6.4770   1.5200   6.6520   1.9260   6.3030   2.3520 0.3493000 3.040000 
1 1 1  -71    7   12 o   3.7630   1.2050   3.0480   1.4720   4.4790   1.9080 -1.431000 2.410000 
1 1 1  -71    7   13 o   3.8330   1.2170   3.4130   1.5920   4.2540   1.8410 -0.8408000 2.434000 
1 1 1  -71    7   14 o   3.0550   1.0410   3.3060   1.5550   2.8030   1.3850 0.5033000 2.082000 
1 1 1  -71    7   15 o   3.9650   1.2980   4.0610   1.9280   3.8690   1.7380 0.1918000 2.595000 
1 1 1  -71    7   16 o   3.9050   1.3280   3.7450   1.8190   4.0650   1.9350 -0.3197000 2.655000 
1 1 1  -71    7   17 o   4.0390   1.3590   3.9530   1.8990   4.1250   1.9440 -0.1718000 2.718000 
1 1 1  -71    7   18 o   6.5180   0.8800   5.9890   1.3280   7.0470   1.1550 -1.059000 1.760000 
1 1 1  -71    7   19 o   2.9440   0.8960   3.5030   1.3870   2.3850   1.1350 1.118000 1.792000 
1 1 1  -71    7   20 o   9.8060   0.6349   10.450   0.9165   9.1680   0.8790 1.278000 1.270000 
1 1 1  -71    7   21 o   12.690   0.7114   12.450   1.1440   12.920   0.8457 -0.4695000 1.423000 
1 1 1  -71    7   22 o   12.870   0.4688   13.300   0.6491   12.430   0.6767 0.8715000 0.9377000 
1 1 1  -71    9    1 o   3.9330   1.2770   3.8110   1.7580   4.0550   1.8540 -0.2440000 2.555000 
1 1 1  -71    9    2 o   3.9010   1.3330   4.4860   2.1110   3.3170   1.6280 1.170000 2.666000 
1 1 1  -71    9    3 o   6.1300   1.5380   6.6440   2.1170   5.6160   2.2320 1.028000 3.076000 
1 1 1  -71    9    4 o   5.9550   1.4510   7.1870   2.0890   4.7230   2.0150 2.464000 2.902000 
1 1 1  -71    9    5 o   3.4850   1.2030   3.3620   1.6140   3.6080   1.7840 -0.2459000 2.406000 
1 1 1  -71    9    6 o   4.6170   1.5130   3.9620   1.9310   5.2720   2.3310 -1.310000 3.027000 
1 1 1  -71    9    7 o   3.9420   1.3630   4.0030   1.9580   3.8800   1.8960 0.1233000 2.725000 
1 1 1  -71    9    8 o   5.1100   1.6480   5.6520   2.4830   4.5680   2.1670 1.084000 3.296000 
1 1 1  -71    9    9 o   8.4550   1.5470   12.440   2.2560   4.4700   2.1170 7.970000 3.094000 
1 1 1  -71    9   10 o   4.5100   1.5070   4.6160   2.1700   4.4050   2.0910 0.2112000 3.013000 
1 1 1  -71    9   11 o   5.1970   1.9590   5.1970   1.9590  ?   ?       ?      ? 
1 1 1  -71    9   12 o   3.8360   1.3010   3.3190   1.5710   4.3540   2.0750 -1.035000 2.603000 
1 1 1  -71    9   13 o   3.8110   1.2290   3.7860   1.7030   3.8360   1.7720 -0.4971000E-01 2.458000 
1 1 1  -71    9   14 o   4.0220   1.2660   3.8500   1.7170   4.1940   1.8610 -0.3431000 2.532000 
1 1 1  -71    9   15 o   5.4090   1.4140   4.9940   1.9230   5.8240   2.0730 -0.8298000 2.827000 
1 1 1  -71    9   16 o   3.2350   1.0950   2.9960   1.4540   3.4750   1.6390 -0.4783000 2.191000 
1 1 1  -71    9   17 o   5.4940   1.3440   4.1650   1.8010   6.8220   1.9960 -2.656000 2.688000 
1 1 1  -71    9   18 o   3.1470   1.0510   3.9670   1.7410   2.3270   1.1780 1.639000 2.102000 
1 1 1  -71    9   19 o   2.6650   0.9062   2.6600   1.2350   2.6700   1.3260 -0.9363000E-02 1.812000 
1 1 1  -71    9   20 o   2.4560   0.8157   2.0890   1.0260   2.8230   1.2690 -0.7335000 1.631000 
1 1 1  -71    9   21 o   3.1330   0.9676   2.9890   1.3400   3.2770   1.3960 -0.2877000 1.935000 
1 1 1  -71   11    1 o   4.6520   1.4130   3.7990   1.7870   5.5040   2.1890 -1.705000 2.826000 
1 1 1  -71   11    2 o   3.8150   1.3050   3.9630   1.9370   3.6670   1.7500 0.2963000 2.610000 
1 1 1  -71   11    3 o   3.7840   1.2530   4.1130   1.8640   3.4560   1.6740 0.6573000 2.506000 
1 1 1  -71   11    4 o   4.3170   1.3370   3.3490   1.6110   5.2860   2.1330 -1.937000 2.673000 
1 1 1  -71   11    5 o   5.0030   1.4500   5.4610   2.1020   4.5450   1.9980 0.9163000 2.900000 
1 1 1  -71   11    6 o   5.8570   1.5100   6.2190   2.1060   5.4950   2.1650 0.7240000 3.021000 
1 1 1  -71   11    7 o   4.0980   1.3080   3.1800   1.5450   5.0170   2.1110 -1.837000 2.616000 
1 1 1  -71   11    8 o   9.1300   1.3170   11.030   1.4320   7.2260   2.2110 3.809000 2.634000 
1 1 1  -71   11    9 o   4.8160   1.4160   4.9210   1.9810   4.7110   2.0250 0.2105000 2.833000 
1 1 1  -71   11   10 o   6.7140   1.4370   7.1030   1.9140   6.3250   2.1440 0.7785000 2.875000 
1 1 1  -71   11   11 o   4.1050   1.2790   3.3170   1.5710   4.8930   2.0180 -1.577000 2.558000 
1 1 1  -71   11   12 f   3.6910   1.2080   3.3960   1.5980   3.9850   1.8120 -0.5898000 2.416000 
1 1 1  -71   11   13 o   4.1210   1.2860   3.7380   1.6990   4.5040   1.9310 -0.7660000 2.572000 
1 1 1  -71   11   14 o   3.8850   1.2320   4.2160   1.8130   3.5540   1.6680 0.6618000 2.464000 
1 1 1  -71   11   15 o   2.7080   0.9543   2.3150   1.1750   3.1010   1.5040 -0.7856000 1.909000 
1 1 1  -71   11   16 o   3.5620   1.1890   3.4460   1.6740   3.6780   1.6910 -0.2316000 2.379000 
1 1 1  -71   11   17 o   3.1790   1.1120   2.8930   1.4520   3.4660   1.6850 -0.5728000 2.224000 
1 1 1  -71   11   18 o   3.0730   1.0790   3.4410   1.6700   2.7050   1.3680 0.7357000 2.159000 
1 1 1  -71   11   19 o   2.6630   0.9003   2.4990   1.2730   2.8280   1.2730 -0.3294000 1.801000 
1 1 1  -71   13    1 o   4.2690   1.3010   2.7880   1.4020   5.7490   2.1920 -2.962000 2.602000 
1 1 1  -71   13    2 o   3.7670   1.2960   4.6390   2.1490   2.8960   1.4490 1.744000 2.592000 
1 1 1  -71   13    3 f   3.8570   1.3160   3.7250   1.7700   3.9890   1.9490 -0.2639000 2.633000 
1 1 1  -71   13    4 o   5.5050   1.6980   5.6400   2.4310   5.3700   2.3730 0.2705000 3.397000 
1 1 1  -71   13    5 o   4.9240   1.5920   5.0670   2.2880   4.7800   2.2150 0.2871000 3.184000 
1 1 1  -71   13    6 o   3.6230   1.2660   3.7360   1.8290   3.5110   1.7500 0.2249000 2.531000 
1 1 1  -71   13    7 o   3.6010   1.2590   3.4760   1.7180   3.7250   1.8400 -0.2487000 2.517000 
1 1 1  -71   13    8 o   3.3550   1.1800   3.4360   1.6940   3.2740   1.6420 0.1623000 2.359000 
1 1 1  -71   13    9 o   4.5090   1.4400   5.6250   2.3320   3.3940   1.6890 2.231000 2.879000 
1 1 1  -71   13   10 o   3.4650   1.2020   3.2550   1.6120   3.6740   1.7850 -0.4187000 2.405000 
1 1 1  -71   13   11 o   3.5540   1.2220   3.1850   1.5770   3.9240   1.8690 -0.7398000 2.445000 
1 1 1  -71   13   12 o   4.1050   1.3490   3.7960   1.8040   4.4140   2.0050 -0.6180000 2.698000 
1 1 1  -71   13   13 o   3.4380   1.1870   3.9030   1.8490   2.9730   1.4890 0.9299000 2.374000 
1 1 1  -71   13   14 o   3.3660   1.1300   3.7990   1.7360   2.9340   1.4470 0.8651000 2.260000 
1 1 1  -71   13   15 f   3.0760   1.0560   2.9410   1.4400   3.2120   1.5450 -0.2718000 2.112000 
1 1 1  -71   13   16 o   3.7440   1.2010   3.1300   1.5120   4.3590   1.8650 -1.229000 2.401000 
1 1 1  -71   13   17 o   3.0080   1.0330   3.3460   1.5830   2.6690   1.3280 0.6761000 2.067000 
1 1 1  -71   15    1 o   2.8710   1.0260   2.9940   1.5160   2.7470   1.3840 0.2474000 2.053000 
1 1 1  -71   15    2 o   2.8210   1.0090   2.8790   1.4630   2.7640   1.3900 0.1144000 2.018000 
1 1 1  -71   15    3 o   2.6210   0.9396   2.8610   1.4320   2.3820   1.2180 0.4787000 1.879000 
1 1 1  -71   15    4 o   4.4610   1.3910   4.5920   1.9890   4.3310   1.9450 0.2611000 2.782000 
1 1 1  -71   15    5 o   3.5210   1.1950   3.5160   1.6840   3.5260   1.6960 -0.1014000E-01 2.390000 
1 1 1  -71   15    6 o   2.7520   0.9773   2.7920   1.3990   2.7130   1.3650 0.7904000E-01 1.955000 
1 1 1  -71   15    7 o   2.9690   1.0430   2.4540   1.2480   3.4830   1.6720 -1.029000 2.086000 
1 1 1  -71   15    8 o   2.7330   0.9707   2.8240   1.4130   2.6420   1.3320 0.1826000 1.941000 
1 1 1  -71   15    9 o   3.7510   1.2380   4.0230   1.8350   3.4800   1.6620 0.5424000 2.476000 
1 1 1  -71   15   10 o   3.2600   1.1210   3.7370   1.7410   2.7830   1.4130 0.9536000 2.242000 
1 1 1  -71   15   11 o   3.2930   1.1160   2.5960   1.3040   3.9910   1.8110 -1.395000 2.232000 
1 1 1  -71   15   12 o   2.0850   0.7568   2.0120   1.0350   2.1570   1.1050 -0.1457000 1.514000 
1 1 1  -71   15   13 o   2.6640   0.9429   2.3750   1.2040   2.9530   1.4510 -0.5778000 1.886000 
1 1 1  -71   15   14 o   2.1070   1.0790  ?   ?    2.1070   1.0790      ?      ? 
1 1 1  -71   17    3 o   2.3800   0.8681   2.3870   1.2310   2.3720   1.2250 0.1482000E-01 1.736000 
1 1 1  -71   17    4 o   2.0870   0.7627   2.0870   1.0820   2.0870   1.0750 -0.9537000E-04 1.525000 
1 1 1  -71   17    5 f   2.4910   0.8962   2.3560   1.2030   2.6250   1.3290 -0.2684000 1.792000 
1 1 1  -71   17    6 o   2.2530   0.8162   2.1710   1.1140   2.3350   1.1930 -0.1646000 1.632000 
1 1 1  -71   17    7 o   2.5150   0.9020   2.6270   1.3250   2.4030   1.2240 0.2243000 1.804000 
1 1 1  -71   17    8 o   2.4990   0.9111   2.4120   1.2450   2.5860   1.3310 -0.1732000 1.822000 
1 1 1  -71   17    9 o   2.2980   1.1880   2.2980   1.1880  ?   ?       ?      ? 
1 1 1  -70    0    1 o   5.4120   2.5500   5.4120   2.5500   5.4120   2.5500 -0.000000 0.000000 
1 1 1  -70    0    2 o   12.530   1.0250   12.530   1.0250   12.530   1.0250 -0.000000 0.000000 
1 1 1  -70    0    3 o   2.8520   1.7290   2.8520   1.7290   2.8520   1.7290 -0.000000 0.000000 
1 1 1  -70    0    4 o   8.0650   0.9566   8.0650   0.9566   8.0650   0.9566 -0.000000 0.000000 
1 1 1  -70    0    5 o   13.080   0.5575   13.080   0.5575   13.080   0.5575 0.000000 0.000000 
1 1 1  -70    0    6 o   2.1690   1.3860   2.1690   1.3860   2.1690   1.3860 -0.000000 0.000000 
1 1 1  -70    0    7 o   8.5840   0.7811   8.5840   0.7811   8.5840   0.7811 -0.000000 0.000000 
1 1 1  -70    0    8 o   7.9550   0.8117   7.9550   0.8117   7.9550   0.8117 -0.000000 0.000000 
1 1 1  -70    0    9 o   1.9600   1.2820   1.9600   1.2820   1.9600   1.2820 0.000000 0.000000 
1 1 1  -70    0   10 o   2.2420   1.3970   2.2420   1.3970   2.2420   1.3970 -0.000000 0.000000 
1 1 1  -70    0   11 o   5.6820   1.2810   5.6820   1.2810   5.6820   1.2810 0.000000 0.000000 
1 1 1  -70    0   12 o   1.7760   1.2060   1.7760   1.2060   1.7760   1.2060 0.000000 0.000000 
1 1 1  -70    0   13 o   3.8660   1.6560   3.8660   1.6560   3.8660   1.6560 0.000000 0.000000 
1 1 1  -70    0   14 o   2.4030   1.4970   2.4030   1.4970   2.4030   1.4970 -0.000000 0.000000 
1 1 1  -70    0   15 o   1.6490   1.1790   1.6490   1.1790   1.6490   1.1790 -0.000000 0.000000 
1 1 1  -70    0   16 o   2.8370   1.7510   2.8370   1.7510   2.8370   1.7510 -0.000000 0.000000 
1 1 1  -70    0   17 o   2.6960   1.6150   2.6960   1.6150   2.6960   1.6150 -0.000000 0.000000 
1 1 1  -70    0   18 o   2.8190   1.6760   2.8190   1.6760   2.8190   1.6760 -0.000000 0.000000 
1 1 1  -70    0   19 o   5.2550   1.8090   5.2550   1.8090   5.2550   1.8090 -0.000000 0.000000 
1 1 1  -70    0   20 o   2.1180   1.4260   2.1180   1.4260   2.1180   1.4260 0.000000 0.000000 
1 1 1  -70    0   21 o   23.540   0.4594   23.540   0.4594   23.540   0.4594 -0.000000 0.000000 
1 1 1  -70    0   22 o   15.490   0.6142   15.490   0.6142   15.490   0.6142 -0.000000 0.000000 
1 1 1  -70    0   23 o   2.5140   1.6040   2.5140   1.6040   2.5140   1.6040 0.000000 0.000000 
1 1 1  -70    0   24 f   1.9350   1.3570   1.9350   1.3570   1.9350   1.3570 -0.000000 0.000000 
1 1 1  -70    2    1 o   6.9700   1.0960   7.8560   1.5280   6.0840   1.5720 1.772000 2.192000 
1 1 1  -70    2    2 o   3.3160   1.0030   3.7740   1.5370   2.8580   1.2910 0.9155000 2.007000 
1 1 1  -70    2    3 o   5.1720   0.9887   4.8900   1.4600   5.4530   1.3340 -0.5624000 1.977000 
1 1 1  -70    2    4 o   7.5480   0.7198   8.6310   1.0240   6.4660   1.0120 2.166000 1.440000 
1 1 1  -70    2    5 o   11.580   0.4851   11.890   0.6944   11.270   0.6774 0.6198000 0.9701000 
1 1 1  -70    2    6 o   9.4140   0.7467   9.4880   1.2400   9.3400   0.8322 0.1471000 1.493000 
1 1 1  -70    2    7 o   7.0440   1.0120   7.3120   1.7760   6.7750   0.9726 0.5366000 2.025000 
1 1 1  -70    2    8 o   7.9270   1.2850   8.1520   1.6770   7.7020   1.9470 0.4506000 2.570000 
1 1 1  -70    2    9 o   13.330   0.7887   14.250   0.9801   12.410   1.2360 1.843000 1.577000 
1 1 1  -70    2   10 o   10.150   0.9540   9.6280   1.3310   10.670   1.3670 -1.047000 1.908000 
1 1 1  -70    2   11 o   3.3910   1.0720   3.8400   1.6870   2.9420   1.3220 0.8979000 2.143000 
1 1 1  -70    2   12 o   2.9530   0.9274   2.7350   1.2440   3.1720   1.3760 -0.4365000 1.855000 
1 1 1  -70    2   13 o   6.1830   0.8483   5.5210   1.4230   6.8460   0.9236 -1.325000 1.697000 
1 1 1  -70    2   14 o   5.6340   0.8651   6.5200   1.0650   4.7470   1.3640 1.773000 1.730000 
1 1 1  -70    2   15 o   3.4270   0.9332   2.6020   1.1910   4.2510   1.4370 -1.650000 1.866000 
1 1 1  -70    2   16 o   5.0000   1.0060   4.7980   1.4370   5.2030   1.4080 -0.4053000 2.012000 
1 1 1  -70    2   17 o   3.3390   1.0070   2.7510   1.2940   3.9280   1.5430 -1.176000 2.014000 
1 1 1  -70    2   18 o   4.7640   1.1470   4.9390   1.6170   4.5900   1.6260 0.3494000 2.293000 
1 1 1  -70    2   19 o   4.6060   1.0160   3.3890   1.4300   5.8240   1.4420 -2.434000 2.031000 
1 1 1  -70    2   20 o   10.700   0.5877   10.170   0.8702   11.220   0.7900 -1.042000 1.175000 
1 1 1  -70    2   21 o   12.550   0.5240   12.080   0.7725   13.020   0.7083 -0.9351000 1.048000 
1 1 1  -70    2   22 o   2.9500   0.9383   3.6050   1.5020   2.2950   1.1250 1.310000 1.877000 
1 1 1  -70    2   23 o   5.7300   1.1410   4.6340   1.6890   6.8260   1.5360 -2.192000 2.283000 
1 1 1  -70    2   24 o   4.0290   1.1200   4.0060   1.5450   4.0520   1.6220 -0.4616000E-01 2.240000 
1 1 1  -70    4    1 o   6.2800   1.0220   5.4050   1.6620   7.1540   1.1900 -1.749000 2.044000 
1 1 1  -70    4    2 o   3.0620   0.9082   3.7870   1.4350   2.3380   1.1130 1.449000 1.816000 
1 1 1  -70    4    3 o   5.8270   1.4410   5.1950   1.9540   6.4590   2.1170 -1.264000 2.881000 
1 1 1  -70    4    4 o   6.7350   1.4160   6.1820   1.9440   7.2890   2.0580 -1.106000 2.832000 
1 1 1  -70    4    5 o   6.0910   1.3650   6.9800   1.8490   5.2030   2.0080 1.778000 2.729000 
1 1 1  -70    4    6 o   7.8680   1.2290   6.7490   1.8240   8.9870   1.6480 -2.238000 2.458000 
1 1 1  -70    4    7 o   3.5680   1.1490   3.5430   1.6000   3.5930   1.6480 -0.5018000E-01 2.297000 
1 1 1  -70    4    8 o   6.2000   1.2790   7.3830   1.6870   5.0170   1.9220 2.366000 2.557000 
1 1 1  -70    4    9 o   9.1560   1.1010   11.250   1.1350   7.0630   1.8880 4.186000 2.203000 
1 1 1  -70    4   10 o   5.7410   1.3460   5.8450   1.8390   5.6380   1.9660 0.2070000 2.692000 
1 1 1  -70    4   11 o   8.8140   1.1030   9.6690   1.3020   7.9580   1.7800 1.711000 2.205000 
1 1 1  -70    4   12 o   12.180   0.9278   12.470   1.0270   11.890   1.5450 0.5798000 1.856000 
1 1 1  -70    4   13 o   9.0490   1.0340   7.5530   1.6470   10.550   1.2520 -2.993000 2.068000 
1 1 1  -70    4   14 o   5.6120   1.3190   5.4780   1.8390   5.7450   1.8920 -0.2668000 2.638000 
1 1 1  -70    4   15 o   6.2440   1.0060   4.1440   1.7300   8.3430   1.0250 -4.199000 2.011000 
1 1 1  -70    4   16 o   10.090   0.5460   10.670   0.7887   9.5150   0.7552 1.151000 1.092000 
1 1 1  -70    4   17 f   7.7770   0.6948   7.9480   0.9381   7.6060   1.0250 0.3427000 1.390000 
1 1 1  -70    4   18 o   3.8300   1.0160   3.2430   1.3590   4.4160   1.5100 -1.173000 2.031000 
1 1 1  -70    4   19 o   2.8330   0.9411   2.6380   1.2600   3.0270   1.3990 -0.3887000 1.882000 
1 1 1  -70    4   20 o   12.460   0.5571   10.960   0.8950   13.960   0.6635 -3.001000 1.114000 
1 1 1  -70    4   21 o   2.7390   0.9144   2.2060   1.1010   3.2710   1.4600 -1.065000 1.829000 
1 1 1  -70    4   22 o   2.8980   0.9477   2.9190   1.3280   2.8770   1.3530 0.4205000E-01 1.895000 
1 1 1  -70    4   23 o   5.5500   1.0760   5.9560   1.4720   5.1450   1.5690 0.8109000 2.152000 
1 1 1  -70    4   24 o   1.9160   0.6848   1.8790   0.9553   1.9530   0.9814 -0.7395000E-01 1.370000 
1 1 1  -70    6    1 o   10.490   1.1660   11.540   1.4110   9.4400   1.8560 2.098000 2.332000 
1 1 1  -70    6    2 f   5.4340   1.3560   3.4300   1.6210   7.4390   2.1750 -4.009000 2.713000 
1 1 1  -70    6    3 o   3.2550   1.1080   3.6350   1.6890   2.8750   1.4350 0.7599000 2.216000 
1 1 1  -70    6    4 o   4.0850   1.2860   3.6850   1.7000   4.4850   1.9310 -0.8007000 2.573000 
1 1 1  -70    6    5 o   3.8910   1.2450   3.8800   1.7510   3.9010   1.7710 -0.2070000E-01 2.491000 
1 1 1  -70    6    6 o   3.7990   1.2200   4.0480   1.7780   3.5500   1.6720 0.4980000 2.441000 
1 1 1  -70    6    7 o   5.6660   1.2060   7.8540   1.7720   3.4780   1.6360 4.377000 2.412000 
1 1 1  -70    6    8 o   3.7390   1.2020   3.4990   1.6140   3.9800   1.7830 -0.4813000 2.405000 
1 1 1  -70    6    9 o   5.5630   1.3380   4.0150   1.7500   7.1120   2.0230 -3.098000 2.675000 
1 1 1  -70    6   10 o   6.1470   1.3660   4.8160   1.9050   7.4780   1.9580 -2.663000 2.732000 
1 1 1  -70    6   11 o   6.2890   1.4670   6.8370   1.8780   5.7410   2.2540 1.097000 2.933000 
1 1 1  -70    6   12 o   5.8280   1.9580   5.8280   1.9580  ?   ?       ?      ? 
1 1 1  -70    6   13 o   3.0380   1.0390   2.6640   1.3180   3.4120   1.6070 -0.7478000 2.078000 
1 1 1  -70    6   14 o   11.820   0.8240   12.000   1.1000   11.650   1.2270 0.3533000 1.648000 
1 1 1  -70    6   15 o   6.0880   1.3010   4.7150   1.8390   7.4610   1.8400 -2.746000 2.602000 
1 1 1  -70    6   16 o   9.9220   0.9621   9.6830   1.3370   10.160   1.3840 -0.4793000 1.924000 
1 1 1  -70    6   17 o   10.580   1.1700   9.3890   2.2040   11.770   0.7849 -2.381000 2.339000 
1 1 1  -70    6   18 o   8.2430   0.7298   7.8370   1.0680   8.6490   0.9950 -0.8118000 1.460000 
1 1 1  -70    6   19 o   7.7700   0.8701   6.9170   1.3160   8.6220   1.1390 -1.705000 1.740000 
1 1 1  -70    6   20 o   2.5060   0.8601   1.7120   0.8707   3.2990   1.4840 -1.587000 1.720000 
1 1 1  -70    6   21 o   8.5960   0.8828   8.8940   1.1810   8.2970   1.3120 0.5965000 1.766000 
1 1 1  -70    6   22 o   7.5250   0.8390   7.6060   1.1640   7.4440   1.2090 0.1625000 1.678000 
1 1 1  -70    6   23 o   2.6720   0.8823   2.9530   1.3360   2.3910   1.1530 0.5618000 1.765000 
1 1 1  -70    8    1 o   9.2220   1.7480   11.210   2.2830   7.2320   2.6470 3.981000 3.496000 
1 1 1  -70    8    2 o   4.7850   1.5620   4.9460   2.2550   4.6250   2.1630 0.3215000 3.124000 
1 1 1  -70    8    3 o   4.1370   1.4020   3.8770   1.8900   4.3960   2.0710 -0.5186000 2.804000 
1 1 1  -70    8    4 o   4.7620   1.5000   6.4050   2.5530   3.1190   1.5750 3.286000 3.000000 
1 1 1  -70    8    5 o   4.3740   1.4600   4.5440   2.1230   4.2040   2.0040 0.3398000 2.919000 
1 1 1  -70    8    6 o   4.8730   1.5050   5.2800   2.3030   4.4670   1.9400 0.8123000 3.011000 
1 1 1  -70    8    7 o   3.7640   1.2230   3.6440   1.6770   3.8830   1.7810 -0.2386000 2.446000 
1 1 1  -70    8    8 o   7.5570   1.4250   7.3700   1.9550   7.7440   2.0730 -0.3735000 2.849000 
1 1 1  -70    8    9 o   10.160   1.1580   12.670   1.1530   7.6560   2.0070 5.012000 2.315000 
1 1 1  -70    8   10 o   6.8070   1.6770   8.4490   2.6650   5.1640   2.0370 3.285000 3.355000 
1 1 1  -70    8   11 o   6.5580   1.7500   7.4670   2.6600   5.6500   2.2760 1.817000 3.501000 
1 1 1  -70    8   12 o   4.2200   1.4220   3.7460   1.8440   4.6940   2.1650 -0.9473000 2.844000 
1 1 1  -70    8   13 o   5.3870   1.6510   6.1470   2.5090   4.6280   2.1460 1.518000 3.302000 
1 1 1  -70    8   14 o   4.7570   1.5360   4.8920   2.2180   4.6220   2.1250 0.2701000 3.072000 
1 1 1  -70    8   15 o   7.1410   1.7900   6.2670   2.5000   8.0160   2.5630 -1.749000 3.580000 
1 1 1  -70    8   16 o   8.6290   1.2020   9.4980   1.4940   7.7600   1.8840 1.738000 2.404000 
1 1 1  -70    8   17 o   3.1270   1.0630   3.2110   1.5260   3.0430   1.4800 0.1686000 2.126000 
1 1 1  -70    8   18 o   3.2840   1.0310   3.0980   1.4820   3.4690   1.4330 -0.3711000 2.062000 
1 1 1  -70    8   19 o   3.1260   0.9438   3.2290   1.3480   3.0220   1.3210 0.2071000 1.888000 
1 1 1  -70    8   20 o   1.9600   0.6925   1.8130   0.9141   2.1080   1.0400 -0.2952000 1.385000 
1 1 1  -70    8   21 o   3.6970   1.1210   3.7060   1.5890   3.6870   1.5820 0.1875000E-01 2.242000 
1 1 1  -70    8   22 o   6.4680   0.9967   6.2370   1.4580   6.7000   1.3600 -0.4636000 1.993000 
1 1 1  -70   10    1 o   4.9320   1.4520   5.3690   2.1000   4.4960   2.0070 0.8739000 2.905000 
1 1 1  -70   10    2 o   4.4210   1.4500   5.5950   2.4190   3.2470   1.6000 2.348000 2.901000 
1 1 1  -70   10    3 o   4.1110   1.3230   3.7440   1.7450   4.4770   1.9900 -0.7337000 2.646000 
1 1 1  -70   10    4 o   4.2060   1.3060   4.9610   2.0200   3.4510   1.6570 1.510000 2.612000 
1 1 1  -70   10    5 o   7.2940   1.3950   9.2020   1.8080   5.3860   2.1250 3.816000 2.790000 
1 1 1  -70   10    6 o   4.1480   1.3140   3.6720   1.7110   4.6240   1.9940 -0.9526000 2.628000 
1 1 1  -70   10    7 o   9.9410   1.2800   11.750   1.3890   8.1380   2.1500 3.607000 2.560000 
1 1 1  -70   10    8 o   4.3240   1.3170   5.0150   1.9910   3.6320   1.7250 1.383000 2.635000 
1 1 1  -70   10    9 o   5.0560   1.4160   5.3370   1.9960   4.7740   2.0090 0.5629000 2.831000 
1 1 1  -70   10   10 o   11.690   1.1130   10.160   1.4440   13.210   1.6950 -3.053000 2.227000 
1 1 1  -70   10   11 o   10.850   1.0380   8.9780   1.6200   12.730   1.2970 -3.750000 2.076000 
1 1 1  -70   10   12 o   5.2870   1.4150   4.6710   1.8930   5.9040   2.1050 -1.233000 2.831000 
1 1 1  -70   10   13 o   4.5150   1.3500   3.6500   1.7260   5.3790   2.0750 -1.729000 2.699000 
1 1 1  -70   10   14 o   3.9260   1.2440   4.1250   1.7870   3.7280   1.7310 0.3969000 2.488000 
1 1 1  -70   10   15 o   3.9530   1.2520   3.8300   1.7230   4.0760   1.8160 -0.2459000 2.503000 
1 1 1  -70   10   16 f   3.3360   1.1140   3.7180   1.6930   2.9550   1.4480 0.7622000 2.228000 
1 1 1  -70   10   17 o   8.5090   1.2420   7.5540   1.8930   9.4650   1.6100 -1.911000 2.485000 
1 1 1  -70   10   18 o   5.2350   1.3900   4.9320   1.9240   5.5380   2.0070 -0.6063000 2.780000 
1 1 1  -70   10   19 o   12.210   0.4799   12.930   0.6935   11.490   0.6635 1.445000 0.9598000 
1 1 1  -70   10   20 o   3.2070   0.9531   2.6810   1.2370   3.7330   1.4500 -1.052000 1.906000 
1 1 1  -70   10   21 o   2.5230   0.8464   2.4750   1.1720   2.5710   1.2210 -0.9552000E-01 1.693000 
1 1 1  -70   12    1 o   4.8710   1.5450   6.4640   2.6090   3.2780   1.6570 3.186000 3.091000 
1 1 1  -70   12    2 o   7.1330   2.6950  ?   ?    7.1330   2.6950      ?      ? 
1 1 1  -70   12    3 o   4.0940   1.3960   4.6660   2.1630   3.5230   1.7650 1.143000 2.792000 
1 1 1  -70   12    4 o   4.5760   1.4140   4.0980   1.8690   5.0530   2.1210 -0.9550000 2.827000 
1 1 1  -70   12    5 o   5.6600   1.5250   6.3500   2.2090   4.9700   2.1040 1.380000 3.050000 
1 1 1  -70   12    6 o   3.8480   1.2660   4.3490   1.9310   3.3480   1.6390 1.000000 2.533000 
1 1 1  -70   12    7 o   5.5460   1.4220   7.0930   2.1370   4.0000   1.8760 3.094000 2.843000 
1 1 1  -70   12    8 o   5.0720   1.4330   5.7650   2.0870   4.3790   1.9630 1.385000 2.865000 
1 1 1  -70   12    9 o   8.5760   1.3890   10.080   1.6290   7.0670   2.2500 3.017000 2.778000 
1 1 1  -70   12   10 f   5.6420   1.4020   7.1340   2.0050   4.1500   1.9600 2.984000 2.804000 
1 1 1  -70   12   11 o   7.0870   1.2990   4.2980   1.8530   9.8770   1.8200 -5.579000 2.598000 
1 1 1  -70   12   12 o   3.3480   1.1350   3.0450   1.4810   3.6520   1.7190 -0.6069000 2.269000 
1 1 1  -70   12   13 o   3.8150   1.2920   3.4870   1.6890   4.1430   1.9550 -0.6560000 2.583000 
1 1 1  -70   12   14 o   5.3770   1.5600   5.9930   2.2810   4.7610   2.1280 1.232000 3.119000 
1 1 1  -70   12   15 o   3.1580   1.1130   2.7640   1.3990   3.5530   1.7310 -0.7891000 2.226000 
1 1 1  -70   12   16 o   2.9390   1.0410   2.9020   1.4560   2.9750   1.4870 -0.7291000E-01 2.081000 
1 1 1  -70   12   17 o   3.1180   1.0950   3.2220   1.5920   3.0150   1.5030 0.2078000 2.189000 
1 1 1  -70   12   18 o   3.8830   1.2350   4.0800   1.7920   3.6850   1.7000 0.3954000 2.470000 
1 1 1  -70   12   19 o   9.0500   0.6052   9.2960   0.8279   8.8040   0.8831 0.4927000 1.210000 
1 1 1  -70   12   20 o   2.3930   1.2090  ?   ?    2.3930   1.2090      ?      ? 
1 1 1  -70   14    1 o   3.2630   1.1280   3.1700   1.5550   3.3550   1.6360 -0.1856000 2.257000 
1 1 1  -70   14    2 o   3.3350   1.1470   3.3410   1.6200   3.3290   1.6230 0.1132000E-01 2.293000 
1 1 1  -70   14    3 o   2.6470   0.9473   2.4900   1.2670   2.8030   1.4090 -0.3139000 1.895000 
1 1 1  -70   14    4 o   4.0670   1.3230   3.9130   1.8150   4.2210   1.9250 -0.3077000 2.646000 
1 1 1  -70   14    5 o   4.9930   1.4600   4.1940   1.8970   5.7920   2.2200 -1.597000 2.920000 
1 1 1  -70   14    6 o   6.6600   2.1730   6.6600   2.1730  ?   ?       ?      ? 
1 1 1  -70   14    7 o   3.2870   1.1350   3.0180   1.4890   3.5550   1.7120 -0.5365000 2.269000 
1 1 1  -70   14    8 o   3.9460   1.2690   4.6820   1.9880   3.2110   1.5770 1.471000 2.537000 
1 1 1  -70   14    9 o   3.3650   1.1470   3.6220   1.7050   3.1070   1.5350 0.5152000 2.294000 
1 1 1  -70   14   10 o   3.1980   1.1140   3.2050   1.5570   3.1900   1.5930 0.1558000E-01 2.228000 
1 1 1  -70   14   11 o   3.3960   1.1490   3.4290   1.6330   3.3620   1.6170 0.6691000E-01 2.298000 
1 1 1  -70   14   12 o   3.4700   1.1610   3.8520   1.7640   3.0890   1.5090 0.7631000 2.322000 
1 1 1  -70   14   13 o   4.0270   1.2630   3.2650   1.5710   4.7890   1.9760 -1.524000 2.525000 
1 1 1  -70   14   14 o   3.4310   1.1500   3.4090   1.6190   3.4530   1.6340 -0.4412000E-01 2.300000 
1 1 1  -70   14   15 o   4.2860   1.3110   3.8600   1.7540   4.7110   1.9490 -0.8511000 2.622000 
1 1 1  -70   14   16 o   2.2740   0.8179   2.2460   1.1420   2.3030   1.1710 -0.5697000E-01 1.636000 
1 1 1  -70   14   17 o   2.2770   0.8178   2.3290   1.1800   2.2240   1.1330 0.1053000 1.636000 
1 1 1  -70   16    1 o   2.5400   0.9243   2.6790   1.3710   2.4010   1.2390 0.2785000 1.849000 
1 1 1  -70   16    2 o   3.4050   1.1650   3.0930   1.5280   3.7170   1.7590 -0.6248000 2.330000 
1 1 1  -70   16    3 o   2.7430   0.9903   2.5460   1.2930   2.9390   1.5000 -0.3925000 1.981000 
1 1 1  -70   16    4 o   2.8100   0.9991   2.4110   1.2290   3.2100   1.5760 -0.7988000 1.998000 
1 1 1  -70   16    5 o   2.8840   1.0190   2.8340   1.4170   2.9330   1.4640 -0.9945000E-01 2.038000 
1 1 1  -70   16    6 o   2.6910   0.9579   2.6640   1.3430   2.7170   1.3660 -0.5275000E-01 1.916000 
1 1 1  -70   16    7 o   4.1300   1.2770   5.4390   2.1280   2.8220   1.4110 2.617000 2.553000 
1 1 1  -70   16    8 o   5.0990   1.4700   5.1150   2.0780   5.0840   2.0790 0.3076000E-01 2.940000 
1 1 1  -70   16    9 o   3.5210   1.1960   3.7020   1.7280   3.3400   1.6530 0.3627000 2.392000 
1 1 1  -70   16   10 o   2.5160   0.9010   2.4170   1.2280   2.6150   1.3190 -0.1974000 1.802000 
1 1 1  -70   16   11 o   3.9220   1.2380   4.7800   1.9690   3.0630   1.5010 1.717000 2.476000 
1 1 1  -70   16   12 o   3.4560   1.1480   2.6770   1.3370   4.2340   1.8670 -1.557000 2.296000 
1 1 1  -70   16   13 o   2.7950   1.3860   2.7950   1.3860  ?   ?       ?      ? 
1 1 1  -70   16   14 o   2.2100   0.8050   2.3140   1.1950   2.1050   1.0790 0.2091000 1.610000 
1 1 1  -70   18    5 o   1.8620   0.9691  ?   ?    1.8620   0.9691      ?      ? 
1 1 1  -70   18    6 o   1.8760   0.9764  ?   ?    1.8760   0.9764      ?      ? 
1 1 1  -69    1    1 o   7.2120   1.1830   7.3960   1.6320   7.0280   1.7140 0.3683000 2.367000 
1 1 1  -69    1    2 o   9.8710   0.5872   10.010   0.8212   9.7350   0.8396 0.2721000 1.174000 
1 1 1  -69    1    3 o   4.5980   1.0810   4.1200   1.5460   5.0750   1.5130 -0.9548000 2.163000 
1 1 1  -69    1    4 o   7.9030   0.7555   8.7480   0.9638   7.0580   1.1640 1.690000 1.511000 
1 1 1  -69    1    5 o   10.320   0.5253   10.470   0.7599   10.170   0.7255 0.3011000 1.051000 
1 1 1  -69    1    6 o   10.300   0.4751   10.040   0.7220   10.560   0.6178 -0.5244000 0.9502000 
1 1 1  -69    1    7 o   4.9530   0.8967   3.9620   1.4680   5.9450   1.0310 -1.983000 1.793000 
1 1 1  -69    1    8 o   6.5730   0.7469   7.5710   1.0490   5.5750   1.0630 1.996000 1.494000 
1 1 1  -69    1    9 o   3.3810   0.9389   3.5340   1.4040   3.2290   1.2470 0.3057000 1.878000 
1 1 1  -69    1   10 o   12.250   0.4704   13.000   0.6067   11.500   0.7191 1.504000 0.9408000 
1 1 1  -69    1   11 o   12.560   0.3753   12.040   0.5620   13.090   0.4977 -1.044000 0.7507000 
1 1 1  -69    1   12 o   8.9620   0.5762   10.020   0.7162   7.9080   0.9028 2.107000 1.152000 
1 1 1  -69    1   13 o   6.5100   0.8195   5.7470   1.2680   7.2720   1.0380 -1.525000 1.639000 
1 1 1  -69    1   14 o   3.1910   0.9514   3.1830   1.3310   3.2000   1.3590 -0.1680000E-01 1.903000 
1 1 1  -69    1   15 o   6.9150   0.7441   7.4050   0.9779   6.4240   1.1220 0.9807000 1.488000 
1 1 1  -69    1   16 o   8.6840   0.7156   9.2580   0.9484   8.1110   1.0720 1.147000 1.431000 
1 1 1  -69    1   17 o   3.4250   1.0320   3.4130   1.4560   3.4370   1.4610 -0.2404000E-01 2.063000 
1 1 1  -69    1   18 o   2.7310   0.8916   2.7260   1.2600   2.7370   1.2620 -0.1149000E-01 1.783000 
1 1 1  -69    1   19 f   6.3360   0.9815   6.3340   1.4000   6.3380   1.3760 -0.4322000E-02 1.963000 
1 1 1  -69    1   20 o   13.750   0.4757   14.020   0.6617   13.470   0.6835 0.5489000 0.9513000 
1 1 1  -69    1   21 o   12.400   0.5302   12.280   0.7666   12.520   0.7326 -0.2337000 1.060000 
1 1 1  -69    1   22 o   16.350   0.4704   15.420   0.7517   17.290   0.5659 -1.873000 0.9409000 
1 1 1  -69    1   23 o   8.2940   0.8025   8.2990   1.1370   8.2880   1.1330 0.1043000E-01 1.605000 
1 1 1  -69    1   24 o   4.2570   1.1510   4.9490   1.7060   3.5660   1.5450 1.383000 2.302000 
1 1 1  -69    1   25 o   3.3930   1.0530   3.9230   1.6130   2.8630   1.3540 1.060000 2.106000 
1 1 1  -69    3    1 o   5.6600   1.1300   6.5510   1.5960   4.7690   1.5990 1.782000 2.259000 
1 1 1  -69    3    2 o   9.4670   0.6718   7.7940   1.1770   11.140   0.6490 -3.345000 1.344000 
1 1 1  -69    3    3 o   9.2960   0.6309   8.1820   1.0120   10.410   0.7532 -2.229000 1.262000 
1 1 1  -69    3    4 o   8.4590   0.8452   9.3120   1.4400   7.6060   0.8852 1.706000 1.690000 
1 1 1  -69    3    5 o   6.1990   1.3000   7.3590   1.7200   5.0400   1.9500 2.319000 2.600000 
1 1 1  -69    3    6 o   12.740   0.7362   12.980   0.9823   12.500   1.0970 0.4855000 1.472000 
1 1 1  -69    3    7 o   4.0250   1.2090   3.7450   1.6290   4.3050   1.7860 -0.5605000 2.418000 
1 1 1  -69    3    8 o   6.0230   1.2890   6.1840   1.7570   5.8630   1.8860 0.3211000 2.578000 
1 1 1  -69    3    9 o   5.9540   1.3020   6.1470   1.7870   5.7620   1.8950 0.3849000 2.605000 
1 1 1  -69    3   10 o   12.110   0.7269   12.800   0.9186   11.420   1.1270 1.382000 1.454000 
1 1 1  -69    3   11 o   4.3700   1.2360   3.8460   1.6410   4.8950   1.8500 -1.049000 2.473000 
1 1 1  -69    3   12 o   11.700   0.8539   11.370   1.0520   12.020   1.3450 -0.6464000 1.708000 
1 1 1  -69    3   13 o   2.7730   0.9157   2.6970   1.3090   2.8490   1.2800 -0.1522000 1.831000 
1 1 1  -69    3   14 o   10.020   0.5895   8.7800   0.8810   11.260   0.7835 -2.484000 1.179000 
1 1 1  -69    3   15 o   4.3960   0.9823   4.7570   1.3630   4.0350   1.4150 0.7219000 1.965000 
1 1 1  -69    3   16 o   8.2030   0.7286   7.9570   0.9551   8.4480   1.1000 -0.4910000 1.457000 
1 1 1  -69    3   17 o   5.3690   0.9836   4.5340   1.4700   6.2040   1.3080 -1.670000 1.967000 
1 1 1  -69    3   18 f   7.8050   0.9058   7.4590   1.3560   8.1510   1.2010 -0.6922000 1.812000 
1 1 1  -69    3   19 o   8.5950   0.8454   8.1370   1.2670   9.0530   1.1200 -0.9163000 1.691000 
1 1 1  -69    3   20 o   13.820   0.4934   13.670   0.6558   13.980   0.7373 -0.3069000 0.9867000 
1 1 1  -69    3   21 o   13.740   0.4850   13.100   0.7238   14.380   0.6458 -1.278000 0.9700000 
1 1 1  -69    3   22 o   4.4100   1.1860   4.8380   1.7250   3.9830   1.6280 0.8558000 2.372000 
1 1 1  -69    3   23 o   3.1310   0.9883   2.2770   1.1170   3.9850   1.6310 -1.708000 1.977000 
1 1 1  -69    3   24 o   8.7340   0.7454   9.5530   0.9407   7.9160   1.1570 1.637000 1.491000 
1 1 1  -69    3   25 o   2.1200   0.7488   2.1020   1.0550   2.1390   1.0630 -0.3664000E-01 1.498000 
1 1 1  -69    5    1 o   7.7680   0.7733   8.4570   1.0760   7.0790   1.1110 1.378000 1.547000 
1 1 1  -69    5    2 o   7.8820   1.4130   7.2720   1.9500   8.4920   2.0450 -1.220000 2.826000 
1 1 1  -69    5    3 o   11.570   0.9932   12.020   1.2600   11.130   1.5350 0.8925000 1.986000 
1 1 1  -69    5    4 o   6.9100   1.4270   7.2250   1.9230   6.5950   2.1090 0.6292000 2.854000 
1 1 1  -69    5    5 o   10.860   0.9998   9.4980   1.5080   12.220   1.3140 -2.720000 2.000000 
1 1 1  -69    5    6 o   9.5930   1.0940   8.4320   1.6380   10.750   1.4520 -2.322000 2.189000 
1 1 1  -69    5    7 o   7.9530   1.2720   8.4080   1.6190   7.4990   1.9640 0.9082000 2.545000 
1 1 1  -69    5    8 o   7.1790   1.3160   7.4610   1.6890   6.8980   2.0190 0.5635000 2.633000 
1 1 1  -69    5    9 o   5.8690   1.3080   3.9880   1.7250   7.7510   1.9680 -3.763000 2.617000 
1 1 1  -69    5   10 o   5.9740   1.3960   5.9310   1.9010   6.0160   2.0450 -0.8523000E-01 2.792000 
1 1 1  -69    5   11 o   4.2710   1.2720   4.9570   1.8650   3.5850   1.7290 1.372000 2.544000 
1 1 1  -69    5   12 o   6.0230   1.3700   6.2250   1.8710   5.8200   2.0030 0.4052000 2.740000 
1 1 1  -69    5   13 o   5.3530   1.3420   4.7680   1.8330   5.9380   1.9600 -1.170000 2.683000 
1 1 1  -69    5   14 o   3.9110   1.2060   3.6150   1.6310   4.2080   1.7760 -0.5930000 2.412000 
1 1 1  -69    5   15 o   4.1340   1.2420   3.9570   1.7090   4.3100   1.8030 -0.3536000 2.485000 
1 1 1  -69    5   16 o   14.640   0.4134   14.730   0.5555   14.550   0.6125 0.1830000 0.8269000 
1 1 1  -69    5   17 o   9.4920   0.5611   9.9450   0.7438   9.0390   0.8402 0.9062000 1.122000 
1 1 1  -69    5   18 o   7.3800   0.7792   6.6090   1.1870   8.1520   1.0090 -1.542000 1.558000 
1 1 1  -69    5   19 o   4.2730   1.0560   3.3910   1.4640   5.1560   1.5220 -1.765000 2.112000 
1 1 1  -69    5   20 o   3.1450   1.0570   3.2060   1.5170   3.0830   1.4720 0.1231000 2.114000 
1 1 1  -69    5   21 o   3.0390   0.9667   3.2890   1.4080   2.7890   1.3250 0.4995000 1.933000 
1 1 1  -69    5   22 o   7.8630   0.8115   8.3010   1.0710   7.4250   1.2190 0.8763000 1.623000 
1 1 1  -69    5   23 o   1.9530   0.6949   1.9060   0.9617   2.0010   1.0030 -0.9472000E-01 1.390000 
1 1 1  -69    5   24 o   2.6860   0.8903   2.9310   1.3350   2.4410   1.1780 0.4901000 1.781000 
1 1 1  -69    7    1 o   9.7600   1.6680   12.550   2.0140   6.9710   2.6600 5.577000 3.337000 
1 1 1  -69    7    2 o   14.220   0.8636   14.310   1.1410   14.140   1.2970 0.1625000 1.727000 
1 1 1  -69    7    3 o   7.3940   1.3780   9.2940   1.7180   5.4940   2.1550 3.800000 2.756000 
1 1 1  -69    7    4 o   8.9740   1.2810   10.560   1.4560   7.3840   2.1070 3.180000 2.561000 
1 1 1  -69    7    5 o   8.5560   1.3130   8.4240   1.7960   8.6880   1.9160 -0.2639000 2.626000 
1 1 1  -69    7    6 o   9.4450   1.2020   10.030   1.4730   8.8620   1.9000 1.165000 2.404000 
1 1 1  -69    7    7 o   8.2880   1.3150   8.1980   1.7510   8.3770   1.9640 -0.1789000 2.631000 
1 1 1  -69    7    8 o   5.1560   1.3870   5.8400   1.9840   4.4720   1.9380 1.368000 2.774000 
1 1 1  -69    7    9 o   6.6040   1.3080   8.3550   1.6910   4.8530   1.9960 3.502000 2.616000 
1 1 1  -69    7   10 o   10.780   1.0020   10.480   1.3790   11.080   1.4530 -0.6093000 2.003000 
1 1 1  -69    7   11 o   4.9250   1.4280   3.5930   1.6510   6.2570   2.3310 -2.664000 2.856000 
1 1 1  -69    7   12 o   3.8070   1.2080   3.5250   1.6180   4.0890   1.7950 -0.5644000 2.417000 
1 1 1  -69    7   13 o   14.590   0.7099   14.840   0.9372   14.330   1.0660 0.5116000 1.420000 
1 1 1  -69    7   14 o   4.3350   1.2960   4.0370   1.7520   4.6320   1.9120 -0.5947000 2.593000 
1 1 1  -69    7   15 o   6.9980   1.5070   5.9590   2.3890   8.0370   1.8380 -2.078000 3.014000 
1 1 1  -69    7   16 o   3.7530   1.2900   3.1250   1.5740   4.3820   2.0450 -1.257000 2.581000 
1 1 1  -69    7   17 o   7.0440   1.0970   4.2360   1.9980   9.8510   0.9066 -5.616000 2.194000 
1 1 1  -69    7   18 f   4.0300   1.0650   4.5260   1.5470   3.5340   1.4630 0.9919000 2.130000 
1 1 1  -69    7   19 o   5.1440   1.0200   4.2740   1.5030   6.0150   1.3800 -1.742000 2.040000 
1 1 1  -69    7   20 o   6.2000   0.9660   5.5270   1.4150   6.8740   1.3150 -1.346000 1.932000 
1 1 1  -69    7   21 o   4.4430   1.1990   4.2550   1.6760   4.6310   1.7140 -0.3756000 2.397000 
1 1 1  -69    7   22 f   3.0440   0.9516   2.5380   1.2070   3.5500   1.4710 -1.012000 1.903000 
1 1 1  -69    7   23 o   2.4180   0.8260   2.5350   1.2120   2.3010   1.1230 0.2343000 1.652000 
1 1 1  -69    9    1 o   10.170   1.5640   9.1740   2.6560   11.170   1.6530 -2.000000 3.129000 
1 1 1  -69    9    2 o   8.8000   1.4050   9.5150   1.8080   8.0850   2.1520 1.430000 2.811000 
1 1 1  -69    9    3 o   8.5900   1.4830   11.040   1.6030   6.1360   2.4970 4.908000 2.967000 
1 1 1  -69    9    4 o   6.5300   1.8100   7.2250   2.6570   5.8360   2.4580 1.389000 3.620000 
1 1 1  -69    9    5 o   5.2130   1.6170   4.5200   2.1190   5.9060   2.4420 -1.386000 3.233000 
1 1 1  -69    9    6 f   4.5680   1.5020   5.0950   2.2830   4.0410   1.9520 1.054000 3.003000 
1 1 1  -69    9    7 o   5.5630   1.7090   5.8750   2.4950   5.2500   2.3360 0.6250000 3.418000 
1 1 1  -69    9    8 o   6.3050   1.7700   7.5700   2.7040   5.0400   2.2850 2.530000 3.540000 
1 1 1  -69    9    9 o   5.9510   1.7770   6.2170   2.5850   5.6840   2.4400 0.5324000 3.555000 
1 1 1  -69    9   10 o   4.5800   2.1670   4.5800   2.1670  ?   ?       ?      ? 
1 1 1  -69    9   11 o   6.7730   1.8030   8.1070   2.7160   5.4390   2.3730 2.668000 3.606000 
1 1 1  -69    9   12 o   5.4170   1.3180   7.1840   1.9320   3.6500   1.7940 3.535000 2.636000 
1 1 1  -69    9   13 o   5.2170   1.3960   5.8150   2.0010   4.6200   1.9480 1.195000 2.793000 
1 1 1  -69    9   14 o   9.2230   1.1770   9.0520   1.6220   9.3940   1.7070 -0.3424000 2.354000 
1 1 1  -69    9   15 o   6.0280   1.3340   7.5640   1.8520   4.4930   1.9200 3.072000 2.668000 
1 1 1  -69    9   16 o   5.8970   1.4230   6.2210   1.9730   5.5730   2.0510 0.6488000 2.846000 
1 1 1  -69    9   17 o   3.8440   1.2090   4.4940   1.8670   3.1950   1.5380 1.299000 2.419000 
1 1 1  -69    9   18 o   3.5380   1.1050   3.6930   1.6780   3.3840   1.4390 0.3090000 2.211000 
1 1 1  -69    9   19 o   5.0580   1.0010   4.5770   1.4260   5.5400   1.4050 -0.9623000 2.002000 
1 1 1  -69    9   20 o   3.8960   1.0380   4.0240   1.4770   3.7670   1.4590 0.2573000 2.076000 
1 1 1  -69    9   21 o   3.2590   1.0740   3.0880   1.4620   3.4300   1.5730 -0.3427000 2.148000 
1 1 1  -69    9   22 o   4.3410   1.1140   4.4640   1.5870   4.2170   1.5630 0.2464000 2.227000 
1 1 1  -69   11    1 f   7.0120   1.5890   7.3150   2.1760   6.7080   2.3160 0.6065000 3.178000 
1 1 1  -69   11    2 o   9.2550   1.6440   11.470   2.3520   7.0370   2.2990 4.436000 3.289000 
1 1 1  -69   11    3 o   6.8090   1.5560   7.5330   2.1510   6.0860   2.2490 1.447000 3.112000 
1 1 1  -69   11    4 o   5.2240   1.3760   6.9260   2.1730   3.5220   1.6880 3.404000 2.752000 
1 1 1  -69   11    5 o   4.4670   1.3870   4.1710   1.8820   4.7620   2.0380 -0.5913000 2.774000 
1 1 1  -69   11    6 o   4.4450   1.3760   4.7980   2.0120   4.0910   1.8760 0.7063000 2.751000 
1 1 1  -69   11    7 o   5.5240   1.5060   4.8070   2.0010   6.2410   2.2510 -1.434000 3.012000 
1 1 1  -69   11    8 o   4.3630   1.3520   3.9410   1.7830   4.7850   2.0320 -0.8438000 2.704000 
1 1 1  -69   11    9 f   7.6720   1.4480   8.3520   1.8790   6.9920   2.2040 1.360000 2.897000 
1 1 1  -69   11   10 o   9.6300   1.3530   9.4900   1.6060   9.7700   2.1770 -0.2801000 2.705000 
1 1 1  -69   11   11 o   14.890   0.7687   14.820   1.0380   14.970   1.1340 -0.1498000 1.537000 
1 1 1  -69   11   12 o   4.0710   1.2650   4.6690   1.9150   3.4740   1.6520 1.195000 2.530000 
1 1 1  -69   11   13 o   9.7790   1.1680   9.9780   1.4940   9.5810   1.7940 0.3968000 2.335000 
1 1 1  -69   11   14 o   4.0610   1.2800   4.0370   1.7760   4.0850   1.8440 -0.4708000E-01 2.560000 
1 1 1  -69   11   15 o   2.9690   1.0320   2.8620   1.4090   3.0760   1.5070 -0.2142000 2.063000 
1 1 1  -69   11   16 o   3.4950   1.1600   3.6930   1.6980   3.2970   1.5820 0.3958000 2.320000 
1 1 1  -69   11   17 o   3.4550   1.1940   3.4950   1.7020   3.4150   1.6750 0.8005000E-01 2.388000 
1 1 1  -69   11   18 o   3.4940   1.1990   3.9620   1.8620   3.0250   1.5120 0.9363000 2.399000 
1 1 1  -69   11   19 o   3.0430   0.9055   2.2800   1.1170   3.8060   1.4260 -1.526000 1.811000 
1 1 1  -69   11   20 o   2.4530   0.8183   2.6830   1.2330   2.2240   1.0760 0.4586000 1.637000 
1 1 1  -69   11   21 o   2.4590   0.8375   2.5630   1.2010   2.3560   1.1670 0.2066000 1.675000 
1 1 1  -69   13    1 o   4.0100   1.3150   4.0450   1.8600   3.9760   1.8590 0.6845000E-01 2.630000 
1 1 1  -69   13    2 o   3.6380   1.8120  ?   ?    3.6380   1.8120      ?      ? 
1 1 1  -69   13    3 o   5.0260   1.6150   4.2180   2.0170   5.8350   2.5230 -1.617000 3.230000 
1 1 1  -69   13    4 o   4.1040   1.3950   4.5090   2.1050   3.6980   1.8320 0.8106000 2.791000 
1 1 1  -69   13    5 o   5.7060   1.6940   6.5570   2.5420   4.8540   2.2390 1.703000 3.387000 
1 1 1  -69   13    6 o   5.7570   1.6900   6.5460   2.5110   4.9680   2.2630 1.578000 3.380000 
1 1 1  -69   13    7 o   7.6050   1.7610   8.9750   2.4210   6.2350   2.5590 2.740000 3.522000 
1 1 1  -69   13    8 o   6.1700   1.6760   4.6290   2.0930   7.7110   2.6170 -3.082000 3.351000 
1 1 1  -69   13    9 o   3.4850   1.2170   3.6730   1.7840   3.2970   1.6550 0.3762000 2.433000 
1 1 1  -69   13   10 o   4.0700   1.3590   4.0370   1.8900   4.1040   1.9540 -0.6706000E-01 2.719000 
1 1 1  -69   13   11 o   3.9220   1.3170   4.0690   1.8900   3.7750   1.8340 0.2932000 2.634000 
1 1 1  -69   13   12 o   4.8750   1.5100   4.1790   1.9210   5.5710   2.3300 -1.392000 3.020000 
1 1 1  -69   13   13 o   4.1100   1.3650   4.0170   1.8830   4.2030   1.9760 -0.1867000 2.730000 
1 1 1  -69   13   14 o   5.1940   1.5650   4.8940   2.1290   5.4940   2.2950 -0.6002000 3.130000 
1 1 1  -69   13   15 o   3.1690   1.0890   3.0570   1.4940   3.2810   1.5850 -0.2232000 2.178000 
1 1 1  -69   13   16 o   3.1910   1.0890   3.0040   1.4740   3.3780   1.6040 -0.3739000 2.178000 
1 1 1  -69   13   17 o   2.9250   1.0150   2.7390   1.3610   3.1110   1.5060 -0.3715000 2.030000 
1 1 1  -69   13   18 o   2.6100   0.9083   3.0970   1.4960   2.1230   1.0300 0.9743000 1.817000 
1 1 1  -69   13   19 o   1.9990   0.6996   2.1220   1.0440   1.8760   0.9313 0.2457000 1.399000 
1 1 1  -69   13   20 o   1.9220   0.9897  ?   ?    1.9220   0.9897      ?      ? 
1 1 1  -69   15    1 o   2.9010   1.0330   3.0640   1.5150   2.7390   1.4040 0.3253000 2.066000 
1 1 1  -69   15    2 o   3.1240   1.0920   3.0510   1.5110   3.1970   1.5760 -0.1456000 2.183000 
1 1 1  -69   15    3 o   3.2110   1.1160   3.6480   1.7380   2.7730   1.3990 0.8751000 2.231000 
1 1 1  -69   15    4 o   3.8410   1.2710   4.1990   1.9010   3.4840   1.6880 0.7153000 2.542000 
1 1 1  -69   15    5 o   3.8390   1.2660   4.3330   1.9310   3.3460   1.6380 0.9876000 2.532000 
1 1 1  -69   15    6 o   3.5970   1.2110   3.8300   1.7840   3.3630   1.6390 0.4669000 2.422000 
1 1 1  -69   15    7 o   4.5090   1.3510   5.5780   2.1240   3.4400   1.6710 2.138000 2.702000 
1 1 1  -69   15    8 o   5.5450   1.5150   5.2280   2.0730   5.8620   2.2110 -0.6335000 3.031000 
1 1 1  -69   15    9 o   3.2730   1.1300   3.5850   1.6910   2.9610   1.4990 0.6238000 2.260000 
1 1 1  -69   15   10 o   3.2760   1.1220   3.6030   1.6970   2.9500   1.4690 0.6531000 2.245000 
1 1 1  -69   15   11 o   2.4280   0.8702   2.4080   1.2190   2.4480   1.2420 -0.3951000E-01 1.740000 
1 1 1  -69   15   12 o   3.8930   1.2510   4.1750   1.8360   3.6110   1.6980 0.5643000 2.501000 
1 1 1  -69   15   13 o   3.4210   1.1460   3.0810   1.4980   3.7610   1.7350 -0.6806000 2.292000 
1 1 1  -69   15   14 o   2.6550   0.9393   2.8130   1.3930   2.4960   1.2610 0.3173000 1.879000 
1 1 1  -69   15   15 o   2.4060   0.8643   2.1110   1.0820   2.7000   1.3480 -0.5891000 1.729000 
1 1 1  -69   15   16 o   2.4270   0.8692   2.6980   1.3440   2.1570   1.1030 0.5402000 1.738000 
1 1 1  -69   15   17 f   2.3340   0.8385   2.2800   1.1620   2.3880   1.2100 -0.1076000 1.677000 
1 1 1  -69   17    1 o   3.6740   1.0920   3.5980   1.5340   3.7500   1.5550 -0.1522000 2.185000 
1 1 1  -69   17    2 o   2.8100   0.9728   3.0190   1.4990   2.6000   1.2410 0.4189000 1.946000 
1 1 1  -69   17    3 o   3.0620   1.0770   2.5140   1.2780   3.6100   1.7350 -1.097000 2.155000 
1 1 1  -69   17    4 o   3.3560   1.1560   3.0060   1.4910   3.7070   1.7670 -0.7012000 2.312000 
1 1 1  -69   17    5 o   3.3570   1.1550   3.4720   1.6700   3.2430   1.5960 0.2282000 2.310000 
1 1 1  -69   17    6 o   2.8490   1.0080   2.6480   1.3370   3.0500   1.5090 -0.4023000 2.016000 
1 1 1  -69   17    7 o   3.4850   1.1840   3.1520   1.5470   3.8180   1.7920 -0.6661000 2.368000 
1 1 1  -69   17    8 o   3.2400   1.1210   3.2410   1.5830   3.2390   1.5870 0.1840000E-02 2.241000 
1 1 1  -69   17    9 o   3.7810   1.2760   3.5870   1.6990   3.9760   1.9050 -0.3889000 2.553000 
1 1 1  -69   17   10 o   2.7860   0.9863   3.0390   1.4970   2.5330   1.2840 0.5060000 1.973000 
1 1 1  -69   17   11 o   2.4680   0.8838   2.3800   1.2080   2.5550   1.2900 -0.1752000 1.768000 
1 1 1  -69   17   12 o   2.6950   0.9548   2.4120   1.2230   2.9780   1.4660 -0.5660000 1.910000 
1 1 1  -69   17   13 o   2.3970   0.8600   2.3120   1.1760   2.4830   1.2550 -0.1706000 1.720000 
1 1 1  -68    0    1 o   2.5670   1.7680   2.5670   1.7680   2.5670   1.7680 -0.000000 0.000000 
1 1 1  -68    0    2 o   3.3640   2.0060   3.3640   2.0060   3.3640   2.0060 -0.000000 0.000000 
1 1 1  -68    0    3 o   3.3860   1.8730   3.3860   1.8730   3.3860   1.8730 0.000000 0.000000 
1 1 1  -68    0    4 o   9.1310   0.8520   9.1310   0.8520   9.1310   0.8520 0.000000 0.000000 
1 1 1  -68    0    5 o   9.9530   0.7309   9.9530   0.7309   9.9530   0.7309 -0.000000 0.000000 
1 1 1  -68    0    6 o   13.130   0.5256   13.130   0.5256   13.130   0.5256 -0.000000 0.000000 
1 1 1  -68    0    7 o   4.3780   1.6180   4.3780   1.6180   4.3780   1.6180 0.000000 0.000000 
1 1 1  -68    0    8 o   4.7130   1.4890   4.7130   1.4890   4.7130   1.4890 0.000000 0.000000 
1 1 1  -68    0    9 o   2.6040   1.4810   2.6040   1.4810   2.6040   1.4810 -0.000000 0.000000 
1 1 1  -68    0   10 o   7.6270   0.8444   7.6270   0.8444   7.6270   0.8444 0.000000 0.000000 
1 1 1  -68    0   11 o   11.230   0.5818   11.230   0.5818   11.230   0.5818 -0.000000 0.000000 
1 1 1  -68    0   12 o   10.150   0.6500   10.150   0.6500   10.150   0.6500 0.000000 0.000000 
1 1 1  -68    0   13 o   9.5910   0.6799   9.5910   0.6799   9.5910   0.6799 -0.000000 0.000000 
1 1 1  -68    0   14 o   5.7810   1.6400   5.7810   1.6400   5.7810   1.6400 0.000000 0.000000 
1 1 1  -68    0   15 o   7.3110   1.3030   7.3110   1.3030   7.3110   1.3030 -0.000000 0.000000 
1 1 1  -68    0   16 o   12.650   0.5861   12.650   0.5861   12.650   0.5861 0.000000 0.000000 
1 1 1  -68    0   17 o   9.6880   0.8017   9.6880   0.8017   9.6880   0.8017 0.000000 0.000000 
1 1 1  -68    0   18 o   8.6990   1.0010   8.6990   1.0010   8.6990   1.0010 0.000000 0.000000 
1 1 1  -68    0   19 o   1.6050   1.1470   1.6050   1.1470   1.6050   1.1470 -0.000000 0.000000 
1 1 1  -68    0   20 o   12.750   0.7100   12.750   0.7100   12.750   0.7100 -0.000000 0.000000 
1 1 1  -68    0   21 o   5.9160   1.7650   5.9160   1.7650   5.9160   1.7650 0.000000 0.000000 
1 1 1  -68    0   22 o   10.050   0.9571   10.050   0.9571   10.050   0.9571 0.000000 0.000000 
1 1 1  -68    0   23 o   15.210   0.6375   15.210   0.6375   15.210   0.6375 0.000000 0.000000 
1 1 1  -68    0   24 o   7.2920   1.9300   7.2920   1.9300   7.2920   1.9300 0.000000 0.000000 
1 1 1  -68    0   25 o   1.9060   1.3650   1.9060   1.3650   1.9060   1.3650 0.000000 0.000000 
1 1 1  -68    0   26 o   2.1810   1.5280   2.1810   1.5280   2.1810   1.5280 0.000000 0.000000 
1 1 1  -68    2    1 o   8.0130   0.7785   8.6150   1.1250   7.4100   1.0770 1.205000 1.557000 
1 1 1  -68    2    2 o   3.2480   0.9688   3.1240   1.3550   3.3720   1.3850 -0.2478000 1.938000 
1 1 1  -68    2    3 o   6.3280   0.8300   6.5530   1.1910   6.1030   1.1570 0.4503000 1.660000 
1 1 1  -68    2    4 o   8.2880   0.6417   8.3010   1.0330   8.2750   0.7615 0.2565000E-01 1.283000 
1 1 1  -68    2    5 o   10.710   0.5427   10.400   0.7739   11.020   0.7610 -0.6236000 1.085000 
1 1 1  -68    2    6 o   15.040   0.3444   14.500   0.4154   15.580   0.5494 -1.078000 0.6888000 
1 1 1  -68    2    7 o   16.040   0.5107   16.520   0.8715   15.560   0.5326 0.9602000 1.021000 
1 1 1  -68    2    8 o   4.2950   1.1250   5.6400   1.9120   2.9500   1.1860 2.689000 2.250000 
1 1 1  -68    2    9 o   3.8990   1.0600   3.9360   1.7230   3.8620   1.2350 0.7415000E-01 2.120000 
1 1 1  -68    2   10 o   4.2200   1.1610   4.5360   1.7860   3.9050   1.4840 0.6307000 2.322000 
1 1 1  -68    2   11 o   10.640   0.5014   9.7980   0.6376   11.490   0.7739 -1.687000 1.003000 
1 1 1  -68    2   12 o   9.8580   0.6361   9.9010   0.8209   9.8140   0.9719 0.8661000E-01 1.272000 
1 1 1  -68    2   13 o   5.4210   0.9596   5.5510   1.4790   5.2920   1.2230 0.2594000 1.919000 
1 1 1  -68    2   14 o   7.8350   0.6375   8.2620   0.8416   7.4080   0.9579 0.8538000 1.275000 
1 1 1  -68    2   15 o   6.0520   0.8733   6.4710   1.1250   5.6320   1.3360 0.8390000 1.747000 
1 1 1  -68    2   16 o   8.5620   0.6211   8.0840   0.9064   9.0390   0.8493 -0.9550000 1.242000 
1 1 1  -68    2   17 o   3.9070   1.0880   4.2670   1.5820   3.5470   1.4940 0.7205000 2.176000 
1 1 1  -68    2   18 o   7.2950   0.9596   6.7830   1.4480   7.8060   1.2600 -1.023000 1.919000 
1 1 1  -68    2   19 o   5.2180   1.0460   5.8490   1.4220   4.5870   1.5340 1.263000 2.092000 
1 1 1  -68    2   20 o   11.730   0.5398   12.180   0.7294   11.290   0.7959 0.8869000 1.080000 
1 1 1  -68    2   21 o   11.330   0.5861   11.590   0.8305   11.080   0.8272 0.5109000 1.172000 
1 1 1  -68    2   22 o   13.050   0.5198   13.550   0.7267   12.550   0.7435 0.9926000 1.040000 
1 1 1  -68    2   23 f   2.4240   0.8450   2.6450   1.2810   2.2020   1.1020 0.4428000 1.690000 
1 1 1  -68    2   24 o   2.9830   0.9671   2.3290   1.1410   3.6360   1.5620 -1.307000 1.934000 
1 1 1  -68    2   25 f   2.4280   0.8376   2.6020   1.2430   2.2540   1.1240 0.3486000 1.675000 
1 1 1  -68    2   26 f   2.3660   1.2150   2.3660   1.2150  ?   ?       ?      ? 
1 1 1  -68    4    1 o   8.5510   0.7186   8.9900   0.9830   8.1130   1.0480 0.8765000 1.437000 
1 1 1  -68    4    2 o   6.9390   0.7797   6.2850   1.2230   7.5940   0.9674 -1.309000 1.559000 
1 1 1  -68    4    3 o   10.130   1.1260   11.380   1.2460   8.8750   1.8770 2.507000 2.253000 
1 1 1  -68    4    4 o   6.4210   1.3890   7.1260   1.8450   5.7170   2.0760 1.410000 2.777000 
1 1 1  -68    4    5 o   6.5570   1.1470   9.2160   1.4620   3.8970   1.7690 5.319000 2.295000 
1 1 1  -68    4    6 o   12.680   0.7746   12.490   1.0430   12.870   1.1460 -0.3827000 1.549000 
1 1 1  -68    4    7 o   15.900   0.6142   16.140   0.8121   15.660   0.9216 0.4837000 1.228000 
1 1 1  -68    4    8 o   11.160   0.8863   12.490   0.9810   9.8400   1.4760 2.646000 1.773000 
1 1 1  -68    4    9 o   6.7920   1.2320   8.4150   1.5050   5.1690   1.9500 3.246000 2.463000 
1 1 1  -68    4   10 o   11.010   0.8496   11.090   1.1320   10.940   1.2670 0.1563000 1.699000 
1 1 1  -68    4   11 o   10.880   0.9602   11.490   1.0470   10.270   1.6100 1.219000 1.920000 
1 1 1  -68    4   12 o   5.0220   1.2090   3.4880   1.5720   6.5560   1.8360 -3.068000 2.418000 
1 1 1  -68    4   13 o   7.1300   1.2110   6.3570   1.7550   7.9030   1.6690 -1.547000 2.422000 
1 1 1  -68    4   14 f   8.2370   1.0900   9.5910   1.2440   6.8840   1.7900 2.706000 2.180000 
1 1 1  -68    4   15 o   7.3580   0.8605   9.1050   0.8338   5.6120   1.5060 3.492000 1.721000 
1 1 1  -68    4   16 o   8.3250   0.6227   8.2840   0.8885   8.3660   0.8727 -0.8150000E-01 1.245000 
1 1 1  -68    4   17 o   5.9210   0.9390   5.4300   1.3620   6.4110   1.2930 -0.9812000 1.878000 
1 1 1  -68    4   18 o   7.4020   0.7768   6.5740   1.2100   8.2310   0.9742 -1.657000 1.554000 
1 1 1  -68    4   19 o   3.3260   1.0270   3.8010   1.5560   2.8520   1.3390 0.9491000 2.053000 
1 1 1  -68    4   20 o   7.0900   0.8738   6.7230   1.2780   7.4570   1.1920 -0.7346000 1.748000 
1 1 1  -68    4   21 o   19.080   0.4288   19.200   0.6036   18.970   0.6093 0.2369000 0.8577000 
1 1 1  -68    4   22 o   2.3880   1.1790  ?   ?    2.3880   1.1790      ?      ? 
1 1 1  -68    4   23 o   2.7260   0.8989   3.0820   1.3760   2.3710   1.1570 0.7109000 1.798000 
1 1 1  -68    4   24 o   2.6190   0.8794   2.5740   1.2270   2.6630   1.2600 -0.8827000E-01 1.759000 
1 1 1  -68    4   25 o   4.4210   1.0630   5.4700   1.5520   3.3730   1.4530 2.097000 2.126000 
1 1 1  -68    6    1 o   5.2820   1.3300   5.2330   2.2900   5.3300   1.3510 -0.9786000E-01 2.659000 
1 1 1  -68    6    2 o   5.7420   1.5000   5.5320   2.0470   5.9510   2.1940 -0.4193000 3.001000 
1 1 1  -68    6    3 o   12.370   0.9448   12.080   1.2970   12.660   1.3750 -0.5792000 1.890000 
1 1 1  -68    6    4 o   7.0380   1.4170   7.9310   1.8500   6.1450   2.1460 1.786000 2.833000 
1 1 1  -68    6    5 o   8.3660   1.3040   8.9530   1.6540   7.7790   2.0160 1.173000 2.608000 
1 1 1  -68    6    6 o   9.6730   1.7310  ?   ?    9.6730   1.7310      ?      ? 
1 1 1  -68    6    7 o   19.760   0.5960   20.140   0.7734   19.370   0.9069 0.7678000 1.192000 
1 1 1  -68    6    8 o   9.0730   1.1650   8.1250   1.6810   10.020   1.6120 -1.895000 2.329000 
1 1 1  -68    6    9 o   5.3070   1.4090   4.7580   1.8710   5.8550   2.1070 -1.097000 2.818000 
1 1 1  -68    6   10 o   7.3440   1.3760   6.4460   1.9190   8.2410   1.9730 -1.796000 2.752000 
1 1 1  -68    6   11 o   6.2180   2.3050  ?   ?    6.2180   2.3050      ?      ? 
1 1 1  -68    6   12 o   3.5090   1.1440   3.1430   1.4980   3.8750   1.7300 -0.7320000 2.289000 
1 1 1  -68    6   13 o   5.4420   1.2540   6.9460   1.7990   3.9370   1.7490 3.009000 2.509000 
1 1 1  -68    6   14 o   4.6530   1.3180   4.2920   1.7940   5.0140   1.9300 -0.7216000 2.635000 
1 1 1  -68    6   15 o   6.9670   1.2790   7.8650   1.6510   6.0690   1.9540 1.796000 2.558000 
1 1 1  -68    6   16 o   3.8000   1.1830   4.2150   1.7580   3.3850   1.5830 0.8300000 2.366000 
1 1 1  -68    6   17 o   6.7360   0.9011   6.9680   1.3840   6.5040   1.1550 0.4644000 1.802000 
1 1 1  -68    6   18 o   2.7470   0.9111   2.6190   1.2420   2.8750   1.3330 -0.2556000 1.822000 
1 1 1  -68    6   19 o   3.7620   1.0620   2.9880   1.3750   4.5370   1.6190 -1.549000 2.124000 
1 1 1  -68    6   20 o   3.0010   0.9827   2.4180   1.1900   3.5830   1.5640 -1.166000 1.965000 
1 1 1  -68    6   21 o   4.4900   1.0140   5.6920   1.4300   3.2880   1.4370 2.404000 2.028000 
1 1 1  -68    6   22 o   5.7230   1.0720   5.9140   1.4850   5.5320   1.5460 0.3817000 2.144000 
1 1 1  -68    6   23 o   7.4910   0.9098   9.0880   1.0070   5.8930   1.5150 3.195000 1.820000 
1 1 1  -68    6   24 o   3.1210   0.9793   2.7330   1.2830   3.5100   1.4800 -0.7770000 1.959000 
1 1 1  -68    6   25 o   2.9920   1.0600   3.4350   1.6770   2.5490   1.2980 0.8865000 2.121000 
1 1 1  -68    8    1 f   5.0660   1.6150   5.3580   2.3530   4.7730   2.2140 0.5848000 3.230000 
1 1 1  -68    8    2 o   5.9480   1.7270   5.0280   2.2680   6.8690   2.6040 -1.841000 3.453000 
1 1 1  -68    8    3 o   7.1310   1.7980   8.0930   2.5980   6.1690   2.4860 1.924000 3.596000 
1 1 1  -68    8    4 o   6.1480   1.7210   5.2980   2.3040   6.9980   2.5580 -1.700000 3.443000 
1 1 1  -68    8    5 o   6.4870   1.4670   7.5800   2.0040   5.3940   2.1430 2.186000 2.934000 
1 1 1  -68    8    6 o   7.1040   1.4610   5.9150   2.0340   8.2930   2.0990 -2.379000 2.923000 
1 1 1  -68    8    7 o   6.5640   1.4840   6.3090   2.0100   6.8190   2.1840 -0.5104000 2.968000 
1 1 1  -68    8    8 o   4.5010   1.3590   4.4970   1.8790   4.5050   1.9650 -0.7963000E-02 2.718000 
1 1 1  -68    8    9 f   6.9140   1.3860   7.9550   1.7740   5.8730   2.1300 2.082000 2.772000 
1 1 1  -68    8   10 o   6.9980   1.5630   6.7610   1.9460   7.2360   2.4450 -0.4752000 3.125000 
1 1 1  -68    8   11 o   4.0300   1.2710   3.8850   1.7420   4.1750   1.8520 -0.2897000 2.543000 
1 1 1  -68    8   12 o   6.1420   1.6020   6.4080   2.4820   5.8760   2.0270 0.5323000 3.204000 
1 1 1  -68    8   13 o   3.8320   1.3100   3.2740   1.6390   4.3890   2.0440 -1.116000 2.620000 
1 1 1  -68    8   14 o   5.6960   1.6860   6.1040   2.4730   5.2880   2.2930 0.8159000 3.372000 
1 1 1  -68    8   15 o   4.9210   1.5370   4.1070   1.9570   5.7350   2.3710 -1.628000 3.074000 
1 1 1  -68    8   16 o   3.5960   1.1760   3.3860   1.5870   3.8070   1.7360 -0.4211000 2.352000 
1 1 1  -68    8   17 o   4.3220   1.2740   4.8940   1.8950   3.7500   1.7050 1.144000 2.549000 
1 1 1  -68    8   18 f   7.2930   0.7974   7.5750   1.1440   7.0110   1.1110 0.5632000 1.595000 
1 1 1  -68    8   19 o   3.6760   0.9771   4.5310   1.4640   2.8200   1.2940 1.711000 1.954000 
1 1 1  -68    8   20 o   13.710   0.4452   13.670   0.6187   13.760   0.6403 -0.9623000E-01 0.8904000 
1 1 1  -68    8   21 o   2.4810   0.8618   2.0300   1.0280   2.9330   1.3840 -0.9029000 1.724000 
1 1 1  -68    8   22 o   2.8910   0.9502   3.1260   1.4140   2.6560   1.2700 0.4700000 1.900000 
1 1 1  -68    8   23 o   2.1910   0.7705   2.3270   1.1460   2.0550   1.0310 0.2712000 1.541000 
1 1 1  -68    8   24 o   4.4480   1.0790   3.7580   1.5110   5.1390   1.5400 -1.381000 2.158000 
1 1 1  -68   10    1 o   11.030   1.4240   12.530   2.1200   9.5340   1.9010 2.999000 2.848000 
1 1 1  -68   10    2 o   5.0200   1.4570   5.6840   2.1640   4.3570   1.9500 1.327000 2.914000 
1 1 1  -68   10    3 o   5.4080   1.5110   5.8960   2.1900   4.9200   2.0810 0.9764000 3.021000 
1 1 1  -68   10    4 o   3.6740   1.2310   3.6790   1.7380   3.6700   1.7440 0.8354000E-02 2.462000 
1 1 1  -68   10    5 o   4.0570   1.3070   4.2590   1.9000   3.8560   1.7960 0.4028000 2.615000 
1 1 1  -68   10    6 f   3.6730   1.2180   3.3870   1.6220   3.9600   1.8180 -0.5731000 2.437000 
1 1 1  -68   10    7 o   4.7470   1.3960   3.9080   1.7810   5.5860   2.1510 -1.678000 2.792000 
1 1 1  -68   10    8 o   7.4500   1.4550   7.7840   1.9800   7.1160   2.1330 0.6682000 2.910000 
1 1 1  -68   10    9 o   3.7460   1.2220   2.9720   1.4590   4.5200   1.9600 -1.549000 2.444000 
1 1 1  -68   10   10 o   4.4630   1.3650   4.9550   1.9650   3.9710   1.8950 0.9837000 2.729000 
1 1 1  -68   10   11 o   6.3670   1.3760   7.7830   1.8790   4.9500   2.0100 2.833000 2.751000 
1 1 1  -68   10   12 o   7.4470   1.3390   8.7260   1.6860   6.1680   2.0810 2.558000 2.679000 
1 1 1  -68   10   13 o   5.0820   1.3780   4.2380   1.8200   5.9260   2.0710 -1.689000 2.757000 
1 1 1  -68   10   14 o   10.050   1.0760   9.7930   1.5000   10.300   1.5430 -0.5108000 2.152000 
1 1 1  -68   10   15 o   11.190   0.9734   11.980   1.2210   10.400   1.5160 1.583000 1.947000 
1 1 1  -68   10   16 o   3.6730   1.2000   3.3960   1.6020   3.9500   1.7880 -0.5537000 2.401000 
1 1 1  -68   10   17 o   3.2310   1.0940   2.8880   1.4140   3.5750   1.6700 -0.6869000 2.188000 
1 1 1  -68   10   18 o   3.3290   0.9893   2.8730   1.2760   3.7850   1.5120 -0.9114000 1.979000 
1 1 1  -68   10   19 o   4.2520   1.0200   3.1910   1.3640   5.3120   1.5170 -2.121000 2.040000 
1 1 1  -68   10   20 o   2.6950   0.8864   3.3060   1.4380   2.0850   1.0370 1.221000 1.773000 
1 1 1  -68   10   21 o   2.7960   0.9635   2.7400   1.3420   2.8520   1.3830 -0.1115000 1.927000 
1 1 1  -68   10   22 o   3.1290   0.9516   3.7140   1.4730   2.5440   1.2050 1.171000 1.903000 
1 1 1  -68   10   23 o   3.0750   0.9794   2.7670   1.3280   3.3820   1.4400 -0.6154000 1.959000 
1 1 1  -68   12    1 o   4.1060   1.4070   3.9110   1.8990   4.3020   2.0780 -0.3914000 2.815000 
1 1 1  -68   12    2 o   4.6490   2.0530  ?   ?    4.6490   2.0530      ?      ? 
1 1 1  -68   12    3 f   3.5250   1.1930   3.9720   1.8310   3.0770   1.5290 0.8952000 2.386000 
1 1 1  -68   12    4 o   4.6740   1.4740   4.7600   2.0250   4.5870   2.1430 0.1728000 2.948000 
1 1 1  -68   12    5 o   7.1770   1.5600   7.6520   2.1690   6.7020   2.2420 0.9499000 3.119000 
1 1 1  -68   12    6 o   5.3670   1.5000   6.0030   2.1960   4.7310   2.0450 1.272000 3.000000 
1 1 1  -68   12    7 o   12.320   1.1140   14.760   1.1860   9.8770   1.8870 4.881000 2.229000 
1 1 1  -68   12    8 f   5.3880   1.4780   4.7810   1.9880   5.9940   2.1880 -1.213000 2.956000 
1 1 1  -68   12    9 o   5.6480   1.5680   5.9670   2.1080   5.3280   2.3220 0.6393000 3.136000 
1 1 1  -68   12   10 o   6.2330   1.5020   6.4940   2.0900   5.9730   2.1570 0.5214000 3.004000 
1 1 1  -68   12   11 o   8.3750   1.3770   9.1920   1.7620   7.5580   2.1170 1.634000 2.754000 
1 1 1  -68   12   12 o   13.890   0.8371   13.900   1.1320   13.890   1.2330 0.1167000E-01 1.674000 
1 1 1  -68   12   13 o   9.6050   1.2460   11.220   1.3840   7.9870   2.0720 3.237000 2.492000 
1 1 1  -68   12   14 o   6.2440   1.6780   6.2000   2.3050   6.2880   2.4390 -0.8770000E-01 3.356000 
1 1 1  -68   12   15 o   4.3730   1.4280   4.2270   1.9510   4.5200   2.0850 -0.2934000 2.856000 
1 1 1  -68   12   16 o   3.9880   1.3330   3.8540   1.8290   4.1210   1.9400 -0.2672000 2.666000 
1 1 1  -68   12   17 o   5.8340   1.6220   5.2530   2.2130   6.4150   2.3720 -1.162000 3.244000 
1 1 1  -68   12   18 o   5.0040   0.9823   5.8510   1.2920   4.1580   1.4800 1.693000 1.965000 
1 1 1  -68   12   19 o   2.5050   0.8209   2.5230   1.1610   2.4860   1.1610 0.3713000E-01 1.642000 
1 1 1  -68   12   20 o   2.5450   0.8380   2.1220   1.0410   2.9680   1.3130 -0.8457000 1.676000 
1 1 1  -68   12   21 o   3.9510   1.1530   3.6880   1.5830   4.2140   1.6780 -0.5260000 2.307000 
1 1 1  -68   14    1 o   3.4110   1.1730   3.5560   1.7090   3.2650   1.6060 0.2913000 2.346000 
1 1 1  -68   14    2 o   4.9780   1.5530   5.9240   2.4730   4.0320   1.8790 1.892000 3.106000 
1 1 1  -68   14    3 o   4.3890   1.3830   4.8820   2.0660   3.8960   1.8400 0.9864000 2.766000 
1 1 1  -68   14    4 o   4.8880   1.4430   5.6960   2.1750   4.0800   1.8970 1.616000 2.886000 
1 1 1  -68   14    5 o   3.7980   1.2720   3.7850   1.7830   3.8110   1.8140 -0.2520000E-01 2.543000 
1 1 1  -68   14    6 o   8.8400   1.4690   8.1500   2.1150   9.5290   2.0390 -1.380000 2.938000 
1 1 1  -68   14    7 o   5.1130   1.4850   4.2610   1.9050   5.9640   2.2780 -1.703000 2.970000 
1 1 1  -68   14    8 o   3.2760   1.1290   3.5150   1.6740   3.0370   1.5140 0.4786000 2.257000 
1 1 1  -68   14    9 o   5.4170   1.5880   5.2210   2.0680   5.6130   2.4100 -0.3915000 3.175000 
1 1 1  -68   14   10 o   4.7160   1.4130   4.9900   2.0220   4.4430   1.9740 0.5471000 2.826000 
1 1 1  -68   14   11 o   3.7080   1.2210   3.3930   1.6070   4.0230   1.8390 -0.6304000 2.442000 
1 1 1  -68   14   12 o   3.7530   1.2190   4.1570   1.8220   3.3500   1.6220 0.8070000 2.439000 
1 1 1  -68   14   13 o   4.0920   1.2730   4.6910   1.9230   3.4930   1.6690 1.198000 2.546000 
1 1 1  -68   14   14 o   4.6380   1.3770   4.3420   1.8670   4.9340   2.0250 -0.5916000 2.754000 
1 1 1  -68   14   15 o   3.6660   1.2000   3.1010   1.5060   4.2300   1.8700 -1.129000 2.401000 
1 1 1  -68   14   16 f   2.6480   0.9375   2.8390   1.4040   2.4570   1.2420 0.3824000 1.875000 
1 1 1  -68   14   17 o   2.9000   1.0090   3.1520   1.5220   2.6480   1.3250 0.5041000 2.018000 
1 1 1  -68   14   18 o   3.6930   1.0020   4.2150   1.4720   3.1710   1.3600 1.044000 2.004000 
1 1 1  -68   14   19 o   3.4200   0.9322   2.5820   1.1920   4.2580   1.4340 -1.676000 1.864000 
1 1 1  -68   16    1 o   4.0580   1.0220   2.8280   1.3100   5.2890   1.5680 -2.461000 2.043000 
1 1 1  -68   16    2 o   3.3750   1.1770   3.1730   1.6040   3.5760   1.7240 -0.4023000 2.355000 
1 1 1  -68   16    3 o   3.0020   1.0580   2.8540   1.4320   3.1500   1.5590 -0.2957000 2.116000 
1 1 1  -68   16    4 o   3.8890   1.2810   4.4170   1.9680   3.3600   1.6410 1.057000 2.563000 
1 1 1  -68   16    5 o   4.2700   1.3690   4.2130   1.9050   4.3260   1.9660 -0.1130000 2.737000 
1 1 1  -68   16    6 f   3.8490   1.2610   4.5340   1.9800   3.1650   1.5610 1.370000 2.522000 
1 1 1  -68   16    7 o   3.6050   1.1970   4.4170   1.9360   2.7930   1.4070 1.624000 2.394000 
1 1 1  -68   16    8 o   2.8530   1.0100   3.0200   1.4930   2.6870   1.3610 0.3333000 2.020000 
1 1 1  -68   16    9 o   8.5770   1.6050   8.6880   1.9610   8.4670   2.5410 0.2211000 3.210000 
1 1 1  -68   16   10 o   3.1900   1.1010   3.4780   1.6600   2.9020   1.4470 0.5755000 2.202000 
1 1 1  -68   16   11 o   4.0920   1.2960   3.7840   1.7460   4.3990   1.9170 -0.6152000 2.593000 
1 1 1  -68   16   12 o   2.8290   0.9949   2.5730   1.2950   3.0860   1.5110 -0.5129000 1.990000 
1 1 1  -68   16   13 o   3.5440   1.1760   3.6990   1.7060   3.3890   1.6180 0.3107000 2.351000 
1 1 1  -68   16   14 o   3.7320   1.2140   4.0730   1.8130   3.3910   1.6160 0.6819000 2.429000 
1 1 1  -68   16   15 o   2.1590   0.7813   2.1910   1.1200   2.1270   1.0900 0.6362000E-01 1.563000 
1 1 1  -68   16   16 o   2.2900   0.8235   2.3750   1.2030   2.2050   1.1260 0.1697000 1.647000 
1 1 1  -68   18    1 o   3.5030   1.0190   3.1300   1.3720   3.8760   1.5060 -0.7458000 2.037000 
1 1 1  -68   18    2 o   2.3890   0.8006   1.9940   0.9841   2.7850   1.2630 -0.7909000 1.601000 
1 1 1  -68   18    3 o   3.1410   0.9628   3.5510   1.4800   2.7300   1.2320 0.8219000 1.926000 
1 1 1  -68   18    4 o   3.8890   1.2890   3.7980   1.7870   3.9790   1.8570 -0.1809000 2.578000 
1 1 1  -68   18    5 o   2.9720   1.0470   2.9050   1.4490   3.0390   1.5120 -0.1342000 2.094000 
1 1 1  -68   18    6 o   2.7550   0.9788   2.8320   1.4190   2.6780   1.3490 0.1535000 1.958000 
1 1 1  -68   18    7 o   2.7110   0.9642   2.8160   1.4080   2.6050   1.3180 0.2106000 1.928000 
1 1 1  -68   18    8 o   2.5910   0.9277   2.4880   1.2630   2.6940   1.3590 -0.2068000 1.855000 
1 1 1  -68   18    9 o   2.5140   0.9155   2.1300   1.0940   2.8980   1.4680 -0.7675000 1.831000 
1 1 1  -68   18   10 o   2.3320   0.8418   2.3290   1.1870   2.3360   1.1940 -0.6500000E-02 1.684000 
1 1 1  -68   18   11 o   2.5370   0.9080   2.1970   1.1240   2.8770   1.4260 -0.6799000 1.816000 
1 1 1  -68   18   12 o   2.7640   0.9758   2.4840   1.2560   3.0430   1.4940 -0.5588000 1.952000 
1 1 1  -68   18   13 o   2.0490   1.0630   2.0490   1.0630  ?   ?       ?      ? 
1 1 1  -67    1    1 f   4.2550   1.2230   4.3390   1.7420   4.1710   1.7160 0.1678000 2.445000 
1 1 1  -67    1    2 o   5.6740   0.9976   6.1080   1.3870   5.2400   1.4340 0.8681000 1.995000 
1 1 1  -67    1    3 o   6.8100   0.9367   6.0750   1.5180   7.5450   1.0990 -1.470000 1.873000 
1 1 1  -67    1    4 o   6.2120   0.9306   4.9970   1.5500   7.4280   1.0300 -2.431000 1.861000 
1 1 1  -67    1    5 o   5.5480   0.9664   5.7710   1.3900   5.3260   1.3430 0.4446000 1.933000 
1 1 1  -67    1    6 o   4.4690   0.9468   4.1530   1.3740   4.7860   1.3030 -0.6337000 1.894000 
1 1 1  -67    1    7 o   6.7080   0.7923   5.8510   1.3590   7.5650   0.8142 -1.714000 1.585000 
1 1 1  -67    1    8 o   6.1370   0.8382   5.2220   1.4600   7.0520   0.8240 -1.830000 1.676000 
1 1 1  -67    1    9 o   3.9750   0.9704   3.7710   1.4690   4.1800   1.2680 -0.4085000 1.941000 
1 1 1  -67    1   10 o   7.7950   0.5531   7.3580   0.8296   8.2330   0.7316 -0.8759000 1.106000 
1 1 1  -67    1   11 o   10.540   0.4385   10.890   0.6369   10.190   0.6029 0.6981000 0.8769000 
1 1 1  -67    1   12 o   3.2950   0.9364   3.6380   1.3830   2.9510   1.2630 0.6863000 1.873000 
1 1 1  -67    1   13 f   3.1060   0.9170   2.4590   1.1740   3.7530   1.4090 -1.294000 1.834000 
1 1 1  -67    1   14 o   15.730   0.3566   15.680   0.4920   15.780   0.5164 -0.1008000 0.7133000 
1 1 1  -67    1   15 o   11.940   0.4478   12.310   0.5926   11.580   0.6715 0.7282000 0.8956000 
1 1 1  -67    1   16 o   8.1150   0.7702   7.2550   1.2270   8.9740   0.9315 -1.719000 1.540000 
1 1 1  -67    1   17 o   5.9330   0.9982   5.8870   1.4930   5.9790   1.3260 -0.9142000E-01 1.996000 
1 1 1  -67    1   18 o   9.5060   0.6115   9.2210   0.8777   9.7900   0.8518 -0.5693000 1.223000 
1 1 1  -67    1   19 o   9.3160   0.6613   9.3330   0.9349   9.3000   0.9356 0.3231000E-01 1.323000 
1 1 1  -67    1   20 o   4.1720   1.1070   4.3630   1.5810   3.9800   1.5490 0.3824000 2.213000 
1 1 1  -67    1   21 f   10.220   0.6506   10.130   0.9322   10.310   0.9078 -0.1781000 1.301000 
1 1 1  -67    1   22 o   15.560   0.4445   15.660   0.6296   15.470   0.6275 0.1884000 0.8889000 
1 1 1  -67    1   23 o   9.3050   0.7946   8.6350   1.2760   9.9740   0.9479 -1.339000 1.589000 
1 1 1  -67    1   24 o   4.1200   1.1720   3.9270   1.6260   4.3120   1.6890 -0.3848000 2.345000 
1 1 1  -67    1   25 o   3.4940   1.0540   4.3010   1.6620   2.6880   1.2960 1.612000 2.107000 
1 1 1  -67    1   26 o   6.2240   1.0640   6.0040   1.5390   6.4430   1.4700 -0.4385000 2.128000 
1 1 1  -67    3    1 o   8.4960   0.6750   8.7110   1.0250   8.2800   0.8780 0.4309000 1.350000 
1 1 1  -67    3    2 o   4.2120   0.9707   3.4360   1.4400   4.9890   1.3030 -1.553000 1.941000 
1 1 1  -67    3    3 o   3.5140   0.9758   4.1650   1.4830   2.8630   1.2690 1.303000 1.952000 
1 1 1  -67    3    4 o   10.500   0.7232   9.6320   1.3200   11.370   0.5912 -1.741000 1.446000 
1 1 1  -67    3    5 o   14.960   0.6616   14.390   0.8648   15.530   1.0010 -1.135000 1.323000 
1 1 1  -67    3    6 o   7.0190   1.2760   6.1410   1.8030   7.8970   1.8050 -1.756000 2.551000 
1 1 1  -67    3    7 o   16.450   0.5915   16.620   0.7664   16.290   0.9012 0.3248000 1.183000 
1 1 1  -67    3    8 o   5.8800   1.2550   6.8840   1.6480   4.8750   1.8920 2.010000 2.509000 
1 1 1  -67    3    9 o   4.0470   1.2030   3.6870   1.6090   4.4070   1.7890 -0.7202000 2.406000 
1 1 1  -67    3   10 o   3.4970   1.1130   3.5640   1.5750   3.4290   1.5730 0.1349000 2.226000 
1 1 1  -67    3   11 o   12.250   0.7200   14.140   0.8307   10.360   1.1760 3.778000 1.440000 
1 1 1  -67    3   12 o   9.4280   0.8803   9.9260   1.1490   8.9300   1.3340 0.9965000 1.761000 
1 1 1  -67    3   13 o   15.100   0.3631   15.120   0.4501   15.090   0.5700 0.3094000E-01 0.7263000 
1 1 1  -67    3   14 o   13.610   0.3947   14.300   0.5902   12.910   0.5241 1.386000 0.7893000 
1 1 1  -67    3   15 o   12.920   0.4133   11.890   0.6268   13.950   0.5390 -2.065000 0.8266000 
1 1 1  -67    3   16 o   7.1160   0.7682   6.7120   1.1160   7.5190   1.0560 -0.8070000 1.536000 
1 1 1  -67    3   17 o   10.240   0.5512   10.450   0.7462   10.030   0.8115 0.4188000 1.102000 
1 1 1  -67    3   18 o   16.660   0.4452   16.890   0.6340   16.420   0.6253 0.4718000 0.8905000 
1 1 1  -67    3   19 o   3.1040   0.9542   2.5670   1.2130   3.6400   1.4740 -1.073000 1.908000 
1 1 1  -67    3   20 o   10.040   0.6255   9.7060   0.8915   10.380   0.8778 -0.6748000 1.251000 
1 1 1  -67    3   21 o   20.240   0.3567   20.590   0.4969   19.890   0.5118 0.6964000 0.7133000 
1 1 1  -67    3   22 o   24.840   0.3843   24.180   0.5637   25.500   0.5223 -1.324000 0.7685000 
1 1 1  -67    3   23 o   13.320   0.5428   13.310   0.7305   13.320   0.8030 -0.8914000E-02 1.086000 
1 1 1  -67    3   24 o   3.1090   0.9873   3.0640   1.3840   3.1550   1.4090 -0.9020000E-01 1.975000 
1 1 1  -67    3   25 o   3.3810   1.0050   4.1790   1.5830   2.5830   1.2390 1.595000 2.010000 
1 1 1  -67    3   26 o   2.3930   0.8343   2.4330   1.1950   2.3540   1.1650 0.7889000E-01 1.669000 
1 1 1  -67    5    1 o   4.3960   1.0310   5.0080   1.4920   3.7830   1.4230 1.225000 2.062000 
1 1 1  -67    5    2 o   4.1770   1.3130   4.1990   1.8230   4.1560   1.8900 0.4345000E-01 2.626000 
1 1 1  -67    5    3 o   3.8130   1.2160   4.5040   1.8880   3.1220   1.5350 1.382000 2.433000 
1 1 1  -67    5    4 o   4.2910   1.3000   4.7180   1.8970   3.8640   1.7790 0.8540000 2.601000 
1 1 1  -67    5    5 o   4.1420   1.2750   4.5810   1.8790   3.7030   1.7230 0.8780000 2.550000 
1 1 1  -67    5    6 o   5.1250   1.3960   5.4900   1.9540   4.7610   1.9940 0.7289000 2.792000 
1 1 1  -67    5    7 o   5.0260   1.3110   6.0910   1.9190   3.9610   1.7860 2.130000 2.622000 
1 1 1  -67    5    8 o   5.1020   1.2510   3.2120   1.5100   6.9920   1.9960 -3.780000 2.503000 
1 1 1  -67    5    9 o   3.9510   1.2240   4.3030   1.7840   3.5990   1.6770 0.7039000 2.449000 
1 1 1  -67    5   10 o   12.250   0.8282   13.260   1.0020   11.240   1.3190 2.025000 1.656000 
1 1 1  -67    5   11 o   9.1590   1.2180   9.5310   1.3800   8.7880   2.0080 0.7425000 2.436000 
1 1 1  -67    5   12 o   4.2970   1.2490   4.4610   1.7790   4.1330   1.7550 0.3284000 2.499000 
1 1 1  -67    5   13 o   5.9010   1.3110   6.2610   1.8040   5.5410   1.9030 0.7198000 2.622000 
1 1 1  -67    5   14 o   9.9480   0.9624   8.5840   1.5060   11.310   1.1990 -2.727000 1.925000 
1 1 1  -67    5   15 o   11.790   0.6428   11.630   1.0870   11.940   0.6862 -0.3090000 1.286000 
1 1 1  -67    5   16 o   6.1920   0.8735   6.3870   1.2910   5.9970   1.1770 0.3895000 1.747000 
1 1 1  -67    5   17 o   9.1320   0.6139   9.7180   0.7642   8.5460   0.9609 1.172000 1.228000 
1 1 1  -67    5   18 f   2.8830   0.9229   2.8430   1.2870   2.9220   1.3230 -0.7839000E-01 1.846000 
1 1 1  -67    5   19 o   7.0330   1.1360   5.3530   1.9280   8.7120   1.2030 -3.359000 2.273000 
1 1 1  -67    5   20 o   10.870   0.8078   10.070   1.3560   11.670   0.8781 -1.599000 1.616000 
1 1 1  -67    5   21 o   17.230   0.3931   16.960   0.5475   17.490   0.5642 -0.5271000 0.7862000 
1 1 1  -67    5   22 o   11.200   0.5836   11.060   0.8148   11.350   0.8356 -0.2849000 1.167000 
1 1 1  -67    5   23 o   6.0250   1.0570   7.0460   1.3500   5.0040   1.6260 2.042000 2.113000 
1 1 1  -67    5   24 o   2.5290   0.8586   2.2410   1.1050   2.8170   1.3140 -0.5763000 1.717000 
1 1 1  -67    5   25 o   4.2100   1.0760   5.0860   1.5900   3.3340   1.4500 1.753000 2.152000 
1 1 1  -67    5   26 o   2.5120   1.2810   2.5120   1.2810  ?   ?       ?      ? 
1 1 1  -67    7    1 o   8.4010   1.5680   6.9320   2.5450   9.8710   1.8340 -2.940000 3.137000 
1 1 1  -67    7    2 o   4.3740   1.3540   4.1640   1.8460   4.5850   1.9830 -0.4209000 2.709000 
1 1 1  -67    7    3 o   4.1020   1.3020   4.2090   1.8450   3.9950   1.8370 0.2139000 2.604000 
1 1 1  -67    7    4 o   5.6900   1.4480   6.2460   2.0180   5.1340   2.0770 1.112000 2.896000 
1 1 1  -67    7    5 o   5.6920   1.4130   6.6060   1.9810   4.7780   2.0150 1.828000 2.826000 
1 1 1  -67    7    6 o   10.470   1.1050   10.430   1.4100   10.500   1.7020 -0.6677000E-01 2.210000 
1 1 1  -67    7    7 o   11.340   1.0290   12.360   1.1700   10.330   1.6930 2.033000 2.057000 
1 1 1  -67    7    8 o   6.9140   1.3790   8.2380   1.7420   5.5900   2.1370 2.649000 2.757000 
1 1 1  -67    7    9 o   7.7090   1.3400   6.3050   1.9260   9.1130   1.8650 -2.808000 2.681000 
1 1 1  -67    7   10 o   7.6100   1.5060   5.7720   1.9660   9.4490   2.2820 -3.678000 3.012000 
1 1 1  -67    7   11 o   9.0150   1.1770   6.6700   1.9330   11.360   1.3450 -4.689000 2.355000 
1 1 1  -67    7   12 o   4.4390   1.3070   4.2420   1.7920   4.6350   1.9030 -0.3922000 2.613000 
1 1 1  -67    7   13 o   5.9230   1.3770   5.4130   1.9060   6.4330   1.9870 -1.020000 2.753000 
1 1 1  -67    7   14 o   8.9730   1.1180   8.4750   1.5720   9.4710   1.5890 -0.9959000 2.235000 
1 1 1  -67    7   15 o   7.9920   1.4890   7.4250   2.4330   8.5600   1.7180 -1.135000 2.978000 
1 1 1  -67    7   16 o   5.3110   1.5400   6.5910   2.4060   4.0300   1.9240 2.561000 3.081000 
1 1 1  -67    7   17 o   4.8260   1.1320   5.4510   1.5700   4.2000   1.6310 1.251000 2.264000 
1 1 1  -67    7   18 f   10.700   0.5645   10.560   0.7530   10.840   0.8412 -0.2869000 1.129000 
1 1 1  -67    7   19 o   9.3510   0.6393   8.9010   0.9280   9.8010   0.8795 -0.8995000 1.279000 
1 1 1  -67    7   20 o   10.420   0.7509   9.3150   1.1580   11.520   0.9558 -2.206000 1.502000 
1 1 1  -67    7   21 o   3.9750   1.0810   4.1800   1.5190   3.7700   1.5370 0.4101000 2.161000 
1 1 1  -67    7   22 o   3.4040   1.0260   3.6900   1.5040   3.1170   1.3960 0.5735000 2.052000 
1 1 1  -67    7   23 o   2.8430   0.9285   2.8350   1.3100   2.8500   1.3160 -0.1545000E-01 1.857000 
1 1 1  -67    7   24 o   2.2420   0.7893   2.2530   1.1220   2.2310   1.1110 0.2228000E-01 1.579000 
1 1 1  -67    7   25 o   3.6020   1.0440   3.1630   1.3960   4.0400   1.5530 -0.8768000 2.088000 
1 1 1  -67    9    1 o   9.7000   1.3380   9.7490   1.8450   9.6510   1.9380 0.9774000E-01 2.676000 
1 1 1  -67    9    2 o   10.180   1.2490   10.580   1.6600   9.7810   1.8660 0.7959000 2.498000 
1 1 1  -67    9    3 o   6.5450   1.7900   5.8460   2.4450   7.2430   2.6140 -1.397000 3.580000 
1 1 1  -67    9    4 o   4.6650   1.5170   5.3390   2.3350   3.9910   1.9360 1.348000 3.033000 
1 1 1  -67    9    5 o   5.6940   1.7330   4.9340   2.2550   6.4530   2.6320 -1.519000 3.466000 
1 1 1  -67    9    6 o   5.2210   1.6470   5.8700   2.4860   4.5710   2.1630 1.300000 3.295000 
1 1 1  -67    9    7 o   6.7710   1.7960   8.2840   2.6800   5.2580   2.3910 3.026000 3.592000 
1 1 1  -67    9    8 o   4.2880   1.4600   4.3060   2.0600   4.2700   2.0690 0.3607000E-01 2.920000 
1 1 1  -67    9    9 f   7.6890   1.8610   9.1560   2.6330   6.2220   2.6300 2.934000 3.722000 
1 1 1  -67    9   10 o   4.3560   1.4650   4.7600   2.2160   3.9520   1.9170 0.8076000 2.930000 
1 1 1  -67    9   11 o   7.3820   1.7340   9.4740   2.5830   5.2910   2.3130 4.182000 3.468000 
1 1 1  -67    9   12 o   7.8280   1.7170   6.0420   2.4710   9.6140   2.3830 -3.572000 3.433000 
1 1 1  -67    9   13 o   4.5390   1.3890   4.7700   1.9110   4.3080   2.0170 0.4623000 2.779000 
1 1 1  -67    9   14 o   11.000   0.9858   11.590   1.2470   10.400   1.5270 1.191000 1.972000 
1 1 1  -67    9   15 f   8.6630   1.2150   7.1820   1.8930   10.140   1.5220 -2.961000 2.429000 
1 1 1  -67    9   16 o   5.5020   1.4040   4.8040   1.9090   6.2000   2.0590 -1.396000 2.808000 
1 1 1  -67    9   17 o   13.540   0.6083   13.840   1.0420   13.230   0.6287 0.6104000 1.217000 
1 1 1  -67    9   18 o   4.4020   1.0590   4.2740   1.5250   4.5290   1.4700 -0.2553000 2.118000 
1 1 1  -67    9   19 o   3.3000   0.9849   3.2520   1.3650   3.3490   1.4200 -0.9720000E-01 1.970000 
1 1 1  -67    9   20 o   14.620   0.4362   14.370   0.6137   14.870   0.6200 -0.4992000 0.8724000 
1 1 1  -67    9   21 o   10.270   0.9184   10.110   1.3100   10.420   1.2870 -0.3080000 1.837000 
1 1 1  -67    9   22 o   3.2160   1.0220   3.9640   1.6520   2.4680   1.2020 1.496000 2.043000 
1 1 1  -67    9   23 o   3.4970   1.0210   2.9190   1.3330   4.0760   1.5480 -1.156000 2.043000 
1 1 1  -67    9   24 o   2.9510   0.9466   2.7520   1.2830   3.1510   1.3920 -0.3987000 1.893000 
1 1 1  -67   11    1 o   8.1430   1.5020   8.3200   2.0890   7.9660   2.1580 0.3535000 3.004000 
1 1 1  -67   11    2 o   5.8800   1.6600   4.9600   2.0740   6.7990   2.5930 -1.838000 3.320000 
1 1 1  -67   11    3 o   7.0020   1.5420   5.7960   2.1660   8.2080   2.1940 -2.411000 3.083000 
1 1 1  -67   11    4 o   6.9700   1.5730   7.2420   2.1650   6.6980   2.2820 0.5434000 3.145000 
1 1 1  -67   11    5 o   5.0190   1.4590   4.3980   1.9410   5.6400   2.1800 -1.242000 2.918000 
1 1 1  -67   11    6 o   3.6020   1.2090   3.4280   1.6440   3.7770   1.7720 -0.3486000 2.418000 
1 1 1  -67   11    7 o   3.9090   1.2740   3.7830   1.7530   4.0360   1.8480 -0.2523000 2.547000 
1 1 1  -67   11    8 o   3.6760   1.2130   4.0420   1.8210   3.3110   1.6040 0.7313000 2.426000 
1 1 1  -67   11    9 o   4.2130   1.3640   4.2000   1.8660   4.2250   1.9900 -0.2558000E-01 2.728000 
1 1 1  -67   11   10 o   3.5250   1.1720   3.9350   1.7810   3.1150   1.5230 0.8197000 2.343000 
1 1 1  -67   11   11 o   5.4850   1.4510   5.6170   2.0430   5.3520   2.0620 0.2651000 2.903000 
1 1 1  -67   11   12 o   13.730   0.8281   14.090   1.1170   13.370   1.2230 0.7166000 1.656000 
1 1 1  -67   11   13 o   12.690   0.8730   12.730   1.2040   12.650   1.2640 0.8573000E-01 1.746000 
1 1 1  -67   11   14 o   14.460   0.7874   13.770   1.1280   15.140   1.0990 -1.373000 1.575000 
1 1 1  -67   11   15 o   5.0780   1.4260   5.1650   2.0060   4.9910   2.0270 0.1741000 2.852000 
1 1 1  -67   11   16 o   3.4740   1.1640   3.6380   1.6920   3.3100   1.5980 0.3279000 2.327000 
1 1 1  -67   11   17 o   3.8690   1.3030   4.1150   1.9220   3.6230   1.7610 0.4924000 2.607000 
1 1 1  -67   11   18 o   3.4670   0.9694   2.6000   1.2310   4.3340   1.4980 -1.734000 1.939000 
1 1 1  -67   11   19 o   7.8250   0.7771   7.4600   1.1370   8.1900   1.0600 -0.7303000 1.554000 
1 1 1  -67   11   20 o   7.7910   0.7535   7.9200   1.0440   7.6620   1.0860 0.2584000 1.507000 
1 1 1  -67   11   21 o   3.3130   1.0620   3.6500   1.5930   2.9770   1.4050 0.6730000 2.124000 
1 1 1  -67   11   22 o   4.0120   1.0220   5.0630   1.5470   2.9610   1.3360 2.102000 2.044000 
1 1 1  -67   11   23 o   2.8750   0.9318   2.4490   1.2100   3.3010   1.4180 -0.8526000 1.864000 
1 1 1  -67   13    1 o   4.4460   1.4900   4.6020   2.1370   4.2890   2.0760 0.3136000 2.980000 
1 1 1  -67   13    2 o   4.0490   1.9980  ?   ?    4.0490   1.9980      ?      ? 
1 1 1  -67   13    3 o   5.2760   1.6650   3.8560   1.8760   6.6960   2.7510 -2.840000 3.330000 
1 1 1  -67   13    4 o   3.7490   1.8330   3.7490   1.8330  ?   ?       ?      ? 
1 1 1  -67   13    5 o   4.0090   1.3790   3.5410   1.7510   4.4780   2.1320 -0.9372000 2.759000 
1 1 1  -67   13    6 o   3.8510   1.3270   3.5110   1.7360   4.1920   2.0090 -0.6809000 2.655000 
1 1 1  -67   13    7 o   5.0650   1.5930   4.0910   1.9390   6.0390   2.5290 -1.948000 3.187000 
1 1 1  -67   13    8 o   5.6270   1.6460   6.1550   2.3730   5.0990   2.2810 1.056000 3.292000 
1 1 1  -67   13    9 o   4.8180   1.5320   4.8470   2.1330   4.7890   2.2000 0.5790000E-01 3.064000 
1 1 1  -67   13   10 o   5.1270   1.5600   4.5090   2.0230   5.7460   2.3740 -1.237000 3.119000 
1 1 1  -67   13   11 o   4.1990   1.3860   3.5180   1.7060   4.8800   2.1840 -1.363000 2.771000 
1 1 1  -67   13   12 o   8.8840   1.5720   10.230   1.9280   7.5360   2.4850 2.695000 3.145000 
1 1 1  -67   13   13 o   4.9230   1.5090   5.2850   2.1810   4.5620   2.0860 0.7228000 3.018000 
1 1 1  -67   13   14 o   4.6330   1.4760   4.3200   1.9700   4.9460   2.1980 -0.6260000 2.952000 
1 1 1  -67   13   15 o   4.4820   1.3270   5.2100   1.9890   3.7540   1.7570 1.456000 2.654000 
1 1 1  -67   13   16 o   5.5280   1.3050   3.4450   1.6280   7.6100   2.0400 -4.165000 2.610000 
1 1 1  -67   13   17 o   2.8230   0.9316   2.7050   1.3470   2.9410   1.2870 -0.2362000 1.863000 
1 1 1  -67   13   18 o   3.0170   0.9239   3.3730   1.4030   2.6620   1.2020 0.7114000 1.848000 
1 1 1  -67   13   19 o   3.6100   1.0030   3.6680   1.4170   3.5520   1.4200 0.1160000 2.006000 
1 1 1  -67   13   20 o   3.8150   1.1060   4.0290   1.5600   3.6010   1.5690 0.4275000 2.213000 
1 1 1  -67   13   21 o   2.2250   0.7901   2.1680   1.0930   2.2830   1.1420 -0.1148000 1.580000 
1 1 1  -67   15    1 o   4.3420   1.3870   4.0750   1.8810   4.6080   2.0410 -0.5333000 2.775000 
1 1 1  -67   15    2 o   6.2990   1.6340   5.0800   2.3140   7.5190   2.3060 -2.439000 3.267000 
1 1 1  -67   15    3 o   4.1470   1.3540   4.1660   1.9120   4.1290   1.9180 0.3672000E-01 2.708000 
1 1 1  -67   15    4 o   4.1930   1.3580   3.6240   1.7400   4.7620   2.0850 -1.138000 2.716000 
1 1 1  -67   15    5 o   3.6700   1.2400   3.1810   1.5710   4.1590   1.9200 -0.9777000 2.481000 
1 1 1  -67   15    6 f   5.4110   1.5270   4.8320   2.0750   5.9900   2.2420 -1.158000 3.054000 
1 1 1  -67   15    7 o   4.9030   1.4480   5.5770   2.1550   4.2280   1.9350 1.348000 2.896000 
1 1 1  -67   15    8 o   3.4050   1.1660   3.6500   1.7280   3.1600   1.5650 0.4896000 2.331000 
1 1 1  -67   15    9 o   6.8770   1.5900   6.8480   2.1870   6.9060   2.3090 -0.5804000E-01 3.180000 
1 1 1  -67   15   10 o   7.4180   1.5610   7.5780   2.1040   7.2570   2.3050 0.3206000 3.121000 
1 1 1  -67   15   11 o   4.0690   1.2900   3.1630   1.5300   4.9750   2.0760 -1.812000 2.580000 
1 1 1  -67   15   12 o   4.0990   1.2970   4.4680   1.9040   3.7290   1.7610 0.7387000 2.593000 
1 1 1  -67   15   13 o   3.9730   1.2710   4.1130   1.8130   3.8340   1.7810 0.2787000 2.541000 
1 1 1  -67   15   14 o   3.2790   1.1100   3.7540   1.7230   2.8050   1.4000 0.9489000 2.220000 
1 1 1  -67   15   15 o   3.7600   1.2220   3.9700   1.7820   3.5500   1.6730 0.4205000 2.444000 
1 1 1  -67   15   16 o   3.2370   1.1030   3.2310   1.5560   3.2430   1.5630 -0.1204000E-01 2.205000 
1 1 1  -67   15   17 o   3.0270   0.9403   3.1010   1.3390   2.9530   1.3200 0.1474000 1.881000 
1 1 1  -67   15   18 o   3.1010   0.9295   2.9630   1.2820   3.2380   1.3460 -0.2742000 1.859000 
1 1 1  -67   15   19 o   2.4760   0.8216   2.7600   1.2480   2.1920   1.0690 0.5681000 1.643000 
1 1 1  -67   17    1 o   2.9930   0.9263   3.6310   1.4590   2.3550   1.1420 1.276000 1.853000 
1 1 1  -67   17    2 o   2.5190   0.8514   2.8270   1.3230   2.2100   1.0720 0.6173000 1.703000 
1 1 1  -67   17    3 o   3.0420   1.0440   3.4330   1.6640   2.6510   1.2610 0.7823000 2.087000 
1 1 1  -67   17    4 o   3.6650   1.7600  ?   ?    3.6650   1.7600      ?      ? 
1 1 1  -67   17    5 o   3.4090   1.1730   3.2890   1.6060   3.5290   1.7090 -0.2395000 2.345000 
1 1 1  -67   17    6 o   6.2050   1.5790   6.5960   2.2410   5.8130   2.2250 0.7830000 3.158000 
1 1 1  -67   17    7 f   6.4620   1.5600   5.4200   2.1340   7.5040   2.2770 -2.085000 3.120000 
1 1 1  -67   17    8 o   4.4200   1.3690   3.4920   1.6730   5.3480   2.1660 -1.856000 2.737000 
1 1 1  -67   17    9 o   2.8710   1.0130   3.0380   1.4970   2.7030   1.3650 0.3342000 2.026000 
1 1 1  -67   17   10 o   3.6140   1.2090   3.9270   1.8070   3.3000   1.6060 0.6276000 2.418000 
1 1 1  -67   17   11 o   2.8830   1.0140   2.4080   1.2230   3.3580   1.6170 -0.9500000 2.027000 
1 1 1  -67   17   12 o   2.9660   1.0360   2.5600   1.2900   3.3730   1.6230 -0.8128000 2.073000 
1 1 1  -67   17   13 o   4.3470   1.3280   4.9200   1.9950   3.7730   1.7530 1.146000 2.656000 
1 1 1  -67   17   14 o   2.3280   0.8376   2.3040   1.1710   2.3530   1.1980 -0.4901000E-01 1.675000 
1 1 1  -67   17   15 o   2.8350   0.9348   2.6290   1.3170   3.0400   1.3270 -0.4110000 1.870000 
1 1 1  -67   17   16 o   2.4720   0.8114   2.2720   1.1050   2.6730   1.1880 -0.4012000 1.623000 
1 1 1  -67   19    1 o   3.2990   0.9874   4.1810   1.5720   2.4170   1.1950 1.763000 1.975000 
1 1 1  -67   19    2 o   3.0960   0.9458   3.5500   1.4290   2.6410   1.2390 0.9085000 1.892000 
1 1 1  -67   19    3 o   4.5550   1.0190   5.2570   1.4100   3.8530   1.4730 1.403000 2.039000 
1 1 1  -67   19    4 o   2.8110   0.8848   2.6260   1.1970   2.9950   1.3040 -0.3688000 1.770000 
1 1 1  -67   19    5 o   3.3920   0.9778   3.1090   1.3940   3.6760   1.3710 -0.5680000 1.956000 
1 1 1  -67   19    6 o   2.4620   0.8764   2.7540   1.3850   2.1710   1.0740 0.5828000 1.753000 
1 1 1  -67   19    7 o   2.0760   0.7503   2.2810   1.1680   1.8720   0.9424 0.4089000 1.501000 
1 1 1  -67   19    8 o   2.3890   0.8658   2.4050   1.2250   2.3730   1.2240 0.3135000E-01 1.732000 
1 1 1  -67   19    9 o   2.4400   0.8781   2.6560   1.3350   2.2240   1.1410 0.4318000 1.756000 
1 1 1  -67   19   10 o   2.7980   0.9897   2.6120   1.3170   2.9840   1.4780 -0.3718000 1.979000 
1 1 1  -67   19   11 o   1.9880   0.7224   2.2590   1.1540   1.7170   0.8698 0.5419000 1.445000 
1 1 1  -67   19   12 o   1.9280   1.0020   1.9280   1.0020  ?   ?       ?      ? 
1 1 1  -66    0    1 o   7.3520   1.9540   7.3520   1.9540   7.3520   1.9540 -0.000000 0.000000 
1 1 1  -66    0    2 o   14.620   0.8628   14.620   0.8628   14.620   0.8628 0.000000 0.000000 
1 1 1  -66    0    3 o   13.180   0.7767   13.180   0.7767   13.180   0.7767 0.000000 0.000000 
1 1 1  -66    0    4 o   11.380   0.6764   11.380   0.6764   11.380   0.6764 0.000000 0.000000 
1 1 1  -66    0    5 o   7.3110   1.0060   7.3110   1.0060   7.3110   1.0060 0.000000 0.000000 
1 1 1  -66    0    6 o   7.0550   0.9866   7.0550   0.9866   7.0550   0.9866 0.000000 0.000000 
1 1 1  -66    0    7 o   10.660   0.6259   10.660   0.6259   10.660   0.6259 -0.000000 0.000000 
1 1 1  -66    0    8 o   1.9440   1.2720   1.9440   1.2720   1.9440   1.2720 -0.000000 0.000000 
1 1 1  -66    0    9 o   7.6040   0.8204   7.6040   0.8204   7.6040   0.8204 0.000000 0.000000 
1 1 1  -66    0   10 f   3.3720   1.5910   3.3720   1.5910   3.3720   1.5910 -0.000000 0.000000 
1 1 1  -66    0   11 o   4.5900   1.5120   4.5900   1.5120   4.5900   1.5120 -0.000000 0.000000 
1 1 1  -66    0   12 o   3.0700   1.6360   3.0700   1.6360   3.0700   1.6360 -0.000000 0.000000 
1 1 1  -66    0   13 o   8.3920   0.7676   8.3920   0.7676   8.3920   0.7676 0.000000 0.000000 
1 1 1  -66    0   14 o   13.020   0.6850   13.020   0.6850   13.020   0.6850 -0.000000 0.000000 
1 1 1  -66    0   15 o   17.870   0.5585   17.870   0.5585   17.870   0.5585 -0.000000 0.000000 
1 1 1  -66    0   16 o   2.6640   1.5680   2.6640   1.5680   2.6640   1.5680 -0.000000 0.000000 
1 1 1  -66    0   17 o   8.0680   0.9885   8.0680   0.9885   8.0680   0.9885 -0.000000 0.000000 
1 1 1  -66    0   18 o   2.5740   1.5850   2.5740   1.5850   2.5740   1.5850 -0.000000 0.000000 
1 1 1  -66    0   19 o   3.5840   1.8390   3.5840   1.8390   3.5840   1.8390 0.000000 0.000000 
1 1 1  -66    0   20 o   9.6460   0.9339   9.6460   0.9339   9.6460   0.9339 0.000000 0.000000 
1 1 1  -66    0   21 o   10.350   0.8977   10.350   0.8977   10.350   0.8977 -0.000000 0.000000 
1 1 1  -66    0   22 o   11.890   0.7993   11.890   0.7993   11.890   0.7993 0.000000 0.000000 
1 1 1  -66    0   23 o   6.8690   1.5190   6.8690   1.5190   6.8690   1.5190 -0.000000 0.000000 
1 1 1  -66    0   24 o   4.4660   2.2460   4.4660   2.2460   4.4660   2.2460 0.000000 0.000000 
1 1 1  -66    0   25 o   8.1280   1.4620   8.1280   1.4620   8.1280   1.4620 -0.000000 0.000000 
1 1 1  -66    0   26 o   1.8170   1.2810   1.8170   1.2810   1.8170   1.2810 -0.000000 0.000000 
1 1 1  -66    0   27 o   1.6770   1.1990   1.6770   1.1990   1.6770   1.1990 -0.000000 0.000000 
1 1 1  -66    2    1 o   4.0120   1.0400   3.4920   1.4890   4.5330   1.4530 -1.040000 2.080000 
1 1 1  -66    2    2 o   8.7550   0.6177   9.1630   0.8704   8.3460   0.8768 0.8168000 1.235000 
1 1 1  -66    2    3 o   8.0320   0.6327   8.0490   0.9439   8.0150   0.8427 0.3414000E-01 1.265000 
1 1 1  -66    2    4 o   9.9070   0.5489   9.4440   0.9178   10.370   0.6023 -0.9273000 1.098000 
1 1 1  -66    2    5 o   15.040   0.4338   15.030   0.6346   15.060   0.5917 -0.3134000E-01 0.8676000 
1 1 1  -66    2    6 o   18.140   0.3102   17.590   0.3786   18.700   0.4916 -1.109000 0.6205000 
1 1 1  -66    2    7 o   16.240   0.5175   16.720   0.8808   15.750   0.5434 0.9667000 1.035000 
1 1 1  -66    2    8 o   11.340   0.6606   10.950   1.2500   11.730   0.4277 -0.7799000 1.321000 
1 1 1  -66    2    9 o   11.770   0.6532   12.680   1.0790   10.870   0.7357 1.813000 1.306000 
1 1 1  -66    2   10 o   3.8990   1.0520   3.6220   1.4830   4.1760   1.4920 -0.5536000 2.104000 
1 1 1  -66    2   11 o   9.1790   0.7038   9.0760   1.0040   9.2830   0.9867 -0.2071000 1.408000 
1 1 1  -66    2   12 o   15.660   0.3501   15.890   0.5646   15.420   0.4141 0.4673000 0.7002000 
1 1 1  -66    2   13 o   11.960   0.4274   11.990   0.6594   11.930   0.5439 0.6257000E-01 0.8548000 
1 1 1  -66    2   14 o   3.6540   0.8645   4.9200   1.3200   2.3870   1.1170 2.533000 1.729000 
1 1 1  -66    2   15 o   13.260   0.3942   12.670   0.5726   13.850   0.5421 -1.180000 0.7885000 
1 1 1  -66    2   16 o   10.540   0.5024   10.730   0.7036   10.360   0.7173 0.3696000 1.005000 
1 1 1  -66    2   17 o   3.3250   1.0020   3.9630   1.5550   2.6870   1.2640 1.277000 2.004000 
1 1 1  -66    2   18 o   5.7130   0.9907   5.5150   1.4290   5.9110   1.3720 -0.3954000 1.981000 
1 1 1  -66    2   19 o   5.9330   0.9741   4.6720   1.5260   7.1930   1.2110 -2.521000 1.948000 
1 1 1  -66    2   20 o   4.0500   1.0630   3.3640   1.4370   4.7360   1.5670 -1.372000 2.126000 
1 1 1  -66    2   21 o   5.0100   1.1210   5.2270   1.5750   4.7930   1.5950 0.4334000 2.242000 
1 1 1  -66    2   22 o   14.300   0.4956   14.740   0.7062   13.860   0.6954 0.8827000 0.9911000 
1 1 1  -66    2   23 o   16.390   0.4955   15.940   0.7327   16.840   0.6673 -0.9059000 0.9911000 
1 1 1  -66    2   24 o   3.4400   1.0450   3.5930   1.5070   3.2870   1.4490 0.3068000 2.090000 
1 1 1  -66    2   25 o   3.5790   1.0730   3.9120   1.5560   3.2460   1.4780 0.6659000 2.146000 
1 1 1  -66    2   26 o   2.2700   0.8002   2.1620   1.0850   2.3780   1.1770 -0.2159000 1.600000 
1 1 1  -66    2   27 o   3.7280   1.1040   3.9210   1.5720   3.5350   1.5500 0.3862000 2.208000 
1 1 1  -66    4    1 o   4.8110   0.9053   3.5720   1.4610   6.0490   1.0690 -2.477000 1.811000 
1 1 1  -66    4    2 o   5.6700   0.8786   6.6850   1.1340   4.6550   1.3420 2.030000 1.757000 
1 1 1  -66    4    3 o   9.1770   1.2340   10.480   1.3390   7.8780   2.0730 2.597000 2.468000 
1 1 1  -66    4    4 o   5.4160   1.3600   6.2480   1.8980   4.5830   1.9470 1.665000 2.719000 
1 1 1  -66    4    5 o   9.1120   1.1290   7.4810   1.7290   10.740   1.4500 -3.262000 2.257000 
1 1 1  -66    4    6 o   4.8070   1.3540   4.6450   1.8320   4.9690   1.9940 -0.3238000 2.708000 
1 1 1  -66    4    7 o   4.2530   1.2600   3.5290   1.5950   4.9770   1.9500 -1.448000 2.519000 
1 1 1  -66    4    8 o   6.2370   1.3230   6.5050   1.7470   5.9690   1.9880 0.5358000 2.646000 
1 1 1  -66    4    9 o   7.8700   1.1880   7.0970   1.6740   8.6430   1.6870 -1.546000 2.376000 
1 1 1  -66    4   10 o   3.9720   1.2090   4.0440   1.6940   3.9000   1.7260 0.1439000 2.418000 
1 1 1  -66    4   11 f   7.1070   1.3370   6.8240   1.7010   7.3900   2.0640 -0.5654000 2.675000 
1 1 1  -66    4   12 o   7.6970   1.0920   7.2150   1.6060   8.1790   1.4790 -0.9640000 2.183000 
1 1 1  -66    4   13 o   9.8470   0.8646   10.490   1.1030   9.2030   1.3320 1.289000 1.729000 
1 1 1  -66    4   14 o   10.030   0.7198   9.8110   1.2010   10.240   0.7943 -0.4281000 1.440000 
1 1 1  -66    4   15 o   14.000   0.4067   14.750   0.5963   13.250   0.5533 1.504000 0.8134000 
1 1 1  -66    4   16 o   10.010   0.5468   10.660   0.7092   9.3580   0.8325 1.304000 1.094000 
1 1 1  -66    4   17 o   13.270   0.4292   12.780   0.6085   13.770   0.6054 -0.9830000 0.8583000 
1 1 1  -66    4   18 o   5.8040   0.9664   7.3270   1.0680   4.2800   1.6110 3.047000 1.933000 
1 1 1  -66    4   19 o   4.7980   1.1370   3.8770   1.5820   5.7180   1.6330 -1.841000 2.274000 
1 1 1  -66    4   20 o   3.2660   1.0210   3.2050   1.4580   3.3270   1.4290 -0.1214000 2.041000 
1 1 1  -66    4   21 o   4.5770   1.2000   4.1750   1.6910   4.9790   1.7020 -0.8039000 2.399000 
1 1 1  -66    4   22 o   24.800   0.3503   25.050   0.4592   24.540   0.5290 0.5111000 0.7005000 
1 1 1  -66    4   23 o   14.410   0.4881   14.850   0.6549   13.980   0.7239 0.8712000 0.9762000 
1 1 1  -66    4   24 f   6.5280   1.0180   7.8160   1.2200   5.2400   1.6300 2.577000 2.036000 
1 1 1  -66    4   25 o   3.1760   0.9908   3.7060   1.5290   2.6450   1.2600 1.061000 1.982000 
1 1 1  -66    4   26 o   2.8530   0.9516   3.1890   1.4530   2.5170   1.2290 0.6719000 1.903000 
1 1 1  -66    6    1 f   10.110   0.8359   10.120   1.5190   10.100   0.6980 0.2392000E-01 1.672000 
1 1 1  -66    6    2 f   4.9760   1.4390   4.4230   1.8780   5.5280   2.1810 -1.105000 2.878000 
1 1 1  -66    6    3 o   5.6580   1.4910   5.6870   2.0330   5.6290   2.1830 0.5866000E-01 2.983000 
1 1 1  -66    6    4 o   6.9200   1.4510   7.6370   1.9100   6.2040   2.1850 1.432000 2.902000 
1 1 1  -66    6    5 o   6.8590   1.3630   8.5460   1.7360   5.1720   2.1030 3.374000 2.727000 
1 1 1  -66    6    6 o   9.3860   1.1950   9.9140   1.4470   8.8580   1.9020 1.056000 2.390000 
1 1 1  -66    6    7 o   6.7190   1.4000   7.5560   1.8270   5.8830   2.1210 1.673000 2.800000 
1 1 1  -66    6    8 o   5.3770   1.3780   5.9640   1.9150   4.7910   1.9810 1.173000 2.755000 
1 1 1  -66    6    9 o   6.4140   1.3340   7.6310   1.7180   5.1970   2.0420 2.433000 2.668000 
1 1 1  -66    6   10 o   3.8940   1.2740   3.4620   1.6010   4.3260   1.9820 -0.8645000 2.547000 
1 1 1  -66    6   11 o   6.1500   1.3730   6.2770   1.9090   6.0230   1.9750 0.2541000 2.747000 
1 1 1  -66    6   12 o   3.9290   1.2180   4.2130   1.7810   3.6450   1.6610 0.5677000 2.435000 
1 1 1  -66    6   13 o   7.3390   1.2640   7.2150   1.7450   7.4620   1.8300 -0.2476000 2.528000 
1 1 1  -66    6   14 o   4.6020   1.2680   5.4400   1.8880   3.7650   1.6930 1.675000 2.536000 
1 1 1  -66    6   15 o   6.4360   1.3320   6.5210   1.8400   6.3520   1.9260 0.1691000 2.663000 
1 1 1  -66    6   16 o   4.0860   0.9327   2.4360   1.1520   5.7370   1.4670 -3.301000 1.865000 
1 1 1  -66    6   17 o   6.4050   0.8581   6.7100   1.1370   6.1010   1.2860 0.6091000 1.716000 
1 1 1  -66    6   18 o   16.560   0.4298   16.580   0.6081   16.540   0.6076 0.3917000E-01 0.8596000 
1 1 1  -66    6   19 f   7.4250   1.0790   6.6900   1.4390   8.1610   1.6100 -1.471000 2.159000 
1 1 1  -66    6   20 o   5.4500   1.2090   5.0420   1.7190   5.8580   1.7000 -0.8159000 2.417000 
1 1 1  -66    6   21 o   9.8290   0.6514   9.4600   0.9327   10.200   0.9095 -0.7387000 1.303000 
1 1 1  -66    6   22 o   6.8840   0.9824   7.1840   1.3050   6.5830   1.4680 0.6003000 1.965000 
1 1 1  -66    6   23 o   16.450   0.4269   16.520   0.6001   16.380   0.6073 0.1423000 0.8538000 
1 1 1  -66    6   24 o   3.0710   0.9712   3.3420   1.4400   2.8000   1.3040 0.5425000 1.942000 
1 1 1  -66    6   25 f   2.5630   0.8798   2.6770   1.2860   2.4480   1.2010 0.2287000 1.760000 
1 1 1  -66    6   26 o   2.9700   0.9560   2.7120   1.2770   3.2270   1.4230 -0.5151000 1.912000 
1 1 1  -66    8    1 o   9.6240   1.7140   11.980   2.1880   7.2640   2.6390 4.719000 3.428000 
1 1 1  -66    8    2 o   5.2090   1.6280   4.8960   2.2160   5.5220   2.3840 -0.6260000 3.255000 
1 1 1  -66    8    3 o   8.9630   1.6110   9.3490   2.4410   8.5770   2.1020 0.7721000 3.221000 
1 1 1  -66    8    4 o   6.1970   1.5010   6.8500   2.0580   5.5430   2.1850 1.307000 3.002000 
1 1 1  -66    8    5 o   5.4690   1.4800   5.4930   2.0280   5.4450   2.1570 0.4847000E-01 2.961000 
1 1 1  -66    8    6 o   12.590   0.9482   13.820   1.0820   11.350   1.5580 2.464000 1.896000 
1 1 1  -66    8    7 o   15.010   0.7725   15.380   0.9751   14.650   1.1990 0.7343000 1.545000 
1 1 1  -66    8    8 o   4.0650   1.2890   3.7070   1.6950   4.4230   1.9420 -0.7163000 2.578000 
1 1 1  -66    8    9 o   14.030   0.7945   14.850   0.9486   13.200   1.2750 1.655000 1.589000 
1 1 1  -66    8   10 o   8.9790   1.1840   7.3470   1.8500   10.610   1.4780 -3.262000 2.368000 
1 1 1  -66    8   11 o   4.4700   1.3200   4.7430   1.8960   4.1980   1.8380 0.5449000 2.640000 
1 1 1  -66    8   12 o   4.8180   1.2880   3.1620   1.5870   6.4740   2.0290 -3.312000 2.576000 
1 1 1  -66    8   13 o   13.460   1.2950   11.270   2.1420   15.640   1.4570 -4.371000 2.591000 
1 1 1  -66    8   14 o   5.5700   1.6530   6.0410   2.4380   5.0990   2.2330 0.9412000 3.306000 
1 1 1  -66    8   15 o   9.9140   1.6380   9.2940   2.4170   10.540   2.2120 -1.242000 3.276000 
1 1 1  -66    8   16 o   3.9430   1.2900   3.8150   1.7050   4.0720   1.9370 -0.2569000 2.581000 
1 1 1  -66    8   17 o   15.930   0.4062   16.040   0.5482   15.810   0.5997 0.2316000 0.8125000 
1 1 1  -66    8   18 o   18.910   0.3612   19.480   0.5305   18.340   0.4903 1.138000 0.7224000 
1 1 1  -66    8   19 o   6.6330   0.9100   6.0060   1.3640   7.2600   1.2040 -1.253000 1.820000 
1 1 1  -66    8   20 o   4.7690   1.2170   5.4540   1.7790   4.0840   1.6600 1.370000 2.433000 
1 1 1  -66    8   21 o   15.340   0.4250   14.690   0.6107   16.000   0.5912 -1.315000 0.8500000 
1 1 1  -66    8   22 o   7.8870   0.8740   7.9570   1.2740   7.8160   1.1960 0.1406000 1.748000 
1 1 1  -66    8   23 o   6.6600   1.0900   7.3840   1.4250   5.9350   1.6500 1.449000 2.180000 
1 1 1  -66    8   24 f   3.3340   1.0040   3.9580   1.5480   2.7100   1.2810 1.248000 2.009000 
1 1 1  -66    8   25 o   8.1620   0.8657   8.9560   1.1600   7.3670   1.2850 1.589000 1.731000 
1 1 1  -66   10    1 o   4.5600   1.4110   3.9660   1.8290   5.1540   2.1480 -1.188000 2.821000 
1 1 1  -66   10    2 o   4.2220   1.3420   4.5330   1.9600   3.9100   1.8350 0.6231000 2.685000 
1 1 1  -66   10    3 f   5.3040   1.4180   6.6140   2.1470   3.9930   1.8530 2.620000 2.836000 
1 1 1  -66   10    4 o   5.7570   1.4620   7.1820   2.1510   4.3330   1.9800 2.849000 2.924000 
1 1 1  -66   10    5 o   5.0600   2.1350  ?   ?    5.0600   2.1350      ?      ? 
1 1 1  -66   10    6 o   4.4520   1.3840   3.8420   1.7730   5.0620   2.1260 -1.221000 2.769000 
1 1 1  -66   10    7 o   5.9290   1.5410   5.9920   2.1180   5.8650   2.2400 0.1271000 3.083000 
1 1 1  -66   10    8 o   7.9160   1.4570   8.6490   1.8590   7.1820   2.2450 1.467000 2.914000 
1 1 1  -66   10    9 o   4.9770   1.4780   5.1380   2.0270   4.8160   2.1530 0.3214000 2.957000 
1 1 1  -66   10   10 o   4.3510   1.2810   3.1170   1.5100   5.5850   2.0700 -2.468000 2.562000 
1 1 1  -66   10   11 o   8.6890   1.2360   10.980   1.3590   6.3960   2.0650 4.586000 2.472000 
1 1 1  -66   10   12 o   4.8550   1.3850   5.0880   1.9860   4.6210   1.9320 0.4677000 2.771000 
1 1 1  -66   10   13 o   6.4740   1.3900   7.5190   1.9200   5.4280   2.0100 2.092000 2.780000 
1 1 1  -66   10   14 o   9.8280   1.1090   9.9980   1.4780   9.6590   1.6550 0.3390000 2.219000 
1 1 1  -66   10   15 o   15.930   0.7007   16.410   0.9317   15.450   1.0470 0.9533000 1.401000 
1 1 1  -66   10   16 o   12.560   0.8879   13.370   1.1360   11.760   1.3650 1.615000 1.776000 
1 1 1  -66   10   17 o   7.7000   1.0990   6.1100   2.0120   9.2900   0.8828 -3.181000 2.197000 
1 1 1  -66   10   18 o   10.730   0.5534   10.720   0.8141   10.740   0.7499 -0.1515000E-01 1.107000 
1 1 1  -66   10   19 o   4.8380   1.0590   5.7920   1.4850   3.8840   1.5100 1.907000 2.118000 
1 1 1  -66   10   20 o   13.210   0.6363   13.920   0.6849   12.500   1.0730 1.426000 1.273000 
1 1 1  -66   10   21 o   4.7970   1.3240   5.0760   1.8980   4.5190   1.8460 0.5567000 2.648000 
1 1 1  -66   10   22 f   2.6740   0.8919   2.6020   1.2350   2.7450   1.2870 -0.1431000 1.784000 
1 1 1  -66   10   23 o   3.4240   1.0310   3.5410   1.4810   3.3070   1.4360 0.2339000 2.063000 
1 1 1  -66   10   24 o   2.1670   0.7613   2.2050   1.0930   2.1280   1.0590 0.7687000E-01 1.523000 
1 1 1  -66   12    1 o   6.1090   1.5320   7.2280   2.2180   4.9900   2.1140 2.238000 3.064000 
1 1 1  -66   12    2 o   4.3850   1.3830   3.8170   1.7860   4.9520   2.1130 -1.135000 2.766000 
1 1 1  -66   12    3 o   4.5240   1.3900   3.5360   1.6890   5.5130   2.2080 -1.978000 2.780000 
1 1 1  -66   12    4 o   3.7110   1.2640   3.7890   1.7750   3.6340   1.7990 0.1544000 2.527000 
1 1 1  -66   12    5 o   4.6640   1.3970   5.6040   2.1610   3.7240   1.7710 1.880000 2.794000 
1 1 1  -66   12    6 o   4.2870   1.3570   4.1110   1.8640   4.4630   1.9720 -0.3517000 2.714000 
1 1 1  -66   12    7 o   4.1820   1.3260   3.4810   1.6590   4.8830   2.0690 -1.402000 2.652000 
1 1 1  -66   12    8 o   4.5550   1.3780   4.9680   2.0160   4.1420   1.8800 0.8260000 2.756000 
1 1 1  -66   12    9 o   5.8120   1.5460   3.7610   1.7500   7.8640   2.5500 -4.103000 3.092000 
1 1 1  -66   12   10 o   3.6860   1.2170   3.3320   1.5960   4.0410   1.8370 -0.7092000 2.434000 
1 1 1  -66   12   11 o   3.7860   1.2320   3.8490   1.7490   3.7220   1.7360 0.1274000 2.464000 
1 1 1  -66   12   12 o   3.7640   1.2300   3.5930   1.6770   3.9350   1.8010 -0.3418000 2.461000 
1 1 1  -66   12   13 o   14.260   0.8294   15.970   0.9919   12.560   1.3300 3.408000 1.659000 
1 1 1  -66   12   14 o   5.1660   1.4360   5.0080   1.9840   5.3230   2.0760 -0.3155000 2.872000 
1 1 1  -66   12   15 o   5.1300   1.5610   4.7620   2.0960   5.4970   2.3130 -0.7350000 3.121000 
1 1 1  -66   12   16 o   3.8540   1.3040   3.7130   1.7800   3.9950   1.9060 -0.2820000 2.608000 
1 1 1  -66   12   17 o   6.5320   1.2470   5.3480   2.2230   7.7170   1.1320 -2.369000 2.495000 
1 1 1  -66   12   18 o   10.750   0.5468   11.350   0.7787   10.150   0.7678 1.205000 1.094000 
1 1 1  -66   12   19 o   4.3130   1.0570   4.4490   1.4880   4.1770   1.5020 0.2720000 2.114000 
1 1 1  -66   12   20 o   2.6560   0.9037   2.1960   1.0760   3.1150   1.4520 -0.9196000 1.807000 
1 1 1  -66   12   21 o   2.9130   0.9625   3.4010   1.5280   2.4250   1.1710 0.9751000 1.925000 
1 1 1  -66   12   22 o   2.1440   0.7514   1.7300   0.8823   2.5570   1.2160 -0.8269000 1.503000 
1 1 1  -66   12   23 o   4.7760   1.1010   5.4930   1.5700   4.0600   1.5430 1.433000 2.201000 
1 1 1  -66   14    1 f   2.9000   1.0280   2.7250   1.3740   3.0750   1.5290 -0.3505000 2.055000 
1 1 1  -66   14    2 o   3.6670   1.2690   3.7410   1.8540   3.5930   1.7340 0.1480000 2.538000 
1 1 1  -66   14    3 o   6.2710   1.5440   7.4950   2.2030   5.0470   2.1640 2.448000 3.088000 
1 1 1  -66   14    4 o   4.2020   1.4110   4.0240   1.8670   4.3790   2.1150 -0.3542000 2.822000 
1 1 1  -66   14    5 o   5.1890   1.5590   6.6810   2.5220   3.6970   1.8350 2.984000 3.119000 
1 1 1  -66   14    6 o   4.3890   1.4600   4.4920   2.0830   4.2860   2.0470 0.2064000 2.920000 
1 1 1  -66   14    7 o   4.1240   1.4020   3.2790   1.6320   4.9700   2.2790 -1.690000 2.803000 
1 1 1  -66   14    8 o   4.1660   1.4080   3.8380   1.8500   4.4940   2.1230 -0.6555000 2.816000 
1 1 1  -66   14    9 o   3.4940   1.2190   3.5600   1.7360   3.4280   1.7130 0.1322000 2.439000 
1 1 1  -66   14   10 o   7.0770   1.7470   7.3180   2.3670   6.8360   2.5700 0.4824000 3.493000 
1 1 1  -66   14   11 o   4.1860   1.2950   4.9930   2.0080   3.3790   1.6370 1.613000 2.591000 
1 1 1  -66   14   12 o   4.4280   1.3200   5.3790   2.0420   3.4760   1.6730 1.903000 2.639000 
1 1 1  -66   14   13 o   6.5100   1.4890   6.0290   2.0470   6.9910   2.1620 -0.9622000 2.977000 
1 1 1  -66   14   14 o   8.3550   1.3770   8.7530   1.7800   7.9580   2.1030 0.7944000 2.755000 
1 1 1  -66   14   15 o   7.4000   1.4530   7.0350   1.9920   7.7640   2.1150 -0.7291000 2.906000 
1 1 1  -66   14   16 o   2.4390   0.8750   2.3230   1.1800   2.5540   1.2920 -0.2316000 1.750000 
1 1 1  -66   14   17 o   3.6560   1.0280   3.4810   1.4120   3.8300   1.4950 -0.3486000 2.057000 
1 1 1  -66   14   18 o   3.6090   0.9531   2.7810   1.2410   4.4360   1.4470 -1.655000 1.906000 
1 1 1  -66   14   19 o   4.4490   1.0400   5.0710   1.4660   3.8270   1.4760 1.244000 2.080000 
1 1 1  -66   14   20 o   2.4560   0.8695   2.5990   1.3010   2.3130   1.1550 0.2853000 1.739000 
1 1 1  -66   14   21 o   3.7130   1.0410   4.1080   1.5150   3.3180   1.4290 0.7904000 2.083000 
1 1 1  -66   16    1 o   4.6290   1.0200   5.3700   1.4010   3.8870   1.4830 1.483000 2.040000 
1 1 1  -66   16    2 o   3.6420   1.2060   4.6740   2.0580   2.6090   1.2580 2.065000 2.413000 
1 1 1  -66   16    3 o   3.8170   1.2810   3.7490   1.7840   3.8840   1.8380 -0.1354000 2.562000 
1 1 1  -66   16    4 o   5.4060   1.5220   6.3820   2.2860   4.4310   2.0110 1.951000 3.045000 
1 1 1  -66   16    5 o   4.4440   1.4100   4.3870   1.9650   4.5000   2.0210 -0.1123000 2.819000 
1 1 1  -66   16    6 o   5.0860   1.4900   5.5330   2.1740   4.6390   2.0380 0.8943000 2.980000 
1 1 1  -66   16    7 o   4.7520   1.4510   4.6490   1.9990   4.8550   2.1040 -0.2058000 2.902000 
1 1 1  -66   16    8 o   3.2640   1.1480   3.2230   1.5750   3.3050   1.6700 -0.8196000E-01 2.296000 
1 1 1  -66   16    9 o   3.6860   1.2300   4.0720   1.8500   3.3010   1.6210 0.7709000 2.460000 
1 1 1  -66   16   10 o   3.5840   1.2120   3.4420   1.6500   3.7270   1.7750 -0.2853000 2.423000 
1 1 1  -66   16   11 o   4.8490   1.4200   5.0960   2.0150   4.6030   2.0020 0.4934000 2.840000 
1 1 1  -66   16   12 o   3.8270   1.2310   4.4680   1.9030   3.1870   1.5630 1.282000 2.462000 
1 1 1  -66   16   13 o   8.6290   1.3330   9.9280   1.5860   7.3310   2.1420 2.598000 2.666000 
1 1 1  -66   16   14 o   4.1830   1.3100   4.5940   1.9410   3.7730   1.7590 0.8204000 2.620000 
1 1 1  -66   16   15 o   5.0640   0.9405   3.0290   1.4830   7.0990   1.1570 -4.070000 1.881000 
1 1 1  -66   16   16 o   4.1220   0.9873   4.9510   1.4710   3.2940   1.3170 1.657000 1.975000 
1 1 1  -66   16   17 o   3.1590   0.9235   3.6190   1.3790   2.6990   1.2290 0.9202000 1.847000 
1 1 1  -66   16   18 o   2.3600   0.7953   2.7170   1.2410   2.0030   0.9948 0.7136000 1.591000 
1 1 1  -66   16   19 o   2.6180   0.9348   2.4920   1.2820   2.7450   1.3610 -0.2525000 1.870000 
1 1 1  -66   18    1 o   2.7760   0.9151   3.0030   1.3600   2.5490   1.2250 0.4539000 1.830000 
1 1 1  -66   18    2 o   4.9050   1.0780   5.6500   1.3870   4.1600   1.6510 1.490000 2.156000 
1 1 1  -66   18    3 o   3.8600   1.0180   3.6120   1.3950   4.1080   1.4820 -0.4963000 2.035000 
1 1 1  -66   18    4 o   6.7030   0.9223   5.3240   1.6170   8.0820   0.8867 -2.757000 1.845000 
1 1 1  -66   18    5 o   4.0130   1.1640   3.4510   1.6700   4.5750   1.6220 -1.124000 2.328000 
1 1 1  -66   18    6 o   3.0330   1.0670   3.0190   1.5010   3.0480   1.5170 -0.2927000E-01 2.134000 
1 1 1  -66   18    7 o   2.7920   0.9927   2.9350   1.4630   2.6490   1.3430 0.2866000 1.985000 
1 1 1  -66   18    8 o   3.5100   1.2280   2.9780   1.4810   4.0430   1.9580 -1.065000 2.455000 
1 1 1  -66   18    9 o   3.1220   1.0880   2.6740   1.3460   3.5700   1.7090 -0.8954000 2.176000 
1 1 1  -66   18   10 o   2.9900   1.0480   2.8350   1.4130   3.1440   1.5480 -0.3093000 2.096000 
1 1 1  -66   18   11 o   3.9470   1.2730   3.6600   1.7080   4.2350   1.8880 -0.5749000 2.546000 
1 1 1  -66   18   12 f   3.5590   1.1760   4.2620   1.8750   2.8550   1.4210 1.408000 2.352000 
1 1 1  -66   18   13 o   4.4360   1.2110   4.2980   1.8800   4.5730   1.5270 -0.2753000 2.423000 
1 1 1  -66   18   14 o   2.6550   0.8598   2.6150   1.2320   2.6950   1.2000 -0.8001000E-01 1.720000 
1 1 1  -66   18   15 o   7.2200   0.7621   9.0860   0.7771   5.3540   1.3110 3.733000 1.524000 
1 1 1  -66   18   16 o   2.4520   1.2210   2.4520   1.2210  ?   ?       ?      ? 
1 1 1  -66   20    1 o   2.5750   0.9001   2.8040   1.3640   2.3450   1.1740 0.4588000 1.800000 
1 1 1  -66   20    2 o   3.2350   1.0500   3.8520   1.6630   2.6180   1.2840 1.233000 2.101000 
1 1 1  -66   20    3 o   2.5570   0.8841   2.1190   1.0530   2.9950   1.4210 -0.8763000 1.768000 
1 1 1  -66   20    4 o   2.6750   0.8744   2.3910   1.1450   2.9590   1.3210 -0.5684000 1.749000 
1 1 1  -66   20    5 o   2.9990   0.9244   2.4860   1.1740   3.5130   1.4280 -1.027000 1.849000 
1 1 1  -66   20    6 o   3.9500   0.9595   2.8840   1.2790   5.0160   1.4300 -2.132000 1.919000 
1 1 1  -66   20    7 o   2.4430   0.8070   2.1220   1.0320   2.7640   1.2410 -0.6417000 1.614000 
1 1 1  -66   20    8 o   2.6980   0.8565   2.7740   1.2180   2.6220   1.2040 0.1524000 1.713000 
1 1 1  -66   20    9 o   2.3520   0.7770   1.9680   0.9630   2.7370   1.2200 -0.7686000 1.554000 
1 1 1  -66   20   10 o   2.4670   0.8889   2.7770   1.3900   2.1570   1.1090 0.6199000 1.778000 
1 1 1  -66   20   11 o   2.1260   1.1020   2.1260   1.1020  ?   ?       ?      ? 
1 1 1  -65    1    1 o   7.9450   0.7638   8.2170   1.0700   7.6720   1.0900 0.5456000 1.528000 
1 1 1  -65    1    2 o   16.550   0.4638   16.030   0.6494   17.060   0.6624 -1.030000 0.9276000 
1 1 1  -65    1    3 o   9.1270   0.6917   9.9860   0.9519   8.2680   1.0040 1.718000 1.383000 
1 1 1  -65    1    4 o   9.3610   0.6385   8.3580   1.0450   10.360   0.7334 -2.005000 1.277000 
1 1 1  -65    1    5 o   4.3810   1.0050   4.7800   1.4800   3.9820   1.3620 0.7978000 2.011000 
1 1 1  -65    1    6 o   8.0740   0.5763   7.3040   0.9071   8.8450   0.7112 -1.540000 1.153000 
1 1 1  -65    1    7 f   15.470   0.3514   15.960   0.5507   14.970   0.4365 0.9946000 0.7028000 
1 1 1  -65    1    8 o   12.340   0.4299   11.580   0.7169   13.090   0.4748 -1.509000 0.8599000 
1 1 1  -65    1    9 o   3.8980   0.9828   4.4090   1.5070   3.3860   1.2620 1.023000 1.966000 
1 1 1  -65    1   10 o   3.2550   0.8747   3.8990   1.3210   2.6100   1.1470 1.289000 1.749000 
1 1 1  -65    1   11 o   7.2280   0.6646   8.0950   0.8597   6.3620   1.0140 1.733000 1.329000 
1 1 1  -65    1   12 o   15.600   0.3406   15.410   0.5009   15.790   0.4617 -0.3750000 0.6812000 
1 1 1  -65    1   13 o   13.560   0.3737   13.430   0.5360   13.680   0.5209 -0.2448000 0.7474000 
1 1 1  -65    1   14 o   8.9870   0.5560   8.9610   0.7567   9.0120   0.8148 -0.5106000E-01 1.112000 
1 1 1  -65    1   15 o   16.800   0.3628   16.480   0.5319   17.110   0.4936 -0.6310000 0.7257000 
1 1 1  -65    1   16 o   11.280   0.5235   11.140   0.7644   11.420   0.7154 -0.2770000 1.047000 
1 1 1  -65    1   17 o   4.0320   1.0160   3.5880   1.4120   4.4760   1.4620 -0.8880000 2.032000 
1 1 1  -65    1   18 o   3.9020   1.0420   3.5790   1.4380   4.2250   1.5080 -0.6463000 2.084000 
1 1 1  -65    1   19 o   7.1980   0.8422   7.5500   1.1220   6.8460   1.2570 0.7042000 1.684000 
1 1 1  -65    1   20 o   3.0160   0.9558   2.7690   1.2860   3.2620   1.4150 -0.4927000 1.912000 
1 1 1  -65    1   21 o   9.7780   0.6667   9.7270   0.9441   9.8290   0.9414 -0.1018000 1.333000 
1 1 1  -65    1   22 o   13.570   0.4922   13.050   0.7254   14.090   0.6655 -1.043000 0.9844000 
1 1 1  -65    1   23 f   4.8810   1.1890   4.6690   1.7490   5.0940   1.6110 -0.4248000 2.378000 
1 1 1  -65    1   24 o   6.5490   1.1330   5.5320   1.7760   7.5670   1.4060 -2.035000 2.266000 
1 1 1  -65    1   25 o   3.1910   1.0350   3.0700   1.4200   3.3120   1.5070 -0.2425000 2.071000 
1 1 1  -65    1   26 o   8.4280   0.8649   9.6900   1.0100   7.1650   1.4040 2.525000 1.730000 
1 1 1  -65    1   27 o   2.0040   0.7146   1.9260   0.9758   2.0810   1.0440 -0.1541000 1.429000 
1 1 1  -65    3    1 o   4.3450   0.8807   6.0520   1.2970   2.6380   1.1920 3.413000 1.761000 
1 1 1  -65    3    2 o   8.1380   0.7004   9.2000   0.8985   7.0760   1.0750 2.124000 1.401000 
1 1 1  -65    3    3 o   11.070   0.4709   10.910   0.6989   11.240   0.6313 -0.3367000 0.9418000 
1 1 1  -65    3    4 o   5.7730   1.0440   5.2210   1.8490   6.3250   0.9720 -1.104000 2.089000 
1 1 1  -65    3    5 o   7.3210   1.2640   8.4780   1.5010   6.1640   2.0350 2.314000 2.528000 
1 1 1  -65    3    6 o   9.9800   0.9591   10.320   1.1450   9.6380   1.5390 0.6834000 1.918000 
1 1 1  -65    3    7 o   3.3720   1.1010   3.3620   1.5300   3.3820   1.5830 -0.1987000E-01 2.201000 
1 1 1  -65    3    8 o   11.640   0.7823   11.890   0.9871   11.380   1.2140 0.5159000 1.565000 
1 1 1  -65    3    9 o   11.060   0.7871   10.460   1.1000   11.670   1.1260 -1.211000 1.574000 
1 1 1  -65    3   10 o   5.0170   1.2340   5.9540   1.7490   4.0790   1.7420 1.875000 2.469000 
1 1 1  -65    3   11 o   5.7750   1.3320   5.7550   1.7370   5.7940   2.0210 -0.3848000E-01 2.664000 
1 1 1  -65    3   12 o   9.9130   0.6579   10.170   1.0580   9.6510   0.7826 0.5228000 1.316000 
1 1 1  -65    3   13 o   14.750   0.4809   14.350   0.7732   15.150   0.5719 -0.8014000 0.9617000 
1 1 1  -65    3   14 o   13.730   0.3531   13.830   0.5018   13.640   0.4971 0.1904000 0.7063000 
1 1 1  -65    3   15 o   10.050   0.4972   10.270   0.6925   9.8340   0.7137 0.4374000 0.9944000 
1 1 1  -65    3   16 o   4.9870   0.9778   5.4880   1.3200   4.4860   1.4430 1.002000 1.956000 
1 1 1  -65    3   17 o   13.060   0.4563   12.970   0.6001   13.150   0.6876 -0.1778000 0.9127000 
1 1 1  -65    3   18 o   10.540   0.6384   11.000   0.8985   10.080   0.9072 0.9280000 1.277000 
1 1 1  -65    3   19 o   12.530   0.4892   13.090   0.6586   11.970   0.7235 1.123000 0.9783000 
1 1 1  -65    3   20 o   5.3790   1.0530   6.3440   1.4090   4.4140   1.5660 1.930000 2.107000 
1 1 1  -65    3   21 o   14.650   0.4567   13.750   0.6689   15.550   0.6219 -1.800000 0.9134000 
1 1 1  -65    3   22 o   4.3100   1.1500   5.4170   1.7710   3.2040   1.4660 2.214000 2.299000 
1 1 1  -65    3   23 o   7.3300   0.9535   7.0740   1.3880   7.5870   1.3080 -0.5125000 1.907000 
1 1 1  -65    3   24 o   2.8080   0.9317   2.7680   1.3020   2.8490   1.3330 -0.8102000E-01 1.863000 
1 1 1  -65    3   25 o   7.4940   0.9275   8.0500   1.1920   6.9370   1.4210 1.113000 1.855000 
1 1 1  -65    3   26 o   9.5730   0.8208   10.120   1.0930   9.0250   1.2250 1.097000 1.642000 
1 1 1  -65    3   27 o   2.3760   0.8350   2.1920   1.1030   2.5600   1.2540 -0.3681000 1.670000 
1 1 1  -65    5    1 o   9.9750   0.5548   9.5090   0.8552   10.440   0.7070 -0.9327000 1.110000 
1 1 1  -65    5    2 o   7.3660   1.3200   9.2850   1.5510   5.4470   2.1350 3.838000 2.639000 
1 1 1  -65    5    3 o   5.4680   1.4600   4.8710   1.9350   6.0650   2.1870 -1.194000 2.920000 
1 1 1  -65    5    4 o   6.0550   1.4340   6.5980   1.9420   5.5130   2.1100 1.085000 2.867000 
1 1 1  -65    5    5 o   12.110   0.8817   11.650   1.2080   12.560   1.2840 -0.9127000 1.763000 
1 1 1  -65    5    6 f   18.860   0.5996   19.300   0.7664   18.420   0.9224 0.8834000 1.199000 
1 1 1  -65    5    7 o   10.230   1.0280   11.070   1.1900   9.3790   1.6780 1.692000 2.057000 
1 1 1  -65    5    8 o   14.660   0.6871   14.880   0.8667   14.450   1.0660 0.4282000 1.374000 
1 1 1  -65    5    9 o   12.400   0.8079   13.180   0.9716   11.610   1.2910 1.568000 1.616000 
1 1 1  -65    5   10 o   5.5550   1.4300   5.2410   1.8690   5.8700   2.1640 -0.6286000 2.860000 
1 1 1  -65    5   11 o   3.5400   1.1360   3.2640   1.5230   3.8170   1.6850 -0.5530000 2.271000 
1 1 1  -65    5   12 o   3.4490   1.1120   3.2590   1.5150   3.6380   1.6290 -0.3784000 2.224000 
1 1 1  -65    5   13 o   4.0840   1.2100   3.6890   1.6260   4.4780   1.7930 -0.7891000 2.421000 
1 1 1  -65    5   14 f   10.990   0.8261   9.6460   1.2730   12.340   1.0530 -2.692000 1.652000 
1 1 1  -65    5   15 o   10.510   0.5419   9.9100   0.7768   11.100   0.7556 -1.194000 1.084000 
1 1 1  -65    5   16 o   10.150   0.5232   9.4130   0.7707   10.890   0.7079 -1.476000 1.046000 
1 1 1  -65    5   17 o   7.2600   0.7981   6.6170   1.1910   7.9030   1.0630 -1.285000 1.596000 
1 1 1  -65    5   18 o   10.530   0.5584   9.9140   0.8189   11.160   0.7593 -1.242000 1.117000 
1 1 1  -65    5   19 o   6.6910   1.1850   5.3520   1.9830   8.0290   1.2990 -2.677000 2.370000 
1 1 1  -65    5   20 o   7.3900   1.0010   7.7970   1.3550   6.9830   1.4750 0.8137000 2.003000 
1 1 1  -65    5   21 o   7.7750   0.8476   7.2440   1.2480   8.3060   1.1470 -1.062000 1.695000 
1 1 1  -65    5   22 o   6.5470   1.0060   5.1200   1.5980   7.9740   1.2240 -2.854000 2.013000 
1 1 1  -65    5   23 o   13.590   0.5057   13.500   0.6946   13.690   0.7352 -0.1870000 1.011000 
1 1 1  -65    5   24 o   6.0070   1.0410   4.6970   1.6060   7.3160   1.3270 -2.619000 2.083000 
1 1 1  -65    5   25 o   2.3580   0.8151   2.4720   1.1950   2.2440   1.1090 0.2282000 1.630000 
1 1 1  -65    5   26 o   2.4720   0.8666   2.2910   1.1410   2.6520   1.3050 -0.3609000 1.733000 
1 1 1  -65    5   27 o   6.9980   1.0970   4.5590   1.8700   9.4370   1.1470 -4.878000 2.194000 
1 1 1  -65    7    1 o   4.3370   1.3440   4.6710   1.9290   4.0030   1.8720 0.6683000 2.688000 
1 1 1  -65    7    2 o   5.4910   1.4690   5.7270   2.0180   5.2560   2.1350 0.4717000 2.938000 
1 1 1  -65    7    3 o   5.6160   1.4990   5.2990   2.0170   5.9330   2.2190 -0.6341000 2.998000 
1 1 1  -65    7    4 o   9.2670   1.3420   9.0080   1.7520   9.5260   2.0330 -0.5180000 2.684000 
1 1 1  -65    7    5 o   12.860   0.9171   12.950   1.1520   12.770   1.4270 0.1811000 1.834000 
1 1 1  -65    7    6 o   12.330   0.9342   13.110   1.1040   11.550   1.5070 1.558000 1.868000 
1 1 1  -65    7    7 o   7.4170   1.3560   5.4750   1.9670   9.3590   1.8680 -3.884000 2.713000 
1 1 1  -65    7    8 o   4.7850   1.3710   5.2810   1.9700   4.2890   1.9060 0.9916000 2.741000 
1 1 1  -65    7    9 o   17.490   0.6383   17.230   0.8419   17.760   0.9596 -0.5292000 1.277000 
1 1 1  -65    7   10 o   6.9180   1.2550   9.0160   1.5850   4.8210   1.9460 4.195000 2.510000 
1 1 1  -65    7   11 o   10.530   1.0030   12.400   1.1080   8.6710   1.6710 3.724000 2.005000 
1 1 1  -65    7   12 o   5.7100   1.2940   7.0390   1.8200   4.3800   1.8410 2.659000 2.589000 
1 1 1  -65    7   13 o   3.3620   1.1090   3.3340   1.5460   3.3890   1.5910 -0.5525000E-01 2.218000 
1 1 1  -65    7   14 o   4.2230   1.2350   4.8190   1.8300   3.6270   1.6580 1.191000 2.469000 
1 1 1  -65    7   15 o   6.0200   1.3010   4.6050   1.8440   7.4350   1.8370 -2.830000 2.603000 
1 1 1  -65    7   16 o   5.4070   1.0760   5.1230   1.4420   5.6920   1.5980 -0.5691000 2.152000 
1 1 1  -65    7   17 o   9.4360   0.6256   9.0920   0.8956   9.7800   0.8739 -0.6887000 1.251000 
1 1 1  -65    7   18 o   13.940   0.4715   13.820   0.6076   14.060   0.7210 -0.2398000 0.9429000 
1 1 1  -65    7   19 o   7.2500   0.8284   7.4020   1.1200   7.0970   1.2210 0.3052000 1.657000 
1 1 1  -65    7   20 o   4.2870   1.1910   4.1920   1.6540   4.3830   1.7130 -0.1908000 2.381000 
1 1 1  -65    7   21 o   18.580   0.3826   18.280   0.5457   18.880   0.5363 -0.6017000 0.7651000 
1 1 1  -65    7   22 o   15.360   0.4451   15.520   0.6186   15.200   0.6400 0.3154000 0.8901000 
1 1 1  -65    7   23 o   2.6340   0.8843   2.1220   1.0600   3.1460   1.4160 -1.023000 1.769000 
1 1 1  -65    7   24 o   3.7970   1.1580   4.8600   1.9070   2.7340   1.3130 2.126000 2.315000 
1 1 1  -65    7   25 o   3.2300   1.0040   2.8940   1.3320   3.5670   1.5030 -0.6735000 2.009000 
1 1 1  -65    7   26 o   3.6340   1.0730   3.8480   1.5540   3.4210   1.4790 0.4272000 2.145000 
1 1 1  -65    9    1 o   5.5320   1.6870   5.1980   2.3000   5.8660   2.4670 -0.6677000 3.373000 
1 1 1  -65    9    2 o   5.5680   1.7030   5.3840   2.3480   5.7530   2.4660 -0.3693000 3.405000 
1 1 1  -65    9    3 o   8.9880   1.7940   6.7120   2.5610   11.260   2.5140 -4.552000 3.589000 
1 1 1  -65    9    4 o   8.1400   1.8740   8.6230   2.5610   7.6580   2.7370 0.9653000 3.748000 
1 1 1  -65    9    5 o   6.7250   1.8160   7.3010   2.5670   6.1490   2.5710 1.152000 3.633000 
1 1 1  -65    9    6 o   4.1390   1.4180   3.8780   1.8850   4.3990   2.1180 -0.5201000 2.835000 
1 1 1  -65    9    7 o   5.7100   1.7440   5.5010   2.3730   5.9190   2.5560 -0.4170000 3.488000 
1 1 1  -65    9    8 o   6.7750   1.8710   6.3860   2.5290   7.1640   2.7590 -0.7778000 3.743000 
1 1 1  -65    9    9 o   5.9130   2.4750   5.9130   2.4750  ?   ?       ?      ? 
1 1 1  -65    9   10 o   4.3520   1.4520   4.2820   2.0420   4.4230   2.0660 -0.1410000 2.905000 
1 1 1  -65    9   11 o   7.3080   1.6630   9.5770   2.4790   5.0390   2.2170 4.537000 3.326000 
1 1 1  -65    9   12 o   7.5090   1.7850   8.3180   2.5880   6.7000   2.4590 1.617000 3.570000 
1 1 1  -65    9   13 o   5.9050   1.6650   7.3850   2.6190   4.4250   2.0560 2.960000 3.330000 
1 1 1  -65    9   14 o   5.3660   1.3130   3.7680   1.7140   6.9630   1.9890 -3.195000 2.626000 
1 1 1  -65    9   15 o   10.320   1.0340   11.040   1.3360   9.6060   1.5790 1.437000 2.068000 
1 1 1  -65    9   16 o   4.9730   1.3670   4.5280   1.8750   5.4190   1.9910 -0.8904000 2.734000 
1 1 1  -65    9   17 o   5.7290   1.0150   6.3840   1.2780   5.0740   1.5760 1.310000 2.030000 
1 1 1  -65    9   18 o   12.950   0.4883   13.750   0.6802   12.150   0.7008 1.598000 0.9766000 
1 1 1  -65    9   19 o   6.3700   0.9771   5.9450   1.4520   6.7940   1.3080 -0.8486000 1.954000 
1 1 1  -65    9   20 o   7.7570   1.0660   7.6210   1.5290   7.8920   1.4870 -0.2709000 2.133000 
1 1 1  -65    9   21 o   4.4160   1.0950   5.4240   1.6030   3.4070   1.4920 2.017000 2.190000 
1 1 1  -65    9   22 o   4.0070   1.1280   4.5200   1.6620   3.4940   1.5260 1.026000 2.256000 
1 1 1  -65    9   23 o   10.570   0.6384   11.190   0.8405   9.9460   0.9611 1.245000 1.277000 
1 1 1  -65    9   24 o   4.0190   1.0900   3.2740   1.4620   4.7640   1.6170 -1.490000 2.180000 
1 1 1  -65    9   25 o   2.7330   0.9071   2.4490   1.1830   3.0160   1.3750 -0.5670000 1.814000 
1 1 1  -65   11    1 f   4.4480   1.3840   4.9150   2.0500   3.9820   1.8600 0.9325000 2.768000 
1 1 1  -65   11    2 o   5.5630   1.5280   5.0830   2.0630   6.0430   2.2550 -0.9597000 3.056000 
1 1 1  -65   11    3 o   12.090   1.1170   13.390   1.2990   10.780   1.8190 2.604000 2.235000 
1 1 1  -65   11    4 o   9.8830   1.6270   10.420   1.6900   9.3440   2.7810 1.077000 3.255000 
1 1 1  -65   11    5 o   9.0070   1.4290   10.040   1.7010   7.9760   2.2980 2.062000 2.859000 
1 1 1  -65   11    6 o   8.6170   1.4160   10.190   1.6490   7.0420   2.3020 3.151000 2.832000 
1 1 1  -65   11    7 o   5.3210   1.5040   5.3000   2.0620   5.3420   2.1890 -0.4218000E-01 3.008000 
1 1 1  -65   11    8 o   4.2970   1.3480   4.4850   1.9180   4.1090   1.8950 0.3753000 2.696000 
1 1 1  -65   11    9 o   6.1560   1.5050   6.3890   2.0960   5.9240   2.1600 0.4653000 3.010000 
1 1 1  -65   11   10 o   8.0770   1.3610   7.7260   1.9080   8.4290   1.9420 -0.7035000 2.723000 
1 1 1  -65   11   11 o   6.3250   1.4120   4.9480   1.9630   7.7010   2.0290 -2.753000 2.823000 
1 1 1  -65   11   12 o   3.8280   1.2350   4.0740   1.8060   3.5820   1.6850 0.4918000 2.470000 
1 1 1  -65   11   13 o   8.4530   1.2970   8.1360   1.8540   8.7710   1.8130 -0.6357000 2.593000 
1 1 1  -65   11   14 o   5.1660   1.4040   4.7810   1.9210   5.5500   2.0480 -0.7685000 2.808000 
1 1 1  -65   11   15 o   7.5570   1.4040   6.9220   2.0090   8.1930   1.9600 -1.271000 2.807000 
1 1 1  -65   11   16 o   11.830   0.9375   11.940   1.2640   11.710   1.3850 0.2264000 1.875000 
1 1 1  -65   11   17 o   7.8910   0.8122   9.2890   0.8734   6.4920   1.3690 2.797000 1.624000 
1 1 1  -65   11   18 o   10.490   0.5797   10.030   0.8389   10.960   0.8003 -0.9241000 1.159000 
1 1 1  -65   11   19 o   6.6820   0.9716   7.0240   1.2790   6.3390   1.4630 0.6857000 1.943000 
1 1 1  -65   11   20 o   2.8850   0.9742   2.4260   1.2070   3.3450   1.5290 -0.9190000 1.948000 
1 1 1  -65   11   21 o   2.7930   0.9127   2.7680   1.2800   2.8180   1.3010 -0.4989000E-01 1.825000 
1 1 1  -65   11   22 o   5.1200   1.1120   5.5840   1.5480   4.6560   1.5960 0.9283000 2.223000 
1 1 1  -65   11   23 o   2.6490   0.8874   3.0740   1.3930   2.2240   1.1000 0.8497000 1.775000 
1 1 1  -65   11   24 o   3.6570   1.0630   3.1690   1.4170   4.1450   1.5840 -0.9765000 2.126000 
1 1 1  -65   13    1 o   5.0960   1.6330   5.2960   2.3410   4.8960   2.2780 0.4003000 3.266000 
1 1 1  -65   13    2 o   7.7420   2.5850   7.7420   2.5850  ?   ?       ?      ? 
1 1 1  -65   13    3 o   7.9470   1.9280   7.7090   2.5820   8.1840   2.8630 -0.4749000 3.855000 
1 1 1  -65   13    4 o   6.2360   2.5000   6.2360   2.5000  ?   ?       ?      ? 
1 1 1  -65   13    5 o   11.230   1.4080   10.590   2.2730   11.870   1.6630 -1.281000 2.817000 
1 1 1  -65   13    6 o   8.6120   1.4010   10.740   1.6880   6.4850   2.2360 4.254000 2.802000 
1 1 1  -65   13    7 o   8.8870   1.3760   10.860   1.5630   6.9150   2.2660 3.943000 2.752000 
1 1 1  -65   13    8 o   6.2640   1.6580   5.6700   2.1170   6.8590   2.5510 -1.189000 3.315000 
1 1 1  -65   13    9 o   3.5380   1.1940   3.3530   1.6130   3.7220   1.7600 -0.3693000 2.387000 
1 1 1  -65   13   10 o   3.4030   1.1860   3.4130   1.6660   3.3940   1.6890 0.1812000E-01 2.372000 
1 1 1  -65   13   11 o   4.6170   1.4730   4.0070   1.8650   5.2280   2.2810 -1.221000 2.947000 
1 1 1  -65   13   12 o   6.5410   1.5980   7.8440   2.2450   5.2380   2.2750 2.606000 3.196000 
1 1 1  -65   13   13 o   4.0150   1.3310   4.4370   1.9950   3.5930   1.7630 0.8438000 2.662000 
1 1 1  -65   13   14 o   3.3570   1.1650   3.9350   1.8490   2.7790   1.4170 1.156000 2.329000 
1 1 1  -65   13   15 o   3.2850   1.1490   3.6100   1.7410   2.9600   1.4990 0.6499000 2.297000 
1 1 1  -65   13   16 o   4.3640   1.3480   4.4270   1.9070   4.3010   1.9050 0.1260000 2.696000 
1 1 1  -65   13   17 o   7.7660   0.7180   8.7280   0.9522   6.8040   1.0750 1.924000 1.436000 
1 1 1  -65   13   18 o   4.1500   0.9949   5.2600   1.3940   3.0400   1.4200 2.220000 1.990000 
1 1 1  -65   13   19 o   5.7340   1.0710   5.9770   1.5370   5.4910   1.4930 0.4859000 2.142000 
1 1 1  -65   13   20 o   2.6260   0.9070   2.7300   1.3210   2.5230   1.2430 0.2068000 1.814000 
1 1 1  -65   13   21 o   4.5630   1.0190   5.9370   1.4680   3.1890   1.4130 2.748000 2.037000 
1 1 1  -65   13   22 o   3.0010   0.9501   2.5090   1.2020   3.4930   1.4720 -0.9831000 1.900000 
1 1 1  -65   13   23 o   2.5790   0.8834   2.3060   1.1710   2.8510   1.3230 -0.5448000 1.767000 
1 1 1  -65   15    1 o   6.9810   0.9076   6.8360   1.4840   7.1250   1.0450 -0.2888000 1.815000 
1 1 1  -65   15    2 f   4.2920   1.4370   5.3280   2.3820   3.2560   1.6080 2.073000 2.874000 
1 1 1  -65   15    3 o   3.7380   1.2600   3.5260   1.6940   3.9490   1.8650 -0.4224000 2.520000 
1 1 1  -65   15    4 o   5.1750   1.5280   6.1470   2.2680   4.2030   2.0490 1.944000 3.057000 
1 1 1  -65   15    5 o   5.9510   1.5920   5.6280   2.2000   6.2750   2.3020 -0.6474000 3.184000 
1 1 1  -65   15    6 o   4.1040   1.3320   3.5930   1.7210   4.6160   2.0340 -1.023000 2.665000 
1 1 1  -65   15    7 o   4.4790   1.4040   4.2760   1.9170   4.6820   2.0510 -0.4064000 2.808000 
1 1 1  -65   15    8 o   3.9780   1.3340   4.0540   1.8600   3.9030   1.9130 0.1510000 2.668000 
1 1 1  -65   15    9 o   3.8030   1.2580   3.9610   1.8130   3.6440   1.7440 0.3168000 2.516000 
1 1 1  -65   15   10 o   5.4440   1.5120   5.2120   2.0910   5.6770   2.1840 -0.4646000 3.024000 
1 1 1  -65   15   11 o   7.8210   1.4430   8.7130   1.8800   6.9290   2.1910 1.784000 2.887000 
1 1 1  -65   15   12 o   4.1600   1.3040   4.7990   1.9910   3.5210   1.6850 1.278000 2.608000 
1 1 1  -65   15   13 o   6.4520   1.4520   7.5870   1.9890   5.3180   2.1160 2.269000 2.904000 
1 1 1  -65   15   14 o   13.910   0.9015   15.800   1.0280   12.020   1.4810 3.779000 1.803000 
1 1 1  -65   15   15 o   14.720   0.6162   14.400   1.1030   15.040   0.5487 -0.6376000 1.232000 
1 1 1  -65   15   16 o   8.3520   0.7737   9.4580   0.8544   7.2470   1.2900 2.212000 1.547000 
1 1 1  -65   15   17 o   3.6770   0.9987   3.8600   1.4110   3.4940   1.4140 0.3658000 1.997000 
1 1 1  -65   15   18 o   4.2600   1.0060   5.1590   1.4230   3.3600   1.4230 1.799000 2.013000 
1 1 1  -65   15   19 o   2.4500   0.8549   2.5580   1.2490   2.3430   1.1670 0.2155000 1.710000 
1 1 1  -65   15   20 o   2.5790   0.8800   2.6900   1.3000   2.4670   1.1860 0.2232000 1.760000 
1 1 1  -65   15   21 o   2.5900   0.8886   2.3730   1.1810   2.8060   1.3280 -0.4328000 1.777000 
1 1 1  -65   17    1 o   4.2520   1.0770   4.7120   1.5110   3.7920   1.5360 0.9196000 2.154000 
1 1 1  -65   17    2 o   5.1890   1.1050   5.2260   1.3620   5.1530   1.7390 0.7243000E-01 2.209000 
1 1 1  -65   17    3 o   2.7590   0.8999   2.5960   1.2480   2.9220   1.2970 -0.3251000 1.800000 
1 1 1  -65   17    4 o   3.3320   1.1170   3.7160   1.7760   2.9490   1.3560 0.7662000 2.234000 
1 1 1  -65   17    5 o   6.1690   1.5770   7.2320   2.2980   5.1070   2.1610 2.125000 3.154000 
1 1 1  -65   17    6 o   3.8440   1.2810   4.2930   1.9520   3.3950   1.6590 0.8983000 2.562000 
1 1 1  -65   17    7 o   5.2280   1.4910   6.1280   2.2360   4.3290   1.9730 1.799000 2.982000 
1 1 1  -65   17    8 o   6.8670   1.6750   7.8440   2.1960   5.8890   2.5290 1.955000 3.349000 
1 1 1  -65   17    9 o   4.9250   1.4070   6.2380   2.2100   3.6120   1.7420 2.626000 2.814000 
1 1 1  -65   17   10 o   6.4970   1.5880   6.4940   2.2230   6.4990   2.2700 -0.5080000E-02 3.177000 
1 1 1  -65   17   11 o   7.1740   1.4480   8.6420   1.8970   5.7070   2.1890 2.935000 2.896000 
1 1 1  -65   17   12 f   3.0980   1.0770   2.7380   1.3650   3.4570   1.6670 -0.7195000 2.154000 
1 1 1  -65   17   13 o   4.6300   1.1370   3.7530   1.7310   5.5060   1.4740 -1.753000 2.273000 
1 1 1  -65   17   14 o   15.090   0.4209   15.710   0.5521   14.470   0.6356 1.242000 0.8419000 
1 1 1  -65   17   15 o   4.7810   0.8492   6.4260   1.0790   3.1360   1.3120 3.290000 1.698000 
1 1 1  -65   17   16 o   4.1890   0.9988   4.6610   1.4090   3.7160   1.4160 0.9453000 1.998000 
1 1 1  -65   17   17 o   2.3500   0.7979   2.3340   1.1220   2.3670   1.1340 -0.3312000E-01 1.596000 
1 1 1  -65   17   18 o   2.9050   0.9676   2.9210   1.3740   2.8900   1.3630 0.3036000E-01 1.935000 
1 1 1  -65   19    1 o   2.6160   0.9100   2.1420   1.0820   3.0910   1.4630 -0.9497000 1.820000 
1 1 1  -65   19    2 o   3.2720   1.0180   2.5090   1.1940   4.0360   1.6500 -1.527000 2.037000 
1 1 1  -65   19    3 o   4.3780   1.0030   5.5350   1.4390   3.2200   1.3980 2.316000 2.006000 
1 1 1  -65   19    4 o   7.4550   0.8106   8.6530   0.9071   6.2560   1.3440 2.397000 1.621000 
1 1 1  -65   19    5 o   8.4720   0.6949   9.9750   0.7504   6.9680   1.1700 3.007000 1.390000 
1 1 1  -65   19    6 o   6.7590   0.9390   8.2440   1.2360   5.2740   1.4140 2.970000 1.878000 
1 1 1  -65   19    7 o   4.9030   0.9715   3.7270   1.5260   6.0790   1.2020 -2.352000 1.943000 
1 1 1  -65   19    8 o   2.6740   0.8733   2.8790   1.3190   2.4690   1.1450 0.4095000 1.747000 
1 1 1  -65   19    9 o   3.0830   0.9346   3.0990   1.3680   3.0660   1.2740 0.3275000E-01 1.869000 
1 1 1  -65   19   10 o   2.1700   0.7476   2.2000   1.0860   2.1400   1.0280 0.5964000E-01 1.495000 
1 1 1  -65   19   11 o   2.9550   0.9101   2.7800   1.2900   3.1300   1.2840 -0.3504000 1.820000 
1 1 1  -65   19   12 o   4.6800   0.9571   4.5800   1.3450   4.7790   1.3620 -0.1991000 1.914000 
1 1 1  -65   19   13 o   2.5920   0.8230   1.8930   0.9426   3.2910   1.3490 -1.398000 1.646000 
1 1 1  -65   19   14 o   2.2270   0.7616   2.3820   1.1340   2.0710   1.0170 0.3116000 1.523000 
1 1 1  -65   19   15 o   2.6470   0.9312   2.7300   1.3260   2.5640   1.3070 0.1660000 1.862000 
1 1 1  -65   21    2 o   1.7950   0.6594   1.7270   0.8942   1.8620   0.9692 -0.1352000 1.319000 
1 1 1  -65   21    3 o   2.8460   0.9669   2.3720   1.1850   3.3210   1.5280 -0.9490000 1.934000 
1 1 1  -65   21    4 o   2.5060   0.8757   2.5780   1.2670   2.4340   1.2090 0.1439000 1.751000 
1 1 1  -65   21    5 o   2.2350   0.7924   2.1500   1.0840   2.3200   1.1560 -0.1697000 1.585000 
1 1 1  -65   21    6 o   2.9600   0.9673   2.4000   1.1580   3.5200   1.5500 -1.120000 1.935000 
1 1 1  -65   21    7 o   2.1880   0.7696   2.2320   1.1170   2.1440   1.0600 0.8806000E-01 1.539000 
1 1 1  -65   21    8 o   2.3700   1.2250   2.3700   1.2250  ?   ?       ?      ? 
1 1 1  -65   21    9 o   1.7190   0.8955   1.7190   0.8955  ?   ?       ?      ? 
1 1 1  -64    0    1 o   1.7670   1.2830   1.7670   1.2830   1.7670   1.2830 -0.000000 0.000000 
1 1 1  -64    0    2 o   2.3270   1.5930   2.3270   1.5930   2.3270   1.5930 -0.000000 0.000000 
1 1 1  -64    0    3 o   17.780   0.4922   17.780   0.4922   17.780   0.4922 0.000000 0.000000 
1 1 1  -64    0    4 o   7.6360   1.0170   7.6360   1.0170   7.6360   1.0170 0.000000 0.000000 
1 1 1  -64    0    5 o   11.160   0.6359   11.160   0.6359   11.160   0.6359 0.000000 0.000000 
1 1 1  -64    0    6 o   18.950   0.4085   18.950   0.4085   18.950   0.4085 -0.000000 0.000000 
1 1 1  -64    0    7 o   11.720   0.5758   11.720   0.5758   11.720   0.5758 0.000000 0.000000 
1 1 1  -64    0    8 o   9.4630   0.6832   9.4630   0.6832   9.4630   0.6832 0.000000 0.000000 
1 1 1  -64    0    9 o   2.9990   1.5680   2.9990   1.5680   2.9990   1.5680 -0.000000 0.000000 
1 1 1  -64    0   10 o   9.3450   0.6841   9.3450   0.6841   9.3450   0.6841 -0.000000 0.000000 
1 1 1  -64    0   11 o   2.1380   1.3530   2.1380   1.3530   2.1380   1.3530 0.000000 0.000000 
1 1 1  -64    0   12 o   3.3630   1.5970   3.3630   1.5970   3.3630   1.5970 -0.000000 0.000000 
1 1 1  -64    0   13 o   12.510   0.5156   12.510   0.5156   12.510   0.5156 -0.000000 0.000000 
1 1 1  -64    0   14 f   7.3240   1.2200   7.3240   1.2200   7.3240   1.2200 -0.000000 0.000000 
1 1 1  -64    0   15 o   30.230   0.4996   30.230   0.4996   30.230   0.4996 -0.000000 0.000000 
1 1 1  -64    0   16 o   22.910   0.3901   22.910   0.3901   22.910   0.3901 0.000000 0.000000 
1 1 1  -64    0   17 o   6.1880   1.3630   6.1880   1.3630   6.1880   1.3630 0.000000 0.000000 
1 1 1  -64    0   18 o   2.1170   1.4040   2.1170   1.4040   2.1170   1.4040 -0.000000 0.000000 
1 1 1  -64    0   19 o   8.5540   1.0100   8.5540   1.0100   8.5540   1.0100 -0.000000 0.000000 
1 1 1  -64    0   20 o   11.610   0.7716   11.610   0.7716   11.610   0.7716 -0.000000 0.000000 
1 1 1  -64    0   21 o   3.8700   1.9140   3.8700   1.9140   3.8700   1.9140 0.000000 0.000000 
1 1 1  -64    0   22 o   10.340   0.9064   10.340   0.9064   10.340   0.9064 -0.000000 0.000000 
1 1 1  -64    0   23 o   3.7580   1.9250   3.7580   1.9250   3.7580   1.9250 -0.000000 0.000000 
1 1 1  -64    0   24 o   3.4710   2.0680   3.4710   2.0680   3.4710   2.0680 -0.000000 0.000000 
1 1 1  -64    0   25 o   12.180   0.9056   12.180   0.9056   12.180   0.9056 -0.000000 0.000000 
1 1 1  -64    0   26 o   4.2410   2.0230   4.2410   2.0230   4.2410   2.0230 -0.000000 0.000000 
1 1 1  -64    0   27 o   2.8940   1.7700   2.8940   1.7700   2.8940   1.7700 -0.000000 0.000000 
1 1 1  -64    0   28 o   4.3040   2.0160   4.3040   2.0160   4.3040   2.0160 -0.000000 0.000000 
1 1 1  -64    2    1 o   3.3020   0.9789   3.1950   1.3840   3.4100   1.3850 -0.2144000 1.958000 
1 1 1  -64    2    2 o   6.4010   0.8574   5.6970   1.3780   7.1050   1.0210 -1.408000 1.715000 
1 1 1  -64    2    3 o   9.7550   0.5164   9.4930   0.7793   10.020   0.6779 -0.5233000 1.033000 
1 1 1  -64    2    4 f   6.5860   0.8022   7.5770   1.0990   5.5950   1.1690 1.982000 1.604000 
1 1 1  -64    2    5 o   5.5890   1.0010   6.0270   1.4350   5.1500   1.3950 0.8767000 2.001000 
1 1 1  -64    2    6 o   6.8520   0.6979   7.2550   0.7640   6.4490   1.1680 0.8055000 1.396000 
1 1 1  -64    2    7 o   16.870   0.5079   16.650   0.8770   17.080   0.5125 -0.4260000 1.016000 
1 1 1  -64    2    8 o   5.2250   1.1480   4.9270   1.8880   5.5230   1.3060 -0.5967000 2.295000 
1 1 1  -64    2    9 f   11.430   0.5215   11.090   0.7779   11.770   0.6949 -0.6806000 1.043000 
1 1 1  -64    2   10 f   7.8080   0.6839   8.0510   0.7401   7.5650   1.1500 0.4863000 1.368000 
1 1 1  -64    2   11 o   6.3550   1.0100   7.3810   1.2970   5.3290   1.5480 2.052000 2.020000 
1 1 1  -64    2   12 o   15.540   0.3466   15.400   0.5610   15.680   0.4071 -0.2732000 0.6932000 
1 1 1  -64    2   13 o   10.540   0.4344   10.470   0.6290   10.620   0.5992 -0.1439000 0.8688000 
1 1 1  -64    2   14 o   12.350   0.3957   11.940   0.5868   12.750   0.5308 -0.8086000 0.7913000 
1 1 1  -64    2   15 o   14.880   0.3454   15.150   0.4898   14.610   0.4870 0.5475000 0.6908000 
1 1 1  -64    2   16 o   15.750   0.3686   15.960   0.4917   15.540   0.5493 0.4204000 0.7372000 
1 1 1  -64    2   17 o   17.390   0.3967   16.980   0.5840   17.790   0.5370 -0.8169000 0.7934000 
1 1 1  -64    2   18 o   20.370   0.3200   20.310   0.4548   20.420   0.4504 -0.1059000 0.6400000 
1 1 1  -64    2   19 o   3.1220   0.9691   3.3160   1.4210   2.9280   1.3180 0.3886000 1.938000 
1 1 1  -64    2   20 o   8.8840   0.6954   8.6130   1.0120   9.1550   0.9534 -0.5418000 1.391000 
1 1 1  -64    2   21 o   7.2890   0.8925   8.0350   1.1110   6.5440   1.3970 1.491000 1.785000 
1 1 1  -64    2   22 o   7.4110   0.9952   7.7310   1.4810   7.0920   1.3290 0.6388000 1.990000 
1 1 1  -64    2   23 o   13.350   0.5934   13.190   0.8798   13.510   0.7966 -0.3225000 1.187000 
1 1 1  -64    2   24 o   12.920   0.5369   13.420   0.7348   12.410   0.7830 1.010000 1.074000 
1 1 1  -64    2   25 o   4.8340   1.1680   5.8920   1.6730   3.7750   1.6290 2.117000 2.335000 
1 1 1  -64    2   26 o   3.0110   0.9836   2.7250   1.3120   3.2960   1.4660 -0.5706000 1.967000 
1 1 1  -64    2   27 o   4.0130   1.1240   4.0810   1.5960   3.9450   1.5840 0.1361000 2.249000 
1 1 1  -64    2   28 o   2.4210   0.8504   2.1680   1.0940   2.6740   1.3020 -0.5062000 1.701000 
1 1 1  -64    4    1 o   5.3130   0.9427   5.8440   1.4000   4.7820   1.2630 1.062000 1.885000 
1 1 1  -64    4    2 o   9.9050   0.5044   9.7680   0.7517   10.040   0.6728 -0.2752000 1.009000 
1 1 1  -64    4    3 o   12.280   0.9710   14.180   0.9799   10.380   1.6770 3.806000 1.942000 
1 1 1  -64    4    4 o   4.9760   1.3930   4.4170   1.8220   5.5350   2.1060 -1.117000 2.785000 
1 1 1  -64    4    5 o   8.6990   1.1980   8.5040   1.5610   8.8930   1.8180 -0.3893000 2.397000 
1 1 1  -64    4    6 o   12.520   0.8081   13.170   0.9574   11.870   1.3020 1.308000 1.616000 
1 1 1  -64    4    7 o   5.7190   1.3650   5.7290   1.8270   5.7090   2.0270 0.2008000E-01 2.729000 
1 1 1  -64    4    8 o   8.8610   1.1270   10.110   1.1830   7.6150   1.9190 2.492000 2.254000 
1 1 1  -64    4    9 o   20.420   0.5079   20.700   0.6584   20.140   0.7736 0.5555000 1.016000 
1 1 1  -64    4   10 o   3.2230   1.0830   3.0810   1.4440   3.3650   1.6140 -0.2834000 2.166000 
1 1 1  -64    4   11 o   7.8310   1.0810   7.3240   1.5700   8.3370   1.4870 -1.013000 2.162000 
1 1 1  -64    4   12 o   6.1940   1.1140   8.1300   1.4030   4.2570   1.7310 3.873000 2.228000 
1 1 1  -64    4   13 o   3.7890   0.8770   2.8120   1.3460   4.7660   1.1250 -1.954000 1.754000 
1 1 1  -64    4   14 o   12.220   0.4563   12.870   0.5781   11.560   0.7063 1.314000 0.9127000 
1 1 1  -64    4   15 o   2.5830   0.8270   2.2200   1.0650   2.9460   1.2660 -0.7263000 1.654000 
1 1 1  -64    4   16 o   10.790   0.4907   10.240   0.7104   11.340   0.6770 -1.098000 0.9814000 
1 1 1  -64    4   17 o   8.9480   0.6407   7.7750   1.0080   10.120   0.7904 -2.346000 1.281000 
1 1 1  -64    4   18 o   5.5530   1.0920   6.6840   1.4810   4.4210   1.6050 2.264000 2.183000 
1 1 1  -64    4   19 o   4.8900   1.0650   5.1710   1.4870   4.6100   1.5260 0.5605000 2.131000 
1 1 1  -64    4   20 o   7.7670   0.9433   7.1130   1.5570   8.4200   1.0660 -1.307000 1.887000 
1 1 1  -64    4   21 o   20.210   0.4285   19.870   0.6468   20.550   0.5621 -0.6839000 0.8569000 
1 1 1  -64    4   22 o   19.930   0.3680   19.720   0.5245   20.130   0.5164 -0.4038000 0.7360000 
1 1 1  -64    4   23 o   13.240   0.5190   13.320   0.7119   13.160   0.7556 0.1614000 1.038000 
1 1 1  -64    4   24 o   14.610   0.4801   15.010   0.6621   14.200   0.6955 0.8042000 0.9603000 
1 1 1  -64    4   25 o   4.2250   1.1390   4.6880   1.6180   3.7610   1.6020 0.9276000 2.277000 
1 1 1  -64    4   26 o   3.0710   1.0230   3.3460   1.5470   2.7970   1.3390 0.5487000 2.046000 
1 1 1  -64    4   27 f   5.4980   1.2210   4.5820   1.7410   6.4130   1.7120 -1.831000 2.441000 
1 1 1  -64    6    1 o   11.740   0.4318   11.300   0.6428   12.180   0.5767 -0.8812000 0.8636000 
1 1 1  -64    6    2 o   12.380   0.9641   11.460   1.3290   13.290   1.3970 -1.822000 1.928000 
1 1 1  -64    6    3 o   16.400   0.7591   17.150   0.9030   15.640   1.2210 1.504000 1.518000 
1 1 1  -64    6    4 o   7.1950   1.4820   7.2460   1.9330   7.1430   2.2450 0.1029000 2.963000 
1 1 1  -64    6    5 o   5.8970   1.4780   5.6390   2.0000   6.1560   2.1780 -0.5168000 2.956000 
1 1 1  -64    6    6 o   16.810   0.6815   17.190   0.8670   16.430   1.0520 0.7625000 1.363000 
1 1 1  -64    6    7 o   9.3920   1.1670   9.7390   1.4030   9.0450   1.8650 0.6933000 2.334000 
1 1 1  -64    6    8 o   7.2410   1.3580   7.0470   1.8440   7.4350   1.9930 -0.3875000 2.715000 
1 1 1  -64    6    9 o   6.5450   1.3950   5.8560   1.9110   7.2340   2.0340 -1.378000 2.791000 
1 1 1  -64    6   10 o   4.2620   1.2710   3.8250   1.6950   4.6990   1.8940 -0.8741000 2.542000 
1 1 1  -64    6   11 o   5.8600   1.2710   4.4590   1.8140   7.2610   1.7790 -2.803000 2.541000 
1 1 1  -64    6   12 o   3.6200   1.1470   4.2270   1.7800   3.0130   1.4480 1.214000 2.295000 
1 1 1  -64    6   13 o   16.220   0.5974   16.150   0.8233   16.290   0.8659 -0.1406000 1.195000 
1 1 1  -64    6   14 o   10.280   0.9205   8.7200   1.4670   11.830   1.1130 -3.111000 1.841000 
1 1 1  -64    6   15 o   8.4280   0.8742   8.4680   1.4820   8.3880   0.9278 0.7907000E-01 1.748000 
1 1 1  -64    6   16 o   7.9480   0.7015   7.2360   1.1210   8.6600   0.8442 -1.424000 1.403000 
1 1 1  -64    6   17 o   5.0050   1.0220   5.3430   1.3840   4.6670   1.5030 0.6763000 2.044000 
1 1 1  -64    6   18 o   9.8150   0.7041   9.2150   1.0560   10.410   0.9321 -1.199000 1.408000 
1 1 1  -64    6   19 o   3.1100   1.0510   3.0830   1.4860   3.1370   1.4880 -0.5418000E-01 2.103000 
1 1 1  -64    6   20 o   4.3920   1.0890   4.2420   1.5180   4.5430   1.5610 -0.3010000 2.178000 
1 1 1  -64    6   21 o   11.740   0.5547   11.960   0.7532   11.520   0.8146 0.4419000 1.109000 
1 1 1  -64    6   22 o   10.330   0.6542   10.620   0.8807   10.050   0.9676 0.5754000 1.308000 
1 1 1  -64    6   23 o   4.5560   1.1170   3.7330   1.5240   5.3790   1.6320 -1.646000 2.233000 
1 1 1  -64    6   24 o   7.9440   0.8670   7.3590   1.3060   8.5290   1.1410 -1.170000 1.734000 
1 1 1  -64    6   25 o   6.0850   1.1640   5.1800   1.7130   6.9890   1.5770 -1.808000 2.328000 
1 1 1  -64    6   26 o   6.6170   1.0640   7.2310   1.3130   6.0040   1.6730 1.226000 2.127000 
1 1 1  -64    6   27 o   3.1040   1.0130   2.7780   1.3280   3.4300   1.5290 -0.6517000 2.025000 
1 1 1  -64    8    1 o   4.2330   1.4190   4.5620   2.0900   3.9030   1.9190 0.6596000 2.837000 
1 1 1  -64    8    2 o   5.7900   1.5300   4.4390   2.0590   7.1400   2.2650 -2.701000 3.061000 
1 1 1  -64    8    3 o   4.2950   1.3440   4.6680   1.9470   3.9230   1.8540 0.7455000 2.688000 
1 1 1  -64    8    4 o   3.7760   1.2520   3.5020   1.6460   4.0500   1.8870 -0.5486000 2.504000 
1 1 1  -64    8    5 o   4.0720   1.2990   3.7960   1.7180   4.3470   1.9490 -0.5510000 2.597000 
1 1 1  -64    8    6 o   10.930   1.0640   11.330   1.2600   10.540   1.7160 0.7905000 2.129000 
1 1 1  -64    8    7 o   14.760   0.7775   12.940   1.1030   16.590   1.0960 -3.648000 1.555000 
1 1 1  -64    8    8 o   6.1890   1.4670   6.2050   1.9560   6.1720   2.1870 0.3356000E-01 2.935000 
1 1 1  -64    8    9 o   8.4050   1.4370   8.5800   1.6260   8.2310   2.3710 0.3493000 2.874000 
1 1 1  -64    8   10 o   14.510   0.7109   13.620   1.0070   15.400   1.0030 -1.776000 1.422000 
1 1 1  -64    8   11 o   5.5670   1.3240   4.1370   1.7730   6.9960   1.9660 -2.858000 2.647000 
1 1 1  -64    8   12 o   6.1610   1.3570   6.8430   1.8680   5.4800   1.9680 1.363000 2.714000 
1 1 1  -64    8   13 o   7.0830   1.5460   9.0310   2.3890   5.1340   1.9640 3.896000 3.092000 
1 1 1  -64    8   14 f   4.3930   1.4350   4.8490   2.1810   3.9380   1.8650 0.9115000 2.870000 
1 1 1  -64    8   15 o   12.390   1.3350   11.680   2.0780   13.090   1.6770 -1.409000 2.671000 
1 1 1  -64    8   16 o   7.9910   0.7842   8.3540   0.9185   7.6290   1.2710 0.7250000 1.568000 
1 1 1  -64    8   17 o   4.6110   1.0260   4.4990   1.4340   4.7240   1.4680 -0.2253000 2.053000 
1 1 1  -64    8   18 o   9.4850   0.6151   9.4880   0.8494   9.4810   0.8898 0.6750000E-02 1.230000 
1 1 1  -64    8   19 o   17.930   0.3725   18.380   0.5138   17.480   0.5395 0.8969000 0.7451000 
1 1 1  -64    8   20 o   3.0000   0.9960   3.0300   1.4150   2.9690   1.4020 0.6172000E-01 1.992000 
1 1 1  -64    8   21 o   5.4180   1.0160   6.9800   1.3190   3.8560   1.5450 3.125000 2.032000 
1 1 1  -64    8   22 o   7.1350   0.9641   7.2830   1.3270   6.9880   1.3990 0.2952000 1.928000 
1 1 1  -64    8   23 o   11.570   0.6765   11.180   0.9673   11.970   0.9461 -0.7921000 1.353000 
1 1 1  -64    8   24 o   9.4490   0.7299   9.4260   1.0260   9.4730   1.0390 -0.4736000E-01 1.460000 
1 1 1  -64    8   25 o   10.630   0.6329   10.870   0.8612   10.390   0.9277 0.4785000 1.266000 
1 1 1  -64    8   26 o   3.5490   1.0620   3.7070   1.5280   3.3910   1.4750 0.3159000 2.124000 
1 1 1  -64   10    1 o   3.4610   1.1830   3.3490   1.6190   3.5730   1.7250 -0.2243000 2.366000 
1 1 1  -64   10    2 o   5.0730   1.4930   4.8190   2.0180   5.3280   2.2010 -0.5081000 2.986000 
1 1 1  -64   10    3 o   6.0780   1.5590   6.3550   2.1470   5.8000   2.2610 0.5548000 3.118000 
1 1 1  -64   10    4 o   9.2440   1.3970   12.830   1.2860   5.6550   2.4810 7.177000 2.794000 
1 1 1  -64   10    5 o   5.1860   1.4770   4.2000   1.8600   6.1730   2.2950 -1.973000 2.954000 
1 1 1  -64   10    6 o   8.6030   1.7080   8.5680   1.8580   8.6380   2.8680 -0.6939000E-01 3.417000 
1 1 1  -64   10    7 o   11.950   1.4160   12.240   1.2790   11.650   2.5270 0.5873000 2.832000 
1 1 1  -64   10    8 o   5.9710   1.3900   7.7900   1.9030   4.1520   2.0280 3.638000 2.781000 
1 1 1  -64   10    9 o   7.6250   2.5550  ?   ?    7.6250   2.5550      ?      ? 
1 1 1  -64   10   10 o   3.8800   1.2380   3.6750   1.6850   4.0840   1.8150 -0.4086000 2.476000 
1 1 1  -64   10   11 o   8.0210   1.3130   8.6670   1.6960   7.3740   2.0050 1.293000 2.626000 
1 1 1  -64   10   12 o   5.3080   1.4050   4.6450   1.9090   5.9710   2.0610 -1.326000 2.810000 
1 1 1  -64   10   13 o   6.8510   1.4220   6.9770   1.9830   6.7250   2.0370 0.2521000 2.843000 
1 1 1  -64   10   14 o   4.2790   1.2910   3.6490   1.6750   4.9100   1.9650 -1.261000 2.582000 
1 1 1  -64   10   15 o   5.9440   1.4120   6.6390   1.9620   5.2490   2.0310 1.391000 2.824000 
1 1 1  -64   10   16 o   13.430   0.8116   12.110   1.2230   14.760   1.0670 -2.643000 1.623000 
1 1 1  -64   10   17 o   6.3590   0.9077   6.9910   1.2270   5.7270   1.3380 1.263000 1.815000 
1 1 1  -64   10   18 o   10.240   0.5657   10.150   0.7799   10.340   0.8198 -0.1911000 1.131000 
1 1 1  -64   10   19 f   11.180   0.5496   10.610   0.8015   11.750   0.7522 -1.136000 1.099000 
1 1 1  -64   10   20 o   9.3920   1.0570   9.6750   1.4530   9.1090   1.5340 0.5665000 2.113000 
1 1 1  -64   10   21 o   3.3330   1.0320   3.7620   1.5540   2.9040   1.3580 0.8582000 2.064000 
1 1 1  -64   10   22 o   3.0390   0.9697   2.7180   1.2780   3.3590   1.4580 -0.6413000 1.939000 
1 1 1  -64   10   23 o   5.6310   1.1250   5.6910   1.5760   5.5720   1.6060 0.1190000 2.250000 
1 1 1  -64   10   24 o   4.4300   1.1390   4.4240   1.5920   4.4360   1.6300 -0.1133000E-01 2.278000 
1 1 1  -64   10   25 o   11.230   0.6044   11.680   0.8282   10.780   0.8806 0.9064000 1.209000 
1 1 1  -64   12    1 o   6.1640   1.5290   4.7690   2.0290   7.5600   2.2870 -2.791000 3.057000 
1 1 1  -64   12    2 o   8.8810   1.4630   9.9350   1.8020   7.8280   2.3050 2.107000 2.926000 
1 1 1  -64   12    3 o   10.320   1.3120   9.9040   1.8060   10.730   1.9030 -0.8240000 2.623000 
1 1 1  -64   12    4 f   5.7660   1.5750   5.0740   2.0870   6.4580   2.3600 -1.383000 3.150000 
1 1 1  -64   12    5 o   5.4810   1.5250   5.9170   2.1510   5.0450   2.1630 0.8718000 3.051000 
1 1 1  -64   12    6 o   9.4500   1.3630   10.130   1.6960   8.7700   2.1330 1.359000 2.725000 
1 1 1  -64   12    7 o   6.4200   1.4500   7.9840   1.9880   4.8560   2.1100 3.128000 2.899000 
1 1 1  -64   12    8 o   4.1420   1.3540   4.1010   1.8310   4.1830   1.9960 -0.8179000E-01 2.709000 
1 1 1  -64   12    9 o   4.1810   1.3240   4.1500   1.8480   4.2110   1.8960 -0.6172000E-01 2.648000 
1 1 1  -64   12   10 f   5.4520   1.3940   4.2200   1.8440   6.6850   2.0930 -2.465000 2.789000 
1 1 1  -64   12   11 o   15.420   0.7352   14.590   1.0510   16.250   1.0290 -1.663000 1.470000 
1 1 1  -64   12   12 o   6.3180   1.4310   7.1910   1.9820   5.4450   2.0660 1.746000 2.863000 
1 1 1  -64   12   13 o   4.0510   1.2640   3.1300   1.5190   4.9720   2.0220 -1.842000 2.529000 
1 1 1  -64   12   14 o   7.9090   1.3290   6.5750   1.9940   9.2440   1.7560 -2.669000 2.657000 
1 1 1  -64   12   15 o   6.1990   1.6370   6.5610   2.2510   5.8370   2.3780 0.7247000 3.275000 
1 1 1  -64   12   16 f   7.8200   1.2490   8.6960   2.1740   6.9440   1.2290 1.752000 2.498000 
1 1 1  -64   12   17 o   7.9520   0.7553   8.6170   1.0400   7.2860   1.0960 1.331000 1.511000 
1 1 1  -64   12   18 o   3.6550   1.0620   3.5520   1.4890   3.7590   1.5160 -0.2076000 2.124000 
1 1 1  -64   12   19 o   8.6380   0.6977   8.9290   0.9518   8.3470   1.0200 0.5812000 1.395000 
1 1 1  -64   12   20 o   4.5640   1.1980   5.5010   1.7730   3.6260   1.6120 1.876000 2.397000 
1 1 1  -64   12   21 o   3.4640   1.0320   2.9370   1.3400   3.9910   1.5710 -1.054000 2.065000 
1 1 1  -64   12   22 o   6.2490   1.0340   5.8140   1.5170   6.6840   1.4050 -0.8704000 2.068000 
1 1 1  -64   12   23 o   2.8470   0.9374   2.8440   1.3230   2.8490   1.3280 -0.5218000E-02 1.875000 
1 1 1  -64   12   24 o   5.0790   1.0810   6.0730   1.4710   4.0860   1.5860 1.987000 2.163000 
1 1 1  -64   14    1 o   9.3590   0.7678   10.190   0.9666   8.5310   1.1930 1.655000 1.536000 
1 1 1  -64   14    2 o   5.3190   1.5190   4.4060   1.9650   6.2320   2.3160 -1.826000 3.037000 
1 1 1  -64   14    3 o   8.0850   1.9290   7.4830   2.6130   8.6870   2.8370 -1.204000 3.857000 
1 1 1  -64   14    4 o   5.0580   1.6330   5.1250   2.2910   4.9910   2.3280 0.1342000 3.266000 
1 1 1  -64   14    5 o   5.0910   1.6130   5.5640   2.3780   4.6170   2.1790 0.9480000 3.226000 
1 1 1  -64   14    6 o   5.5000   1.6110   6.9360   2.5540   4.0630   1.9650 2.874000 3.223000 
1 1 1  -64   14    7 o   6.2480   1.7350   5.4920   2.2860   7.0030   2.6110 -1.511000 3.470000 
1 1 1  -64   14    8 o   3.9600   1.3350   4.6250   2.0940   3.2940   1.6560 1.331000 2.669000 
1 1 1  -64   14    9 o   7.6360   1.6350   5.0010   2.1790   10.270   2.4380 -5.271000 3.270000 
1 1 1  -64   14   10 o   5.7400   1.6640   4.5300   2.0500   6.9510   2.6220 -2.421000 3.328000 
1 1 1  -64   14   11 f   5.6870   1.6370   5.7260   2.2380   5.6480   2.3900 0.7825000E-01 3.274000 
1 1 1  -64   14   12 o   3.8910   1.3170   3.7050   1.7690   4.0760   1.9510 -0.3713000 2.634000 
1 1 1  -64   14   13 o   3.8060   1.2380   3.9750   1.7870   3.6370   1.7140 0.3377000 2.476000 
1 1 1  -64   14   14 o   4.2580   1.3220   3.6950   1.7140   4.8220   2.0140 -1.127000 2.644000 
1 1 1  -64   14   15 o   3.9490   1.2760   3.9200   1.7850   3.9770   1.8250 -0.5679000E-01 2.552000 
1 1 1  -64   14   16 o   5.2860   1.0550   5.6830   1.4080   4.8900   1.5730 0.7924000 2.111000 
1 1 1  -64   14   17 o   9.9630   0.5653   11.060   0.6638   8.8680   0.9153 2.191000 1.131000 
1 1 1  -64   14   18 o   8.3400   0.7212   8.5930   0.9372   8.0860   1.0960 0.5062000 1.442000 
1 1 1  -64   14   19 o   6.6170   1.1870   6.6150   1.6240   6.6180   1.7320 -0.3291000E-02 2.375000 
1 1 1  -64   14   20 o   7.8570   0.9775   7.3060   1.6120   8.4080   1.1070 -1.102000 1.955000 
1 1 1  -64   14   21 o   5.1060   1.0770   3.8520   1.5390   6.3600   1.5060 -2.508000 2.154000 
1 1 1  -64   14   22 o   2.6070   0.8788   2.6870   1.2710   2.5270   1.2140 0.1600000 1.758000 
1 1 1  -64   14   23 o   2.2300   1.1480   2.2300   1.1480  ?   ?       ?      ? 
1 1 1  -64   16    1 o   5.1270   0.9808   3.5510   1.4440   6.7030   1.3270 -3.152000 1.962000 
1 1 1  -64   16    2 o   3.7100   1.1050   3.8900   1.5920   3.5300   1.5320 0.3603000 2.209000 
1 1 1  -64   16    3 o   3.4650   1.1680   4.6140   2.0400   2.3150   1.1390 2.299000 2.337000 
1 1 1  -64   16    4 o   3.6780   1.2530   3.1420   1.5570   4.2150   1.9640 -1.073000 2.506000 
1 1 1  -64   16    5 o   4.2840   1.3790   4.5550   2.0200   4.0120   1.8780 0.5431000 2.758000 
1 1 1  -64   16    6 o   4.0020   1.3170   3.9230   1.8320   4.0800   1.8920 -0.1572000 2.634000 
1 1 1  -64   16    7 o   4.1140   1.3350   4.4080   1.9600   3.8190   1.8120 0.5886000 2.669000 
1 1 1  -64   16    8 o   3.5600   1.2130   3.3320   1.6240   3.7880   1.8010 -0.4558000 2.425000 
1 1 1  -64   16    9 o   4.0550   1.3190   4.0720   1.8590   4.0380   1.8730 0.3430000E-01 2.639000 
1 1 1  -64   16   10 o   10.300   1.2770   8.3560   2.0550   12.240   1.5180 -3.883000 2.555000 
1 1 1  -64   16   11 o   7.6190   1.4970   7.9000   2.0550   7.3370   2.1760 0.5630000 2.993000 
1 1 1  -64   16   12 o   7.6000   1.4690   7.2770   2.0490   7.9220   2.1050 -0.6449000 2.937000 
1 1 1  -64   16   13 o   3.4980   1.1770   3.3010   1.5830   3.6940   1.7430 -0.3925000 2.355000 
1 1 1  -64   16   14 f   6.2730   1.2060   5.4580   2.0670   7.0880   1.2430 -1.629000 2.412000 
1 1 1  -64   16   15 o   10.840   0.5143   10.760   0.7818   10.910   0.6685 -0.1517000 1.029000 
1 1 1  -64   16   16 o   4.1680   0.8884   5.6860   1.2890   2.6500   1.2230 3.035000 1.777000 
1 1 1  -64   16   17 o   4.7380   1.0480   4.3590   1.4750   5.1170   1.4880 -0.7585000 2.096000 
1 1 1  -64   16   18 o   9.3540   0.8419   9.6900   1.1040   9.0180   1.2720 0.6717000 1.684000 
1 1 1  -64   16   19 o   3.4720   1.0680   4.0030   1.6610   2.9410   1.3420 1.063000 2.135000 
1 1 1  -64   16   20 f   5.4840   1.0890   5.9480   1.4920   5.0190   1.5880 0.9288000 2.179000 
1 1 1  -64   16   21 o   1.9640   1.0160  ?   ?    1.9640   1.0160      ?      ? 
1 1 1  -64   18    1 o   4.2850   1.1720   4.1600   1.5810   4.4090   1.7310 -0.2486000 2.344000 
1 1 1  -64   18    2 o   6.1430   1.0770   7.0830   1.2510   5.2030   1.7540 1.880000 2.154000 
1 1 1  -64   18    3 o   8.3540   0.7031   7.9760   0.9951   8.7320   0.9934 -0.7568000 1.406000 
1 1 1  -64   18    4 o   4.2790   1.0080   3.4580   1.3720   5.1000   1.4780 -1.642000 2.017000 
1 1 1  -64   18    5 o   7.9420   0.8148   7.6800   1.3270   8.2050   0.9453 -0.5247000 1.630000 
1 1 1  -64   18    6 o   4.9670   1.0280   6.5120   1.4100   3.4210   1.4970 3.090000 2.056000 
1 1 1  -64   18    7 f   3.3480   1.0220   2.5860   1.3090   4.1090   1.5690 -1.523000 2.043000 
1 1 1  -64   18    8 o   7.0090   1.1860   5.3840   2.1360   8.6340   1.0320 -3.250000 2.372000 
1 1 1  -64   18    9 o   5.1560   1.3180   6.5690   2.1700   3.7430   1.4940 2.826000 2.635000 
1 1 1  -64   18   10 o   4.1180   1.2300   4.2850   1.9100   3.9520   1.5510 0.3332000 2.461000 
1 1 1  -64   18   11 o   5.9130   0.9792   7.4020   1.1010   4.4230   1.6200 2.979000 1.958000 
1 1 1  -64   18   12 o   8.2070   0.6947   8.0560   1.0950   8.3580   0.8556 -0.3019000 1.389000 
1 1 1  -64   18   13 o   9.7290   0.5318   10.230   0.6831   9.2310   0.8152 0.9967000 1.064000 
1 1 1  -64   18   14 o   4.1910   0.9980   4.7840   1.4170   3.5980   1.4050 1.185000 1.996000 
1 1 1  -64   18   15 o   5.2670   0.9218   6.8450   1.1480   3.6890   1.4420 3.156000 1.844000 
1 1 1  -64   18   16 o   2.9700   0.9317   3.5050   1.4310   2.4360   1.1940 1.069000 1.863000 
1 1 1  -64   18   17 o   2.7360   0.9160   2.0950   1.0560   3.3770   1.4970 -1.283000 1.832000 
1 1 1  -64   18   18 o   2.5940   0.9043   2.8900   1.3930   2.2970   1.1530 0.5921000 1.809000 
1 1 1  -64   20    1 o   3.5790   1.1060   3.9940   1.6890   3.1650   1.4270 0.8289000 2.211000 
1 1 1  -64   20    2 o   3.0820   1.0090   3.4070   1.5140   2.7560   1.3340 0.6506000 2.018000 
1 1 1  -64   20    3 o   2.4780   0.8613   2.5140   1.2260   2.4410   1.2100 0.7319000E-01 1.723000 
1 1 1  -64   20    4 o   3.9940   1.0960   4.3800   1.5240   3.6070   1.5760 0.7727000 2.192000 
1 1 1  -64   20    5 o   7.1820   0.8847   9.4660   0.8721   4.8990   1.5400 4.567000 1.769000 
1 1 1  -64   20    6 o   6.1310   0.9583   5.3680   1.4620   6.8940   1.2390 -1.527000 1.917000 
1 1 1  -64   20    7 o   6.3250   0.9152   8.0880   0.9799   4.5630   1.5460 3.525000 1.830000 
1 1 1  -64   20    8 o   3.0400   0.9337   2.7150   1.2420   3.3650   1.3940 -0.6493000 1.867000 
1 1 1  -64   20    9 o   4.0270   0.9012   5.4120   1.3270   2.6410   1.2200 2.771000 1.802000 
1 1 1  -64   20   10 o   3.0070   0.9230   2.9750   1.2910   3.0400   1.3190 -0.6500000E-01 1.846000 
1 1 1  -64   20   11 o   2.2360   0.7639   2.5010   1.1720   1.9720   0.9803 0.5281000 1.528000 
1 1 1  -64   20   12 o   2.2480   0.7694   2.1520   1.0530   2.3440   1.1220 -0.1917000 1.539000 
1 1 1  -64   20   13 o   2.6720   0.8851   2.8890   1.3020   2.4550   1.1990 0.4339000 1.770000 
1 1 1  -64   20   14 o   2.3540   1.2160   2.3540   1.2160  ?   ?       ?      ? 
1 1 1  -63    1    1 o   5.9320   0.9556   7.0770   1.2030   4.7870   1.4850 2.290000 1.911000 
1 1 1  -63    1    2 o   9.5150   0.6648   9.2310   1.0320   9.7980   0.8380 -0.5677000 1.330000 
1 1 1  -63    1    3 o   13.220   0.4660   13.430   0.6973   13.010   0.6184 0.4268000 0.9320000 
1 1 1  -63    1    4 o   4.4010   1.0330   3.7610   1.4950   5.0410   1.4250 -1.280000 2.065000 
1 1 1  -63    1    5 o   7.6760   0.6402   6.9440   1.0190   8.4080   0.7757 -1.463000 1.280000 
1 1 1  -63    1    6 o   5.0390   0.8803   4.9540   1.2700   5.1230   1.2190 -0.1687000 1.761000 
1 1 1  -63    1    7 o   11.150   0.4687   10.580   0.7733   11.720   0.5298 -1.146000 0.9374000 
1 1 1  -63    1    8 o   14.580   0.3620   15.370   0.5558   13.790   0.4639 1.576000 0.7240000 
1 1 1  -63    1    9 o   15.130   0.3038   14.870   0.4382   15.380   0.4210 -0.5126000 0.6077000 
1 1 1  -63    1   10 o   12.600   0.3589   12.690   0.5178   12.510   0.4970 0.1757000 0.7177000 
1 1 1  -63    1   11 o   7.5680   0.6249   8.0830   0.8522   7.0530   0.9142 1.030000 1.250000 
1 1 1  -63    1   12 o   13.100   0.3774   13.250   0.5382   12.960   0.5293 0.2810000 0.7548000 
1 1 1  -63    1   13 o   10.330   0.4853   9.6040   0.7434   11.050   0.6239 -1.450000 0.9705000 
1 1 1  -63    1   14 o   12.390   0.3951   11.870   0.5901   12.900   0.5255 -1.029000 0.7902000 
1 1 1  -63    1   15 o   17.900   0.3469   17.630   0.5061   18.160   0.4746 -0.5252000 0.6938000 
1 1 1  -63    1   16 f   18.910   0.3475   18.490   0.5071   19.330   0.4751 -0.8370000 0.6949000 
1 1 1  -63    1   17 o   11.790   0.4496   11.920   0.6314   11.670   0.6402 0.2443000 0.8991000 
1 1 1  -63    1   18 o   5.7210   0.9521   4.8470   1.4580   6.5950   1.2240 -1.748000 1.904000 
1 1 1  -63    1   19 o   18.020   0.3569   17.710   0.5136   18.320   0.4957 -0.6112000 0.7138000 
1 1 1  -63    1   20 o   6.1940   0.9971   6.6160   1.3460   5.7730   1.4710 0.8431000 1.994000 
1 1 1  -63    1   21 f   10.030   0.6489   8.9610   0.9974   11.110   0.8304 -2.145000 1.298000 
1 1 1  -63    1   22 f   3.2210   1.0080   3.1270   1.4000   3.3150   1.4490 -0.1880000 2.015000 
1 1 1  -63    1   23 o   9.1630   0.8602   8.9540   1.3000   9.3730   1.1260 -0.4192000 1.720000 
1 1 1  -63    1   24 o   11.150   0.8217   11.670   0.9983   10.630   1.3050 1.044000 1.643000 
1 1 1  -63    1   25 o   4.5940   1.2190   5.0420   1.7410   4.1450   1.7070 0.8967000 2.439000 
1 1 1  -63    1   26 o   4.1770   1.1330   4.8320   1.6760   3.5220   1.5240 1.310000 2.266000 
1 1 1  -63    1   27 o   8.0130   0.9136   7.8520   1.3210   8.1750   1.2620 -0.3236000 1.827000 
1 1 1  -63    1   28 o   4.6440   1.2390   4.1700   1.7180   5.1170   1.7870 -0.9473000 2.479000 
1 1 1  -63    3    1 o   8.5560   0.6104   8.2310   0.9483   8.8810   0.7690 -0.6502000 1.221000 
1 1 1  -63    3    2 o   14.490   0.3784   14.170   0.5991   14.800   0.4625 -0.6350000 0.7568000 
1 1 1  -63    3    3 o   14.680   0.3710   14.520   0.5442   14.840   0.5044 -0.3162000 0.7420000 
1 1 1  -63    3    4 f   5.0600   1.1030   5.4790   1.8450   4.6410   1.2070 0.8382000 2.205000 
1 1 1  -63    3    5 o   6.1970   1.1930   8.1240   1.4960   4.2710   1.8570 3.853000 2.385000 
1 1 1  -63    3    6 o   6.2270   1.2470   7.4750   1.5470   4.9790   1.9560 2.495000 2.494000 
1 1 1  -63    3    7 o   11.670   0.8011   12.540   0.9237   10.800   1.3090 1.737000 1.602000 
1 1 1  -63    3    8 o   7.2500   1.2140   6.9170   1.6100   7.5840   1.8160 -0.6671000 2.427000 
1 1 1  -63    3    9 o   7.9650   1.1030   9.9650   1.1380   5.9650   1.8900 4.000000 2.206000 
1 1 1  -63    3   10 o   7.3290   1.2060   8.6440   1.2800   6.0140   2.0440 2.630000 2.411000 
1 1 1  -63    3   11 o   3.2340   1.0440   2.9740   1.3910   3.4940   1.5580 -0.5203000 2.088000 
1 1 1  -63    3   12 o   11.230   0.4477   11.230   0.5458   11.230   0.7099 0.2278000E-02 0.8954000 
1 1 1  -63    3   13 o   3.7420   0.8677   5.1400   1.3570   2.3430   1.0810 2.797000 1.735000 
1 1 1  -63    3   14 o   15.900   0.3175   16.140   0.4574   15.660   0.4404 0.4828000 0.6349000 
1 1 1  -63    3   15 o   7.4110   0.6842   6.7710   1.0780   8.0520   0.8427 -1.281000 1.368000 
1 1 1  -63    3   16 o   6.8180   0.7861   6.0260   1.2480   7.6090   0.9557 -1.583000 1.572000 
1 1 1  -63    3   17 f   3.6890   1.0620   3.5130   1.4940   3.8650   1.5110 -0.3521000 2.125000 
1 1 1  -63    3   18 o   14.530   0.4745   14.090   0.7170   14.970   0.6218 -0.8872000 0.9491000 
1 1 1  -63    3   19 o   12.960   0.4670   13.180   0.6569   12.740   0.6639 0.4445000 0.9340000 
1 1 1  -63    3   20 o   6.9110   0.9069   6.8590   1.2850   6.9620   1.2800 -0.1033000 1.814000 
1 1 1  -63    3   21 o   6.0940   1.0830   7.6200   1.4700   4.5690   1.5900 3.052000 2.165000 
1 1 1  -63    3   22 o   5.7670   1.2310   5.6900   1.7930   5.8430   1.6870 -0.1527000 2.462000 
1 1 1  -63    3   23 o   6.9950   0.9994   7.1390   1.3660   6.8520   1.4600 0.2870000 1.999000 
1 1 1  -63    3   24 o   18.260   0.4048   18.220   0.5733   18.300   0.5718 -0.7378000E-01 0.8097000 
1 1 1  -63    3   25 o   7.4990   1.0250   8.9260   1.1060   6.0720   1.7270 2.854000 2.051000 
1 1 1  -63    3   26 f   9.8800   0.7912   10.220   1.0560   9.5410   1.1780 0.6795000 1.582000 
1 1 1  -63    3   27 o   3.5120   1.0970   4.0820   1.6880   2.9420   1.4000 1.139000 2.193000 
1 1 1  -63    3   28 o   7.7970   1.0290   9.5770   1.0460   6.0170   1.7720 3.560000 2.058000 
1 1 1  -63    5    1 o   9.9880   0.5404   9.5080   0.8284   10.470   0.6943 -0.9595000 1.081000 
1 1 1  -63    5    2 o   7.9430   1.3770   7.4560   1.8350   8.4300   2.0530 -0.9734000 2.754000 
1 1 1  -63    5    3 o   13.920   0.8736   15.380   0.9539   12.460   1.4640 2.924000 1.747000 
1 1 1  -63    5    4 o   13.120   0.8357   11.760   1.1780   14.480   1.1860 -2.715000 1.671000 
1 1 1  -63    5    5 o   8.6250   1.2030   6.1480   1.9140   11.100   1.4580 -4.954000 2.406000 
1 1 1  -63    5    6 o   13.810   0.7990   14.770   0.9340   12.850   1.2970 1.914000 1.598000 
1 1 1  -63    5    7 o   27.510   0.4697   27.720   0.6147   27.290   0.7104 0.4224000 0.9394000 
1 1 1  -63    5    8 o   15.580   0.6533   15.280   0.8645   15.890   0.9797 -0.6155000 1.307000 
1 1 1  -63    5    9 o   7.7350   1.2550   7.0470   1.7340   8.4230   1.8150 -1.376000 2.510000 
1 1 1  -63    5   10 o   10.780   0.8879   12.280   1.0250   9.2780   1.4500 2.998000 1.776000 
1 1 1  -63    5   11 f   18.320   0.5214   18.340   0.7346   18.300   0.7400 0.3332000E-01 1.043000 
1 1 1  -63    5   12 o   5.7630   1.2870   6.3040   1.7880   5.2210   1.8500 1.083000 2.573000 
1 1 1  -63    5   13 o   14.050   0.6265   14.430   0.8536   13.670   0.9174 0.7664000 1.253000 
1 1 1  -63    5   14 o   7.2580   1.0020   6.3180   1.7600   8.1990   0.9576 -1.881000 2.003000 
1 1 1  -63    5   15 o   6.8790   0.7765   6.0130   1.2790   7.7450   0.8816 -1.732000 1.553000 
1 1 1  -63    5   16 o   2.8670   0.9019   2.7900   1.2530   2.9440   1.2970 -0.1540000 1.804000 
1 1 1  -63    5   17 o   10.900   0.5170   11.660   0.6686   10.130   0.7888 1.529000 1.034000 
1 1 1  -63    5   18 o   2.9130   0.9395   2.8790   1.2930   2.9470   1.3630 -0.6822000E-01 1.879000 
1 1 1  -63    5   19 o   4.2100   1.2270   4.1510   1.8180   4.2700   1.6500 -0.1193000 2.455000 
1 1 1  -63    5   20 o   13.910   0.5326   14.390   0.7631   13.430   0.7433 0.9579000 1.065000 
1 1 1  -63    5   21 o   4.4550   1.1240   4.3860   1.5990   4.5240   1.5810 -0.1378000 2.249000 
1 1 1  -63    5   22 o   12.560   0.5349   13.250   0.6984   11.870   0.8104 1.373000 1.070000 
1 1 1  -63    5   23 o   3.7440   1.0870   3.7600   1.5240   3.7290   1.5500 0.3102000E-01 2.174000 
1 1 1  -63    5   24 o   10.210   0.6706   9.5160   0.9885   10.900   0.9064 -1.388000 1.341000 
1 1 1  -63    5   25 o   5.1580   1.1450   4.7830   1.6170   5.5340   1.6220 -0.7512000 2.291000 
1 1 1  -63    5   26 o   3.9910   1.2120   3.8150   1.6640   4.1670   1.7640 -0.3523000 2.425000 
1 1 1  -63    5   27 o   6.4320   1.1060   5.9350   1.6920   6.9290   1.4260 -0.9933000 2.213000 
1 1 1  -63    5   28 o   8.8850   0.8356   8.7090   1.2700   9.0610   1.0860 -0.3516000 1.671000 
1 1 1  -63    7    1 o   9.7000   1.2770   7.9230   1.8720   11.480   1.7370 -3.554000 2.554000 
1 1 1  -63    7    2 o   8.9290   1.3580   9.4280   1.5970   8.4300   2.1960 0.9976000 2.715000 
1 1 1  -63    7    3 o   4.2160   1.3330   4.0820   1.8010   4.3500   1.9660 -0.2679000 2.666000 
1 1 1  -63    7    4 o   6.7120   1.4060   8.2050   1.8220   5.2200   2.1420 2.985000 2.812000 
1 1 1  -63    7    5 o   9.2340   1.2850   11.540   1.3050   6.9290   2.2130 4.611000 2.569000 
1 1 1  -63    7    6 o   15.400   0.7426   16.420   0.9077   14.380   1.1760 2.045000 1.485000 
1 1 1  -63    7    7 o   15.670   0.7125   16.160   0.8911   15.170   1.1120 0.9889000 1.425000 
1 1 1  -63    7    8 f   5.1250   1.3850   3.9990   1.7520   6.2500   2.1450 -2.251000 2.770000 
1 1 1  -63    7    9 f   3.8940   1.2560   4.0220   1.7480   3.7670   1.8050 0.2555000 2.513000 
1 1 1  -63    7   10 o   9.7060   1.0500   10.190   1.3450   9.2240   1.6120 0.9652000 2.099000 
1 1 1  -63    7   11 o   12.900   0.7575   13.220   1.0160   12.580   1.1240 0.6381000 1.515000 
1 1 1  -63    7   12 o   8.4000   1.1400   6.9630   1.7800   9.8380   1.4260 -2.875000 2.281000 
1 1 1  -63    7   13 o   5.8910   1.3040   4.7210   1.8190   7.0620   1.8690 -2.341000 2.608000 
1 1 1  -63    7   14 o   10.370   0.9388   11.680   1.0900   9.0550   1.5290 2.624000 1.878000 
1 1 1  -63    7   15 o   4.3510   1.1200   4.0100   1.7210   4.6920   1.4320 -0.6822000 2.239000 
1 1 1  -63    7   16 o   3.6730   1.0490   3.7100   1.5200   3.6360   1.4460 0.7440000E-01 2.098000 
1 1 1  -63    7   17 o   3.4330   1.0170   3.9480   1.5310   2.9180   1.3400 1.030000 2.035000 
1 1 1  -63    7   18 o   4.4450   1.1060   4.2060   1.5090   4.6850   1.6180 -0.4784000 2.213000 
1 1 1  -63    7   19 o   7.3110   1.0600   7.9430   1.4190   6.6790   1.5760 1.264000 2.121000 
1 1 1  -63    7   20 o   3.9120   1.0410   3.0960   1.3710   4.7270   1.5660 -1.631000 2.081000 
1 1 1  -63    7   21 o   8.2730   0.8422   6.7040   1.3900   9.8410   0.9506 -3.137000 1.684000 
1 1 1  -63    7   22 o   18.220   0.3987   18.190   0.5596   18.250   0.5680 -0.6569000E-01 0.7973000 
1 1 1  -63    7   23 o   14.120   0.4948   14.030   0.6824   14.220   0.7167 -0.1906000 0.9896000 
1 1 1  -63    7   24 o   6.5050   1.1480   6.7340   1.5490   6.2750   1.6960 0.4592000 2.297000 
1 1 1  -63    7   25 o   3.2100   1.0080   2.7610   1.3010   3.6590   1.5380 -0.8976000 2.015000 
1 1 1  -63    7   26 o   5.2900   1.1630   5.9270   1.5430   4.6540   1.7410 1.274000 2.327000 
1 1 1  -63    7   27 o   2.3370   0.8195   2.5510   1.2420   2.1230   1.0690 0.4278000 1.639000 
1 1 1  -63    9    1 o   6.0010   1.7610   6.1340   2.4570   5.8680   2.5250 0.2658000 3.523000 
1 1 1  -63    9    2 f   8.2120   1.8060   10.180   2.4340   6.2450   2.6680 3.933000 3.611000 
1 1 1  -63    9    3 o   14.290   1.3780   14.890   1.6110   13.690   2.2370 1.201000 2.757000 
1 1 1  -63    9    4 o   7.4650   1.8310   6.1870   2.4370   8.7420   2.7330 -2.555000 3.662000 
1 1 1  -63    9    5 o   4.8400   1.5460   5.4860   2.3280   4.1940   2.0340 1.292000 3.092000 
1 1 1  -63    9    6 o   6.9010   1.7990   7.7750   2.4940   6.0270   2.5930 1.748000 3.597000 
1 1 1  -63    9    7 o   12.900   1.5130   14.030   1.7090   11.770   2.4960 2.262000 3.025000 
1 1 1  -63    9    8 o   7.2790   1.8200   8.2180   2.5160   6.3400   2.6300 1.878000 3.640000 
1 1 1  -63    9    9 o   6.1980   1.7340   6.1600   2.4770   6.2360   2.4260 -0.7603000E-01 3.467000 
1 1 1  -63    9   10 o   6.3490   1.5710   4.4890   2.0930   8.2090   2.3430 -3.720000 3.141000 
1 1 1  -63    9   11 o   10.440   1.5280   11.430   2.1000   9.4550   2.2190 1.979000 3.055000 
1 1 1  -63    9   12 o   4.4500   1.4510   4.1370   1.9720   4.7640   2.1300 -0.6270000 2.903000 
1 1 1  -63    9   13 o   9.1270   1.6970   8.6760   2.4900   9.5790   2.3060 -0.9037000 3.394000 
1 1 1  -63    9   14 o   4.0320   1.3220   2.8980   1.4190   5.1670   2.2300 -2.269000 2.643000 
1 1 1  -63    9   15 o   4.1370   1.2430   4.8110   1.8910   3.4630   1.6150 1.348000 2.486000 
1 1 1  -63    9   16 f   6.2950   1.0970   4.7020   1.9050   7.8880   1.0890 -3.186000 2.194000 
1 1 1  -63    9   17 o   5.0110   1.0040   4.8160   1.4160   5.2050   1.4250 -0.3896000 2.008000 
1 1 1  -63    9   18 o   7.7920   0.7768   8.3750   0.9721   7.2080   1.2120 1.167000 1.554000 
1 1 1  -63    9   19 o   12.010   0.5145   12.250   0.6906   11.780   0.7629 0.4671000 1.029000 
1 1 1  -63    9   20 o   7.0870   1.1170   5.3100   1.7950   8.8640   1.3280 -3.554000 2.233000 
1 1 1  -63    9   21 o   6.1030   1.1060   7.1170   1.4360   5.0900   1.6820 2.027000 2.212000 
1 1 1  -63    9   22 o   6.4960   1.1170   6.3190   1.5800   6.6730   1.5800 -0.3537000 2.235000 
1 1 1  -63    9   23 o   3.2580   1.0120   3.6010   1.5030   2.9150   1.3540 0.6863000 2.023000 
1 1 1  -63    9   24 o   4.1150   1.1240   3.7650   1.5480   4.4650   1.6290 -0.6994000 2.247000 
1 1 1  -63    9   25 o   5.0400   1.0430   3.3700   1.4730   6.7090   1.4780 -3.339000 2.087000 
1 1 1  -63    9   26 f   8.3000   0.8380   8.1380   1.2090   8.4630   1.1610 -0.3247000 1.676000 
1 1 1  -63   11    1 o   4.1070   1.3360   4.1420   1.8740   4.0720   1.9050 0.6979000E-01 2.672000 
1 1 1  -63   11    2 o   5.7470   1.4420   7.2980   2.1270   4.1970   1.9480 3.102000 2.884000 
1 1 1  -63   11    3 o   7.1380   1.5830   6.5840   2.1580   7.6920   2.3170 -1.109000 3.167000 
1 1 1  -63   11    4 f   3.6700   1.7690  ?   ?    3.6700   1.7690      ?      ? 
1 1 1  -63   11    5 o   5.5790   1.5340   5.3190   2.0610   5.8400   2.2740 -0.5207000 3.069000 
1 1 1  -63   11    6 o   5.6370   1.3990   7.2490   2.0870   4.0250   1.8640 3.224000 2.798000 
1 1 1  -63   11    7 o   8.4730   1.4160   9.7070   1.6670   7.2390   2.2890 2.468000 2.832000 
1 1 1  -63   11    8 o   12.080   1.2580   12.730   1.2430   11.420   2.1870 1.308000 2.516000 
1 1 1  -63   11    9 o   21.020   0.5987   20.970   0.8273   21.080   0.8658 -0.1104000 1.197000 
1 1 1  -63   11   10 o   16.190   0.6838   15.840   0.9557   16.540   0.9783 -0.7000000 1.368000 
1 1 1  -63   11   11 o   4.4830   1.3160   5.2070   1.9750   3.7580   1.7400 1.449000 2.632000 
1 1 1  -63   11   12 o   5.4120   1.4350   5.7060   2.0290   5.1170   2.0290 0.5892000 2.870000 
1 1 1  -63   11   13 o   12.690   0.8662   12.310   1.2320   13.080   1.2180 -0.7692000 1.732000 
1 1 1  -63   11   14 o   5.6620   1.4260   5.1660   1.9720   6.1590   2.0590 -0.9928000 2.851000 
1 1 1  -63   11   15 f   4.1720   1.2950   4.2910   1.8430   4.0540   1.8210 0.2370000 2.591000 
1 1 1  -63   11   16 o   7.7630   1.0970   6.5590   1.9770   8.9660   0.9523 -2.407000 2.194000 
1 1 1  -63   11   17 f   3.2650   0.9825   3.4060   1.4290   3.1240   1.3480 0.2825000 1.965000 
1 1 1  -63   11   18 o   7.2840   0.8941   8.0290   1.0640   6.5390   1.4370 1.490000 1.788000 
1 1 1  -63   11   19 o   4.5110   1.1380   4.1040   1.5440   4.9190   1.6710 -0.8150000 2.275000 
1 1 1  -63   11   20 o   7.7740   1.0930   7.7720   1.5170   7.7760   1.5740 -0.3421000E-02 2.186000 
1 1 1  -63   11   21 o   6.3930   1.0170   6.9170   1.3620   5.8680   1.5100 1.050000 2.034000 
1 1 1  -63   11   22 o   2.9760   0.9658   2.8500   1.3270   3.1020   1.4040 -0.2518000 1.932000 
1 1 1  -63   11   23 o   11.700   0.5953   11.930   0.8225   11.480   0.8607 0.4471000 1.191000 
1 1 1  -63   11   24 o   10.020   0.6806   9.5480   0.9779   10.500   0.9469 -0.9519000 1.361000 
1 1 1  -63   11   25 o   2.8620   0.9381   2.5600   1.2270   3.1650   1.4190 -0.6057000 1.876000 
1 1 1  -63   13    1 o   6.7210   1.1530   4.2160   2.0130   9.2260   1.1240 -5.010000 2.305000 
1 1 1  -63   13    2 f   10.660   1.6950   13.770   1.8040   7.5520   2.8700 6.215000 3.391000 
1 1 1  -63   13    3 o   11.470   1.1940   11.120   1.6160   11.810   1.7570 -0.6870000 2.387000 
1 1 1  -63   13    4 o   6.1970   1.6100   6.4840   2.2080   5.9100   2.3430 0.5742000 3.220000 
1 1 1  -63   13    5 o   5.5560   1.4830   6.6210   2.1580   4.4910   2.0350 2.130000 2.967000 
1 1 1  -63   13    6 o   6.4380   1.5840   5.5840   2.1340   7.2930   2.3410 -1.709000 3.168000 
1 1 1  -63   13    7 o   8.9530   1.4270   10.350   1.6310   7.5550   2.3410 2.796000 2.853000 
1 1 1  -63   13    8 o   6.8330   1.4060   9.1650   1.8440   4.5000   2.1230 4.665000 2.812000 
1 1 1  -63   13    9 o   11.210   1.1510   13.290   1.2380   9.1330   1.9400 4.161000 2.301000 
1 1 1  -63   13   10 o   10.720   1.0820   9.9490   1.6020   11.490   1.4560 -1.537000 2.165000 
1 1 1  -63   13   11 o   7.8900   1.3850   8.6580   1.7870   7.1220   2.1170 1.537000 2.770000 
1 1 1  -63   13   12 o   9.6450   1.4560   12.740   1.5260   6.5500   2.4810 6.190000 2.913000 
1 1 1  -63   13   13 o   4.6110   1.4300   5.5470   2.2220   3.6750   1.7990 1.872000 2.859000 
1 1 1  -63   13   14 o   3.9240   1.3100   4.2230   1.9290   3.6250   1.7740 0.5974000 2.620000 
1 1 1  -63   13   15 o   5.1470   1.5370   4.1430   1.8950   6.1510   2.4200 -2.007000 3.073000 
1 1 1  -63   13   16 o   3.9000   1.0240   2.9420   1.3160   4.8590   1.5680 -1.917000 2.047000 
1 1 1  -63   13   17 o   4.8340   1.0070   5.4370   1.3670   4.2320   1.4780 1.205000 2.013000 
1 1 1  -63   13   18 o   2.6600   0.8770   2.4790   1.1720   2.8410   1.3050 -0.3615000 1.754000 
1 1 1  -63   13   19 o   3.0800   1.0270   3.2170   1.4990   2.9430   1.4030 0.2741000 2.053000 
1 1 1  -63   13   20 o   5.0440   1.1970   5.8980   1.7910   4.1900   1.5900 1.708000 2.395000 
1 1 1  -63   13   21 o   4.0900   1.0480   5.1750   1.5810   3.0050   1.3760 2.170000 2.096000 
1 1 1  -63   13   22 o   2.5490   0.8688   2.6540   1.2650   2.4440   1.1920 0.2099000 1.738000 
1 1 1  -63   13   23 f   2.1520   0.7601   1.9350   0.9794   2.3690   1.1630 -0.4335000 1.520000 
1 1 1  -63   13   24 o   3.2830   1.0150   3.7240   1.5360   2.8420   1.3260 0.8819000 2.029000 
1 1 1  -63   15    1 o   11.950   0.4984   11.540   0.6662   12.370   0.7414 -0.8300000 0.9967000 
1 1 1  -63   15    2 o   5.5180   1.1660   7.1070   1.4150   3.9280   1.8550 3.178000 2.333000 
1 1 1  -63   15    3 o   13.500   1.0050   13.240   1.3850   13.770   1.4570 -0.5312000 2.010000 
1 1 1  -63   15    4 o   8.6320   1.6890   9.3720   1.9770   7.8920   2.7400 1.480000 3.379000 
1 1 1  -63   15    5 o   11.230   1.1960   11.810   1.5490   10.640   1.8230 1.166000 2.392000 
1 1 1  -63   15    6 o   11.040   1.2010   10.300   1.7780   11.790   1.6150 -1.492000 2.402000 
1 1 1  -63   15    7 o   8.6610   1.3720   10.930   1.5700   6.3930   2.2500 4.536000 2.744000 
1 1 1  -63   15    8 o   10.520   1.2260   11.150   1.5530   9.8840   1.8980 1.267000 2.452000 
1 1 1  -63   15    9 o   4.5310   1.3560   5.4610   2.0960   3.6010   1.7210 1.860000 2.712000 
1 1 1  -63   15   10 o   13.020   0.9396   12.100   1.3780   13.940   1.2770 -1.839000 1.879000 
1 1 1  -63   15   11 o   10.180   1.1690   10.450   1.5200   9.9040   1.7770 0.5418000 2.339000 
1 1 1  -63   15   12 o   6.4150   1.4570   7.4470   2.0080   5.3830   2.1130 2.064000 2.915000 
1 1 1  -63   15   13 o   7.5150   1.4100   8.6010   1.8220   6.4280   2.1520 2.173000 2.820000 
1 1 1  -63   15   14 o   6.1780   1.1400   4.9820   1.9980   7.3740   1.0990 -2.392000 2.280000 
1 1 1  -63   15   15 o   6.3840   0.9541   6.6370   1.1980   6.1320   1.4850 0.5049000 1.908000 
1 1 1  -63   15   16 o   7.0670   0.8225   8.7320   0.8220   5.4030   1.4250 3.329000 1.645000 
1 1 1  -63   15   17 o   8.5850   0.6839   9.0730   0.8561   8.0960   1.0670 0.9771000 1.368000 
1 1 1  -63   15   18 o   7.4150   1.0060   7.7260   1.0940   7.1040   1.6890 0.6220000 2.012000 
1 1 1  -63   15   19 o   5.7520   1.2730   5.5760   1.7810   5.9280   1.8180 -0.3517000 2.545000 
1 1 1  -63   15   20 o   4.7480   1.1700   4.6420   1.6860   4.8550   1.6230 -0.2127000 2.340000 
1 1 1  -63   15   21 o   3.5850   1.0050   2.4910   1.2030   4.6790   1.6100 -2.188000 2.010000 
1 1 1  -63   15   22 f   2.7430   0.9100   3.1770   1.4210   2.3100   1.1370 0.8674000 1.820000 
1 1 1  -63   17    1 o   7.9630   0.8635   9.4120   0.8975   6.5140   1.4760 2.898000 1.727000 
1 1 1  -63   17    2 o   7.3820   0.9690   8.2080   0.9403   6.5560   1.6950 1.652000 1.938000 
1 1 1  -63   17    3 o   4.0840   1.0320   4.3110   1.4070   3.8570   1.5100 0.4543000 2.064000 
1 1 1  -63   17    4 o   4.7470   1.0570   4.1400   1.6120   5.3540   1.3680 -1.214000 2.114000 
1 1 1  -63   17    5 o   6.1780   1.3660   6.1150   2.2520   6.2400   1.5450 -0.1252000 2.731000 
1 1 1  -63   17    6 o   6.4790   1.0890   4.2890   1.9410   8.6700   0.9875 -4.381000 2.178000 
1 1 1  -63   17    7 o   8.3870   1.6670   9.3540   1.9610   7.4200   2.6950 1.934000 3.333000 
1 1 1  -63   17    8 o   12.670   1.0860   13.210   1.4130   12.130   1.6500 1.076000 2.172000 
1 1 1  -63   17    9 o   4.4580   1.3830   5.0210   2.0680   3.8950   1.8350 1.126000 2.765000 
1 1 1  -63   17   10 o   6.0820   1.5500   5.2510   2.1060   6.9120   2.2760 -1.660000 3.101000 
1 1 1  -63   17   11 o   4.1530   1.1760   3.7940   1.7640   4.5120   1.5570 -0.7173000 2.353000 
1 1 1  -63   17   12 o   4.3250   0.9877   5.3430   1.3440   3.3060   1.4480 2.037000 1.975000 
1 1 1  -63   17   13 o   4.0040   1.0080   3.3670   1.4110   4.6420   1.4410 -1.275000 2.016000 
1 1 1  -63   17   14 o   5.8100   0.9262   5.7520   1.2240   5.8680   1.3910 -0.1161000 1.852000 
1 1 1  -63   17   15 o   3.3550   0.9613   3.8340   1.4150   2.8760   1.3020 0.9583000 1.923000 
1 1 1  -63   17   16 f   4.9430   1.0610   4.8110   1.4730   5.0750   1.5270 -0.2645000 2.122000 
1 1 1  -63   17   17 f   4.3690   1.1320   5.5340   1.7180   3.2040   1.4740 2.329000 2.264000 
1 1 1  -63   17   18 o   2.8400   0.9466   3.1180   1.4440   2.5620   1.2240 0.5555000 1.893000 
1 1 1  -63   17   19 o   2.2270   0.7771   2.5810   1.2310   1.8740   0.9486 0.7077000 1.554000 
1 1 1  -63   17   20 o   2.1210   0.7467   2.0890   1.0430   2.1540   1.0690 -0.6467000E-01 1.493000 
1 1 1  -63   19    1 o   3.2330   1.0570   3.4480   1.5360   3.0180   1.4520 0.4306000 2.114000 
1 1 1  -63   19    2 o   3.0160   1.0020   3.1150   1.4380   2.9180   1.3950 0.1962000 2.004000 
1 1 1  -63   19    3 o   3.7010   1.0590   3.2720   1.4070   4.1300   1.5830 -0.8576000 2.118000 
1 1 1  -63   19    4 o   3.3640   0.9988   3.6310   1.4420   3.0970   1.3820 0.5344000 1.998000 
1 1 1  -63   19    5 o   5.5650   1.0070   6.1510   1.2830   4.9790   1.5540 1.172000 2.015000 
1 1 1  -63   19    6 o   9.9380   0.6036   11.140   0.6968   8.7380   0.9858 2.399000 1.207000 
1 1 1  -63   19    7 o   4.9000   1.0270   5.2240   1.3840   4.5750   1.5190 0.6491000 2.055000 
1 1 1  -63   19    8 o   5.8280   0.9289   6.4320   1.1550   5.2250   1.4550 1.207000 1.858000 
1 1 1  -63   19    9 o   3.7390   0.9981   3.8550   1.3950   3.6220   1.4280 0.2324000 1.996000 
1 1 1  -63   19   10 o   5.0570   0.9687   5.8200   1.2650   4.2950   1.4670 1.525000 1.937000 
1 1 1  -63   19   11 o   4.3830   1.0400   4.4670   1.4530   4.3000   1.4880 0.1667000 2.080000 
1 1 1  -63   19   12 o   3.3190   0.9753   3.0170   1.3170   3.6200   1.4390 -0.6035000 1.951000 
1 1 1  -63   19   13 o   4.3320   0.9390   5.8120   1.3700   2.8530   1.2850 2.959000 1.878000 
1 1 1  -63   19   14 o   2.7260   0.9039   2.7810   1.2740   2.6720   1.2830 0.1089000 1.808000 
1 1 1  -63   19   15 o   3.0200   0.9829   2.7490   1.3060   3.2910   1.4690 -0.5420000 1.966000 
1 1 1  -63   19   16 o   3.3330   1.0540   3.4600   1.5250   3.2070   1.4550 0.2535000 2.108000 
1 1 1  -63   19   17 o   3.0210   0.9538   2.6710   1.2620   3.3710   1.4300 -0.6998000 1.908000 
1 1 1  -63   21    1 o   2.7150   0.9185   2.9470   1.3780   2.4840   1.2150 0.4631000 1.837000 
1 1 1  -63   21    2 o   2.1510   0.7609   2.1450   1.0710   2.1570   1.0810 -0.1142000E-01 1.522000 
1 1 1  -63   21    3 o   3.0730   0.9881   2.8300   1.3180   3.3150   1.4720 -0.4856000 1.976000 
1 1 1  -63   21    4 o   3.2080   1.0360   3.3330   1.5280   3.0830   1.3980 0.2498000 2.071000 
1 1 1  -63   21    5 o   7.0930   1.1650   8.4100   1.4550   5.7750   1.8200 2.634000 2.330000 
1 1 1  -63   21    6 o   3.4230   1.0920   3.6620   1.6060   3.1830   1.4800 0.4796000 2.184000 
1 1 1  -63   21    7 o   3.4400   1.0980   3.5750   1.5710   3.3040   1.5340 0.2719000 2.196000 
1 1 1  -63   21    8 o   3.4720   1.0900   3.9650   1.6640   2.9800   1.4080 0.9853000 2.180000 
1 1 1  -63   21    9 o   3.1830   1.0370   3.5680   1.5780   2.7990   1.3460 0.7693000 2.074000 
1 1 1  -63   21   10 o   2.3720   0.8361   2.4470   1.2140   2.2980   1.1500 0.1486000 1.672000 
1 1 1  -63   21   11 o   2.5140   0.8782   2.6360   1.2930   2.3920   1.1890 0.2441000 1.756000 
1 1 1  -63   21   12 o   2.8140   0.9599   2.4620   1.2240   3.1660   1.4790 -0.7045000 1.920000 
1 1 1  -62    0    1 o   16.490   0.8010   16.490   0.8010   16.490   0.8010 0.000000 0.000000 
1 1 1  -62    0    2 o   11.320   0.6973   11.320   0.6973   11.320   0.6973 0.000000 0.000000 
1 1 1  -62    0    3 o   7.2460   1.1300   7.2460   1.1300   7.2460   1.1300 0.000000 0.000000 
1 1 1  -62    0    4 o   7.5670   1.0230   7.5670   1.0230   7.5670   1.0230 0.000000 0.000000 
1 1 1  -62    0    5 o   19.790   0.4087   19.790   0.4087   19.790   0.4087 0.000000 0.000000 
1 1 1  -62    0    6 o   3.6710   1.6490   3.6710   1.6490   3.6710   1.6490 0.000000 0.000000 
1 1 1  -62    0    7 o   5.4810   1.3590   5.4810   1.3590   5.4810   1.3590 0.000000 0.000000 
1 1 1  -62    0    8 o   1.8610   1.2370   1.8610   1.2370   1.8610   1.2370 -0.000000 0.000000 
1 1 1  -62    0    9 f   11.310   0.5627   11.310   0.5627   11.310   0.5627 -0.000000 0.000000 
1 1 1  -62    0   10 o   1.5840   1.1020   1.5840   1.1020   1.5840   1.1020 0.000000 0.000000 
1 1 1  -62    0   11 o   29.140   0.4053   29.140   0.4053   29.140   0.4053 0.000000 0.000000 
1 1 1  -62    0   12 o   24.660   0.3579   24.660   0.3579   24.660   0.3579 -0.000000 0.000000 
1 1 1  -62    0   13 o   2.4020   1.4690   2.4020   1.4690   2.4020   1.4690 -0.000000 0.000000 
1 1 1  -62    0   14 o   23.620   0.4844   23.620   0.4844   23.620   0.4844 -0.000000 0.000000 
1 1 1  -62    0   15 f   20.620   0.5200   20.620   0.5200   20.620   0.5200 0.000000 0.000000 
1 1 1  -62    0   16 o   30.080   0.3811   30.080   0.3811   30.080   0.3811 -0.000000 0.000000 
1 1 1  -62    0   17 o   13.330   0.5711   13.330   0.5711   13.330   0.5711 0.000000 0.000000 
1 1 1  -62    0   18 o   5.2770   1.6290   5.2770   1.6290   5.2770   1.6290 -0.000000 0.000000 
1 1 1  -62    0   19 o   2.1140   1.4120   2.1140   1.4120   2.1140   1.4120 -0.000000 0.000000 
1 1 1  -62    0   20 o   18.470   0.5088   18.470   0.5088   18.470   0.5088 0.000000 0.000000 
1 1 1  -62    0   21 o   10.620   0.8362   10.620   0.8362   10.620   0.8362 0.000000 0.000000 
1 1 1  -62    0   22 o   2.7350   1.6790   2.7350   1.6790   2.7350   1.6790 0.000000 0.000000 
1 1 1  -62    0   23 o   5.2230   1.9020   5.2230   1.9020   5.2230   1.9020 -0.000000 0.000000 
1 1 1  -62    0   24 o   9.1630   1.6900   9.1630   1.6900   9.1630   1.6900 -0.000000 0.000000 
1 1 1  -62    0   25 o   10.430   1.0110   10.430   1.0110   10.430   1.0110 -0.000000 0.000000 
1 1 1  -62    0   26 o   23.660   0.5015   23.660   0.5015   23.660   0.5015 0.000000 0.000000 
1 1 1  -62    0   27 o   8.6550   1.2450   8.6550   1.2450   8.6550   1.2450 -0.000000 0.000000 
1 1 1  -62    0   28 o   2.3250   1.5520   2.3250   1.5520   2.3250   1.5520 -0.000000 0.000000 
1 1 1  -62    0   29 o   9.7910   1.8190   9.7910   1.8190   9.7910   1.8190 0.000000 0.000000 
1 1 1  -62    2    1 o   19.270   0.3199   19.120   0.4656   19.430   0.4388 -0.3136000 0.6398000 
1 1 1  -62    2    2 o   16.540   0.3363   16.450   0.4951   16.640   0.4553 -0.1911000 0.6726000 
1 1 1  -62    2    3 o   10.290   0.4868   9.8240   0.7428   10.760   0.6294 -0.9340000 0.9736000 
1 1 1  -62    2    4 o   14.670   0.5803  ?   ?    14.670   0.5803      ?      ? 
1 1 1  -62    2    5 o   5.7410   0.9926   6.2500   1.3960   5.2320   1.4110 1.018000 1.985000 
1 1 1  -62    2    6 o   14.380   0.3632   14.340   0.4220   14.420   0.5912 -0.7787000E-01 0.7264000 
1 1 1  -62    2    7 o   7.9750   0.5841   8.0840   0.6659   7.8650   0.9598 0.2188000 1.168000 
1 1 1  -62    2    8 o   21.090   0.3150   20.600   0.4085   21.590   0.4796 -0.9868000 0.6300000 
1 1 1  -62    2    9 o   3.1520   0.9118   3.2580   1.2290   3.0460   1.3470 0.2123000 1.824000 
1 1 1  -62    2   10 o   12.180   0.5400   12.050   0.7851   12.320   0.7416 -0.2790000 1.080000 
1 1 1  -62    2   11 o   8.4620   0.8061   7.8770   1.2120   9.0480   1.0640 -1.171000 1.612000 
1 1 1  -62    2   12 o   4.5860   0.8857   4.6130   1.2630   4.5600   1.2420 0.5338000E-01 1.771000 
1 1 1  -62    2   13 o   12.800   0.3637   13.430   0.5030   12.160   0.5254 1.273000 0.7274000 
1 1 1  -62    2   14 f   4.1920   0.9573   3.8670   1.3710   4.5170   1.3360 -0.6491000 1.915000 
1 1 1  -62    2   15 o   18.760   0.2966   18.390   0.4272   19.140   0.4115 -0.7461000 0.5931000 
1 1 1  -62    2   16 o   13.980   0.4359   13.870   0.6411   14.080   0.5910 -0.2135000 0.8719000 
1 1 1  -62    2   17 o   6.8350   0.8956   7.1830   1.2700   6.4870   1.2630 0.6958000 1.791000 
1 1 1  -62    2   18 f   11.420   0.5115   10.020   0.8169   12.830   0.6156 -2.815000 1.023000 
1 1 1  -62    2   19 o   14.490   0.4178   14.410   0.5952   14.560   0.5864 -0.1491000 0.8356000 
1 1 1  -62    2   20 o   13.080   0.4772   13.150   0.6684   13.000   0.6812 0.1466000 0.9544000 
1 1 1  -62    2   21 o   5.6440   1.0600   5.8470   1.4900   5.4410   1.5100 0.4063000 2.121000 
1 1 1  -62    2   22 o   3.0110   0.9847   3.0870   1.4380   2.9360   1.3450 0.1514000 1.969000 
1 1 1  -62    2   23 o   20.460   0.4243   20.410   0.6290   20.510   0.5696 -0.1009000 0.8486000 
1 1 1  -62    2   24 o   10.740   0.7074   10.130   0.9673   11.350   1.0320 -1.221000 1.415000 
1 1 1  -62    2   25 o   6.4420   1.1970   7.2190   1.5670   5.6640   1.8090 1.555000 2.393000 
1 1 1  -62    2   26 o   9.9470   0.7161   9.7340   1.0580   10.160   0.9655 -0.4251000 1.432000 
1 1 1  -62    2   27 o   2.8270   0.9400   2.6520   1.2700   3.0020   1.3860 -0.3501000 1.880000 
1 1 1  -62    2   28 o   10.060   0.8412   10.350   1.1580   9.7670   1.2200 0.5876000 1.682000 
1 1 1  -62    2   29 o   2.7080   0.9123   2.5680   1.2400   2.8480   1.3390 -0.2806000 1.825000 
1 1 1  -62    4    1 o   5.3310   0.8904   4.4880   1.4820   6.1750   0.9871 -1.687000 1.781000 
1 1 1  -62    4    2 o   7.9600   0.6229   8.9440   0.8171   6.9770   0.9406 1.967000 1.246000 
1 1 1  -62    4    3 o   9.3660   1.2080   11.310   1.1740   7.4230   2.1120 3.886000 2.416000 
1 1 1  -62    4    4 o   11.300   0.9038   11.010   1.1570   11.580   1.3890 -0.5688000 1.808000 
1 1 1  -62    4    5 o   4.5170   1.3220   4.3220   1.7750   4.7110   1.9590 -0.3887000 2.643000 
1 1 1  -62    4    6 o   13.440   0.7500   13.930   0.9103   12.950   1.1920 0.9765000 1.500000 
1 1 1  -62    4    7 o   17.700   0.5886   18.940   0.6937   16.460   0.9512 2.477000 1.177000 
1 1 1  -62    4    8 o   15.430   0.6350   15.790   0.7681   15.070   1.0110 0.7186000 1.270000 
1 1 1  -62    4    9 o   8.4100   1.1020   6.6220   1.6930   10.200   1.4100 -3.575000 2.203000 
1 1 1  -62    4   10 o   5.0210   1.2170   3.7920   1.6260   6.2500   1.8130 -2.458000 2.435000 
1 1 1  -62    4   11 o   14.200   0.5995   14.350   0.8047   14.050   0.8889 0.3083000 1.199000 
1 1 1  -62    4   12 o   9.4920   0.8892   9.9610   1.1590   9.0230   1.3490 0.9377000 1.778000 
1 1 1  -62    4   13 f   17.020   0.3193   16.440   0.3956   17.610   0.5012 -1.174000 0.6385000 
1 1 1  -62    4   14 o   12.960   0.3947   13.210   0.5980   12.720   0.5153 0.4922000 0.7894000 
1 1 1  -62    4   15 o   12.700   0.4041   12.270   0.5967   13.140   0.5452 -0.8707000 0.8083000 
1 1 1  -62    4   16 o   9.3630   0.5683   9.0480   0.8299   9.6780   0.7765 -0.6298000 1.137000 
1 1 1  -62    4   17 o   11.490   0.4970   10.420   0.7661   12.570   0.6332 -2.155000 0.9939000 
1 1 1  -62    4   18 o   3.4090   1.0290   2.8400   1.3320   3.9790   1.5690 -1.139000 2.059000 
1 1 1  -62    4   19 o   16.420   0.3822   17.400   0.5131   15.430   0.5665 1.973000 0.7643000 
1 1 1  -62    4   20 o   10.840   0.6486   12.120   0.9287   9.5520   0.9055 2.568000 1.297000 
1 1 1  -62    4   21 o   21.780   0.3967   21.710   0.5810   21.860   0.5404 -0.1498000 0.7934000 
1 1 1  -62    4   22 o   4.3090   1.1230   3.8960   1.5410   4.7220   1.6330 -0.8262000 2.245000 
1 1 1  -62    4   23 o   15.560   0.4445   15.530   0.6172   15.590   0.6397 -0.5448000E-01 0.8889000 
1 1 1  -62    4   24 o   2.9570   0.9623   2.7830   1.3080   3.1310   1.4120 -0.3485000 1.925000 
1 1 1  -62    4   25 o   8.1940   0.8759   9.0860   1.0920   7.3020   1.3700 1.784000 1.752000 
1 1 1  -62    4   26 o   4.7620   1.2710   3.4610   1.5910   6.0640   1.9820 -2.604000 2.542000 
1 1 1  -62    4   27 o   6.1010   1.2280   6.3810   1.6910   5.8210   1.7810 0.5603000 2.456000 
1 1 1  -62    4   28 o   3.1600   1.0010   3.5470   1.5110   2.7730   1.3150 0.7746000 2.003000 
1 1 1  -62    6    1 o   9.0670   0.5447   8.4200   0.8424   9.7130   0.6908 -1.293000 1.089000 
1 1 1  -62    6    2 o   5.2900   1.4220   5.9240   2.0050   4.6550   2.0190 1.269000 2.845000 
1 1 1  -62    6    3 o   8.8340   1.2430   12.130   1.2170   5.5390   2.1690 6.589000 2.487000 
1 1 1  -62    6    4 o   10.510   1.1100   11.100   1.2800   9.9260   1.8130 1.172000 2.219000 
1 1 1  -62    6    5 o   5.1030   1.4090   4.1520   1.7940   6.0540   2.1720 -1.902000 2.817000 
1 1 1  -62    6    6 o   11.000   1.0200   12.050   1.1490   9.9410   1.6850 2.110000 2.040000 
1 1 1  -62    6    7 o   21.420   0.6895   21.420   0.6895  ?   ?       ?      ? 
1 1 1  -62    6    8 o   19.880   0.5617   21.140   0.6935   18.620   0.8837 2.511000 1.123000 
1 1 1  -62    6    9 o   9.7130   1.2600   11.210   1.1540   8.2200   2.2400 2.986000 2.520000 
1 1 1  -62    6   10 o   11.980   0.7982   12.670   1.0310   11.300   1.2190 1.373000 1.596000 
1 1 1  -62    6   11 o   9.1860   1.0030   9.4430   1.3400   8.9280   1.4920 0.5149000 2.006000 
1 1 1  -62    6   12 o   6.0720   1.3310   6.3710   1.8500   5.7720   1.9140 0.5988000 2.661000 
1 1 1  -62    6   13 o   12.310   0.7369   11.970   1.0350   12.650   1.0490 -0.6799000 1.474000 
1 1 1  -62    6   14 o   26.680   0.4356   25.630   0.6178   27.730   0.6142 -2.102000 0.8712000 
1 1 1  -62    6   15 o   6.8610   0.8305   5.9520   1.2350   7.7700   1.1110 -1.817000 1.661000 
1 1 1  -62    6   16 o   4.0830   1.0000   4.4460   1.4090   3.7200   1.4190 0.7266000 2.000000 
1 1 1  -62    6   17 o   6.5400   0.8671   7.2080   1.0930   5.8720   1.3470 1.335000 1.734000 
1 1 1  -62    6   18 o   4.8410   1.0750   3.7530   1.5430   5.9290   1.4980 -2.177000 2.151000 
1 1 1  -62    6   19 o   9.6670   1.0410   11.340   1.3660   7.9980   1.5700 3.338000 2.082000 
1 1 1  -62    6   20 o   10.910   0.5710   11.320   0.7638   10.500   0.8489 0.8251000 1.142000 
1 1 1  -62    6   21 o   20.010   0.3542   19.520   0.5122   20.510   0.4894 -0.9903000 0.7084000 
1 1 1  -62    6   22 o   3.6570   1.0660   3.2580   1.4300   4.0570   1.5820 -0.7996000 2.133000 
1 1 1  -62    6   23 f   5.1480   1.1480   5.4070   1.5820   4.8890   1.6640 0.5179000 2.296000 
1 1 1  -62    6   24 o   11.080   0.6260   11.350   0.8219   10.810   0.9445 0.5407000 1.252000 
1 1 1  -62    6   25 o   7.4570   1.0540   9.4770   1.1380   5.4370   1.7760 4.040000 2.109000 
1 1 1  -62    6   26 o   2.6340   0.9038   2.3880   1.1790   2.8800   1.3700 -0.4920000 1.808000 
1 1 1  -62    6   27 o   3.9740   1.1370   4.0530   1.6320   3.8960   1.5850 0.1566000 2.275000 
1 1 1  -62    6   28 f   3.0260   0.9712   3.5100   1.5050   2.5410   1.2280 0.9687000 1.942000 
1 1 1  -62    8    1 o   8.1840   1.9320   7.4670   2.5780   8.9010   2.8800 -1.434000 3.865000 
1 1 1  -62    8    2 o   6.4220   1.5480   5.3020   2.0320   7.5410   2.3350 -2.239000 3.095000 
1 1 1  -62    8    3 o   9.1830   1.3670   9.2520   1.6800   9.1150   2.1580 0.1370000 2.735000 
1 1 1  -62    8    4 o   7.3600   1.4590   8.7000   1.7990   6.0190   2.2970 2.680000 2.918000 
1 1 1  -62    8    5 o   4.7050   1.3280   5.7770   2.0110   3.6330   1.7360 2.144000 2.657000 
1 1 1  -62    8    6 o   5.0750   1.4110   5.4420   1.9670   4.7090   2.0230 0.7332000 2.822000 
1 1 1  -62    8    7 o   6.8360   1.4380   7.4470   1.8580   6.2250   2.1950 1.222000 2.876000 
1 1 1  -62    8    8 o   12.790   0.8626   12.670   1.0760   12.920   1.3480 -0.2459000 1.725000 
1 1 1  -62    8    9 o   14.360   0.7082   14.050   0.9677   14.670   1.0340 -0.6252000 1.416000 
1 1 1  -62    8   10 o   11.010   0.9306   9.0460   1.4740   12.970   1.1370 -3.929000 1.861000 
1 1 1  -62    8   11 o   5.1630   1.3630   4.6610   1.8350   5.6660   2.0160 -1.005000 2.726000 
1 1 1  -62    8   12 o   5.9590   1.3210   6.9340   1.8030   4.9830   1.9310 1.951000 2.642000 
1 1 1  -62    8   13 o   7.5170   1.2630   7.1250   1.7720   7.9090   1.8000 -0.7841000 2.526000 
1 1 1  -62    8   14 o   6.7380   1.7140   7.2470   2.5130   6.2290   2.3330 1.017000 3.429000 
1 1 1  -62    8   15 o   9.6390   1.3040   8.6280   2.4890   10.650   0.7779 -2.022000 2.608000 
1 1 1  -62    8   16 o   10.880   0.5627   11.250   0.8131   10.520   0.7780 0.7287000 1.125000 
1 1 1  -62    8   17 o   4.2370   0.9980   5.1030   1.4150   3.3720   1.4070 1.731000 1.996000 
1 1 1  -62    8   18 o   2.9920   0.9147   3.6870   1.4500   2.2970   1.1160 1.390000 1.829000 
1 1 1  -62    8   19 o   9.2300   0.8724   9.4780   1.2050   8.9820   1.2620 0.4962000 1.745000 
1 1 1  -62    8   20 o   5.9020   1.0000   4.6740   1.5560   7.1300   1.2580 -2.456000 2.001000 
1 1 1  -62    8   21 o   4.3440   1.1150   3.9740   1.5520   4.7140   1.6020 -0.7397000 2.231000 
1 1 1  -62    8   22 o   4.3190   1.1280   4.5620   1.5970   4.0760   1.5940 0.4856000 2.257000 
1 1 1  -62    8   23 o   3.5370   1.0940   3.3680   1.4890   3.7070   1.6020 -0.3389000 2.188000 
1 1 1  -62    8   24 o   9.4260   0.7837   10.910   0.8843   7.9370   1.2940 2.978000 1.567000 
1 1 1  -62    8   25 o   3.9270   1.1150   3.6820   1.5210   4.1710   1.6300 -0.4891000 2.230000 
1 1 1  -62    8   26 o   3.7290   1.1110   3.1230   1.4110   4.3360   1.7160 -1.212000 2.222000 
1 1 1  -62    8   27 f   3.1710   1.0290   3.5340   1.5560   2.8080   1.3460 0.7265000 2.057000 
1 1 1  -62   10    1 o   10.620   1.3470   12.740   1.3590   8.4960   2.3260 4.240000 2.694000 
1 1 1  -62   10    2 o   3.8710   1.2900   3.4960   1.6650   4.2460   1.9700 -0.7501000 2.580000 
1 1 1  -62   10    3 o   4.9350   1.4440   3.6640   1.7170   6.2060   2.3220 -2.542000 2.888000 
1 1 1  -62   10    4 f   5.5340   1.6390   5.0640   2.0420   6.0050   2.5650 -0.9417000 3.278000 
1 1 1  -62   10    5 o   6.4590   1.8260   6.9470   2.5730   5.9700   2.5910 0.9768000 3.651000 
1 1 1  -62   10    6 o   9.8050   1.8840   9.7290   2.5420   9.8800   2.7810 -0.1520000 3.768000 
1 1 1  -62   10    7 o   14.260   1.3940   14.580   1.7640   13.930   2.1600 0.6458000 2.789000 
1 1 1  -62   10    8 o   8.9910   2.6090   8.9910   2.6090  ?   ?       ?      ? 
1 1 1  -62   10    9 o   15.610   1.1570   13.870   1.8650   17.360   1.3700 -3.490000 2.314000 
1 1 1  -62   10   10 o   13.680   0.9548   12.580   1.1610   14.770   1.5160 -2.188000 1.910000 
1 1 1  -62   10   11 o   17.130   0.6312   17.090   0.8657   17.160   0.9187 -0.7127000E-01 1.262000 
1 1 1  -62   10   12 o   9.5510   1.1280   9.1430   1.6000   9.9590   1.5900 -0.8160000 2.256000 
1 1 1  -62   10   13 o   17.040   0.6362   16.470   0.9157   17.610   0.8833 -1.148000 1.272000 
1 1 1  -62   10   14 o   4.3840   1.3110   4.0240   1.7720   4.7430   1.9320 -0.7192000 2.621000 
1 1 1  -62   10   15 o   6.8930   1.3510   7.7580   1.8100   6.0270   2.0060 1.731000 2.701000 
1 1 1  -62   10   16 o   7.6380   0.7596   7.6850   1.0130   7.5920   1.1320 0.9203000E-01 1.519000 
1 1 1  -62   10   17 o   7.2250   0.7615   7.7120   0.9598   6.7370   1.1820 0.9755000 1.523000 
1 1 1  -62   10   18 o   16.010   0.3929   15.720   0.5461   16.300   0.5650 -0.5844000 0.7858000 
1 1 1  -62   10   19 o   8.3070   1.1410   5.5910   2.0220   11.020   1.0570 -5.432000 2.282000 
1 1 1  -62   10   20 o   7.3200   1.1610   6.4870   1.9480   8.1540   1.2620 -1.667000 2.321000 
1 1 1  -62   10   21 o   9.2220   0.8007   8.7380   1.1780   9.7060   1.0850 -0.9674000 1.601000 
1 1 1  -62   10   22 o   10.820   0.6353   11.400   0.8514   10.250   0.9431 1.151000 1.271000 
1 1 1  -62   10   23 o   5.4540   1.1390   5.7860   1.5760   5.1220   1.6440 0.6645000 2.277000 
1 1 1  -62   10   24 o   7.9960   0.8766   7.9270   1.2400   8.0650   1.2400 -0.1379000 1.753000 
1 1 1  -62   10   25 o   5.1520   1.1380   5.8640   1.5740   4.4390   1.6450 1.425000 2.277000 
1 1 1  -62   10   26 f   7.6270   0.9894   7.4770   1.3140   7.7780   1.4790 -0.3008000 1.979000 
1 1 1  -62   12    1 o   4.1070   1.2370   4.5190   1.9670   3.6950   1.5020 0.8238000 2.475000 
1 1 1  -62   12    2 o   5.8170   1.5320   6.4770   2.1540   5.1570   2.1800 1.320000 3.065000 
1 1 1  -62   12    3 o   5.1350   1.4820   5.4940   2.1030   4.7760   2.0900 0.7176000 2.965000 
1 1 1  -62   12    4 o   5.5970   1.5530   5.4000   2.0970   5.7950   2.2910 -0.3952000 3.106000 
1 1 1  -62   12    5 o   6.0260   1.5050   6.9460   2.0800   5.1060   2.1750 1.840000 3.009000 
1 1 1  -62   12    6 f   6.1480   1.5530   5.4840   2.0840   6.8130   2.3030 -1.329000 3.106000 
1 1 1  -62   12    7 o   14.210   0.9077   14.820   1.1050   13.610   1.4400 1.206000 1.815000 
1 1 1  -62   12    8 o   15.380   0.7829   16.200   1.0180   14.570   1.1900 1.631000 1.566000 
1 1 1  -62   12    9 o   7.5780   1.4110   5.9990   2.0980   9.1570   1.8880 -3.158000 2.822000 
1 1 1  -62   12   10 o   18.480   0.6304   18.370   0.8780   18.590   0.9047 -0.2207000 1.261000 
1 1 1  -62   12   11 o   9.2890   1.1990   10.280   1.4550   8.2960   1.9060 1.986000 2.398000 
1 1 1  -62   12   12 o   10.010   1.1300   9.3320   1.6620   10.700   1.5310 -1.364000 2.260000 
1 1 1  -62   12   13 o   4.8150   1.3660   3.7960   1.7370   5.8330   2.1090 -2.037000 2.732000 
1 1 1  -62   12   14 o   5.3690   1.3780   6.4700   2.0260   4.2680   1.8690 2.202000 2.757000 
1 1 1  -62   12   15 o   4.3610   1.2980   5.0610   1.9510   3.6600   1.7130 1.401000 2.597000 
1 1 1  -62   12   16 o   6.3170   0.9731   5.1950   1.4710   7.4390   1.2740 -2.244000 1.946000 
1 1 1  -62   12   17 o   4.2900   1.0510   3.3810   1.3720   5.2000   1.5910 -1.819000 2.101000 
1 1 1  -62   12   18 o   7.7610   0.8619   8.1030   1.1100   7.4200   1.3190 0.6836000 1.724000 
1 1 1  -62   12   19 o   6.0060   1.2870   5.9600   1.8440   6.0510   1.7970 -0.9104000E-01 2.575000 
1 1 1  -62   12   20 o   8.2880   0.8116   9.1290   0.9714   7.4470   1.3000 1.682000 1.623000 
1 1 1  -62   12   21 f   8.1020   0.8541   8.3780   1.1210   7.8260   1.2890 0.5523000 1.708000 
1 1 1  -62   12   22 o   6.4090   1.0290   8.0740   1.1930   4.7440   1.6770 3.330000 2.059000 
1 1 1  -62   12   23 o   3.0500   0.9844   2.8530   1.3230   3.2470   1.4580 -0.3939000 1.969000 
1 1 1  -62   12   24 f   6.7420   0.9991   8.7190   1.1050   4.7650   1.6650 3.954000 1.998000 
1 1 1  -62   12   25 o   2.4860   0.8481   3.1070   1.4060   1.8650   0.9482 1.242000 1.696000 
1 1 1  -62   14    1 o   10.620   0.7170   9.6310   1.2340   11.610   0.7295 -1.976000 1.434000 
1 1 1  -62   14    2 f   8.2600   1.8760   9.4640   2.4910   7.0560   2.8050 2.408000 3.752000 
1 1 1  -62   14    3 o   6.5250   1.8250   5.3460   2.3270   7.7040   2.8120 -2.358000 3.650000 
1 1 1  -62   14    4 o   5.0240   1.6040   5.6640   2.4010   4.3830   2.1270 1.281000 3.207000 
1 1 1  -62   14    5 o   4.6870   1.5070   5.4400   2.3110   3.9340   1.9360 1.506000 3.015000 
1 1 1  -62   14    6 o   4.4600   1.4740   4.6320   2.1090   4.2880   2.0590 0.3439000 2.947000 
1 1 1  -62   14    7 o   4.6420   1.5100   3.8030   1.8280   5.4800   2.4040 -1.677000 3.020000 
1 1 1  -62   14    8 o   7.3650   1.6380   9.3390   2.2560   5.3920   2.3740 3.948000 3.275000 
1 1 1  -62   14    9 o   7.7770   1.6850   8.9550   2.2200   6.5990   2.5350 2.357000 3.370000 
1 1 1  -62   14   10 o   4.3570   1.4340   3.8140   1.8210   4.9000   2.2150 -1.086000 2.867000 
1 1 1  -62   14   11 o   5.2560   1.5700   5.0500   2.1230   5.4620   2.3130 -0.4123000 3.140000 
1 1 1  -62   14   12 o   3.6520   1.2590   3.1850   1.5750   4.1190   1.9650 -0.9341000 2.519000 
1 1 1  -62   14   13 o   5.5490   1.6130   5.4720   2.2210   5.6260   2.3380 -0.1546000 3.225000 
1 1 1  -62   14   14 o   2.8360   0.9883   3.7500   1.7290   1.9220   0.9579 1.828000 1.977000 
1 1 1  -62   14   15 o   11.370   0.5234   11.680   0.6588   11.060   0.8136 0.6172000 1.047000 
1 1 1  -62   14   16 o   2.6600   0.8496   2.0040   0.9867   3.3150   1.3830 -1.311000 1.699000 
1 1 1  -62   14   17 o   4.7960   1.0700   4.7460   1.4690   4.8460   1.5550 -0.1003000 2.139000 
1 1 1  -62   14   18 o   9.7050   0.7704   10.170   0.8196   9.2430   1.3050 0.9246000 1.541000 
1 1 1  -62   14   19 o   5.6260   1.2780   4.2230   1.8590   7.0290   1.7530 -2.806000 2.555000 
1 1 1  -62   14   20 o   3.6260   1.0450   2.9290   1.3370   4.3230   1.6070 -1.394000 2.091000 
1 1 1  -62   14   21 f   3.8610   1.0910   4.2820   1.5970   3.4400   1.4860 0.8418000 2.181000 
1 1 1  -62   14   22 o   5.5620   1.0900   6.6930   1.4350   4.4300   1.6420 2.263000 2.181000 
1 1 1  -62   14   23 o   2.3430   0.8132   1.9190   0.9721   2.7670   1.3040 -0.8472000 1.626000 
1 1 1  -62   14   24 o   3.2330   1.0090   3.7290   1.5460   2.7380   1.2970 0.9910000 2.018000 
1 1 1  -62   16    1 o   10.830   0.6297   11.940   0.8170   9.7250   0.9584 2.220000 1.259000 
1 1 1  -62   16    2 o   4.5880   1.0360   5.4300   1.3260   3.7460   1.5930 1.684000 2.073000 
1 1 1  -62   16    3 o   8.7520   0.7124   8.7650   1.1000   8.7380   0.9056 0.2707000E-01 1.425000 
1 1 1  -62   16    4 o   8.8280   1.1370   10.910   1.7220   6.7450   1.4850 4.165000 2.274000 
1 1 1  -62   16    5 o   7.3340   1.5880   8.2680   2.1470   6.4010   2.3410 1.867000 3.177000 
1 1 1  -62   16    6 o   4.6900   1.4030   3.3440   1.6290   6.0350   2.2860 -2.691000 2.807000 
1 1 1  -62   16    7 o   4.0400   1.3620   3.4550   1.6590   4.6250   2.1610 -1.171000 2.724000 
1 1 1  -62   16    8 o   10.590   1.2550   12.010   1.4610   9.1760   2.0410 2.831000 2.510000 
1 1 1  -62   16    9 o   4.3080   1.3400   4.8980   2.0200   3.7170   1.7610 1.181000 2.680000 
1 1 1  -62   16   10 o   4.6190   1.4030   4.7720   1.9990   4.4670   1.9690 0.3054000 2.806000 
1 1 1  -62   16   11 o   4.1670   1.2880   5.1000   2.0340   3.2340   1.5790 1.866000 2.575000 
1 1 1  -62   16   12 o   3.6090   1.1530   4.5930   1.9490   2.6250   1.2310 1.968000 2.305000 
1 1 1  -62   16   13 o   5.3570   1.0490   4.7350   1.4630   5.9780   1.5030 -1.243000 2.098000 
1 1 1  -62   16   14 o   2.6970   0.8723   2.3400   1.1380   3.0540   1.3230 -0.7139000 1.745000 
1 1 1  -62   16   15 o   11.170   0.5000   11.230   0.6731   11.110   0.7395 0.1166000 1.000000 
1 1 1  -62   16   16 o   4.8220   1.0480   4.0960   1.4910   5.5480   1.4730 -1.452000 2.096000 
1 1 1  -62   16   17 o   3.3920   0.9808   4.2790   1.5240   2.5050   1.2350 1.774000 1.962000 
1 1 1  -62   16   18 o   5.5580   1.2280   6.6430   1.7020   4.4740   1.7700 2.169000 2.456000 
1 1 1  -62   16   19 o   5.0230   1.1190   5.4860   1.5540   4.5610   1.6100 0.9253000 2.238000 
1 1 1  -62   16   20 o   5.0770   0.9515   7.1550   1.3150   2.9990   1.3760 4.155000 1.903000 
1 1 1  -62   16   21 o   2.2240   0.7814   2.4210   1.1840   2.0270   1.0210 0.3937000 1.563000 
1 1 1  -62   16   22 o   2.0810   0.7382   2.2360   1.1090   1.9250   0.9746 0.3109000 1.476000 
1 1 1  -62   18    1 o   4.6000   1.2030   5.4280   1.7500   3.7730   1.6510 1.654000 2.406000 
1 1 1  -62   18    2 o   8.6020   0.7676   7.3540   1.2020   9.8490   0.9548 -2.496000 1.535000 
1 1 1  -62   18    3 o   3.4540   1.0250   3.6800   1.4680   3.2290   1.4320 0.4512000 2.051000 
1 1 1  -62   18    4 o   3.5000   1.0130   3.5130   1.4090   3.4860   1.4550 0.2711000E-01 2.026000 
1 1 1  -62   18    5 o   2.4640   0.8229   2.5740   1.1880   2.3540   1.1390 0.2198000 1.646000 
1 1 1  -62   18    6 o   6.8170   0.8067   7.5200   0.9512   6.1140   1.3030 1.406000 1.613000 
1 1 1  -62   18    7 f   4.4850   1.1100   4.5260   1.6660   4.4440   1.4690 0.8240000E-01 2.221000 
1 1 1  -62   18    8 o   3.3550   0.9971   3.0800   1.4020   3.6290   1.4180 -0.5492000 1.994000 
1 1 1  -62   18    9 o   2.8760   0.9031   2.4790   1.2020   3.2730   1.3480 -0.7931000 1.806000 
1 1 1  -62   18   10 o   4.7590   1.0790   5.0030   1.6030   4.5140   1.4440 0.4886000 2.157000 
1 1 1  -62   18   11 o   4.5110   0.9773   5.3100   1.3050   3.7120   1.4550 1.599000 1.955000 
1 1 1  -62   18   12 o   4.9360   1.0040   5.3730   1.3150   4.4990   1.5180 0.8734000 2.009000 
1 1 1  -62   18   13 o   5.7070   0.9879   6.0190   1.2630   5.3950   1.5200 0.6235000 1.976000 
1 1 1  -62   18   14 o   10.010   0.5894   9.3690   0.8311   10.650   0.8361 -1.283000 1.179000 
1 1 1  -62   18   15 o   5.6540   1.1180   5.4480   1.4530   5.8590   1.7010 -0.4114000 2.237000 
1 1 1  -62   18   16 o   6.2660   1.1820   7.0590   1.5590   5.4740   1.7770 1.584000 2.364000 
1 1 1  -62   18   17 o   3.9230   1.0680   3.2400   1.4170   4.6060   1.5980 -1.365000 2.136000 
1 1 1  -62   18   18 f   2.6420   0.8858   2.5900   1.2330   2.6940   1.2720 -0.1036000 1.772000 
1 1 1  -62   18   19 o   2.2840   0.7951   2.4820   1.2020   2.0860   1.0420 0.3962000 1.590000 
1 1 1  -62   18   20 o   2.4420   1.2480  ?   ?    2.4420   1.2480      ?      ? 
1 1 1  -62   20    1 o   2.6600   0.9036   2.9170   1.3650   2.4040   1.1840 0.5126000 1.807000 
1 1 1  -62   20    2 o   3.3060   1.0290   4.1220   1.6640   2.4910   1.2120 1.631000 2.059000 
1 1 1  -62   20    3 o   3.4020   1.0820   3.4270   1.5180   3.3780   1.5420 0.4929000E-01 2.164000 
1 1 1  -62   20    4 o   4.3030   1.1700   4.9860   1.7180   3.6210   1.5890 1.364000 2.341000 
1 1 1  -62   20    5 o   3.9290   1.1190   3.7870   1.5080   4.0700   1.6550 -0.2830000 2.239000 
1 1 1  -62   20    6 o   4.5370   1.0940   5.4200   1.5080   3.6540   1.5850 1.766000 2.187000 
1 1 1  -62   20    7 o   3.5030   1.0240   3.8700   1.4950   3.1360   1.3990 0.7341000 2.048000 
1 1 1  -62   20    8 o   2.8070   0.9058   3.1600   1.3770   2.4530   1.1770 0.7071000 1.812000 
1 1 1  -62   20    9 o   5.0480   1.0700   4.9880   1.5080   5.1080   1.5190 -0.1203000 2.140000 
1 1 1  -62   20   10 o   3.2250   0.9855   3.1010   1.3670   3.3490   1.4190 -0.2477000 1.971000 
1 1 1  -62   20   11 o   3.2330   0.9825   3.7480   1.4680   2.7190   1.3060 1.029000 1.965000 
1 1 1  -62   20   12 o   2.8480   0.9521   3.1310   1.4380   2.5640   1.2480 0.5670000 1.904000 
1 1 1  -62   20   13 o   3.2070   1.0290   3.0550   1.4140   3.3590   1.4950 -0.3042000 2.058000 
1 1 1  -62   20   14 o   2.3510   0.8162   2.4450   1.2030   2.2570   1.1030 0.1874000 1.632000 
1 1 1  -62   20   15 o   4.7850   1.1380   4.9620   1.6310   4.6070   1.5890 0.3554000 2.277000 
1 1 1  -62   20   16 o   2.1670   0.7635   1.8630   0.9472   2.4720   1.1980 -0.6094000 1.527000 
1 1 1  -62   22    1 o   2.8580   0.9505   2.6700   1.2890   3.0450   1.3970 -0.3750000 1.901000 
1 1 1  -62   22    2 o   2.4720   0.8457   2.0500   1.0270   2.8950   1.3440 -0.8452000 1.691000 
1 1 1  -62   22    3 o   2.7890   0.9119   3.4330   1.4740   2.1450   1.0740 1.288000 1.824000 
1 1 1  -62   22    4 o   2.6210   0.8893   2.6110   1.2480   2.6310   1.2670 -0.2018000E-01 1.779000 
1 1 1  -62   22    5 o   2.1530   0.7609   2.3180   1.1440   1.9880   1.0040 0.3300000 1.522000 
1 1 1  -62   22    6 o   1.8300   0.6601   2.0390   1.0250   1.6210   0.8324 0.4178000 1.320000 
1 1 1  -62   22    7 o   2.2730   0.7975   2.0750   1.0410   2.4710   1.2080 -0.3963000 1.595000 
1 1 1  -62   22    8 o   2.9920   0.9703   3.2510   1.4480   2.7320   1.2920 0.5195000 1.941000 
1 1 1  -62   22    9 o   2.6320   0.8841   2.8360   1.3120   2.4290   1.1860 0.4068000 1.768000 
1 1 1  -62   22   10 o   3.4140   1.0300   3.7010   1.5060   3.1270   1.4060 0.5733000 2.061000 
1 1 1  -62   22   11 o   2.4930   0.8877   2.3470   1.2130   2.6400   1.2960 -0.2928000 1.775000 
1 1 1  -61    1    1 o   4.0910   1.0600   4.0310   1.4940   4.1510   1.5040 -0.1206000 2.120000 
1 1 1  -61    1    2 o   8.4480   0.7518   8.2530   1.1650   8.6420   0.9502 -0.3892000 1.504000 
1 1 1  -61    1    3 o   9.3940   0.6457   9.7130   0.9434   9.0750   0.8818 0.6375000 1.291000 
1 1 1  -61    1    4 o   13.550   0.3869   13.250   0.5723   13.850   0.5207 -0.6035000 0.7738000 
1 1 1  -61    1    5 o   5.7980   0.8320   5.8940   1.2130   5.7020   1.1390 0.1925000 1.664000 
1 1 1  -61    1    6 o   8.5030   0.5357   8.3700   0.7940   8.6360   0.7194 -0.2659000 1.071000 
1 1 1  -61    1    7 o   17.470   0.3201   17.560   0.5050   17.380   0.3935 0.1773000 0.6402000 
1 1 1  -61    1    8 o   12.940   0.4225   12.150   0.6925   13.730   0.4843 -1.578000 0.8450000 
1 1 1  -61    1    9 o   22.080   0.2521   22.050   0.3549   22.110   0.3580 -0.6025000E-01 0.5042000 
1 1 1  -61    1   10 f   4.6110   0.8619   3.8930   1.3270   5.3300   1.1010 -1.436000 1.724000 
1 1 1  -61    1   11 o   1.5670   0.7885  ?   ?    1.5670   0.7885      ?      ? 
1 1 1  -61    1   12 o   30.360   0.2850   30.250   0.3996   30.470   0.4064 -0.2153000 0.5700000 
1 1 1  -61    1   13 o   14.790   0.3576   14.680   0.5135   14.900   0.4979 -0.2116000 0.7153000 
1 1 1  -61    1   14 o   17.950   0.2961   17.810   0.4256   18.080   0.4119 -0.2700000 0.5923000 
1 1 1  -61    1   15 o   26.790   0.3015   26.480   0.4325   27.090   0.4201 -0.6171000 0.6029000 
1 1 1  -61    1   16 o   27.900   0.3062   27.730   0.4362   28.060   0.4297 -0.3282000 0.6123000 
1 1 1  -61    1   17 o   17.430   0.3264   17.550   0.4586   17.320   0.4647 0.2300000 0.6529000 
1 1 1  -61    1   18 o   5.8950   0.8896   7.5010   1.0290   4.2890   1.4510 3.212000 1.779000 
1 1 1  -61    1   19 o   7.4700   0.7827   7.9240   1.0410   7.0160   1.1690 0.9076000 1.565000 
1 1 1  -61    1   20 o   12.450   0.4928   12.380   0.6961   12.520   0.6978 -0.1451000 0.9856000 
1 1 1  -61    1   21 o   10.050   0.6520   8.3220   1.0550   11.780   0.7670 -3.460000 1.304000 
1 1 1  -61    1   22 o   12.700   0.5223   12.290   0.7549   13.100   0.7220 -0.8101000 1.045000 
1 1 1  -61    1   23 o   3.9760   1.1400   4.7680   1.7600   3.1840   1.4490 1.584000 2.280000 
1 1 1  -61    1   24 o   5.1990   1.2630   3.8410   1.6290   6.5580   1.9300 -2.718000 2.526000 
1 1 1  -61    1   25 o   20.890   0.4475   20.850   0.6053   20.930   0.6593 -0.7458000E-01 0.8951000 
1 1 1  -61    1   26 o   7.5450   0.9724   7.6810   1.3620   7.4090   1.3880 0.2719000 1.945000 
1 1 1  -61    1   27 o   11.360   0.6556   10.120   1.0240   12.600   0.8193 -2.478000 1.311000 
1 1 1  -61    1   28 o   2.8760   0.9732   3.2650   1.5060   2.4870   1.2330 0.7784000 1.946000 
1 1 1  -61    1   29 o   5.7840   1.3840   4.6060   1.8030   6.9630   2.0990 -2.357000 2.767000 
1 1 1  -61    3    1 f   7.7050   0.6624   7.6440   1.0160   7.7660   0.8503 -0.1219000 1.325000 
1 1 1  -61    3    2 o   9.4390   0.5320   9.7870   0.8300   9.0920   0.6658 0.6944000 1.064000 
1 1 1  -61    3    3 o   7.2970   0.7000   8.4910   0.8739   6.1030   1.0940 2.388000 1.400000 
1 1 1  -61    3    4 o   10.390   0.5819   11.520   1.0610   9.2710   0.4794 2.244000 1.164000 
1 1 1  -61    3    5 o   9.2300   1.0580   9.6840   1.2520   8.7760   1.7060 0.9087000 2.116000 
1 1 1  -61    3    6 o   7.4710   1.2120   8.2110   1.4190   6.7310   1.9650 1.480000 2.423000 
1 1 1  -61    3    7 f   11.510   0.7828   10.580   1.0660   12.450   1.1460 -1.867000 1.566000 
1 1 1  -61    3    8 o   15.240   0.5965   15.090   0.7589   15.390   0.9206 -0.3089000 1.193000 
1 1 1  -61    3    9 o   13.220   0.6682   13.630   0.8367   12.810   1.0420 0.8179000 1.336000 
1 1 1  -61    3   10 f   5.2290   1.2470   5.3600   1.7230   5.0970   1.8020 0.2635000 2.493000 
1 1 1  -61    3   11 o   11.980   0.4823   12.410   0.8614   11.560   0.4340 0.8576000 0.9646000 
1 1 1  -61    3   12 o   6.5850   1.0110   7.1270   1.4930   6.0430   1.3630 1.084000 2.022000 
1 1 1  -61    3   13 o   8.0700   0.6178   7.6430   1.0020   8.4970   0.7228 -0.8532000 1.236000 
1 1 1  -61    3   14 o   11.220   0.4269   10.940   0.6336   11.490   0.5724 -0.5419000 0.8538000 
1 1 1  -61    3   15 o   13.450   0.3818   13.360   0.5548   13.550   0.5248 -0.1955000 0.7637000 
1 1 1  -61    3   16 o   4.9960   0.9808   5.1460   1.4060   4.8470   1.3670 0.2989000 1.962000 
1 1 1  -61    3   17 o   12.790   0.5109   12.760   0.7640   12.820   0.6785 -0.5964000E-01 1.022000 
1 1 1  -61    3   18 o   13.120   0.4340   12.550   0.6417   13.690   0.5846 -1.144000 0.8680000 
1 1 1  -61    3   19 f   12.560   0.4697   12.540   0.6792   12.580   0.6490 -0.4374000E-01 0.9394000 
1 1 1  -61    3   20 o   15.050   0.4124   14.550   0.6039   15.550   0.5617 -1.007000 0.8248000 
1 1 1  -61    3   21 o   4.7800   1.1620   5.6080   1.7620   3.9520   1.5160 1.656000 2.324000 
1 1 1  -61    3   22 o   4.6620   1.2190   4.9620   1.7650   4.3620   1.6810 0.5995000 2.437000 
1 1 1  -61    3   23 o   10.270   0.6656   10.500   0.9090   10.040   0.9725 0.4512000 1.331000 
1 1 1  -61    3   24 f   3.6290   1.0800   3.5750   1.5110   3.6840   1.5430 -0.1095000 2.159000 
1 1 1  -61    3   25 o   11.490   0.6944   11.280   0.9646   11.700   0.9991 -0.4203000 1.389000 
1 1 1  -61    3   26 o   6.4820   1.1270   7.3570   1.5360   5.6080   1.6510 1.749000 2.255000 
1 1 1  -61    3   27 o   3.1430   1.0380   2.9570   1.4090   3.3300   1.5240 -0.3731000 2.075000 
1 1 1  -61    3   28 f   2.3020   0.8064   2.1590   1.0790   2.4450   1.1980 -0.2857000 1.613000 
1 1 1  -61    3   29 o   4.0670   1.1320   3.7370   1.5530   4.3970   1.6480 -0.6607000 2.265000 
1 1 1  -61    5    1 o   4.5090   0.9098   5.9330   1.2840   3.0850   1.2890 2.848000 1.820000 
1 1 1  -61    5    2 o   3.7450   1.0880   4.3520   1.8110   3.1380   1.2070 1.214000 2.177000 
1 1 1  -61    5    3 o   4.1870   1.2540   4.9510   1.8930   3.4230   1.6460 1.529000 2.509000 
1 1 1  -61    5    4 o   4.6450   1.3520   3.8070   1.6850   5.4840   2.1140 -1.677000 2.704000 
1 1 1  -61    5    5 o   4.3970   1.3160   4.2670   1.7880   4.5270   1.9320 -0.2603000 2.632000 
1 1 1  -61    5    6 o   7.6660   1.0640   11.370   1.1310   3.9630   1.8030 7.407000 2.128000 
1 1 1  -61    5    7 o   15.550   0.6586   14.680   0.8758   16.430   0.9838 -1.744000 1.317000 
1 1 1  -61    5    8 o   14.610   0.6964   15.730   0.8073   13.500   1.1350 2.227000 1.393000 
1 1 1  -61    5    9 o   4.1970   1.2780   4.3350   1.7510   4.0580   1.8630 0.2769000 2.556000 
1 1 1  -61    5   10 o   4.0150   1.2010   4.2320   1.7320   3.7970   1.6640 0.4343000 2.402000 
1 1 1  -61    5   11 o   5.0690   1.2830   4.8250   1.7810   5.3140   1.8480 -0.4883000 2.567000 
1 1 1  -61    5   12 o   3.7440   1.1550   3.4440   1.5460   4.0430   1.7170 -0.5995000 2.310000 
1 1 1  -61    5   13 o   13.040   0.9355   13.040   0.9355  ?   ?       ?      ? 
1 1 1  -61    5   14 o   25.690   0.3077   25.360   0.4303   26.020   0.4399 -0.6614000 0.6154000 
1 1 1  -61    5   15 o   16.470   0.3250   16.100   0.4673   16.840   0.4517 -0.7384000 0.6500000 
1 1 1  -61    5   16 o   4.7770   0.9253   6.1590   1.2320   3.3950   1.3810 2.765000 1.851000 
1 1 1  -61    5   17 o   5.0570   1.0170   5.1980   1.4230   4.9160   1.4540 0.2821000 2.034000 
1 1 1  -61    5   18 o   6.4520   1.0540   7.4010   1.3830   5.5040   1.5900 1.897000 2.107000 
1 1 1  -61    5   19 o   7.1470   0.9402   6.2690   1.5580   8.0260   1.0520 -1.757000 1.880000 
1 1 1  -61    5   20 o   4.5290   1.1790   5.1860   1.7440   3.8720   1.5860 1.313000 2.357000 
1 1 1  -61    5   21 o   17.730   0.3896   17.790   0.5535   17.670   0.5483 0.1206000 0.7791000 
1 1 1  -61    5   22 o   9.6910   0.7200   8.8720   1.0260   10.510   1.0100 -1.639000 1.440000 
1 1 1  -61    5   23 f   15.330   0.4546   15.440   0.6319   15.220   0.6536 0.2145000 0.9091000 
1 1 1  -61    5   24 o   7.6880   0.9240   5.1620   1.5820   10.210   0.9560 -5.051000 1.848000 
1 1 1  -61    5   25 o   5.1000   1.0920   3.7660   1.5510   6.4340   1.5380 -2.667000 2.184000 
1 1 1  -61    5   26 o   4.4370   1.2950   4.0350   1.7280   4.8390   1.9300 -0.8043000 2.591000 
1 1 1  -61    5   27 o   3.0750   0.9915   3.1870   1.4310   2.9640   1.3730 0.2234000 1.983000 
1 1 1  -61    5   28 o   11.310   0.6244   11.470   0.8595   11.140   0.9059 0.3316000 1.249000 
1 1 1  -61    5   29 o   3.7700   1.0660   2.8130   1.3430   4.7270   1.6560 -1.914000 2.132000 
1 1 1  -61    7    1 o   7.1490   1.4820   5.4260   2.0240   8.8710   2.1660 -3.444000 2.965000 
1 1 1  -61    7    2 o   12.840   0.9299   12.350   1.2140   13.320   1.4090 -0.9667000 1.860000 
1 1 1  -61    7    3 o   11.540   1.0310   11.260   1.3210   11.820   1.5830 -0.5632000 2.062000 
1 1 1  -61    7    4 o   12.720   0.9441   13.340   1.1180   12.090   1.5220 1.257000 1.888000 
1 1 1  -61    7    5 o   14.590   0.7904   14.800   0.9939   14.380   1.2290 0.4166000 1.581000 
1 1 1  -61    7    6 o   14.930   0.7672   16.100   0.8927   13.770   1.2480 2.329000 1.534000 
1 1 1  -61    7    7 o   4.4230   1.2990   3.2630   1.5420   5.5840   2.0910 -2.322000 2.598000 
1 1 1  -61    7    8 o   8.8550   1.2200   9.3890   1.4640   8.3200   1.9530 1.069000 2.440000 
1 1 1  -61    7    9 o   13.750   1.0390  ?   ?    13.750   1.0390      ?      ? 
1 1 1  -61    7   10 o   5.4610   1.1930   7.3820   1.7440   3.5400   1.6280 3.842000 2.386000 
1 1 1  -61    7   11 o   5.7460   1.3400   5.5030   1.8860   5.9900   1.9050 -0.4872000 2.681000 
1 1 1  -61    7   12 o   14.070   0.6592   13.790   0.9192   14.340   0.9452 -0.5416000 1.318000 
1 1 1  -61    7   13 o   4.0240   1.2170   3.6930   1.6330   4.3550   1.8050 -0.6623000 2.434000 
1 1 1  -61    7   14 o   12.210   0.7488   11.360   1.0620   13.060   1.0560 -1.705000 1.498000 
1 1 1  -61    7   15 o   6.4250   0.8743   7.1930   0.9999   5.6580   1.4340 1.534000 1.749000 
1 1 1  -61    7   16 o   13.990   0.4412   14.320   0.6110   13.660   0.6367 0.6653000 0.8825000 
1 1 1  -61    7   17 o   7.8350   0.8164   7.9600   1.1410   7.7100   1.1680 0.2501000 1.633000 
1 1 1  -61    7   18 o   2.9180   0.9345   3.1340   1.3680   2.7020   1.2730 0.4321000 1.869000 
1 1 1  -61    7   19 o   8.1330   0.9549   7.5470   1.4850   8.7190   1.2010 -1.172000 1.910000 
1 1 1  -61    7   20 f   11.700   0.5317   11.160   0.7809   12.230   0.7218 -1.067000 1.063000 
1 1 1  -61    7   21 o   12.120   0.5386   12.980   0.7140   11.260   0.8065 1.728000 1.077000 
1 1 1  -61    7   22 o   12.170   0.5397   11.770   0.7722   12.570   0.7541 -0.7995000 1.079000 
1 1 1  -61    7   23 o   17.370   0.4158   17.220   0.5864   17.530   0.5896 -0.3041000 0.8315000 
1 1 1  -61    7   24 o   12.330   0.6397   12.450   0.8560   12.210   0.9509 0.2402000 1.279000 
1 1 1  -61    7   25 o   7.9560   0.8972   8.5810   1.1090   7.3300   1.4110 1.251000 1.794000 
1 1 1  -61    7   26 o   9.2390   0.8689   10.060   1.0590   8.4150   1.3780 1.648000 1.738000 
1 1 1  -61    7   27 o   4.5710   1.1920   4.3730   1.7000   4.7700   1.6720 -0.3973000 2.384000 
1 1 1  -61    7   28 o   2.4660   0.8502   2.4570   1.1990   2.4760   1.2060 -0.1958000E-01 1.700000 
1 1 1  -61    9    1 o   13.890   1.5040   15.890   1.5440   11.890   2.5820 3.997000 3.008000 
1 1 1  -61    9    2 o   15.070   1.3180   16.550   1.4350   13.600   2.2120 2.949000 2.637000 
1 1 1  -61    9    3 o   6.5400   1.8350   6.4140   2.5110   6.6660   2.6760 -0.2521000 3.670000 
1 1 1  -61    9    4 o   10.880   1.7210   9.8670   2.4310   11.900   2.4360 -2.033000 3.441000 
1 1 1  -61    9    5 o   6.8760   1.7030   8.0580   2.5670   5.6930   2.2390 2.365000 3.406000 
1 1 1  -61    9    6 o   6.0410   1.4670   4.5210   1.9230   7.5620   2.2160 -3.041000 2.934000 
1 1 1  -61    9    7 o   7.7220   1.3760   5.4110   2.0290   10.030   1.8580 -4.622000 2.751000 
1 1 1  -61    9    8 o   3.5850   1.1990   3.8280   1.7260   3.3410   1.6660 0.4866000 2.399000 
1 1 1  -61    9    9 o   6.4790   1.6090   6.1430   2.4810   6.8150   2.0490 -0.6723000 3.218000 
1 1 1  -61    9   10 o   18.540   0.8274   18.030   1.4020   19.050   0.8800 -1.013000 1.655000 
1 1 1  -61    9   11 o   6.0240   1.6220   4.8960   2.1940   7.1520   2.3890 -2.256000 3.244000 
1 1 1  -61    9   12 o   8.9770   1.6790   9.5310   2.3740   8.4230   2.3750 1.108000 3.359000 
1 1 1  -61    9   13 o   6.1290   1.6260   7.6270   2.5100   4.6300   2.0670 2.997000 3.251000 
1 1 1  -61    9   14 o   10.440   1.5380   8.8550   2.5020   12.020   1.7880 -3.163000 3.075000 
1 1 1  -61    9   15 o   5.8230   1.3490   4.8060   1.8870   6.8400   1.9270 -2.034000 2.697000 
1 1 1  -61    9   16 o   7.3710   0.7512   7.8840   1.0370   6.8570   1.0870 1.027000 1.502000 
1 1 1  -61    9   17 o   5.0430   1.0050   4.6890   1.4150   5.3960   1.4280 -0.7065000 2.010000 
1 1 1  -61    9   18 o   5.0050   1.0430   4.6190   1.4700   5.3910   1.4810 -0.7723000 2.087000 
1 1 1  -61    9   19 o   3.8350   1.1500   3.9910   1.6630   3.6780   1.5900 0.3134000 2.301000 
1 1 1  -61    9   20 o   3.3790   1.0220   3.1120   1.3790   3.6460   1.5090 -0.5340000 2.044000 
1 1 1  -61    9   21 o   4.8080   1.1940   4.8570   1.6610   4.7580   1.7150 0.9890000E-01 2.387000 
1 1 1  -61    9   22 o   4.2690   1.1580   4.7980   1.6740   3.7400   1.6000 1.059000 2.315000 
1 1 1  -61    9   23 o   10.260   0.6741   10.050   0.9608   10.460   0.9459 -0.4093000 1.348000 
1 1 1  -61    9   24 o   4.6120   1.1010   3.4260   1.4890   5.7990   1.6210 -2.373000 2.201000 
1 1 1  -61    9   25 o   2.7280   0.9155   2.4370   1.1840   3.0180   1.3960 -0.5812000 1.831000 
1 1 1  -61    9   26 o   3.3120   1.0230   3.9000   1.5650   2.7240   1.3180 1.176000 2.046000 
1 1 1  -61    9   27 o   6.7040   1.1650   6.8720   1.6040   6.5360   1.6890 0.3359000 2.329000 
1 1 1  -61   11    1 o   14.460   0.9511   13.700   1.2740   15.210   1.4120 -1.513000 1.902000 
1 1 1  -61   11    2 o   14.920   0.8864   15.500   1.0860   14.330   1.4010 1.177000 1.773000 
1 1 1  -61   11    3 o   5.3390   1.5100   5.5190   2.0980   5.1590   2.1730 0.3606000 3.021000 
1 1 1  -61   11    4 o   9.7620   1.3420   10.360   1.6120   9.1670   2.1460 1.190000 2.684000 
1 1 1  -61   11    5 o   5.2710   1.4870   4.3090   1.8730   6.2340   2.3110 -1.925000 2.975000 
1 1 1  -61   11    6 o   7.1320   1.5050   5.9870   2.0890   8.2780   2.1690 -2.291000 3.011000 
1 1 1  -61   11    7 o   8.2830   1.4240   7.0510   2.0270   9.5160   2.0020 -2.464000 2.849000 
1 1 1  -61   11    8 o   13.050   0.8687   12.120   1.2520   13.980   1.2040 -1.865000 1.737000 
1 1 1  -61   11    9 o   3.9770   1.2710   3.8900   1.7630   4.0650   1.8310 -0.1753000 2.542000 
1 1 1  -61   11   10 o   14.700   0.7440   15.210   0.9901   14.190   1.1110 1.017000 1.488000 
1 1 1  -61   11   11 o   6.1980   1.3700   4.7330   1.9080   7.6630   1.9660 -2.931000 2.740000 
1 1 1  -61   11   12 o   6.3980   1.4510   6.2950   2.0060   6.5020   2.0970 -0.2069000 2.902000 
1 1 1  -61   11   13 o   7.4680   1.2520   9.8350   1.5200   5.1000   1.9890 4.735000 2.503000 
1 1 1  -61   11   14 o   13.150   0.8197   13.680   1.0920   12.620   1.2220 1.058000 1.639000 
1 1 1  -61   11   15 o   10.210   0.8830   9.3470   1.6280   11.080   0.6847 -1.729000 1.766000 
1 1 1  -61   11   16 o   11.780   0.4651   11.770   0.6810   11.790   0.6337 -0.1245000E-01 0.9302000 
1 1 1  -61   11   17 o   10.890   0.5251   9.9980   0.7676   11.790   0.7168 -1.793000 1.050000 
1 1 1  -61   11   18 o   14.900   0.4480   14.620   0.6045   15.180   0.6615 -0.5523000 0.8961000 
1 1 1  -61   11   19 o   5.1040   1.3740   4.5790   1.8520   5.6280   2.0320 -1.049000 2.749000 
1 1 1  -61   11   20 o   3.8380   1.0470   2.7010   1.2840   4.9750   1.6550 -2.274000 2.094000 
1 1 1  -61   11   21 o   3.5320   1.0620   3.5060   1.4960   3.5590   1.5080 -0.5269000E-01 2.124000 
1 1 1  -61   11   22 o   9.7740   0.7151   10.450   0.9289   9.1010   1.0870 1.346000 1.430000 
1 1 1  -61   11   23 o   7.5550   0.9474   7.7450   1.2680   7.3650   1.4080 0.3797000 1.895000 
1 1 1  -61   11   24 o   11.130   0.6416   10.980   0.9022   11.280   0.9124 -0.2964000 1.283000 
1 1 1  -61   11   25 o   10.340   0.6965   9.9610   1.0090   10.710   0.9601 -0.7487000 1.393000 
1 1 1  -61   11   26 o   4.5150   1.1910   4.5320   1.6380   4.4980   1.7290 0.3379000E-01 2.382000 
1 1 1  -61   13    1 o   7.7820   1.0070   6.7980   1.6060   8.7650   1.2160 -1.967000 2.014000 
1 1 1  -61   13    2 o   4.1910   1.3560   3.5030   1.6740   4.8790   2.1340 -1.376000 2.712000 
1 1 1  -61   13    3 o   4.3800   1.3710   4.9670   2.0550   3.7940   1.8140 1.173000 2.741000 
1 1 1  -61   13    4 o   4.7890   1.4640   4.7500   2.0200   4.8270   2.1200 -0.7664000E-01 2.928000 
1 1 1  -61   13    5 o   7.9040   1.4480   9.6510   1.7490   6.1570   2.3090 3.493000 2.896000 
1 1 1  -61   13    6 f   7.1130   1.5260   5.5710   2.1020   8.6540   2.2120 -3.083000 3.051000 
1 1 1  -61   13    7 o   4.2650   1.4150   3.1680   1.5420   5.3620   2.3730 -2.194000 2.830000 
1 1 1  -61   13    8 o   14.660   0.8279   14.970   1.1100   14.340   1.2280 0.6261000 1.656000 
1 1 1  -61   13    9 o   3.7410   1.2260   3.8840   1.7700   3.5980   1.6970 0.2864000 2.453000 
1 1 1  -61   13   10 o   4.5090   1.3550   4.1600   1.8270   4.8580   2.0020 -0.6983000 2.710000 
1 1 1  -61   13   11 o   7.9430   1.3250   6.8390   1.9740   9.0460   1.7660 -2.207000 2.649000 
1 1 1  -61   13   12 o   11.260   1.0240   12.030   1.2640   10.490   1.6110 1.549000 2.047000 
1 1 1  -61   13   13 o   6.6890   1.7060   6.0700   2.2780   7.3090   2.5400 -1.239000 3.411000 
1 1 1  -61   13   14 o   5.0710   1.5400   5.0480   2.1380   5.0930   2.2170 -0.4560000E-01 3.080000 
1 1 1  -61   13   15 o   15.010   0.4338   15.190   0.5640   14.820   0.6592 0.3674000 0.8676000 
1 1 1  -61   13   16 o   7.5870   0.7365   8.0060   0.8675   7.1680   1.1900 0.8381000 1.473000 
1 1 1  -61   13   17 o   9.6160   0.6030   8.7610   0.8522   10.470   0.8534 -1.711000 1.206000 
1 1 1  -61   13   18 o   3.7240   1.0890   2.5380   1.2160   4.9090   1.8070 -2.371000 2.179000 
1 1 1  -61   13   19 o   3.3140   1.0850   3.4160   1.5640   3.2130   1.5040 0.2030000 2.170000 
1 1 1  -61   13   20 o   10.240   0.6451   9.3340   0.9622   11.140   0.8596 -1.809000 1.290000 
1 1 1  -61   13   21 o   5.0570   1.1520   5.2860   1.5930   4.8280   1.6650 0.4585000 2.304000 
1 1 1  -61   13   22 o   14.200   0.5027   14.220   0.7018   14.180   0.7200 0.4137000E-01 1.005000 
1 1 1  -61   13   23 o   5.3580   1.1670   5.3020   1.6240   5.4140   1.6760 -0.1118000 2.334000 
1 1 1  -61   13   24 o   3.9600   1.1100   3.4900   1.4970   4.4290   1.6410 -0.9393000 2.221000 
1 1 1  -61   13   25 o   2.6560   0.8985   2.8190   1.3250   2.4930   1.2140 0.3265000 1.797000 
1 1 1  -61   15    1 o   9.8270   0.6229   10.150   0.7790   9.5060   0.9722 0.6418000 1.246000 
1 1 1  -61   15    2 o   4.6540   1.0640   3.0420   1.4000   6.2650   1.6020 -3.223000 2.127000 
1 1 1  -61   15    3 o   4.3940   1.1560   4.1000   1.5300   4.6880   1.7330 -0.5886000 2.312000 
1 1 1  -61   15    4 o   4.9390   1.5790   4.4300   1.9580   5.4480   2.4770 -1.018000 3.157000 
1 1 1  -61   15    5 o   5.8830   1.5570   6.7050   2.1930   5.0620   2.2100 1.642000 3.114000 
1 1 1  -61   15    6 o   7.9450   1.6050   6.7460   2.2000   9.1430   2.3370 -2.397000 3.209000 
1 1 1  -61   15    7 o   14.700   1.1470   15.140   1.1450   14.260   1.9890 0.8884000 2.295000 
1 1 1  -61   15    8 o   8.8140   1.4300   9.1690   1.8740   8.4590   2.1620 0.7103000 2.861000 
1 1 1  -61   15    9 o   5.3810   1.4750   4.9120   2.0080   5.8500   2.1610 -0.9379000 2.950000 
1 1 1  -61   15   10 o   5.0790   1.3990   3.7840   1.7450   6.3750   2.1880 -2.591000 2.799000 
1 1 1  -61   15   11 o   9.4460   1.2380   10.800   1.4250   8.0890   2.0240 2.714000 2.475000 
1 1 1  -61   15   12 o   8.5160   1.3380   7.2460   2.0050   9.7860   1.7720 -2.540000 2.675000 
1 1 1  -61   15   13 o   2.6310   0.8547   2.6110   1.1740   2.6510   1.2430 -0.3977000E-01 1.709000 
1 1 1  -61   15   14 o   2.4270   0.8091   2.3740   1.1320   2.4800   1.1570 -0.1065000 1.618000 
1 1 1  -61   15   15 o   7.9330   0.6784   7.3870   0.9571   8.4780   0.9617 -1.091000 1.357000 
1 1 1  -61   15   16 o   7.0770   0.8438   6.3920   1.2560   7.7630   1.1270 -1.371000 1.688000 
1 1 1  -61   15   17 f   5.6330   1.1460   5.6740   1.4520   5.5910   1.7730 0.8246000E-01 2.291000 
1 1 1  -61   15   18 o   5.6320   1.2700   4.7590   1.8170   6.5050   1.7740 -1.746000 2.539000 
1 1 1  -61   15   19 o   3.4280   1.0430   3.4930   1.4740   3.3620   1.4760 0.1310000 2.086000 
1 1 1  -61   15   20 o   9.6790   0.7295   10.400   0.9218   8.9520   1.1310 1.452000 1.459000 
1 1 1  -61   15   21 o   10.130   0.7047   11.130   0.8765   9.1200   1.1040 2.011000 1.409000 
1 1 1  -61   15   22 o   6.4100   1.0760   5.6890   1.6230   7.1310   1.4130 -1.442000 2.152000 
1 1 1  -61   15   23 o   3.3210   1.0320   3.6270   1.5330   3.0140   1.3820 0.6131000 2.063000 
1 1 1  -61   15   24 f   2.1440   1.1100   2.1440   1.1100  ?   ?       ?      ? 
1 1 1  -61   17    1 o   4.4430   1.1230   4.5530   1.5600   4.3330   1.6150 0.2200000 2.245000 
1 1 1  -61   17    2 o   3.0140   0.9539   3.0700   1.3500   2.9580   1.3480 0.1119000 1.908000 
1 1 1  -61   17    3 o   4.2750   1.0040   2.9130   1.2960   5.6370   1.5350 -2.724000 2.009000 
1 1 1  -61   17    4 o   4.9860   1.0190   5.1670   1.3480   4.8040   1.5300 0.3633000 2.039000 
1 1 1  -61   17    5 o   4.5210   1.1090   5.3190   1.6840   3.7230   1.4440 1.596000 2.218000 
1 1 1  -61   17    6 f   7.1640   1.0410   7.2490   1.3550   7.0790   1.5810 0.1703000 2.082000 
1 1 1  -61   17    7 o   9.4340   0.8340   10.540   0.8381   8.3280   1.4420 2.212000 1.668000 
1 1 1  -61   17    8 o   8.5160   0.8137   9.3900   0.8879   7.6430   1.3640 1.747000 1.627000 
1 1 1  -61   17    9 o   7.8490   0.7921   7.3760   1.0830   8.3220   1.1560 -0.9467000 1.584000 
1 1 1  -61   17   10 o   6.4250   1.0090   6.3820   1.3020   6.4690   1.5410 -0.8750000E-01 2.017000 
1 1 1  -61   17   11 o   7.2780   0.7905   7.3170   1.1830   7.2400   1.0480 0.7737000E-01 1.581000 
1 1 1  -61   17   12 o   3.1390   0.9318   3.2900   1.3160   2.9880   1.3200 0.3018000 1.864000 
1 1 1  -61   17   13 o   6.6040   0.8546   6.8850   1.0630   6.3230   1.3380 0.5615000 1.709000 
1 1 1  -61   17   14 o   4.0880   1.0290   4.4590   1.4340   3.7180   1.4750 0.7406000 2.057000 
1 1 1  -61   17   15 o   2.9790   0.9422   3.0500   1.3340   2.9080   1.3310 0.1424000 1.884000 
1 1 1  -61   17   16 o   4.2550   1.2030   3.9680   1.6490   4.5410   1.7530 -0.5728000 2.407000 
1 1 1  -61   17   17 o   4.9760   1.0940   2.9370   1.3920   7.0140   1.6880 -4.077000 2.188000 
1 1 1  -61   17   18 o   4.1290   1.0860   4.8840   1.5920   3.3740   1.4790 1.509000 2.172000 
1 1 1  -61   17   19 o   3.1270   0.9735   3.7770   1.5320   2.4770   1.2020 1.300000 1.947000 
1 1 1  -61   17   20 o   3.4150   1.0340   3.9270   1.5670   2.9030   1.3510 1.024000 2.069000 
1 1 1  -61   17   21 o   2.8060   0.9471   3.0040   1.4190   2.6070   1.2540 0.3969000 1.894000 
1 1 1  -61   17   22 o   2.0400   0.7470   2.0010   1.0370   2.0800   1.0760 -0.7867000E-01 1.494000 
1 1 1  -61   19    1 o   3.8250   1.1420   2.9440   1.3840   4.7070   1.8180 -1.763000 2.284000 
1 1 1  -61   19    2 o   3.7940   1.1430   4.1210   1.6590   3.4660   1.5730 0.6550000 2.286000 
1 1 1  -61   19    3 o   5.0450   1.2430   5.1070   1.7150   4.9840   1.8000 0.1228000 2.486000 
1 1 1  -61   19    4 o   3.9490   1.0830   3.6380   1.4730   4.2610   1.5880 -0.6225000 2.166000 
1 1 1  -61   19    5 o   5.2130   1.0360   6.1970   1.3800   4.2290   1.5460 1.968000 2.073000 
1 1 1  -61   19    6 o   3.7410   1.0490   3.1510   1.3740   4.3310   1.5840 -1.180000 2.097000 
1 1 1  -61   19    7 o   4.3110   0.9806   5.6250   1.4240   2.9970   1.3490 2.628000 1.961000 
1 1 1  -61   19    8 o   4.4930   1.0290   5.3550   1.4360   3.6310   1.4730 1.724000 2.057000 
1 1 1  -61   19    9 o   3.4210   1.0090   3.3940   1.4070   3.4480   1.4470 -0.5478000E-01 2.018000 
1 1 1  -61   19   10 o   3.9650   1.0540   4.4250   1.5110   3.5060   1.4700 0.9187000 2.108000 
1 1 1  -61   19   11 o   6.1200   0.9828   5.7620   1.4170   6.4790   1.3620 -0.7178000 1.966000 
1 1 1  -61   19   12 o   4.6310   1.0700   5.2100   1.4840   4.0520   1.5410 1.158000 2.140000 
1 1 1  -61   19   13 o   5.5120   1.0510   6.8850   1.2360   4.1380   1.7010 2.747000 2.103000 
1 1 1  -61   19   14 o   4.0860   1.1640   4.2370   1.6510   3.9350   1.6400 0.3016000 2.327000 
1 1 1  -61   19   15 o   9.7790   0.7319   9.5330   1.1730   10.020   0.8755 -0.4922000 1.464000 
1 1 1  -61   19   16 o   4.3690   1.0460   5.6160   1.5580   3.1230   1.3960 2.493000 2.092000 
1 1 1  -61   19   17 o   2.8770   0.9407   2.7890   1.3040   2.9640   1.3560 -0.1751000 1.881000 
1 1 1  -61   19   18 o   3.7700   1.1130   3.8800   1.6270   3.6610   1.5200 0.2192000 2.226000 
1 1 1  -61   19   19 o   2.2880   0.8100   2.5360   1.2450   2.0390   1.0370 0.4962000 1.620000 
1 1 1  -61   21    1 o   2.8350   0.9546   2.5990   1.2670   3.0710   1.4290 -0.4723000 1.909000 
1 1 1  -61   21    2 o   3.4450   1.0120   4.6630   1.6910   2.2270   1.1130 2.437000 2.024000 
1 1 1  -61   21    3 o   3.8480   1.1190   4.2590   1.6420   3.4370   1.5210 0.8222000 2.238000 
1 1 1  -61   21    4 o   3.4720   1.0470   4.1330   1.6240   2.8110   1.3220 1.322000 2.094000 
1 1 1  -61   21    5 o   3.8930   1.0810   4.3880   1.5850   3.3990   1.4710 0.9893000 2.162000 
1 1 1  -61   21    6 o   2.9900   0.9676   2.8180   1.3370   3.1610   1.3990 -0.3434000 1.935000 
1 1 1  -61   21    7 o   4.8940   1.2270   4.8390   1.7230   4.9500   1.7480 -0.1110000 2.454000 
1 1 1  -61   21    8 o   6.5950   1.1580   7.0820   1.5700   6.1070   1.7030 0.9750000 2.316000 
1 1 1  -61   21    9 o   5.1870   1.2480   5.2270   1.7790   5.1460   1.7500 0.8140000E-01 2.495000 
1 1 1  -61   21   10 o   3.5050   1.0930   4.0810   1.7330   2.9290   1.3310 1.152000 2.185000 
1 1 1  -61   21   11 o   3.2600   1.0150   2.4990   1.2440   4.0210   1.6040 -1.522000 2.030000 
1 1 1  -61   21   12 o   4.1950   1.1380   4.2310   1.6150   4.1600   1.6040 0.7097000E-01 2.276000 
1 1 1  -61   21   13 o   2.5810   0.8776   2.7980   1.3170   2.3640   1.1610 0.4344000 1.755000 
1 1 1  -61   21   14 o   2.5850   0.8799   2.7770   1.3110   2.3930   1.1740 0.3838000 1.760000 
1 1 1  -61   21   15 o   2.4000   0.8473   2.0730   1.0410   2.7270   1.3370 -0.6539000 1.695000 
1 1 1  -61   23    1 o   1.9560   0.7096   2.0540   1.0550   1.8590   0.9494 0.1950000 1.419000 
1 1 1  -61   23    2 o   2.3720   0.8277   2.1990   1.0950   2.5440   1.2410 -0.3451000 1.655000 
1 1 1  -61   23    3 o   2.1860   0.7752   1.8420   0.9375   2.5300   1.2350 -0.6875000 1.550000 
1 1 1  -61   23    4 o   3.2630   1.0200   3.1470   1.4120   3.3790   1.4740 -0.2318000 2.041000 
1 1 1  -61   23    5 o   2.0410   0.7245   2.0350   1.0220   2.0470   1.0270 -0.1189000E-01 1.449000 
1 1 1  -61   23    6 o   2.6080   0.8777   2.4210   1.1750   2.7950   1.3040 -0.3742000 1.755000 
1 1 1  -61   23    7 o   3.3360   0.9602   4.5930   1.6150   2.0780   1.0400 2.515000 1.920000 
1 1 1  -61   23    8 o   3.3310   1.0400   2.8530   1.4060   3.8080   1.5330 -0.9548000 2.081000 
1 1 1  -61   23    9 o   1.8870   0.9815   1.8870   0.9815  ?   ?       ?      ? 
1 1 1  -60    0    1 o   2.9510   1.8670   2.9510   1.8670   2.9510   1.8670 0.000000 0.000000 
1 1 1  -60    0    2 o   7.1170   1.1940   7.1170   1.1940   7.1170   1.1940 0.000000 0.000000 
1 1 1  -60    0    3 o   13.170   0.5869   13.170   0.5869   13.170   0.5869 -0.000000 0.000000 
1 1 1  -60    0    4 o   11.200   0.6620   11.200   0.6620   11.200   0.6620 -0.000000 0.000000 
1 1 1  -60    0    5 o   7.6490   0.9525   7.6490   0.9525   7.6490   0.9525 0.000000 0.000000 
1 1 1  -60    0    6 o   19.050   0.4010   19.050   0.4010   19.050   0.4010 -0.000000 0.000000 
1 1 1  -60    0    7 o   5.0120   1.4860   5.0120   1.4860   5.0120   1.4860 0.000000 0.000000 
1 1 1  -60    0    8 o   2.6100   1.4990   2.6100   1.4990   2.6100   1.4990 0.000000 0.000000 
1 1 1  -60    0    9 o   10.880   0.5832   10.880   0.5832   10.880   0.5832 -0.000000 0.000000 
1 1 1  -60    0   10 o   18.000   0.4004   18.000   0.4004   18.000   0.4004 0.000000 0.000000 
1 1 1  -60    0   11 f   9.9830   0.6270   9.9830   0.6270   9.9830   0.6270 -0.000000 0.000000 
1 1 1  -60    0   12 o   25.660   0.4088   25.660   0.4088   25.660   0.4088 0.000000 0.000000 
1 1 1  -60    0   13 o   20.950   0.4048   20.950   0.4048   20.950   0.4048 0.000000 0.000000 
1 1 1  -60    0   14 o   15.460   0.5764   15.460   0.5764   15.460   0.5764 0.000000 0.000000 
1 1 1  -60    0   15 o   21.960   0.4325   21.960   0.4325   21.960   0.4325 0.000000 0.000000 
1 1 1  -60    0   16 o   16.850   0.4548   16.850   0.4548   16.850   0.4548 -0.000000 0.000000 
1 1 1  -60    0   17 o   5.7290   1.4370   5.7290   1.4370   5.7290   1.4370 -0.000000 0.000000 
1 1 1  -60    0   18 o   1.7280   1.2020   1.7280   1.2020   1.7280   1.2020 -0.000000 0.000000 
1 1 1  -60    0   19 o   15.480   0.5474   15.480   0.5474   15.480   0.5474 -0.000000 0.000000 
1 1 1  -60    0   20 o   6.3670   1.4920   6.3670   1.4920   6.3670   1.4920 -0.000000 0.000000 
1 1 1  -60    0   21 o   3.2170   1.7940   3.2170   1.7940   3.2170   1.7940 0.000000 0.000000 
1 1 1  -60    0   22 o   18.510   0.5327   18.510   0.5327   18.510   0.5327 -0.000000 0.000000 
1 1 1  -60    0   23 f   8.7780   1.1210   8.7780   1.1210   8.7780   1.1210 0.000000 0.000000 
1 1 1  -60    0   24 o   6.3150   2.2780   6.3150   2.2780   6.3150   2.2780 -0.000000 0.000000 
1 1 1  -60    0   25 o   34.170   0.4586   34.170   0.4586   34.170   0.4586 0.000000 0.000000 
1 1 1  -60    0   26 o   24.570   0.5001   24.570   0.5001   24.570   0.5001 0.000000 0.000000 
1 1 1  -60    0   27 o   5.1790   2.0310   5.1790   2.0310   5.1790   2.0310 0.000000 0.000000 
1 1 1  -60    0   28 o   1.9540   1.3670   1.9540   1.3670   1.9540   1.3670 0.000000 0.000000 
1 1 1  -60    0   29 o   2.2010   1.5750   2.2010   1.5750   2.2010   1.5750 -0.000000 0.000000 
1 1 1  -60    0   30 o   1.5040   1.0970   1.5040   1.0970   1.5040   1.0970 -0.000000 0.000000 
1 1 1  -60    2    1 o   19.770   0.3111   19.680   0.4508   19.850   0.4288 -0.1734000 0.6222000 
1 1 1  -60    2    2 o   3.7750   0.9671   3.1720   1.3570   4.3780   1.3780 -1.206000 1.934000 
1 1 1  -60    2    3 o   9.5650   0.5662   9.3350   0.8868   9.7960   0.7043 -0.4604000 1.132000 
1 1 1  -60    2    4 o   13.220   0.4828   14.230   0.6910   12.210   0.6745 2.014000 0.9656000 
1 1 1  -60    2    5 o   19.790   0.3654   19.460   0.5359   20.110   0.4968 -0.6574000 0.7308000 
1 1 1  -60    2    6 o   13.110   0.3838   12.730   0.4701   13.500   0.6069 -0.7697000 0.7677000 
1 1 1  -60    2    7 o   21.020   0.2959   20.650   0.3558   21.400   0.4728 -0.7466000 0.5917000 
1 1 1  -60    2    8 o   12.310   0.4133   11.920   0.4992   12.690   0.6589 -0.7639000 0.8267000 
1 1 1  -60    2    9 o   9.1420   0.6416   10.700   0.5530   7.5890   1.1580 3.107000 1.283000 
1 1 1  -60    2   10 o   11.020   0.5923   11.810   0.8046   10.220   0.8695 1.594000 1.185000 
1 1 1  -60    2   11 o   2.2580   0.7599   2.1520   1.0680   2.3630   1.0810 -0.2107000 1.520000 
1 1 1  -60    2   12 o   14.500   0.3128   14.500   0.4476   14.500   0.4370 0.3382000E-02 0.6255000 
1 1 1  -60    2   13 o   14.180   0.3356   14.380   0.4778   13.990   0.4715 0.3927000 0.6712000 
1 1 1  -60    2   14 o   22.200   0.2681   22.270   0.3838   22.130   0.3745 0.1425000 0.5362000 
1 1 1  -60    2   15 o   18.500   0.3000   18.110   0.4347   18.890   0.4134 -0.7842000 0.5999000 
1 1 1  -60    2   16 o   15.570   0.3974   15.680   0.5780   15.450   0.5457 0.2283000 0.7949000 
1 1 1  -60    2   17 o   8.1220   0.7021   8.8210   1.0020   7.4220   0.9837 1.399000 1.404000 
1 1 1  -60    2   18 o   9.0910   0.6021   9.0610   0.8687   9.1210   0.8340 -0.5968000E-01 1.204000 
1 1 1  -60    2   19 o   18.290   0.3431   18.460   0.4830   18.130   0.4875 0.3255000 0.6862000 
1 1 1  -60    2   20 o   3.1080   0.9394   2.4120   1.1570   3.8040   1.4800 -1.393000 1.879000 
1 1 1  -60    2   21 o   8.7290   0.7028   9.1240   0.9364   8.3340   1.0480 0.7895000 1.406000 
1 1 1  -60    2   22 o   4.0290   1.1330   3.5410   1.5590   4.5170   1.6450 -0.9759000 2.266000 
1 1 1  -60    2   23 o   6.2560   1.1830   6.6170   1.6800   5.8950   1.6650 0.7220000 2.365000 
1 1 1  -60    2   24 o   8.5750   0.8041   8.9460   1.0790   8.2040   1.1930 0.7423000 1.608000 
1 1 1  -60    2   25 o   11.490   0.7189   11.380   0.9982   11.600   1.0350 -0.2209000 1.438000 
1 1 1  -60    2   26 o   21.550   0.3770   21.610   0.5358   21.480   0.5304 0.1287000 0.7539000 
1 1 1  -60    2   27 o   5.4650   1.1730   4.8340   1.7100   6.0950   1.6070 -1.260000 2.346000 
1 1 1  -60    2   28 o   3.8580   1.1320   2.8040   1.3540   4.9130   1.8150 -2.109000 2.265000 
1 1 1  -60    2   29 o   2.8630   0.9813   2.7290   1.3340   2.9970   1.4390 -0.2675000 1.963000 
1 1 1  -60    2   30 o   2.5260   0.9043   2.6700   1.3420   2.3830   1.2120 0.2870000 1.809000 
1 1 1  -60    4    1 o   10.190   0.4878   9.8360   0.7997   10.540   0.5589 -0.7012000 0.9757000 
1 1 1  -60    4    2 o   8.1260   0.5821   8.5490   0.8339   7.7030   0.8123 0.8453000 1.164000 
1 1 1  -60    4    3 o   6.4860   1.4200   5.8410   1.9100   7.1310   2.1030 -1.290000 2.841000 
1 1 1  -60    4    4 o   15.640   0.6706   16.740   0.7854   14.550   1.0870 2.185000 1.341000 
1 1 1  -60    4    5 o   18.200   0.5746   18.980   0.7133   17.430   0.9011 1.548000 1.149000 
1 1 1  -60    4    6 o   13.760   0.7599   15.530   0.8200   11.980   1.2800 3.550000 1.520000 
1 1 1  -60    4    7 o   20.390   0.5121   20.540   0.6454   20.240   0.7952 0.3014000 1.024000 
1 1 1  -60    4    8 o   9.0000   1.0420   8.1570   1.4420   9.8440   1.5050 -1.687000 2.084000 
1 1 1  -60    4    9 f   14.370   0.7361   14.550   0.8165   14.190   1.2250 0.3638000 1.472000 
1 1 1  -60    4   10 o   4.9220   1.2430   5.3370   1.7690   4.5080   1.7470 0.8291000 2.486000 
1 1 1  -60    4   11 o   7.0390   1.0790   8.9540   1.2240   5.1230   1.7770 3.831000 2.158000 
1 1 1  -60    4   12 o   12.880   0.4815   12.930   0.8605   12.830   0.4322 0.1038000 0.9630000 
1 1 1  -60    4   13 o   13.950   0.4148   13.690   0.5664   14.210   0.6061 -0.5162000 0.8296000 
1 1 1  -60    4   14 o   7.4870   0.6870   8.3310   0.9191   6.6430   1.0210 1.688000 1.374000 
1 1 1  -60    4   15 o   21.130   0.2855   21.290   0.4107   20.970   0.3965 0.3204000 0.5709000 
1 1 1  -60    4   16 o   32.260   0.2792   32.150   0.3970   32.380   0.3925 -0.2210000 0.5583000 
1 1 1  -60    4   17 o   9.1800   0.7297   8.7550   1.1250   9.6050   0.9295 -0.8501000 1.459000 
1 1 1  -60    4   18 o   11.040   0.6060   10.630   0.9087   11.440   0.8019 -0.8163000 1.212000 
1 1 1  -60    4   19 o   8.3400   0.6950   8.5410   0.9606   8.1380   1.0050 0.4030000 1.390000 
1 1 1  -60    4   20 o   8.8440   0.7622   9.2270   1.1460   8.4610   1.0060 0.7659000 1.524000 
1 1 1  -60    4   21 o   14.880   0.5185   15.570   0.7436   14.190   0.7228 1.375000 1.037000 
1 1 1  -60    4   22 o   16.850   0.4163   16.640   0.5998   17.060   0.5774 -0.4203000 0.8326000 
1 1 1  -60    4   23 o   5.4000   1.1270   5.2940   1.5960   5.5050   1.5900 -0.2112000 2.253000 
1 1 1  -60    4   24 o   18.400   0.4036   18.410   0.5700   18.400   0.5714 0.9537000E-02 0.8071000 
1 1 1  -60    4   25 o   12.880   0.5999   13.440   0.7367   12.320   0.9470 1.114000 1.200000 
1 1 1  -60    4   26 o   3.3430   1.1090   3.5450   1.6200   3.1400   1.5150 0.4049000 2.218000 
1 1 1  -60    4   27 o   2.7380   0.9400   2.6320   1.2870   2.8440   1.3700 -0.2120000 1.880000 
1 1 1  -60    4   28 o   8.3860   0.8770   8.6170   1.1770   8.1550   1.3000 0.4618000 1.754000 
1 1 1  -60    4   29 o   2.3800   0.8285   2.3570   1.1600   2.4040   1.1830 -0.4706000E-01 1.657000 
1 1 1  -60    6    1 o   18.280   0.4782   18.020   0.8389   18.550   0.4594 -0.5315000 0.9565000 
1 1 1  -60    6    2 o   6.3470   1.3210   8.1080   1.7350   4.5860   1.9920 3.522000 2.642000 
1 1 1  -60    6    3 o   4.6190   1.3620   3.6140   1.6610   5.6250   2.1590 -2.012000 2.724000 
1 1 1  -60    6    4 o   7.2340   1.4120   5.9420   1.9630   8.5250   2.0300 -2.583000 2.824000 
1 1 1  -60    6    5 o   21.070   0.5675   21.650   0.7164   20.480   0.8803 1.163000 1.135000 
1 1 1  -60    6    6 o   10.290   1.0460   10.390   1.3030   10.200   1.6360 0.1844000 2.092000 
1 1 1  -60    6    7 o   5.4150   1.3570   4.1300   1.7630   6.7000   2.0630 -2.570000 2.714000 
1 1 1  -60    6    8 o   17.310   0.6044   17.420   0.7848   17.210   0.9194 0.2071000 1.209000 
1 1 1  -60    6    9 o   8.0740   1.1620   9.3450   1.3610   6.8040   1.8830 2.541000 2.323000 
1 1 1  -60    6   10 o   4.7190   1.2660   5.4260   1.8550   4.0110   1.7230 1.415000 2.532000 
1 1 1  -60    6   11 o   7.9460   1.1160   8.0500   1.5560   7.8420   1.6010 0.2078000 2.232000 
1 1 1  -60    6   12 o   15.700   0.5895   16.260   0.8039   15.140   0.8625 1.123000 1.179000 
1 1 1  -60    6   13 o   8.5570   1.0610   9.9410   1.2380   7.1730   1.7230 2.768000 2.121000 
1 1 1  -60    6   14 o   4.0820   0.9625   3.5450   1.2470   4.6190   1.4660 -1.073000 1.925000 
1 1 1  -60    6   15 o   11.910   0.4414   12.180   0.6468   11.640   0.6008 0.5461000 0.8828000 
1 1 1  -60    6   16 o   3.5370   0.9394   4.3970   1.4260   2.6770   1.2230 1.721000 1.879000 
1 1 1  -60    6   17 o   6.3240   0.8872   5.8700   1.3070   6.7790   1.2010 -0.9085000 1.774000 
1 1 1  -60    6   18 o   5.5450   1.2810   4.3940   1.8730   6.6960   1.7470 -2.303000 2.561000 
1 1 1  -60    6   19 o   3.2490   1.0500   3.0510   1.4900   3.4470   1.4790 -0.3963000 2.099000 
1 1 1  -60    6   20 o   10.710   0.5823   10.260   0.8577   11.160   0.7877 -0.9019000 1.165000 
1 1 1  -60    6   21 o   16.140   0.4144   16.550   0.5714   15.730   0.6005 0.8215000 0.8289000 
1 1 1  -60    6   22 o   17.970   0.3945   17.210   0.5762   18.730   0.5390 -1.517000 0.7890000 
1 1 1  -60    6   23 o   11.900   0.5710   11.410   0.8321   12.380   0.7821 -0.9667000 1.142000 
1 1 1  -60    6   24 o   6.9630   0.9911   6.9090   1.3670   7.0170   1.4360 -0.1080000 1.982000 
1 1 1  -60    6   25 o   7.6740   1.0410   7.7760   1.4000   7.5730   1.5430 0.2035000 2.083000 
1 1 1  -60    6   26 o   8.8730   0.9807   10.990   1.0050   6.7600   1.6840 4.225000 1.961000 
1 1 1  -60    6   27 o   2.3340   0.8149   2.0720   1.0390   2.5970   1.2560 -0.5248000 1.630000 
1 1 1  -60    6   28 o   3.7220   1.0970   3.4100   1.4930   4.0350   1.6090 -0.6252000 2.195000 
1 1 1  -60    6   29 o   3.1730   0.9963   3.8320   1.5740   2.5140   1.2220 1.318000 1.993000 
1 1 1  -60    8    1 o   23.340   0.5951   22.930   0.7596   23.740   0.9162 -0.8134000 1.190000 
1 1 1  -60    8    2 o   5.8470   1.4630   6.7920   2.0270   4.9010   2.1100 1.891000 2.925000 
1 1 1  -60    8    3 o   5.7410   1.5130   5.9150   2.0490   5.5660   2.2270 0.3483000 3.027000 
1 1 1  -60    8    4 o   10.690   1.1550   10.930   1.3880   10.450   1.8450 0.4808000 2.309000 
1 1 1  -60    8    5 o   12.360   0.9622   12.310   1.2090   12.400   1.4970 -0.8872000E-01 1.924000 
1 1 1  -60    8    6 o   10.580   1.1110   10.830   1.3550   10.330   1.7620 0.5023000 2.223000 
1 1 1  -60    8    7 o   7.3880   1.3590   8.9700   1.6350   5.8070   2.1700 3.163000 2.717000 
1 1 1  -60    8    8 f   3.8040   1.2580   3.7080   1.6820   3.8990   1.8710 -0.1912000 2.516000 
1 1 1  -60    8    9 o   5.4250   1.3860   5.5670   1.9440   5.2820   1.9760 0.2849000 2.772000 
1 1 1  -60    8   10 o   18.960   0.5643   19.400   0.7576   18.530   0.8366 0.8704000 1.129000 
1 1 1  -60    8   11 o   13.150   0.7639   12.680   1.0720   13.620   1.0880 -0.9384000 1.528000 
1 1 1  -60    8   12 o   6.2290   1.3320   7.1100   1.7990   5.3480   1.9630 1.762000 2.663000 
1 1 1  -60    8   13 o   6.9100   1.3200   6.1840   1.8930   7.6360   1.8410 -1.452000 2.641000 
1 1 1  -60    8   14 o   12.040   1.2830   13.090   1.7250   10.980   1.9000 2.111000 2.566000 
1 1 1  -60    8   15 o   10.580   0.5922   11.190   0.7355   9.9650   0.9284 1.225000 1.184000 
1 1 1  -60    8   16 o   15.100   0.4072   14.810   0.5954   15.380   0.5557 -0.5734000 0.8144000 
1 1 1  -60    8   17 o   13.380   0.4263   13.320   0.6080   13.440   0.5977 -0.1203000 0.8526000 
1 1 1  -60    8   18 o   13.810   0.4228   14.240   0.5831   13.380   0.6123 0.8598000 0.8455000 
1 1 1  -60    8   19 o   4.7200   1.1480   6.0680   1.7330   3.3730   1.5080 2.694000 2.297000 
1 1 1  -60    8   20 o   4.3990   1.0890   4.6800   1.5400   4.1190   1.5390 0.5605000 2.177000 
1 1 1  -60    8   21 o   3.6440   1.0620   3.7480   1.5230   3.5400   1.4810 0.2085000 2.124000 
1 1 1  -60    8   22 o   6.2910   1.0390   6.5740   1.3910   6.0080   1.5430 0.5659000 2.078000 
1 1 1  -60    8   23 o   7.3160   1.0530   7.3530   1.4300   7.2800   1.5470 0.7261000E-01 2.106000 
1 1 1  -60    8   24 o   3.7930   1.1070   3.8290   1.5580   3.7570   1.5720 0.7156000E-01 2.214000 
1 1 1  -60    8   25 o   9.7160   0.7212   8.9410   1.0760   10.490   0.9606 -1.551000 1.442000 
1 1 1  -60    8   26 o   2.8170   0.9535   2.6080   1.2660   3.0270   1.4260 -0.4192000 1.907000 
1 1 1  -60    8   27 o   2.9810   0.9674   2.3140   1.1520   3.6490   1.5540 -1.336000 1.935000 
1 1 1  -60    8   28 o   2.7080   0.9109   2.3780   1.1670   3.0370   1.3980 -0.6584000 1.822000 
1 1 1  -60   10    1 o   24.200   0.6168   23.880   0.7954   24.510   0.9429 -0.6288000 1.234000 
1 1 1  -60   10    2 o   12.830   1.3820   13.710   1.2140   11.960   2.4830 1.755000 2.764000 
1 1 1  -60   10    3 o   8.4620   1.8680   9.6150   2.4900   7.3100   2.7850 2.304000 3.736000 
1 1 1  -60   10    4 o   5.6160   1.7190   5.9520   2.4550   5.2800   2.4080 0.6725000 3.439000 
1 1 1  -60   10    5 o   10.360   1.7860   10.690   2.2480   10.020   2.7760 0.6705000 3.573000 
1 1 1  -60   10    6 o   7.7430   1.9170   8.3430   2.6250   7.1420   2.7930 1.201000 3.833000 
1 1 1  -60   10    7 o   4.6400   1.5340   4.9300   2.2300   4.3500   2.1060 0.5803000 3.068000 
1 1 1  -60   10    8 f   10.140   1.6670   10.530   2.3740   9.7540   2.3420 0.7709000 3.334000 
1 1 1  -60   10    9 f   6.9500   1.7540   6.3730   2.5190   7.5260   2.4400 -1.152000 3.507000 
1 1 1  -60   10   10 o   4.9520   1.5650   5.4060   2.3440   4.4990   2.0740 0.9069000 3.129000 
1 1 1  -60   10   11 o   16.220   0.8342   15.860   0.9257   16.590   1.3880 -0.7244000 1.668000 
1 1 1  -60   10   12 o   3.6860   1.1950   3.0090   1.4590   4.3630   1.8930 -1.353000 2.390000 
1 1 1  -60   10   13 o   3.7710   1.1990   4.2560   1.8170   3.2860   1.5640 0.9705000 2.398000 
1 1 1  -60   10   14 o   4.0220   1.2450   4.3810   1.8330   3.6630   1.6830 0.7182000 2.489000 
1 1 1  -60   10   15 o   5.9550   1.0990   4.8210   1.9030   7.0890   1.0990 -2.267000 2.197000 
1 1 1  -60   10   16 o   9.9240   0.5539   10.910   0.7323   8.9330   0.8311 1.981000 1.108000 
1 1 1  -60   10   17 o   13.560   0.4159   13.490   0.5735   13.620   0.6024 -0.1367000 0.8317000 
1 1 1  -60   10   18 o   5.3590   1.0310   5.7360   1.3930   4.9810   1.5200 0.7550000 2.062000 
1 1 1  -60   10   19 o   7.7050   1.0650   7.8020   1.4870   7.6080   1.5250 0.1939000 2.130000 
1 1 1  -60   10   20 o   5.7670   1.0340   3.4920   1.6090   8.0420   1.2980 -4.550000 2.067000 
1 1 1  -60   10   21 o   3.4290   1.0580   2.7900   1.3230   4.0680   1.6520 -1.278000 2.116000 
1 1 1  -60   10   22 o   7.9440   0.8766   8.4410   1.1300   7.4460   1.3400 0.9947000 1.753000 
1 1 1  -60   10   23 o   5.9610   1.0070   8.0470   1.2410   3.8760   1.5860 4.171000 2.013000 
1 1 1  -60   10   24 o   8.6980   0.8417   7.9330   1.2580   9.4630   1.1190 -1.530000 1.683000 
1 1 1  -60   10   25 o   8.9020   0.8070   8.8260   1.0990   8.9790   1.1820 -0.1525000 1.614000 
1 1 1  -60   10   26 o   12.710   0.6495   12.460   0.8956   12.950   0.9409 -0.4937000 1.299000 
1 1 1  -60   10   27 o   2.2290   0.7873   2.0770   1.0490   2.3810   1.1750 -0.3048000 1.575000 
1 1 1  -60   12    1 o   4.8660   0.8853   6.2960   1.0030   3.4360   1.4590 2.860000 1.771000 
1 1 1  -60   12    2 o   10.610   1.2840   7.8910   2.0540   13.340   1.5420 -5.445000 2.569000 
1 1 1  -60   12    3 o   6.3840   1.5270   4.6730   1.9920   8.0950   2.3140 -3.422000 3.053000 
1 1 1  -60   12    4 o   13.380   1.0180   14.110   1.2130   12.650   1.6360 1.464000 2.036000 
1 1 1  -60   12    5 o   6.4590   1.5750   5.5940   2.1120   7.3240   2.3380 -1.730000 3.150000 
1 1 1  -60   12    6 o   5.6010   1.5200   4.8080   2.0010   6.3940   2.2880 -1.586000 3.040000 
1 1 1  -60   12    7 o   6.5780   1.3740   8.8420   1.8290   4.3140   2.0520 4.528000 2.749000 
1 1 1  -60   12    8 o   9.7450   1.2260   7.7070   1.9950   11.780   1.4260 -4.075000 2.453000 
1 1 1  -60   12    9 o   16.500   0.7021   17.250   0.9360   15.750   1.0470 1.508000 1.404000 
1 1 1  -60   12   10 o   4.6040   1.3600   4.4500   1.8810   4.7580   1.9650 -0.3080000 2.721000 
1 1 1  -60   12   11 o   9.4020   1.1720   7.5840   1.8700   11.220   1.4120 -3.636000 2.344000 
1 1 1  -60   12   12 o   15.350   0.7218   15.420   0.9655   15.280   1.0730 0.1351000 1.444000 
1 1 1  -60   12   13 o   8.2240   1.3020   8.3160   1.7840   8.1320   1.8980 0.1840000 2.605000 
1 1 1  -60   12   14 o   5.1780   1.4120   4.9470   1.9560   5.4090   2.0370 -0.4622000 2.824000 
1 1 1  -60   12   15 o   9.1960   0.6232   9.4390   0.7978   8.9520   0.9576 0.4875000 1.246000 
1 1 1  -60   12   16 o   4.7080   1.0470   4.8040   1.4010   4.6130   1.5550 0.1919000 2.093000 
1 1 1  -60   12   17 o   2.7270   0.9052   2.7470   1.2760   2.7070   1.2850 0.4011000E-01 1.810000 
1 1 1  -60   12   18 o   6.5760   1.1530   6.8190   1.2150   6.3330   1.9590 0.4864000 2.305000 
1 1 1  -60   12   19 o   11.090   0.7685   11.420   1.0320   10.750   1.1390 0.6643000 1.537000 
1 1 1  -60   12   20 o   8.3690   0.8235   7.1410   1.3060   9.5970   1.0030 -2.456000 1.647000 
1 1 1  -60   12   21 o   3.7950   1.0800   4.3700   1.6050   3.2210   1.4470 1.149000 2.161000 
1 1 1  -60   12   22 o   3.8140   1.1040   3.8470   1.5500   3.7810   1.5720 0.6598000E-01 2.208000 
1 1 1  -60   12   23 o   4.8540   1.1660   4.3770   1.6320   5.3320   1.6650 -0.9548000 2.331000 
1 1 1  -60   12   24 o   5.2210   1.1270   6.3110   1.5530   4.1310   1.6340 2.180000 2.254000 
1 1 1  -60   12   25 o   8.1940   0.8883   7.9770   1.2640   8.4120   1.2480 -0.4350000 1.777000 
1 1 1  -60   12   26 o   2.9180   0.9790   3.2380   1.4880   2.5980   1.2730 0.6406000 1.958000 
1 1 1  -60   14    1 o   13.040   0.4603   12.630   0.6427   13.450   0.6590 -0.8202000 0.9206000 
1 1 1  -60   14    2 o   6.9710   1.4380   8.0650   1.2200   5.8770   2.6050 2.188000 2.876000 
1 1 1  -60   14    3 o   6.3950   1.8080   7.0890   2.5830   5.7000   2.5290 1.389000 3.616000 
1 1 1  -60   14    4 o   8.7160   1.8990   7.4310   2.5900  10.0000   2.7780 -2.570000 3.798000 
1 1 1  -60   14    5 o   5.8740   1.6830   6.8130   2.4520   4.9360   2.3050 1.878000 3.366000 
1 1 1  -60   14    6 o   5.0700   1.5610   6.0200   2.3860   4.1210   2.0120 1.899000 3.121000 
1 1 1  -60   14    7 o   6.0630   1.6680   7.0590   2.4040   5.0680   2.3140 1.991000 3.337000 
1 1 1  -60   14    8 o   6.3500   1.6510   7.7900   2.3930   4.9100   2.2750 2.880000 3.302000 
1 1 1  -60   14    9 o   4.3300   1.4350   4.2120   1.9500   4.4490   2.1060 -0.2367000 2.870000 
1 1 1  -60   14   10 o   4.7500   1.4900   5.3800   2.2230   4.1200   1.9860 1.260000 2.980000 
1 1 1  -60   14   11 o   9.6380   1.5140   10.270   1.8600   9.0010   2.3890 1.273000 3.027000 
1 1 1  -60   14   12 o   10.960   1.4300   11.010   1.7830   10.900   2.2380 0.1112000 2.861000 
1 1 1  -60   14   13 o   17.360   0.6529   17.260   1.1880   17.460   0.5413 -0.2084000 1.306000 
1 1 1  -60   14   14 o   6.4970   0.8884   6.2630   1.1820   6.7310   1.3260 -0.4683000 1.777000 
1 1 1  -60   14   15 o   5.2800   0.9301   5.7980   1.1540   4.7620   1.4590 1.035000 1.860000 
1 1 1  -60   14   16 o   10.570   0.5382   10.440   0.6826   10.690   0.8323 -0.2474000 1.076000 
1 1 1  -60   14   17 o   5.1990   1.0090   6.0630   1.2720   4.3350   1.5680 1.728000 2.019000 
1 1 1  -60   14   18 o   3.5850   1.1240   3.5950   1.5810   3.5750   1.5970 0.2014000E-01 2.247000 
1 1 1  -60   14   19 o   4.2440   1.1090   4.7090   1.5920   3.7780   1.5460 0.9313000 2.219000 
1 1 1  -60   14   20 o   9.4140   0.7466   9.8000   0.9828   9.0270   1.1240 0.7728000 1.493000 
1 1 1  -60   14   21 o   6.6430   1.0500   8.0760   1.2460   5.2090   1.6910 2.867000 2.100000 
1 1 1  -60   14   22 o   3.5750   1.0630   2.8780   1.3440   4.2730   1.6480 -1.394000 2.127000 
1 1 1  -60   14   23 o   6.8240   1.0250   7.0010   1.4130   6.6470   1.4860 0.3544000 2.050000 
1 1 1  -60   14   24 o   3.4990   1.0570   2.9400   1.3600   4.0580   1.6170 -1.118000 2.113000 
1 1 1  -60   14   25 o   2.7430   0.9208   2.8220   1.3290   2.6630   1.2750 0.1592000 1.842000 
1 1 1  -60   16    1 o   11.680   0.6514   12.220   0.6983   11.140   1.1000 1.086000 1.303000 
1 1 1  -60   16    2 o   8.1900   0.7208   8.2890   0.9368   8.0920   1.0960 0.1966000 1.442000 
1 1 1  -60   16    3 o   6.7330   0.8768   8.0470   0.8803   5.4180   1.5170 2.628000 1.754000 
1 1 1  -60   16    4 o   8.1070   0.8199   7.7680   1.3420   8.4460   0.9429 -0.6788000 1.640000 
1 1 1  -60   16    5 o   5.8050   1.1140   6.5130   1.4200   5.0980   1.7170 1.415000 2.228000 
1 1 1  -60   16    6 o   8.2560   1.1970   8.5950   2.0360   7.9180   1.2600 0.6773000 2.395000 
1 1 1  -60   16    7 o   15.080   0.6726   13.730   1.2750   16.430   0.4275 -2.700000 1.345000 
1 1 1  -60   16    8 o   15.340   0.8472   15.200   1.1420   15.490   1.2520 -0.2921000 1.694000 
1 1 1  -60   16    9 o   11.530   0.8565   10.620   1.5480   12.440   0.7332 -1.820000 1.713000 
1 1 1  -60   16   10 o   7.9350   1.1710   7.6630   2.0390   8.2080   1.1520 -0.5450000 2.342000 
1 1 1  -60   16   11 o   14.740   0.4389   15.020   0.5350   14.450   0.6958 0.5652000 0.8777000 
1 1 1  -60   16   12 o   13.770   0.4215   13.740   0.6141   13.800   0.5776 -0.6305000E-01 0.8431000 
1 1 1  -60   16   13 o   4.4780   1.0060   4.4620   1.3490   4.4940   1.4920 -0.3246000E-01 2.012000 
1 1 1  -60   16   14 o   2.3870   0.8065   2.3870   1.1250   2.3860   1.1550 0.6025000E-03 1.613000 
1 1 1  -60   16   15 o   14.160   0.4398   15.160   0.5388   13.160   0.6954 1.994000 0.8797000 
1 1 1  -60   16   16 o   5.2190   1.1150   5.9510   1.3890   4.4870   1.7450 1.464000 2.230000 
1 1 1  -60   16   17 o   7.4470   1.1360   7.0660   1.6420   7.8280   1.5690 -0.7622000 2.271000 
1 1 1  -60   16   18 o   9.3200   0.7378   8.8300   1.0420   9.8100   1.0450 -0.9795000 1.476000 
1 1 1  -60   16   19 o   6.9840   1.0140   5.9210   1.5390   8.0480   1.3200 -2.127000 2.027000 
1 1 1  -60   16   20 o   5.9610   1.1490   7.0540   1.5510   4.8680   1.6960 2.186000 2.298000 
1 1 1  -60   16   21 o   3.0660   0.9939   3.2080   1.4430   2.9240   1.3670 0.2842000 1.988000 
1 1 1  -60   16   22 f   3.8550   1.1140   3.8210   1.5670   3.8900   1.5850 -0.6836000E-01 2.229000 
1 1 1  -60   16   23 o   4.8450   1.1760   5.0000   1.6680   4.6900   1.6580 0.3097000 2.352000 
1 1 1  -60   18    1 o   4.7000   1.1690   5.7800   1.6930   3.6210   1.6110 2.160000 2.337000 
1 1 1  -60   18    2 o   10.310   0.7220   10.290   0.8323   10.330   1.1800 -0.3768000E-01 1.444000 
1 1 1  -60   18    3 o   5.8660   1.0320   5.0310   1.4930   6.7020   1.4240 -1.670000 2.064000 
1 1 1  -60   18    4 o   8.5220   0.7277   8.0020   1.0150   9.0410   1.0430 -1.039000 1.455000 
1 1 1  -60   18    5 o   10.760   0.5567   11.090   0.7351   10.420   0.8362 0.6751000 1.113000 
1 1 1  -60   18    6 o   15.900   0.3978   16.110   0.5164   15.680   0.6052 0.4227000 0.7956000 
1 1 1  -60   18    7 o   10.850   0.5460   11.430   0.6863   10.280   0.8495 1.144000 1.092000 
1 1 1  -60   18    8 o   15.190   0.3942   15.530   0.5164   14.850   0.5957 0.6848000 0.7884000 
1 1 1  -60   18    9 o   16.980   0.3698   17.410   0.4823   16.550   0.5606 0.8675000 0.7395000 
1 1 1  -60   18   10 o   5.7160   1.0030   6.0810   1.3290   5.3520   1.5030 0.7285000 2.007000 
1 1 1  -60   18   11 o   4.7100   0.9223   6.3750   1.2590   3.0450   1.3480 3.330000 1.845000 
1 1 1  -60   18   12 o   6.4380   0.9261   7.6800   1.0490   5.1960   1.5270 2.484000 1.852000 
1 1 1  -60   18   13 o   6.1770   0.9728   7.0900   1.1840   5.2640   1.5440 1.826000 1.946000 
1 1 1  -60   18   14 o   6.7340   1.0210   6.7260   1.2660   6.7410   1.6020 -0.1478000E-01 2.042000 
1 1 1  -60   18   15 o   3.9990   1.1600   4.5690   1.7250   3.4290   1.5500 1.140000 2.319000 
1 1 1  -60   18   16 o   5.3230   1.1210   5.6520   1.5100   4.9940   1.6580 0.6580000 2.242000 
1 1 1  -60   18   17 o   4.7600   1.1550   4.7970   1.6160   4.7240   1.6510 0.7299000E-01 2.310000 
1 1 1  -60   18   18 o   4.6650   1.1690   4.8750   1.6620   4.4550   1.6440 0.4202000 2.338000 
1 1 1  -60   18   19 o   4.0980   1.1200   3.4130   1.4970   4.7820   1.6660 -1.369000 2.240000 
1 1 1  -60   18   20 o   3.4330   1.0560   3.0120   1.3930   3.8540   1.5880 -0.8422000 2.113000 
1 1 1  -60   18   21 o   2.1760   0.7754   2.3900   1.1860   1.9630   0.9996 0.4274000 1.551000 
1 1 1  -60   20    1 o   5.2840   1.1780   4.7390   1.6640   5.8280   1.6670 -1.089000 2.355000 
1 1 1  -60   20    2 o   9.2920   0.7584   9.1690   1.0620   9.4150   1.0830 -0.2456000 1.517000 
1 1 1  -60   20    3 o   5.9010   1.1750   5.7230   1.7460   6.0800   1.5740 -0.3572000 2.351000 
1 1 1  -60   20    4 o   4.0550   1.1760   4.4740   1.7270   3.6370   1.5960 0.8373000 2.352000 
1 1 1  -60   20    5 o   5.7170   1.2470   5.8850   1.7310   5.5500   1.7940 0.3354000 2.493000 
1 1 1  -60   20    6 o   3.7530   1.1470   3.5900   1.5550   3.9160   1.6870 -0.3267000 2.294000 
1 1 1  -60   20    7 o   3.1930   1.0320   3.5420   1.5530   2.8440   1.3580 0.6984000 2.063000 
1 1 1  -60   20    8 o   8.1570   0.9936   8.0690   1.3990   8.2440   1.4110 -0.1747000 1.987000 
1 1 1  -60   20    9 o   6.0240   1.2260   6.2600   1.6720   5.7880   1.7950 0.4724000 2.453000 
1 1 1  -60   20   10 o   3.5020   1.1030   3.4150   1.5250   3.5900   1.5950 -0.1747000 2.207000 
1 1 1  -60   20   11 o   4.8050   1.2310   5.2830   1.7310   4.3280   1.7520 0.9551000 2.463000 
1 1 1  -60   20   12 o   6.7010   1.1770   7.0260   1.5580   6.3760   1.7650 0.6496000 2.354000 
1 1 1  -60   20   13 o   2.6850   0.8839   1.9910   0.9999   3.3790   1.4580 -1.387000 1.768000 
1 1 1  -60   20   14 o   4.1190   1.0830   4.6920   1.5760   3.5460   1.4860 1.146000 2.166000 
1 1 1  -60   20   15 o   4.5850   1.0500   5.9560   1.5450   3.2140   1.4220 2.742000 2.100000 
1 1 1  -60   20   16 o   3.1240   1.0120   3.5630   1.5590   2.6850   1.2900 0.8787000 2.023000 
1 1 1  -60   20   17 o   1.7300   0.6281   1.7660   0.9057   1.6930   0.8705 0.7234000E-01 1.256000 
1 1 1  -60   20   18 o   3.5290   1.0730   4.3840   1.7120   2.6740   1.2940 1.711000 2.146000 
1 1 1  -60   22    1 o   3.1750   1.0310   3.4890   1.5320   2.8610   1.3810 0.6289000 2.062000 
1 1 1  -60   22    2 o   3.2870   1.0350   4.0700   1.6630   2.5040   1.2320 1.566000 2.069000 
1 1 1  -60   22    3 o   4.5020   1.2010   4.5520   1.6980   4.4510   1.6980 0.1008000 2.401000 
1 1 1  -60   22    4 o   2.7540   0.9306   2.7220   1.3040   2.7860   1.3280 -0.6369000E-01 1.861000 
1 1 1  -60   22    5 o   2.8930   0.9605   2.9190   1.3650   2.8680   1.3510 0.5076000E-01 1.921000 
1 1 1  -60   22    6 o   2.6630   0.9080   2.6920   1.2880   2.6340   1.2800 0.5732000E-01 1.816000 
1 1 1  -60   22    7 o   2.9420   0.9688   2.5660   1.2470   3.3180   1.4830 -0.7520000 1.938000 
1 1 1  -60   22    8 o   3.5620   1.0960   3.7420   1.5950   3.3830   1.5040 0.3586000 2.192000 
1 1 1  -60   22    9 o   4.4820   1.1910   4.6230   1.7110   4.3400   1.6580 0.2824000 2.383000 
1 1 1  -60   22   10 o   3.6520   1.1030   3.7540   1.5840   3.5500   1.5360 0.2043000 2.207000 
1 1 1  -60   22   11 o   2.5210   0.8699   2.8140   1.3380   2.2270   1.1130 0.5872000 1.740000 
1 1 1  -60   22   12 o   2.7780   0.9200   2.9310   1.3490   2.6260   1.2520 0.3053000 1.840000 
1 1 1  -60   22   13 o   2.3900   0.8214   2.0290   1.0180   2.7510   1.2900 -0.7222000 1.643000 
1 1 1  -60   22   14 f   2.2200   0.7871   2.2300   1.1170   2.2100   1.1090 0.1964000E-01 1.574000 
1 1 1  -59    1    1 o   15.690   0.4249   15.640   0.6377   15.730   0.5616 -0.9715000E-01 0.8497000 
1 1 1  -59    1    2 o   5.7030   0.9963   4.2640   1.6100   7.1430   1.1740 -2.879000 1.993000 
1 1 1  -59    1    3 o   12.720   0.4866   12.300   0.7576   13.140   0.6109 -0.8402000 0.9732000 
1 1 1  -59    1    4 o   8.4570   0.6186   7.7850   0.9777   9.1290   0.7582 -1.344000 1.237000 
1 1 1  -59    1    5 o   13.600   0.3629   13.800   0.5221   13.400   0.5041 0.3995000 0.7257000 
1 1 1  -59    1    6 o   14.250   0.3431   14.550   0.4953   13.960   0.4749 0.5926000 0.6861000 
1 1 1  -59    1    7 o   17.840   0.3206   18.170   0.5017   17.500   0.3994 0.6652000 0.6412000 
1 1 1  -59    1    8 o   3.7950   0.9430   3.2290   1.3830   4.3620   1.2820 -1.132000 1.886000 
1 1 1  -59    1    9 o   8.1580   0.5215   8.0280   0.7694   8.2880   0.7043 -0.2603000 1.043000 
1 1 1  -59    1   10 o   4.0030   0.8731   3.2620   1.2900   4.7440   1.1770 -1.482000 1.746000 
1 1 1  -59    1   11 o   18.360   0.2791   18.510   0.4130   18.200   0.3755 0.3061000 0.5582000 
1 1 1  -59    1   12 o   27.640   0.2799   27.780   0.3932   27.500   0.3983 0.2791000 0.5597000 
1 1 1  -59    1   13 o   17.910   0.3098   18.070   0.4373   17.750   0.4389 0.3247000 0.6196000 
1 1 1  -59    1   14 o   1.9780   0.6838   2.0650   1.0010   1.8910   0.9322 0.1739000 1.368000 
1 1 1  -59    1   15 o   19.410   0.3251   19.720   0.4650   19.100   0.4545 0.6168000 0.6502000 
1 1 1  -59    1   16 o   21.190   0.3026   21.180   0.4599   21.200   0.3935 -0.2131000E-01 0.6052000 
1 1 1  -59    1   17 o   14.170   0.3753   13.450   0.5542   14.890   0.5063 -1.435000 0.7506000 
1 1 1  -59    1   18 o   2.8580   0.8968   3.0770   1.3250   2.6390   1.2080 0.4376000 1.794000 
1 1 1  -59    1   19 f   3.0880   0.9498   3.2740   1.3830   2.9020   1.3020 0.3722000 1.900000 
1 1 1  -59    1   20 o   19.070   0.3389   19.220   0.4757   18.920   0.4830 0.2999000 0.6779000 
1 1 1  -59    1   21 o   17.540   0.3696   17.790   0.5124   17.290   0.5329 0.5039000 0.7393000 
1 1 1  -59    1   22 o   3.6940   1.0650   3.6270   1.4980   3.7610   1.5150 -0.1337000 2.131000 
1 1 1  -59    1   23 o   5.5320   1.1590   6.8360   1.6340   4.2290   1.6440 2.607000 2.318000 
1 1 1  -59    1   24 o   17.580   0.5267   17.770   0.6412   17.390   0.8358 0.3764000 1.053000 
1 1 1  -59    1   25 o   12.650   0.6026   12.230   0.9151   13.070   0.7843 -0.8378000 1.205000 
1 1 1  -59    1   26 o   20.130   0.3952   19.730   0.5682   20.520   0.5496 -0.7949000 0.7905000 
1 1 1  -59    1   27 o   3.0540   0.9949   2.6440   1.2770   3.4650   1.5260 -0.8206000 1.990000 
1 1 1  -59    1   28 o   10.700   0.8262   11.740   1.0480   9.6600   1.2780 2.083000 1.652000 
1 1 1  -59    1   29 o   2.8360   0.9707   2.7610   1.3430   2.9110   1.4020 -0.1504000 1.941000 
1 1 1  -59    1   30 o   4.2930   1.1670   4.3890   1.6630   4.1960   1.6370 0.1932000 2.334000 
1 1 1  -59    3    1 o   10.710   0.4767   10.050   0.7604   11.360   0.5751 -1.304000 0.9534000 
1 1 1  -59    3    2 o   12.400   0.4556   12.310   0.6881   12.500   0.5974 -0.1880000 0.9112000 
1 1 1  -59    3    3 o   8.6270   0.5992   7.8730   0.9759   9.3800   0.6955 -1.507000 1.198000 
1 1 1  -59    3    4 o   13.600   0.4798   13.760   0.8873   13.450   0.3654 0.3012000 0.9596000 
1 1 1  -59    3    5 o   6.9480   1.3090   6.8040   1.7240   7.0910   1.9690 -0.2862000 2.617000 
1 1 1  -59    3    6 o   18.040   0.5440   18.690   0.6824   17.380   0.8475 1.315000 1.088000 
1 1 1  -59    3    7 o   7.9220   1.1320   8.4870   1.3380   7.3570   1.8260 1.130000 2.263000 
1 1 1  -59    3    8 o   5.4410   1.2760   4.4130   1.7150   6.4690   1.8890 -2.057000 2.551000 
1 1 1  -59    3    9 o   31.800   0.4912   32.830   0.5699   30.780   0.8003 2.053000 0.9825000 
1 1 1  -59    3   10 o   25.130   0.3222   25.210   0.5609   25.040   0.3173 0.1718000 0.6445000 
1 1 1  -59    3   11 o   11.580   0.4216   10.930   0.5608   12.240   0.6298 -1.305000 0.8433000 
1 1 1  -59    3   12 o   19.790   0.3198   19.440   0.4381   20.140   0.4660 -0.7067000 0.6396000 
1 1 1  -59    3   13 o   9.9680   0.4532   10.870   0.5944   9.0640   0.6843 1.808000 0.9064000 
1 1 1  -59    3   14 o   28.830   0.2586   28.650   0.3694   29.000   0.3620 -0.3517000 0.5172000 
1 1 1  -59    3   15 o   17.130   0.3208   16.900   0.4692   17.360   0.4376 -0.4599000 0.6417000 
1 1 1  -59    3   16 o   31.660   0.2731   31.960   0.3904   31.360   0.3821 0.5946000 0.5463000 
1 1 1  -59    3   17 o   26.210   0.3261   26.450   0.4751   25.960   0.4467 0.4929000 0.6522000 
1 1 1  -59    3   18 o   18.870   0.3275   19.130   0.4680   18.610   0.4583 0.5199000 0.6551000 
1 1 1  -59    3   19 o   11.510   0.4966   11.890   0.6837   11.120   0.7204 0.7728000 0.9932000 
1 1 1  -59    3   20 o   3.2510   0.9840   3.3470   1.4120   3.1550   1.3710 0.1912000 1.968000 
1 1 1  -59    3   21 o   5.6230   1.0610   4.4540   1.6820   6.7920   1.2950 -2.338000 2.122000 
1 1 1  -59    3   22 o   12.470   0.6018   12.260   0.9080   12.690   0.7899 -0.4280000 1.204000 
1 1 1  -59    3   23 o   12.560   0.5350   12.880   0.7346   12.240   0.7780 0.6380000 1.070000 
1 1 1  -59    3   24 o   22.080   0.3549   22.310   0.5027   21.840   0.5011 0.4686000 0.7098000 
1 1 1  -59    3   25 o   13.320   0.6291   14.640   0.7631   12.010   1.0000 2.635000 1.258000 
1 1 1  -59    3   26 o   3.8400   1.1140   4.2520   1.6380   3.4280   1.5110 0.8239000 2.228000 
1 1 1  -59    3   27 o   7.2090   1.1810   6.3590   1.8100   8.0580   1.5180 -1.699000 2.363000 
1 1 1  -59    3   28 o   3.9460   1.1390   3.6970   1.5680   4.1940   1.6540 -0.4972000 2.279000 
1 1 1  -59    3   29 o   3.2620   1.0310   2.9170   1.3600   3.6060   1.5500 -0.6883000 2.061000 
1 1 1  -59    3   30 o   2.3170   0.8244   2.0850   1.0600   2.5490   1.2630 -0.4648000 1.649000 
1 1 1  -59    5    1 o   18.810   0.3292   18.560   0.4699   19.050   0.4610 -0.4885000 0.6583000 
1 1 1  -59    5    2 o   10.430   0.7264   10.180   1.3490   10.680   0.5385 -0.5030000 1.453000 
1 1 1  -59    5    3 o   18.130   0.6231   18.610   0.7793   17.650   0.9724 0.9646000 1.246000 
1 1 1  -59    5    4 o   4.0740   1.2760   3.5580   1.6250   4.5890   1.9680 -1.031000 2.552000 
1 1 1  -59    5    5 o   6.8810   1.3950   6.5980   1.8690   7.1640   2.0700 -0.5663000 2.789000 
1 1 1  -59    5    6 o   14.490   0.7400   15.930   0.8298   13.040   1.2260 2.896000 1.480000 
1 1 1  -59    5    7 o   6.7610   1.3150   7.5610   1.6660   5.9600   2.0340 1.601000 2.630000 
1 1 1  -59    5    8 o   7.6660   1.2290   7.1730   1.6920   8.1580   1.7810 -0.9849000 2.457000 
1 1 1  -59    5    9 o   10.250   0.8644   9.7230   1.2510   10.780   1.1930 -1.054000 1.729000 
1 1 1  -59    5   10 o   7.6610   1.1300   7.6890   1.5610   7.6320   1.6360 0.5707000E-01 2.261000 
1 1 1  -59    5   11 o   6.1500   1.2570   5.6450   1.7930   6.6540   1.7620 -1.009000 2.514000 
1 1 1  -59    5   12 o   3.6240   1.1070   4.2720   1.7010   2.9770   1.4160 1.294000 2.214000 
1 1 1  -59    5   13 o   13.070   0.3992   13.370   0.5307   12.780   0.5964 0.5977000 0.7983000 
1 1 1  -59    5   14 o   7.9910   0.7095   8.0080   0.9344   7.9750   1.0680 0.3361000E-01 1.419000 
1 1 1  -59    5   15 o   9.8930   0.5125   9.7990   0.7420   9.9880   0.7071 -0.1893000 1.025000 
1 1 1  -59    5   16 o   23.230   0.2857   23.400   0.4105   23.050   0.3973 0.3485000 0.5713000 
1 1 1  -59    5   17 o   8.0540   0.6723   8.7170   0.8749   7.3920   1.0210 1.325000 1.345000 
1 1 1  -59    5   18 o   9.3230   0.7373   10.180   0.9375   8.4680   1.1380 1.710000 1.475000 
1 1 1  -59    5   19 o   2.9840   0.9596   3.1210   1.4170   2.8470   1.2940 0.2744000 1.919000 
1 1 1  -59    5   20 o   7.3930   0.9583   7.1410   1.4190   7.6450   1.2880 -0.5039000 1.917000 
1 1 1  -59    5   21 o   7.5450   0.8521   8.2350   1.0760   6.8550   1.3210 1.380000 1.704000 
1 1 1  -59    5   22 o   23.870   0.3254   23.660   0.4684   24.080   0.4517 -0.4124000 0.6507000 
1 1 1  -59    5   23 o   17.030   0.4149   16.270   0.6065   17.800   0.5665 -1.525000 0.8299000 
1 1 1  -59    5   24 o   8.2330   0.8460   7.5860   1.2840   8.8800   1.1020 -1.294000 1.692000 
1 1 1  -59    5   25 o   12.760   0.6380   13.380   0.8019   12.130   0.9927 1.253000 1.276000 
1 1 1  -59    5   26 o   5.0220   1.2170   6.5940   1.8120   3.4490   1.6240 3.145000 2.433000 
1 1 1  -59    5   27 o   4.9190   1.1700   4.4480   1.6360   5.3900   1.6730 -0.9423000 2.340000 
1 1 1  -59    5   28 o   4.0130   1.1130   4.7400   1.6660   3.2870   1.4750 1.452000 2.226000 
1 1 1  -59    5   29 o   11.260   0.6442   11.220   0.9031   11.300   0.9188 -0.8107000E-01 1.288000 
1 1 1  -59    5   30 o   3.8550   1.7460   3.8550   1.7460  ?   ?       ?      ? 
1 1 1  -59    7    1 o   10.420   0.7550   10.700   1.3640   10.140   0.6473 0.5607000 1.510000 
1 1 1  -59    7    2 o   12.730   0.9314   13.050   1.1200   12.400   1.4880 0.6479000 1.863000 
1 1 1  -59    7    3 o   7.5880   1.4080   8.7010   1.6860   6.4750   2.2550 2.227000 2.816000 
1 1 1  -59    7    4 o   20.810   0.5988   20.200   0.7632   21.420   0.9228 -1.218000 1.198000 
1 1 1  -59    7    5 o   9.5790   1.4900   9.5790   1.4900  ?   ?       ?      ? 
1 1 1  -59    7    6 o   23.380   0.5334   23.930   0.6686   22.830   0.8313 1.103000 1.067000 
1 1 1  -59    7    7 o   16.300   1.0340  ?   ?    16.300   1.0340      ?      ? 
1 1 1  -59    7    8 o   3.8960   1.2860   3.2370   1.5270   4.5550   2.0690 -1.319000 2.572000 
1 1 1  -59    7    9 o   3.3720   1.1080   2.9730   1.4290   3.7710   1.6930 -0.7977000 2.216000 
1 1 1  -59    7   10 o   15.800   0.6110   15.120   0.8729   16.480   0.8552 -1.361000 1.222000 
1 1 1  -59    7   11 o   9.4010   0.9996   9.5380   1.3630   9.2640   1.4630 0.2733000 1.999000 
1 1 1  -59    7   12 o   15.050   0.6190   15.320   0.8416   14.790   0.9079 0.5307000 1.238000 
1 1 1  -59    7   13 o   10.850   0.8813   12.450   1.0100   9.2520   1.4440 3.201000 1.763000 
1 1 1  -59    7   14 f   13.490   0.6927   14.110   0.9182   12.880   1.0370 1.235000 1.385000 
1 1 1  -59    7   15 o   20.740   0.3051   20.570   0.4568   20.920   0.4047 -0.3497000 0.6103000 
1 1 1  -59    7   16 o   5.8130   0.9716   5.2360   1.5410   6.3900   1.1840 -1.154000 1.943000 
1 1 1  -59    7   17 f   4.2360   1.0980   4.0310   1.5610   4.4420   1.5460 -0.4115000 2.197000 
1 1 1  -59    7   18 o   9.7310   1.0330   11.090   1.3740   8.3750   1.5420 2.711000 2.065000 
1 1 1  -59    7   19 o   10.600   0.7151   10.820   1.0240   10.370   0.9987 0.4532000 1.430000 
1 1 1  -59    7   20 o   6.1880   0.9805   5.1440   1.5320   7.2320   1.2240 -2.088000 1.961000 
1 1 1  -59    7   21 o   5.9320   1.0390   6.2130   1.4100   5.6520   1.5260 0.5616000 2.078000 
1 1 1  -59    7   22 o   11.890   0.5489   12.360   0.7345   11.420   0.8159 0.9410000 1.098000 
1 1 1  -59    7   23 o   17.990   0.4091   18.570   0.5517   17.420   0.6042 1.153000 0.8181000 
1 1 1  -59    7   24 o   8.6660   0.9530   6.6200   1.5750   10.710   1.0730 -4.092000 1.906000 
1 1 1  -59    7   25 o   9.8900   0.7056   9.6440   1.0060   10.140   0.9899 -0.4920000 1.411000 
1 1 1  -59    7   26 o   14.450   0.5657   14.140   0.8052   14.760   0.7947 -0.6197000 1.131000 
1 1 1  -59    7   27 o   17.050   0.4451   16.830   0.6208   17.270   0.6382 -0.4377000 0.8903000 
1 1 1  -59    7   28 o   3.7110   1.0980   3.9450   1.5850   3.4770   1.5200 0.4673000 2.196000 
1 1 1  -59    7   29 o   3.8490   1.1070   4.4110   1.6540   3.2880   1.4710 1.123000 2.214000 
1 1 1  -59    9    1 o   9.6870   1.7950   10.230   2.2340   9.1450   2.8090 1.084000 3.589000 
1 1 1  -59    9    2 o   5.3480   1.6690   4.7480   2.1390   5.9480   2.5610 -1.200000 3.337000 
1 1 1  -59    9    3 o   8.1230   1.5830   6.4740   2.4490   9.7730   2.0070 -3.299000 3.166000 
1 1 1  -59    9    4 o   11.030   1.1480   11.760   1.3020   10.300   1.8920 1.460000 2.297000 
1 1 1  -59    9    5 o   11.370   1.0870   12.040   1.2440   10.700   1.7820 1.344000 2.174000 
1 1 1  -59    9    6 f   4.2140   1.3290   3.7570   1.7190   4.6700   2.0280 -0.9125000 2.659000 
1 1 1  -59    9    7 o   6.2890   1.5000   6.3030   2.0070   6.2750   2.2290 0.2720000E-01 2.999000 
1 1 1  -59    9    8 o   15.700   0.7027   16.670   0.8938   14.740   1.0850 1.927000 1.405000 
1 1 1  -59    9    9 o   8.8300   1.1750   9.0210   1.5790   8.6390   1.7390 0.3823000 2.349000 
1 1 1  -59    9   10 o   14.240   0.7412   13.360   1.0620   15.120   1.0350 -1.758000 1.482000 
1 1 1  -59    9   11 o   26.210   0.6382   26.710   1.0490   25.700   0.7267 1.006000 1.276000 
1 1 1  -59    9   12 o   11.540   1.4360   9.1700   2.4330   13.920   1.5250 -4.750000 2.872000 
1 1 1  -59    9   13 o   8.7620   1.6450   10.960   2.2440   6.5680   2.4070 4.387000 3.291000 
1 1 1  -59    9   14 o   10.590   1.5000   12.320   1.9830   8.8700   2.2530 3.450000 3.001000 
1 1 1  -59    9   15 o   5.9130   0.9044   5.0510   1.3710   6.7740   1.1800 -1.724000 1.809000 
1 1 1  -59    9   16 o   8.8860   0.5878   8.9430   0.8231   8.8280   0.8395 0.1145000 1.176000 
1 1 1  -59    9   17 o   17.570   0.3400   18.030   0.4647   17.100   0.4965 0.9259000 0.6801000 
1 1 1  -59    9   18 o   13.150   0.4512   13.650   0.5923   12.640   0.6809 1.014000 0.9025000 
1 1 1  -59    9   19 o   9.7830   0.8080   9.6460   1.1820   9.9190   1.1020 -0.2726000 1.616000 
1 1 1  -59    9   20 o   3.1000   0.9732   2.8170   1.3000   3.3830   1.4490 -0.5663000 1.946000 
1 1 1  -59    9   21 o   5.1060   1.0660   6.6530   1.5100   3.5590   1.5040 3.094000 2.131000 
1 1 1  -59    9   22 o   5.7800   1.1460   6.2920   1.5360   5.2670   1.7010 1.025000 2.292000 
1 1 1  -59    9   23 o   5.8130   1.0970   4.8280   1.6380   6.7980   1.4590 -1.970000 2.194000 
1 1 1  -59    9   24 o   6.9520   1.0120   7.3760   1.3380   6.5280   1.5190 0.8477000 2.024000 
1 1 1  -59    9   25 o   6.6990   1.0860   7.1760   1.3950   6.2220   1.6650 0.9536000 2.172000 
1 1 1  -59    9   26 o   4.5990   1.0560   6.4280   1.6300   2.7690   1.3430 3.659000 2.113000 
1 1 1  -59    9   27 o   9.3890   0.8095   10.620   0.9476   8.1600   1.3130 2.458000 1.619000 
1 1 1  -59    9   28 o   3.3790   1.0500   3.5730   1.5230   3.1850   1.4460 0.3881000 2.101000 
1 1 1  -59   11    1 o   6.9370   1.1810   6.8670   2.1710   7.0060   0.9280 -0.1394000 2.361000 
1 1 1  -59   11    2 o   6.3180   1.5200   7.4790   2.0920   5.1570   2.2070 2.322000 3.041000 
1 1 1  -59   11    3 o   5.2910   2.0760   5.2910   2.0760  ?   ?       ?      ? 
1 1 1  -59   11    4 o   11.930   1.1630   13.300   1.2590   10.560   1.9570 2.740000 2.327000 
1 1 1  -59   11    5 o   12.450   1.0910   14.030   1.2000   10.870   1.8220 3.167000 2.181000 
1 1 1  -59   11    6 o   12.000   1.1030   13.650   1.2140   10.350   1.8430 3.299000 2.206000 
1 1 1  -59   11    7 f   9.6000   1.4860   9.8990   1.6380   9.3000   2.4790 0.5989000 2.971000 
1 1 1  -59   11    8 o   10.130   1.1080   10.400   1.4540   9.8500   1.6720 0.5533000 2.216000 
1 1 1  -59   11    9 o   11.470   0.9692   12.250   1.2240   10.700   1.5030 1.550000 1.938000 
1 1 1  -59   11   10 f   6.3240   1.4130   5.6150   1.9850   7.0330   2.0120 -1.418000 2.827000 
1 1 1  -59   11   11 o   6.4530   1.4320   6.5360   1.9730   6.3700   2.0770 0.1663000 2.865000 
1 1 1  -59   11   12 o   8.8290   1.2130   9.1790   1.5860   8.4790   1.8370 0.7006000 2.427000 
1 1 1  -59   11   13 o   19.550   0.5734   19.440   0.8024   19.660   0.8194 -0.2197000 1.147000 
1 1 1  -59   11   14 o   4.6220   1.3310   4.2070   1.7930   5.0370   1.9670 -0.8301000 2.661000 
1 1 1  -59   11   15 o   16.180   0.3763   16.540   0.4969   15.810   0.5653 0.7214000 0.7526000 
1 1 1  -59   11   16 o   3.1500   0.9415   2.5870   1.2090   3.7140   1.4440 -1.127000 1.883000 
1 1 1  -59   11   17 f   9.2480   0.6305   9.7680   0.7979   8.7270   0.9766 1.040000 1.261000 
1 1 1  -59   11   18 o   7.4230   1.0450   5.8130   1.4480   9.0320   1.5080 -3.219000 2.090000 
1 1 1  -59   11   19 o   3.8780   1.2170   3.8780   1.7160   3.8780   1.7260 -0.5434000E-03 2.434000 
1 1 1  -59   11   20 o   14.790   0.4892   15.040   0.6481   14.540   0.7328 0.5064000 0.9783000 
1 1 1  -59   11   21 o   3.3580   1.0320   2.9550   1.3570   3.7610   1.5560 -0.8058000 2.064000 
1 1 1  -59   11   22 o   8.7150   0.8222   7.6850   1.2710   9.7460   1.0430 -2.061000 1.644000 
1 1 1  -59   11   23 o   6.8150   1.0360   6.1580   1.5300   7.4720   1.3980 -1.314000 2.073000 
1 1 1  -59   11   24 o   8.5830   0.9213   8.4350   1.2120   8.7300   1.3870 -0.2953000 1.843000 
1 1 1  -59   11   25 f   17.460   0.4700   17.900   0.6695   17.020   0.6599 0.8769000 0.9400000 
1 1 1  -59   11   26 f   3.1440   1.0330   3.2740   1.4920   3.0140   1.4300 0.2599000 2.067000 
1 1 1  -59   11   27 o   3.1180   1.0060   3.4310   1.5090   2.8040   1.3310 0.6274000 2.012000 
1 1 1  -59   13    1 o   7.9990   0.8303   7.9120   1.3490   8.0850   0.9680 -0.1728000 1.661000 
1 1 1  -59   13    2 o   6.1340   1.4890   7.5620   2.1230   4.7060   2.0890 2.856000 2.978000 
1 1 1  -59   13    3 o   12.080   1.1340   12.390   1.4060   11.770   1.7800 0.6160000 2.268000 
1 1 1  -59   13    4 o   4.3910   1.3980   4.1060   1.8640   4.6760   2.0850 -0.5698000 2.797000 
1 1 1  -59   13    5 o   8.2340   1.5050   9.2010   1.8490   7.2660   2.3760 1.935000 3.011000 
1 1 1  -59   13    6 o   7.2640   1.5590   6.1170   2.1420   8.4120   2.2660 -2.295000 3.118000 
1 1 1  -59   13    7 o   5.2250   1.4700   5.1450   2.0360   5.3050   2.1200 -0.1597000 2.940000 
1 1 1  -59   13    8 o   3.8830   1.2680   3.6160   1.6940   4.1490   1.8880 -0.5323000 2.536000 
1 1 1  -59   13    9 o   20.930   0.6048   20.530   0.8346   21.340   0.8755 -0.8093000 1.210000 
1 1 1  -59   13   10 o   10.260   1.1210   9.0260   1.7190   11.490   1.4370 -2.462000 2.241000 
1 1 1  -59   13   11 o   6.3410   1.4140   4.9780   1.9600   7.7030   2.0380 -2.725000 2.827000 
1 1 1  -59   13   12 o   3.8680   1.7810  ?   ?    3.8680   1.7810      ?      ? 
1 1 1  -59   13   13 o   18.090   0.5125   16.670   0.9606   19.520   0.3575 -2.854000 1.025000 
1 1 1  -59   13   14 o   8.7750   0.6528   8.4030   0.8636   9.1460   0.9792 -0.7432000 1.306000 
1 1 1  -59   13   15 o   7.8160   0.6837   7.8890   0.8647   7.7440   1.0590 0.1458000 1.367000 
1 1 1  -59   13   16 o   17.530   0.3733   18.090   0.4687   16.970   0.5813 1.121000 0.7467000 
1 1 1  -59   13   17 o   8.1570   0.7294   8.3690   0.8884   7.9450   1.1570 0.4236000 1.459000 
1 1 1  -59   13   18 o   6.7340   1.1850   8.1930   1.4810   5.2750   1.8500 2.918000 2.370000 
1 1 1  -59   13   19 o   4.4760   1.1200   4.2900   1.5440   4.6620   1.6240 -0.3716000 2.241000 
1 1 1  -59   13   20 o   5.9780   1.0340   7.4540   1.2420   4.5020   1.6530 2.952000 2.068000 
1 1 1  -59   13   21 o   4.6320   1.1290   5.4300   1.5990   3.8350   1.5930 1.595000 2.257000 
1 1 1  -59   13   22 o   9.7190   0.7489   10.340   0.9626   9.1000   1.1470 1.239000 1.498000 
1 1 1  -59   13   23 o   3.2430   1.0150   2.5840   1.2470   3.9010   1.6010 -1.317000 2.029000 
1 1 1  -59   13   24 o   9.2220   0.7924   9.3500   1.0710   9.0940   1.1690 0.2567000 1.585000 
1 1 1  -59   13   25 o   3.5080   1.0560   4.0840   1.6080   2.9320   1.3700 1.152000 2.112000 
1 1 1  -59   13   26 o   2.5570   0.8872   2.4640   1.2160   2.6500   1.2920 -0.1862000 1.774000 
1 1 1  -59   15    1 o   13.520   0.4534   13.640   0.6033   13.400   0.6769 0.2399000 0.9068000 
1 1 1  -59   15    2 o   12.730   0.4267   12.400   0.5842   13.060   0.6221 -0.6595000 0.8534000 
1 1 1  -59   15    3 o   6.7530   1.1340   7.4020   1.3760   6.1040   1.8020 1.298000 2.268000 
1 1 1  -59   15    4 o   6.3210   0.9578   6.6930   0.7881   5.9480   1.7460 0.7453000 1.916000 
1 1 1  -59   15    5 o   6.3740   1.7930   6.5820   2.4600   6.1660   2.6090 0.4157000 3.586000 
1 1 1  -59   15    6 o   5.1610   1.6420   4.4380   2.0550   5.8850   2.5620 -1.447000 3.285000 
1 1 1  -59   15    7 o   4.8440   1.5370   5.2630   2.2380   4.4250   2.1080 0.8375000 3.075000 
1 1 1  -59   15    8 o   5.9270   1.7140   6.0510   2.3580   5.8030   2.4900 0.2481000 3.429000 
1 1 1  -59   15    9 f   11.640   1.4320   10.900   1.9170   12.380   2.1280 -1.481000 2.864000 
1 1 1  -59   15   10 o   15.940   0.7668   15.680   1.0500   16.200   1.1180 -0.5232000 1.534000 
1 1 1  -59   15   11 o   4.4270   1.2180   4.5990   1.9140   4.2550   1.5060 0.3443000 2.435000 
1 1 1  -59   15   12 o   8.9710   0.6430   8.5270   0.8333   9.4160   0.9795 -0.8889000 1.286000 
1 1 1  -59   15   13 o   18.430   0.3430   18.190   0.5091   18.680   0.4599 -0.4886000 0.6860000 
1 1 1  -59   15   14 o   9.6290   0.5796   10.200   0.6833   9.0610   0.9365 1.136000 1.159000 
1 1 1  -59   15   15 o   10.800   0.5362   10.820   0.6835   10.790   0.8264 0.3365000E-01 1.072000 
1 1 1  -59   15   16 o   4.7610   0.8692   6.7520   1.1550   2.7700   1.2990 3.982000 1.738000 
1 1 1  -59   15   17 o   3.8850   1.1680   4.2090   1.7010   3.5620   1.6000 0.6462000 2.336000 
1 1 1  -59   15   18 o   7.9540   0.8408   8.0560   1.1180   7.8520   1.2560 0.2038000 1.682000 
1 1 1  -59   15   19 o   7.4840   0.9633   7.4900   1.3180   7.4770   1.4050 0.1337000E-01 1.927000 
1 1 1  -59   15   20 o   3.8680   1.1220   4.1770   1.6250   3.5590   1.5470 0.6171000 2.243000 
1 1 1  -59   15   21 o   2.9110   0.9640   2.9600   1.3720   2.8620   1.3540 0.9796000E-01 1.928000 
1 1 1  -59   15   22 o   6.4840   0.9920   8.9520   1.1390   4.0160   1.6250 4.937000 1.984000 
1 1 1  -59   15   23 o   4.2070   1.1310   3.5800   1.5250   4.8340   1.6710 -1.254000 2.262000 
1 1 1  -59   15   24 o   2.1400   0.7590   1.9060   0.9680   2.3730   1.1690 -0.4668000 1.518000 
1 1 1  -59   15   25 o   2.7830   0.9898   2.5430   1.2680   3.0220   1.5200 -0.4786000 1.980000 
1 1 1  -59   17    1 o   10.550   0.7388   11.910   0.7405   9.1820   1.2790 2.730000 1.478000 
1 1 1  -59   17    2 o   11.860   0.5483   12.450   0.7143   11.270   0.8320 1.181000 1.097000 
1 1 1  -59   17    3 o   6.9440   0.8932   5.8310   1.3300   8.0560   1.1930 -2.225000 1.786000 
1 1 1  -59   17    4 o   4.3090   1.0810   3.6750   1.4100   4.9440   1.6380 -1.269000 2.161000 
1 1 1  -59   17    5 o   4.4550   1.0290   4.8670   1.3950   4.0440   1.5130 0.8231000 2.058000 
1 1 1  -59   17    6 o   12.620   0.4486   12.900   0.5602   12.330   0.7009 0.5650000 0.8973000 
1 1 1  -59   17    7 o   8.6730   0.7376   9.2240   1.0960   8.1210   0.9875 1.103000 1.475000 
1 1 1  -59   17    8 o   12.910   0.4954   13.660   0.7121   12.170   0.6890 1.492000 0.9909000 
1 1 1  -59   17    9 o   3.2780   0.9577   3.2950   1.3320   3.2620   1.3760 0.3294000E-01 1.915000 
1 1 1  -59   17   10 o   2.8980   0.9055   2.8160   1.2350   2.9810   1.3240 -0.1644000 1.811000 
1 1 1  -59   17   11 o   8.8420   0.6570   9.4720   0.7640   8.2130   1.0690 1.259000 1.314000 
1 1 1  -59   17   12 o   5.7360   0.9793   6.3750   1.2030   5.0980   1.5450 1.276000 1.959000 
1 1 1  -59   17   13 o   3.2970   0.9937   2.9860   1.3090   3.6080   1.4950 -0.6224000 1.987000 
1 1 1  -59   17   14 o   8.6410   0.7648   10.050   0.7912   7.2290   1.3090 2.824000 1.530000 
1 1 1  -59   17   15 o   4.2640   1.2020   4.0540   1.6600   4.4730   1.7400 -0.4185000 2.405000 
1 1 1  -59   17   16 o   9.1740   0.9300   9.1120   1.2940   9.2350   1.3360 -0.1231000 1.860000 
1 1 1  -59   17   17 o   6.1300   1.0850   6.4420   1.4250   5.8180   1.6360 0.6235000 2.170000 
1 1 1  -59   17   18 o   6.9750   1.0320   6.3900   1.4700   7.5600   1.4490 -1.170000 2.064000 
1 1 1  -59   17   19 o   3.0810   0.9991   3.2020   1.4350   2.9610   1.3910 0.2409000 1.998000 
1 1 1  -59   17   20 o   2.3840   0.8293   2.3690   1.1650   2.3980   1.1810 -0.2839000E-01 1.659000 
1 1 1  -59   17   21 o   8.2370   0.9224   9.7150   1.0390   6.7580   1.5240 2.957000 1.845000 
1 1 1  -59   17   22 o   2.1680   0.7666   2.0520   1.0340   2.2830   1.1320 -0.2316000 1.533000 
1 1 1  -59   17   23 o   2.6920   0.9392   2.7110   1.3160   2.6720   1.3400 0.3876000E-01 1.878000 
1 1 1  -59   19    1 o   4.9490   1.1650   4.4850   1.6290   5.4130   1.6650 -0.9276000 2.330000 
1 1 1  -59   19    2 o   3.4010   1.0860   3.1380   1.4420   3.6640   1.6240 -0.5264000 2.172000 
1 1 1  -59   19    3 o   5.6120   1.2350   5.7370   1.6940   5.4870   1.7990 0.2501000 2.470000 
1 1 1  -59   19    4 o   5.7790   1.1490   7.1820   1.5060   4.3760   1.7350 2.806000 2.297000 
1 1 1  -59   19    5 f   8.0490   0.8901   6.6780   1.2870   9.4190   1.2300 -2.741000 1.780000 
1 1 1  -59   19    6 o   6.8610   0.9695   7.3010   1.2230   6.4210   1.5040 0.8798000 1.939000 
1 1 1  -59   19    7 f   4.8130   1.1140   4.2160   1.5490   5.4100   1.6000 -1.194000 2.227000 
1 1 1  -59   19    8 o   4.8360   1.1240   5.0390   1.5590   4.6330   1.6210 0.4065000 2.249000 
1 1 1  -59   19    9 o   7.1240   0.9148   6.8030   1.3260   7.4450   1.2610 -0.6417000 1.830000 
1 1 1  -59   19   10 o   3.4520   1.0280   3.6230   1.4780   3.2810   1.4310 0.3419000 2.057000 
1 1 1  -59   19   11 o   3.4310   1.0640   2.9840   1.3430   3.8780   1.6520 -0.8938000 2.129000 
1 1 1  -59   19   12 o   12.130   0.6760   13.070   0.8456   11.180   1.0550 1.893000 1.352000 
1 1 1  -59   19   13 o   13.860   0.5883   14.230   0.7756   13.500   0.8848 0.7322000 1.177000 
1 1 1  -59   19   14 o   5.9950   1.0930   5.1350   1.7250   6.8550   1.3420 -1.720000 2.186000 
1 1 1  -59   19   15 f   5.5970   1.1140   5.1950   1.5780   5.9980   1.5730 -0.8028000 2.229000 
1 1 1  -59   19   16 o   3.6180   1.0770   3.6420   1.5190   3.5930   1.5270 0.4901000E-01 2.154000 
1 1 1  -59   19   17 o   3.0000   0.9725   3.4160   1.4930   2.5840   1.2470 0.8323000 1.945000 
1 1 1  -59   19   18 o   3.8150   1.1020   4.3720   1.6500   3.2570   1.4620 1.115000 2.204000 
1 1 1  -59   19   19 o   4.7920   1.2550   5.2070   1.7990   4.3780   1.7500 0.8288000 2.510000 
1 1 1  -59   19   20 o   2.6930   0.9252   2.5350   1.2490   2.8500   1.3650 -0.3143000 1.850000 
1 1 1  -59   19   21 o   1.4090   0.7350  ?   ?    1.4090   0.7350      ?      ? 
1 1 1  -59   21    1 o   3.7000   1.1370   3.6120   1.5890   3.7880   1.6270 -0.1757000 2.274000 
1 1 1  -59   21    2 o   9.3600   0.7889   9.4750   1.1210   9.2450   1.1110 0.2299000 1.578000 
1 1 1  -59   21    3 o   10.530   0.7567   9.9060   1.0350   11.150   1.1040 -1.242000 1.513000 
1 1 1  -59   21    4 o   2.9290   0.9641   3.0370   1.3920   2.8210   1.3340 0.2168000 1.928000 
1 1 1  -59   21    5 o   3.5980   1.0750   3.5480   1.4990   3.6490   1.5410 -0.1008000 2.150000 
1 1 1  -59   21    6 o   3.8590   1.0940   4.6330   1.6630   3.0860   1.4210 1.547000 2.188000 
1 1 1  -59   21    7 f   4.4700   1.1450   3.8980   1.5660   5.0410   1.6720 -1.143000 2.291000 
1 1 1  -59   21    8 o   2.2830   0.8009   2.0510   1.0290   2.5160   1.2280 -0.4651000 1.602000 
1 1 1  -59   21    9 o   3.1400   0.9992   3.3150   1.4530   2.9660   1.3720 0.3499000 1.998000 
1 1 1  -59   21   10 o   5.2410   1.1520   5.5420   1.5860   4.9410   1.6720 0.6012000 2.304000 
1 1 1  -59   21   11 o   7.8320   0.9076   7.1740   1.3560   8.4910   1.2060 -1.317000 1.815000 
1 1 1  -59   21   12 o   11.490   0.6400   12.710   0.8470   10.280   0.9598 2.426000 1.280000 
1 1 1  -59   21   13 o   5.7010   1.1930   5.7940   1.6800   5.6070   1.6940 0.1871000 2.386000 
1 1 1  -59   21   14 f   2.7080   0.9176   2.9020   1.3640   2.5150   1.2280 0.3868000 1.835000 
1 1 1  -59   21   15 o   6.1560   1.1340   7.4350   1.4770   4.8770   1.7200 2.559000 2.267000 
1 1 1  -59   21   16 o   3.4570   1.0300   4.3980   1.6500   2.5150   1.2330 1.884000 2.060000 
1 1 1  -59   21   17 o   3.8780   1.1010   4.6370   1.6450   3.1200   1.4650 1.517000 2.202000 
1 1 1  -59   23    1 o   2.8380   0.9547   2.8950   1.3740   2.7810   1.3260 0.1135000 1.909000 
1 1 1  -59   23    2 o   2.7560   0.9288   2.7050   1.2950   2.8070   1.3310 -0.1018000 1.858000 
1 1 1  -59   23    3 o   4.2880   1.2240   3.9340   1.6010   4.6420   1.8530 -0.7075000 2.449000 
1 1 1  -59   23    4 o   5.2400   1.1480   6.1790   1.6010   4.3000   1.6460 1.879000 2.296000 
1 1 1  -59   23    5 o   2.3710   0.8251   2.4850   1.2110   2.2570   1.1210 0.2276000 1.650000 
1 1 1  -59   23    6 o   3.8230   1.1190   3.5670   1.5220   4.0790   1.6420 -0.5119000 2.239000 
1 1 1  -59   23    7 o   3.2760   1.0010   2.4050   1.1810   4.1470   1.6180 -1.742000 2.003000 
1 1 1  -59   23    8 o   3.5120   1.0540   4.2490   1.6460   2.7760   1.3180 1.473000 2.109000 
1 1 1  -59   23    9 f   3.3760   1.0440   3.1570   1.4290   3.5950   1.5230 -0.4379000 2.088000 
1 1 1  -59   23   10 o   2.1970   0.7738   2.0260   1.0210   2.3670   1.1630 -0.3417000 1.548000 
1 1 1  -59   23   11 o   2.7130   0.9069   3.1630   1.4270   2.2620   1.1190 0.9013000 1.814000 
1 1 1  -59   23   12 o   3.3390   1.0310   2.9950   1.3760   3.6830   1.5370 -0.6882000 2.063000 
1 1 1  -58    0    1 o   10.520   0.9539   10.520   0.9539   10.520   0.9539 -0.000000 0.000000 
1 1 1  -58    0    2 o   2.0860   1.3890   2.0860   1.3890   2.0860   1.3890 0.000000 0.000000 
1 1 1  -58    0    3 o   6.6430   1.2560   6.6430   1.2560   6.6430   1.2560 -0.000000 0.000000 
1 1 1  -58    0    4 o   21.020   0.4554   21.020   0.4554   21.020   0.4554 -0.000000 0.000000 
1 1 1  -58    0    5 o   30.810   0.3753   30.810   0.3753   30.810   0.3753 0.000000 0.000000 
1 1 1  -58    0    6 o   28.770   0.4409   28.770   0.4409   28.770   0.4409 0.000000 0.000000 
1 1 1  -58    0    7 o   24.680   0.3688   24.680   0.3688   24.680   0.3688 0.000000 0.000000 
1 1 1  -58    0    8 o   25.470   0.3626   25.470   0.3626   25.470   0.3626 -0.000000 0.000000 
1 1 1  -58    0    9 o   5.1740   1.3860   5.1740   1.3860   5.1740   1.3860 0.000000 0.000000 
1 1 1  -58    0   10 o   14.420   0.4488   14.420   0.4488   14.420   0.4488 0.000000 0.000000 
1 1 1  -58    0   11 o   3.3920   1.5750   3.3920   1.5750   3.3920   1.5750 0.000000 0.000000 
1 1 1  -58    0   12 o   1.6080   1.1100   1.6080   1.1100   1.6080   1.1100 -0.000000 0.000000 
1 1 1  -58    0   13 o   2.0130   1.3500   2.0130   1.3500   2.0130   1.3500 -0.000000 0.000000 
1 1 1  -58    0   14 o   3.8530   1.8270   3.8530   1.8270   3.8530   1.8270 0.000000 0.000000 
1 1 1  -58    0   15 o   11.040   0.6146   11.040   0.6146   11.040   0.6146 -0.000000 0.000000 
1 1 1  -58    0   16 o   20.180   0.4071   20.180   0.4071   20.180   0.4071 -0.000000 0.000000 
1 1 1  -58    0   17 o   21.840   0.4062   21.840   0.4062   21.840   0.4062 -0.000000 0.000000 
1 1 1  -58    0   18 f   2.7470   1.6070   2.7470   1.6070   2.7470   1.6070 -0.000000 0.000000 
1 1 1  -58    0   19 o   9.0350   0.8735   9.0350   0.8735   9.0350   0.8735 0.000000 0.000000 
1 1 1  -58    0   20 o   23.030   0.4345   23.030   0.4345   23.030   0.4345 -0.000000 0.000000 
1 1 1  -58    0   21 o   1.9400   1.3280   1.9400   1.3280   1.9400   1.3280 -0.000000 0.000000 
1 1 1  -58    0   22 o   18.610   0.5110   18.610   0.5110   18.610   0.5110 -0.000000 0.000000 
1 1 1  -58    0   23 o   4.5810   2.1240   4.5810   2.1240   4.5810   2.1240 -0.000000 0.000000 
1 1 1  -58    0   24 o   4.6610   2.3160   4.6610   2.3160   4.6610   2.3160 0.000000 0.000000 
1 1 1  -58    0   25 o   17.340   0.6072   17.340   0.6072   17.340   0.6072 0.000000 0.000000 
1 1 1  -58    0   26 o   9.3130   1.1290   9.3130   1.1290   9.3130   1.1290 -0.000000 0.000000 
1 1 1  -58    0   27 o   16.300   0.6746   16.300   0.6746   16.300   0.6746 -0.000000 0.000000 
1 1 1  -58    0   28 o   15.030   1.1050   15.030   1.1050   15.030   1.1050 0.000000 0.000000 
1 1 1  -58    0   29 o   3.1370   2.0550   3.1370   2.0550   3.1370   2.0550 0.000000 0.000000 
1 1 1  -58    0   30 o   1.7610   1.2580   1.7610   1.2580   1.7610   1.2580 0.000000 0.000000 
1 1 1  -58    2    1 f   9.2940   0.5823   8.3810   0.9404   10.210   0.6872 -1.826000 1.165000 
1 1 1  -58    2    2 o   13.290   0.4068   13.430   0.5946   13.150   0.5553 0.2814000 0.8136000 
1 1 1  -58    2    3 o   28.680   0.4096  ?   ?    28.680   0.4096      ?      ? 
1 1 1  -58    2    4 o   34.770   0.3834   35.070   0.5437   34.470   0.5407 0.5928000 0.7668000 
1 1 1  -58    2    5 o   26.600   0.3509   26.690   0.5028   26.520   0.4895 0.1738000 0.7017000 
1 1 1  -58    2    6 o   21.000   0.3043   20.730   0.3741   21.280   0.4800 -0.5508000 0.6085000 
1 1 1  -58    2    7 o   23.330   0.2991   23.450   0.3647   23.220   0.4742 0.2228000 0.5983000 
1 1 1  -58    2    8 f   17.510   0.3326   17.820   0.3954   17.200   0.5350 0.6137000 0.6652000 
1 1 1  -58    2    9 o   12.120   0.5661   11.170   0.8759   13.070   0.7173 -1.898000 1.132000 
1 1 1  -58    2   10 o   18.490   0.4016   18.170   0.5796   18.810   0.5560 -0.6444000 0.8031000 
1 1 1  -58    2   11 o   16.030   0.3441   15.900   0.5449   16.160   0.4204 -0.2644000 0.6883000 
1 1 1  -58    2   12 f   11.980   0.3707   12.140   0.5336   11.820   0.5149 0.3238000 0.7415000 
1 1 1  -58    2   13 o   3.5390   0.7910   5.1260   1.2640   1.9520   0.9510 3.174000 1.582000 
1 1 1  -58    2   14 o   10.070   0.4648   9.9760   0.6784   10.160   0.6355 -0.1803000 0.9295000 
1 1 1  -58    2   15 o   6.6380   0.8452   4.9980   1.4880   8.2790   0.8022 -3.281000 1.690000 
1 1 1  -58    2   16 o   21.540   0.3257   21.580   0.4683   21.500   0.4528 0.7827000E-01 0.6514000 
1 1 1  -58    2   17 o   22.910   0.2800   23.010   0.3973   22.800   0.3948 0.2109000 0.5601000 
1 1 1  -58    2   18 o   19.160   0.3141   18.910   0.4542   19.420   0.4341 -0.5158000 0.6283000 
1 1 1  -58    2   19 o   8.2770   0.6687   8.6450   0.9160   7.9090   0.9746 0.7361000 1.337000 
1 1 1  -58    2   20 o   8.1760   0.7192   7.1840   1.1270   9.1680   0.8941 -1.984000 1.438000 
1 1 1  -58    2   21 o   6.9740   0.8805   5.9850   1.3930   7.9630   1.0780 -1.978000 1.761000 
1 1 1  -58    2   22 o   3.7070   1.0730   4.8170   1.7450   2.5970   1.2490 2.220000 2.146000 
1 1 1  -58    2   23 o   7.7190   0.9880   7.2880   1.5370   8.1500   1.2420 -0.8619000 1.976000 
1 1 1  -58    2   24 o   3.8620   1.1310   3.4500   1.4850   4.2740   1.7060 -0.8243000 2.261000 
1 1 1  -58    2   25 o   8.9740   0.9125   8.2350   1.3550   9.7130   1.2220 -1.478000 1.825000 
1 1 1  -58    2   26 o   4.5780   1.0890   3.2510   1.4600   5.9050   1.6150 -2.653000 2.177000 
1 1 1  -58    2   27 o   9.5040   0.9326   8.2060   1.4910   10.800   1.1200 -2.597000 1.865000 
1 1 1  -58    2   28 o   10.560   0.8327   10.350   1.1950   10.770   1.1600 -0.4256000 1.665000 
1 1 1  -58    2   29 f   2.9280   0.9922   2.2110   1.1180   3.6440   1.6400 -1.433000 1.984000 
1 1 1  -58    2   30 o   9.0680   0.8884   7.3600   1.4720   10.780   0.9944 -3.416000 1.777000 
1 1 1  -58    4    1 o   20.290   0.3019   20.470   0.4680   20.110   0.3816 0.3642000 0.6039000 
1 1 1  -58    4    2 f   13.890   0.3681   13.670   0.5504   14.110   0.4889 -0.4446000 0.7362000 
1 1 1  -58    4    3 o   20.510   0.5528   20.850   0.6963   20.170   0.8589 0.6750000 1.106000 
1 1 1  -58    4    4 o   23.520   0.4967   23.690   0.6306   23.360   0.7676 0.3240000 0.9935000 
1 1 1  -58    4    5 o   20.910   0.5221   21.460   0.6722   20.360   0.7991 1.098000 1.044000 
1 1 1  -58    4    6 o   5.2880   1.3480   4.4510   1.7760   6.1250   2.0280 -1.674000 2.696000 
1 1 1  -58    4    7 o   6.4700   1.2940   7.2160   1.6500   5.7240   1.9950 1.492000 2.589000 
1 1 1  -58    4    8 o   11.450   0.8143   11.980   0.9753   10.920   1.3040 1.066000 1.629000 
1 1 1  -58    4    9 f   12.720   0.6720   13.140   0.8879   12.300   1.0090 0.8445000 1.344000 
1 1 1  -58    4   10 o   23.570   0.4228   23.830   0.5846   23.300   0.6108 0.5247000 0.8455000 
1 1 1  -58    4   11 o   6.5140   1.1970   6.2790   1.6910   6.7500   1.6940 -0.4706000 2.394000 
1 1 1  -58    4   12 o   19.320   0.2859   18.760   0.3586   19.880   0.4454 -1.113000 0.5718000 
1 1 1  -58    4   13 o   17.650   0.3438   17.520   0.4729   17.790   0.4992 -0.2674000 0.6876000 
1 1 1  -58    4   14 o   11.260   0.4227   11.200   0.6105   11.310   0.5849 -0.1088000 0.8455000 
1 1 1  -58    4   15 f   10.240   0.4949   10.770   0.6762   9.7200   0.7228 1.048000 0.9898000 
1 1 1  -58    4   16 o   2.5430   0.8330   2.7730   1.2500   2.3140   1.1010 0.4590000 1.666000 
1 1 1  -58    4   17 o   14.190   0.4738   14.080   0.7006   14.300   0.6381 -0.2254000 0.9477000 
1 1 1  -58    4   18 o   9.7020   0.5594   9.4700   0.8200   9.9340   0.7611 -0.4639000 1.119000 
1 1 1  -58    4   19 f   6.6410   0.8634   6.8340   1.1750   6.4480   1.2650 0.3861000 1.727000 
1 1 1  -58    4   20 f   7.9950   0.8476   8.8920   1.1730   7.0970   1.2230 1.796000 1.695000 
1 1 1  -58    4   21 o   4.5740   1.1720   4.2650   1.6600   4.8830   1.6560 -0.6171000 2.345000 
1 1 1  -58    4   22 o   15.120   0.4326   15.500   0.6005   14.740   0.6230 0.7667000 0.8653000 
1 1 1  -58    4   23 o   22.680   0.3409   22.690   0.4852   22.670   0.4789 0.1681000E-01 0.6818000 
1 1 1  -58    4   24 o   16.510   0.4326   16.820   0.5962   16.200   0.6268 0.6182000 0.8651000 
1 1 1  -58    4   25 o   11.980   0.7540   12.850   1.0930   11.110   1.0390 1.741000 1.508000 
1 1 1  -58    4   26 o   4.6530   1.2800   4.9450   1.8560   4.3600   1.7640 0.5852000 2.561000 
1 1 1  -58    4   27 o   12.160   0.7048   12.420   0.9521   11.900   1.0390 0.5206000 1.410000 
1 1 1  -58    4   28 o   4.0540   1.1490   4.2250   1.6350   3.8840   1.6140 0.3407000 2.297000 
1 1 1  -58    4   29 o   3.7970   1.0200   2.2700   1.1260   5.3230   1.7000 -3.053000 2.039000 
1 1 1  -58    4   30 o   3.8350   1.1690   4.4150   1.7790   3.2540   1.5180 1.160000 2.338000 
1 1 1  -58    6    1 o   6.6630   0.6698   6.7010   0.8946   6.6250   0.9972 0.7535000E-01 1.340000 
1 1 1  -58    6    2 o   14.680   0.7783   15.030   0.9504   14.340   1.2330 0.6917000 1.557000 
1 1 1  -58    6    3 o   12.560   0.8805   10.900   1.2780   14.230   1.2110 -3.333000 1.761000 
1 1 1  -58    6    4 o   14.660   0.7748   14.960   0.9443   14.350   1.2290 0.6167000 1.550000 
1 1 1  -58    6    5 o   16.620   0.6623   16.700   0.8366   16.540   1.0270 0.1657000 1.325000 
1 1 1  -58    6    6 o   18.840   0.5823   19.370   0.7204   18.310   0.9151 1.065000 1.165000 
1 1 1  -58    6    7 f   12.260   0.8317   12.780   1.0110   11.740   1.3210 1.041000 1.663000 
1 1 1  -58    6    8 o   6.9360   1.4250   7.0260   1.7440   6.8450   2.2550 0.1814000 2.851000 
1 1 1  -58    6    9 o   16.140   0.5778   16.380   0.7880   15.900   0.8452 0.4720000 1.156000 
1 1 1  -58    6   10 o   9.5110   0.9546   8.4180   1.4800   10.600   1.2060 -2.185000 1.909000 
1 1 1  -58    6   11 o   11.090   1.1320  ?   ?    11.090   1.1320      ?      ? 
1 1 1  -58    6   12 o   4.8420   1.2570   5.5920   1.8320   4.0920   1.7220 1.500000 2.515000 
1 1 1  -58    6   13 o   9.8290   0.6872   10.170   1.1400   9.4910   0.7679 0.6770000 1.374000 
1 1 1  -58    6   14 o   6.1680   0.9064   6.9630   1.0780   5.3720   1.4580 1.591000 1.813000 
1 1 1  -58    6   15 o   11.810   0.4377   11.470   0.6326   12.150   0.6051 -0.6813000 0.8754000 
1 1 1  -58    6   16 o   4.2700   0.8691   2.5680   1.1930   5.9720   1.2640 -3.403000 1.738000 
1 1 1  -58    6   17 o   4.4910   1.0340   4.3670   1.4720   4.6160   1.4520 -0.2485000 2.068000 
1 1 1  -58    6   18 o   6.8850   1.2790   5.7700   2.0190   8.0000   1.5720 -2.229000 2.559000 
1 1 1  -58    6   19 o   5.7690   1.0980   5.2790   1.6420   6.2590   1.4600 -0.9805000 2.197000 
1 1 1  -58    6   20 o   9.9620   0.5956   9.2680   0.8852   10.660   0.7972 -1.388000 1.191000 
1 1 1  -58    6   21 o   10.140   0.6164   9.3880   0.9244   10.900   0.8157 -1.513000 1.233000 
1 1 1  -58    6   22 o   10.920   0.5885   11.290   0.7986   10.540   0.8647 0.7533000 1.177000 
1 1 1  -58    6   23 o   10.400   0.6324   10.590   0.8612   10.220   0.9264 0.3698000 1.265000 
1 1 1  -58    6   24 o   6.5160   1.0430   6.4290   1.4630   6.6030   1.4860 -0.1737000 2.085000 
1 1 1  -58    6   25 o   9.0040   0.9124   8.9960   1.1970   9.0120   1.3780 -0.1586000E-01 1.825000 
1 1 1  -58    6   26 o   5.1520   1.2290   4.1880   1.6710   6.1150   1.8030 -1.927000 2.458000 
1 1 1  -58    6   27 o   12.450   0.5912   11.900   0.8708   12.990   0.7997 -1.092000 1.182000 
1 1 1  -58    6   28 o   4.7510   1.1830   4.3160   1.6420   5.1860   1.7030 -0.8701000 2.366000 
1 1 1  -58    6   29 o   5.0290   1.1800   4.5050   1.6690   5.5530   1.6680 -1.048000 2.360000 
1 1 1  -58    6   30 o   2.3050   0.8248   2.4600   1.2380   2.1500   1.0900 0.3102000 1.650000 
1 1 1  -58    8    1 o   7.5790   1.3730   9.4530   1.5780   5.7050   2.2480 3.747000 2.746000 
1 1 1  -58    8    2 o   11.550   1.0370   11.140   1.3240   11.950   1.5950 -0.8023000 2.073000 
1 1 1  -58    8    3 o   10.410   1.1760   9.4030   1.6260   11.410   1.6990 -2.010000 2.352000 
1 1 1  -58    8    4 o   13.490   0.8920   14.130   1.0390   12.850   1.4500 1.280000 1.784000 
1 1 1  -58    8    5 o   7.0680   1.2600   9.5280   1.5250   4.6080   2.0060 4.920000 2.520000 
1 1 1  -58    8    6 o   6.0450   1.4610   6.4620   1.9770   5.6280   2.1520 0.8335000 2.922000 
1 1 1  -58    8    7 o   19.460   0.6095   19.750   0.7721   19.160   0.9432 0.5864000 1.219000 
1 1 1  -58    8    8 o   21.040   0.5297   20.950   0.7279   21.120   0.7699 -0.1658000 1.059000 
1 1 1  -58    8    9 o   12.340   0.7965   11.590   1.1610   13.090   1.0910 -1.494000 1.593000 
1 1 1  -58    8   10 o   6.8600   1.3180   6.3340   1.8780   7.3850   1.8510 -1.051000 2.637000 
1 1 1  -58    8   11 f   23.790   0.4798   23.950   0.6620   23.640   0.6947 0.3087000 0.9596000 
1 1 1  -58    8   12 o   10.380   0.9343   9.5830   1.3950   11.170   1.2430 -1.589000 1.869000 
1 1 1  -58    8   13 o   12.170   0.7977   12.780   1.0340   11.560   1.2150 1.226000 1.595000 
1 1 1  -58    8   14 o   8.3640   0.9473   8.4460   0.8154   8.2830   1.7100 0.1629000 1.895000 
1 1 1  -58    8   15 o   15.040   0.4043   15.830   0.6029   14.260   0.5390 1.569000 0.8087000 
1 1 1  -58    8   16 o   17.360   0.3770   17.540   0.5340   17.190   0.5322 0.3517000 0.7539000 
1 1 1  -58    8   17 o   21.770   0.3058   22.410   0.4226   21.130   0.4421 1.277000 0.6116000 
1 1 1  -58    8   18 o   11.930   0.6491   12.510   0.9059   11.340   0.9299 1.167000 1.298000 
1 1 1  -58    8   19 o   6.2490   1.1010   6.3830   1.7110   6.1150   1.3850 0.2674000 2.201000 
1 1 1  -58    8   20 o   3.6640   1.0540   3.4500   1.4570   3.8780   1.5230 -0.4283000 2.108000 
1 1 1  -58    8   21 o   3.8170   1.0740   3.9960   1.5270   3.6380   1.5110 0.3575000 2.148000 
1 1 1  -58    8   22 o   11.110   0.6053   11.640   0.8000   10.570   0.9085 1.075000 1.211000 
1 1 1  -58    8   23 o   22.010   0.3924   21.990   0.5376   22.040   0.5717 -0.4948000E-01 0.7847000 
1 1 1  -58    8   24 o   6.8090   1.0300   7.4010   1.3300   6.2170   1.5720 1.183000 2.059000 
1 1 1  -58    8   25 o   7.4090   0.9821   7.1890   1.4200   7.6290   1.3570 -0.4399000 1.964000 
1 1 1  -58    8   26 o   6.5910   1.1830   7.2450   1.5110   5.9380   1.8200 1.307000 2.366000 
1 1 1  -58    8   27 o   4.0980   1.0890   5.1410   1.6530   3.0550   1.4190 2.085000 2.179000 
1 1 1  -58    8   28 o   11.480   0.6492   11.880   0.8689   11.080   0.9647 0.7927000 1.298000 
1 1 1  -58    8   29 o   3.0340   0.9909   2.9070   1.3590   3.1600   1.4420 -0.2533000 1.982000 
1 1 1  -58   10    1 o   12.860   0.7247   13.500   1.2080   12.230   0.8010 1.272000 1.449000 
1 1 1  -58   10    2 f   9.4820   1.7110   11.990   1.9830   6.9750   2.7880 5.014000 3.422000 
1 1 1  -58   10    3 f   9.4340   1.8480   8.5220   2.4800   10.350   2.7420 -1.824000 3.697000 
1 1 1  -58   10    4 o   6.0690   1.7580   6.5380   2.4730   5.6000   2.4990 0.9384000 3.516000 
1 1 1  -58   10    5 o   10.200   1.7730   11.300   2.2030   9.1020   2.7780 2.199000 3.545000 
1 1 1  -58   10    6 o   24.500   0.8458   24.190   1.1190   24.820   1.2690 -0.6316000 1.692000 
1 1 1  -58   10    7 o   13.520   1.8350   13.520   1.8350  ?   ?       ?      ? 
1 1 1  -58   10    8 o   10.210   1.5930   11.200   2.2100   9.2160   2.2940 1.986000 3.185000 
1 1 1  -58   10    9 f   8.9220   1.6930   8.5180   2.5570   9.3260   2.2200 -0.8087000 3.387000 
1 1 1  -58   10   10 o   4.8520   1.5140   5.7930   2.3950   3.9110   1.8540 1.882000 3.028000 
1 1 1  -58   10   11 o   8.2310   1.6520   6.3830   2.5030   10.080   2.1550 -3.695000 3.303000 
1 1 1  -58   10   12 o   11.750   1.1300   12.400   1.1560   11.110   1.9430 1.292000 2.261000 
1 1 1  -58   10   13 o   9.7060   1.0630   10.280   1.3670   9.1350   1.6280 1.142000 2.125000 
1 1 1  -58   10   14 o   5.6000   1.0790   4.7170   1.8740   6.4820   1.0680 -1.765000 2.157000 
1 1 1  -58   10   15 o   3.0790   0.8990   3.6390   1.3830   2.5190   1.1490 1.120000 1.798000 
1 1 1  -58   10   16 o   10.060   0.5244   10.800   0.6720   9.3290   0.8053 1.469000 1.049000 
1 1 1  -58   10   17 o   3.4410   0.9944   3.0230   1.3190   3.8590   1.4890 -0.8363000 1.989000 
1 1 1  -58   10   18 o   9.4480   0.8430   9.8710   1.1530   9.0240   1.2300 0.8464000 1.686000 
1 1 1  -58   10   19 o   10.230   0.7683   9.0420   1.3120   11.420   0.8001 -2.375000 1.537000 
1 1 1  -58   10   20 o   6.5160   1.0540   5.8540   1.5440   7.1780   1.4360 -1.324000 2.109000 
1 1 1  -58   10   21 o   12.090   0.6017   12.040   0.7989   12.150   0.8999 -0.1087000 1.203000 
1 1 1  -58   10   22 o   8.1050   0.8431   7.2950   1.2650   8.9140   1.1150 -1.620000 1.686000 
1 1 1  -58   10   23 o   10.950   0.6383   10.800   0.8963   11.090   0.9091 -0.2872000 1.277000 
1 1 1  -58   10   24 o   7.0100   1.0110   5.8820   1.5760   8.1390   1.2660 -2.257000 2.022000 
1 1 1  -58   10   25 f   8.8010   0.8449   7.7510   1.2880   9.8510   1.0940 -2.100000 1.690000 
1 1 1  -58   10   26 o   8.0210   1.0540   8.1210   1.3790   7.9200   1.5940 0.2009000 2.108000 
1 1 1  -58   10   27 o   6.5610   1.0980   7.1550   1.4190   5.9670   1.6750 1.189000 2.195000 
1 1 1  -58   10   28 o   3.1900   1.0180   2.7220   1.3030   3.6590   1.5660 -0.9366000 2.037000 
1 1 1  -58   12    1 o   18.880   0.4191   18.950   0.5982   18.810   0.5872 0.1317000 0.8382000 
1 1 1  -58   12    2 o   5.9320   1.5770   6.1870   2.1650   5.6780   2.2940 0.5087000 3.154000 
1 1 1  -58   12    3 o   6.7810   1.6070   6.2640   2.1640   7.2990   2.3760 -1.035000 3.214000 
1 1 1  -58   12    4 o   5.5040   1.5180   6.1270   2.1630   4.8800   2.1300 1.247000 3.036000 
1 1 1  -58   12    5 o   14.040   0.9485   14.200   1.2230   13.880   1.4500 0.3131000 1.897000 
1 1 1  -58   12    6 o   10.790   1.2120   11.100   1.5250   10.470   1.8830 0.6383000 2.423000 
1 1 1  -58   12    7 f   9.1280   1.2950   9.1050   1.8100   9.1510   1.8530 -0.4606000E-01 2.590000 
1 1 1  -58   12    8 o   11.100   1.0640   9.5860   1.6760   12.600   1.3110 -3.018000 2.127000 
1 1 1  -58   12    9 o   3.5710   1.1820   3.9450   1.7780   3.1960   1.5580 0.7488000 2.364000 
1 1 1  -58   12   10 o   19.340   0.6012   19.570   0.8232   19.110   0.8765 0.4679000 1.202000 
1 1 1  -58   12   11 o   11.360   0.9780   12.050   1.2290   10.670   1.5220 1.379000 1.956000 
1 1 1  -58   12   12 o   3.2790   1.1090   3.0700   1.4840   3.4880   1.6500 -0.4182000 2.219000 
1 1 1  -58   12   13 o   4.2280   1.8240   4.2280   1.8240  ?   ?       ?      ? 
1 1 1  -58   12   14 o   3.7590   0.9790   3.9730   1.3610   3.5450   1.4070 0.4277000 1.958000 
1 1 1  -58   12   15 o   2.8300   0.8696   3.0960   1.2700   2.5640   1.1880 0.5316000 1.739000 
1 1 1  -58   12   16 f   10.190   0.5184   9.7240   0.6946   10.670   0.7698 -0.9416000 1.037000 
1 1 1  -58   12   17 o   12.330   0.5171   12.030   0.7093   12.630   0.7528 -0.6055000 1.034000 
1 1 1  -58   12   18 o   9.5600   1.0670   8.2150   1.7120   10.910   1.2740 -2.690000 2.134000 
1 1 1  -58   12   19 o   13.240   0.4902   13.120   0.6636   13.360   0.7218 -0.2389000 0.9804000 
1 1 1  -58   12   20 o   4.7320   1.0810   3.4940   1.4730   5.9700   1.5820 -2.476000 2.161000 
1 1 1  -58   12   21 f   10.540   0.6470   10.530   0.8734   10.540   0.9547 -0.1458000E-01 1.294000 
1 1 1  -58   12   22 o   8.4990   0.8514   8.7010   1.1530   8.2980   1.2530 0.4028000 1.703000 
1 1 1  -58   12   23 o   5.1880   1.1830   5.2430   1.6580   5.1330   1.6890 0.1095000 2.367000 
1 1 1  -58   12   24 o   12.440   0.5920   12.560   0.8185   12.330   0.8556 0.2230000 1.184000 
1 1 1  -58   12   25 o   3.7110   1.1070   3.2510   1.4600   4.1720   1.6650 -0.9203000 2.214000 
1 1 1  -58   12   26 o   3.5420   1.1050   2.9240   1.3850   4.1600   1.7210 -1.236000 2.209000 
1 1 1  -58   12   27 o   2.2470   0.7918   1.9700   0.9980   2.5230   1.2300 -0.5535000 1.584000 
1 1 1  -58   14    1 o   6.0100   0.9393   7.6250   1.0830   4.3960   1.5350 3.228000 1.879000 
1 1 1  -58   14    2 o   12.690   0.5509   12.040   0.9290   13.330   0.5922 -1.292000 1.102000 
1 1 1  -58   14    3 o   7.4690   0.8770   7.8080   0.7086   7.1310   1.6050 0.6769000 1.754000 
1 1 1  -58   14    4 o   5.8100   1.7240   6.5070   2.5170   5.1130   2.3560 1.394000 3.447000 
1 1 1  -58   14    5 o   7.7270   1.6140   9.3370   1.8510   6.1170   2.6450 3.220000 3.228000 
1 1 1  -58   14    6 o   7.3790   1.6990   7.9860   2.0590   6.7710   2.7020 1.215000 3.398000 
1 1 1  -58   14    7 o   5.6690   1.5000   4.9920   2.0380   6.3470   2.2010 -1.355000 3.000000 
1 1 1  -58   14    8 o   13.700   0.8965   14.820   1.1480   12.580   1.3780 2.239000 1.793000 
1 1 1  -58   14    9 o   4.6240   1.4950   4.4950   2.0290   4.7530   2.1960 -0.2589000 2.990000 
1 1 1  -58   14   10 o   5.8120   1.6060   6.9390   2.3620   4.6840   2.1760 2.256000 3.211000 
1 1 1  -58   14   11 o   5.2970   1.5590   4.0430   1.8700   6.5510   2.4960 -2.508000 3.119000 
1 1 1  -58   14   12 f   2.6140   1.0780   2.6140   1.0780  ?   ?       ?      ? 
1 1 1  -58   14   13 o   6.5540   1.1420   6.5540   1.1420  ?   ?       ?      ? 
1 1 1  -58   14   14 o   10.780   0.5052   10.800   0.6426   10.770   0.7798 0.3109000E-01 1.010000 
1 1 1  -58   14   15 o   9.4290   0.5976   10.020   0.6909   8.8370   0.9753 1.183000 1.195000 
1 1 1  -58   14   16 o   5.8460   0.9397   7.3660   1.0200   4.3270   1.5790 3.038000 1.879000 
1 1 1  -58   14   17 o   9.1070   0.9481   9.9010   1.1160   8.3140   1.5330 1.587000 1.896000 
1 1 1  -58   14   18 o   4.9710   1.2340   5.0000   1.8200   4.9430   1.6670 0.5664000E-01 2.468000 
1 1 1  -58   14   19 o   4.7260   1.1630   4.6520   1.6110   4.8000   1.6770 -0.1487000 2.326000 
1 1 1  -58   14   20 o   6.1880   1.1220   6.0370   1.5640   6.3390   1.6100 -0.3019000 2.245000 
1 1 1  -58   14   21 o   6.8740   1.0670   7.6490   1.3200   6.0990   1.6760 1.550000 2.133000 
1 1 1  -58   14   22 o   17.410   0.4553   17.340   0.6384   17.480   0.6494 -0.1442000 0.9107000 
1 1 1  -58   14   23 o   11.500   0.6487   11.910   0.8570   11.090   0.9740 0.8207000 1.297000 
1 1 1  -58   14   24 o   3.1680   1.0150   2.8270   1.3330   3.5080   1.5310 -0.6809000 2.030000 
1 1 1  -58   14   25 o   4.2010   1.1910   4.7280   1.7580   3.6750   1.6070 1.053000 2.382000 
1 1 1  -58   14   26 f   3.0300   1.0000   3.4540   1.5530   2.6050   1.2610 0.8486000 2.000000 
1 1 1  -58   16    1 o   6.1840   0.9950   5.8890   1.4060   6.4790   1.4080 -0.5898000 1.990000 
1 1 1  -58   16    2 o   7.4570   0.8196   8.2280   0.9400   6.6860   1.3430 1.542000 1.639000 
1 1 1  -58   16    3 o   12.930   0.4536   13.210   0.5643   12.660   0.7103 0.5441000 0.9072000 
1 1 1  -58   16    4 o   11.410   0.4705   10.920   0.6341   11.890   0.6954 -0.9746000 0.9411000 
1 1 1  -58   16    5 o   9.4970   0.6739   9.8430   1.0690   9.1510   0.8211 0.6918000 1.348000 
1 1 1  -58   16    6 o   5.1620   1.2130   4.0120   1.5820   6.3120   1.8390 -2.300000 2.426000 
1 1 1  -58   16    7 o   11.350   0.5993   10.980   0.7937   11.710   0.8982 -0.7355000 1.199000 
1 1 1  -58   16    8 o   16.860   0.4329   17.650   0.5417   16.070   0.6754 1.576000 0.8658000 
1 1 1  -58   16    9 o   5.4830   0.9092   7.6640   1.0600   3.3020   1.4770 4.362000 1.818000 
1 1 1  -58   16   10 o   8.5670   0.6621   7.7640   1.0600   9.3700   0.7942 -1.606000 1.324000 
1 1 1  -58   16   11 f   10.690   0.4853   10.900   0.6045   10.480   0.7594 0.4223000 0.9707000 
1 1 1  -58   16   12 o   6.4250   0.8535   5.5720   1.2350   7.2780   1.1790 -1.706000 1.707000 
1 1 1  -58   16   13 o   12.790   0.4497   12.180   0.5945   13.390   0.6749 -1.209000 0.8994000 
1 1 1  -58   16   14 o   10.360   0.5908   11.130   0.6823   9.5780   0.9647 1.555000 1.182000 
1 1 1  -58   16   15 o   5.3810   1.1030   5.9140   1.3330   4.8470   1.7570 1.068000 2.206000 
1 1 1  -58   16   16 o   7.4410   1.1150   6.7670   1.5980   8.1140   1.5560 -1.347000 2.231000 
1 1 1  -58   16   17 o   4.3830   1.1140   3.5120   1.4700   5.2530   1.6740 -1.740000 2.228000 
1 1 1  -58   16   18 o   2.9590   0.9706   2.8890   1.3380   3.0290   1.4070 -0.1398000 1.941000 
1 1 1  -58   16   19 o   10.640   0.7030   11.670   0.8312   9.6200   1.1340 2.048000 1.406000 
1 1 1  -58   16   20 o   10.700   0.7125   9.9850   1.0510   11.410   0.9620 -1.427000 1.425000 
1 1 1  -58   16   21 o   10.320   0.7556   10.750   1.0390   9.8990   1.0970 0.8481000 1.511000 
1 1 1  -58   16   22 o   5.6750   1.1700   5.5840   1.6480   5.7660   1.6620 -0.1824000 2.340000 
1 1 1  -58   16   23 o   5.5600   1.1640   4.9300   1.6840   6.1910   1.6080 -1.261000 2.329000 
1 1 1  -58   16   24 o   5.0150   1.2380   4.1230   1.7070   5.9070   1.7930 -1.784000 2.475000 
1 1 1  -58   18    1 o   7.0370   1.0890   8.4950   1.2310   5.5790   1.7980 2.915000 2.179000 
1 1 1  -58   18    2 o   4.8530   1.2310   4.6050   1.6840   5.1000   1.7960 -0.4952000 2.462000 
1 1 1  -58   18    3 o   5.2740   1.1490   5.4720   1.4810   5.0760   1.7560 0.3957000 2.297000 
1 1 1  -58   18    4 o   2.1630   0.7550   2.2570   1.1000   2.0680   1.0350 0.1895000 1.510000 
1 1 1  -58   18    5 o   3.8290   1.0630   3.2490   1.3990   4.4080   1.6020 -1.159000 2.127000 
1 1 1  -58   18    6 o   4.4370   1.0540   5.3690   1.4820   3.5050   1.4980 1.865000 2.107000 
1 1 1  -58   18    7 o   3.6430   1.0460   3.4300   1.4250   3.8560   1.5320 -0.4255000 2.092000 
1 1 1  -58   18    8 o   7.2840   0.9047   9.1060   0.8959   5.4610   1.5720 3.645000 1.809000 
1 1 1  -58   18    9 o   13.060   0.4962   14.470   0.5849   11.660   0.8019 2.804000 0.9925000 
1 1 1  -58   18   10 o   8.6060   0.7686   9.6830   0.8696   7.5290   1.2680 2.154000 1.537000 
1 1 1  -58   18   11 o   13.900   0.4679   13.080   0.6611   14.720   0.6623 -1.649000 0.9358000 
1 1 1  -58   18   12 o   11.860   0.5216   11.890   0.7020   11.830   0.7716 0.5548000E-01 1.043000 
1 1 1  -58   18   13 o   3.9610   1.1480   3.5110   1.5330   4.4100   1.7100 -0.8990000 2.296000 
1 1 1  -58   18   14 o   4.6510   1.2060   3.7470   1.5850   5.5560   1.8190 -1.809000 2.413000 
1 1 1  -58   18   15 o   3.8340   1.0830   4.0240   1.5350   3.6430   1.5290 0.3812000 2.167000 
1 1 1  -58   18   16 o   3.0870   0.9932   3.0970   1.3970   3.0780   1.4120 0.1899000E-01 1.986000 
1 1 1  -58   18   17 o   8.5500   0.8527   8.4610   1.1380   8.6380   1.2700 -0.1773000 1.705000 
1 1 1  -58   18   18 o   4.1170   1.1350   4.6990   1.6520   3.5360   1.5580 1.163000 2.271000 
1 1 1  -58   18   19 o   4.5870   1.1580   5.3870   1.6820   3.7880   1.5930 1.600000 2.316000 
1 1 1  -58   18   20 o   5.5750   1.1700   6.2870   1.6150   4.8640   1.6950 1.423000 2.341000 
1 1 1  -58   18   21 o   4.6120   1.3010   4.5840   1.8970   4.6410   1.7820 -0.5640000E-01 2.603000 
1 1 1  -58   18   22 o   3.1520   1.0420   2.8830   1.3860   3.4200   1.5560 -0.5365000 2.083000 
1 1 1  -58   20    1 o   3.8900   1.1370   3.3590   1.4900   4.4210   1.7180 -1.062000 2.274000 
1 1 1  -58   20    2 o   3.0750   0.9845   3.5750   1.5220   2.5750   1.2500 0.9994000 1.969000 
1 1 1  -58   20    3 o   9.6690   0.8662   10.590   0.9053   8.7450   1.4770 1.849000 1.732000 
1 1 1  -58   20    4 o   8.8600   0.7943   8.8900   1.0810   8.8300   1.1640 0.5952000E-01 1.589000 
1 1 1  -58   20    5 o   8.6610   0.8526   8.4090   1.3030   8.9120   1.1000 -0.5025000 1.705000 
1 1 1  -58   20    6 o   4.3830   1.2410   4.2520   1.6850   4.5140   1.8240 -0.2617000 2.483000 
1 1 1  -58   20    7 o   11.720   0.7208   11.540   1.0020   11.890   1.0360 -0.3440000 1.442000 
1 1 1  -58   20    8 o   7.9000   1.0890   8.2000   1.4470   7.6000   1.6270 0.5992000 2.177000 
1 1 1  -58   20    9 o   6.0780   1.2080   7.0640   1.5970   5.0920   1.8140 1.971000 2.416000 
1 1 1  -58   20   10 o   3.1600   1.0130   2.8090   1.3500   3.5120   1.5110 -0.7026000 2.026000 
1 1 1  -58   20   11 o   3.8930   1.0630   4.8090   1.6180   2.9770   1.3780 1.832000 2.125000 
1 1 1  -58   20   12 o   10.440   0.6781   11.650   0.7975   9.2230   1.0970 2.430000 1.356000 
1 1 1  -58   20   13 o   9.8970   0.6848   8.9330   1.0440   10.860   0.8864 -1.927000 1.370000 
1 1 1  -58   20   14 o   8.3410   0.8387   7.6810   1.2880   9.0010   1.0740 -1.320000 1.677000 
1 1 1  -58   20   15 o   6.0350   1.1130   5.5010   1.6380   6.5690   1.5070 -1.068000 2.226000 
1 1 1  -58   20   16 o   4.7240   1.2050   5.4240   1.7890   4.0240   1.6160 1.399000 2.411000 
1 1 1  -58   20   17 o   2.9090   0.9826   2.7970   1.3520   3.0210   1.4270 -0.2236000 1.965000 
1 1 1  -58   20   18 o   4.2290   1.1650   5.1970   1.7840   3.2620   1.4990 1.936000 2.330000 
1 1 1  -58   20   19 o   7.3650   1.0590   7.6400   1.3670   7.0900   1.6170 0.5498000 2.118000 
1 1 1  -58   20   20 o   3.3730   1.5720   3.3730   1.5720  ?   ?       ?      ? 
1 1 1  -58   22    1 o   3.3070   1.0490   4.0780   1.6870   2.5360   1.2480 1.542000 2.099000 
1 1 1  -58   22    2 o   5.9910   1.1420   7.8030   1.5210   4.1790   1.7030 3.624000 2.283000 
1 1 1  -58   22    3 o   7.4590   1.1880   8.1120   1.3800   6.8060   1.9330 1.306000 2.375000 
1 1 1  -58   22    4 o   7.1850   1.0740   9.3300   1.2150   5.0390   1.7720 4.291000 2.149000 
1 1 1  -58   22    5 o   3.4810   1.0950   3.6850   1.5990   3.2780   1.4980 0.4070000 2.191000 
1 1 1  -58   22    6 o   3.6590   1.1360   3.6450   1.5860   3.6730   1.6270 -0.2870000E-01 2.272000 
1 1 1  -58   22    7 o   4.6050   1.1360   3.1160   1.4500   6.0950   1.7500 -2.980000 2.273000 
1 1 1  -58   22    8 o   4.6130   1.1700   3.4020   1.5340   5.8230   1.7680 -2.422000 2.341000 
1 1 1  -58   22    9 o   3.6600   1.1280   3.6350   1.5910   3.6850   1.6000 -0.4989000E-01 2.256000 
1 1 1  -58   22   10 o   3.8520   1.1560   3.4790   1.5560   4.2250   1.7110 -0.7457000 2.313000 
1 1 1  -58   22   11 o   3.0270   1.0040   3.2010   1.4770   2.8520   1.3600 0.3496000 2.007000 
1 1 1  -58   22   12 o   6.3600   1.2110   6.5640   1.6910   6.1560   1.7340 0.4079000 2.422000 
1 1 1  -58   22   13 o   4.7620   1.1790   5.5540   1.6400   3.9700   1.6950 1.585000 2.359000 
1 1 1  -58   22   14 o   6.4550   1.0650   6.3570   1.5220   6.5530   1.4910 -0.1962000 2.131000 
1 1 1  -58   22   15 o   6.9090   1.0190   6.4990   1.5130   7.3190   1.3640 -0.8209000 2.037000 
1 1 1  -58   22   16 o   3.9410   1.1180   4.1690   1.6240   3.7120   1.5380 0.4565000 2.237000 
1 1 1  -58   24    1 o   2.6900   0.9239   2.8210   1.3670   2.5590   1.2440 0.2619000 1.848000 
1 1 1  -58   24    2 o   2.3060   0.8188   2.7330   1.3290   1.8790   0.9563 0.8543000 1.638000 
1 1 1  -58   24    3 o   2.7810   0.9601   2.5930   1.2750   2.9680   1.4360 -0.3750000 1.920000 
1 1 1  -58   24    4 o   3.3740   1.0680   3.9910   1.6840   2.7570   1.3150 1.234000 2.136000 
1 1 1  -58   24    5 o   3.6650   1.0760   2.8830   1.3700   4.4460   1.6580 -1.563000 2.151000 
1 1 1  -58   24    6 o   2.8590   0.9514   2.4920   1.2160   3.2250   1.4630 -0.7331000 1.903000 
1 1 1  -58   24    7 o   2.6820   0.9079   2.6360   1.2700   2.7280   1.2980 -0.9150000E-01 1.816000 
1 1 1  -58   24    8 o   2.8880   0.9545   3.1780   1.4400   2.5980   1.2540 0.5800000 1.909000 
1 1 1  -58   24    9 o   5.0280   1.1370   6.0200   1.6050   4.0370   1.6120 1.983000 2.275000 
1 1 1  -58   24   10 o   3.0540   0.9869   3.3660   1.4810   2.7430   1.3050 0.6224000 1.974000 
1 1 1  -58   24   11 o   2.0720   1.0760   2.0720   1.0760  ?   ?       ?      ? 
1 1 1  -57    1    1 o   7.9540   0.8033   8.6380   1.1180   7.2700   1.1540 1.368000 1.607000 
1 1 1  -57    1    2 o   4.5280   1.0980   5.2820   1.6350   3.7750   1.4650 1.507000 2.196000 
1 1 1  -57    1    3 o   6.9300   0.7909   6.9490   1.1530   6.9120   1.0830 0.3741000E-01 1.582000 
1 1 1  -57    1    4 o   15.570   0.3455   15.440   0.5063   15.700   0.4704 -0.2617000 0.6911000 
1 1 1  -57    1    5 o   10.240   0.4738   10.470   0.6795  10.0000   0.6605 0.4697000 0.9476000 
1 1 1  -57    1    6 o   30.240   0.2824   30.290   0.4311   30.180   0.3650 0.1167000 0.5649000 
1 1 1  -57    1    7 o   8.9650   0.5686   9.6460   0.8663   8.2830   0.7368 1.363000 1.137000 
1 1 1  -57    1    8 o   11.560   0.4634   11.430   0.7504   11.690   0.5440 -0.2616000 0.9268000 
1 1 1  -57    1    9 o   39.370   0.2867   39.420   0.4055   39.320   0.4053 0.9760000E-01 0.5733000 
1 1 1  -57    1   10 f   32.060   0.2762   32.090   0.4192   32.040   0.3596 0.4810000E-01 0.5524000 
1 1 1  -57    1   11 o   41.050   0.3116   41.040   0.4679   41.050   0.4116 -0.1772000E-01 0.6232000 
1 1 1  -57    1   12 o   22.360   0.2801   22.480   0.3953   22.230   0.3969 0.2450000 0.5602000 
1 1 1  -57    1   13 o   13.790   0.3704   13.960   0.5289   13.620   0.5188 0.3376000 0.7409000 
1 1 1  -57    1   14 o   26.370   0.2557   26.500   0.3636   26.240   0.3597 0.2619000 0.5114000 
1 1 1  -57    1   15 o   24.940   0.3000   24.700   0.4329   25.180   0.4154 -0.4859000 0.6000000 
1 1 1  -57    1   16 o   17.140   0.3123   17.450   0.4378   16.820   0.4454 0.6280000 0.6245000 
1 1 1  -57    1   17 o   17.980   0.3149   17.660   0.4534   18.300   0.4372 -0.6404000 0.6298000 
1 1 1  -57    1   18 o   5.8860   0.8975   4.9010   1.4130   6.8710   1.1070 -1.970000 1.795000 
1 1 1  -57    1   19 o   15.310   0.3745   15.260   0.5276   15.360   0.5317 -0.1023000 0.7490000 
1 1 1  -57    1   20 o   8.4730   0.6915   9.4590   0.8433   7.4880   1.0960 1.971000 1.383000 
1 1 1  -57    1   21 o   24.410   0.2991   24.120   0.4248   24.710   0.4211 -0.5824000 0.5981000 
1 1 1  -57    1   22 o   6.5100   0.9501   6.9300   1.2700   6.0900   1.4130 0.8397000 1.900000 
1 1 1  -57    1   23 o   4.1120   1.1440   4.8540   1.7380   3.3700   1.4890 1.484000 2.288000 
1 1 1  -57    1   24 o   14.960   0.5337   14.770   0.7356   15.160   0.7736 -0.3851000 1.067000 
1 1 1  -57    1   25 o   6.4740   1.0840   6.6820   1.5160   6.2670   1.5500 0.4155000 2.169000 
1 1 1  -57    1   26 o   5.9990   1.1310   6.4380   1.5680   5.5600   1.6300 0.8782000 2.262000 
1 1 1  -57    1   27 o   21.140   0.3927   21.010   0.5560   21.280   0.5548 -0.2683000 0.7855000 
1 1 1  -57    1   28 o   11.670   0.7801   12.140   1.0510   11.190   1.1530 0.9471000 1.560000 
1 1 1  -57    1   29 o   3.6170   1.1380   3.0240   1.4460   4.2110   1.7570 -1.187000 2.276000 
1 1 1  -57    1   30 o   3.2060   1.0070   3.9880   1.6210   2.4250   1.1940 1.563000 2.013000 
1 1 1  -57    1   31 o   3.5960   1.0900   3.9650   1.6150   3.2260   1.4630 0.7393000 2.179000 
1 1 1  -57    3    1 o   3.6600   0.9445   3.2090   1.3510   4.1120   1.3200 -0.9031000 1.889000 
1 1 1  -57    3    2 o   5.3440   0.9501   4.3820   1.5210   6.3060   1.1390 -1.925000 1.900000 
1 1 1  -57    3    3 o   13.080   0.4031   13.370   0.5965   12.800   0.5424 0.5724000 0.8063000 
1 1 1  -57    3    4 o   7.9380   0.8383   7.7570   1.5730   8.1180   0.5801 -0.3608000 1.677000 
1 1 1  -57    3    5 o   23.490   0.4645   24.130   0.5913   22.850   0.7165 1.277000 0.9290000 
1 1 1  -57    3    6 o   13.580   0.9108   15.410   1.0100   11.740   1.5160 3.673000 1.822000 
1 1 1  -57    3    7 o   25.160   0.5575   25.790   0.7547   24.530   0.8209 1.256000 1.115000 
1 1 1  -57    3    8 o   16.330   0.6404   17.340   0.6984   15.310   1.0740 2.026000 1.281000 
1 1 1  -57    3    9 o   18.480   0.4739   18.510   0.6580   18.450   0.6822 0.5964000E-01 0.9479000 
1 1 1  -57    3   10 o   36.980   0.3471   36.980   0.5809   36.980   0.3800 -0.4501000E-03 0.6942000 
1 1 1  -57    3   11 o   7.5330   0.7130   7.9310   0.9016   7.1350   1.1050 0.7957000 1.426000 
1 1 1  -57    3   12 o   5.2350   0.8761   6.4360   1.1990   4.0330   1.2780 2.403000 1.752000 
1 1 1  -57    3   13 o   24.950   0.2553   24.740   0.3666   25.150   0.3554 -0.4038000 0.5106000 
1 1 1  -57    3   14 o   4.8420   0.8241   6.7120   1.0670   2.9730   1.2560 3.740000 1.648000 
1 1 1  -57    3   15 o   12.540   0.4015   12.660   0.5799   12.430   0.5555 0.2358000 0.8031000 
1 1 1  -57    3   16 o   32.450   0.3192   32.500   0.4617   32.410   0.4410 0.8492000E-01 0.6385000 
1 1 1  -57    3   17 o   10.540   0.5838   11.140   0.8219   9.9290   0.8294 1.214000 1.168000 
1 1 1  -57    3   18 o   6.3370   0.8464   6.6560   1.1680   6.0170   1.2260 0.6395000 1.693000 
1 1 1  -57    3   19 o   14.360   0.3996   13.680   0.6005   15.040   0.5273 -1.356000 0.7992000 
1 1 1  -57    3   20 o   21.760   0.3090   22.050   0.4322   21.470   0.4417 0.5755000 0.6179000 
1 1 1  -57    3   21 o   5.1580   1.0960   6.5820   1.5540   3.7340   1.5440 2.847000 2.191000 
1 1 1  -57    3   22 o   18.410   0.4316   18.240   0.6394   18.570   0.5800 -0.3315000 0.8633000 
1 1 1  -57    3   23 o   6.7500   0.9597   7.4670   1.2290   6.0320   1.4750 1.435000 1.919000 
1 1 1  -57    3   24 o   5.2800   1.1310   4.8420   1.6240   5.7190   1.5750 -0.8774000 2.262000 
1 1 1  -57    3   25 o   12.710   0.6203   13.370   0.7958   12.060   0.9518 1.306000 1.241000 
1 1 1  -57    3   26 o   4.0130   1.1040   4.8360   1.6690   3.1900   1.4450 1.646000 2.208000 
1 1 1  -57    3   27 f   7.4660   1.0980   9.7680   1.1960   5.1650   1.8410 4.603000 2.195000 
1 1 1  -57    3   28 o   5.7470   1.1870   5.7300   1.6900   5.7640   1.6670 -0.3433000E-01 2.374000 
1 1 1  -57    3   29 o   6.3870   1.2970   6.1950   1.8270   6.5800   1.8410 -0.3849000 2.594000 
1 1 1  -57    3   30 o   2.7710   0.9496   3.2400   1.5050   2.3010   1.1590 0.9384000 1.899000 
1 1 1  -57    3   31 o   2.9690   0.9758   2.5560   1.2430   3.3820   1.5040 -0.8265000 1.952000 
1 1 1  -57    5    1 o   2.6490   0.8465   2.9980   1.3000   2.3010   1.0840 0.6974000 1.693000 
1 1 1  -57    5    2 o   8.1310   0.9357   7.6440   1.7530   8.6170   0.6550 -0.9723000 1.871000 
1 1 1  -57    5    3 o   10.180   1.0560   10.150   1.3130   10.200   1.6540 -0.4910000E-01 2.111000 
1 1 1  -57    5    4 o   9.3970   1.1450   9.1150   1.4640   9.6800   1.7600 -0.5647000 2.289000 
1 1 1  -57    5    5 o   11.960   0.8631   11.450   1.1370   12.470   1.2990 -1.025000 1.726000 
1 1 1  -57    5    6 o   19.430   0.5549   19.550   0.7005   19.310   0.8607 0.2415000 1.110000 
1 1 1  -57    5    7 o   8.5400   1.1630   9.2010   1.3500   7.8790   1.8950 1.321000 2.326000 
1 1 1  -57    5    8 o   7.2390   1.3490   7.9270   1.5480   6.5520   2.2100 1.375000 2.698000 
1 1 1  -57    5    9 f   20.130   0.4745   20.680   0.6456   19.570   0.6956 1.101000 0.9491000 
1 1 1  -57    5   10 o   15.940   0.5528   15.140   0.7891   16.740   0.7743 -1.595000 1.106000 
1 1 1  -57    5   11 o   17.100   0.5224   17.870   0.6893   16.320   0.7851 1.549000 1.045000 
1 1 1  -57    5   12 o   12.500   0.6653   12.480   0.9321   12.530   0.9497 -0.5262000E-01 1.331000 
1 1 1  -57    5   13 o   17.880   0.3364   18.030   0.4537   17.730   0.4969 0.2960000 0.6728000 
1 1 1  -57    5   14 o   9.7420   0.5302   9.6050   0.8061   9.8800   0.6888 -0.2748000 1.060000 
1 1 1  -57    5   15 o   18.070   0.3127   18.180   0.4448   17.960   0.4396 0.2233000 0.6254000 
1 1 1  -57    5   16 o   6.3260   0.8361   5.8190   1.3000   6.8340   1.0520 -1.015000 1.672000 
1 1 1  -57    5   17 o   12.320   0.5401   12.600   0.7603   12.040   0.7674 0.5656000 1.080000 
1 1 1  -57    5   18 o   8.6250   0.7918   7.9590   1.2100   9.2900   1.0210 -1.331000 1.584000 
1 1 1  -57    5   19 o   5.8550   0.9766   4.4300   1.5980   7.2800   1.1240 -2.849000 1.953000 
1 1 1  -57    5   20 o   8.2880   0.8318   8.7680   1.1360   7.8070   1.2150 0.9604000 1.664000 
1 1 1  -57    5   21 o   6.3290   0.9642   5.5870   1.4440   7.0710   1.2780 -1.484000 1.928000 
1 1 1  -57    5   22 o   17.760   0.3803   18.120   0.5310   17.390   0.5446 0.7321000 0.7606000 
1 1 1  -57    5   23 o   14.050   0.4757   14.270   0.6623   13.840   0.6830 0.4305000 0.9514000 
1 1 1  -57    5   24 o   5.2480   1.1370   5.4910   1.5880   5.0060   1.6280 0.4855000 2.274000 
1 1 1  -57    5   25 o   4.3300   1.2650   3.7680   1.6380   4.8920   1.9280 -1.124000 2.530000 
1 1 1  -57    5   26 o   9.0240   0.9914   9.4750   1.2960   8.5720   1.5010 0.9030000 1.983000 
1 1 1  -57    5   27 o   12.950   0.5703   13.110   0.7918   12.800   0.8208 0.3129000 1.141000 
1 1 1  -57    5   28 o   9.4990   0.7880   10.100   1.0170   8.8930   1.2040 1.211000 1.576000 
1 1 1  -57    5   29 o   18.270   0.4336   18.380   0.6001   18.150   0.6259 0.2302000 0.8671000 
1 1 1  -57    5   30 o   2.6670   0.9269   2.3600   1.1790   2.9740   1.4300 -0.6139000 1.854000 
1 1 1  -57    7    1 o   7.2730   0.9842   8.2840   1.7390   6.2630   0.9223 2.021000 1.968000 
1 1 1  -57    7    2 f   9.3690   1.2570   9.5980   1.5360   9.1400   1.9890 0.4576000 2.513000 
1 1 1  -57    7    3 o   10.420   1.1390   10.400   1.4390   10.440   1.7670 -0.4331000E-01 2.279000 
1 1 1  -57    7    4 o   4.8690   1.3800   5.4490   1.9760   4.2890   1.9250 1.160000 2.759000 
1 1 1  -57    7    5 o   5.8430   1.4540   4.9970   1.9210   6.6880   2.1840 -1.691000 2.908000 
1 1 1  -57    7    6 o   12.230   0.9062   12.510   1.1090   11.950   1.4340 0.5587000 1.812000 
1 1 1  -57    7    7 o   33.220   0.4616   33.130   0.6151   33.310   0.6884 -0.1878000 0.9232000 
1 1 1  -57    7    8 o   7.1200   1.3080   7.4410   1.7480   6.7980   1.9470 0.6428000 2.616000 
1 1 1  -57    7    9 o   8.1460   1.1510   8.5520   1.4810   7.7410   1.7610 0.8113000 2.301000 
1 1 1  -57    7   10 o   14.130   0.6523   13.630   0.9260   14.630   0.9189 -1.004000 1.305000 
1 1 1  -57    7   11 o   22.600   0.4704   23.120   0.6387   22.090   0.6908 1.029000 0.9408000 
1 1 1  -57    7   12 o   11.610   0.7931   12.500   0.9983   10.710   1.2330 1.788000 1.586000 
1 1 1  -57    7   13 o   9.5460   0.9409   9.5340   1.2800   9.5580   1.3800 -0.2398000E-01 1.882000 
1 1 1  -57    7   14 o   8.6680   0.6299   8.1090   0.9021   9.2260   0.8794 -1.117000 1.260000 
1 1 1  -57    7   15 o   17.290   0.3223   17.690   0.4504   16.890   0.4611 0.8009000 0.6446000 
1 1 1  -57    7   16 o   23.100   0.3170   23.680   0.4862   22.530   0.4070 1.150000 0.6341000 
1 1 1  -57    7   17 o   14.420   0.4549   14.380   0.6644   14.460   0.6216 -0.8303000E-01 0.9098000 
1 1 1  -57    7   18 o   7.6770   1.2790   8.0700   1.8730   7.2850   1.7410 0.7845000 2.557000 
1 1 1  -57    7   19 o   11.400   0.5241   12.690   0.6442   10.120   0.8269 2.576000 1.048000 
1 1 1  -57    7   20 o   4.6760   1.0780   4.6140   1.5100   4.7380   1.5380 -0.1241000 2.155000 
1 1 1  -57    7   21 o   4.4450   1.0980   4.7210   1.5450   4.1690   1.5600 0.5520000 2.195000 
1 1 1  -57    7   22 o   5.2270   1.0750   6.1470   1.4440   4.3070   1.5930 1.840000 2.150000 
1 1 1  -57    7   23 o   5.3490   1.1310   5.3710   1.5640   5.3270   1.6340 0.4367000E-01 2.262000 
1 1 1  -57    7   24 o   9.6280   0.8183   9.9600   1.0630   9.2960   1.2440 0.6640000 1.637000 
1 1 1  -57    7   25 f   10.960   0.7651   12.830   0.7747   9.0900   1.3190 3.740000 1.530000 
1 1 1  -57    7   26 o   10.120   0.8195   9.9990   1.1120   10.230   1.2040 -0.2342000 1.639000 
1 1 1  -57    7   27 o   9.4000   0.7973   9.3770   1.1140   9.4240   1.1410 -0.4795000E-01 1.595000 
1 1 1  -57    7   28 o   3.4250   1.0400   2.5390   1.2340   4.3110   1.6750 -1.772000 2.081000 
1 1 1  -57    7   29 o   6.2680   1.0850   4.7190   1.6710   7.8160   1.3840 -3.096000 2.170000 
1 1 1  -57    7   30 o   6.0530   1.2750   5.1430   1.8400   6.9620   1.7650 -1.819000 2.550000 
1 1 1  -57    9    1 o   14.490   1.2470   14.280   1.5630   14.700   1.9430 -0.4204000 2.494000 
1 1 1  -57    9    2 f   9.2720   1.5350   7.4620   2.4990   11.080   1.7830 -3.620000 3.070000 
1 1 1  -57    9    3 o   16.240   0.7848   17.170   0.9197   15.300   1.2720 1.865000 1.570000 
1 1 1  -57    9    4 o   22.860   0.5806   23.040   0.7180   22.670   0.9127 0.3679000 1.161000 
1 1 1  -57    9    5 o   14.310   0.8262   13.340   1.1080   15.280   1.2260 -1.944000 1.652000 
1 1 1  -57    9    6 o   6.9220   1.4750   7.0420   1.9510   6.8020   2.2120 0.2393000 2.949000 
1 1 1  -57    9    7 o   7.9600   1.4730   9.2440   1.5580   6.6760   2.4990 2.568000 2.945000 
1 1 1  -57    9    8 o   7.4120   1.3160   6.3910   1.9350   8.4340   1.7850 -2.043000 2.633000 
1 1 1  -57    9    9 o   16.380   0.6299   16.490   0.8572   16.260   0.9233 0.2291000 1.260000 
1 1 1  -57    9   10 o   5.9830   1.3710   5.9760   1.9020   5.9910   1.9750 -0.1499000E-01 2.742000 
1 1 1  -57    9   11 o   10.810   0.9270   11.030   1.2350   10.600   1.3830 0.4325000 1.854000 
1 1 1  -57    9   12 o   25.280   0.7166   25.230   1.0660   25.320   0.9580 -0.8946000E-01 1.433000 
1 1 1  -57    9   13 o   14.540   1.0570   14.120   1.6030   14.950   1.3800 -0.8327000 2.115000 
1 1 1  -57    9   14 o   7.2320   0.7604   6.4310   1.1570   8.0330   0.9865 -1.602000 1.521000 
1 1 1  -57    9   15 o   26.840   0.3076   26.790   0.4440   26.880   0.4257 -0.9170000E-01 0.6151000 
1 1 1  -57    9   16 o   4.3770   1.0090   4.3230   1.4260   4.4300   1.4270 -0.1072000 2.018000 
1 1 1  -57    9   17 o   2.8480   0.9022   2.7240   1.2360   2.9720   1.3150 -0.2476000 1.804000 
1 1 1  -57    9   18 o   3.3000   1.0490   2.8740   1.3730   3.7260   1.5870 -0.8517000 2.099000 
1 1 1  -57    9   19 o   13.840   0.4467   13.380   0.6421   14.300   0.6212 -0.9203000 0.8934000 
1 1 1  -57    9   20 o   11.180   0.5749   12.010   0.7433   10.340   0.8772 1.661000 1.150000 
1 1 1  -57    9   21 o   12.170   0.5404   11.470   0.7790   12.870   0.7492 -1.396000 1.081000 
1 1 1  -57    9   22 o   9.7080   0.7725   8.0990   1.2220   11.320   0.9452 -3.218000 1.545000 
1 1 1  -57    9   23 o   4.7810   1.1240   3.9680   1.5560   5.5930   1.6230 -1.626000 2.249000 
1 1 1  -57    9   24 o   15.180   0.4772   14.690   0.6804   15.670   0.6692 -0.9819000 0.9543000 
1 1 1  -57    9   25 o   5.5240   1.0430   3.5890   1.5240   7.4590   1.4240 -3.870000 2.086000 
1 1 1  -57    9   26 o   5.1350   1.2450   5.6240   1.7250   4.6460   1.7970 0.9776000 2.491000 
1 1 1  -57    9   27 o   4.5830   1.1590   5.2510   1.6500   3.9140   1.6270 1.337000 2.317000 
1 1 1  -57    9   28 f   3.6120   1.0840   4.0230   1.6020   3.2010   1.4610 0.8228000 2.168000 
1 1 1  -57    9   29 o   2.9700   0.9792   2.8800   1.3540   3.0610   1.4150 -0.1809000 1.958000 
1 1 1  -57   11    1 o   12.550   0.7653   12.510   1.3550   12.590   0.7121 -0.8260000E-01 1.531000 
1 1 1  -57   11    2 o   5.7820   1.5470   5.7670   2.0850   5.7960   2.2860 -0.2956000E-01 3.094000 
1 1 1  -57   11    3 o   10.530   1.2580   11.280   1.4350   9.7900   2.0660 1.486000 2.516000 
1 1 1  -57   11    4 o   22.580   0.6097   22.980   0.7662   22.180   0.9486 0.8023000 1.219000 
1 1 1  -57   11    5 o   14.990   0.8467   15.310   1.0650   14.660   1.3170 0.6566000 1.693000 
1 1 1  -57   11    6 o   9.4330   1.3130   9.8870   1.6520   8.9800   2.0410 0.9065000 2.626000 
1 1 1  -57   11    7 o   5.7210   1.4710   5.6650   2.0760   5.7780   2.0850 -0.1127000 2.942000 
1 1 1  -57   11    8 o   4.1990   1.2930   3.8570   1.7530   4.5420   1.9010 -0.6845000 2.586000 
1 1 1  -57   11    9 o   12.480   0.8820   13.040   1.1780   11.930   1.3130 1.114000 1.764000 
1 1 1  -57   11   10 o   5.8550   1.4270   5.9000   1.9950   5.8090   2.0420 0.9102000E-01 2.855000 
1 1 1  -57   11   11 o   4.3120   1.3040   3.7400   1.7040   4.8830   1.9740 -1.143000 2.608000 
1 1 1  -57   11   12 o   11.770   0.9323   10.010   1.4710   13.530   1.1460 -3.517000 1.865000 
1 1 1  -57   11   13 o   8.1480   1.2570   6.0160   2.0140   10.280   1.5050 -4.263000 2.514000 
1 1 1  -57   11   14 o   10.040   0.5055   10.380   0.6540   9.7080   0.7710 0.6709000 1.011000 
1 1 1  -57   11   15 o   2.9510   0.8893   2.7000   1.1860   3.2020   1.3260 -0.5021000 1.779000 
1 1 1  -57   11   16 o   14.790   0.3853   14.520   0.5385   15.060   0.5513 -0.5413000 0.7706000 
1 1 1  -57   11   17 o   12.060   0.4851   12.230   0.6493   11.890   0.7209 0.3401000 0.9702000 
1 1 1  -57   11   18 o   9.8630   0.8471   9.1120   1.3010   10.610   1.0860 -1.502000 1.694000 
1 1 1  -57   11   19 o   6.8570   0.9884   5.9200   1.4900   7.7950   1.3000 -1.875000 1.977000 
1 1 1  -57   11   20 o   4.7430   1.1380   5.5400   1.6020   3.9450   1.6160 1.595000 2.275000 
1 1 1  -57   11   21 o   3.6850   1.0750   3.6490   1.4980   3.7210   1.5430 -0.7223000E-01 2.150000 
1 1 1  -57   11   22 o   3.9820   1.1130   3.6760   1.5120   4.2890   1.6330 -0.6130000 2.226000 
1 1 1  -57   11   23 o   6.2560   1.1070   6.6830   1.4750   5.8290   1.6520 0.8542000 2.215000 
1 1 1  -57   11   24 o   4.5160   1.1100   3.1380   1.4950   5.8930   1.6430 -2.755000 2.221000 
1 1 1  -57   11   25 o   12.310   0.6534   12.520   0.8180   12.090   1.0190 0.4313000 1.307000 
1 1 1  -57   11   26 o   2.5410   0.8856   2.5750   1.2580   2.5060   1.2470 0.6887000E-01 1.771000 
1 1 1  -57   11   27 o   7.5870   1.0040   7.1600   1.4550   8.0140   1.3830 -0.8533000 2.007000 
1 1 1  -57   11   28 o   2.0040   0.7177   1.9120   0.9721   2.0950   1.0560 -0.1834000 1.435000 
1 1 1  -57   13    1 f   12.100   0.5813   11.810   0.9528   12.390   0.6663 -0.5778000 1.163000 
1 1 1  -57   13    2 o   5.0510   1.1080   5.6430   1.5550   4.4590   1.5780 1.184000 2.215000 
1 1 1  -57   13    3 o   6.0400   1.5770   6.4690   2.1690   5.6110   2.2900 0.8588000 3.154000 
1 1 1  -57   13    4 o   6.3880   1.5940   5.5340   2.1350   7.2420   2.3680 -1.708000 3.188000 
1 1 1  -57   13    5 o   9.1890   1.4380   9.6350   1.7780   8.7420   2.2600 0.8928000 2.876000 
1 1 1  -57   13    6 o   6.3770   1.4450   8.3560   1.9840   4.3980   2.1010 3.958000 2.890000 
1 1 1  -57   13    7 o   4.0520   1.2820   4.7210   1.9780   3.3830   1.6300 1.339000 2.563000 
1 1 1  -57   13    8 o   3.4840   1.1680   3.7500   1.7370   3.2190   1.5630 0.5310000 2.337000 
1 1 1  -57   13    9 o   6.7690   1.3340   4.4900   1.9040   9.0480   1.8680 -4.558000 2.668000 
1 1 1  -57   13   10 o   16.390   0.6866   16.380   0.9509   16.410   0.9908 -0.3326000E-01 1.373000 
1 1 1  -57   13   11 o   7.0750   1.4180   7.6500   1.9090   6.4990   2.0970 1.151000 2.835000 
1 1 1  -57   13   12 o   13.580   0.5947   13.340   1.1160   13.810   0.4106 -0.4721000 1.189000 
1 1 1  -57   13   13 o   11.020   0.4769   11.500   0.5835   10.550   0.7545 0.9406000 0.9538000 
1 1 1  -57   13   14 o   8.8700   0.5620   8.8910   0.7236   8.8490   0.8602 0.4188000E-01 1.124000 
1 1 1  -57   13   15 o   2.6200   0.8601   2.4490   1.1410   2.7900   1.2870 -0.3415000 1.720000 
1 1 1  -57   13   16 o   10.650   0.5690   9.7480   0.7895   11.550   0.8197 -1.804000 1.138000 
1 1 1  -57   13   17 o   13.890   0.7763   12.860   1.3150   14.920   0.8249 -2.059000 1.553000 
1 1 1  -57   13   18 o   4.1960   1.1750   4.6140   1.7770   3.7790   1.5380 0.8344000 2.350000 
1 1 1  -57   13   19 o   5.5070   1.0670   6.3170   1.3840   4.6980   1.6250 1.619000 2.135000 
1 1 1  -57   13   20 o   3.8490   1.0810   3.0310   1.3780   4.6660   1.6660 -1.635000 2.162000 
1 1 1  -57   13   21 o   6.2760   1.0970   6.2020   1.5050   6.3500   1.5950 -0.1485000 2.193000 
1 1 1  -57   13   22 o   4.9440   1.1800   4.2260   1.6330   5.6620   1.7040 -1.435000 2.360000 
1 1 1  -57   13   23 o   10.930   0.7025   12.020   0.8620   9.8460   1.1100 2.174000 1.405000 
1 1 1  -57   13   24 o   3.7200   1.1120   3.4000   1.4980   4.0400   1.6440 -0.6398000 2.224000 
1 1 1  -57   13   25 o   5.2150   1.2540   5.5170   1.7360   4.9120   1.8120 0.6050000 2.509000 
1 1 1  -57   13   26 o   3.1190   1.0060   2.6480   1.2880   3.5900   1.5460 -0.9423000 2.012000 
1 1 1  -57   13   27 o   2.4900   0.8609   2.5510   1.2400   2.4300   1.1950 0.1211000 1.722000 
1 1 1  -57   15    1 o   4.2960   1.0550   3.5580   1.4350   5.0350   1.5480 -1.476000 2.111000 
1 1 1  -57   15    2 o   7.1130   0.8255   7.9210   1.0190   6.3060   1.2990 1.616000 1.651000 
1 1 1  -57   15    3 o   6.5410   0.8572   6.7000   1.0920   6.3810   1.3220 0.3186000 1.714000 
1 1 1  -57   15    4 o   6.8840   1.1810   7.1760   1.6260   6.5930   1.7140 0.5835000 2.363000 
1 1 1  -57   15    5 o   14.790   0.5316   14.910   0.6728   14.670   0.8233 0.2420000 1.063000 
1 1 1  -57   15    6 o   13.120   1.1000   11.600   2.0460   14.650   0.8074 -3.053000 2.199000 
1 1 1  -57   15    7 o   18.820   0.6960   18.730   1.2520   18.910   0.6090 -0.1780000 1.392000 
1 1 1  -57   15    8 o   5.6960   1.4090   5.9210   2.3610   5.4700   1.5380 0.4505000 2.818000 
1 1 1  -57   15    9 o   6.0420   1.4460   6.9440   2.3990   5.1390   1.6170 1.805000 2.893000 
1 1 1  -57   15   10 o   11.270   0.5544   11.440   0.6342   11.090   0.9095 0.3537000 1.109000 
1 1 1  -57   15   11 o   3.0660   0.9677   3.1470   1.3390   2.9850   1.3970 0.1614000 1.935000 
1 1 1  -57   15   12 o   4.5460   0.9783   4.6240   1.2960   4.4680   1.4660 0.1561000 1.957000 
1 1 1  -57   15   13 o   4.5430   1.0190   4.3760   1.3710   4.7100   1.5080 -0.3344000 2.038000 
1 1 1  -57   15   14 o   13.390   0.4366   13.300   0.5561   13.480   0.6731 -0.1855000 0.8731000 
1 1 1  -57   15   15 o   3.3390   0.9986   3.2040   1.3560   3.4740   1.4660 -0.2700000 1.997000 
1 1 1  -57   15   16 o   9.9560   0.8191   9.7290   1.1350   10.180   1.1810 -0.4553000 1.638000 
1 1 1  -57   15   17 o   9.2810   0.8255   8.8250   1.2980   9.7380   1.0210 -0.9133000 1.651000 
1 1 1  -57   15   18 o   3.0950   1.0030   3.2540   1.4650   2.9370   1.3710 0.3170000 2.007000 
1 1 1  -57   15   19 o   3.2950   1.0250   2.4560   1.2040   4.1340   1.6600 -1.678000 2.050000 
1 1 1  -57   15   20 o   11.630   0.6540   12.650   0.7803   10.610   1.0500 2.039000 1.308000 
1 1 1  -57   15   21 o   7.4230   1.0160   5.9210   1.6100   8.9260   1.2390 -3.005000 2.031000 
1 1 1  -57   15   22 o   7.3800   1.0310   8.4020   1.2360   6.3580   1.6500 2.044000 2.062000 
1 1 1  -57   15   23 o   10.430   0.7174   10.870   0.9413   9.9960   1.0830 0.8718000 1.435000 
1 1 1  -57   15   24 o   3.6400   1.1130   3.7990   1.5780   3.4810   1.5700 0.3177000 2.226000 
1 1 1  -57   15   25 o   7.6820   1.1290   7.5010   1.6230   7.8630   1.5690 -0.3622000 2.257000 
1 1 1  -57   15   26 o   2.8430   0.9915   3.0610   1.4560   2.6250   1.3460 0.4357000 1.983000 
1 1 1  -57   17    1 o   4.9590   1.2160   4.7090   1.6680   5.2100   1.7710 -0.5017000 2.433000 
1 1 1  -57   17    2 o   5.4750   1.0910   5.7520   1.5090   5.1970   1.5740 0.5544000 2.181000 
1 1 1  -57   17    3 o   9.3290   0.7369   9.2770   0.8648   9.3800   1.1930 -0.1026000 1.474000 
1 1 1  -57   17    4 o   16.640   0.3996   17.700   0.4897   15.580   0.6317 2.116000 0.7992000 
1 1 1  -57   17    5 o   7.6030   0.7714   6.7660   1.1370   8.4400   1.0430 -1.674000 1.543000 
1 1 1  -57   17    6 o   10.540   0.5397   10.540   0.7231   10.550   0.8015 -0.3841000E-02 1.079000 
1 1 1  -57   17    7 o   7.6330   0.7256   7.1120   1.0300   8.1540   1.0220 -1.042000 1.451000 
1 1 1  -57   17    8 o   3.5780   0.9602   4.3320   1.4240   2.8240   1.2880 1.508000 1.920000 
1 1 1  -57   17    9 o   10.280   0.5669   11.020   0.6843   9.5440   0.9040 1.473000 1.134000 
1 1 1  -57   17   10 o   6.9080   0.8611   6.6030   1.1720   7.2130   1.2620 -0.6101000 1.722000 
1 1 1  -57   17   11 o   11.620   0.5274   12.030   0.6515   11.210   0.8294 0.8158000 1.055000 
1 1 1  -57   17   12 o   10.750   0.5582   10.320   0.7546   11.180   0.8228 -0.8597000 1.116000 
1 1 1  -57   17   13 o   6.4100   0.9685   6.6240   1.2520   6.1960   1.4780 0.4276000 1.937000 
1 1 1  -57   17   14 o   7.1430   1.1220   6.3600   1.6750   7.9260   1.4940 -1.567000 2.245000 
1 1 1  -57   17   15 o   4.7260   1.2380   4.2530   1.6930   5.2000   1.8060 -0.9477000 2.475000 
1 1 1  -57   17   16 o   4.4920   1.0790   3.2040   1.4080   5.7800   1.6350 -2.576000 2.158000 
1 1 1  -57   17   17 o   5.2440   1.0640   6.6980   1.4110   3.7890   1.5930 2.909000 2.128000 
1 1 1  -57   17   18 o   9.8920   0.7386   10.380   0.9517   9.4060   1.1300 0.9722000 1.477000 
1 1 1  -57   17   19 o   4.6900   1.2030   4.6430   1.6720   4.7360   1.7310 -0.9271000E-01 2.406000 
1 1 1  -57   17   20 o   3.6160   1.1030   3.8630   1.5980   3.3700   1.5200 0.4936000 2.205000 
1 1 1  -57   17   21 o   6.3350   1.1200   7.4660   1.4300   5.2030   1.7230 2.264000 2.239000 
1 1 1  -57   17   22 o   3.8910   1.0900   4.9070   1.7050   2.8750   1.3570 2.032000 2.179000 
1 1 1  -57   17   23 o   7.0460   1.2170   7.2490   1.7150   6.8420   1.7280 0.4073000 2.435000 
1 1 1  -57   17   24 o   3.2700   1.1030   3.3090   1.5720   3.2320   1.5470 0.7711000E-01 2.206000 
1 1 1  -57   19    1 o   3.5890   1.0760   3.7510   1.5480   3.4280   1.4940 0.3230000 2.151000 
1 1 1  -57   19    2 o   4.1030   1.0070   5.5200   1.5550   2.6860   1.2790 2.834000 2.014000 
1 1 1  -57   19    3 o   8.9070   0.9524   10.070   1.0840   7.7440   1.5660 2.327000 1.905000 
1 1 1  -57   19    4 o   5.7110   1.2210   4.9940   1.7250   6.4290   1.7300 -1.435000 2.443000 
1 1 1  -57   19    5 o   7.1290   1.0870   8.3070   1.2960   5.9510   1.7460 2.356000 2.175000 
1 1 1  -57   19    6 o   5.2860   1.2440   5.0750   1.7350   5.4980   1.7820 -0.4225000 2.487000 
1 1 1  -57   19    7 o   4.2350   1.1980   4.0280   1.6420   4.4420   1.7450 -0.4139000 2.396000 
1 1 1  -57   19    8 o   2.5810   0.8909   2.8070   1.3400   2.3560   1.1740 0.4514000 1.782000 
1 1 1  -57   19    9 o   11.750   0.7445   10.850   1.0400   12.650   1.0650 -1.807000 1.489000 
1 1 1  -57   19   10 o   22.070   0.4345   22.530   0.5878   21.610   0.6402 0.9150000 0.8691000 
1 1 1  -57   19   11 o   3.6760   1.1360   3.4100   1.5320   3.9420   1.6780 -0.5319000 2.272000 
1 1 1  -57   19   12 o   3.6570   1.1240   3.1770   1.4610   4.1360   1.7080 -0.9596000 2.248000 
1 1 1  -57   19   13 o   3.8690   1.0720   3.3370   1.4420   4.4010   1.5860 -1.064000 2.144000 
1 1 1  -57   19   14 o   3.6230   1.0910   3.3940   1.5190   3.8520   1.5670 -0.4583000 2.183000 
1 1 1  -57   19   15 o   3.1540   1.0050   3.1690   1.4210   3.1390   1.4220 0.3066000E-01 2.010000 
1 1 1  -57   19   16 o   9.1650   0.8005   9.4720   1.0570   8.8590   1.2020 0.6125000 1.601000 
1 1 1  -57   19   17 f   10.790   0.6913   9.9890   1.0200   11.580   0.9330 -1.594000 1.383000 
1 1 1  -57   19   18 o   5.7810   1.1650   6.2970   1.5790   5.2650   1.7130 1.031000 2.329000 
1 1 1  -57   19   19 o   2.6770   0.9253   2.7460   1.3360   2.6080   1.2810 0.1384000 1.851000 
1 1 1  -57   19   20 o   6.2240   1.2570   5.6790   1.8210   6.7690   1.7340 -1.091000 2.514000 
1 1 1  -57   19   21 o   3.9810   1.1610   4.8360   1.8020   3.1260   1.4640 1.710000 2.321000 
1 1 1  -57   19   22 o   7.4290   1.3040   9.8110   1.2650   5.0470   2.2810 4.763000 2.608000 
1 1 1  -57   21    1 f   5.4290   1.2470   4.7980   1.8290   6.0600   1.6970 -1.263000 2.495000 
1 1 1  -57   21    2 o   10.500   0.7935   11.460   1.0950   9.5400   1.1490 1.917000 1.587000 
1 1 1  -57   21    3 o   5.7100   1.1860   7.1330   1.5590   4.2880   1.7890 2.845000 2.373000 
1 1 1  -57   21    4 o   14.400   0.5331   15.130   0.6985   13.670   0.8054 1.459000 1.066000 
1 1 1  -57   21    5 o   10.430   0.7065   10.030   0.9934   10.820   1.0050 -0.7847000 1.413000 
1 1 1  -57   21    6 o   3.2540   1.0360   3.4480   1.5090   3.0600   1.4190 0.3883000 2.072000 
1 1 1  -57   21    7 o   4.9060   1.1610   3.9750   1.6090   5.8380   1.6750 -1.863000 2.322000 
1 1 1  -57   21    8 o   9.2890   0.8288   10.370   0.9942   8.2110   1.3260 2.156000 1.658000 
1 1 1  -57   21    9 o   10.370   0.7084   10.380   0.9729   10.360   1.0300 0.1337000E-01 1.417000 
1 1 1  -57   21   10 o   11.600   0.6381   11.060   0.9100   12.140   0.8948 -1.078000 1.276000 
1 1 1  -57   21   11 o   9.3670   0.7929   9.5640   1.0690   9.1710   1.1710 0.3933000 1.586000 
1 1 1  -57   21   12 o   4.6970   1.1840   4.7030   1.6550   4.6900   1.6950 0.1303000E-01 2.369000 
1 1 1  -57   21   13 o   3.3030   1.0480   3.7590   1.6110   2.8470   1.3410 0.9125000 2.096000 
1 1 1  -57   21   14 o   5.5020   1.1320   7.2890   1.6000   3.7140   1.6030 3.575000 2.265000 
1 1 1  -57   21   15 o   4.7430   1.2280   5.4930   1.7950   3.9930   1.6760 1.501000 2.456000 
1 1 1  -57   21   16 o   2.3700   0.8354   2.0700   1.0480   2.6690   1.3010 -0.5998000 1.671000 
1 1 1  -57   21   17 o   2.8270   0.9531   2.4260   1.1890   3.2280   1.4900 -0.8027000 1.906000 
1 1 1  -57   21   18 o   3.9620   1.1290   4.1020   1.6160   3.8230   1.5760 0.2791000 2.257000 
1 1 1  -57   21   19 o   2.4780   0.8601   2.8170   1.3290   2.1390   1.0920 0.6780000 1.720000 
1 1 1  -57   23    1 o   3.1800   1.0300   2.7300   1.3380   3.6300   1.5660 -0.8992000 2.060000 
1 1 1  -57   23    2 o   2.7780   0.9489   3.0600   1.4530   2.4950   1.2210 0.5648000 1.898000 
1 1 1  -57   23    3 o   4.1780   1.1750   3.0040   1.4360   5.3510   1.8600 -2.346000 2.350000 
1 1 1  -57   23    4 o   4.0620   1.1660   5.0060   1.8380   3.1190   1.4370 1.887000 2.333000 
1 1 1  -57   23    5 o   5.3610   1.2350   4.5920   1.8250   6.1310   1.6650 -1.538000 2.470000 
1 1 1  -57   23    6 o   3.6170   1.1340   3.7670   1.6730   3.4680   1.5300 0.2984000 2.267000 
1 1 1  -57   23    7 o   2.6160   0.9067   2.5910   1.2860   2.6410   1.2790 -0.4983000E-01 1.813000 
1 1 1  -57   23    8 o   4.0370   1.1560   3.5350   1.5780   4.5400   1.6900 -1.005000 2.313000 
1 1 1  -57   23    9 o   2.3130   0.8117   2.2480   1.1220   2.3780   1.1730 -0.1303000 1.623000 
1 1 1  -57   23   10 o   3.0910   1.0010   3.5140   1.5360   2.6680   1.2840 0.8458000 2.002000 
1 1 1  -57   23   11 o   6.8370   1.0700   7.1220   1.4720   6.5520   1.5550 0.5708000 2.141000 
1 1 1  -57   23   12 o   5.8160   1.1550   5.9870   1.6240   5.6460   1.6420 0.3412000 2.309000 
1 1 1  -57   23   13 o   2.9120   0.9595   2.7680   1.3110   3.0560   1.4020 -0.2876000 1.919000 
1 1 1  -57   23   14 o   5.2450   1.1590   4.6770   1.6530   5.8120   1.6250 -1.135000 2.318000 
1 1 1  -57   23   15 o   4.8710   1.3190   4.7020   1.9170   5.0400   1.8110 -0.3387000 2.637000 
1 1 1  -57   25    1 o   1.2610   0.6580   1.2610   0.6580  ?   ?       ?      ? 
1 1 1  -57   25    2 o   2.0690   0.7572   1.9550   1.0060   2.1820   1.1320 -0.2269000 1.514000 
1 1 1  -57   25    3 o   2.5260   0.9094   2.5410   1.2760   2.5120   1.2960 0.2843000E-01 1.819000 
1 1 1  -57   25    4 o   2.1510   0.7684   2.0940   1.0510   2.2080   1.1210 -0.1135000 1.537000 
1 1 1  -57   25    5 o   2.6240   0.8999   2.7370   1.3210   2.5110   1.2220 0.2264000 1.800000 
1 1 1  -57   25    6 o   2.5610   0.9001   2.4530   1.2520   2.6690   1.2940 -0.2156000 1.800000 
1 1 1  -57   25    7 o   2.2430   1.1530  ?   ?    2.2430   1.1530      ?      ? 
1 1 1  -56    0    1 o   33.540   0.4027   33.540   0.4027   33.540   0.4027 0.000000 0.000000 
1 1 1  -56    0    2 f   18.490   0.4694   18.490   0.4694   18.490   0.4694 0.000000 0.000000 
1 1 1  -56    0    3 o   12.400   0.6331   12.400   0.6331   12.400   0.6331 -0.000000 0.000000 
1 1 1  -56    0    4 o   9.9080   0.7612   9.9080   0.7612   9.9080   0.7612 -0.000000 0.000000 
1 1 1  -56    0    5 o   2.1860   1.4070   2.1860   1.4070   2.1860   1.4070 0.000000 0.000000 
1 1 1  -56    0    6 o   1.8830   1.2650   1.8830   1.2650   1.8830   1.2650 0.000000 0.000000 
1 1 1  -56    0    7 o   12.450   0.5640   12.450   0.5640   12.450   0.5640 0.000000 0.000000 
1 1 1  -56    0    8 o   22.180   0.3765   22.180   0.3765   22.180   0.3765 -0.000000 0.000000 
1 1 1  -56    0    9 o   7.5030   0.8717   7.5030   0.8717   7.5030   0.8717 0.000000 0.000000 
1 1 1  -56    0   10 o   6.1710   1.0610   6.1710   1.0610   6.1710   1.0610 0.000000 0.000000 
1 1 1  -56    0   11 o   24.910   0.3913   24.910   0.3913   24.910   0.3913 -0.000000 0.000000 
1 1 1  -56    0   12 o   6.5610   0.9903   6.5610   0.9903   6.5610   0.9903 -0.000000 0.000000 
1 1 1  -56    0   13 o   6.0830   1.4580   6.0830   1.4580   6.0830   1.4580 0.000000 0.000000 
1 1 1  -56    0   15 o   33.940   0.3807   33.940   0.3807   33.940   0.3807 0.000000 0.000000 
1 1 1  -56    0   16 o   12.550   0.5656   12.550   0.5656   12.550   0.5656 0.000000 0.000000 
1 1 1  -56    0   17 o   3.2710   1.6910   3.2710   1.6910   3.2710   1.6910 -0.000000 0.000000 
1 1 1  -56    0   18 o   13.440   0.5652   13.440   0.5652   13.440   0.5652 0.000000 0.000000 
1 1 1  -56    0   19 o   35.110   0.4070   35.110   0.4070   35.110   0.4070 -0.000000 0.000000 
1 1 1  -56    0   20 o   4.6040   1.7540   4.6040   1.7540   4.6040   1.7540 0.000000 0.000000 
1 1 1  -56    0   21 o   17.730   0.4961   17.730   0.4961   17.730   0.4961 -0.000000 0.000000 
1 1 1  -56    0   22 o   2.9450   1.7050   2.9450   1.7050   2.9450   1.7050 0.000000 0.000000 
1 1 1  -56    0   23 f   15.480   0.8618   15.480   0.8618   15.480   0.8618 -0.000000 0.000000 
1 1 1  -56    0   24 o   3.1550   1.9670   3.1550   1.9670   3.1550   1.9670 0.000000 0.000000 
1 1 1  -56    0   25 o   6.3320   1.7670   6.3320   1.7670   6.3320   1.7670 -0.000000 0.000000 
1 1 1  -56    0   26 o   15.070   0.6914   15.070   0.6914   15.070   0.6914 0.000000 0.000000 
1 1 1  -56    0   27 o   1.6640   1.2020   1.6640   1.2020   1.6640   1.2020 -0.000000 0.000000 
1 1 1  -56    0   28 o   25.890   0.7371   25.890   0.7371   25.890   0.7371 -0.000000 0.000000 
1 1 1  -56    0   29 o   2.1770   1.5610   2.1770   1.5610   2.1770   1.5610 -0.000000 0.000000 
1 1 1  -56    0   30 o   1.9600   1.3750   1.9600   1.3750   1.9600   1.3750 -0.000000 0.000000 
1 1 1  -56    0   31 o   1.9330   1.3580   1.9330   1.3580   1.9330   1.3580 0.000000 0.000000 
1 1 1  -56    2    1 o   4.4930   0.9831   5.3150   1.4140   3.6720   1.3660 1.642000 1.966000 
1 1 1  -56    2    2 o   3.2080   0.9720   3.2440   1.4120   3.1720   1.3360 0.7211000E-01 1.944000 
1 1 1  -56    2    3 o   3.2600   0.9934   3.6100   1.5390   2.9100   1.2570 0.7005000 1.987000 
1 1 1  -56    2    4 o   5.1870   0.9880   6.9030   1.3740   3.4700   1.4200 3.432000 1.976000 
1 1 1  -56    2    5 o   5.4010   1.0350   6.4020   1.4440   4.4000   1.4840 2.002000 2.070000 
1 1 1  -56    2    6 o   24.200   0.3206   23.650   0.4307   24.760   0.4750 -1.114000 0.6412000 
1 1 1  -56    2    7 f   11.340   0.4581   11.950   0.5107   10.740   0.7606 1.210000 0.9162000 
1 1 1  -56    2    8 o   21.090   0.3135   21.020   0.3779   21.160   0.5004 -0.1385000 0.6271000 
1 1 1  -56    2    9 o   8.6830   0.7686   8.2550   1.1950   9.1110   0.9673 -0.8556000 1.537000 
1 1 1  -56    2   10 o   5.6300   1.1350   7.3990   1.6730   3.8610   1.5360 3.538000 2.271000 
1 1 1  -56    2   11 o   5.5930   0.8005   5.3870   1.1890   5.8000   1.0720 -0.4129000 1.601000 
1 1 1  -56    2   12 o   3.7630   0.9155   4.1370   1.3180   3.3890   1.2710 0.7478000 1.831000 
1 1 1  -56    2   13 o   12.240   0.3783   12.200   0.5516   12.290   0.5178 -0.8884000E-01 0.7566000 
1 1 1  -56    2   14 o   4.3150   0.9591   4.5240   1.3670   4.1060   1.3460 0.4179000 1.918000 
1 1 1  -56    2   15 o   11.130   0.4744   10.800   0.6624   11.470   0.6793 -0.6678000 0.9488000 
1 1 1  -56    2   16 o   16.600   0.3739   16.810   0.5391   16.380   0.5183 0.4287000 0.7478000 
1 1 1  -56    2   17 o   20.970   0.2894   20.850   0.4124   21.090   0.4061 -0.2429000 0.5788000 
1 1 1  -56    2   18 o   34.160   0.2821   34.270   0.4044   34.050   0.3935 0.2254000 0.5643000 
1 1 1  -56    2   19 o   23.290   0.2917   22.830   0.4207   23.750   0.4040 -0.9202000 0.5833000 
1 1 1  -56    2   20 o   13.910   0.4172   13.970   0.5825   13.850   0.5973 0.1190000 0.8343000 
1 1 1  -56    2   21 o   4.1820   1.0540   3.6580   1.4520   4.7050   1.5290 -1.047000 2.109000 
1 1 1  -56    2   22 o   9.9870   0.7236   9.4290   1.1210   10.550   0.9151 -1.117000 1.447000 
1 1 1  -56    2   23 o   15.700   0.4485   15.230   0.6222   16.180   0.6460 -0.9458000 0.8969000 
1 1 1  -56    2   24 o   3.3270   1.0530   3.3810   1.4880   3.2720   1.4900 0.1097000 2.106000 
1 1 1  -56    2   25 o   5.9200   1.1650   5.9130   1.6960   5.9260   1.5980 -0.1281000E-01 2.331000 
1 1 1  -56    2   26 o   3.8020   1.1110   3.7310   1.5630   3.8740   1.5800 -0.1433000 2.222000 
1 1 1  -56    2   27 o   3.6190   1.1260   3.0270   1.4320   4.2110   1.7380 -1.185000 2.252000 
1 1 1  -56    2   28 o   17.740   0.5298   17.560   0.7488   17.910   0.7498 -0.3539000 1.060000 
1 1 1  -56    2   29 o   3.5660   1.1420   3.8260   1.6800   3.3060   1.5460 0.5198000 2.283000 
1 1 1  -56    2   30 o   3.3230   1.0540   3.3700   1.4970   3.2760   1.4840 0.9322000E-01 2.108000 
1 1 1  -56    2   31 o   6.9500   1.0820   6.0280   1.6600   7.8720   1.3870 -1.843000 2.164000 
1 1 1  -56    4    1 o   9.9120   0.5357   9.2050   0.8518   10.620   0.6500 -1.415000 1.071000 
1 1 1  -56    4    2 o   13.430   0.3737   12.830   0.5719   14.030   0.4813 -1.206000 0.7475000 
1 1 1  -56    4    3 o  10.0000   1.0230   9.3480   1.3840   10.660   1.5060 -1.309000 2.046000 
1 1 1  -56    4    4 o   9.3350   1.0880   8.3400   1.5460   10.330   1.5320 -1.991000 2.176000 
1 1 1  -56    4    5 o   11.210   0.8783   11.400   1.0950   11.010   1.3730 0.3955000 1.757000 
1 1 1  -56    4    6 o   16.320   0.6098   15.570   0.8187   17.070   0.9039 -1.503000 1.220000 
1 1 1  -56    4    7 o   25.260   0.4503   24.860   0.5960   25.660   0.6752 -0.7976000 0.9006000 
1 1 1  -56    4    8 o   13.530   0.8023   13.790   0.8545   13.270   1.3580 0.5186000 1.605000 
1 1 1  -56    4    9 o   19.110   0.4723   19.770   0.6456   18.450   0.6894 1.315000 0.9445000 
1 1 1  -56    4   10 o   20.290   0.4468   20.040   0.6215   20.540   0.6420 -0.5016000 0.8935000 
1 1 1  -56    4   11 o   3.7930   1.0330   5.0050   1.7430   2.5810   1.1100 2.423000 2.066000 
1 1 1  -56    4   12 o   29.610   0.3006   30.020   0.4222   29.200   0.4281 0.8172000 0.6013000 
1 1 1  -56    4   13 o   12.390   0.4065   12.100   0.6235   12.670   0.5217 -0.5701000 0.8130000 
1 1 1  -56    4   14 o   9.9800   0.4889   9.5880   0.7314   10.370   0.6490 -0.7828000 0.9778000 
1 1 1  -56    4   15 o   3.1750   0.9122   2.6370   1.2080   3.7130   1.3670 -1.076000 1.824000 
1 1 1  -56    4   16 o   14.000   0.3804   14.140   0.5467   13.860   0.5293 0.2794000 0.7609000 
1 1 1  -56    4   17 o   11.440   0.5638   11.260   0.8305   11.610   0.7626 -0.3476000 1.128000 
1 1 1  -56    4   18 o   4.1870   0.9762   5.2050   1.4170   3.1680   1.3430 2.037000 1.952000 
1 1 1  -56    4   19 o   13.670   0.4160   13.800   0.5840   13.540   0.5927 0.2639000 0.8321000 
1 1 1  -56    4   20 o   3.6140   1.0570   3.7310   1.5510   3.4980   1.4360 0.2334000 2.114000 
1 1 1  -56    4   21 o   6.6090   1.0540   6.7250   1.5040   6.4930   1.4770 0.2323000 2.108000 
1 1 1  -56    4   22 o   9.2770   0.6669   8.6790   0.9947   9.8750   0.8887 -1.197000 1.334000 
1 1 1  -56    4   23 o   22.200   0.3370   21.920   0.4830   22.470   0.4701 -0.5561000 0.6740000 
1 1 1  -56    4   24 o   21.070   0.3576   21.390   0.5011   20.750   0.5104 0.6474000 0.7152000 
1 1 1  -56    4   25 o   6.6790   1.1560   6.3700   1.6100   6.9880   1.6590 -0.6184000 2.312000 
1 1 1  -56    4   26 o   11.730   0.8052   10.130   1.1060   13.320   1.1710 -3.191000 1.610000 
1 1 1  -56    4   27 o   9.8860   0.8774   11.070   1.0470   8.7060   1.4090 2.360000 1.755000 
1 1 1  -56    4   28 o   6.5040   1.1070   7.3300   1.4260   5.6780   1.6930 1.652000 2.214000 
1 1 1  -56    4   29 o   14.230   0.5461   14.200   0.7556   14.260   0.7886 -0.6064000E-01 1.092000 
1 1 1  -56    4   30 o   4.5750   1.2040   6.7180   2.0780   2.4320   1.2190 4.287000 2.409000 
1 1 1  -56    4   31 o   11.650   0.6443   11.770   0.8974   11.530   0.9249 0.2405000 1.289000 
1 1 1  -56    6    1 o   11.370   0.4063   11.280   0.5479   11.460   0.6002 -0.1748000 0.8127000 
1 1 1  -56    6    2 f   18.870   0.6200   19.340   0.7713   18.390   0.9709 0.9536000 1.240000 
1 1 1  -56    6    3 o   12.700   0.8772   12.950   1.0410   12.450   1.4120 0.4917000 1.754000 
1 1 1  -56    6    4 o   17.130   0.6551   17.010   0.8262   17.240   1.0170 -0.2260000 1.310000 
1 1 1  -56    6    5 o   17.540   0.6332   17.340   0.8019   17.730   0.9802 -0.3836000 1.266000 
1 1 1  -56    6    6 o   28.190   0.4669   28.500   0.6107   27.880   0.7065 0.6198000 0.9338000 
1 1 1  -56    6    7 o   18.140   0.5808   17.980   0.7440   18.290   0.8919 -0.3091000 1.162000 
1 1 1  -56    6    8 o   4.9760   1.3090   4.5960   1.7860   5.3560   1.9140 -0.7599000 2.618000 
1 1 1  -56    6    9 o   15.360   0.6000   15.000   0.8275   15.730   0.8692 -0.7344000 1.200000 
1 1 1  -56    6   10 f   7.5960   1.1460   5.9460   1.8020   9.2460   1.4160 -3.300000 2.292000 
1 1 1  -56    6   11 o   27.510   0.4235   27.080   0.5945   27.940   0.6033 -0.8600000 0.8470000 
1 1 1  -56    6   12 o   9.7480   0.9215   10.950   1.0900   8.5420   1.4860 2.413000 1.843000 
1 1 1  -56    6   13 o   22.430   0.3055   21.590   0.3534   23.260   0.4983 -1.673000 0.6109000 
1 1 1  -56    6   14 o   3.4350   0.9496   4.1200   1.4590   2.7500   1.2150 1.369000 1.899000 
1 1 1  -56    6   15 o   2.6370   0.8490   2.7150   1.2260   2.5580   1.1750 0.1576000 1.698000 
1 1 1  -56    6   16 o   7.8800   0.6834   8.5660   0.8823   7.1940   1.0440 1.371000 1.367000 
1 1 1  -56    6   17 o   12.170   0.5115   11.880   0.6497   12.460   0.7902 -0.5803000 1.023000 
1 1 1  -56    6   18 o   10.930   0.8765   11.100   1.3420   10.770   1.1280 0.3356000 1.753000 
1 1 1  -56    6   19 o   15.000   0.4588   15.150   0.6564   14.860   0.6413 0.2907000 0.9177000 
1 1 1  -56    6   20 o   4.3060   1.0640   4.5420   1.4980   4.0700   1.5100 0.4727000 2.127000 
1 1 1  -56    6   21 o   3.3620   1.0030   2.9950   1.3320   3.7290   1.4990 -0.7345000 2.005000 
1 1 1  -56    6   22 o   4.6410   1.0700   5.6250   1.5110   3.6580   1.5160 1.967000 2.141000 
1 1 1  -56    6   23 o   16.960   0.4090   16.780   0.5791   17.130   0.5776 -0.3516000 0.8179000 
1 1 1  -56    6   24 o   13.650   0.5078   13.740   0.7041   13.570   0.7320 0.1726000 1.016000 
1 1 1  -56    6   25 o   10.550   0.8990   10.710   1.1060   10.390   1.4170 0.3170000 1.798000 
1 1 1  -56    6   26 o   11.890   0.6423   11.680   0.9331   12.090   0.8830 -0.4174000 1.285000 
1 1 1  -56    6   27 o   10.680   0.6930   10.670   0.9596   10.680   1.0000 -0.9687000E-02 1.386000 
1 1 1  -56    6   28 o   10.370   0.7157   10.450   0.9874   10.290   1.0360 0.1577000 1.431000 
1 1 1  -56    6   29 o   7.8210   0.9576   7.7520   1.3390   7.8900   1.3690 -0.1382000 1.915000 
1 1 1  -56    6   30 o   6.4630   1.2980   6.1630   1.8400   6.7620   1.8310 -0.5985000 2.596000 
1 1 1  -56    6   31 o   1.8380   0.9556   1.8380   0.9556  ?   ?       ?      ? 
1 1 1  -56    8    1 o   7.1030   1.0730   6.1080   2.0120   8.0980   0.7469 -1.990000 2.147000 
1 1 1  -56    8    2 o   13.190   0.9040   12.340   1.2130   14.030   1.3400 -1.689000 1.808000 
1 1 1  -56    8    3 o   13.810   0.8818   13.810   1.0940   13.810   1.3840 -0.1822000E-03 1.764000 
1 1 1  -56    8    4 o   10.370   1.1600   11.000   1.3150   9.7450   1.9130 1.258000 2.321000 
1 1 1  -56    8    5 o   23.250   0.5452   23.280   0.6995   23.220   0.8365 0.6453000E-01 1.090000 
1 1 1  -56    8    6 o   12.750   0.8976   13.270   1.0840   12.230   1.4310 1.040000 1.795000 
1 1 1  -56    8    7 o   23.540   0.6423   23.780   0.6881   23.300   1.0850 0.4792000 1.285000 
1 1 1  -56    8    8 o   6.5260   1.1810   8.9220   1.5350   4.1310   1.7970 4.791000 2.363000 
1 1 1  -56    8    9 o   6.6890   1.3090   5.6810   1.9020   7.6980   1.8000 -2.017000 2.619000 
1 1 1  -56    8   10 o   4.0780   1.2240   3.3110   1.5410   4.8460   1.9030 -1.535000 2.449000 
1 1 1  -56    8   11 o   4.8580   1.3120   4.1440   1.7500   5.5720   1.9550 -1.428000 2.624000 
1 1 1  -56    8   12 o   22.340   0.4851   21.400   0.6891   23.280   0.6831 -1.885000 0.9703000 
1 1 1  -56    8   13 o   6.5790   1.3120   6.9370   1.7850   6.2200   1.9230 0.7164000 2.624000 
1 1 1  -56    8   14 o   13.480   0.4067   13.190   0.5658   13.770   0.5843 -0.5799000 0.8134000 
1 1 1  -56    8   15 o   9.1720   0.6048   9.4140   0.8332   8.9300   0.8768 0.4834000 1.210000 
1 1 1  -56    8   16 o   19.170   0.3592   19.060   0.5162   19.280   0.4996 -0.2189000 0.7184000 
1 1 1  -56    8   17 o   7.4960   0.7871   7.7990   1.0190   7.1920   1.2000 0.6068000 1.574000 
1 1 1  -56    8   18 o   14.020   0.5602   13.060   0.8489   14.980   0.7311 -1.915000 1.120000 
1 1 1  -56    8   19 o   13.330   0.4588   14.180   0.6108   12.470   0.6847 1.713000 0.9175000 
1 1 1  -56    8   20 o   5.8040   1.0140   5.4030   1.4600   6.2050   1.4070 -0.8025000 2.028000 
1 1 1  -56    8   21 o   6.6940   0.9567   7.0340   1.2640   6.3540   1.4370 0.6800000 1.913000 
1 1 1  -56    8   22 o   9.7060   0.6900   10.440   0.8640   8.9740   1.0760 1.464000 1.380000 
1 1 1  -56    8   23 f   6.1310   1.1430   5.9860   1.5580   6.2760   1.6720 -0.2896000 2.286000 
1 1 1  -56    8   24 o   9.6000   0.7122   9.1220   1.0290   10.080   0.9852 -0.9579000 1.424000 
1 1 1  -56    8   25 f   11.800   0.6581   11.760   0.8488   11.850   1.0060 -0.8842000E-01 1.316000 
1 1 1  -56    8   26 o   9.7480   0.9006   11.260   1.0000   8.2370   1.4980 3.022000 1.801000 
1 1 1  -56    8   27 o   3.6540   1.1040   3.7050   1.5550   3.6030   1.5680 0.1018000 2.208000 
1 1 1  -56    8   28 o   6.1810   1.0770   7.9230   1.3280   4.4390   1.6970 3.484000 2.154000 
1 1 1  -56    8   29 o   4.4940   1.1840   3.9910   1.6060   4.9960   1.7390 -1.005000 2.368000 
1 1 1  -56    8   30 o   2.6670   0.9261   3.2180   1.5080   2.1160   1.0750 1.102000 1.852000 
1 1 1  -56   10    1 o   15.490   0.7278   16.630   1.3630   14.340   0.5109 2.288000 1.456000 
1 1 1  -56   10    2 o   4.8900   1.5900   4.1610   1.9660   5.6190   2.4980 -1.459000 3.179000 
1 1 1  -56   10    3 o   6.3280   1.7920   5.4410   2.2930   7.2150   2.7530 -1.774000 3.583000 
1 1 1  -56   10    4 o   16.800   1.1070   17.250   1.3020   16.340   1.7900 0.9048000 2.214000 
1 1 1  -56   10    5 o   28.960   0.7597   28.890   0.9902   29.040   1.1520 -0.1449000 1.519000 
1 1 1  -56   10    6 o   7.4210   1.8070   8.2560   2.4640   6.5860   2.6430 1.670000 3.614000 
1 1 1  -56   10    7 o   11.710   1.3620   11.690   2.0230   11.730   1.8230 -0.3975000E-01 2.723000 
1 1 1  -56   10    8 o   5.4050   1.5840   6.3080   2.4440   4.5030   2.0160 1.805000 3.168000 
1 1 1  -56   10    9 o   6.3250   1.6780   7.3530   2.5260   5.2980   2.2090 2.055000 3.356000 
1 1 1  -56   10   10 o   13.850   1.1490   15.100   1.5920   12.610   1.6570 2.488000 2.298000 
1 1 1  -56   10   11 o   8.6990   1.6860   8.1390   2.5410   9.2590   2.2160 -1.120000 3.372000 
1 1 1  -56   10   12 o   27.240   0.7250   25.880   1.0930   28.600   0.9524 -2.721000 1.450000 
1 1 1  -56   10   13 o   22.120   0.5083   22.230   0.7216   22.020   0.7160 0.2008000 1.017000 
1 1 1  -56   10   14 o   15.940   0.3525   15.860   0.4888   16.020   0.5080 -0.1618000 0.7050000 
1 1 1  -56   10   15 o   3.5120   0.9557   3.0250   1.2850   3.9990   1.4150 -0.9740000 1.911000 
1 1 1  -56   10   16 o   10.600   0.5102   10.080   0.7415   11.130   0.7010 -1.050000 1.020000 
1 1 1  -56   10   17 o   10.730   0.5275   10.780   0.7268   10.690   0.7646 0.8209000E-01 1.055000 
1 1 1  -56   10   18 o   10.620   0.7481   10.520   1.0780   10.720   1.0380 -0.2017000 1.496000 
1 1 1  -56   10   19 o   3.9220   1.0500   3.2990   1.4060   4.5440   1.5610 -1.245000 2.101000 
1 1 1  -56   10   20 o   9.4640   0.7239   9.4870   0.9673   9.4410   1.0770 0.4682000E-01 1.448000 
1 1 1  -56   10   21 o   7.2670   1.0220   8.6440   1.1520   5.8890   1.6890 2.754000 2.045000 
1 1 1  -56   10   22 o   9.6690   0.7044   9.4560   0.9945   9.8820   0.9979 -0.4263000 1.409000 
1 1 1  -56   10   23 o   6.7450   1.0130   8.2960   1.1540   5.1940   1.6650 3.101000 2.026000 
1 1 1  -56   10   24 o   5.7360   1.1580   5.9690   1.5980   5.5030   1.6770 0.4661000 2.316000 
1 1 1  -56   10   25 o   4.8450   1.2200   4.2140   1.6300   5.4770   1.8150 -1.263000 2.440000 
1 1 1  -56   10   26 o   6.6950   1.1740   7.9520   1.4230   5.4370   1.8680 2.516000 2.348000 
1 1 1  -56   10   27 o   2.6350   0.9018   2.5850   1.2510   2.6850   1.3000 -0.1000000 1.804000 
1 1 1  -56   10   28 o   4.5360   1.1760   5.0680   1.6780   4.0030   1.6490 1.065000 2.352000 
1 1 1  -56   10   29 o   3.7110   1.0940   4.3230   1.6550   3.0980   1.4310 1.225000 2.188000 
1 1 1  -56   12    1 o   13.150   0.5699   13.950   0.7947   12.360   0.8172 1.584000 1.140000 
1 1 1  -56   12    2 o   6.9430   1.1410   7.7620   2.0600   6.1240   0.9829 1.638000 2.282000 
1 1 1  -56   12    3 o   11.750   1.1890   13.380   1.2280   10.120   2.0370 3.262000 2.379000 
1 1 1  -56   12    4 o   8.1870   1.5080   7.3770   2.1060   8.9960   2.1590 -1.619000 3.016000 
1 1 1  -56   12    5 o   7.6220   1.5110   8.4280   1.9440   6.8150   2.3130 1.613000 3.021000 
1 1 1  -56   12    6 o   14.740   1.0160   14.150   1.1780   15.340   1.6570 -1.190000 2.033000 
1 1 1  -56   12    7 o   15.510   0.7536   15.450   1.0510   15.580   1.0800 -0.1266000 1.507000 
1 1 1  -56   12    8 o   9.9340   1.1320   10.300   1.5230   9.5720   1.6770 0.7239000 2.265000 
1 1 1  -56   12    9 o   5.4190   1.4320   4.7790   1.9460   6.0600   2.1020 -1.281000 2.864000 
1 1 1  -56   12   10 o   11.550   0.9455   10.730   1.4060   12.360   1.2650 -1.629000 1.891000 
1 1 1  -56   12   11 o   8.9250   1.2160   6.7780   1.9760   11.070   1.4190 -4.295000 2.432000 
1 1 1  -56   12   12 o   3.5450   1.1630   4.0240   1.7800   3.0660   1.4960 0.9584000 2.325000 
1 1 1  -56   12   13 o   17.680   0.3295   17.550   0.4429   17.810   0.4881 -0.2567000 0.6591000 
1 1 1  -56   12   14 o   7.7050   0.6483   7.8430   0.9037   7.5660   0.9299 0.2774000 1.297000 
1 1 1  -56   12   15 o   6.8260   0.7805   7.3670   0.9189   6.2840   1.2620 1.083000 1.561000 
1 1 1  -56   12   16 o   3.7190   1.0140   3.9460   1.4300   3.4910   1.4390 0.4550000 2.028000 
1 1 1  -56   12   17 o   13.810   0.7288   14.510   0.9640   13.110   1.0930 1.405000 1.458000 
1 1 1  -56   12   18 o   10.220   0.9945   9.7310   1.4490   10.710   1.3630 -0.9764000 1.989000 
1 1 1  -56   12   19 o   3.8030   1.0210   4.7540   1.5530   2.8520   1.3240 1.902000 2.041000 
1 1 1  -56   12   20 o   9.7230   0.6901   10.540   0.8389   8.9090   1.0960 1.629000 1.380000 
1 1 1  -56   12   21 o   7.3730   0.9314   6.6040   1.3910   8.1430   1.2390 -1.539000 1.863000 
1 1 1  -56   12   22 o   14.110   0.5089   14.440   0.6708   13.770   0.7654 0.6666000 1.018000 
1 1 1  -56   12   23 o   8.8780   0.8246   7.9000   1.2460   9.8560   1.0800 -1.956000 1.649000 
1 1 1  -56   12   24 o   4.1300   1.1530   4.1570   1.6230   4.1040   1.6390 0.5330000E-01 2.307000 
1 1 1  -56   12   25 o   12.990   0.6572   12.770   0.8922   13.200   0.9653 -0.4281000 1.314000 
1 1 1  -56   12   26 o   4.6930   1.2350   4.6590   1.7420   4.7270   1.7510 -0.6825000E-01 2.470000 
1 1 1  -56   12   27 o   11.310   0.6682   11.240   0.9278   11.380   0.9617 -0.1397000 1.336000 
1 1 1  -56   12   28 o   4.0200   1.1460   4.3890   1.6680   3.6510   1.5700 0.7375000 2.291000 
1 1 1  -56   14    1 o   9.1840   0.6390   9.5220   0.8034   8.8470   0.9940 0.6756000 1.278000 
1 1 1  -56   14    2 o   10.340   0.5017   10.550   0.6498   10.130   0.7647 0.4233000 1.003000 
1 1 1  -56   14    3 o   9.9140   0.7843   9.0540   1.0930   10.770   1.1250 -1.721000 1.569000 
1 1 1  -56   14    4 o   7.3580   0.8400   7.7860   0.6383   6.9300   1.5540 0.8564000 1.680000 
1 1 1  -56   14    5 o   14.710   0.6003   15.950   1.1110   13.470   0.4562 2.472000 1.201000 
1 1 1  -56   14    6 o   9.5170   1.3460   9.6310   1.8280   9.4030   1.9760 0.2277000 2.692000 
1 1 1  -56   14    7 o   14.220   0.8608   14.710   1.1560   13.730   1.2760 0.9863000 1.722000 
1 1 1  -56   14    8 o   11.280   1.0830   11.850   1.4250   10.700   1.6320 1.155000 2.167000 
1 1 1  -56   14    9 o   6.3610   1.4160   7.8370   1.9710   4.8850   2.0340 2.952000 2.832000 
1 1 1  -56   14   10 o   11.720   0.7526   11.330   1.4270   12.120   0.4788 -0.7907000 1.505000 
1 1 1  -56   14   11 o   15.750   0.3852   15.770   0.4802   15.720   0.6024 0.5031000E-01 0.7704000 
1 1 1  -56   14   12 o   3.9140   1.0520   3.8030   1.4150   4.0250   1.5580 -0.2222000 2.105000 
1 1 1  -56   14   13 o   11.730   0.4529   11.660   0.5911   11.800   0.6864 -0.1359000 0.9058000 
1 1 1  -56   14   14 o   9.4340   0.5951   9.0930   0.7788   9.7750   0.9001 -0.6820000 1.190000 
1 1 1  -56   14   15 o   3.8930   1.0400   3.9800   1.4270   3.8060   1.5140 0.1744000 2.080000 
1 1 1  -56   14   16 o   13.470   0.6191   14.400   0.7895   12.540   0.9540 1.863000 1.238000 
1 1 1  -56   14   17 f   3.9120   1.2160   4.0660   1.7990   3.7590   1.6380 0.3074000 2.433000 
1 1 1  -56   14   18 o   10.530   0.6535   11.430   0.7936   9.6380   1.0380 1.788000 1.307000 
1 1 1  -56   14   19 o   10.770   0.6501   11.320   0.8227   10.230   1.0070 1.090000 1.300000 
1 1 1  -56   14   20 o   6.1800   1.1140   6.1940   1.5010   6.1660   1.6470 0.2839000E-01 2.228000 
1 1 1  -56   14   21 o   4.1390   1.1480   4.6190   1.6690   3.6590   1.5760 0.9602000 2.295000 
1 1 1  -56   14   22 o   4.4390   1.1460   5.3240   1.6790   3.5550   1.5610 1.769000 2.293000 
1 1 1  -56   14   23 f   10.980   0.6936   11.350   0.9237   10.620   1.0350 0.7357000 1.387000 
1 1 1  -56   14   24 o   3.6880   1.1090   4.0970   1.6440   3.2800   1.4900 0.8171000 2.219000 
1 1 1  -56   14   25 o   3.2600   1.0600   3.4020   1.5330   3.1170   1.4650 0.2852000 2.120000 
1 1 1  -56   14   26 o   4.0440   1.1530   4.3090   1.6640   3.7800   1.5970 0.5292000 2.307000 
1 1 1  -56   14   27 o   2.6720   0.9277   2.6820   1.3160   2.6610   1.3080 0.2024000E-01 1.855000 
1 1 1  -56   16    1 o   4.8290   1.0950   4.4670   1.5210   5.1920   1.5740 -0.7252000 2.189000 
1 1 1  -56   16    2 o   8.6990   0.6664   8.1980   0.9521   9.2000   0.9326 -1.002000 1.333000 
1 1 1  -56   16    3 o   8.5620   0.7298   8.3080   0.9006   8.8160   1.1490 -0.5080000 1.460000 
1 1 1  -56   16    4 o   6.4540   0.8706   5.3200   1.3490   7.5890   1.1010 -2.270000 1.741000 
1 1 1  -56   16    5 o   4.8010   0.9256   6.1950   1.2040   3.4070   1.4060 2.787000 1.851000 
1 1 1  -56   16    6 o   9.4520   0.5603   10.070   0.6787   8.8330   0.8918 1.239000 1.121000 
1 1 1  -56   16    7 o   7.0870   0.8984   6.4920   1.4920   7.6830   1.0010 -1.190000 1.797000 
1 1 1  -56   16    8 o   5.8870   0.8704   6.0760   1.1130   5.6970   1.3380 0.3794000 1.741000 
1 1 1  -56   16    9 o   13.030   0.4132   12.580   0.5655   13.480   0.6026 -0.9026000 0.8264000 
1 1 1  -56   16   10 o   9.9060   0.5700   10.900   0.6556   8.9160   0.9326 1.980000 1.140000 
1 1 1  -56   16   11 o   6.1890   0.9005   5.9210   1.2290   6.4570   1.3160 -0.5368000 1.801000 
1 1 1  -56   16   12 o   5.1200   1.0010   5.2900   1.2950   4.9500   1.5260 0.3396000 2.002000 
1 1 1  -56   16   13 o   8.3380   0.7307   9.3920   0.7827   7.2840   1.2340 2.109000 1.461000 
1 1 1  -56   16   14 o   3.1360   0.9983   3.0300   1.3280   3.2420   1.4910 -0.2124000 1.997000 
1 1 1  -56   16   15 o   6.5360   1.1760   5.5240   1.7710   7.5480   1.5460 -2.024000 2.351000 
1 1 1  -56   16   16 o   7.3460   1.0290   7.8970   1.4460   6.7950   1.4650 1.103000 2.058000 
1 1 1  -56   16   17 o   6.9960   0.9922   7.5430   1.2080   6.4490   1.5740 1.094000 1.984000 
1 1 1  -56   16   18 o   6.7130   1.0630   5.3650   1.6290   8.0600   1.3660 -2.694000 2.126000 
1 1 1  -56   16   19 o   11.600   0.6550   12.500   0.8123   10.700   1.0280 1.800000 1.310000 
1 1 1  -56   16   20 o   4.8450   1.1840   3.9680   1.5940   5.7230   1.7500 -1.755000 2.368000 
1 1 1  -56   16   21 o   5.9960   1.1620   6.6960   1.5330   5.2950   1.7470 1.401000 2.324000 
1 1 1  -56   16   22 o   4.3910   1.1880   4.4110   1.6560   4.3720   1.7030 0.3875000E-01 2.376000 
1 1 1  -56   16   23 f   3.1330   1.0060   2.5470   1.2380   3.7180   1.5860 -1.170000 2.012000 
1 1 1  -56   16   24 o   5.3010   1.2560   4.5410   1.7520   6.0610   1.8000 -1.520000 2.512000 
1 1 1  -56   16   25 o   3.2020   1.0700   3.0270   1.4720   3.3780   1.5530 -0.3515000 2.140000 
1 1 1  -56   18    1 o   5.4230   1.1770   5.6500   1.6900   5.1960   1.6380 0.4543000 2.354000 
1 1 1  -56   18    2 o   3.2200   1.0370   3.4510   1.5140   2.9900   1.4170 0.4605000 2.074000 
1 1 1  -56   18    3 o   5.1780   1.2230   4.9770   1.6850   5.3790   1.7740 -0.4023000 2.447000 
1 1 1  -56   18    4 o   11.170   0.6570   11.730   0.7457   10.600   1.0820 1.131000 1.314000 
1 1 1  -56   18    5 o   9.1590   0.6775   9.4900   0.8781   8.8280   1.0320 0.6623000 1.355000 
1 1 1  -56   18    6 o   2.5490   0.8553   2.4100   1.1590   2.6890   1.2580 -0.2789000 1.711000 
1 1 1  -56   18    7 o   5.8900   1.0230   6.1080   1.3800   5.6720   1.5100 0.4356000 2.046000 
1 1 1  -56   18    8 o   2.9080   0.9302   3.3350   1.4240   2.4810   1.1970 0.8534000 1.860000 
1 1 1  -56   18    9 o   3.7490   0.9855   2.3830   1.1530   5.1140   1.5990 -2.731000 1.971000 
1 1 1  -56   18   10 o   4.9250   1.0890   4.1100   1.5270   5.7400   1.5530 -1.630000 2.178000 
1 1 1  -56   18   11 o   12.260   0.5749   11.740   0.7305   12.770   0.8878 -1.038000 1.150000 
1 1 1  -56   18   12 o   4.2860   1.1770   3.5920   1.5500   4.9810   1.7700 -1.390000 2.353000 
1 1 1  -56   18   13 f   16.970   0.5102   17.830   0.6694   16.110   0.7702 1.728000 1.020000 
1 1 1  -56   18   14 o   11.840   0.5788   13.070   0.6901   10.610   0.9294 2.465000 1.158000 
1 1 1  -56   18   15 o   4.4990   1.1440   4.8250   1.5990   4.1730   1.6360 0.6523000 2.287000 
1 1 1  -56   18   16 o   4.3540   1.1590   4.1070   1.5930   4.6010   1.6840 -0.4941000 2.318000 
1 1 1  -56   18   17 o   9.7550   0.7585   9.0070   1.1120   10.500   1.0310 -1.495000 1.517000 
1 1 1  -56   18   18 o   15.260   0.5049   16.010   0.6531   14.520   0.7703 1.492000 1.010000 
1 1 1  -56   18   19 o   6.8990   1.0830   7.9520   1.3080   5.8460   1.7270 2.106000 2.166000 
1 1 1  -56   18   20 o   2.6290   0.9002   2.5920   1.2560   2.6660   1.2900 -0.7355000E-01 1.800000 
1 1 1  -56   18   21 o   4.4530   1.1740   3.5430   1.6060   5.3630   1.7130 -1.820000 2.348000 
1 1 1  -56   18   22 o   3.0000   1.0140   3.1110   1.4770   2.8890   1.3900 0.2227000 2.028000 
1 1 1  -56   18   23 o   2.6720   0.9412   2.6830   1.3380   2.6610   1.3240 0.2163000E-01 1.882000 
1 1 1  -56   20    1 o   5.0870   1.2590   4.8880   1.8500   5.2870   1.7090 -0.3998000 2.518000 
1 1 1  -56   20    2 o   6.6960   1.1730   6.4050   1.8020   6.9870   1.5030 -0.5825000 2.346000 
1 1 1  -56   20    3 o   10.850   0.7965   10.730   1.1030   10.970   1.1490 -0.2358000 1.593000 
1 1 1  -56   20    4 o   3.2770   1.0280   2.6510   1.2860   3.9040   1.6030 -1.254000 2.056000 
1 1 1  -56   20    5 o   5.1230   1.2180   4.5690   1.7110   5.6780   1.7350 -1.109000 2.437000 
1 1 1  -56   20    6 o   10.190   0.7129   11.120   0.8762   9.2540   1.1250 1.869000 1.426000 
1 1 1  -56   20    7 o   11.460   0.6092   11.840   0.8090   11.090   0.9109 0.7524000 1.218000 
1 1 1  -56   20    8 o   5.4650   1.0690   6.9100   1.4040   4.0200   1.6120 2.890000 2.138000 
1 1 1  -56   20    9 o   3.7360   1.1000   3.7840   1.5510   3.6880   1.5610 0.9676000E-01 2.200000 
1 1 1  -56   20   10 o   3.6120   1.0650   4.1980   1.6060   3.0250   1.3990 1.174000 2.130000 
1 1 1  -56   20   11 o   4.9850   1.1720   4.5150   1.6240   5.4560   1.6900 -0.9407000 2.344000 
1 1 1  -56   20   12 o   2.8740   0.9504   2.7490   1.2970   2.9990   1.3890 -0.2500000 1.901000 
1 1 1  -56   20   13 o   6.0570   1.1210   5.5620   1.5990   6.5510   1.5720 -0.9890000 2.242000 
1 1 1  -56   20   14 o   5.6200   1.0800   7.0950   1.4030   4.1450   1.6410 2.950000 2.159000 
1 1 1  -56   20   15 o   6.5890   1.0790   7.6850   1.3760   5.4920   1.6620 2.192000 2.158000 
1 1 1  -56   20   16 o   4.5510   1.1450   5.4530   1.6750   3.6500   1.5610 1.803000 2.289000 
1 1 1  -56   20   17 o   9.1330   0.9520   8.1360   1.5080   10.130   1.1630 -1.995000 1.904000 
1 1 1  -56   20   18 o   8.3410   1.0740   10.630   1.1440   6.0480   1.8190 4.586000 2.148000 
1 1 1  -56   20   19 o   9.7490   0.8734   9.6750   1.2580   9.8230   1.2120 -0.1483000 1.747000 
1 1 1  -56   20   20 o   5.8240   1.1610   5.1090   1.7170   6.5400   1.5640 -1.431000 2.322000 
1 1 1  -56   20   21 o   2.7430   0.9249   3.2460   1.4660   2.2400   1.1290 1.006000 1.850000 
1 1 1  -56   22    1 o   12.810   0.7827   15.090   1.0420   10.540   1.1680 4.557000 1.565000 
1 1 1  -56   22    2 o   11.000   0.9715   9.3450   1.6970   12.660   0.9470 -3.315000 1.943000 
1 1 1  -56   22    3 o   4.3980   1.2820   4.1690   1.7510   4.6280   1.8720 -0.4593000 2.563000 
1 1 1  -56   22    4 f   4.9060   1.2760   5.5120   1.8770   4.3010   1.7290 1.211000 2.552000 
1 1 1  -56   22    5 o   8.2400   1.1550   9.2590   1.4790   7.2210   1.7760 2.038000 2.311000 
1 1 1  -56   22    6 o   6.8170   1.2450   7.5190   1.7300   6.1160   1.7900 1.403000 2.490000 
1 1 1  -56   22    7 o   6.9450   1.2460   6.9600   1.8090   6.9290   1.7130 0.3090000E-01 2.491000 
1 1 1  -56   22    8 o   4.4180   1.2560   4.2000   1.7700   4.6370   1.7820 -0.4362000 2.512000 
1 1 1  -56   22    9 o   6.1270   1.3020   6.6650   1.8400   5.5900   1.8420 1.075000 2.603000 
1 1 1  -56   22   10 o   4.6320   1.2350   5.4920   1.8360   3.7710   1.6540 1.721000 2.471000 
1 1 1  -56   22   11 o   4.8680   1.2350   5.7750   1.8010   3.9610   1.6900 1.814000 2.470000 
1 1 1  -56   22   12 o   3.8740   1.1510   4.6190   1.7730   3.1290   1.4660 1.490000 2.301000 
1 1 1  -56   22   13 f   5.5290   1.2450   4.7490   1.7850   6.3080   1.7370 -1.560000 2.490000 
1 1 1  -56   22   14 o   3.2110   1.0360   2.7040   1.2960   3.7170   1.6160 -1.013000 2.072000 
1 1 1  -56   22   15 o   3.1450   1.0040   2.7010   1.2930   3.5900   1.5370 -0.8889000 2.008000 
1 1 1  -56   22   16 o   3.2350   1.0110   2.3040   1.1400   4.1660   1.6690 -1.862000 2.021000 
1 1 1  -56   22   17 o   2.4630   0.8502   2.5440   1.2330   2.3830   1.1700 0.1611000 1.700000 
1 1 1  -56   22   18 o   2.3650   0.8321   2.1710   1.0830   2.5590   1.2640 -0.3884000 1.664000 
1 1 1  -56   24    1 o   7.6890   1.0090   7.6560   1.4050   7.7230   1.4500 -0.6614000E-01 2.018000 
1 1 1  -56   24    2 o   4.0000   1.1110   4.9120   1.7050   3.0870   1.4250 1.824000 2.222000 
1 1 1  -56   24    3 o   3.7450   1.1650   3.0530   1.4160   4.4380   1.8500 -1.384000 2.330000 
1 1 1  -56   24    4 o   2.7100   0.9141   3.2390   1.4660   2.1800   1.0920 1.059000 1.828000 
1 1 1  -56   24    5 o   3.0320   1.0160   3.6970   1.6560   2.3670   1.1780 1.331000 2.033000 
1 1 1  -56   24    6 o   4.4030   1.1920   4.2920   1.6850   4.5140   1.6880 -0.2218000 2.385000 
1 1 1  -56   24    7 o   4.0990   1.1470   5.0250   1.7830   3.1740   1.4440 1.851000 2.295000 
1 1 1  -56   24    8 o   2.4980   0.8678   2.5550   1.2560   2.4400   1.1970 0.1152000 1.736000 
1 1 1  -56   24    9 o   3.1090   1.0290   3.2280   1.5160   2.9910   1.3930 0.2373000 2.059000 
1 1 1  -56   24   10 f   3.1740   1.0410   3.9230   1.7060   2.4260   1.1920 1.497000 2.081000 
1 1 1  -56   24   11 f   2.4460   0.8549   2.3530   1.1810   2.5400   1.2360 -0.1866000 1.710000 
1 1 1  -56   24   12 o   2.3980   0.8413   2.4040   1.2040   2.3920   1.1760 0.1131000E-01 1.683000 
1 1 1  -56   24   13 o   3.8020   1.1540   4.3370   1.7880   3.2660   1.4590 1.071000 2.307000 
1 1 1  -55    1    1 o   26.360   0.3209   26.460   0.4750   26.260   0.4315 0.1967000 0.6417000 
1 1 1  -55    1    2 o   28.380   0.3024   28.560   0.4612   28.190   0.3912 0.3714000 0.6047000 
1 1 1  -55    1    3 o   10.930   0.4983   11.320   0.6963   10.550   0.7131 0.7727000 0.9967000 
1 1 1  -55    1    4 o   20.990   0.2899   20.640   0.4190   21.330   0.4008 -0.6866000 0.5799000 
1 1 1  -55    1    5 o   8.4470   0.5884   8.1740   0.8860   8.7200   0.7745 -0.5455000 1.177000 
1 1 1  -55    1    6 o   4.3580   1.0140   4.7390   1.5220   3.9780   1.3390 0.7610000 2.027000 
1 1 1  -55    1    7 o   24.870   0.3484   24.040   0.5763   25.700   0.3917 -1.660000 0.6968000 
1 1 1  -55    1    8 o   18.910   0.3171   19.120   0.4991   18.710   0.3913 0.4057000 0.6342000 
1 1 1  -55    1    9 o   34.430   0.2637   34.420   0.3769   34.430   0.3689 -0.1467000E-01 0.5274000 
1 1 1  -55    1   10 o   16.160   0.2861   15.850   0.4154   16.480   0.3936 -0.6260000 0.5722000 
1 1 1  -55    1   11 o   16.890   0.2946   17.060   0.4365   16.710   0.3957 0.3590000 0.5892000 
1 1 1  -55    1   12 o   15.000   0.3395   14.890   0.4909   15.110   0.4691 -0.2219000 0.6790000 
1 1 1  -55    1   13 o   2.9760   0.8985   3.3050   1.3470   2.6480   1.1900 0.6568000 1.797000 
1 1 1  -55    1   14 f   10.250   0.4869   10.060   0.6815   10.430   0.6957 -0.3615000 0.9739000 
1 1 1  -55    1   15 o   10.840   0.5060   11.470   0.6916   10.210   0.7387 1.266000 1.012000 
1 1 1  -55    1   16 o   23.140   0.2703   23.160   0.3844   23.120   0.3800 0.4588000E-01 0.5406000 
1 1 1  -55    1   17 o   15.140   0.3503   14.970   0.4990   15.300   0.4917 -0.3328000 0.7006000 
1 1 1  -55    1   18 o   26.600   0.2711   26.580   0.3852   26.620   0.3817 -0.3668000E-01 0.5423000 
1 1 1  -55    1   19 o   12.840   0.4261   12.900   0.6025   12.770   0.6027 0.1334000 0.8522000 
1 1 1  -55    1   20 o   10.930   0.5063   10.400   0.7569   11.460   0.6727 -1.060000 1.013000 
1 1 1  -55    1   21 o   11.330   0.4981   11.040   0.7067   11.610   0.7020 -0.5700000 0.9961000 
1 1 1  -55    1   22 o   3.8020   1.0400   3.4300   1.4320   4.1750   1.5070 -0.7450000 2.079000 
1 1 1  -55    1   23 o   3.9920   1.1310   3.8260   1.5990   4.1580   1.6010 -0.3322000 2.262000 
1 1 1  -55    1   24 o   13.600   0.5760   14.520   0.7227   12.680   0.8972 1.841000 1.152000 
1 1 1  -55    1   25 o   15.760   0.4488   15.300   0.6430   16.230   0.6262 -0.9332000 0.8975000 
1 1 1  -55    1   26 o   9.0400   0.7885   8.9090   1.1450   9.1710   1.0840 -0.2629000 1.577000 
1 1 1  -55    1   27 o   4.6990   1.0900   6.1870   1.6220   3.2100   1.4570 2.976000 2.180000 
1 1 1  -55    1   28 o   12.270   0.7256   11.970   1.0270   12.580   1.0260 -0.6110000 1.451000 
1 1 1  -55    1   29 o   5.5370   1.3160   5.0180   1.8560   6.0560   1.8660 -1.038000 2.632000 
1 1 1  -55    1   30 o   8.3960   0.9568   9.7810   1.0960   7.0110   1.5690 2.770000 1.914000 
1 1 1  -55    1   31 o   3.7420   1.1220   3.9840   1.6310   3.5010   1.5430 0.4835000 2.245000 
1 1 1  -55    1   32 o   2.7280   0.9524   2.7420   1.3400   2.7130   1.3540 0.2894000E-01 1.905000 
1 1 1  -55    3    1 o   11.390   0.4460   11.470   0.6716   11.310   0.5870 0.1629000 0.8920000 
1 1 1  -55    3    2 o   8.7690   0.6668   7.7720   1.0980   9.7660   0.7564 -1.994000 1.334000 
1 1 1  -55    3    3 o   16.090   0.3500   15.840   0.5167   16.330   0.4722 -0.4917000 0.7000000 
1 1 1  -55    3    4 o   25.410   0.3450   24.950   0.5997   25.870   0.3415 -0.9175000 0.6901000 
1 1 1  -55    3    5 o   10.850   1.2230   12.850   1.2720   8.8600   2.0900 3.990000 2.447000 
1 1 1  -55    3    6 o   8.7260   1.3370   8.1120   1.8590   9.3390   1.9230 -1.227000 2.674000 
1 1 1  -55    3    7 o   10.860   1.0310   11.670   1.2480   10.040   1.6410 1.624000 2.062000 
1 1 1  -55    3    8 o   6.9080   1.4090   6.8880   1.9070   6.9270   2.0750 -0.3829000E-01 2.818000 
1 1 1  -55    3    9 f   24.370   0.4925   24.810   0.5713   23.930   0.8024 0.8866000 0.9850000 
1 1 1  -55    3   10 o   15.930   0.2725   16.260   0.4072   15.600   0.3621 0.6582000 0.5449000 
1 1 1  -55    3   11 o   17.610   0.3330   17.720   0.4554   17.500   0.4860 0.2207000 0.6660000 
1 1 1  -55    3   12 o   6.7550   0.7258   6.6410   1.1590   6.8700   0.8746 -0.2287000 1.452000 
1 1 1  -55    3   13 o   2.8190   0.8588   2.6050   1.1730   3.0330   1.2550 -0.4276000 1.718000 
1 1 1  -55    3   14 o   21.300   0.2728   21.000   0.4001   21.600   0.3709 -0.5974000 0.5456000 
1 1 1  -55    3   15 o   2.8460   0.8806   3.0290   1.2980   2.6630   1.1900 0.3657000 1.761000 
1 1 1  -55    3   16 o   3.1250   0.9655   3.4860   1.4620   2.7640   1.2610 0.7226000 1.931000 
1 1 1  -55    3   17 o   21.300   0.3201   21.100   0.5037   21.500   0.3950 -0.3949000 0.6401000 
1 1 1  -55    3   18 o   14.180   0.3909   13.630   0.5820   14.720   0.5219 -1.097000 0.7818000 
1 1 1  -55    3   19 o   19.090   0.3239   18.960   0.4673   19.210   0.4485 -0.2463000 0.6477000 
1 1 1  -55    3   20 o   25.290   0.2906   25.770   0.4086   24.810   0.4133 0.9607000 0.5812000 
1 1 1  -55    3   21 o   8.3730   0.8339   9.0860   1.1200   7.6600   1.2360 1.426000 1.668000 
1 1 1  -55    3   22 o   5.4990   1.1230   6.6370   1.5530   4.3600   1.6230 2.277000 2.246000 
1 1 1  -55    3   23 o   17.750   0.3760   18.410   0.5181   17.080   0.5452 1.334000 0.7521000 
1 1 1  -55    3   24 o   3.5340   1.0570   3.8710   1.5300   3.1980   1.4600 0.6735000 2.114000 
1 1 1  -55    3   25 o   6.3580   1.1660   6.1450   1.6210   6.5710   1.6770 -0.4252000 2.332000 
1 1 1  -55    3   26 o   4.9610   1.1840   4.6930   1.6650   5.2290   1.6840 -0.5352000 2.368000 
1 1 1  -55    3   27 o   14.370   0.6122   14.710   0.8101   14.040   0.9181 0.6676000 1.224000 
1 1 1  -55    3   28 o   3.8060   1.1320   3.9990   1.6310   3.6120   1.5710 0.3871000 2.265000 
1 1 1  -55    3   29 o   5.5270   1.3430   5.4570   1.8920   5.5970   1.9060 -0.1401000 2.685000 
1 1 1  -55    3   30 o   8.0260   0.9527   8.1920   1.2960   7.8600   1.3970 0.3314000 1.905000 
1 1 1  -55    3   31 o   3.6230   1.0990   3.3010   1.4780   3.9440   1.6290 -0.6432000 2.199000 
1 1 1  -55    5    1 o   9.4610   0.5582   8.2790   0.9111   10.640   0.6453 -2.365000 1.116000 
1 1 1  -55    5    2 o   20.950   0.4040   21.980   0.6938   19.930   0.4142 2.053000 0.8080000 
1 1 1  -55    5    3 o   25.310   0.4872   25.400   0.6224   25.220   0.7496 0.1766000 0.9744000 
1 1 1  -55    5    4 o   17.250   0.6422   17.500   0.7960   17.000   1.0080 0.4944000 1.284000 
1 1 1  -55    5    5 f   17.490   0.6259   18.460   0.7482   16.510   1.0040 1.949000 1.252000 
1 1 1  -55    5    6 o   20.210   0.5368   20.170   0.6915   20.250   0.8213 -0.7809000E-01 1.074000 
1 1 1  -55    5    7 o   13.180   0.7397   12.890   0.9570   13.480   1.1280 -0.5945000 1.479000 
1 1 1  -55    5    8 o   4.2080   1.1610   5.3410   1.8030   3.0760   1.4630 2.265000 2.322000 
1 1 1  -55    5    9 o   14.830   0.5955   15.030   0.8011   14.640   0.8813 0.3879000 1.191000 
1 1 1  -55    5   10 o   21.330   0.4565   21.510   0.6217   21.140   0.6687 0.3708000 0.9131000 
1 1 1  -55    5   11 o   3.8430   1.1560   4.2220   1.7010   3.4630   1.5650 0.7598000 2.311000 
1 1 1  -55    5   12 o   23.660   0.2443   23.470   0.3506   23.860   0.3404 -0.3875000 0.4886000 
1 1 1  -55    5   13 o   18.410   0.3431   18.420   0.4653   18.390   0.5044 0.2956000E-01 0.6863000 
1 1 1  -55    5   14 o   33.030   0.2729   32.860   0.3900   33.200   0.3819 -0.3416000 0.5458000 
1 1 1  -55    5   15 o   12.310   0.4187   12.850   0.5809   11.760   0.6032 1.090000 0.8374000 
1 1 1  -55    5   16 o   3.2870   0.9474   3.0190   1.3060   3.5550   1.3720 -0.5366000 1.895000 
1 1 1  -55    5   17 o   4.0920   1.1130   4.2650   1.6040   3.9190   1.5440 0.3455000 2.226000 
1 1 1  -55    5   18 o   10.070   0.5337   10.530   0.7197   9.6090   0.7881 0.9189000 1.067000 
1 1 1  -55    5   19 o   17.290   0.3880   17.040   0.5994   17.530   0.4928 -0.4918000 0.7760000 
1 1 1  -55    5   20 o   5.9860   1.0710   5.3630   1.6210   6.6080   1.4010 -1.245000 2.142000 
1 1 1  -55    5   21 o   9.0630   0.6684   10.030   0.8140   8.0970   1.0600 1.932000 1.337000 
1 1 1  -55    5   22 o   11.030   0.5568   11.780   0.7151   10.280   0.8537 1.504000 1.114000 
1 1 1  -55    5   23 o   13.800   0.4758   14.020   0.6619   13.580   0.6837 0.4362000 0.9516000 
1 1 1  -55    5   24 o   23.810   0.3347   23.620   0.4744   23.990   0.4723 -0.3735000 0.6695000 
1 1 1  -55    5   25 o   11.560   0.8240   11.180   1.0490   11.930   1.2710 -0.7554000 1.648000 
1 1 1  -55    5   26 o   6.9180   1.1850   7.2000   1.5520   6.6360   1.7910 0.5638000 2.370000 
1 1 1  -55    5   27 o   6.2270   1.1410   6.0520   1.6330   6.4020   1.5950 -0.3502000 2.283000 
1 1 1  -55    5   28 o   3.9540   1.1270   4.6190   1.7010   3.2880   1.4780 1.332000 2.253000 
1 1 1  -55    5   29 o   2.8140   0.9433   2.4270   1.1950   3.2010   1.4600 -0.7737000 1.887000 
1 1 1  -55    5   30 o   18.540   0.5405   18.290   0.7524   18.790   0.7761 -0.5030000 1.081000 
1 1 1  -55    5   31 o   2.2110   0.7816   2.1060   1.0590   2.3160   1.1500 -0.2099000 1.563000 
1 1 1  -55    7    1 o   18.600   0.4411   18.880   0.7930   18.320   0.3866 0.5591000 0.8823000 
1 1 1  -55    7    2 o   11.090   1.0350   10.780   1.3450   11.410   1.5720 -0.6346000 2.069000 
1 1 1  -55    7    3 o   13.930   0.8264   13.470   1.0670   14.390   1.2630 -0.9252000 1.653000 
1 1 1  -55    7    4 f   9.3110   1.2330   9.8960   1.4520   8.7260   1.9930 1.170000 2.466000 
1 1 1  -55    7    5 o   3.4590   1.1600   2.9540   1.4340   3.9630   1.8230 -1.009000 2.320000 
1 1 1  -55    7    6 o   7.9400   1.2270   10.580   1.2780   5.2990   2.0950 5.282000 2.454000 
1 1 1  -55    7    7 o   19.680   0.5396   19.400   0.7364   19.970   0.7889 -0.5653000 1.079000 
1 1 1  -55    7    8 o   5.0690   1.3380   5.3240   1.8900   4.8130   1.8950 0.5106000 2.676000 
1 1 1  -55    7    9 o   6.2420   1.3300   6.2440   1.8220   6.2410   1.9380 0.3465000E-02 2.660000 
1 1 1  -55    7   10 o   22.810   0.4702   21.410   0.6678   24.220   0.6620 -2.805000 0.9403000 
1 1 1  -55    7   11 o   12.320   0.7504   12.040   1.0550   12.590   1.0680 -0.5469000 1.501000 
1 1 1  -55    7   12 o   27.630   0.4309   27.190   0.5983   28.070   0.6204 -0.8792000 0.8619000 
1 1 1  -55    7   13 o   10.180   0.4691   9.8560   0.6039   10.510   0.7181 -0.6532000 0.9383000 
1 1 1  -55    7   14 o   9.7140   0.5195   10.240   0.7381   9.1830   0.7312 1.062000 1.039000 
1 1 1  -55    7   15 o   15.650   0.3474   15.760   0.4971   15.540   0.4854 0.2216000 0.6948000 
1 1 1  -55    7   16 o   15.450   0.3586   15.500   0.5114   15.390   0.5029 0.1098000 0.7173000 
1 1 1  -55    7   17 o   6.2820   0.9818   7.0980   1.2570   5.4670   1.5080 1.631000 1.964000 
1 1 1  -55    7   18 o   30.240   0.4484   30.020   0.6683   30.470   0.5980 -0.4525000 0.8968000 
1 1 1  -55    7   19 o   22.510   0.3075   22.360   0.4306   22.660   0.4390 -0.2945000 0.6149000 
1 1 1  -55    7   20 o   12.140   0.4962   12.180   0.6828   12.110   0.7202 0.7098000E-01 0.9924000 
1 1 1  -55    7   21 o   10.740   0.5842   10.040   0.8506   11.440   0.8011 -1.400000 1.168000 
1 1 1  -55    7   22 o   4.1120   1.0820   3.4490   1.4540   4.7760   1.6030 -1.327000 2.164000 
1 1 1  -55    7   23 o   18.460   0.3893   18.400   0.5430   18.510   0.5581 -0.1126000 0.7787000 
1 1 1  -55    7   24 f   3.6410   1.1130   3.6580   1.5620   3.6240   1.5850 0.3458000E-01 2.226000 
1 1 1  -55    7   25 o   6.9050   1.1230   7.2530   1.4520   6.5570   1.7140 0.6960000 2.247000 
1 1 1  -55    7   26 o   9.4860   0.8224   9.0410   1.2310   9.9320   1.0910 -0.8914000 1.645000 
1 1 1  -55    7   27 f   9.7940   0.7580   9.3750   1.0840   10.210   1.0600 -0.8383000 1.516000 
1 1 1  -55    7   28 o   10.250   0.8100   10.170   1.0190   10.320   1.2600 -0.1498000 1.620000 
1 1 1  -55    7   29 o   3.8160   1.1250   4.0590   1.6230   3.5720   1.5590 0.4874000 2.250000 
1 1 1  -55    7   30 o   2.9750   1.0090   3.0620   1.4550   2.8880   1.3980 0.1734000 2.018000 
1 1 1  -55    7   31 o   2.1150   0.7613   2.0340   1.0320   2.1960   1.1190 -0.1620000 1.523000 
1 1 1  -55    9    1 o   20.060   0.4545   19.790   0.8178   20.330   0.3967 -0.5389000 0.9089000 
1 1 1  -55    9    2 o   8.8810   1.3680   10.330   1.4670   7.4310   2.3100 2.898000 2.736000 
1 1 1  -55    9    3 o   21.040   0.6169   21.460   0.7656   20.620   0.9675 0.8356000 1.234000 
1 1 1  -55    9    4 o   16.570   0.7196   16.220   0.9067   16.930   1.1180 -0.7050000 1.439000 
1 1 1  -55    9    5 o   15.190   0.7878   15.950   0.9258   14.430   1.2750 1.517000 1.576000 
1 1 1  -55    9    6 o   19.790   0.6015   18.740   0.8038   20.850   0.8949 -2.108000 1.203000 
1 1 1  -55    9    7 o   13.580   0.7736   13.480   1.0490   13.680   1.1370 -0.1987000 1.547000 
1 1 1  -55    9    8 o   7.8100   1.2620   7.8390   1.7080   7.7810   1.8580 0.5772000E-01 2.524000 
1 1 1  -55    9    9 o   13.890   0.7112   13.770   0.9741   14.010   1.0370 -0.2383000 1.422000 
1 1 1  -55    9   10 o   7.0320   1.3050   7.6170   1.7170   6.4470   1.9650 1.169000 2.609000 
1 1 1  -55    9   11 o   20.810   0.5089   21.390   0.6944   20.240   0.7441 1.145000 1.018000 
1 1 1  -55    9   12 o   12.820   1.0520   12.910   1.8010   12.730   1.0890 0.1765000 2.104000 
1 1 1  -55    9   13 o   7.9100   1.2840   7.5970   2.4720   8.2230   0.6968 -0.6260000 2.568000 
1 1 1  -55    9   14 o   14.550   0.4291   14.170   0.5986   14.920   0.6151 -0.7481000 0.8583000 
1 1 1  -55    9   15 o   45.870   0.3807   46.010   0.5459   45.720   0.5307 0.2927000 0.7614000 
1 1 1  -55    9   16 o   4.7160   1.0220   4.6570   1.4380   4.7750   1.4510 -0.1183000 2.043000 
1 1 1  -55    9   17 o   10.490   0.5345   10.950   0.7295   10.030   0.7814 0.9217000 1.069000 
1 1 1  -55    9   18 o   7.9470   1.0290   6.6940   1.6750   9.2000   1.1970 -2.506000 2.059000 
1 1 1  -55    9   19 o   25.020   0.3052   24.880   0.4360   25.150   0.4273 -0.2716000 0.6105000 
1 1 1  -55    9   20 o   4.7300   1.0850   4.9220   1.5120   4.5370   1.5570 0.3853000 2.170000 
1 1 1  -55    9   21 o   4.0110   1.0710   3.3020   1.4160   4.7190   1.6070 -1.417000 2.142000 
1 1 1  -55    9   22 o   13.130   0.5647   13.340   0.7480   12.920   0.8463 0.4152000 1.129000 
1 1 1  -55    9   23 o   2.5410   0.8643   2.5360   1.2120   2.5470   1.2320 -0.1093000E-01 1.729000 
1 1 1  -55    9   24 o   15.630   0.4575   15.120   0.6404   16.130   0.6536 -1.008000 0.9151000 
1 1 1  -55    9   25 o   14.610   0.5612   15.490   0.6870   13.740   0.8875 1.753000 1.122000 
1 1 1  -55    9   26 o   3.8360   1.1690   3.7620   1.6220   3.9110   1.6850 -0.1493000 2.339000 
1 1 1  -55    9   27 o   14.000   0.5502   14.420   0.7295   13.570   0.8237 0.8483000 1.100000 
1 1 1  -55    9   28 o   11.770   0.6617   12.870   0.8132   10.670   1.0440 2.200000 1.323000 
1 1 1  -55    9   29 o   4.7040   1.2060   4.5300   1.6820   4.8790   1.7300 -0.3495000 2.412000 
1 1 1  -55    9   30 o   4.1470   1.2280   4.5200   1.7990   3.7740   1.6730 0.7459000 2.457000 
1 1 1  -55   11    1 o   9.8260   0.6973   10.070   0.9903   9.5780   0.9818 0.4948000 1.395000 
1 1 1  -55   11    2 o   11.790   1.0990   12.180   1.3040   11.410   1.7700 0.7727000 2.199000 
1 1 1  -55   11    3 o   18.470   0.7154   18.840   0.8873   18.100   1.1220 0.7415000 1.431000 
1 1 1  -55   11    4 o   10.490   1.5230   10.620   1.5470   10.350   2.6230 0.2641000 3.045000 
1 1 1  -55   11    5 o   16.660   1.2920   20.290   1.2290   13.020   2.2740 7.277000 2.585000 
1 1 1  -55   11    6 o   10.540   2.2550   10.540   2.2550  ?   ?       ?      ? 
1 1 1  -55   11    7 o   18.030   0.9213   18.620   1.3220   17.450   1.2840 1.172000 1.843000 
1 1 1  -55   11    8 o   10.990   1.4530   11.890   1.9970   10.080   2.1120 1.811000 2.906000 
1 1 1  -55   11    9 o   18.030   0.7345   16.530   0.9229   19.530   1.1430 -3.001000 1.469000 
1 1 1  -55   11   10 o   5.2410   1.3840   5.6420   1.9650   4.8410   1.9510 0.8019000 2.769000 
1 1 1  -55   11   11 o   5.6430   1.3580   6.7070   1.9350   4.5790   1.9060 2.127000 2.716000 
1 1 1  -55   11   12 o   4.1830   1.2820   4.3550   1.8460   4.0120   1.7800 0.3435000 2.564000 
1 1 1  -55   11   13 o   5.6320   0.8450   6.7950   0.9307   4.4680   1.4110 2.327000 1.690000 
1 1 1  -55   11   14 o   17.890   0.3228   17.450   0.4758   18.330   0.4365 -0.8807000 0.6457000 
1 1 1  -55   11   15 o   17.910   0.3254   17.910   0.4532   17.900   0.4671 0.1100000E-01 0.6509000 
1 1 1  -55   11   16 o   4.8350   0.9373   6.2500   1.2290   3.4190   1.4160 2.831000 1.875000 
1 1 1  -55   11   17 o   17.650   0.4902   17.470   0.7022   17.840   0.6841 -0.3643000 0.9804000 
1 1 1  -55   11   18 o   20.240   0.4568   19.870   0.6671   20.600   0.6243 -0.7290000 0.9136000 
1 1 1  -55   11   19 o   6.6130   1.0160   5.9320   1.4850   7.2940   1.3870 -1.362000 2.032000 
1 1 1  -55   11   20 o   5.6240   1.1440   5.8500   1.5430   5.3980   1.6890 0.4524000 2.288000 
1 1 1  -55   11   21 o   8.4400   0.8072   7.2350   1.2680   9.6450   0.9999 -2.410000 1.614000 
1 1 1  -55   11   22 o   3.0560   0.9810   2.5500   1.2230   3.5620   1.5340 -1.012000 1.962000 
1 1 1  -55   11   23 o   4.7230   1.1770   4.7930   1.6400   4.6520   1.6900 0.1414000 2.355000 
1 1 1  -55   11   24 o   5.7790   1.2090   4.8310   1.8520   6.7270   1.5530 -1.896000 2.417000 
1 1 1  -55   11   25 o   4.8420   1.2430   4.1220   1.6620   5.5610   1.8480 -1.440000 2.485000 
1 1 1  -55   11   26 o   12.590   0.6365   12.490   0.9231   12.690   0.8767 -0.2075000 1.273000 
1 1 1  -55   11   27 o   10.770   0.7027   9.9250   1.0340   11.610   0.9514 -1.682000 1.405000 
1 1 1  -55   11   28 o   11.550   0.7425   10.320   1.2030   12.770   0.8713 -2.456000 1.485000 
1 1 1  -55   11   29 o   8.6170   0.8837   9.0010   1.1950   8.2330   1.3020 0.7680000 1.767000 
1 1 1  -55   13    1 o   9.0070   0.5998   8.8160   0.8075   9.1990   0.8870 -0.3835000 1.200000 
1 1 1  -55   13    2 o   17.170   0.4392   16.660   0.6367   17.670   0.6050 -1.010000 0.8783000 
1 1 1  -55   13    3 o   12.140   0.4961   11.580   0.4781   12.700   0.8695 -1.120000 0.9922000 
1 1 1  -55   13    4 o   16.440   0.8048   15.800   1.0820   17.070   1.1910 -1.273000 1.610000 
1 1 1  -55   13    5 o   12.690   1.0380   13.510   1.2390   11.880   1.6650 1.637000 2.076000 
1 1 1  -55   13    6 o   4.4420   1.3730   4.2180   1.8840   4.6670   1.9970 -0.4498000 2.746000 
1 1 1  -55   13    7 o   6.2540   1.4650   5.2320   2.0460   7.2760   2.0990 -2.043000 2.931000 
1 1 1  -55   13    8 o   6.4560   1.3820   8.2530   1.9380   4.6580   1.9700 3.594000 2.763000 
1 1 1  -55   13    9 o   6.7180   1.4450   7.5200   1.9700   5.9170   2.1150 1.603000 2.890000 
1 1 1  -55   13   10 o   17.270   0.6647   17.400   0.9141   17.150   0.9652 0.2458000 1.329000 
1 1 1  -55   13   11 f   6.5700   1.1440   7.2270   1.9500   5.9130   1.1950 1.315000 2.287000 
1 1 1  -55   13   12 o   11.080   0.4643   10.830   0.6066   11.330   0.7031 -0.4980000 0.9287000 
1 1 1  -55   13   13 o   10.290   0.5011   9.9050   0.7334   10.680   0.6832 -0.7763000 1.002000 
1 1 1  -55   13   14 o   18.200   0.3177   17.580   0.4311   18.820   0.4667 -1.239000 0.6354000 
1 1 1  -55   13   15 o   18.140   0.3565   17.300   0.4794   18.980   0.5278 -1.677000 0.7130000 
1 1 1  -55   13   16 o   11.950   0.6900   11.240   0.8100   12.650   1.1170 -1.411000 1.380000 
1 1 1  -55   13   17 o   14.370   0.7179   14.070   1.0430   14.670   0.9869 -0.5987000 1.436000 
1 1 1  -55   13   18 f   18.790   0.3773   18.720   0.5223   18.860   0.5447 -0.1370000 0.7547000 
1 1 1  -55   13   19 o   7.0260   0.9784   8.1480   1.1370   5.9040   1.5920 2.244000 1.957000 
1 1 1  -55   13   20 o   9.0430   0.7646   8.3700   1.1120   9.7160   1.0500 -1.346000 1.529000 
1 1 1  -55   13   21 o   4.1550   1.1390   3.7350   1.5280   4.5750   1.6890 -0.8395000 2.278000 
1 1 1  -55   13   22 o   4.4340   1.1730   3.9050   1.5870   4.9640   1.7270 -1.058000 2.345000 
1 1 1  -55   13   23 o   3.9710   1.1500   4.2390   1.6600   3.7030   1.5910 0.5359000 2.300000 
1 1 1  -55   13   24 o   17.080   0.4692   17.670   0.6374   16.480   0.6888 1.185000 0.9385000 
1 1 1  -55   13   25 o   9.5140   0.9155   9.7540   1.2200   9.2740   1.3650 0.4796000 1.831000 
1 1 1  -55   13   26 o   3.9830   1.1500   3.5760   1.5490   4.3910   1.6990 -0.8143000 2.299000 
1 1 1  -55   13   27 o   3.4990   1.0880   3.2090   1.4580   3.7890   1.6170 -0.5803000 2.177000 
1 1 1  -55   13   28 o   10.450   0.8936   10.040   1.3480   10.860   1.1740 -0.8195000 1.787000 
1 1 1  -55   15    1 o   13.910   0.4681   13.190   0.6626   14.630   0.6613 -1.446000 0.9361000 
1 1 1  -55   15    2 o   11.570   0.5071   12.080   0.6511   11.070   0.7776 1.015000 1.014000 
1 1 1  -55   15    3 o   4.8270   0.9096   6.5300   1.1260   3.1240   1.4290 3.406000 1.819000 
1 1 1  -55   15    4 o   6.6220   0.8370   7.4890   0.8991   5.7560   1.4120 1.733000 1.674000 
1 1 1  -55   15    5 o   6.6760   1.0030   6.1020   1.6980   7.2510   1.0700 -1.149000 2.007000 
1 1 1  -55   15    6 o   12.280   0.6746   13.390   0.7584   11.170   1.1160 2.223000 1.349000 
1 1 1  -55   15    7 o   8.9870   0.8079   9.2530   0.9588   8.7200   1.3010 0.5330000 1.616000 
1 1 1  -55   15    8 o   6.8550   1.0170   8.2450   1.0320   5.4640   1.7530 2.781000 2.034000 
1 1 1  -55   15    9 o   17.940   0.4230   17.350   0.5472   18.540   0.6452 -1.184000 0.8460000 
1 1 1  -55   15   10 o   12.730   0.4730   11.950   0.7297   13.520   0.6020 -1.574000 0.9460000 
1 1 1  -55   15   11 o   8.2500   0.6532   8.4880   0.8037   8.0130   1.0300 0.4751000 1.306000 
1 1 1  -55   15   12 o   2.8140   0.9011   2.5380   1.1720   3.0890   1.3690 -0.5516000 1.802000 
1 1 1  -55   15   13 o   16.870   0.3602   17.460   0.4575   16.270   0.5564 1.182000 0.7204000 
1 1 1  -55   15   14 o   11.120   0.5422   11.480   0.6667   10.760   0.8552 0.7191000 1.084000 
1 1 1  -55   15   15 o   8.3780   0.9883   8.7390   1.3000   8.0170   1.4890 0.7211000 1.977000 
1 1 1  -55   15   16 o   11.840   0.7113   12.490   0.9132   11.200   1.0910 1.297000 1.423000 
1 1 1  -55   15   17 o   11.140   0.5996   10.610   0.8207   11.680   0.8744 -1.067000 1.199000 
1 1 1  -55   15   18 o   10.700   0.6879   11.790   0.8321   9.6040   1.0960 2.189000 1.376000 
1 1 1  -55   15   19 o   3.6560   1.0930   3.3500   1.4720   3.9620   1.6170 -0.6121000 2.187000 
1 1 1  -55   15   20 o   3.7880   1.1130   3.3670   1.4760   4.2100   1.6680 -0.8430000 2.227000 
1 1 1  -55   15   21 o   9.4640   0.8134   10.490   0.9481   8.4410   1.3220 2.045000 1.627000 
1 1 1  -55   15   22 o   6.0320   1.1850   5.9040   1.6430   6.1610   1.7070 -0.2564000 2.369000 
1 1 1  -55   15   23 o   4.1640   1.1420   4.9310   1.6990   3.3960   1.5260 1.535000 2.284000 
1 1 1  -55   15   24 o   4.4140   1.1710   5.5450   1.7770   3.2840   1.5240 2.261000 2.341000 
1 1 1  -55   15   25 f   3.1420   1.0320   3.0380   1.4280   3.2460   1.4900 -0.2077000 2.063000 
1 1 1  -55   15   26 o   2.9250   0.9969   2.7600   1.3460   3.0890   1.4710 -0.3290000 1.994000 
1 1 1  -55   15   27 o   2.5680   1.2900   2.5680   1.2900  ?   ?       ?      ? 
1 1 1  -55   17    1 o   14.760   0.6009   15.440   0.8474   14.070   0.8522 1.369000 1.202000 
1 1 1  -55   17    2 o   5.9580   1.2370   6.4730   1.7530   5.4430   1.7470 1.030000 2.475000 
1 1 1  -55   17    3 o   3.5970   1.0570   4.0270   1.5390   3.1660   1.4490 0.8603000 2.114000 
1 1 1  -55   17    4 o   14.150   0.4559   14.040   0.6108   14.270   0.6770 -0.2349000 0.9118000 
1 1 1  -55   17    5 f   9.7030   0.6379   10.410   0.7838   8.9950   1.0070 1.417000 1.276000 
1 1 1  -55   17    6 o   3.6230   0.9429   4.6860   1.4440   2.5600   1.2130 2.125000 1.886000 
1 1 1  -55   17    7 o   5.5430   1.0110   5.0480   1.4340   6.0380   1.4250 -0.9902000 2.022000 
1 1 1  -55   17    8 o   7.5640   0.8078   6.7810   1.2070   8.3470   1.0740 -1.566000 1.616000 
1 1 1  -55   17    9 o   11.800   0.5140   11.780   0.6852   11.820   0.7664 -0.3226000E-01 1.028000 
1 1 1  -55   17   10 o   17.790   0.3729   18.050   0.4854   17.520   0.5663 0.5270000 0.7459000 
1 1 1  -55   17   11 o   4.6280   0.9667   2.8600   1.2880   6.3970   1.4420 -3.537000 1.933000 
1 1 1  -55   17   12 o   8.8520   0.6866   8.5390   0.9348   9.1640   1.0060 -0.6249000 1.373000 
1 1 1  -55   17   13 o   10.820   0.7244   11.140   0.9464   10.500   1.0970 0.6386000 1.449000 
1 1 1  -55   17   14 o   12.730   0.6463   13.080   0.8645   12.370   0.9610 0.7041000 1.293000 
1 1 1  -55   17   15 f   3.3240   1.0260   3.5190   1.4820   3.1280   1.4200 0.3904000 2.052000 
1 1 1  -55   17   16 o   10.150   0.7379   11.780   0.7950   8.5290   1.2430 3.248000 1.476000 
1 1 1  -55   17   17 o   11.120   0.6598   10.850   0.9029   11.380   0.9625 -0.5322000 1.320000 
1 1 1  -55   17   18 o   6.3190   1.1420   5.7120   1.6350   6.9260   1.5950 -1.214000 2.284000 
1 1 1  -55   17   19 o   2.5640   0.8887   2.5830   1.2670   2.5440   1.2470 0.3928000E-01 1.777000 
1 1 1  -55   17   20 o   5.9770   1.1410   7.1850   1.4650   4.7690   1.7500 2.416000 2.282000 
1 1 1  -55   17   21 f   4.4170   1.1830   3.7930   1.5920   5.0410   1.7510 -1.247000 2.367000 
1 1 1  -55   17   22 o   3.2320   1.0430   3.1410   1.4410   3.3240   1.5090 -0.1832000 2.087000 
1 1 1  -55   17   23 o   6.5670   1.4150   6.8430   1.9800   6.2910   2.0210 0.5524000 2.829000 
1 1 1  -55   17   24 o   3.3570   1.1240   3.0670   1.4890   3.6480   1.6850 -0.5810000 2.249000 
1 1 1  -55   17   25 o   3.1380   1.0230   3.1790   1.4590   3.0960   1.4340 0.8260000E-01 2.046000 
1 1 1  -55   19    1 o   3.9740   1.1540   3.6810   1.6130   4.2660   1.6510 -0.5855000 2.308000 
1 1 1  -55   19    2 o   11.880   0.6443   11.540   0.9833   12.220   0.8328 -0.6802000 1.289000 
1 1 1  -55   19    3 o   12.840   0.5739   12.260   0.8824   13.430   0.7341 -1.169000 1.148000 
1 1 1  -55   19    4 o   6.1700   1.2430   7.4000   1.7280   4.9410   1.7880 2.459000 2.487000 
1 1 1  -55   19    5 o   3.7380   1.1710   3.5550   1.6220   3.9200   1.6880 -0.3650000 2.341000 
1 1 1  -55   19    6 o   4.1130   1.2190   4.4100   1.8090   3.8170   1.6340 0.5927000 2.438000 
1 1 1  -55   19    7 o   8.0060   1.1570   8.3230   1.7460   7.6880   1.5180 0.6343000 2.314000 
1 1 1  -55   19    8 o   3.6490   1.1440   3.2960   1.5460   4.0030   1.6860 -0.7065000 2.287000 
1 1 1  -55   19    9 f   3.6670   1.1360   3.5490   1.5700   3.7850   1.6420 -0.2354000 2.272000 
1 1 1  -55   19   10 o   4.1670   1.1640   5.0380   1.7700   3.2960   1.5120 1.742000 2.328000 
1 1 1  -55   19   11 o   19.870   0.3820   20.120   0.5090   19.630   0.5696 0.4872000 0.7639000 
1 1 1  -55   19   12 o   5.3090   1.0960   4.1200   1.5680   6.4980   1.5320 -2.379000 2.192000 
1 1 1  -55   19   13 o   3.9560   1.1270   4.1010   1.5910   3.8100   1.5950 0.2914000 2.253000 
1 1 1  -55   19   14 o   7.9910   0.9550   10.190   0.9679   5.7950   1.6460 4.391000 1.910000 
1 1 1  -55   19   15 o   3.8380   1.1070   4.2130   1.6170   3.4630   1.5120 0.7500000 2.214000 
1 1 1  -55   19   16 o   4.3870   1.1710   4.3730   1.6520   4.4010   1.6600 -0.2779000E-01 2.342000 
1 1 1  -55   19   17 o   7.4420   1.0360   9.0470   1.1290   5.8370   1.7370 3.209000 2.072000 
1 1 1  -55   19   18 o   9.6420   0.8234   10.650   0.9860   8.6300   1.3190 2.024000 1.647000 
1 1 1  -55   19   19 o   7.8540   1.0150   8.9720   1.1990   6.7360   1.6370 2.236000 2.029000 
1 1 1  -55   19   20 o   2.9160   0.9925   2.8720   1.3850   2.9600   1.4220 -0.8714000E-01 1.985000 
1 1 1  -55   19   21 o   2.7000   0.9509   3.2490   1.5580   2.1500   1.0900 1.099000 1.902000 
1 1 1  -55   19   22 o   5.4110   1.2950   4.9680   1.8270   5.8540   1.8360 -0.8861000 2.590000 
1 1 1  -55   19   23 o   2.1190   0.7568   2.0250   1.0320   2.2140   1.1070 -0.1883000 1.514000 
1 1 1  -55   21    1 o   6.1230   1.1880   6.4150   1.6290   5.8300   1.7300 0.5855000 2.376000 
1 1 1  -55   21    2 o   8.6390   0.8846   9.1290   1.1300   8.1500   1.3610 0.9789000 1.769000 
1 1 1  -55   21    3 o   10.800   0.6849   10.470   0.9964   11.140   0.9399 -0.6691000 1.370000 
1 1 1  -55   21    4 o   4.5430   1.1950   4.5240   1.6810   4.5620   1.7000 -0.3858000E-01 2.390000 
1 1 1  -55   21    5 o   4.0250   1.1890   3.8670   1.6450   4.1830   1.7170 -0.3159000 2.378000 
1 1 1  -55   21    6 o   3.1480   1.0250   2.7510   1.3460   3.5450   1.5480 -0.7941000 2.051000 
1 1 1  -55   21    7 o   12.710   0.6692   13.500   0.9856   11.910   0.9054 1.593000 1.338000 
1 1 1  -55   21    8 o   6.5330   1.2320   6.2380   1.8680   6.8270   1.6070 -0.5898000 2.464000 
1 1 1  -55   21    9 o   2.9330   0.9918   2.9780   1.4320   2.8880   1.3720 0.9025000E-01 1.984000 
1 1 1  -55   21   10 o   3.3500   1.0690   2.9310   1.4130   3.7690   1.6040 -0.8380000 2.138000 
1 1 1  -55   21   11 o   4.0860   1.1900   3.7840   1.6750   4.3880   1.6900 -0.6045000 2.379000 
1 1 1  -55   21   12 o   3.6570   1.0520   2.5340   1.2480   4.7800   1.6950 -2.246000 2.105000 
1 1 1  -55   21   13 o   4.0130   1.1480   3.8330   1.5970   4.1930   1.6490 -0.3593000 2.296000 
1 1 1  -55   21   14 o   3.2390   1.0420   3.9540   1.6800   2.5240   1.2330 1.430000 2.084000 
1 1 1  -55   21   15 o   3.0970   1.0190   3.8750   1.6750   2.3190   1.1610 1.557000 2.038000 
1 1 1  -55   21   16 o   3.5970   1.1260   3.6310   1.6070   3.5630   1.5790 0.6893000E-01 2.253000 
1 1 1  -55   21   17 o   3.2140   1.0520   3.5770   1.5980   2.8520   1.3700 0.7243000 2.105000 
1 1 1  -55   21   18 o   2.6750   0.9123   2.4740   1.2130   2.8760   1.3630 -0.4015000 1.825000 
1 1 1  -55   21   19 o   2.3370   0.8190   2.6500   1.2790   2.0240   1.0240 0.6257000 1.638000 
1 1 1  -55   21   20 o   4.0020   1.1720   3.3220   1.5300   4.6820   1.7750 -1.360000 2.344000 
1 1 1  -55   23    1 f   3.1260   1.0170   3.4650   1.5300   2.7870   1.3400 0.6779000 2.034000 
1 1 1  -55   23    2 o   5.0560   1.2440   5.3230   1.7350   4.7900   1.7840 0.5326000 2.488000 
1 1 1  -55   23    3 o   4.2720   1.2120   4.5890   1.7580   3.9540   1.6680 0.6349000 2.424000 
1 1 1  -55   23    4 o   3.6550   1.1300   3.1640   1.4750   4.1460   1.7130 -0.9816000 2.261000 
1 1 1  -55   23    5 o   5.6290   1.3170   5.0360   1.8220   6.2210   1.9030 -1.185000 2.635000 
1 1 1  -55   23    6 o   10.010   0.8841   9.8440   1.2660   10.180   1.2340 -0.3315000 1.768000 
1 1 1  -55   23    7 o   13.830   0.6412   14.600   0.8498   13.050   0.9603 1.548000 1.282000 
1 1 1  -55   23    8 o   9.4690   0.9300   10.180   1.1980   8.7590   1.4230 1.420000 1.860000 
1 1 1  -55   23    9 o   4.4170   1.2250   3.7530   1.5990   5.0820   1.8570 -1.329000 2.450000 
1 1 1  -55   23   10 o   4.2070   1.1940   4.8060   1.7920   3.6090   1.5790 1.197000 2.388000 
1 1 1  -55   23   11 o   3.2790   1.0730   3.8580   1.7080   2.7000   1.3000 1.158000 2.146000 
1 1 1  -55   23   12 o   3.6310   1.0840   2.8720   1.3970   4.3890   1.6590 -1.517000 2.169000 
1 1 1  -55   23   13 o   3.1090   1.0340   3.4450   1.5920   2.7720   1.3190 0.6735000 2.067000 
1 1 1  -55   23   14 o   3.2230   1.0590   3.8000   1.6910   2.6460   1.2750 1.154000 2.118000 
1 1 1  -55   23   15 o   2.2210   0.7916   2.2940   1.1610   2.1490   1.0770 0.1454000 1.583000 
1 1 1  -55   23   16 o   2.9290   0.9802   3.3730   1.5410   2.4850   1.2120 0.8878000 1.960000 
1 1 1  -55   23   17 o   2.0450   0.7454   2.1350   1.0940   1.9540   1.0120 0.1818000 1.491000 
1 1 1  -55   25    1 o   2.3200   0.8294   2.4070   1.2100   2.2320   1.1340 0.1753000 1.659000 
1 1 1  -55   25    2 o   3.4200   1.1000   3.4840   1.5360   3.3570   1.5750 0.1278000 2.200000 
1 1 1  -55   25    3 o   2.3030   0.8204   2.1430   1.0770   2.4620   1.2380 -0.3198000 1.641000 
1 1 1  -55   25    4 o   2.4450   0.8503   2.8690   1.3590   2.0200   1.0220 0.8494000 1.701000 
1 1 1  -55   25    5 o   2.6300   0.9062   2.5130   1.2320   2.7460   1.3290 -0.2328000 1.812000 
1 1 1  -55   25    6 o   2.0930   0.7466   1.9290   0.9815   2.2570   1.1250 -0.3277000 1.493000 
1 1 1  -55   25    7 o   4.8110   1.1980   5.2640   1.7170   4.3580   1.6700 0.9055000 2.396000 
1 1 1  -55   25    8 o   2.5910   0.8890   2.3480   1.1630   2.8350   1.3440 -0.4868000 1.778000 
1 1 1  -55   25    9 o   5.1220   1.2130   5.1740   1.7120   5.0690   1.7180 0.1056000 2.425000 
1 1 1  -55   25   10 o   2.6750   0.9083   2.9650   1.3840   2.3860   1.1760 0.5791000 1.817000 
1 1 1  -55   25   11 o   2.4450   0.8478   2.4370   1.1960   2.4530   1.2030 -0.1664000E-01 1.696000 
1 1 1  -54    0    1 o   15.080   0.5586   15.080   0.5586   15.080   0.5586 -0.000000 0.000000 
1 1 1  -54    0    2 o   16.050   0.5227   16.050   0.5227   16.050   0.5227 -0.000000 0.000000 
1 1 1  -54    0    3 o   19.920   0.4382   19.920   0.4382   19.920   0.4382 -0.000000 0.000000 
1 1 1  -54    0    4 o   6.8880   1.1760   6.8880   1.1760   6.8880   1.1760 0.000000 0.000000 
1 1 1  -54    0    5 o   12.370   0.6038   12.370   0.6038   12.370   0.6038 -0.000000 0.000000 
1 1 1  -54    0    6 o   14.880   0.4881   14.880   0.4881   14.880   0.4881 -0.000000 0.000000 
1 1 1  -54    0    7 o   2.8770   1.5970   2.8770   1.5970   2.8770   1.5970 0.000000 0.000000 
1 1 1  -54    0    8 o   3.6480   1.6360   3.6480   1.6360   3.6480   1.6360 -0.000000 0.000000 
1 1 1  -54    0    9 o   21.910   0.3522   21.910   0.3522   21.910   0.3522 -0.000000 0.000000 
1 1 1  -54    0   10 o   1.5030   1.0490   1.5030   1.0490   1.5030   1.0490 -0.000000 0.000000 
1 1 1  -54    0   11 f   14.630   0.4410   14.630   0.4410   14.630   0.4410 0.000000 0.000000 
1 1 1  -54    0   12 o   17.490   0.4011   17.490   0.4011   17.490   0.4011 0.000000 0.000000 
1 1 1  -54    0   13 o   24.490   0.4707   24.490   0.4707   24.490   0.4707 0.000000 0.000000 
1 1 1  -54    0   14 o   41.300   0.5781   41.300   0.5781   41.300   0.5781 -0.000000 0.000000 
1 1 1  -54    0   15 o   11.290   0.5937   11.290   0.5937   11.290   0.5937 -0.000000 0.000000 
1 1 1  -54    0   16 o   23.780   0.3776   23.780   0.3776   23.780   0.3776 0.000000 0.000000 
1 1 1  -54    0   17 o   1.9490   1.2990   1.9490   1.2990   1.9490   1.2990 0.000000 0.000000 
1 1 1  -54    0   18 o   13.010   0.5637   13.010   0.5637   13.010   0.5637 0.000000 0.000000 
1 1 1  -54    0   19 o   13.080   0.5817   13.080   0.5817   13.080   0.5817 -0.000000 0.000000 
1 1 1  -54    0   20 o   2.3460   1.4790   2.3460   1.4790   2.3460   1.4790 0.000000 0.000000 
1 1 1  -54    0   21 o   10.980   0.7029   10.980   0.7029   10.980   0.7029 -0.000000 0.000000 
1 1 1  -54    0   22 o   2.9760   1.7090   2.9760   1.7090   2.9760   1.7090 -0.000000 0.000000 
1 1 1  -54    0   23 o   12.800   0.9509   12.800   0.9509   12.800   0.9509 -0.000000 0.000000 
1 1 1  -54    0   24 o   7.7410   1.4480   7.7410   1.4480   7.7410   1.4480 -0.000000 0.000000 
1 1 1  -54    0   25 o   3.8030   1.9480   3.8030   1.9480   3.8030   1.9480 -0.000000 0.000000 
1 1 1  -54    0   26 o   10.540   0.9708   10.540   0.9708   10.540   0.9708 0.000000 0.000000 
1 1 1  -54    0   27 o   12.170   0.8602   12.170   0.8602   12.170   0.8602 -0.000000 0.000000 
1 1 1  -54    0   28 o   4.2590   2.3900   4.2590   2.3900   4.2590   2.3900 0.000000 0.000000 
1 1 1  -54    0   29 o   20.570   0.5758   20.570   0.5758   20.570   0.5758 -0.000000 0.000000 
1 1 1  -54    0   30 o   2.9350   1.8140   2.9350   1.8140   2.9350   1.8140 -0.000000 0.000000 
1 1 1  -54    0   31 o   2.7200   1.7260   2.7200   1.7260   2.7200   1.7260 -0.000000 0.000000 
1 1 1  -54    0   32 o   2.3190   1.5590   2.3190   1.5590   2.3190   1.5590 -0.000000 0.000000 
1 1 1  -54    2    1 o   12.690   0.4398   12.840   0.6350   12.540   0.6086 0.3032000 0.8796000 
1 1 1  -54    2    2 o   18.250   0.3631   17.840   0.5383   18.670   0.4875 -0.8320000 0.7263000 
1 1 1  -54    2    3 o   11.750   0.5731   12.340   0.8346   11.170   0.7858 1.168000 1.146000 
1 1 1  -54    2    4 o   16.960   0.4099   16.970   0.6069   16.950   0.5512 0.1511000E-01 0.8198000 
1 1 1  -54    2    5 o   6.4440   0.8324   7.2960   0.8968   5.5920   1.4030 1.704000 1.665000 
1 1 1  -54    2    6 o   23.470   0.2793   23.180   0.3460   23.760   0.4385 -0.5769000 0.5585000 
1 1 1  -54    2    7 o   7.8810   0.4898   8.6520   0.6529   7.1090   0.7303 1.543000 0.9796000 
1 1 1  -54    2    8 o   8.5970   0.6317   8.5490   0.7084   8.6450   1.0460 -0.9580000E-01 1.263000 
1 1 1  -54    2    9 o   11.800   0.5777   12.100   0.8187   11.500   0.8152 0.6077000 1.155000 
1 1 1  -54    2   10 o   13.740   0.4655   13.930   0.6095   13.540   0.7037 0.3825000 0.9309000 
1 1 1  -54    2   11 o   14.740   0.3387   14.810   0.4907   14.660   0.4668 0.1491000 0.6773000 
1 1 1  -54    2   12 o   27.580   0.2499   27.490   0.3570   27.670   0.3498 -0.1825000 0.4998000 
1 1 1  -54    2   13 o   17.980   0.2850   18.500   0.4091   17.460   0.3970 1.038000 0.5700000 
1 1 1  -54    2   14 o   36.460   0.2783   36.620   0.3977   36.290   0.3893 0.3289000 0.5565000 
1 1 1  -54    2   15 o   35.850   0.3224   35.700   0.4620   36.000   0.4497 -0.2982000 0.6448000 
1 1 1  -54    2   16 f   10.110   0.5745   10.560   0.8023   9.6600   0.8226 0.9049000 1.149000 
1 1 1  -54    2   17 o   23.610   0.2727   23.890   0.3867   23.330   0.3846 0.5596000 0.5454000 
1 1 1  -54    2   18 o   4.7050   0.9085   3.2930   1.3560   6.1160   1.2100 -2.824000 1.817000 
1 1 1  -54    2   19 o   16.980   0.3419   17.000   0.4885   16.960   0.4784 0.4586000E-01 0.6838000 
1 1 1  -54    2   20 o   25.740   0.2844   26.140   0.4026   25.350   0.4017 0.7908000 0.5687000 
1 1 1  -54    2   21 f   12.110   0.4768   12.180   0.6653   12.040   0.6832 0.1380000 0.9536000 
1 1 1  -54    2   22 o   9.8900   0.7137   11.310   0.8916   8.4670   1.1150 2.845000 1.427000 
1 1 1  -54    2   23 o   6.2450   0.9834   7.6880   1.1070   4.8010   1.6260 2.887000 1.967000 
1 1 1  -54    2   24 o   16.540   0.4696   17.330   0.6036   15.750   0.7196 1.580000 0.9392000 
1 1 1  -54    2   25 o   13.740   0.5280   13.940   0.7637   13.530   0.7294 0.4149000 1.056000 
1 1 1  -54    2   26 o   12.230   0.5848   13.080   0.7797   11.370   0.8719 1.707000 1.170000 
1 1 1  -54    2   27 o   5.1080   1.2110   3.8250   1.6360   6.3900   1.7860 -2.565000 2.422000 
1 1 1  -54    2   28 o   4.4360   1.2610   4.2850   1.7350   4.5860   1.8310 -0.3008000 2.522000 
1 1 1  -54    2   29 o   14.960   0.6339   15.340   0.8715   14.590   0.9208 0.7554000 1.268000 
1 1 1  -54    2   30 o   3.6550   1.1170   3.6820   1.5750   3.6280   1.5850 0.5358000E-01 2.234000 
1 1 1  -54    2   31 o   9.0300   0.8496   8.6780   1.2230   9.3830   1.1790 -0.7043000 1.699000 
1 1 1  -54    2   32 o   2.4570   0.8544   2.5680   1.2510   2.3450   1.1640 0.2235000 1.709000 
1 1 1  -54    4    1 o   22.360   0.3189   22.680   0.4466   22.030   0.4553 0.6469000 0.6378000 
1 1 1  -54    4    2 o   11.670   0.3864   11.030   0.5634   12.310   0.5290 -1.283000 0.7728000 
1 1 1  -54    4    3 o   11.930   0.8867   13.100   0.9707   10.750   1.4840 2.347000 1.773000 
1 1 1  -54    4    4 o   11.740   0.8746   11.370   1.1480   12.100   1.3200 -0.7229000 1.749000 
1 1 1  -54    4    5 o   19.440   0.5448   20.250   0.6884   18.620   0.8447 1.630000 1.090000 
1 1 1  -54    4    6 o   9.7970   1.0230   8.1700   1.5640   11.420   1.3190 -3.254000 2.046000 
1 1 1  -54    4    7 o   22.800   0.4770   23.490   0.6106   22.110   0.7329 1.382000 0.9539000 
1 1 1  -54    4    8 o   28.180   0.4125   27.840   0.5752   28.520   0.5914 -0.6760000 0.8250000 
1 1 1  -54    4    9 o   8.6810   0.9910   9.9060   1.1260   7.4570   1.6310 2.449000 1.982000 
1 1 1  -54    4   10 o   9.0090   0.9230   9.3110   1.2170   8.7060   1.3890 0.6052000 1.846000 
1 1 1  -54    4   11 f   40.180   0.2868   40.000   0.4046   40.350   0.4066 -0.3502000 0.5736000 
1 1 1  -54    4   12 o   26.920   0.3000   26.700   0.4161   27.140   0.4321 -0.4321000 0.5999000 
1 1 1  -54    4   13 o   3.0210   0.8940   2.8610   1.2380   3.1810   1.2900 -0.3205000 1.788000 
1 1 1  -54    4   14 o   12.940   0.3877   12.540   0.5748   13.350   0.5204 -0.8161000 0.7754000 
1 1 1  -54    4   15 o   17.450   0.3129   17.280   0.4570   17.620   0.4274 -0.3379000 0.6257000 
1 1 1  -54    4   16 o   9.8640   0.5721   9.0990   0.8143   10.630   0.8039 -1.530000 1.144000 
1 1 1  -54    4   17 o   20.420   0.3620   20.440   0.5246   20.410   0.4990 0.2593000E-01 0.7240000 
1 1 1  -54    4   18 o   12.960   0.4220   12.530   0.6183   13.390   0.5744 -0.8651000 0.8439000 
1 1 1  -54    4   19 o   3.3100   0.9234   2.3490   1.1250   4.2700   1.4640 -1.921000 1.847000 
1 1 1  -54    4   20 o   29.330   0.3354   29.130   0.4883   29.540   0.4600 -0.4098000 0.6709000 
1 1 1  -54    4   21 o   3.7270   1.0470   4.8070   1.6690   2.6470   1.2630 2.160000 2.093000 
1 1 1  -54    4   22 o   3.3440   0.9895   2.7730   1.2700   3.9150   1.5170 -1.142000 1.979000 
1 1 1  -54    4   23 o   15.410   0.4166   15.820   0.5662   15.000   0.6112 0.8198000 0.8331000 
1 1 1  -54    4   24 o   17.620   0.3930   17.390   0.5638   17.840   0.5477 -0.4516000 0.7860000 
1 1 1  -54    4   25 o   15.120   0.5179   15.140   0.6883   15.110   0.7740 0.3085000E-01 1.036000 
1 1 1  -54    4   26 o   7.6290   1.0810   8.4110   1.3130   6.8480   1.7190 1.563000 2.163000 
1 1 1  -54    4   27 o   4.4980   1.1660   3.7580   1.5770   5.2380   1.7170 -1.481000 2.332000 
1 1 1  -54    4   28 o   12.870   0.6056   13.530   0.8070   12.210   0.9031 1.318000 1.211000 
1 1 1  -54    4   29 o   4.4110   1.2500   3.6480   1.6460   5.1740   1.8820 -1.526000 2.500000 
1 1 1  -54    4   30 o   12.780   0.7319   12.430   1.0290   13.140   1.0410 -0.7121000 1.464000 
1 1 1  -54    4   31 o   9.2830   0.8293   8.7890   1.2090   9.7760   1.1360 -0.9873000 1.659000 
1 1 1  -54    4   32 o   7.9490   1.1700   9.2530   1.3100   6.6450   1.9400 2.607000 2.341000 
1 1 1  -54    6    1 o   4.6590   0.8461   5.9280   1.0460   3.3900   1.3300 2.538000 1.692000 
1 1 1  -54    6    2 o   7.5900   1.3620   8.7220   1.6390   6.4580   2.1760 2.264000 2.724000 
1 1 1  -54    6    3 o   12.920   0.9662   15.450   0.9271   10.390   1.6950 5.060000 1.932000 
1 1 1  -54    6    4 o   20.910   0.5592   21.080   0.7137   20.740   0.8610 0.3375000 1.118000 
1 1 1  -54    6    5 o   21.800   0.5396   22.550   0.6673   21.050   0.8481 1.502000 1.079000 
1 1 1  -54    6    6 o   25.200   0.4828   25.150   0.6266   25.260   0.7347 -0.1097000 0.9656000 
1 1 1  -54    6    7 o   13.140   0.7317   12.630   1.0260   13.640   1.0440 -1.012000 1.463000 
1 1 1  -54    6    8 o   5.1670   1.3190   5.0860   1.8420   5.2480   1.8890 -0.1620000 2.638000 
1 1 1  -54    6    9 o   33.900   0.4238   33.590   0.5886   34.210   0.6099 -0.6245000 0.8476000 
1 1 1  -54    6   10 o   29.780   0.4234   29.220   0.5844   30.330   0.6127 -1.106000 0.8467000 
1 1 1  -54    6   11 o   26.290   0.4279   26.350   0.5898   26.220   0.6199 0.1263000 0.8557000 
1 1 1  -54    6   12 o   16.410   0.4286   15.960   0.7689   16.870   0.3792 -0.9064000 0.8573000 
1 1 1  -54    6   13 o   7.1740   0.8070   8.3800   0.8732   5.9690   1.3570 2.411000 1.614000 
1 1 1  -54    6   14 o   18.560   0.3001   18.690   0.4283   18.440   0.4204 0.2506000 0.6002000 
1 1 1  -54    6   15 o   32.130   0.2766   31.670   0.3949   32.590   0.3875 -0.9105000 0.5533000 
1 1 1  -54    6   16 o   17.960   0.3181   17.920   0.4543   17.990   0.4454 -0.6548000E-01 0.6363000 
1 1 1  -54    6   17 o   11.420   0.6087   11.170   0.8989   11.680   0.8209 -0.5118000 1.217000 
1 1 1  -54    6   18 o   15.740   0.4340   15.310   0.6569   16.170   0.5674 -0.8610000 0.8680000 
1 1 1  -54    6   19 o   23.340   0.3469   23.360   0.5100   23.320   0.4703 0.3709000E-01 0.6937000 
1 1 1  -54    6   20 o   3.9530   1.0240   3.2610   1.3780   4.6440   1.5160 -1.384000 2.049000 
1 1 1  -54    6   21 o   12.520   0.4808   12.220   0.6685   12.810   0.6913 -0.5916000 0.9617000 
1 1 1  -54    6   22 o   15.370   0.4210   15.900   0.5666   14.840   0.6227 1.057000 0.8419000 
1 1 1  -54    6   23 o   9.1020   0.7240   9.8840   0.9073   8.3200   1.1280 1.564000 1.448000 
1 1 1  -54    6   24 o   5.6630   1.1200   5.7240   1.5680   5.6030   1.6010 0.1213000 2.241000 
1 1 1  -54    6   25 o   18.250   0.5495   18.890   0.6974   17.620   0.8495 1.262000 1.099000 
1 1 1  -54    6   26 o   11.340   0.6412   10.680   0.9390   11.990   0.8735 -1.310000 1.282000 
1 1 1  -54    6   27 o   4.2620   1.1040   5.3210   1.6570   3.2030   1.4610 2.119000 2.209000 
1 1 1  -54    6   28 o   2.9660   0.9834   2.8020   1.3320   3.1300   1.4470 -0.3283000 1.967000 
1 1 1  -54    6   29 o   7.8800   1.0010   7.3730   1.4680   8.3870   1.3600 -1.014000 2.001000 
1 1 1  -54    6   30 o   2.9590   1.0090   3.0960   1.4710   2.8210   1.3800 0.2745000 2.017000 
1 1 1  -54    6   31 f   4.2410   1.1580   3.7240   1.5680   4.7580   1.7040 -1.034000 2.316000 
1 1 1  -54    8    1 o   25.240   0.3928   24.590   0.6880   25.890   0.3794 -1.299000 0.7856000 
1 1 1  -54    8    2 o   15.990   0.7513   15.840   0.9562   16.140   1.1590 -0.3051000 1.503000 
1 1 1  -54    8    3 f   15.490   1.2000  ?   ?    15.490   1.2000      ?      ? 
1 1 1  -54    8    4 o   25.060   0.5305   25.000   0.6794   25.120   0.8150 -0.1186000 1.061000 
1 1 1  -54    8    5 o   10.410   1.1000   10.540   1.3310   10.290   1.7510 0.2498000 2.199000 
1 1 1  -54    8    6 o   6.5650   1.4400   6.8260   1.8810   6.3030   2.1810 0.5238000 2.880000 
1 1 1  -54    8    7 o   6.1280   1.3640   6.9790   1.8540   5.2760   2.0020 1.703000 2.729000 
1 1 1  -54    8    8 o   14.720   0.6750   13.600   0.9788   15.830   0.9297 -2.229000 1.350000 
1 1 1  -54    8    9 o   16.790   0.5814   17.180   0.7790   16.390   0.8634 0.7858000 1.163000 
1 1 1  -54    8   10 o   13.250   0.7230   13.430   0.9642   13.060   1.0780 0.3781000 1.446000 
1 1 1  -54    8   11 o   13.120   0.7278   13.590   0.9639   12.640   1.0910 0.9508000 1.456000 
1 1 1  -54    8   12 o   4.9110   1.2140   6.3080   1.8130   3.5140   1.6150 2.794000 2.428000 
1 1 1  -54    8   13 o   26.150   0.2804   26.380   0.3549   25.930   0.4342 0.4491000 0.5607000 
1 1 1  -54    8   14 o   16.890   0.3218   16.790   0.4790   16.990   0.4299 -0.1975000 0.6436000 
1 1 1  -54    8   15 o   15.930   0.3885   16.100   0.5619   15.770   0.5367 0.3232000 0.7770000 
1 1 1  -54    8   16 o   11.360   0.5334   10.310   0.8327   12.410   0.6668 -2.100000 1.067000 
1 1 1  -54    8   17 o   18.260   0.4927   18.000   0.6610   18.530   0.7309 -0.5284000 0.9855000 
1 1 1  -54    8   18 o   9.7740   0.7734   9.8190   1.1300   9.7290   1.0560 0.8994000E-01 1.547000 
1 1 1  -54    8   19 o   5.7400   0.9872   5.3340   1.4380   6.1450   1.3530 -0.8107000 1.974000 
1 1 1  -54    8   20 o   15.500   0.4070   15.060   0.5773   15.940   0.5739 -0.8749000 0.8141000 
1 1 1  -54    8   21 o   13.110   0.4904   12.950   0.6830   13.280   0.7039 -0.3281000 0.9808000 
1 1 1  -54    8   22 o   4.3350   1.1160   4.1270   1.5320   4.5420   1.6230 -0.4145000 2.232000 
1 1 1  -54    8   23 o   7.8190   0.9696   8.5140   1.1590   7.1230   1.5550 1.390000 1.939000 
1 1 1  -54    8   24 o   12.010   0.5657   11.550   0.7906   12.470   0.8095 -0.9181000 1.131000 
1 1 1  -54    8   25 o   12.330   0.6484   12.750   0.8211   11.900   1.0040 0.8493000 1.297000 
1 1 1  -54    8   26 o   15.310   0.5181   15.440   0.7381   15.180   0.7272 0.2625000 1.036000 
1 1 1  -54    8   27 o   18.860   0.4336   19.300   0.5941   18.420   0.6316 0.8877000 0.8671000 
1 1 1  -54    8   28 o   15.960   0.5267   16.510   0.7412   15.410   0.7485 1.099000 1.053000 
1 1 1  -54    8   29 o   3.1780   1.0290   3.2830   1.4760   3.0730   1.4340 0.2097000 2.058000 
1 1 1  -54    8   30 o   3.8710   1.1900   4.2220   1.7500   3.5210   1.6130 0.7009000 2.380000 
1 1 1  -54    8   31 o   2.4150   0.8659   1.9610   0.9997   2.8690   1.4140 -0.9086000 1.732000 
1 1 1  -54   10    1 o   5.9200   0.9897   4.7170   1.3630   7.1230   1.4360 -2.406000 1.979000 
1 1 1  -54   10    2 f   10.050   1.7490   10.750   2.1160   9.3510   2.7860 1.402000 3.498000 
1 1 1  -54   10    3 o   5.7180   1.7160   5.5800   2.3050   5.8550   2.5420 -0.2747000 3.431000 
1 1 1  -54   10    4 o   7.8700   1.8440   6.3850   2.4400   9.3550   2.7640 -2.970000 3.687000 
1 1 1  -54   10    5 o   10.210   1.4610   9.2110   2.3820   11.210   1.6910 -1.997000 2.921000 
1 1 1  -54   10    6 o   29.640   0.6954   31.000   0.9721   28.280   0.9946 2.721000 1.391000 
1 1 1  -54   10    7 o   16.980   0.8375   16.820   1.3820   17.150   0.9461 -0.3345000 1.675000 
1 1 1  -54   10    8 o   10.020   1.3670   9.7510   2.2470   10.300   1.5560 -0.5474000 2.733000 
1 1 1  -54   10    9 o   24.120   0.7084   22.810   1.0570   25.420   0.9430 -2.614000 1.417000 
1 1 1  -54   10   10 o   9.1760   1.5990   9.8900   2.2160   8.4620   2.3050 1.428000 3.198000 
1 1 1  -54   10   11 f   22.340   0.7592   23.320   1.0990   21.370   1.0480 1.958000 1.518000 
1 1 1  -54   10   12 o   16.510   0.9550   17.370   1.3460   15.650   1.3550 1.727000 1.910000 
1 1 1  -54   10   13 o   28.390   0.4340   28.390   0.4340  ?   ?       ?      ? 
1 1 1  -54   10   14 o   11.730   0.4312   11.380   0.6435   12.080   0.5741 -0.7077000 0.8624000 
1 1 1  -54   10   15 o   23.090   0.2891   22.860   0.4096   23.320   0.4081 -0.4548000 0.5782000 
1 1 1  -54   10   16 o   4.9730   1.0250   4.7750   1.4440   5.1710   1.4530 -0.3954000 2.049000 
1 1 1  -54   10   17 o   13.560   0.6064   13.220   0.9067   13.910   0.8054 -0.6819000 1.213000 
1 1 1  -54   10   18 o   3.2160   1.0490   3.3950   1.5380   3.0380   1.4270 0.3567000 2.098000 
1 1 1  -54   10   19 o   13.510   0.4512   13.520   0.6221   13.500   0.6537 0.1962000E-01 0.9024000 
1 1 1  -54   10   20 o   9.0240   0.7581   8.8750   1.0410   9.1730   1.1030 -0.2984000 1.516000 
1 1 1  -54   10   21 o   5.7360   1.1550   6.0030   1.5570   5.4700   1.7070 0.5325000 2.311000 
1 1 1  -54   10   22 o   6.2720   1.0530   5.6670   1.5360   6.8780   1.4420 -1.211000 2.106000 
1 1 1  -54   10   23 o   11.990   0.5793   11.870   0.7861   12.110   0.8512 -0.2413000 1.159000 
1 1 1  -54   10   24 o   13.890   0.5134   13.960   0.6988   13.810   0.7524 0.1543000 1.027000 
1 1 1  -54   10   25 o   8.3250   0.9982   8.4990   1.2970   8.1510   1.5180 0.3483000 1.996000 
1 1 1  -54   10   26 o   9.1310   0.9012   8.0800   1.4270   10.180   1.1010 -2.101000 1.802000 
1 1 1  -54   10   27 o   17.160   0.4624   17.510   0.6237   16.820   0.6827 0.6856000 0.9247000 
1 1 1  -54   10   28 o   13.130   0.5822   13.100   0.7878   13.150   0.8575 -0.4963000E-01 1.164000 
1 1 1  -54   10   29 o   2.8390   0.9539   2.6450   1.2760   3.0320   1.4180 -0.3865000 1.908000 
1 1 1  -54   10   30 o   2.1810   0.7841   1.9200   0.9838   2.4410   1.2210 -0.5216000 1.568000 
1 1 1  -54   12    1 o   16.850   0.4265   16.600   0.7056   17.090   0.4792 -0.4866000 0.8529000 
1 1 1  -54   12    2 o   14.030   0.3932   13.790   0.4399   14.270   0.6518 -0.4833000 0.7863000 
1 1 1  -54   12    3 o   8.2390   1.4740   8.3820   1.9090   8.0960   2.2460 0.2866000 2.947000 
1 1 1  -54   12    4 o   19.950   0.6620   19.840   0.8710   20.070   0.9973 -0.2358000 1.324000 
1 1 1  -54   12    5 f   14.570   0.8585   14.850   1.0960   14.300   1.3220 0.5511000 1.717000 
1 1 1  -54   12    6 o   19.580   0.6220   19.390   0.8850   19.760   0.8742 -0.3672000 1.244000 
1 1 1  -54   12    7 o   14.560   0.7957   15.940   1.0130   13.180   1.2280 2.755000 1.591000 
1 1 1  -54   12    8 o   19.910   0.5948   19.280   0.8608   20.530   0.8212 -1.248000 1.190000 
1 1 1  -54   12    9 o   23.570   0.5251   23.700   0.7361   23.450   0.7489 0.2536000 1.050000 
1 1 1  -54   12   10 o   25.950   0.5024   25.880   0.7073   26.020   0.7138 -0.1456000 1.005000 
1 1 1  -54   12   11 o   22.390   0.4092   22.200   0.7471   22.590   0.3342 -0.3861000 0.8185000 
1 1 1  -54   12   12 o   2.1560   0.7333   2.0430   0.9808   2.2700   1.0900 -0.2269000 1.467000 
1 1 1  -54   12   13 o   31.550   0.3027   31.480   0.4590   31.620   0.3948 -0.1481000 0.6055000 
1 1 1  -54   12   14 o   8.2640   0.6149   8.4490   0.7731   8.0800   0.9564 0.3684000 1.230000 
1 1 1  -54   12   15 o   14.240   0.4160   13.680   0.6018   14.810   0.5744 -1.136000 0.8319000 
1 1 1  -54   12   16 o   22.150   0.3188   22.430   0.4444   21.860   0.4571 0.5744000 0.6375000 
1 1 1  -54   12   17 o   9.4470   1.0940   11.030   1.2600   7.8600   1.7880 3.174000 2.188000 
1 1 1  -54   12   18 o   21.250   0.3747   21.350   0.5131   21.150   0.5461 0.2058000 0.7493000 
1 1 1  -54   12   19 o   11.340   0.6146   11.070   0.8368   11.620   0.9004 -0.5497000 1.229000 
1 1 1  -54   12   20 o   7.9550   0.8647   9.0940   0.9976   6.8160   1.4130 2.279000 1.729000 
1 1 1  -54   12   21 o   4.4300   1.1360   4.7830   1.6010   4.0760   1.6120 0.7072000 2.272000 
1 1 1  -54   12   22 o   18.330   0.4103   18.390   0.5576   18.260   0.6021 0.1294000 0.8206000 
1 1 1  -54   12   23 o   8.2620   0.9018   8.1510   1.2300   8.3720   1.3190 -0.2206000 1.804000 
1 1 1  -54   12   24 o   11.880   0.6419   12.290   0.8423   11.480   0.9690 0.8046000 1.284000 
1 1 1  -54   12   25 o   14.230   0.6502   15.520   0.7754   12.930   1.0440 2.591000 1.300000 
1 1 1  -54   12   26 o   9.5070   0.8454   10.720   0.9777   8.2890   1.3790 2.434000 1.691000 
1 1 1  -54   12   27 o   3.9450   1.1010   4.9060   1.6960   2.9840   1.4030 1.922000 2.201000 
1 1 1  -54   12   28 o   5.2340   1.1920   5.9170   1.6550   4.5510   1.7150 1.366000 2.384000 
1 1 1  -54   12   29 o   3.3750   1.1440   3.4320   1.6360   3.3170   1.5980 0.1146000 2.287000 
1 1 1  -54   14    1 o   6.6430   0.8636   5.7960   1.3170   7.4900   1.1180 -1.693000 1.727000 
1 1 1  -54   14    2 o   5.5550   0.9239   5.2870   1.2920   5.8220   1.3210 -0.5357000 1.848000 
1 1 1  -54   14    3 o   11.590   0.5881   11.090   0.8937   12.100   0.7646 -1.012000 1.176000 
1 1 1  -54   14    4 o   6.6080   1.1140   7.1040   1.3880   6.1110   1.7430 0.9927000 2.229000 
1 1 1  -54   14    5 o   19.670   0.3761   19.230   0.3560   20.110   0.6626 -0.8828000 0.7522000 
1 1 1  -54   14    6 o   7.9540   0.6915   8.3050   0.5751   7.6040   1.2580 0.7014000 1.383000 
1 1 1  -54   14    7 o   9.4820   0.8223   11.150   1.4700   7.8140   0.7381 3.336000 1.645000 
1 1 1  -54   14    8 o   14.640   0.3569   15.060   0.3513   14.220   0.6215 0.8406000 0.7139000 
1 1 1  -54   14    9 f   16.040   0.3456   16.570   0.3489   15.510   0.5966 1.061000 0.6911000 
1 1 1  -54   14   10 o   19.340   0.3538   19.510   0.4489   19.170   0.5469 0.3431000 0.7075000 
1 1 1  -54   14   11 o   11.650   0.4470   11.300   0.6538   12.000   0.6096 -0.7051000 0.8939000 
1 1 1  -54   14   12 o   10.430   0.5059   9.6470   0.6886   11.210   0.7414 -1.564000 1.012000 
1 1 1  -54   14   13 o   13.010   0.4474   12.660   0.5677   13.360   0.6916 -0.6921000 0.8948000 
1 1 1  -54   14   14 o   20.060   0.3518   20.150   0.4466   19.960   0.5437 0.1910000 0.7036000 
1 1 1  -54   14   15 o   15.950   0.4301   16.950   0.4995   14.940   0.7004 2.010000 0.8602000 
1 1 1  -54   14   16 o   11.600   0.6990   11.200   0.9680   12.010   1.0090 -0.8105000 1.398000 
1 1 1  -54   14   17 o   13.650   0.4877   12.860   0.7029   14.450   0.6762 -1.582000 0.9753000 
1 1 1  -54   14   18 o   12.060   0.5692   11.910   0.7961   12.200   0.8137 -0.2813000 1.138000 
1 1 1  -54   14   19 o   9.2440   0.7523   9.0610   1.0440   9.4270   1.0830 -0.3665000 1.505000 
1 1 1  -54   14   20 o   3.8070   1.1130   3.6230   1.5220   3.9920   1.6250 -0.3691000 2.227000 
1 1 1  -54   14   21 f   20.110   0.4032   19.660   0.5619   20.560   0.5783 -0.8932000 0.8063000 
1 1 1  -54   14   22 o   3.1910   1.0030   2.2080   1.1010   4.1740   1.6780 -1.967000 2.007000 
1 1 1  -54   14   23 o   17.370   0.4631   17.700   0.6289   17.040   0.6801 0.6544000 0.9263000 
1 1 1  -54   14   24 o   3.9840   1.1990   3.8020   1.6450   4.1670   1.7450 -0.3649000 2.398000 
1 1 1  -54   14   25 o   4.1550   1.1840   5.0510   1.8160   3.2580   1.5190 1.794000 2.367000 
1 1 1  -54   14   26 o   5.7430   1.1620   6.9770   1.5450   4.5090   1.7340 2.468000 2.323000 
1 1 1  -54   14   27 o   3.2160   1.0680   3.4450   1.5850   2.9880   1.4330 0.4573000 2.137000 
1 1 1  -54   14   28 o   2.5740   0.9006   2.4050   1.2010   2.7430   1.3430 -0.3382000 1.801000 
1 1 1  -54   16    1 o   14.290   0.5472   14.920   0.6813   13.670   0.8565 1.252000 1.094000 
1 1 1  -54   16    2 o   4.6040   1.0830   5.4720   1.5680   3.7370   1.4940 1.735000 2.166000 
1 1 1  -54   16    3 o   7.8870   0.9049   8.9080   1.0020   6.8670   1.5070 2.041000 1.810000 
1 1 1  -54   16    4 o   4.2340   1.0840   4.0800   1.5270   4.3880   1.5380 -0.3081000 2.167000 
1 1 1  -54   16    5 o   3.5070   1.0130   3.6220   1.4300   3.3920   1.4360 0.2298000 2.027000 
1 1 1  -54   16    6 o   2.8850   0.9008   3.1600   1.3250   2.6100   1.2210 0.5505000 1.802000 
1 1 1  -54   16    7 o   9.5020   0.5811   10.260   0.7137   8.7460   0.9173 1.511000 1.162000 
1 1 1  -54   16    8 f   24.150   0.2986   24.080   0.4102   24.230   0.4342 -0.1444000 0.5973000 
1 1 1  -54   16    9 o   6.8720   0.8293   6.0590   1.2470   7.6850   1.0930 -1.627000 1.659000 
1 1 1  -54   16   10 o   10.590   0.5848   12.260   0.6349   8.9280   0.9824 3.327000 1.170000 
1 1 1  -54   16   11 o   3.3890   0.9574   4.0770   1.4400   2.7010   1.2620 1.376000 1.915000 
1 1 1  -54   16   12 o   3.2600   0.9812   3.1220   1.3390   3.3970   1.4340 -0.2755000 1.962000 
1 1 1  -54   16   13 o   8.6490   0.8466   9.4570   0.8572   7.8400   1.4600 1.617000 1.693000 
1 1 1  -54   16   14 o   6.3040   1.2110   6.5340   1.6470   6.0740   1.7770 0.4600000 2.422000 
1 1 1  -54   16   15 o   4.9810   1.2080   4.7320   1.7520   5.2300   1.6630 -0.4981000 2.416000 
1 1 1  -54   16   16 o   10.800   0.6263   10.750   0.8097   10.850   0.9556 -0.1052000 1.253000 
1 1 1  -54   16   17 o   13.490   0.5389   13.490   0.7164   13.490   0.8052 0.4772000E-02 1.078000 
1 1 1  -54   16   18 f   7.2610   1.0720   6.4260   1.6390   8.0960   1.3830 -1.670000 2.144000 
1 1 1  -54   16   19 o   24.270   0.3812   24.620   0.5494   23.920   0.5285 0.7057000 0.7623000 
1 1 1  -54   16   20 o   8.5060   0.9127   8.5750   1.2150   8.4360   1.3620 0.1398000 1.825000 
1 1 1  -54   16   21 o   3.9760   1.1540   4.1860   1.6470   3.7670   1.6170 0.4191000 2.308000 
1 1 1  -54   16   22 o   4.4720   1.2000   4.0660   1.6390   4.8770   1.7540 -0.8105000 2.401000 
1 1 1  -54   16   23 o   3.7360   1.1370   3.9480   1.6110   3.5240   1.6040 0.4241000 2.273000 
1 1 1  -54   16   24 o   8.5010   1.0430   8.8250   1.3880   8.1770   1.5580 0.6476000 2.087000 
1 1 1  -54   16   25 o   2.4460   0.8639   2.3480   1.1780   2.5430   1.2640 -0.1954000 1.728000 
1 1 1  -54   16   26 o   3.2390   1.0730   3.2810   1.5290   3.1960   1.5070 0.8536000E-01 2.147000 
1 1 1  -54   18    1 o   3.8700   1.0770   4.4660   1.5940   3.2750   1.4500 1.191000 2.155000 
1 1 1  -54   18    2 o   3.5450   1.0940   3.0210   1.4020   4.0690   1.6800 -1.048000 2.188000 
1 1 1  -54   18    3 o   3.1950   1.0520   3.1890   1.5010   3.2010   1.4760 -0.1241000E-01 2.105000 
1 1 1  -54   18    4 o   4.4470   1.2320   4.5030   1.7700   4.3900   1.7160 0.1130000 2.465000 
1 1 1  -54   18    5 o   9.8610   0.8835   9.9870   1.2570   9.7340   1.2420 0.2533000 1.767000 
1 1 1  -54   18    6 o   6.4600   1.1370   5.9040   1.6490   7.0170   1.5660 -1.114000 2.274000 
1 1 1  -54   18    7 o   3.8390   1.1340   4.0700   1.6350   3.6080   1.5720 0.4624000 2.268000 
1 1 1  -54   18    8 o   11.660   0.6761   11.870   0.8977   11.450   1.0110 0.4234000 1.352000 
1 1 1  -54   18    9 o   7.0400   1.1930   5.2800   1.9790   8.8000   1.3340 -3.521000 2.386000 
1 1 1  -54   18   10 o   3.7660   1.1690   3.9030   1.7040   3.6300   1.6020 0.2729000 2.339000 
1 1 1  -54   18   11 o   3.3960   1.0730   3.6920   1.5800   3.1010   1.4510 0.5905000 2.145000 
1 1 1  -54   18   12 o   5.0070   1.1940   5.7780   1.6760   4.2360   1.7010 1.543000 2.388000 
1 1 1  -54   18   13 o   4.1560   1.1230   4.3440   1.5600   3.9670   1.6140 0.3773000 2.245000 
1 1 1  -54   18   14 o   5.7350   1.1160   6.1690   1.4730   5.3000   1.6760 0.8691000 2.231000 
1 1 1  -54   18   15 o   11.520   0.6249   11.440   0.8617   11.610   0.9053 -0.1670000 1.250000 
1 1 1  -54   18   16 f   8.2730   0.9161   7.3910   1.3540   9.1560   1.2340 -1.765000 1.832000 
1 1 1  -54   18   17 o   9.0250   0.8328   8.4620   1.1900   9.5890   1.1650 -1.127000 1.666000 
1 1 1  -54   18   18 o   16.080   0.5039   16.290   0.6841   15.860   0.7401 0.4351000 1.008000 
1 1 1  -54   18   19 o   12.440   0.6370   12.900   0.8389   11.970   0.9587 0.9340000 1.274000 
1 1 1  -54   18   20 o   11.440   0.7095   12.790   0.8535   10.090   1.1340 2.698000 1.419000 
1 1 1  -54   18   21 o   7.2670   1.0880   7.7200   1.4290   6.8130   1.6430 0.9065000 2.177000 
1 1 1  -54   18   22 o   3.5970   1.1660   3.6780   1.6480   3.5170   1.6510 0.1605000 2.332000 
1 1 1  -54   18   23 o   2.8560   0.9995   2.7260   1.3620   2.9860   1.4640 -0.2607000 1.999000 
1 1 1  -54   18   24 o   2.6740   0.9122   2.3280   1.1590   3.0200   1.4090 -0.6917000 1.824000 
1 1 1  -54   18   25 o   1.2500   0.6527   1.2500   0.6527  ?   ?       ?      ? 
1 1 1  -54   20    1 o   6.1040   1.1090   7.3360   1.4030   4.8720   1.7180 2.463000 2.219000 
1 1 1  -54   20    2 o   7.4520   0.9835   8.1420   1.2650   6.7630   1.5060 1.379000 1.967000 
1 1 1  -54   20    3 o   6.1810   1.0990   7.0690   1.4620   5.2930   1.6420 1.776000 2.198000 
1 1 1  -54   20    4 o   4.8790   1.1780   5.3620   1.6560   4.3960   1.6750 0.9663000 2.355000 
1 1 1  -54   20    5 o   6.6320   1.0780   8.1260   1.2330   5.1380   1.7680 2.988000 2.156000 
1 1 1  -54   20    6 f   4.0100   1.1320   3.8900   1.5820   4.1310   1.6200 -0.2412000 2.264000 
1 1 1  -54   20    7 o   5.5830   1.1460   6.2070   1.5760   4.9590   1.6640 1.249000 2.292000 
1 1 1  -54   20    8 o   6.5310   1.1270   6.2290   1.6610   6.8340   1.5230 -0.6050000 2.254000 
1 1 1  -54   20    9 o   14.410   0.5820   13.890   0.9163   14.930   0.7178 -1.042000 1.164000 
1 1 1  -54   20   10 o   4.3260   1.2130   4.9690   1.8480   3.6830   1.5710 1.285000 2.425000 
1 1 1  -54   20   11 o   15.170   0.5483   15.630   0.8145   14.710   0.7344 0.9200000 1.097000 
1 1 1  -54   20   12 o   4.8740   1.2550   4.7760   1.8340   4.9710   1.7140 -0.1956000 2.510000 
1 1 1  -54   20   13 o   4.8060   1.0120   2.5740   1.2750   7.0370   1.5720 -4.463000 2.024000 
1 1 1  -54   20   14 o   4.4430   1.1220   6.0260   1.7860   2.8590   1.3570 3.167000 2.243000 
1 1 1  -54   20   15 o   2.3730   0.8281   2.3840   1.1730   2.3620   1.1690 0.2149000E-01 1.656000 
1 1 1  -54   20   16 o   14.070   0.5479   14.050   0.7809   14.100   0.7688 -0.4231000E-01 1.096000 
1 1 1  -54   20   17 o   5.6140   1.0540   7.7220   1.4240   3.5060   1.5530 4.216000 2.107000 
1 1 1  -54   20   18 o   3.0550   1.0250   3.1920   1.4930   2.9170   1.4050 0.2747000 2.050000 
1 1 1  -54   20   19 o   5.3680   1.3000   6.0490   1.8340   4.6860   1.8430 1.364000 2.600000 
1 1 1  -54   20   20 o   2.6220   0.9068   2.5840   1.2600   2.6590   1.3040 -0.7483000E-01 1.814000 
1 1 1  -54   20   21 o   3.0380   1.0160   3.6220   1.6240   2.4530   1.2200 1.170000 2.031000 
1 1 1  -54   20   22 o   2.5470   0.8837   2.3610   1.1830   2.7340   1.3130 -0.3727000 1.767000 
1 1 1  -54   22    1 o   4.6140   1.1560   6.0600   1.7750   3.1680   1.4810 2.892000 2.312000 
1 1 1  -54   22    2 o   6.1530   1.1910   7.3040   1.6060   5.0030   1.7590 2.301000 2.382000 
1 1 1  -54   22    3 o   6.9440   1.1030   7.1520   1.5050   6.7370   1.6120 0.4142000 2.205000 
1 1 1  -54   22    4 o   10.210   0.7815   11.310   0.9559   9.1080   1.2370 2.203000 1.563000 
1 1 1  -54   22    5 o   6.0250   1.2570   5.4220   1.7650   6.6280   1.7900 -1.206000 2.514000 
1 1 1  -54   22    6 o   3.5760   1.1040   3.9740   1.6500   3.1780   1.4670 0.7955000 2.208000 
1 1 1  -54   22    7 o   6.8710   1.2430   5.8060   1.7180   7.9360   1.7980 -2.130000 2.487000 
1 1 1  -54   22    8 o   3.5390   1.1050   3.6310   1.5830   3.4460   1.5410 0.1855000 2.209000 
1 1 1  -54   22    9 o   3.1600   1.0310   3.3520   1.5050   2.9690   1.4090 0.3829000 2.062000 
1 1 1  -54   22   10 o   3.3590   1.0870   3.1510   1.4710   3.5670   1.6010 -0.4159000 2.174000 
1 1 1  -54   22   11 o   3.6400   1.1380   4.0100   1.6920   3.2710   1.5220 0.7385000 2.276000 
1 1 1  -54   22   12 o   3.6090   1.1000   2.6360   1.3080   4.5830   1.7690 -1.947000 2.200000 
1 1 1  -54   22   13 o   5.6460   1.3330   5.5450   1.9580   5.7480   1.8090 -0.2029000 2.666000 
1 1 1  -54   22   14 o   3.3940   1.1020   4.1410   1.7820   2.6480   1.2980 1.493000 2.205000 
1 1 1  -54   22   15 o   3.1430   1.0540   3.2810   1.5520   3.0060   1.4270 0.2747000 2.108000 
1 1 1  -54   22   16 o   2.8270   0.9552   2.4750   1.2420   3.1790   1.4510 -0.7042000 1.910000 
1 1 1  -54   22   17 o   3.2060   1.0470   2.9590   1.4350   3.4530   1.5250 -0.4935000 2.094000 
1 1 1  -54   22   18 o   2.1270   0.7636   2.1280   1.0800   2.1270   1.0800 0.1289000E-02 1.527000 
1 1 1  -54   22   19 o   6.0060   1.2410   7.1540   1.6890   4.8590   1.8170 2.295000 2.481000 
1 1 1  -54   24    1 o   4.3290   1.1880   3.7320   1.5960   4.9270   1.7590 -1.195000 2.375000 
1 1 1  -54   24    2 o   3.2300   1.0270   2.4650   1.2140   3.9960   1.6560 -1.530000 2.054000 
1 1 1  -54   24    3 o   5.0030   1.2370   4.2830   1.6800   5.7230   1.8160 -1.440000 2.474000 
1 1 1  -54   24    4 o   3.9480   1.1630   4.2370   1.6890   3.6590   1.5980 0.5782000 2.325000 
1 1 1  -54   24    5 o   4.1470   1.1790   4.8100   1.7450   3.4840   1.5860 1.325000 2.358000 
1 1 1  -54   24    6 o   7.3820   1.0870   7.0840   1.5750   7.6800   1.4990 -0.5964000 2.174000 
1 1 1  -54   24    7 o   7.5250   1.0630   8.4340   1.3290   6.6150   1.6590 1.820000 2.126000 
1 1 1  -54   24    8 o   5.2820   1.2370   5.4540   1.7420   5.1100   1.7570 0.3446000 2.474000 
1 1 1  -54   24    9 o   4.2090   1.0960   5.6240   1.7380   2.7940   1.3350 2.830000 2.191000 
1 1 1  -54   24   10 o   2.4250   0.8453   2.6250   1.2740   2.2240   1.1120 0.4009000 1.691000 
1 1 1  -54   24   11 o   2.7640   0.9352   2.8000   1.3360   2.7280   1.3100 0.7214000E-01 1.870000 
1 1 1  -54   24   12 f   5.0890   1.2040   4.7930   1.7020   5.3840   1.7030 -0.5911000 2.408000 
1 1 1  -54   24   13 o   3.9680   1.1430   3.6960   1.5760   4.2410   1.6560 -0.5450000 2.286000 
1 1 1  -54   24   14 o   4.2580   1.1580   4.8750   1.7140   3.6410   1.5590 1.233000 2.317000 
1 1 1  -54   24   15 o   2.5270   0.8873   2.3610   1.1840   2.6940   1.3220 -0.3326000 1.775000 
1 1 1  -54   26    1 o   2.3590   0.8534   2.5070   1.2700   2.2110   1.1400 0.2962000 1.707000 
1 1 1  -54   26    2 o   2.5290   0.8833   2.5070   1.2550   2.5510   1.2430 -0.4481000E-01 1.767000 
1 1 1  -54   26    3 o   2.6240   0.9241   3.0230   1.4500   2.2260   1.1460 0.7969000 1.848000 
1 1 1  -54   26    4 o   2.7930   0.9691   2.7430   1.3490   2.8420   1.3920 -0.9953000E-01 1.938000 
1 1 1  -54   26    5 o   2.8900   0.9907   3.5490   1.6200   2.2320   1.1400 1.317000 1.981000 
1 1 1  -54   26    6 o   2.5120   0.8869   2.6010   1.2890   2.4230   1.2190 0.1779000 1.774000 
1 1 1  -54   26    7 o   2.2490   0.8051   2.3690   1.1910   2.1280   1.0840 0.2410000 1.610000 
1 1 1  -54   26    8 o   2.3610   0.8403   2.3070   1.1640   2.4150   1.2120 -0.1084000 1.681000 
1 1 1  -54   26    9 o   2.3550   1.2170   2.3550   1.2170  ?   ?       ?      ? 
1 1 1  -53    1    1 o   7.4740   0.8954   6.4190   1.5080   8.5300   0.9651 -2.111000 1.791000 
1 1 1  -53    1    2 o   6.8740   0.8188   7.4160   1.0960   6.3330   1.2170 1.084000 1.638000 
1 1 1  -53    1    3 o   8.0410   0.6948   8.0700   0.9922   8.0110   0.9728 0.5934000E-01 1.390000 
1 1 1  -53    1    4 o   20.970   0.2946   20.770   0.4263   21.160   0.4068 -0.3902000 0.5893000 
1 1 1  -53    1    5 o   11.610   0.4938   11.530   0.7989   11.690   0.5807 -0.1650000 0.9877000 
1 1 1  -53    1    6 o   12.630   0.5031   12.890   0.6930   12.360   0.7295 0.5275000 1.006000 
1 1 1  -53    1    7 o   16.220   0.3994   16.450   0.5544   15.990   0.5750 0.4589000 0.7988000 
1 1 1  -53    1    8 o   3.3960   0.9734   3.5540   1.4680   3.2390   1.2790 0.3144000 1.947000 
1 1 1  -53    1    9 o   12.130   0.3839   13.030   0.5482   11.240   0.5375 1.791000 0.7677000 
1 1 1  -53    1   10 o   21.910   0.2480   22.160   0.3509   21.660   0.3505 0.5008000 0.4959000 
1 1 1  -53    1   11 o   8.8930   0.4868   8.4550   0.7420   9.3320   0.6305 -0.8770000 0.9736000 
1 1 1  -53    1   12 o   27.240   0.2794   27.570   0.3973   26.920   0.3929 0.6517000 0.5588000 
1 1 1  -53    1   13 o   15.080   0.3544   15.770   0.4914   14.380   0.5107 1.397000 0.7088000 
1 1 1  -53    1   14 o   4.1410   1.0040   3.6380   1.4260   4.6440   1.4140 -1.006000 2.008000 
1 1 1  -53    1   15 o   20.860   0.3136   20.860   0.4504   20.860   0.4365 0.1373000E-03 0.6272000 
1 1 1  -53    1   16 o   21.650   0.2768   21.030   0.3960   22.280   0.3868 -1.246000 0.5535000 
1 1 1  -53    1   17 o   22.240   0.2764   22.850   0.3882   21.620   0.3936 1.229000 0.5528000 
1 1 1  -53    1   18 o   19.840   0.2963   19.830   0.4218   19.840   0.4162 -0.1382000E-01 0.5926000 
1 1 1  -53    1   19 o   22.110   0.2887   22.620   0.4088   21.590   0.4078 1.031000 0.5774000 
1 1 1  -53    1   20 o   4.9880   0.9928   5.5090   1.3600   4.4670   1.4470 1.042000 1.986000 
1 1 1  -53    1   21 o   10.930   0.5066   11.200   0.6861   10.660   0.7456 0.5467000 1.013000 
1 1 1  -53    1   22 o   10.630   0.6049   10.650   0.9370   10.600   0.7652 0.4801000E-01 1.210000 
1 1 1  -53    1   23 o   5.5510   1.2170   5.9710   1.6530   5.1300   1.7880 0.8412000 2.435000 
1 1 1  -53    1   24 o   13.440   0.5438   13.950   0.7065   12.930   0.8270 1.022000 1.088000 
1 1 1  -53    1   25 o   17.190   0.4095   17.020   0.5812   17.360   0.5771 -0.3343000 0.8190000 
1 1 1  -53    1   26 o   9.9470   0.7042   9.5190   1.0500   10.380   0.9385 -0.8565000 1.408000 
1 1 1  -53    1   27 o   3.5790   1.0850   3.4040   1.4960   3.7540   1.5730 -0.3504000 2.171000 
1 1 1  -53    1   28 f   8.6760   1.3200   7.1810   2.0840   10.170   1.6210 -2.990000 2.640000 
1 1 1  -53    1   29 o   5.5180   1.3270   5.3940   1.8870   5.6430   1.8670 -0.2495000 2.655000 
1 1 1  -53    1   30 o   13.470   0.5800   14.020   0.7632   12.920   0.8736 1.098000 1.160000 
1 1 1  -53    1   31 o   5.8070   1.1830   4.9410   1.7200   6.6730   1.6240 -1.732000 2.366000 
1 1 1  -53    1   32 o   2.5860   0.8903   2.6100   1.2690   2.5630   1.2490 0.4700000E-01 1.781000 
1 1 1  -53    3    1 o   9.6990   0.5358   9.0660   0.8541   10.330   0.6471 -1.265000 1.072000 
1 1 1  -53    3    2 o   19.250   0.3395   19.770   0.4845   18.740   0.4758 1.029000 0.6790000 
1 1 1  -53    3    3 f   16.480   0.3136   16.040   0.4213   16.920   0.4646 -0.8868000 0.6272000 
1 1 1  -53    3    4 o   18.030   0.5096   18.960   0.9565   17.110   0.3520 1.849000 1.019000 
1 1 1  -53    3    5 o   6.5570   1.4950   7.8010   2.0330   5.3120   2.1910 2.489000 2.989000 
1 1 1  -53    3    6 o   6.6940   1.4490   4.8920   1.9850   8.4960   2.1120 -3.604000 2.898000 
1 1 1  -53    3    7 o   13.430   0.8777   14.160   1.0820   12.700   1.3820 1.464000 1.755000 
1 1 1  -53    3    8 o   22.550   0.5821   21.970   0.7891   23.140   0.8559 -1.174000 1.164000 
1 1 1  -53    3    9 o   32.410   0.4286   31.900   0.7595   32.910   0.3973 -1.013000 0.8571000 
1 1 1  -53    3   10 o   9.4830   0.5072   8.5500   0.6798   10.420   0.7530 -1.866000 1.014000 
1 1 1  -53    3   11 o   30.130   0.3007   29.790   0.4188   30.470   0.4315 -0.6770000 0.6013000 
1 1 1  -53    3   12 o   34.800   0.2687   34.600   0.3806   34.990   0.3795 -0.3822000 0.5375000 
1 1 1  -53    3   13 o   18.880   0.2845   18.930   0.4106   18.830   0.3939 0.9888000E-01 0.5690000 
1 1 1  -53    3   14 o   8.1250   0.5969   7.9640   0.8902   8.2870   0.7953 -0.3232000 1.194000 
1 1 1  -53    3   15 o   18.000   0.3048   17.650   0.4519   18.350   0.4091 -0.6946000 0.6096000 
1 1 1  -53    3   16 f   20.920   0.3370   20.620   0.4967   21.220   0.4556 -0.5981000 0.6740000 
1 1 1  -53    3   17 o   22.510   0.2787   22.580   0.3958   22.450   0.3925 0.1372000 0.5574000 
1 1 1  -53    3   18 o   15.260   0.3785   14.640   0.5285   15.870   0.5418 -1.235000 0.7569000 
1 1 1  -53    3   19 o   12.040   0.4491   11.870   0.6435   12.220   0.6268 -0.3483000 0.8983000 
1 1 1  -53    3   20 o   23.710   0.2923   23.510   0.4206   23.900   0.4060 -0.3867000 0.5846000 
1 1 1  -53    3   21 o   19.790   0.3843   19.530   0.5737   20.060   0.5114 -0.5258000 0.7686000 
1 1 1  -53    3   22 o   16.990   0.4368   17.090   0.6360   16.880   0.5990 0.2149000 0.8736000 
1 1 1  -53    3   23 o   11.900   0.5160   13.130   0.6542   10.680   0.7983 2.454000 1.032000 
1 1 1  -53    3   24 o   11.700   0.6177   11.770   0.8191   11.630   0.9249 0.1345000 1.235000 
1 1 1  -53    3   25 o   3.1460   0.9982   3.7360   1.5570   2.5550   1.2500 1.180000 1.996000 
1 1 1  -53    3   26 o   10.750   0.6527   10.740   0.9070   10.770   0.9389 -0.3480000E-01 1.305000 
1 1 1  -53    3   27 o   19.790   0.4723   19.950   0.6305   19.630   0.7034 0.3288000 0.9446000 
1 1 1  -53    3   28 o   16.580   0.4816   16.670   0.6677   16.500   0.6941 0.1705000 0.9631000 
1 1 1  -53    3   29 o   11.760   0.8046   12.980   1.0180   10.540   1.2460 2.442000 1.609000 
1 1 1  -53    3   30 o   5.8430   1.1170   4.1680   1.6700   7.5180   1.4830 -3.349000 2.233000 
1 1 1  -53    3   31 o   4.5150   1.2210   4.3310   1.6910   4.6990   1.7600 -0.3674000 2.441000 
1 1 1  -53    3   32 o   2.3370   0.8211   2.1880   1.0970   2.4860   1.2220 -0.2974000 1.642000 
1 1 1  -53    5    1 o   23.670   0.3161   23.760   0.4418   23.580   0.4520 0.1732000 0.6321000 
1 1 1  -53    5    2 o   11.050   0.6738   11.340   1.2330   10.770   0.5447 0.5730000 1.348000 
1 1 1  -53    5    3 o   6.6850   1.3550   4.7190   1.8720   8.6510   1.9600 -3.932000 2.710000 
1 1 1  -53    5    4 o   21.130   0.5538   20.500   0.7349   21.770   0.8288 -1.265000 1.108000 
1 1 1  -53    5    5 f   19.640   0.5756   19.680   0.7339   19.610   0.8869 0.7059000E-01 1.151000 
1 1 1  -53    5    6 o   23.950   0.4949   24.100   0.6394   23.800   0.7556 0.2950000 0.9898000 
1 1 1  -53    5    7 f   14.840   0.8072   14.920   0.8783   14.760   1.3550 0.1587000 1.614000 
1 1 1  -53    5    8 o   20.880   0.4705   20.840   0.6532   20.920   0.6773 -0.8023000E-01 0.9410000 
1 1 1  -53    5    9 o   18.550   0.5010   18.300   0.7023   18.800   0.7146 -0.4993000 1.002000 
1 1 1  -53    5   10 o   33.200   0.4132   33.130   0.5784   33.260   0.5903 -0.1287000 0.8265000 
1 1 1  -53    5   11 o   28.920   0.4102   29.020   0.5740   28.820   0.5862 0.1996000 0.8204000 
1 1 1  -53    5   12 o   40.600   0.3204   40.770   0.4156   40.430   0.4877 0.3398000 0.6408000 
1 1 1  -53    5   13 o   32.170   0.2880   32.450   0.4375   31.890   0.3746 0.5667000 0.5759000 
1 1 1  -53    5   14 o   17.410   0.3109   17.380   0.4487   17.450   0.4304 -0.6784000E-01 0.6217000 
1 1 1  -53    5   15 o   19.260   0.3029   18.960   0.4456   19.570   0.4105 -0.6164000 0.6059000 
1 1 1  -53    5   16 o   3.8950   0.9882   4.3070   1.4330   3.4830   1.3610 0.8243000 1.976000 
1 1 1  -53    5   17 o   7.1000   0.9520   6.4940   1.4850   7.7060   1.1920 -1.212000 1.904000 
1 1 1  -53    5   18 o   9.3680   0.5730   9.6670   0.7877   9.0690   0.8323 0.5975000 1.146000 
1 1 1  -53    5   19 o   9.8030   0.6656   9.0650   1.0490   10.540   0.8192 -1.474000 1.331000 
1 1 1  -53    5   20 o   22.250   0.3512   22.300   0.5100   22.200   0.4830 0.9340000E-01 0.7024000 
1 1 1  -53    5   21 o   6.1830   0.9407   5.7290   1.3740   6.6370   1.2850 -0.9088000 1.881000 
1 1 1  -53    5   22 o   8.6000   0.7000   7.6460   1.0710   9.5540   0.9020 -1.907000 1.400000 
1 1 1  -53    5   23 f   9.5980   0.6438   9.1260   0.9243   10.070   0.8966 -0.9435000 1.288000 
1 1 1  -53    5   24 o   11.150   0.5913   11.060   0.8428   11.230   0.8295 -0.1727000 1.183000 
1 1 1  -53    5   25 f   25.760   0.4500   25.990   0.6012   25.530   0.6698 0.4569000 0.9000000 
1 1 1  -53    5   26 o   18.610   0.4676   18.840   0.6302   18.370   0.6910 0.4759000 0.9352000 
1 1 1  -53    5   27 o   6.5510   1.0300   4.3880   1.6550   8.7140   1.2250 -4.326000 2.059000 
1 1 1  -53    5   28 o   4.1000   1.1520   4.7650   1.7190   3.4340   1.5330 1.331000 2.303000 
1 1 1  -53    5   29 o   3.6770   1.1640   3.9440   1.7050   3.4110   1.5840 0.5336000 2.327000 
1 1 1  -53    5   30 o   3.9840   1.2010   3.2370   1.5130   4.7310   1.8640 -1.494000 2.401000 
1 1 1  -53    5   31 o   7.3600   1.0480   7.3790   1.4320   7.3400   1.5320 0.3943000E-01 2.096000 
1 1 1  -53    5   32 o   2.5350   0.8725   2.8740   1.3540   2.1970   1.1010 0.6773000 1.745000 
1 1 1  -53    7    1 o   6.4750   0.7512   6.5670   1.1670   6.3840   0.9469 0.1823000 1.502000 
1 1 1  -53    7    2 o   7.0940   1.4150   5.2920   1.9920   8.8950   2.0090 -3.604000 2.830000 
1 1 1  -53    7    3 o   14.550   0.8114   14.990   0.9745   14.110   1.2980 0.8764000 1.623000 
1 1 1  -53    7    4 o   19.440   0.6271   19.840   0.7821   19.040   0.9805 0.7964000 1.254000 
1 1 1  -53    7    5 o   19.530   0.6079   19.720   0.7702   19.350   0.9407 0.3655000 1.216000 
1 1 1  -53    7    6 o   20.420   0.5734   20.980   0.7127   19.870   0.8984 1.106000 1.147000 
1 1 1  -53    7    7 o   16.610   0.6071   16.570   0.8207   16.650   0.8948 -0.8809000E-01 1.214000 
1 1 1  -53    7    8 o   13.200   0.9936   13.200   0.9936  ?   ?       ?      ? 
1 1 1  -53    7    9 o   16.190   0.5963   16.790   0.7752   15.590   0.9064 1.197000 1.193000 
1 1 1  -53    7   10 o   16.020   0.6035   15.900   0.8163   16.140   0.8891 -0.2359000 1.207000 
1 1 1  -53    7   11 o   46.340   0.4825   45.910   0.6745   46.760   0.6901 -0.8442000 0.9650000 
1 1 1  -53    7   12 o   13.310   0.5552   13.760   0.9143   12.860   0.6301 0.8993000 1.110000 
1 1 1  -53    7   13 o   30.640   0.3082   30.570   0.4314   30.700   0.4403 -0.1323000 0.6164000 
1 1 1  -53    7   14 o   17.730   0.3090   17.850   0.4377   17.600   0.4364 0.2487000 0.6181000 
1 1 1  -53    7   15 o   2.9370   0.8772   3.5460   1.3620   2.3280   1.1060 1.218000 1.754000 
1 1 1  -53    7   16 o   4.6470   0.9445   3.5210   1.3930   5.7730   1.2750 -2.253000 1.889000 
1 1 1  -53    7   17 o   16.950   0.5962   17.190   0.9209   16.710   0.7577 0.4741000 1.192000 
1 1 1  -53    7   18 o   14.450   0.4594   14.300   0.6764   14.610   0.6218 -0.3058000 0.9187000 
1 1 1  -53    7   19 o   28.980   0.2909   28.580   0.4170   29.390   0.4059 -0.8081000 0.5819000 
1 1 1  -53    7   20 o   8.3900   0.7233   7.2170   1.1510   9.5630   0.8758 -2.347000 1.447000 
1 1 1  -53    7   21 o   4.8740   1.0920   4.7810   1.5340   4.9660   1.5530 -0.1849000 2.183000 
1 1 1  -53    7   22 o   18.760   0.3675   19.000   0.5087   18.520   0.5305 0.4803000 0.7350000 
1 1 1  -53    7   23 o   22.730   0.3394   23.240   0.4691   22.230   0.4907 1.014000 0.6789000 
1 1 1  -53    7   24 o   12.410   0.6139   13.180   0.7672   11.630   0.9586 1.549000 1.228000 
1 1 1  -53    7   25 o   10.850   0.7127   10.520   0.9673   11.180   1.0470 -0.6640000 1.425000 
1 1 1  -53    7   26 o   8.9180   0.8160   8.1080   1.2110   9.7270   1.0940 -1.618000 1.632000 
1 1 1  -53    7   27 o   8.6370   0.9245   5.9930   1.5910   11.280   0.9429 -5.289000 1.849000 
1 1 1  -53    7   28 o   10.780   0.7393   9.3200   1.1500   12.230   0.9291 -2.913000 1.479000 
1 1 1  -53    7   29 o   5.4140   1.2390   5.3310   1.7220   5.4970   1.7820 -0.1659000 2.478000 
1 1 1  -53    7   30 o   3.3040   1.0930   3.0650   1.4600   3.5430   1.6250 -0.4788000 2.185000 
1 1 1  -53    7   31 o   2.2100   0.7816   2.3580   1.1640   2.0620   1.0430 0.2966000 1.563000 
1 1 1  -53    9    1 o   14.760   0.6067   13.670   1.1190   15.840   0.4682 -2.168000 1.213000 
1 1 1  -53    9    2 o   24.510   0.5542   24.830   0.7082   24.190   0.8528 0.6355000 1.108000 
1 1 1  -53    9    3 o   14.510   0.8467   15.180   1.0050   13.840   1.3630 1.341000 1.693000 
1 1 1  -53    9    4 o   12.150   1.0100   13.230   1.1290   11.070   1.6760 2.158000 2.021000 
1 1 1  -53    9    5 o   17.580   0.6791   16.520   0.9035   18.640   1.0140 -2.116000 1.358000 
1 1 1  -53    9    6 o   17.580   0.8331   19.140   0.8078   16.020   1.4570 3.122000 1.666000 
1 1 1  -53    9    7 f   22.760   0.5153   23.290   0.6948   22.230   0.7612 1.060000 1.031000 
1 1 1  -53    9    8 o   32.900   0.4502   33.270   0.6241   32.520   0.6490 0.7472000 0.9004000 
1 1 1  -53    9    9 o   14.570   0.6988   15.580   0.8843   13.550   1.0820 2.034000 1.398000 
1 1 1  -53    9   10 o   26.840   0.4566   27.030   0.6250   26.660   0.6657 0.3727000 0.9131000 
1 1 1  -53    9   11 o   5.7520   1.3740   5.7430   1.9050   5.7600   1.9800 -0.1730000E-01 2.748000 
1 1 1  -53    9   12 o   6.3110   1.3430   6.5280   1.8510   6.0930   1.9470 0.4355000 2.687000 
1 1 1  -53    9   13 o   33.770   0.3847   33.770   0.5470   33.770   0.5411 0.7584000E-02 0.7694000 
1 1 1  -53    9   14 o   10.160   0.5252   10.070   0.7525   10.250   0.7328 -0.1774000 1.050000 
1 1 1  -53    9   15 o   15.110   0.4028   15.060   0.5792   15.170   0.5600 -0.1140000 0.8056000 
1 1 1  -53    9   16 o   13.740   0.4004   13.820   0.5639   13.650   0.5687 0.1771000 0.8009000 
1 1 1  -53    9   17 o   8.1120   0.9793   8.4680   1.3700   7.7570   1.3990 0.7111000 1.959000 
1 1 1  -53    9   18 f   9.9480   0.7562   8.9860   1.3170   10.910   0.7429 -1.923000 1.512000 
1 1 1  -53    9   19 o   7.8960   0.7380   8.0000   1.0140   7.7920   1.0730 0.2073000 1.476000 
1 1 1  -53    9   20 o   16.230   0.3981   16.230   0.5531   16.240   0.5728 -0.5850000E-02 0.7962000 
1 1 1  -53    9   21 o   3.9200   1.0780   3.4050   1.4390   4.4350   1.6070 -1.030000 2.157000 
1 1 1  -53    9   22 o   13.490   0.5566   13.250   0.7625   13.720   0.8110 -0.4739000 1.113000 
1 1 1  -53    9   23 o   17.700   0.4084   17.270   0.5682   18.130   0.5867 -0.8544000 0.8167000 
1 1 1  -53    9   24 o   9.5390   0.7251   9.8210   0.9529   9.2580   1.0930 0.5633000 1.450000 
1 1 1  -53    9   25 o   18.680   0.4634   18.490   0.6238   18.880   0.6855 -0.3866000 0.9269000 
1 1 1  -53    9   26 o   5.9510   1.1770   5.8350   1.6320   6.0660   1.6960 -0.2305000 2.354000 
1 1 1  -53    9   27 o   5.5410   1.1220   3.9000   1.6060   7.1820   1.5660 -3.282000 2.243000 
1 1 1  -53    9   28 o   8.5890   0.8989   8.9810   1.1430   8.1960   1.3870 0.7847000 1.798000 
1 1 1  -53    9   29 o   3.5500   1.0970   3.7000   1.5710   3.4000   1.5330 0.2999000 2.195000 
1 1 1  -53    9   30 o   4.7730   1.2600   5.8340   1.8880   3.7120   1.6690 2.122000 2.519000 
1 1 1  -53    9   31 o   2.9480   1.0100   3.0100   1.4390   2.8860   1.4190 0.1236000 2.021000 
1 1 1  -53   11    1 o   17.250   0.4483   17.130   0.6426   17.370   0.6252 -0.2411000 0.8966000 
1 1 1  -53   11    2 o   8.7310   1.0890   7.1600   2.0850   10.300   0.6255 -3.141000 2.177000 
1 1 1  -53   11    3 o   13.750   1.3540   12.760   1.8240   14.740   2.0000 -1.984000 2.707000 
1 1 1  -53   11    4 o   5.2050   1.6580   4.9160   2.2170   5.4930   2.4650 -0.5777000 3.315000 
1 1 1  -53   11    5 o   8.6520   1.7700   10.370   2.2620   6.9340   2.7240 3.435000 3.541000 
1 1 1  -53   11    6 o   17.430   0.9585   17.340   1.4260   17.520   1.2810 -0.1734000 1.917000 
1 1 1  -53   11    7 o   9.8020   1.5000   12.900   1.8510   6.7060   2.3610 6.193000 3.001000 
1 1 1  -53   11    8 o   7.9400   1.7370   8.1800   2.5070   7.7000   2.4050 0.4802000 3.474000 
1 1 1  -53   11    9 o   5.5930   1.6330   5.7030   2.3510   5.4820   2.2680 0.2212000 3.266000 
1 1 1  -53   11   10 o   12.550   1.0090   11.820   1.1970   13.270   1.6250 -1.450000 2.019000 
1 1 1  -53   11   11 o   17.900   0.6042   18.000   0.8377   17.810   0.8708 0.1860000 1.208000 
1 1 1  -53   11   12 o   23.960   0.2799   24.210   0.3406   23.700   0.4442 0.5079000 0.5598000 
1 1 1  -53   11   13 o   17.350   0.3436   17.440   0.4602   17.250   0.5103 0.1875000 0.6871000 
1 1 1  -53   11   14 o   26.660   0.2722   26.890   0.3736   26.430   0.3958 0.4577000 0.5443000 
1 1 1  -53   11   15 o   10.720   0.5018   10.900   0.6736   10.550   0.7440 0.3517000 1.004000 
1 1 1  -53   11   16 o   11.140   0.5073   11.110   0.6950   11.170   0.7393 -0.6315000E-01 1.015000 
1 1 1  -53   11   17 o   6.2200   1.2230   7.1030   1.6650   5.3370   1.7930 1.766000 2.447000 
1 1 1  -53   11   18 o   13.970   0.4428   14.260   0.5906   13.680   0.6598 0.5835000 0.8855000 
1 1 1  -53   11   19 o   13.740   0.4938   13.550   0.6641   13.920   0.7310 -0.3749000 0.9876000 
1 1 1  -53   11   20 o   4.4750   1.1400   3.7090   1.5140   5.2420   1.7050 -1.534000 2.280000 
1 1 1  -53   11   21 o   10.960   0.6111   11.150   0.8086   10.770   0.9164 0.3816000 1.222000 
1 1 1  -53   11   22 o   2.9730   0.9484   3.5980   1.5030   2.3480   1.1570 1.251000 1.897000 
1 1 1  -53   11   23 o   10.220   0.6972   9.9680   0.9613   10.460   1.0100 -0.4963000 1.394000 
1 1 1  -53   11   24 o   3.6730   1.0930   3.9660   1.5770   3.3800   1.5150 0.5857000 2.187000 
1 1 1  -53   11   25 o   7.9710   1.0980   8.6800   1.2680   7.2620   1.7920 1.418000 2.195000 
1 1 1  -53   11   26 o   8.5610   0.8897   8.3550   1.2380   8.7660   1.2780 -0.4111000 1.779000 
1 1 1  -53   11   27 f   13.290   0.5938   13.830   0.7824   12.750   0.8935 1.086000 1.188000 
1 1 1  -53   11   28 o   3.3010   1.0480   3.4610   1.5100   3.1400   1.4540 0.3209000 2.096000 
1 1 1  -53   11   29 o   3.1970   1.0650   2.6650   1.3110   3.7290   1.6780 -1.064000 2.129000 
1 1 1  -53   11   30 o   2.1380   0.7765   2.3410   1.1890   1.9360   0.9988 0.4049000 1.553000 
1 1 1  -53   13    1 o   14.490   0.4091   14.510   0.5888   14.460   0.5683 0.5001000E-01 0.8183000 
1 1 1  -53   13    2 o   5.1500   1.1390   5.3010   1.8280   4.9990   1.3610 0.3025000 2.279000 
1 1 1  -53   13    3 o   11.480   0.6327   10.470   0.8671   12.480   0.9216 -2.014000 1.265000 
1 1 1  -53   13    4 o   6.1580   0.9174   6.9450   0.7133   5.3710   1.6910 1.573000 1.835000 
1 1 1  -53   13    5 o   8.6790   0.9755   9.0430   1.8230   8.3150   0.6961 0.7278000 1.951000 
1 1 1  -53   13    6 f   13.420   0.8912   14.690   1.1380   12.160   1.3720 2.530000 1.782000 
1 1 1  -53   13    7 o   9.5000   1.1980   10.190   1.6020   8.8130   1.7820 1.372000 2.396000 
1 1 1  -53   13    8 o   30.650   0.4892   30.160   0.7007   31.140   0.6828 -0.9803000 0.9783000 
1 1 1  -53   13    9 o   19.050   0.4671   19.070   0.8653   19.030   0.3523 0.3687000E-01 0.9343000 
1 1 1  -53   13   10 o   15.870   0.3377   16.600   0.3432   15.130   0.5818 1.468000 0.6754000 
1 1 1  -53   13   11 o   19.060   0.3356   19.250   0.4339   18.880   0.5121 0.3713000 0.6712000 
1 1 1  -53   13   12 o   2.3350   0.7819   2.0360   0.9967   2.6340   1.2050 -0.5977000 1.564000 
1 1 1  -53   13   13 o   19.430   0.3073   19.600   0.4056   19.260   0.4618 0.3354000 0.6146000 
1 1 1  -53   13   14 o   25.720   0.2916   25.890   0.3963   25.550   0.4279 0.3440000 0.5832000 
1 1 1  -53   13   15 o   7.6920   0.8371   8.5700   0.8965   6.8140   1.4140 1.756000 1.674000 
1 1 1  -53   13   16 o   15.020   0.6914   15.140   0.9731   14.910   0.9825 0.2340000 1.383000 
1 1 1  -53   13   17 o   9.3920   0.7512   10.290   0.8909   8.4980   1.2100 1.787000 1.502000 
1 1 1  -53   13   18 o   7.8870   0.8220   7.1830   1.2380   8.5900   1.0810 -1.408000 1.644000 
1 1 1  -53   13   19 o   16.360   0.4321   16.150   0.5971   16.570   0.6246 -0.4204000 0.8641000 
1 1 1  -53   13   20 o   12.100   0.5761   12.530   0.7536   11.680   0.8716 0.8473000 1.152000 
1 1 1  -53   13   21 o   6.2060   1.0900   6.9440   1.3980   5.4680   1.6730 1.476000 2.180000 
1 1 1  -53   13   22 o   16.490   0.4605   16.680   0.6305   16.300   0.6713 0.3817000 0.9209000 
1 1 1  -53   13   23 f   3.9330   1.1480   4.0450   1.6280   3.8210   1.6190 0.2246000 2.296000 
1 1 1  -53   13   24 o   4.8870   1.1960   5.9250   1.6970   3.8500   1.6860 2.074000 2.392000 
1 1 1  -53   13   25 o   5.0280   1.2840   4.2780   1.7400   5.7780   1.8890 -1.500000 2.568000 
1 1 1  -53   13   26 o   4.5900   1.2190   4.8590   1.7220   4.3200   1.7260 0.5392000 2.438000 
1 1 1  -53   13   27 o   2.5830   0.8899   2.4980   1.2230   2.6690   1.2930 -0.1709000 1.780000 
1 1 1  -53   13   28 o   3.0910   1.0360   3.0960   1.4690   3.0850   1.4610 0.1170000E-01 2.072000 
1 1 1  -53   13   29 o   2.5490   0.9098   2.4730   1.2510   2.6240   1.3210 -0.1501000 1.820000 
1 1 1  -53   15    1 o   15.270   0.4479   15.330   0.6473   15.220   0.6192 0.1024000 0.8958000 
1 1 1  -53   15    2 o   15.700   0.4215   14.980   0.6238   16.420   0.5671 -1.441000 0.8431000 
1 1 1  -53   15    3 o   4.9930   0.9246   6.8560   1.1670   3.1300   1.4350 3.726000 1.849000 
1 1 1  -53   15    4 o   10.480   0.5618   11.320   0.6989   9.6430   0.8797 1.674000 1.124000 
1 1 1  -53   15    5 o   16.050   0.3809   16.230   0.5136   15.870   0.5627 0.3602000 0.7618000 
1 1 1  -53   15    6 o   6.4890   0.8420   6.9180   1.0530   6.0610   1.3140 0.8575000 1.684000 
1 1 1  -53   15    7 o   5.9390   1.1120   6.0340   1.7590   5.8430   1.3600 0.1911000 2.224000 
1 1 1  -53   15    8 o   15.080   0.3735   14.590   0.4961   15.580   0.5586 -0.9870000 0.7471000 
1 1 1  -53   15    9 o   6.9610   0.8075   6.7920   1.0460   7.1290   1.2300 -0.3372000 1.615000 
1 1 1  -53   15   10 o   17.820   0.3539   17.880   0.4581   17.750   0.5395 0.1330000 0.7077000 
1 1 1  -53   15   11 o   14.000   0.4190   14.010   0.5496   14.000   0.6326 0.1236000E-01 0.8380000 
1 1 1  -53   15   12 o   10.320   0.5856   10.420   0.7407   10.210   0.9072 0.2125000 1.171000 
1 1 1  -53   15   13 o   9.9070   0.6100   10.460   0.7162   9.3560   0.9876 1.101000 1.220000 
1 1 1  -53   15   14 o   9.4100   0.8424   9.2170   1.1450   9.6030   1.2360 -0.3863000 1.685000 
1 1 1  -53   15   15 o   6.5940   1.1950   6.4340   1.6420   6.7540   1.7370 -0.3204000 2.390000 
1 1 1  -53   15   16 o   2.9000   0.9424   2.9040   1.3130   2.8950   1.3530 0.9449000E-02 1.885000 
1 1 1  -53   15   17 o   3.3950   1.0570   3.4090   1.4960   3.3810   1.4950 0.2766000E-01 2.115000 
1 1 1  -53   15   18 o   11.030   0.6529   10.040   0.9750   12.020   0.8685 -1.979000 1.306000 
1 1 1  -53   15   19 o   13.280   0.5569   13.740   0.7429   12.820   0.8300 0.9254000 1.114000 
1 1 1  -53   15   20 o   11.880   0.6221   10.890   0.9208   12.860   0.8368 -1.962000 1.244000 
1 1 1  -53   15   21 o   7.1870   1.0480   6.6960   1.5090   7.6780   1.4540 -0.9825000 2.095000 
1 1 1  -53   15   22 o   5.3030   1.2130   5.8020   1.6670   4.8050   1.7630 0.9968000 2.426000 
1 1 1  -53   15   23 o   3.7840   1.1270   4.1410   1.6440   3.4270   1.5420 0.7139000 2.254000 
1 1 1  -53   15   24 o   11.260   0.8043   9.2530   1.2800   13.270   0.9743 -4.013000 1.609000 
1 1 1  -53   15   25 f   4.3720   1.1740   5.0890   1.7210   3.6550   1.5960 1.435000 2.347000 
1 1 1  -53   15   26 o   2.8580   0.9799   2.9960   1.4330   2.7200   1.3370 0.2757000 1.960000 
1 1 1  -53   15   27 o   2.5970   0.9115   2.5510   1.2680   2.6430   1.3090 -0.9185000E-01 1.823000 
1 1 1  -53   17    1 o   13.810   0.5625   13.160   0.7840   14.460   0.8068 -1.300000 1.125000 
1 1 1  -53   17    2 o   13.980   0.5516   13.800   0.7409   14.160   0.8175 -0.3627000 1.103000 
1 1 1  -53   17    3 o   5.5580   1.0910   6.4340   1.3220   4.6810   1.7360 1.753000 2.182000 
1 1 1  -53   17    4 o   7.8770   0.8407   9.0860   0.9054   6.6670   1.4170 2.419000 1.681000 
1 1 1  -53   17    5 o   10.680   0.5805   10.440   0.8330   10.930   0.8087 -0.4884000 1.161000 
1 1 1  -53   17    6 f   6.6710   0.9807   8.3120   1.1570   5.0290   1.5840 3.283000 1.961000 
1 1 1  -53   17    7 o   3.8980   1.0210   5.2170   1.6300   2.5800   1.2300 2.637000 2.042000 
1 1 1  -53   17    8 o   22.080   0.3667   22.470   0.5414   21.690   0.4947 0.7771000 0.7334000 
1 1 1  -53   17    9 o   7.3540   0.9611   6.8730   1.4550   7.8360   1.2560 -0.9633000 1.922000 
1 1 1  -53   17   10 o   2.8590   0.9458   3.1170   1.4220   2.6020   1.2480 0.5156000 1.892000 
1 1 1  -53   17   11 o   18.670   0.4354   18.640   0.5775   18.710   0.6518 -0.7768000E-01 0.8709000 
1 1 1  -53   17   12 o   4.7630   1.2820   4.8460   1.8740   4.6800   1.7500 0.1659000 2.564000 
1 1 1  -53   17   13 o   4.0190   1.1660   4.4750   1.7210   3.5630   1.5750 0.9127000 2.333000 
1 1 1  -53   17   14 o   10.530   0.6386   10.250   0.8821   10.820   0.9237 -0.5689000 1.277000 
1 1 1  -53   17   15 o   10.830   0.6799   11.960   0.7775   9.7070   1.1160 2.251000 1.360000 
1 1 1  -53   17   16 o   7.8800   0.9106   7.3610   1.2930   8.3980   1.2830 -1.037000 1.821000 
1 1 1  -53   17   17 o   4.5490   1.1280   5.5030   1.6190   3.5940   1.5710 1.909000 2.255000 
1 1 1  -53   17   18 o   16.450   0.4895   17.100   0.6229   15.800   0.7552 1.304000 0.9790000 
1 1 1  -53   17   19 o   14.580   0.5859   15.460   0.7947   13.690   0.8611 1.774000 1.172000 
1 1 1  -53   17   20 o   10.440   0.7692   11.390   0.9475   9.4910   1.2120 1.895000 1.538000 
1 1 1  -53   17   21 o   3.6610   1.1000   4.3050   1.6810   3.0170   1.4190 1.288000 2.200000 
1 1 1  -53   17   22 o   4.6470   1.2310   4.7190   1.7320   4.5750   1.7500 0.1438000 2.462000 
1 1 1  -53   17   23 o   7.0840   1.2460   5.1460   1.9970   9.0220   1.4900 -3.876000 2.491000 
1 1 1  -53   17   24 o   3.6410   1.1590   3.9360   1.7110   3.3460   1.5650 0.5906000 2.318000 
1 1 1  -53   17   25 o   5.0800   1.2930   4.9370   1.7510   5.2220   1.9020 -0.2853000 2.586000 
1 1 1  -53   17   26 o   2.2020   0.7814   2.0920   1.0580   2.3130   1.1500 -0.2209000 1.563000 
1 1 1  -53   19    1 o   4.3950   1.1080   5.3170   1.6110   3.4720   1.5210 1.845000 2.215000 
1 1 1  -53   19    2 o   6.9240   1.0100   8.1670   1.2130   5.6810   1.6150 2.486000 2.020000 
1 1 1  -53   19    3 o   4.8550   1.1410   4.9650   1.6040   4.7450   1.6250 0.2209000 2.283000 
1 1 1  -53   19    4 o   11.280   0.6180   11.680   0.7894   10.880   0.9510 0.8023000 1.236000 
1 1 1  -53   19    5 o   8.8770   0.7758   8.1210   1.1490   9.6330   1.0430 -1.512000 1.552000 
1 1 1  -53   19    6 o   5.3310   1.1880   6.1790   1.7130   4.4830   1.6460 1.696000 2.376000 
1 1 1  -53   19    7 o   11.020   0.6857   11.040   1.0460   11.000   0.8865 0.3848000E-01 1.371000 
1 1 1  -53   19    8 o   16.670   0.4759   16.490   0.7257   16.840   0.6159 -0.3469000 0.9518000 
1 1 1  -53   19    9 o   3.4050   1.0490   3.3230   1.4490   3.4860   1.5160 -0.1638000 2.097000 
1 1 1  -53   19   10 o   3.5290   1.0630   4.0900   1.6150   2.9680   1.3830 1.123000 2.126000 
1 1 1  -53   19   11 o   15.980   0.5015   15.430   0.7625   16.540   0.6517 -1.108000 1.003000 
1 1 1  -53   19   12 f   5.8910   1.2230   6.0010   1.7940   5.7810   1.6620 0.2201000 2.446000 
1 1 1  -53   19   13 o   5.8740   1.2430   6.2700   1.8110   5.4780   1.7030 0.7926000 2.486000 
1 1 1  -53   19   14 o   5.9080   1.2590   6.1940   1.8650   5.6210   1.6920 0.5725000 2.518000 
1 1 1  -53   19   15 o   4.7580   1.2720   5.0610   1.8900   4.4560   1.7040 0.6050000 2.545000 
1 1 1  -53   19   16 o   6.1610   1.2130   6.4220   1.7190   5.8990   1.7120 0.5232000 2.426000 
1 1 1  -53   19   17 o   9.0560   0.8486   8.9570   1.2040   9.1540   1.1960 -0.1967000 1.697000 
1 1 1  -53   19   18 o   7.3020   1.0940   7.0970   1.5420   7.5070   1.5510 -0.4094000 2.187000 
1 1 1  -53   19   19 o   2.3040   0.8133   2.2240   1.1150   2.3840   1.1850 -0.1593000 1.627000 
1 1 1  -53   19   20 o   5.3310   1.3160   5.2490   1.8250   5.4130   1.8970 -0.1644000 2.632000 
1 1 1  -53   19   21 o   2.6940   0.9507   2.8570   1.4080   2.5310   1.2780 0.3256000 1.901000 
1 1 1  -53   19   22 o   3.2940   1.1020   3.1910   1.5050   3.3980   1.6100 -0.2075000 2.204000 
1 1 1  -53   19   23 o   3.1240   1.0190   3.4290   1.5320   2.8190   1.3450 0.6096000 2.039000 
1 1 1  -53   19   24 o   2.1600   0.7689   2.0380   1.0330   2.2810   1.1390 -0.2429000 1.538000 
1 1 1  -53   21    1 o   4.9170   1.1970   4.2740   1.6680   5.5600   1.7170 -1.285000 2.393000 
1 1 1  -53   21    2 o   5.7470   1.1100   4.2500   1.6750   7.2440   1.4580 -2.994000 2.221000 
1 1 1  -53   21    3 o   9.8330   0.7615   9.5930   1.1220   10.070   1.0300 -0.4787000 1.523000 
1 1 1  -53   21    4 o   3.3140   1.0400   2.7040   1.2990   3.9230   1.6250 -1.219000 2.081000 
1 1 1  -53   21    5 o   3.5650   1.0940   3.4390   1.5260   3.6910   1.5690 -0.2522000 2.188000 
1 1 1  -53   21    6 o   12.140   0.6438   13.770   0.7835   10.510   1.0220 3.263000 1.288000 
1 1 1  -53   21    7 o   15.290   0.5091   15.540   0.7219   15.050   0.7180 0.4957000 1.018000 
1 1 1  -53   21    8 o   7.0030   1.0870   8.0230   1.3580   5.9830   1.6990 2.040000 2.175000 
1 1 1  -53   21    9 o   3.5890   1.0930   3.1700   1.4470   4.0070   1.6380 -0.8363000 2.186000 
1 1 1  -53   21   10 o   3.6760   1.1000   3.1010   1.4250   4.2520   1.6760 -1.152000 2.200000 
1 1 1  -53   21   11 o   9.7460   0.7783   10.060   1.0380   9.4280   1.1600 0.6357000 1.557000 
1 1 1  -53   21   12 o   2.6580   0.9051   2.3570   1.1640   2.9600   1.3860 -0.6028000 1.810000 
1 1 1  -53   21   13 o   5.4800   1.2090   5.6530   1.6700   5.3070   1.7480 0.3467000 2.417000 
1 1 1  -53   21   14 o   5.5470   1.2510   5.7280   1.7870   5.3660   1.7500 0.3624000 2.501000 
1 1 1  -53   21   15 o   8.1240   1.1570   9.2520   1.5090   6.9970   1.7540 2.255000 2.313000 
1 1 1  -53   21   16 o   3.4080   1.1010   2.8590   1.3990   3.9570   1.7000 -1.098000 2.202000 
1 1 1  -53   21   17 o   5.9700   1.3510   5.9980   1.9560   5.9420   1.8640 0.5608000E-01 2.702000 
1 1 1  -53   21   18 o   5.9970   1.3490   6.6970   1.9460   5.2980   1.8700 1.399000 2.699000 
1 1 1  -53   21   19 o   3.6950   1.1610   3.5970   1.6090   3.7920   1.6760 -0.1947000 2.323000 
1 1 1  -53   21   20 o   4.3240   1.2420   3.8870   1.6860   4.7610   1.8240 -0.8738000 2.484000 
1 1 1  -53   21   21 o   2.5950   0.8959   2.3250   1.1680   2.8660   1.3590 -0.5412000 1.792000 
1 1 1  -53   21   22 o   2.1960   1.1360  ?   ?    2.1960   1.1360      ?      ? 
1 1 1  -53   23    1 o   4.4450   1.2410   3.9850   1.6900   4.9060   1.8160 -0.9205000 2.481000 
1 1 1  -53   23    2 o   5.5150   1.2950   5.7370   1.8200   5.2920   1.8420 0.4458000 2.589000 
1 1 1  -53   23    3 f   4.2930   1.2350   4.2390   1.7350   4.3470   1.7580 -0.1085000 2.470000 
1 1 1  -53   23    4 o   5.2650   1.0830   7.5670   1.6340   2.9630   1.4220 4.604000 2.166000 
1 1 1  -53   23    5 o   6.5350   1.2430   7.8790   1.6300   5.1900   1.8760 2.688000 2.485000 
1 1 1  -53   23    6 o   6.0580   1.2840   5.2390   1.8370   6.8780   1.7960 -1.639000 2.569000 
1 1 1  -53   23    7 o   9.9980   0.8865   10.080   1.2300   9.9180   1.2770 0.1604000 1.773000 
1 1 1  -53   23    8 o   9.7260   0.9231   9.6530   1.3050   9.8000   1.3060 -0.1464000 1.846000 
1 1 1  -53   23    9 o   2.7920   0.9604   3.0380   1.4460   2.5460   1.2640 0.4926000 1.921000 
1 1 1  -53   23   10 o   3.1600   1.0500   3.1840   1.4890   3.1370   1.4820 0.4672000E-01 2.100000 
1 1 1  -53   23   11 o   3.1560   1.0260   3.5790   1.5590   2.7340   1.3350 0.8456000 2.053000 
1 1 1  -53   23   12 o   6.6690   1.1310   6.8280   1.5500   6.5100   1.6470 0.3184000 2.262000 
1 1 1  -53   23   13 o   8.8670   0.8748   9.2090   1.1810   8.5240   1.2910 0.6852000 1.750000 
1 1 1  -53   23   14 o   4.1300   1.1280   5.1540   1.7370   3.1060   1.4410 2.048000 2.257000 
1 1 1  -53   23   15 o   3.1570   1.0190   2.6940   1.3010   3.6200   1.5680 -0.9265000 2.038000 
1 1 1  -53   23   16 o   2.7990   0.9578   2.4970   1.2250   3.1010   1.4730 -0.6036000 1.916000 
1 1 1  -53   23   17 o   3.4690   1.1200   3.3150   1.5420   3.6220   1.6240 -0.3070000 2.239000 
1 1 1  -53   23   18 o   7.6520   1.2680   8.5280   1.7720   6.7770   1.8150 1.751000 2.536000 
1 1 1  -53   25    1 o   2.8340   0.9854   2.8450   1.3940   2.8220   1.3940 0.2266000E-01 1.971000 
1 1 1  -53   25    2 o   4.3240   1.2860   4.7220   1.8820   3.9250   1.7530 0.7967000 2.572000 
1 1 1  -53   25    3 o   3.2810   1.0720   3.5640   1.5570   2.9990   1.4740 0.5647000 2.144000 
1 1 1  -53   25    4 o   3.9080   1.1950   3.9510   1.6450   3.8650   1.7340 0.8608000E-01 2.391000 
1 1 1  -53   25    5 f   3.9960   1.1680   3.6800   1.5930   4.3130   1.7090 -0.6330000 2.336000 
1 1 1  -53   25    6 o   4.4050   1.2070   4.0560   1.6620   4.7530   1.7500 -0.6977000 2.414000 
1 1 1  -53   25    7 o   4.0610   1.1670   4.4940   1.7170   3.6280   1.5820 0.8652000 2.335000 
1 1 1  -53   25    8 o   2.4630   0.8588   2.4950   1.2270   2.4320   1.2020 0.6331000E-01 1.718000 
1 1 1  -53   25    9 o   3.2110   1.0270   2.6810   1.2950   3.7400   1.5930 -1.058000 2.053000 
1 1 1  -53   25   10 o   2.4530   0.8545   2.6940   1.3000   2.2110   1.1090 0.4827000 1.709000 
1 1 1  -53   25   11 o   2.2150   0.7942   1.9530   0.9925   2.4780   1.2400 -0.5246000 1.588000 
1 1 1  -53   25   12 o   1.9260   0.6986   1.9670   1.0070   1.8850   0.9689 0.8220000E-01 1.397000 
1 1 1  -53   25   13 o   4.9590   1.3200   5.1570   1.8700   4.7600   1.8630 0.3971000 2.640000 
1 1 1  -53   25   14 o   2.1650   0.7892   2.0980   1.0890   2.2320   1.1430 -0.1342000 1.578000 
1 1 1  -52    0    1 o   8.4630   0.9950   8.4630   0.9950   8.4630   0.9950 0.000000 0.000000 
1 1 1  -52    0    2 o   13.670   0.6137   13.670   0.6137   13.670   0.6137 0.000000 0.000000 
1 1 1  -52    0    3 o   10.930   0.7480   10.930   0.7480   10.930   0.7480 0.000000 0.000000 
1 1 1  -52    0    4 f   15.610   0.5261   15.610   0.5261   15.610   0.5261 0.000000 0.000000 
1 1 1  -52    0    5 o   5.6530   1.5300   5.6530   1.5300   5.6530   1.5300 -0.000000 0.000000 
1 1 1  -52    0    6 o   32.860   0.3840   32.860   0.3840   32.860   0.3840 -0.000000 0.000000 
1 1 1  -52    0    7 o   43.960   0.4387   43.960   0.4387   43.960   0.4387 0.000000 0.000000 
1 1 1  -52    0    8 o   19.780   0.3900   19.780   0.3900   19.780   0.3900 -0.000000 0.000000 
1 1 1  -52    0    9 o   7.2540   0.8765   7.2540   0.8765   7.2540   0.8765 -0.000000 0.000000 
1 1 1  -52    0   10 o   7.9070   0.7788   7.9070   0.7788   7.9070   0.7788 -0.000000 0.000000 
1 1 1  -52    0   11 o   14.960   0.4424   14.960   0.4424   14.960   0.4424 0.000000 0.000000 
1 1 1  -52    0   12 o   17.330   0.4072   17.330   0.4072   17.330   0.4072 -0.000000 0.000000 
1 1 1  -52    0   13 o   10.300   0.7877   10.300   0.7877   10.300   0.7877 0.000000 0.000000 
1 1 1  -52    0   14 o   21.510   0.4922   21.510   0.4922   21.510   0.4922 -0.000000 0.000000 
1 1 1  -52    0   15 f   1.4900   1.0550   1.4900   1.0550   1.4900   1.0550 0.000000 0.000000 
1 1 1  -52    0   16 o   13.610   0.5222   13.610   0.5222   13.610   0.5222 0.000000 0.000000 
1 1 1  -52    0   17 o   3.9690   1.6900   3.9690   1.6900   3.9690   1.6900 -0.000000 0.000000 
1 1 1  -52    0   18 o   1.5620   1.1020   1.5620   1.1020   1.5620   1.1020 -0.000000 0.000000 
1 1 1  -52    0   19 o   10.560   0.7183   10.560   0.7183   10.560   0.7183 -0.000000 0.000000 
1 1 1  -52    0   20 o   12.420   0.6213   12.420   0.6213   12.420   0.6213 -0.000000 0.000000 
1 1 1  -52    0   21 o   5.4380   1.6060   5.4380   1.6060   5.4380   1.6060 0.000000 0.000000 
1 1 1  -52    0   22 o   4.0760   1.8130   4.0760   1.8130   4.0760   1.8130 -0.000000 0.000000 
1 1 1  -52    0   23 o   3.6850   2.0480   3.6850   2.0480   3.6850   2.0480 -0.000000 0.000000 
1 1 1  -52    0   24 o   7.1860   1.4960   7.1860   1.4960   7.1860   1.4960 0.000000 0.000000 
1 1 1  -52    0   25 o   2.0970   1.4230   2.0970   1.4230   2.0970   1.4230 -0.000000 0.000000 
1 1 1  -52    0   26 o   21.280   0.5151   21.280   0.5151   21.280   0.5151 0.000000 0.000000 
1 1 1  -52    0   27 o   12.620   0.8101   12.620   0.8101   12.620   0.8101 -0.000000 0.000000 
1 1 1  -52    0   28 o   12.240   1.3410   12.240   1.3410   12.240   1.3410 -0.000000 0.000000 
1 1 1  -52    0   29 o   1.9380   1.3660   1.9380   1.3660   1.9380   1.3660 -0.000000 0.000000 
1 1 1  -52    0   30 o   4.2300   2.0960   4.2300   2.0960   4.2300   2.0960 -0.000000 0.000000 
1 1 1  -52    0   31 o   3.2730   1.9180   3.2730   1.9180   3.2730   1.9180 -0.000000 0.000000 
1 1 1  -52    0   32 o   3.6170   1.9980   3.6170   1.9980   3.6170   1.9980 0.000000 0.000000 
1 1 1  -52    0   33 o   2.2780   1.6060   2.2780   1.6060   2.2780   1.6060 0.000000 0.000000 
1 1 1  -52    2    1 o   6.3720   0.9621   5.6920   1.5520   7.0520   1.1370 -1.359000 1.924000 
1 1 1  -52    2    2 o   8.9400   0.6478   9.3960   0.9526   8.4830   0.8780 0.9130000 1.296000 
1 1 1  -52    2    3 o   11.630   0.5862   12.740   0.8100   10.520   0.8477 2.221000 1.172000 
1 1 1  -52    2    4 o   26.290   0.3164   26.070   0.4445   26.510   0.4504 -0.4355000 0.6328000 
1 1 1  -52    2    5 o   7.9620   0.6365   7.5860   0.8368   8.3380   0.9594 -0.7515000 1.273000 
1 1 1  -52    2    6 o   17.620   0.2665   18.130   0.3866   17.110   0.3670 1.020000 0.5330000 
1 1 1  -52    2    7 o   26.050   0.2431   26.310   0.3452   25.790   0.3423 0.5180000 0.4862000 
1 1 1  -52    2    8 o   3.9070   0.9530   4.3350   1.2640   3.4800   1.4270 0.8548000 1.906000 
1 1 1  -52    2    9 o   4.3330   1.2110   4.8840   1.8620   3.7820   1.5490 1.102000 2.422000 
1 1 1  -52    2   10 o   7.6450   0.8504   8.0730   1.0590   7.2160   1.3310 0.8562000 1.701000 
1 1 1  -52    2   11 o   12.420   0.3978   12.760   0.5709   12.070   0.5542 0.6853000 0.7956000 
1 1 1  -52    2   12 o   19.640   0.2698   19.550   0.3909   19.730   0.3718 -0.1800000 0.5395000 
1 1 1  -52    2   13 o   5.2470   0.8789   5.0590   1.3200   5.4360   1.1610 -0.3769000 1.758000 
1 1 1  -52    2   14 o   34.900   0.2737   35.110   0.3920   34.690   0.3821 0.4213000 0.5474000 
1 1 1  -52    2   15 o   22.270   0.3136   22.650   0.4474   21.890   0.4396 0.7536000 0.6272000 
1 1 1  -52    2   16 o   9.9840   0.5822   9.5050   0.8789   10.460   0.7638 -0.9591000 1.164000 
1 1 1  -52    2   17 f   16.730   0.3222   17.000   0.4489   16.460   0.4624 0.5418000 0.6444000 
1 1 1  -52    2   18 o   7.2230   0.7129   7.2810   0.9955   7.1650   1.0210 0.1154000 1.426000 
1 1 1  -52    2   19 o   8.2660   0.6751   9.6800   0.7574   6.8510   1.1180 2.829000 1.350000 
1 1 1  -52    2   20 f   22.660   0.2918   22.220   0.4148   23.100   0.4105 -0.8778000 0.5836000 
1 1 1  -52    2   21 o   26.640   0.2859   26.610   0.4015   26.680   0.4072 -0.7063000E-01 0.5718000 
1 1 1  -52    2   22 o   7.4330   0.8981   7.5920   1.3110   7.2740   1.2280 0.3183000 1.796000 
1 1 1  -52    2   23 f   3.8050   1.0320   4.3350   1.5130   3.2750   1.4040 1.059000 2.064000 
1 1 1  -52    2   24 o   5.1270   1.1680   5.3770   1.5990   4.8760   1.7040 0.5010000 2.336000 
1 1 1  -52    2   25 o   13.260   0.5028   12.880   0.7330   13.640   0.6885 -0.7594000 1.006000 
1 1 1  -52    2   26 o   14.940   0.4741   16.120   0.6293   13.760   0.7092 2.357000 0.9482000 
1 1 1  -52    2   27 o   6.1450   1.1710   7.7090   1.5090   4.5820   1.7910 3.127000 2.342000 
1 1 1  -52    2   28 o   13.720   0.5620   13.600   0.7892   13.840   0.8004 -0.2390000 1.124000 
1 1 1  -52    2   29 o   4.2080   1.2170   5.2400   1.9150   3.1750   1.5030 2.065000 2.434000 
1 1 1  -52    2   30 o   6.0040   1.1970   5.6570   1.7210   6.3510   1.6640 -0.6946000 2.394000 
1 1 1  -52    2   31 o   6.4080   1.1750   6.9120   1.5820   5.9050   1.7390 1.007000 2.351000 
1 1 1  -52    2   32 o   2.3940   0.8378   2.5020   1.2280   2.2860   1.1400 0.2160000 1.676000 
1 1 1  -52    2   33 o   2.3750   1.2200  ?   ?    2.3750   1.2200      ?      ? 
1 1 1  -52    4    1 o   15.930   0.3742   15.570   0.5584   16.300   0.4982 -0.7217000 0.7483000 
1 1 1  -52    4    2 f   17.220   0.3588   17.370   0.5610   17.080   0.4474 0.2961000 0.7175000 
1 1 1  -52    4    3 o   20.420   0.5549   20.850   0.6885   19.990   0.8704 0.8602000 1.110000 
1 1 1  -52    4    4 o   4.6290   1.3560   3.8580   1.7030   5.3990   2.1100 -1.541000 2.711000 
1 1 1  -52    4    5 o   5.5060   1.3420   6.5050   1.8660   4.5070   1.9290 1.998000 2.684000 
1 1 1  -52    4    6 o   4.4860   1.2470   5.5670   1.8970   3.4050   1.6200 2.162000 2.495000 
1 1 1  -52    4    7 o   11.390   1.0120   11.460   1.0880   11.310   1.7070 0.1517000 2.025000 
1 1 1  -52    4    8 o   9.2070   0.9903   10.350   1.1400   8.0680   1.6200 2.278000 1.981000 
1 1 1  -52    4    9 o   28.820   0.4067   28.710   0.5666   28.940   0.5838 -0.2268000 0.8135000 
1 1 1  -52    4   10 o   14.630   0.4537   15.270   0.7661   13.990   0.4863 1.286000 0.9074000 
1 1 1  -52    4   11 o   19.670   0.3155   19.750   0.4347   19.590   0.4574 0.1547000 0.6310000 
1 1 1  -52    4   12 o   12.860   0.4482   12.150   0.6382   13.570   0.6296 -1.421000 0.8965000 
1 1 1  -52    4   13 o   21.460   0.2733   21.550   0.3900   21.360   0.3831 0.1869000 0.5467000 
1 1 1  -52    4   14 o   4.3990   0.9607   4.0850   1.4040   4.7120   1.3120 -0.6263000 1.921000 
1 1 1  -52    4   15 o   7.2640   0.6972   7.4560   0.9857   7.0720   0.9863 0.3836000 1.394000 
1 1 1  -52    4   16 o   3.4550   1.0120   4.1340   1.5660   2.7760   1.2820 1.358000 2.024000 
1 1 1  -52    4   17 o   16.820   0.4107   16.360   0.6110   17.280   0.5490 -0.9174000 0.8214000 
1 1 1  -52    4   18 o   27.120   0.2760   27.190   0.3926   27.050   0.3879 0.1445000 0.5519000 
1 1 1  -52    4   19 o   24.100   0.2870   24.100   0.4084   24.100   0.4033 -0.3561000E-02 0.5740000 
1 1 1  -52    4   20 o   18.450   0.3880   18.500   0.5709   18.390   0.5257 0.1084000 0.7761000 
1 1 1  -52    4   21 o   29.990   0.3373   30.090   0.4916   29.900   0.4619 0.1853000 0.6745000 
1 1 1  -52    4   22 o   12.400   0.4775   12.090   0.6785   12.720   0.6722 -0.6253000 0.9551000 
1 1 1  -52    4   23 f   4.1070   1.0690   3.7520   1.4680   4.4610   1.5530 -0.7098000 2.137000 
1 1 1  -52    4   24 o   4.8590   1.1500   4.8280   1.5470   4.8900   1.7020 -0.6205000E-01 2.300000 
1 1 1  -52    4   25 f   7.5460   1.0030   6.4580   1.5200   8.6330   1.3080 -2.174000 2.005000 
1 1 1  -52    4   26 o   9.3520   0.8717   9.7010   1.1280   9.0030   1.3290 0.6983000 1.743000 
1 1 1  -52    4   27 o   6.6520   1.0630   8.0410   1.2700   5.2640   1.7040 2.777000 2.125000 
1 1 1  -52    4   28 o   4.7530   1.1830   5.4640   1.7010   4.0410   1.6450 1.423000 2.366000 
1 1 1  -52    4   29 o   11.930   0.7907   11.900   1.1150   11.960   1.1210 -0.6606000E-01 1.581000 
1 1 1  -52    4   30 o   9.9620   0.7985   9.5190   1.1830   10.410   1.0730 -0.8877000 1.597000 
1 1 1  -52    4   31 o   3.0640   0.9951   3.5720   1.5460   2.5570   1.2540 1.016000 1.990000 
1 1 1  -52    4   32 o   2.1060   0.7518   1.9640   0.9963   2.2480   1.1260 -0.2839000 1.504000 
1 1 1  -52    6    1 o   17.070   0.2902   16.670   0.4191   17.470   0.4014 -0.7998000 0.5803000 
1 1 1  -52    6    2 f   20.190   0.5958   20.270   0.7727   20.110   0.9070 0.1622000 1.192000 
1 1 1  -52    6    3 o   20.850   0.5841   20.820   0.7480   20.880   0.8974 -0.6492000E-01 1.168000 
1 1 1  -52    6    4 o   27.050   0.4969   27.450   0.6485   26.660   0.7531 0.7851000 0.9938000 
1 1 1  -52    6    5 o   9.9690   1.1280   10.330   1.3740   9.6050   1.7890 0.7266000 2.256000 
1 1 1  -52    6    6 o   15.290   0.7137   15.240   0.9252   15.330   1.0870 -0.9442000E-01 1.427000 
1 1 1  -52    6    7 o   25.940   0.4544   26.320   0.6295   25.560   0.6555 0.7556000 0.9088000 
1 1 1  -52    6    8 o   5.0600   1.2910   4.0080   1.7150   6.1120   1.9310 -2.104000 2.583000 
1 1 1  -52    6    9 o   10.590   0.8798   11.540   1.0690   9.6320   1.3980 1.911000 1.760000 
1 1 1  -52    6   10 o   7.4790   1.1770   8.5890   1.4370   6.3700   1.8650 2.219000 2.354000 
1 1 1  -52    6   11 o   28.220   0.4217   28.340   0.5835   28.110   0.6090 0.2291000 0.8434000 
1 1 1  -52    6   12 o   12.890   0.3960   12.700   0.5014   13.070   0.6131 -0.3749000 0.7920000 
1 1 1  -52    6   13 o   25.780   0.3076   25.790   0.4286   25.770   0.4413 0.2261000E-01 0.6152000 
1 1 1  -52    6   14 o   31.540   0.2714   31.460   0.3877   31.620   0.3799 -0.1609000 0.5428000 
1 1 1  -52    6   15 o   9.1860   0.5528   9.7730   0.7451   8.6000   0.8167 1.172000 1.106000 
1 1 1  -52    6   16 o   8.1090   0.6406   7.6360   0.9618   8.5810   0.8464 -0.9447000 1.281000 
1 1 1  -52    6   17 o   18.010   0.4124   17.530   0.6101   18.490   0.5549 -0.9566000 0.8247000 
1 1 1  -52    6   18 o   13.800   0.4651   13.710   0.6683   13.890   0.6469 -0.1800000 0.9301000 
1 1 1  -52    6   19 o   3.4780   1.0200   2.8860   1.3340   4.0710   1.5430 -1.185000 2.040000 
1 1 1  -52    6   20 o   26.200   0.2928   26.250   0.4156   26.150   0.4125 0.9371000E-01 0.5856000 
1 1 1  -52    6   21 o   13.780   0.4402   14.210   0.6001   13.340   0.6443 0.8704000 0.8805000 
1 1 1  -52    6   22 o   7.8560   0.7970   8.2700   1.0280   7.4410   1.2180 0.8286000 1.594000 
1 1 1  -52    6   23 o   13.090   0.4848   12.340   0.7102   13.850   0.6602 -1.517000 0.9697000 
1 1 1  -52    6   24 o   6.6670   0.9887   7.1180   1.2650   6.2160   1.5200 0.9012000 1.977000 
1 1 1  -52    6   25 f   5.0820   1.3070   5.4210   1.7870   4.7440   1.9090 0.6766000 2.615000 
1 1 1  -52    6   26 o   11.920   0.5877   11.620   0.8118   12.220   0.8501 -0.6055000 1.175000 
1 1 1  -52    6   27 o   4.9980   1.1180   6.1100   1.5420   3.8870   1.6180 2.224000 2.235000 
1 1 1  -52    6   28 o   10.530   0.7689   12.110   0.8701   8.9520   1.2680 3.153000 1.538000 
1 1 1  -52    6   29 o   6.6860   1.3050   7.6010   1.7540   5.7700   1.9320 1.831000 2.610000 
1 1 1  -52    6   30 o   3.6670   1.1600   3.0140   1.4450   4.3200   1.8160 -1.305000 2.321000 
1 1 1  -52    6   31 o   7.5240   1.0350   5.9180   1.6590   9.1300   1.2370 -3.212000 2.069000 
1 1 1  -52    6   32 o   5.3500   1.2030   5.6340   1.6620   5.0670   1.7400 0.5670000 2.407000 
1 1 1  -52    8    1 o   15.200   0.3774   15.970   0.5728   14.440   0.4916 1.529000 0.7549000 
1 1 1  -52    8    2 o   28.720   0.5019   28.090   0.6622   29.360   0.7543 -1.273000 1.004000 
1 1 1  -52    8    3 f   9.8410   1.2290   10.390   1.4300   9.2870   1.9980 1.108000 2.457000 
1 1 1  -52    8    4 o   25.320   0.5320   26.440   0.6668   24.210   0.8292 2.224000 1.064000 
1 1 1  -52    8    5 o   22.780   0.5552   23.140   0.7017   22.420   0.8607 0.7245000 1.110000 
1 1 1  -52    8    6 o   26.110   0.4806   25.710   0.6632   26.500   0.6959 -0.7845000 0.9613000 
1 1 1  -52    8    7 o   20.890   0.5251   21.630   0.7111   20.140   0.7730 1.492000 1.050000 
1 1 1  -52    8    8 o   3.0230   1.0350   2.5660   1.2770   3.4800   1.6290 -0.9143000 2.070000 
1 1 1  -52    8    9 o   43.480   0.4705   43.160   0.6571   43.810   0.6734 -0.6509000 0.9409000 
1 1 1  -52    8   10 o   32.040   0.4357   32.280   0.6023   31.810   0.6298 0.4701000 0.8714000 
1 1 1  -52    8   11 o   32.820   0.4366   32.760   0.6070   32.880   0.6277 -0.1124000 0.8732000 
1 1 1  -52    8   12 o   10.430   0.6751   10.310   1.2340   10.540   0.5474 -0.2300000 1.350000 
1 1 1  -52    8   13 o   9.6210   0.5361   10.050   0.6926   9.1890   0.8185 0.8641000 1.072000 
1 1 1  -52    8   14 o   14.130   0.3593   13.680   0.5172   14.590   0.4988 -0.9097000 0.7186000 
1 1 1  -52    8   15 o   22.920   0.3208   23.550   0.4658   22.290   0.4413 1.258000 0.6416000 
1 1 1  -52    8   16 o   18.220   0.3729   18.410   0.5443   18.020   0.5099 0.3925000 0.7458000 
1 1 1  -52    8   17 o   13.290   0.7686   12.920   1.2160   13.650   0.9409 -0.7263000 1.537000 
1 1 1  -52    8   18 o   21.360   0.3087   21.590   0.4398   21.130   0.4334 0.4625000 0.6174000 
1 1 1  -52    8   19 o   11.700   0.4937   11.330   0.7106   12.080   0.6856 -0.7526000 0.9874000 
1 1 1  -52    8   20 o   3.7960   1.0520   3.6150   1.4550   3.9770   1.5180 -0.3623000 2.103000 
1 1 1  -52    8   21 o   23.300   0.3226   23.180   0.4518   23.410   0.4606 -0.2356000 0.6452000 
1 1 1  -52    8   22 o   7.1730   0.9210   7.1700   1.2590   7.1760   1.3450 -0.6217000E-02 1.842000 
1 1 1  -52    8   23 o   13.920   0.5401   13.280   0.7652   14.550   0.7625 -1.266000 1.080000 
1 1 1  -52    8   24 o   4.6070   1.1500   4.5150   1.5940   4.6990   1.6580 -0.1848000 2.300000 
1 1 1  -52    8   25 o   15.900   0.5239   16.330   0.6708   15.470   0.8049 0.8638000 1.048000 
1 1 1  -52    8   26 o   16.950   0.4597   17.080   0.6238   16.820   0.6754 0.2590000 0.9194000 
1 1 1  -52    8   27 o   11.510   0.6659   12.030   0.8617   11.000   1.0150 1.030000 1.332000 
1 1 1  -52    8   28 o   4.0460   1.1270   4.9010   1.7050   3.1920   1.4740 1.709000 2.254000 
1 1 1  -52    8   29 o   2.8140   0.9744   2.7240   1.3390   2.9050   1.4160 -0.1814000 1.949000 
1 1 1  -52    8   30 o   17.310   0.6164   17.460   0.8995   17.160   0.8431 0.2928000 1.233000 
1 1 1  -52    8   31 o   3.3110   1.0480   3.8620   1.6210   2.7610   1.3290 1.102000 2.096000 
1 1 1  -52   10    1 o   11.660   0.5528   11.490   0.6393   11.830   0.9021 -0.3319000 1.106000 
1 1 1  -52   10    2 o   19.090   0.9908   20.050   1.2210   18.130   1.5600 1.920000 1.982000 
1 1 1  -52   10    3 o   15.620   0.9534   16.790   1.3870   14.440   1.3080 2.343000 1.907000 
1 1 1  -52   10    4 f   21.640   0.6032   21.510   0.7850   21.780   0.9160 -0.2613000 1.206000 
1 1 1  -52   10    5 o   24.380   0.5457   24.490   0.7032   24.270   0.8346 0.2147000 1.091000 
1 1 1  -52   10    6 o   16.710   0.6685   16.970   0.9202   16.450   0.9699 0.5199000 1.337000 
1 1 1  -52   10    7 o   33.480   0.4585   33.630   0.6442   33.340   0.6525 0.2956000 0.9169000 
1 1 1  -52   10    8 o   24.100   0.4932   23.670   0.6865   24.540   0.7083 -0.8700000 0.9864000 
1 1 1  -52   10    9 o   14.460   0.9429   14.320   1.5810   14.610   1.0280 -0.2858000 1.886000 
1 1 1  -52   10   10 o   20.590   0.7803   21.160   1.1210   20.030   1.0850 1.124000 1.561000 
1 1 1  -52   10   11 o   6.7050   1.7040   6.4460   2.4560   6.9640   2.3610 -0.5180000 3.407000 
1 1 1  -52   10   12 o   18.020   0.3058   18.280   0.3591   17.770   0.4951 0.5028000 0.6116000 
1 1 1  -52   10   13 o   11.810   0.4969   11.620   0.6674   12.000   0.7365 -0.3782000 0.9939000 
1 1 1  -52   10   14 o   19.030   0.3089   19.080   0.4302   18.970   0.4434 0.1135000 0.6178000 
1 1 1  -52   10   15 o   18.800   0.3180   18.570   0.4538   19.030   0.4456 -0.4581000 0.6360000 
1 1 1  -52   10   16 o   13.990   0.3978   13.460   0.5688   14.510   0.5562 -1.046000 0.7955000 
1 1 1  -52   10   17 o   8.5210   0.9903   7.3890   1.6060   9.6530   1.1590 -2.264000 1.981000 
1 1 1  -52   10   18 o   9.1800   0.6598   10.500   0.7615   7.8630   1.0780 2.635000 1.320000 
1 1 1  -52   10   19 o   5.0930   1.0250   4.0970   1.4950   6.0890   1.4040 -1.992000 2.051000 
1 1 1  -52   10   20 o   10.540   0.6745   12.190   0.7067   8.8850   1.1490 3.301000 1.349000 
1 1 1  -52   10   21 o   11.100   0.6607   11.770   0.8208   10.420   1.0350 1.352000 1.321000 
1 1 1  -52   10   22 o   6.4380   1.0180   7.6480   1.2080   5.2290   1.6390 2.419000 2.037000 
1 1 1  -52   10   23 o   13.320   0.5222   13.680   0.6997   12.960   0.7752 0.7144000 1.044000 
1 1 1  -52   10   24 f   14.950   0.4781   14.770   0.6617   15.120   0.6901 -0.3575000 0.9561000 
1 1 1  -52   10   25 o   6.2490   1.1670   7.4040   1.4310   5.0940   1.8440 2.310000 2.334000 
1 1 1  -52   10   26 o   14.010   0.5452   13.720   0.7430   14.300   0.7980 -0.5808000 1.090000 
1 1 1  -52   10   27 o   9.9250   0.7755   9.5720   1.0720   10.280   1.1210 -0.7066000 1.551000 
1 1 1  -52   10   28 o   5.4150   1.2220   5.2780   1.6890   5.5530   1.7680 -0.2750000 2.445000 
1 1 1  -52   10   29 o   3.2670   1.0840   2.9250   1.4110   3.6100   1.6450 -0.6843000 2.168000 
1 1 1  -52   10   30 o   3.1680   1.0490   3.7800   1.6660   2.5560   1.2740 1.223000 2.097000 
1 1 1  -52   10   31 o   1.9370   1.0040   1.9370   1.0040  ?   ?       ?      ? 
1 1 1  -52   12    1 o   18.620   0.3422   18.980   0.4926   18.260   0.4751 0.7116000 0.6844000 
1 1 1  -52   12    2 o   7.3070   1.0990   7.4940   1.6940   7.1200   1.4010 0.3736000 2.198000 
1 1 1  -52   12    3 o   19.600   0.2830   19.360   0.3929   19.840   0.4075 -0.4852000 0.5661000 
1 1 1  -52   12    4 o   14.110   1.1100   16.070   1.5540   12.150   1.5860 3.919000 2.221000 
1 1 1  -52   12    5 o   11.050   1.3950   12.390   1.3210   9.7150   2.4580 2.673000 2.790000 
1 1 1  -52   12    6 f   15.200   0.7618   14.360   1.1250   16.040   1.0280 -1.675000 1.524000 
1 1 1  -52   12    7 o   4.2900   1.3160   4.4760   1.9000   4.1040   1.8220 0.3722000 2.633000 
1 1 1  -52   12    8 o   18.760   0.5985   18.610   0.8397   18.920   0.8531 -0.3089000 1.197000 
1 1 1  -52   12    9 o   17.240   0.6381   17.610   0.8781   16.860   0.9261 0.7435000 1.276000 
1 1 1  -52   12   10 o   5.0400   1.1510   5.7790   1.9890   4.3000   1.1570 1.479000 2.301000 
1 1 1  -52   12   11 o   14.820   0.3577   14.720   0.4635   14.920   0.5449 -0.2015000 0.7154000 
1 1 1  -52   12   12 o   23.760   0.3165   23.970   0.4290   23.550   0.4655 0.4164000 0.6331000 
1 1 1  -52   12   13 o   16.020   0.3346   16.200   0.4419   15.830   0.5024 0.3764000 0.6691000 
1 1 1  -52   12   14 o   23.570   0.2890   23.420   0.3923   23.720   0.4244 -0.3053000 0.5779000 
1 1 1  -52   12   15 o   9.7640   0.5742   9.2880   0.8219   10.240   0.8021 -0.9521000 1.148000 
1 1 1  -52   12   16 o   17.210   0.5156   16.430   0.7639   17.980   0.6927 -1.555000 1.031000 
1 1 1  -52   12   17 o   25.200   0.3722   24.600   0.5915   25.800   0.4518 -1.201000 0.7444000 
1 1 1  -52   12   18 o   12.240   0.5677   12.070   0.7668   12.410   0.8375 -0.3310000 1.135000 
1 1 1  -52   12   19 o   11.230   0.6283   11.540   0.8190   10.910   0.9531 0.6290000 1.257000 
1 1 1  -52   12   20 o   9.4920   0.7065   9.4750   0.9444   9.5100   1.0510 -0.3528000E-01 1.413000 
1 1 1  -52   12   21 o   10.960   0.6369   11.500   0.8243   10.410   0.9711 1.085000 1.274000 
1 1 1  -52   12   22 o   19.010   0.4239   19.470   0.5984   18.550   0.6007 0.9197000 0.8479000 
1 1 1  -52   12   23 o   10.280   0.7129   9.8930   1.0040   10.670   1.0120 -0.7730000 1.426000 
1 1 1  -52   12   24 o   4.4890   1.1140   5.7530   1.6390   3.2240   1.5090 2.529000 2.228000 
1 1 1  -52   12   25 o   5.8900   1.2910   5.2740   1.7910   6.5060   1.8590 -1.232000 2.581000 
1 1 1  -52   12   26 o   9.9730   0.7814   9.7820   1.1010   10.160   1.1090 -0.3813000 1.563000 
1 1 1  -52   12   27 o   4.3080   1.1950   4.1390   1.6550   4.4770   1.7250 -0.3390000 2.390000 
1 1 1  -52   12   28 o   2.7140   0.9224   2.9240   1.3740   2.5050   1.2310 0.4189000 1.845000 
1 1 1  -52   12   29 o   4.7640   1.4160   4.7670   1.9990   4.7620   2.0070 0.4335000E-02 2.832000 
1 1 1  -52   12   30 o   2.5800   1.2750   2.5800   1.2750  ?   ?       ?      ? 
1 1 1  -52   14    1 o   3.9390   1.0370   3.8120   1.4230   4.0660   1.5090 -0.2541000 2.074000 
1 1 1  -52   14    2 o   12.140   0.4543   11.810   0.6542   12.470   0.6305 -0.6599000 0.9085000 
1 1 1  -52   14    3 o   10.250   0.5727   9.6290   0.7606   10.880   0.8564 -1.251000 1.145000 
1 1 1  -52   14    4 o   5.9230   1.0240   4.3790   1.7790   7.4670   1.0140 -3.088000 2.048000 
1 1 1  -52   14    5 o   7.4950   1.0830   5.8330   1.7910   9.1570   1.2200 -3.325000 2.167000 
1 1 1  -52   14    6 o   10.950   0.7038   10.840   1.0190   11.070   0.9706 -0.2357000 1.408000 
1 1 1  -52   14    7 o   3.6990   1.0540   2.7150   1.2860   4.6820   1.6710 -1.967000 2.109000 
1 1 1  -52   14    8 o   6.2950   1.0770   6.5860   1.4530   6.0040   1.5890 0.5819000 2.153000 
1 1 1  -52   14    9 o   15.500   0.4661   15.580   0.6632   15.420   0.6552 0.1621000 0.9322000 
1 1 1  -52   14   10 o   27.080   0.2782   27.680   0.3830   26.480   0.4036 1.201000 0.5564000 
1 1 1  -52   14   11 o   15.220   0.3544   15.330   0.4600   15.120   0.5393 0.2082000 0.7089000 
1 1 1  -52   14   12 o   15.230   0.3761   15.500   0.4839   14.950   0.5759 0.5520000 0.7522000 
1 1 1  -52   14   13 o   18.270   0.3697   17.690   0.4855   18.850   0.5577 -1.159000 0.7395000 
1 1 1  -52   14   14 o   8.9170   0.7266   7.9000   1.0330   9.9350   1.0220 -2.035000 1.453000 
1 1 1  -52   14   15 o   14.710   0.6562   15.380   0.8166   14.050   1.0270 1.330000 1.312000 
1 1 1  -52   14   16 o   5.1950   1.2470   6.9310   1.9980   3.4600   1.4920 3.470000 2.493000 
1 1 1  -52   14   17 f   7.9130   0.8276   7.5970   1.1390   8.2280   1.2010 -0.6309000 1.655000 
1 1 1  -52   14   18 o   11.870   0.5603   11.120   0.8051   12.620   0.7794 -1.508000 1.121000 
1 1 1  -52   14   19 o   10.690   0.6698   11.940   0.7993   9.4360   1.0750 2.503000 1.340000 
1 1 1  -52   14   20 o   8.5420   0.8461   9.0340   1.0860   8.0500   1.2980 0.9840000 1.692000 
1 1 1  -52   14   21 o   15.590   0.5085   17.210   0.6689   13.970   0.7662 3.235000 1.017000 
1 1 1  -52   14   22 o   12.610   0.5900   13.200   0.7777   12.010   0.8875 1.193000 1.180000 
1 1 1  -52   14   23 f   6.5330   1.1230   7.7420   1.3990   5.3230   1.7560 2.420000 2.245000 
1 1 1  -52   14   24 o   13.930   0.6558   14.280   0.8529   13.570   0.9964 0.7100000 1.312000 
1 1 1  -52   14   25 o   5.9200   1.2240   5.8510   1.7150   5.9880   1.7470 -0.1371000 2.448000 
1 1 1  -52   14   26 o   6.5580   1.1550   5.5600   1.7420   7.5560   1.5180 -1.996000 2.311000 
1 1 1  -52   14   27 o   6.1940   1.3150   6.0150   1.8320   6.3740   1.8860 -0.3592000 2.629000 
1 1 1  -52   14   28 o   2.8120   0.9694   2.7010   1.3270   2.9240   1.4140 -0.2232000 1.939000 
1 1 1  -52   16    1 o   12.560   0.6576   13.960   0.7068   11.160   1.1090 2.799000 1.315000 
1 1 1  -52   16    2 o   24.140   0.3198   24.740   0.4438   23.540   0.4604 1.208000 0.6395000 
1 1 1  -52   16    3 o   4.5280   1.0670   3.9890   1.5150   5.0670   1.5040 -1.078000 2.134000 
1 1 1  -52   16    4 o   3.6850   1.0500   3.9090   1.4870   3.4610   1.4830 0.4474000 2.100000 
1 1 1  -52   16    5 o   4.1390   1.0750   4.2590   1.4870   4.0190   1.5530 0.2409000 2.151000 
1 1 1  -52   16    6 o   3.0710   0.9530   2.3270   1.1260   3.8160   1.5380 -1.489000 1.906000 
1 1 1  -52   16    7 o   10.040   0.6341   8.5590   0.9842   11.510   0.7998 -2.954000 1.268000 
1 1 1  -52   16    8 o   4.0510   1.0880   3.5410   1.4550   4.5610   1.6180 -1.020000 2.176000 
1 1 1  -52   16    9 o   5.2220   1.1250   5.1270   1.6140   5.3180   1.5680 -0.1916000 2.250000 
1 1 1  -52   16   10 o   12.850   0.5237   12.310   0.7865   13.400   0.6918 -1.096000 1.047000 
1 1 1  -52   16   11 o   25.800   0.3386   26.140   0.5073   25.450   0.4486 0.6894000 0.6772000 
1 1 1  -52   16   12 o   18.690   0.4350   18.310   0.5769   19.060   0.6512 -0.7509000 0.8700000 
1 1 1  -52   16   13 o   17.510   0.5857   16.920   0.9481   18.100   0.6877 -1.179000 1.171000 
1 1 1  -52   16   14 o   2.6900   0.9340   2.7080   1.3340   2.6720   1.3080 0.3613000E-01 1.868000 
1 1 1  -52   16   15 o   5.4600   1.0360   6.8400   1.2910   4.0800   1.6200 2.760000 2.071000 
1 1 1  -52   16   16 o   7.2390   0.9457   6.1670   1.4180   8.3110   1.2520 -2.144000 1.891000 
1 1 1  -52   16   17 o   17.490   0.4241   18.180   0.5431   16.790   0.6515 1.390000 0.8482000 
1 1 1  -52   16   18 o   20.660   0.3936   20.660   0.5414   20.670   0.5714 -0.8650000E-02 0.7871000 
1 1 1  -52   16   19 o   3.0970   1.0120   2.8940   1.3560   3.2990   1.5030 -0.4051000 2.024000 
1 1 1  -52   16   20 o   14.140   0.5588   14.290   0.7368   14.000   0.8404 0.2905000 1.118000 
1 1 1  -52   16   21 o   9.7010   0.7916   9.3270   1.1180   10.070   1.1210 -0.7481000 1.583000 
1 1 1  -52   16   22 o   12.900   0.6110   12.380   0.8715   13.420   0.8566 -1.044000 1.222000 
1 1 1  -52   16   23 o   4.1180   1.2240   4.2980   1.7380   3.9380   1.7240 0.3601000 2.448000 
1 1 1  -52   16   24 o   13.270   0.6460   14.080   0.8835   12.460   0.9427 1.620000 1.292000 
1 1 1  -52   16   25 o   2.6980   0.9400   2.9450   1.4230   2.4520   1.2290 0.4935000 1.880000 
1 1 1  -52   16   26 o   3.0640   1.0300   3.6320   1.6410   2.4950   1.2450 1.137000 2.060000 
1 1 1  -52   16   27 o   2.3910   0.8376   2.6110   1.2700   2.1720   1.0930 0.4397000 1.675000 
1 1 1  -52   18    1 o   6.7910   1.0060   7.2330   1.3160   6.3490   1.5230 0.8843000 2.013000 
1 1 1  -52   18    2 o   4.0940   1.1080   4.1330   1.5680   4.0560   1.5650 0.7705000E-01 2.215000 
1 1 1  -52   18    3 o   4.9470   1.2110   4.5120   1.6430   5.3820   1.7800 -0.8703000 2.423000 
1 1 1  -52   18    4 o   6.1280   1.1750   5.9730   1.6120   6.2830   1.7100 -0.3106000 2.350000 
1 1 1  -52   18    5 o   9.0500   0.8661   10.060   1.0180   8.0380   1.4010 2.025000 1.732000 
1 1 1  -52   18    6 o   3.7190   1.1280   3.7500   1.5890   3.6880   1.6010 0.6232000E-01 2.256000 
1 1 1  -52   18    7 o   3.7970   1.1390   3.4710   1.5320   4.1240   1.6870 -0.6529000 2.279000 
1 1 1  -52   18    8 o   4.1120   1.1750   4.6490   1.7320   3.5750   1.5880 1.075000 2.350000 
1 1 1  -52   18    9 o   13.950   0.5889   13.350   0.8360   14.560   0.8295 -1.209000 1.178000 
1 1 1  -52   18   10 o   9.9640   0.8180   10.590   1.0390   9.3350   1.2640 1.256000 1.636000 
1 1 1  -52   18   11 o   11.270   0.6580   10.260   1.0370   12.290   0.8104 -2.028000 1.316000 
1 1 1  -52   18   12 f   14.160   0.5002   13.170   0.7385   15.150   0.6748 -1.983000 1.000000 
1 1 1  -52   18   13 o   5.2470   1.1590   6.6580   1.6810   3.8370   1.5980 2.821000 2.319000 
1 1 1  -52   18   14 o   7.5110   1.0810   7.0680   1.6930   7.9530   1.3450 -0.8853000 2.163000 
1 1 1  -52   18   15 o   7.5230   1.0900   8.4440   1.4240   6.6020   1.6500 1.843000 2.180000 
1 1 1  -52   18   16 o   7.5930   1.1040   8.5560   1.4980   6.6310   1.6220 1.925000 2.208000 
1 1 1  -52   18   17 o   8.4230   1.0570   7.9290   1.6620   8.9180   1.3070 -0.9886000 2.114000 
1 1 1  -52   18   18 o   7.8790   1.0870   6.6800   1.7500   9.0780   1.2890 -2.399000 2.174000 
1 1 1  -52   18   19 f   10.050   0.8680   9.1370   1.3860   10.970   1.0460 -1.835000 1.736000 
1 1 1  -52   18   20 o   6.7480   1.1460   7.5350   1.4810   5.9610   1.7500 1.574000 2.293000 
1 1 1  -52   18   21 o   3.0510   0.9959   3.5850   1.5590   2.5180   1.2400 1.067000 1.992000 
1 1 1  -52   18   22 o   6.2460   1.4280   7.2250   1.9540   5.2660   2.0840 1.959000 2.856000 
1 1 1  -52   18   23 o   5.6060   1.4110   6.3790   2.0980   4.8330   1.8860 1.546000 2.821000 
1 1 1  -52   18   24 o   3.0030   0.9976   2.7000   1.3100   3.3060   1.5050 -0.6060000 1.995000 
1 1 1  -52   18   25 o   2.4670   0.8606   2.4220   1.2000   2.5120   1.2340 -0.8966000E-01 1.721000 
1 1 1  -52   20    1 o   10.800   0.7101   12.490   0.8154   9.1060   1.1630 3.380000 1.420000 
1 1 1  -52   20    2 o   8.8760   0.8458   10.190   0.9742   7.5600   1.3830 2.633000 1.692000 
1 1 1  -52   20    3 o   11.200   0.6408   11.540   0.8597   10.860   0.9506 0.6832000 1.282000 
1 1 1  -52   20    4 o   11.410   0.6776   11.550   0.8516   11.270   1.0540 0.2821000 1.355000 
1 1 1  -52   20    5 o   6.7880   1.0790   6.1890   1.5920   7.3870   1.4550 -1.198000 2.157000 
1 1 1  -52   20    6 o   6.8200   1.0920   6.1810   1.6060   7.4590   1.4790 -1.278000 2.183000 
1 1 1  -52   20    7 f   3.2750   1.0180   2.4980   1.2190   4.0520   1.6320 -1.554000 2.037000 
1 1 1  -52   20    8 o   14.060   0.5378   13.960   0.7571   14.150   0.7639 -0.1836000 1.076000 
1 1 1  -52   20    9 o   10.140   0.7303   9.9880   1.0350   10.300   1.0300 -0.3147000 1.461000 
1 1 1  -52   20   10 o   4.5090   1.1800   4.1340   1.6250   4.8850   1.7120 -0.7513000 2.360000 
1 1 1  -52   20   11 o   16.600   0.4642   17.240   0.6256   15.960   0.6860 1.284000 0.9284000 
1 1 1  -52   20   12 o   7.6660   0.9862   7.3470   1.4070   7.9850   1.3820 -0.6375000 1.972000 
1 1 1  -52   20   13 o   5.7360   1.1190   7.0930   1.4450   4.3790   1.7080 2.715000 2.237000 
1 1 1  -52   20   14 o   12.410   0.6019   12.350   0.8257   12.470   0.8761 -0.1185000 1.204000 
1 1 1  -52   20   15 o   7.4970   1.0400   9.3020   1.1650   5.6920   1.7230 3.610000 2.080000 
1 1 1  -52   20   16 o   13.380   0.5919   13.670   0.8461   13.090   0.8278 0.5815000 1.184000 
1 1 1  -52   20   17 o   3.8700   1.1820   4.7880   1.9110   2.9520   1.3910 1.836000 2.364000 
1 1 1  -52   20   18 o   5.1520   1.3480   4.7270   1.9220   5.5760   1.8910 -0.8483000 2.696000 
1 1 1  -52   20   19 o   3.1070   1.0500   2.8680   1.4100   3.3460   1.5550 -0.4784000 2.099000 
1 1 1  -52   20   20 o   5.5680   1.4760   4.7010   2.0550   6.4350   2.1190 -1.734000 2.952000 
1 1 1  -52   20   21 o   3.4470   1.1200   3.0380   1.4880   3.8550   1.6740 -0.8164000 2.240000 
1 1 1  -52   20   22 o   5.4790   1.2430   5.7940   1.7710   5.1640   1.7430 0.6298000 2.485000 
1 1 1  -52   20   23 f   2.9380   0.9812   2.8070   1.3450   3.0680   1.4290 -0.2605000 1.962000 
1 1 1  -52   22    1 o   5.0630   1.2350   5.8990   1.8000   4.2260   1.6920 1.674000 2.470000 
1 1 1  -52   22    2 o   3.8400   1.1480   3.7530   1.6030   3.9260   1.6420 -0.1732000 2.295000 
1 1 1  -52   22    3 o   5.9580   1.1990   5.1700   1.7600   6.7450   1.6300 -1.575000 2.399000 
1 1 1  -52   22    4 o   4.7450   1.2450   4.2900   1.6970   5.1990   1.8230 -0.9095000 2.491000 
1 1 1  -52   22    5 o   6.2590   1.1370   7.8130   1.4640   4.7040   1.7400 3.109000 2.274000 
1 1 1  -52   22    6 o   7.6370   1.0460   7.9660   1.4080   7.3080   1.5460 0.6587000 2.091000 
1 1 1  -52   22    7 o   4.6830   1.2170   4.2110   1.6890   5.1550   1.7520 -0.9436000 2.433000 
1 1 1  -52   22    8 o   13.750   0.5873   14.380   0.7925   13.130   0.8669 1.246000 1.175000 
1 1 1  -52   22    9 o   7.4230   1.0740   6.6070   1.6090   8.2380   1.4230 -1.631000 2.148000 
1 1 1  -52   22   10 o   3.7620   1.1130   4.4840   1.7070   3.0390   1.4300 1.446000 2.227000 
1 1 1  -52   22   11 o   4.9770   1.1360   6.3510   1.6450   3.6030   1.5680 2.748000 2.273000 
1 1 1  -52   22   12 o   3.0300   1.0170   2.9860   1.4220   3.0740   1.4550 -0.8787000E-01 2.035000 
1 1 1  -52   22   13 o   5.7380   1.2230   4.1460   1.7330   7.3300   1.7270 -3.184000 2.447000 
1 1 1  -52   22   14 o   6.0460   1.1710   8.0740   1.5990   4.0180   1.7120 4.056000 2.342000 
1 1 1  -52   22   15 o   3.5860   1.1160   4.4420   1.7880   2.7300   1.3360 1.712000 2.232000 
1 1 1  -52   22   16 o   6.0720   1.1460   7.4540   1.4790   4.6900   1.7520 2.763000 2.293000 
1 1 1  -52   22   17 o   8.9120   0.9082   9.4060   1.1700   8.4180   1.3900 0.9876000 1.816000 
1 1 1  -52   22   18 o   9.1590   1.0120   9.0970   1.4410   9.2200   1.4210 -0.1230000 2.024000 
1 1 1  -52   22   19 o   3.0370   1.0200   3.5310   1.6040   2.5420   1.2590 0.9885000 2.040000 
1 1 1  -52   22   20 o   2.2220   0.7901   2.2910   1.1510   2.1530   1.0830 0.1379000 1.580000 
1 1 1  -52   22   21 o   2.1150   0.7758   1.9580   1.0160   2.2710   1.1730 -0.3135000 1.552000 
1 1 1  -52   24    1 o   2.9380   0.9787   3.4790   1.5530   2.3960   1.1910 1.083000 1.957000 
1 1 1  -52   24    2 o   3.8640   1.1490   4.2780   1.6990   3.4490   1.5490 0.8294000 2.299000 
1 1 1  -52   24    3 o   6.6930   1.1860   6.6620   1.6660   6.7230   1.6890 -0.6085000E-01 2.373000 
1 1 1  -52   24    4 o   12.250   0.7060   12.790   0.8680   11.720   1.1140 1.074000 1.412000 
1 1 1  -52   24    5 o   9.2920   0.8832   9.0000   1.2610   9.5830   1.2370 -0.5822000 1.766000 
1 1 1  -52   24    6 o   10.310   0.7943   9.8060   1.1480   10.800   1.0980 -0.9978000 1.589000 
1 1 1  -52   24    7 o   5.8810   1.2300   6.2020   1.6860   5.5610   1.7920 0.6409000 2.460000 
1 1 1  -52   24    8 o   5.7810   1.2280   4.9610   1.7450   6.6010   1.7280 -1.639000 2.456000 
1 1 1  -52   24    9 o   3.6050   1.1080   4.0680   1.6620   3.1430   1.4650 0.9250000 2.216000 
1 1 1  -52   24   10 o   4.9230   1.2430   4.6730   1.7200   5.1740   1.7950 -0.5012000 2.485000 
1 1 1  -52   24   11 o   4.2510   1.1940   4.3310   1.6850   4.1720   1.6920 0.1587000 2.388000 
1 1 1  -52   24   12 o   3.4460   1.0590   4.1160   1.6470   2.7750   1.3310 1.341000 2.117000 
1 1 1  -52   24   13 o   3.1390   1.0210   2.9430   1.3840   3.3350   1.5020 -0.3924000 2.043000 
1 1 1  -52   24   14 f   8.6320   1.1270   9.5700   1.4180   7.6930   1.7520 1.877000 2.254000 
1 1 1  -52   24   15 o   6.5000   1.3060   7.4250   1.7820   5.5760   1.9100 1.849000 2.612000 
1 1 1  -52   24   16 o   4.0850   1.2270   3.8160   1.6810   4.3530   1.7880 -0.5377000 2.454000 
1 1 1  -52   24   17 o   2.2370   0.7945   2.1040   1.0710   2.3700   1.1730 -0.2660000 1.589000 
1 1 1  -52   26    1 o   3.6340   1.1170   3.9270   1.6380   3.3420   1.5190 0.5847000 2.235000 
1 1 1  -52   26    2 o   3.5910   1.0890   4.3090   1.6900   2.8720   1.3750 1.437000 2.178000 
1 1 1  -52   26    3 o   5.9550   1.1800   4.4250   1.8250   7.4850   1.4970 -3.060000 2.361000 
1 1 1  -52   26    4 o   6.2630   1.4290   6.6270   1.8940   5.8990   2.1420 0.7274000 2.859000 
1 1 1  -52   26    5 o   5.9440   1.3030   7.4990   1.8150   4.3890   1.8690 3.109000 2.606000 
1 1 1  -52   26    6 o   4.0180   1.2400   3.5890   1.6410   4.4480   1.8610 -0.8590000 2.481000 
1 1 1  -52   26    7 o   3.2590   1.0880   3.5700   1.6350   2.9480   1.4350 0.6217000 2.175000 
1 1 1  -52   26    8 o   2.8380   0.9831   2.8670   1.4000   2.8090   1.3810 0.5754000E-01 1.966000 
1 1 1  -52   26    9 o   2.5380   0.8959   2.8980   1.4080   2.1790   1.1080 0.7184000 1.792000 
1 1 1  -52   26   10 o   2.6280   0.9216   2.6580   1.3140   2.5970   1.2930 0.6137000E-01 1.843000 
1 1 1  -52   26   11 o   2.4200   0.8527   2.5290   1.2610   2.3110   1.1490 0.2174000 1.705000 
1 1 1  -52   26   12 o   3.1480   1.5040  ?   ?    3.1480   1.5040      ?      ? 
1 1 1  -51    1    1 o   5.6490   1.0580   6.4660   1.5000   4.8330   1.4920 1.633000 2.115000 
1 1 1  -51    1    2 o   24.250   0.2885   24.110   0.4112   24.390   0.4048 -0.2800000 0.5771000 
1 1 1  -51    1    3 o   24.680   0.2859   24.410   0.4059   24.950   0.4027 -0.5406000 0.5718000 
1 1 1  -51    1    4 o   25.220   0.2808   25.070   0.4031   25.370   0.3909 -0.3037000 0.5615000 
1 1 1  -51    1    5 o   18.020   0.3897   18.230   0.5516   17.810   0.5507 0.4187000 0.7795000 
1 1 1  -51    1    6 o   2.9170   0.9429   3.2860   1.4360   2.5490   1.2220 0.7376000 1.886000 
1 1 1  -51    1    7 o   32.000   0.3190   32.190   0.4517   31.820   0.4504 0.3714000 0.6379000 
1 1 1  -51    1    8 o   19.680   0.3264   20.070   0.4990   19.290   0.4208 0.7730000 0.6527000 
1 1 1  -51    1    9 o   38.460   0.2780   38.290   0.3925   38.640   0.3939 -0.3515000 0.5561000 
1 1 1  -51    1   10 o   23.970   0.2750   24.350   0.4237   23.590   0.3508 0.7533000 0.5500000 
1 1 1  -51    1   11 o   10.870   0.4114   10.820   0.5998   10.910   0.5632 -0.8921000E-01 0.8227000 
1 1 1  -51    1   12 o   14.090   0.3721   14.060   0.5312   14.130   0.5212 -0.6569000E-01 0.7442000 
1 1 1  -51    1   13 o   16.710   0.3345   16.860   0.4760   16.560   0.4701 0.2993000 0.6690000 
1 1 1  -51    1   14 o   7.9830   0.6824   8.6960   0.9024   7.2690   1.0240 1.427000 1.365000 
1 1 1  -51    1   15 o   17.900   0.3421   17.850   0.4927   17.950   0.4748 -0.9997000E-01 0.6842000 
1 1 1  -51    1   16 o   7.5660   0.6503   7.3970   0.9354   7.7350   0.9037 -0.3377000 1.301000 
1 1 1  -51    1   17 o   25.370   0.2657   25.290   0.3777   25.440   0.3739 -0.1421000 0.5315000 
1 1 1  -51    1   18 o   8.1200   0.6300   8.1900   0.8794   8.0490   0.9024 0.1411000 1.260000 
1 1 1  -51    1   19 o   16.240   0.3425   16.200   0.4812   16.280   0.4876 -0.8293000E-01 0.6850000 
1 1 1  -51    1   20 o   23.360   0.2869   23.570   0.4026   23.140   0.4089 0.4294000 0.5738000 
1 1 1  -51    1   21 o   15.650   0.3745   15.210   0.5335   16.100   0.5258 -0.8927000 0.7491000 
1 1 1  -51    1   22 o   16.270   0.4220   16.330   0.6516   16.210   0.5365 0.1208000 0.8440000 
1 1 1  -51    1   23 o   4.3890   1.1950   3.9200   1.6110   4.8580   1.7660 -0.9375000 2.391000 
1 1 1  -51    1   24 o   8.8960   0.7934   8.5600   1.1100   9.2320   1.1340 -0.6716000 1.587000 
1 1 1  -51    1   25 o   18.040   0.3829   18.120   0.5333   17.960   0.5495 0.1612000 0.7657000 
1 1 1  -51    1   26 o   9.4790   0.7147   9.4960   1.0190   9.4620   1.0020 0.3420000E-01 1.429000 
1 1 1  -51    1   27 o   7.4200   0.9844   7.4030   1.4000   7.4380   1.3840 -0.3507000E-01 1.969000 
1 1 1  -51    1   28 o   9.1810   1.2410   7.6890   2.0180   10.670   1.4440 -2.983000 2.481000 
1 1 1  -51    1   29 o   23.600   0.4407   23.280   0.6371   23.920   0.6092 -0.6348000 0.8815000 
1 1 1  -51    1   30 o   3.9780   1.1610   3.5610   1.5640   4.3940   1.7150 -0.8334000 2.321000 
1 1 1  -51    1   31 o   8.3300   0.9973   6.5620   1.6630   10.100   1.1020 -3.537000 1.995000 
1 1 1  -51    1   32 o   2.8540   0.9575   2.3890   1.1830   3.3200   1.5060 -0.9318000 1.915000 
1 1 1  -51    1   33 o   5.3900   1.2350   5.4720   1.7410   5.3090   1.7540 0.1637000 2.471000 
1 1 1  -51    3    1 o   25.770   0.3011   25.900   0.4609   25.630   0.3877 0.2691000 0.6023000 
1 1 1  -51    3    2 o   12.470   0.4721   12.380   0.7128   12.570   0.6192 -0.1906000 0.9442000 
1 1 1  -51    3    3 o   7.3380   0.6141   7.6090   0.9233   7.0660   0.8098 0.5434000 1.228000 
1 1 1  -51    3    4 o   16.450   0.5632   17.000   1.0660   15.900   0.3631 1.103000 1.126000 
1 1 1  -51    3    5 o   31.260   0.6044   31.730   0.8138   30.790   0.8939 0.9423000 1.209000 
1 1 1  -51    3    6 o   41.680   0.6301   41.460   0.8699   41.910   0.9117 -0.4517000 1.260000 
1 1 1  -51    3    7 o   22.570   0.6069   23.180   0.7991   21.970   0.9136 1.212000 1.214000 
1 1 1  -51    3    8 o   22.180   0.5939   22.800   0.7753   21.560   0.8999 1.238000 1.188000 
1 1 1  -51    3    9 f   25.990   0.2885   25.260   0.4469   26.730   0.3650 -1.465000 0.5771000 
1 1 1  -51    3   10 o   31.070   0.2812   30.880   0.3573   31.270   0.4343 -0.3876000 0.5624000 
1 1 1  -51    3   11 o   13.810   0.4247   14.090   0.5690   13.540   0.6307 0.5483000 0.8495000 
1 1 1  -51    3   12 o   17.570   0.2950   17.780   0.4290   17.360   0.4049 0.4135000 0.5899000 
1 1 1  -51    3   13 o   8.2630   0.5837   9.0460   0.7776   7.4800   0.8706 1.566000 1.167000 
1 1 1  -51    3   14 o   13.820   0.3657   14.010   0.5297   13.620   0.5044 0.3852000 0.7315000 
1 1 1  -51    3   15 o   9.8010   0.5060   9.7360   0.7427   9.8660   0.6874 -0.1299000 1.012000 
1 1 1  -51    3   16 o   7.5290   0.8103   7.1570   1.2370   7.9010   1.0470 -0.7447000 1.621000 
1 1 1  -51    3   17 o   4.5170   0.9912   4.4970   1.4080   4.5360   1.3950 -0.3857000E-01 1.982000 
1 1 1  -51    3   18 o   13.860   0.3890   14.070   0.5451   13.660   0.5551 0.4072000 0.7780000 
1 1 1  -51    3   19 o   20.350   0.3013   20.680   0.4214   20.020   0.4309 0.6679000 0.6027000 
1 1 1  -51    3   20 o   18.600   0.3242   19.100   0.4517   18.110   0.4651 0.9934000 0.6484000 
1 1 1  -51    3   21 o   23.410   0.3428   23.700   0.5008   23.130   0.4683 0.5677000 0.6856000 
1 1 1  -51    3   22 o   6.8870   0.9633   7.2970   1.3320   6.4760   1.3920 0.8205000 1.927000 
1 1 1  -51    3   23 o   2.5340   0.8459   2.2650   1.1040   2.8030   1.2820 -0.5383000 1.692000 
1 1 1  -51    3   24 o   5.3430   1.0800   6.4820   1.4050   4.2040   1.6400 2.278000 2.160000 
1 1 1  -51    3   25 o   11.910   0.5508   11.730   0.7834   12.100   0.7743 -0.3737000 1.102000 
1 1 1  -51    3   26 o   2.3090   0.8044   2.0410   1.0240   2.5760   1.2410 -0.5357000 1.609000 
1 1 1  -51    3   27 o   13.570   0.6437   12.360   0.9651   14.780   0.8520 -2.422000 1.287000 
1 1 1  -51    3   28 o   23.020   0.3777   23.310   0.5283   22.730   0.5400 0.5738000 0.7554000 
1 1 1  -51    3   29 o   12.070   0.7789   11.550   1.1580   12.590   1.0420 -1.035000 1.558000 
1 1 1  -51    3   30 o   10.940   0.7264   11.390   1.0000   10.480   1.0540 0.9113000 1.453000 
1 1 1  -51    3   31 o   6.0130   1.2100   5.5910   1.7430   6.4360   1.6780 -0.8450000 2.419000 
1 1 1  -51    3   32 o   2.4120   0.8439   2.2270   1.1150   2.5970   1.2670 -0.3697000 1.688000 
1 1 1  -51    3   33 o   2.6010   0.8944   2.8450   1.3530   2.3570   1.1700 0.4882000 1.789000 
1 1 1  -51    5    1 o   11.080   0.4359   11.150   0.6110   11.010   0.6220 0.1446000 0.8719000 
1 1 1  -51    5    2 o   4.9400   1.3840   5.3410   1.9400   4.5400   1.9730 0.8002000 2.768000 
1 1 1  -51    5    3 o   12.140   0.9308   11.950   1.2050   12.330   1.4190 -0.3833000 1.862000 
1 1 1  -51    5    4 o   12.600   1.1500   12.600   1.1500  ?   ?       ?      ? 
1 1 1  -51    5    5 o   31.590   0.4677   31.430   0.6241   31.740   0.6969 -0.3070000 0.9355000 
1 1 1  -51    5    6 o   22.590   0.5263   23.080   0.6754   22.100   0.8073 0.9807000 1.053000 
1 1 1  -51    5    7 o   6.2040   1.3640   6.2850   1.8980   6.1240   1.9600 0.1618000 2.728000 
1 1 1  -51    5    8 o   23.460   0.4575   24.030   0.6229   22.900   0.6702 1.121000 0.9150000 
1 1 1  -51    5    9 o   21.520   0.4740   21.730   0.6518   21.310   0.6884 0.4156000 0.9480000 
1 1 1  -51    5   10 o   22.260   0.4568   22.150   0.6414   22.370   0.6505 -0.2194000 0.9135000 
1 1 1  -51    5   11 o   15.800   0.2874   16.260   0.3938   15.350   0.4188 0.9104000 0.5748000 
1 1 1  -51    5   12 o   14.530   0.4038   14.190   0.5557   14.870   0.5860 -0.6831000 0.8076000 
1 1 1  -51    5   13 o   19.190   0.2930   18.910   0.4243   19.470   0.4042 -0.5553000 0.5860000 
1 1 1  -51    5   14 o   8.7970   0.5750   8.3770   0.8764   9.2170   0.7446 -0.8394000 1.150000 
1 1 1  -51    5   15 o   19.210   0.3008   19.590   0.4328   18.830   0.4178 0.7544000 0.6015000 
1 1 1  -51    5   16 o   25.820   0.3329   25.830   0.4834   25.810   0.4578 0.1594000E-01 0.6658000 
1 1 1  -51    5   17 o   8.0360   0.8340   7.8130   1.2360   8.2590   1.1200 -0.4465000 1.668000 
1 1 1  -51    5   18 o   11.880   0.4489   12.310   0.6044   11.440   0.6639 0.8745000 0.8978000 
1 1 1  -51    5   19 f   16.220   0.4126   15.580   0.6131   16.850   0.5524 -1.275000 0.8253000 
1 1 1  -51    5   20 o   12.020   0.5456   11.900   0.8032   12.140   0.7386 -0.2414000 1.091000 
1 1 1  -51    5   21 o   16.080   0.3754   16.000   0.5273   16.150   0.5344 -0.1434000 0.7508000 
1 1 1  -51    5   22 o   5.0010   1.0340   5.6650   1.4070   4.3380   1.5160 1.327000 2.068000 
1 1 1  -51    5   23 o   4.5720   1.0850   4.9140   1.5190   4.2290   1.5490 0.6855000 2.170000 
1 1 1  -51    5   24 o   4.2460   1.1090   4.7640   1.5610   3.7270   1.5740 1.037000 2.217000 
1 1 1  -51    5   25 f   11.540   0.7820   10.720   1.0830   12.350   1.1280 -1.631000 1.564000 
1 1 1  -51    5   26 o   15.790   0.5224   14.830   0.7443   16.760   0.7332 -1.926000 1.045000 
1 1 1  -51    5   27 o   11.720   0.6059   11.830   0.8187   11.600   0.8936 0.2214000 1.212000 
1 1 1  -51    5   28 o   8.0840   0.9461   8.9130   1.1600   7.2550   1.4950 1.658000 1.892000 
1 1 1  -51    5   29 o   9.4450   1.0090   9.9470   1.3360   8.9430   1.5120 1.004000 2.018000 
1 1 1  -51    5   30 o   4.7750   1.2380   4.5880   1.7140   4.9630   1.7860 -0.3749000 2.475000 
1 1 1  -51    5   31 f   3.5760   1.0960   4.0220   1.6400   3.1300   1.4550 0.8925000 2.192000 
1 1 1  -51    5   32 o   2.1400   0.7617   2.3450   1.1610   1.9350   0.9865 0.4097000 1.523000 
1 1 1  -51    7    1 o   36.090   0.3801   36.220   0.6418   35.960   0.4075 0.2647000 0.7603000 
1 1 1  -51    7    2 o   42.800   0.4976   43.690   0.6878   41.910   0.7193 1.786000 0.9952000 
1 1 1  -51    7    3 o   20.750   0.6057   21.240   0.7708   20.250   0.9345 0.9845000 1.211000 
1 1 1  -51    7    4 o   15.660   0.7674   16.870   0.9047   14.450   1.2400 2.421000 1.535000 
1 1 1  -51    7    5 o   19.770   0.6048   19.610   0.7962   19.940   0.9105 -0.3331000 1.210000 
1 1 1  -51    7    6 o   20.300   0.5533   19.980   0.7762   20.630   0.7886 -0.6499000 1.107000 
1 1 1  -51    7    7 o   21.410   0.5046   20.950   0.7234   21.860   0.7038 -0.9097000 1.009000 
1 1 1  -51    7    8 o   6.1880   1.3610   6.7820   1.8690   5.5950   1.9790 1.187000 2.722000 
1 1 1  -51    7    9 o   8.2340   1.1630   8.1370   1.6020   8.3310   1.6860 -0.1936000 2.326000 
1 1 1  -51    7   10 o   12.420   0.7661   11.860   1.0910   12.970   1.0760 -1.111000 1.532000 
1 1 1  -51    7   11 o   61.890   0.5952   61.360   0.8336   62.420   0.8498 -1.053000 1.190000 
1 1 1  -51    7   12 f   38.670   0.3159   38.520   0.4057   38.820   0.4842 -0.3061000 0.6317000 
1 1 1  -51    7   13 o   24.530   0.3081   24.840   0.4224   24.220   0.4488 0.6231000 0.6163000 
1 1 1  -51    7   14 o   13.600   0.3765   13.550   0.5342   13.650   0.5306 -0.1006000 0.7530000 
1 1 1  -51    7   15 o   8.9630   0.5643   8.7210   0.8261   9.2050   0.7688 -0.4841000 1.129000 
1 1 1  -51    7   16 o   19.260   0.3108   18.490   0.4549   20.040   0.4235 -1.556000 0.6215000 
1 1 1  -51    7   17 o   14.920   0.6580   14.740   1.0310   15.090   0.8175 -0.3424000 1.316000 
1 1 1  -51    7   18 o   5.4240   1.0710   5.9240   1.4700   4.9230   1.5590 1.001000 2.142000 
1 1 1  -51    7   19 o   22.050   0.3056   22.020   0.4288   22.080   0.4355 -0.6063000E-01 0.6112000 
1 1 1  -51    7   20 o   11.450   0.5134   11.060   0.7444   11.850   0.7072 -0.7891000 1.027000 
1 1 1  -51    7   21 o   15.820   0.3961   15.910   0.5525   15.720   0.5676 0.1860000 0.7921000 
1 1 1  -51    7   22 o   20.120   0.3445   19.970   0.4799   20.270   0.4944 -0.2978000 0.6890000 
1 1 1  -51    7   23 o   13.040   0.5017   13.380   0.6635   12.700   0.7526 0.6749000 1.003000 
1 1 1  -51    7   24 f   3.9400   1.1350   3.3720   1.4770   4.5080   1.7240 -1.136000 2.270000 
1 1 1  -51    7   25 o   13.110   0.5980   13.220   0.7581   13.000   0.9249 0.2135000 1.196000 
1 1 1  -51    7   26 o   18.650   0.4375   19.210   0.6137   18.090   0.6236 1.120000 0.8750000 
1 1 1  -51    7   27 o   16.190   0.4764   15.490   0.6697   16.900   0.6778 -1.410000 0.9528000 
1 1 1  -51    7   28 o   3.4880   1.0610   4.1660   1.6380   2.8090   1.3500 1.357000 2.123000 
1 1 1  -51    7   29 o   3.5450   1.1490   3.5190   1.6090   3.5710   1.6420 -0.5152000E-01 2.299000 
1 1 1  -51    7   30 o   14.830   0.6555   14.180   0.9280   15.470   0.9259 -1.290000 1.311000 
1 1 1  -51    7   31 o   14.300   0.5930   14.110   0.8656   14.490   0.8107 -0.3833000 1.186000 
1 1 1  -51    7   32 o   4.9480   1.2230   5.0300   1.7190   4.8660   1.7390 0.1643000 2.445000 
1 1 1  -51    9    1 o   16.710   0.3215   16.750   0.4453   16.670   0.4638 0.8280000E-01 0.6430000 
1 1 1  -51    9    2 o   12.840   0.9678   13.310   1.1840   12.380   1.5310 0.9298000 1.936000 
1 1 1  -51    9    3 o   34.600   0.4897   34.760   0.6519   34.440   0.7308 0.3227000 0.9793000 
1 1 1  -51    9    4 o   15.850   0.7602   15.260   1.0130   16.440   1.1340 -1.181000 1.520000 
1 1 1  -51    9    5 o   24.600   0.5359   25.300   0.6822   23.900   0.8266 1.391000 1.072000 
1 1 1  -51    9    6 o   11.760   0.9253   10.400   1.4260   13.110   1.1790 -2.716000 1.851000 
1 1 1  -51    9    7 o   29.140   0.4621   29.760   0.6406   28.520   0.6661 1.237000 0.9241000 
1 1 1  -51    9    8 o   26.540   0.4641   26.610   0.6388   26.470   0.6734 0.1381000 0.9282000 
1 1 1  -51    9    9 o   13.520   0.7468   12.410   1.1060   14.640   1.0040 -2.227000 1.494000 
1 1 1  -51    9   10 o   25.530   0.4581   25.580   0.6351   25.470   0.6603 0.1088000 0.9161000 
1 1 1  -51    9   11 o   23.700   0.4704   22.870   0.6572   24.530   0.6732 -1.658000 0.9408000 
1 1 1  -51    9   12 o   22.010   0.2742   22.380   0.3378   21.640   0.4321 0.7442000 0.5485000 
1 1 1  -51    9   13 o   25.730   0.3124   25.530   0.4951   25.940   0.3812 -0.4138000 0.6249000 
1 1 1  -51    9   14 o   28.750   0.3117   28.780   0.4480   28.710   0.4335 0.7159000E-01 0.6234000 
1 1 1  -51    9   15 o   14.270   0.4304   14.290   0.6132   14.240   0.6042 0.5802000E-01 0.8608000 
1 1 1  -51    9   16 o   29.600   0.2874   29.770   0.4099   29.420   0.4029 0.3561000 0.5748000 
1 1 1  -51    9   17 o   16.240   0.5020   16.480   0.7273   16.010   0.6920 0.4682000 1.004000 
1 1 1  -51    9   18 o   10.910   0.5238   10.370   0.7695   11.450   0.7109 -1.086000 1.048000 
1 1 1  -51    9   19 o   3.7460   1.0330   3.8790   1.4710   3.6120   1.4500 0.2674000 2.066000 
1 1 1  -51    9   20 o   5.0910   1.0620   4.7180   1.5000   5.4640   1.5040 -0.7455000 2.124000 
1 1 1  -51    9   21 o   21.920   0.3336   21.550   0.4695   22.290   0.4740 -0.7440000 0.6672000 
1 1 1  -51    9   22 o   12.210   0.5982   12.270   0.7984   12.150   0.8910 0.1108000 1.196000 
1 1 1  -51    9   23 o   12.490   0.5937   12.290   0.8041   12.680   0.8737 -0.3953000 1.187000 
1 1 1  -51    9   24 o   14.700   0.4759   14.200   0.6727   15.210   0.6733 -1.012000 0.9517000 
1 1 1  -51    9   25 o   17.150   0.4950   17.390   0.6414   16.910   0.7542 0.4846000 0.9900000 
1 1 1  -51    9   26 o   4.8370   1.1800   4.1800   1.6100   5.4940   1.7250 -1.314000 2.359000 
1 1 1  -51    9   27 o   12.910   0.5972   13.030   0.8038   12.800   0.8835 0.2292000 1.194000 
1 1 1  -51    9   28 o   6.4610   1.1040   8.0430   1.3220   4.8780   1.7680 3.165000 2.208000 
1 1 1  -51    9   29 o   10.380   0.9397   9.8320   1.3540   10.920   1.3040 -1.089000 1.879000 
1 1 1  -51    9   30 o   3.4510   1.1090   3.7350   1.6580   3.1670   1.4750 0.5672000 2.219000 
1 1 1  -51    9   31 o   2.2960   0.8134   1.7420   0.8980   2.8500   1.3570 -1.108000 1.627000 
1 1 1  -51   11    1 o   9.9620   0.9246   9.4300   1.5190   10.490   1.0550 -1.065000 1.849000 
1 1 1  -51   11    2 o   8.5540   0.6552   7.1290   0.8934   9.9780   0.9588 -2.849000 1.310000 
1 1 1  -51   11    3 o   9.2270   2.8160  ?   ?    9.2270   2.8160      ?      ? 
1 1 1  -51   11    4 o   14.910   2.0260  ?   ?    14.910   2.0260      ?      ? 
1 1 1  -51   11    6 o   13.510   1.2950   16.620   1.5030   10.400   2.1100 6.218000 2.591000 
1 1 1  -51   11    7 o   18.890   0.8746   19.200   1.2890   18.570   1.1830 0.6336000 1.749000 
1 1 1  -51   11    8 o   11.280   1.3970   13.380   1.7320   9.1720   2.1930 4.209000 2.794000 
1 1 1  -51   11    9 o   8.5300   1.6410   6.9070   2.5230   10.150   2.0980 -3.245000 3.281000 
1 1 1  -51   11   10 o   7.7010   1.5420   10.550   2.2360   4.8480   2.1240 5.707000 3.084000 
1 1 1  -51   11   11 o   12.390   0.3799   12.600   0.4001   12.170   0.6459 0.4346000 0.7598000 
1 1 1  -51   11   12 o   18.640   0.3507   19.270   0.4401   18.010   0.5462 1.254000 0.7015000 
1 1 1  -51   11   13 o   18.940   0.2952   18.650   0.4013   19.230   0.4331 -0.5782000 0.5905000 
1 1 1  -51   11   14 o   18.620   0.3215   18.910   0.4420   18.340   0.4670 0.5609000 0.6430000 
1 1 1  -51   11   15 o   20.690   0.3126   20.140   0.4458   21.240   0.4383 -1.100000 0.6252000 
1 1 1  -51   11   16 o   10.550   0.7773   11.510   1.0370   9.5940   1.1580 1.918000 1.555000 
1 1 1  -51   11   17 o   18.670   0.4747   18.730   0.6905   18.610   0.6517 0.1198000 0.9495000 
1 1 1  -51   11   18 o   9.5450   0.6584   10.680   0.7823   8.4090   1.0590 2.272000 1.317000 
1 1 1  -51   11   19 f   12.480   0.5545   12.600   0.7428   12.360   0.8234 0.2458000 1.109000 
1 1 1  -51   11   20 o   5.1040   1.0540   6.6080   1.4280   3.5990   1.5500 3.009000 2.107000 
1 1 1  -51   11   21 o   23.660   0.3388   23.580   0.4745   23.740   0.4838 -0.1596000 0.6776000 
1 1 1  -51   11   22 o   4.7930   1.1510   5.2160   1.6100   4.3700   1.6440 0.8463000 2.301000 
1 1 1  -51   11   23 o   14.030   0.5152   14.790   0.6717   13.270   0.7815 1.518000 1.030000 
1 1 1  -51   11   24 o   5.3190   1.2030   5.8060   1.5970   4.8330   1.7990 0.9733000 2.405000 
1 1 1  -51   11   25 o   4.2140   1.2090   4.2980   1.6930   4.1290   1.7270 0.1684000 2.418000 
1 1 1  -51   11   26 o   5.7590   1.1800   4.8890   1.6910   6.6280   1.6460 -1.740000 2.360000 
1 1 1  -51   11   27 o   3.2240   1.0300   3.6780   1.5690   2.7690   1.3350 0.9084000 2.060000 
1 1 1  -51   11   28 o   12.120   0.6526   13.000   0.8214   11.230   1.0140 1.769000 1.305000 
1 1 1  -51   11   29 o   4.8330   1.3210   4.4850   1.8030   5.1820   1.9300 -0.6967000 2.641000 
1 1 1  -51   11   30 f   3.7520   1.1650   4.0700   1.7220   3.4330   1.5700 0.6369000 2.330000 
1 1 1  -51   13    1 o   20.220   0.3197   20.400   0.4385   20.050   0.4654 0.3543000 0.6394000 
1 1 1  -51   13    2 o   5.6280   0.9042   5.6620   1.2070   5.5940   1.3460 0.6759000E-01 1.808000 
1 1 1  -51   13    3 o   15.610   0.6973   15.500   0.6623   15.720   1.2270 -0.2231000 1.395000 
1 1 1  -51   13    4 o   22.750   0.3875   23.190   0.5084   22.300   0.5849 0.8909000 0.7749000 
1 1 1  -51   13    5 o   7.9770   0.7677   8.6690   0.6156   7.2850   1.4070 1.385000 1.535000 
1 1 1  -51   13    6 o   8.2420   0.4823   9.1260   0.5715   7.3590   0.7770 1.768000 0.9645000 
1 1 1  -51   13    7 o   11.550   0.3465   12.040   0.4551   11.060   0.5227 0.9814000 0.6931000 
1 1 1  -51   13    8 o   8.6350   0.5913   8.8730   0.5807   8.3970   1.0300 0.4762000 1.183000 
1 1 1  -51   13    9 o   20.280   0.3671   20.420   0.5264   20.150   0.5116 0.2708000 0.7341000 
1 1 1  -51   13   10 o   7.8540   0.8568   9.8500   0.8353   5.8570   1.4960 3.992000 1.714000 
1 1 1  -51   13   11 o   18.770   0.3295   18.270   0.4564   19.270   0.4755 -0.9985000 0.6591000 
1 1 1  -51   13   12 o   20.160   0.2996   19.930   0.4029   20.390   0.4435 -0.4598000 0.5992000 
1 1 1  -51   13   13 o   18.220   0.3310   17.970   0.4412   18.460   0.4937 -0.4962000 0.6621000 
1 1 1  -51   13   14 o   20.220   0.3242   20.770   0.4281   19.680   0.4871 1.089000 0.6485000 
1 1 1  -51   13   15 o   12.500   0.7720   11.190   1.2930   13.810   0.8443 -2.613000 1.544000 
1 1 1  -51   13   16 o   6.5440   1.3650   7.3010   1.8680   5.7860   1.9910 1.515000 2.730000 
1 1 1  -51   13   17 o   14.030   0.5041   14.720   0.6300   13.340   0.7872 1.380000 1.008000 
1 1 1  -51   13   18 o   16.990   0.4011   17.460   0.5341   16.520   0.5985 0.9342000 0.8022000 
1 1 1  -51   13   19 o   3.7520   1.0500   2.8000   1.2950   4.7040   1.6540 -1.904000 2.100000 
1 1 1  -51   13   20 o   10.710   0.6441   10.580   0.8809   10.830   0.9398 -0.2481000 1.288000 
1 1 1  -51   13   21 o   9.0910   0.7908   8.5460   1.1460   9.6360   1.0900 -1.090000 1.582000 
1 1 1  -51   13   22 o   11.560   0.6309   11.720   0.8566   11.400   0.9264 0.3218000 1.262000 
1 1 1  -51   13   23 o   4.3530   1.0870   5.7030   1.6540   3.0030   1.4120 2.699000 2.174000 
1 1 1  -51   13   24 o   3.3490   1.0770   2.4770   1.2230   4.2210   1.7740 -1.744000 2.155000 
1 1 1  -51   13   25 o   3.8720   1.1250   2.9530   1.3860   4.7910   1.7720 -1.838000 2.250000 
1 1 1  -51   13   26 o   4.5840   1.1900   3.7290   1.5900   5.4390   1.7710 -1.709000 2.380000 
1 1 1  -51   13   27 o   3.0260   1.0020   3.0670   1.4250   2.9850   1.4100 0.8152000E-01 2.004000 
1 1 1  -51   13   28 o   3.1280   1.0450   2.7880   1.3540   3.4680   1.5940 -0.6807000 2.091000 
1 1 1  -51   13   29 f   5.8680   1.4910   5.0850   2.0460   6.6500   2.1700 -1.565000 2.983000 
1 1 1  -51   15    1 o   8.1710   0.7910   9.0800   0.9463   7.2610   1.2680 1.819000 1.582000 
1 1 1  -51   15    2 o   14.130   0.4386   14.630   0.5951   13.640   0.6445 0.9858000 0.8772000 
1 1 1  -51   15    3 o   11.380   0.5034   10.810   0.7330   11.960   0.6901 -1.147000 1.007000 
1 1 1  -51   15    4 o   15.660   0.3797   15.350   0.5076   15.970   0.5649 -0.6199000 0.7595000 
1 1 1  -51   15    5 o   10.300   0.5364   11.120   0.6587   9.4700   0.8467 1.650000 1.073000 
1 1 1  -51   15    6 o   15.740   0.3675   15.780   0.4924   15.700   0.5458 0.7590000E-01 0.7351000 
1 1 1  -51   15    7 o   8.3270   0.6495   7.7760   0.9268   8.8770   0.9102 -1.101000 1.299000 
1 1 1  -51   15    8 o   10.090   0.5941   10.620   0.7326   9.5500   0.9355 1.070000 1.188000 
1 1 1  -51   15    9 o   11.830   0.5208   12.030   0.6625   11.640   0.8037 0.3825000 1.042000 
1 1 1  -51   15   10 o   16.210   0.4045   16.280   0.5296   16.140   0.6116 0.1398000 0.8091000 
1 1 1  -51   15   11 o   5.1120   1.1200   4.9420   1.5660   5.2810   1.6030 -0.3386000 2.240000 
1 1 1  -51   15   12 o   8.4760   0.7865   8.6920   1.0580   8.2590   1.1640 0.4325000 1.573000 
1 1 1  -51   15   13 o   12.410   0.6883   12.430   0.8031   12.390   1.1180 0.3738000E-01 1.377000 
1 1 1  -51   15   14 o   15.330   0.6968   14.990   1.1420   15.660   0.7992 -0.6672000 1.394000 
1 1 1  -51   15   15 o   3.4370   1.0620   3.5270   1.5340   3.3460   1.4700 0.1816000 2.125000 
1 1 1  -51   15   16 o   5.3640   1.1010   4.6630   1.5220   6.0650   1.5910 -1.403000 2.202000 
1 1 1  -51   15   17 o   13.610   0.5192   14.180   0.6796   13.040   0.7852 1.137000 1.038000 
1 1 1  -51   15   18 o   10.030   0.7226   11.280   0.8399   8.7780   1.1760 2.497000 1.445000 
1 1 1  -51   15   19 o   6.1180   1.1300   6.4040   1.5190   5.8320   1.6740 0.5726000 2.260000 
1 1 1  -51   15   20 o   15.230   0.5012   15.620   0.6642   14.850   0.7506 0.7680000 1.002000 
1 1 1  -51   15   21 o   12.130   0.6294   12.120   0.8601   12.140   0.9192 -0.2431000E-01 1.259000 
1 1 1  -51   15   22 o   5.0370   1.2020   5.7240   1.6820   4.3510   1.7180 1.374000 2.404000 
1 1 1  -51   15   23 f   14.480   0.6353   14.210   0.8703   14.740   0.9256 -0.5263000 1.271000 
1 1 1  -51   15   24 o   5.8920   1.2580   5.1980   1.8160   6.5870   1.7410 -1.388000 2.515000 
1 1 1  -51   15   25 o   17.070   0.4947   16.380   0.7080   17.770   0.6911 -1.386000 0.9894000 
1 1 1  -51   15   26 o   4.2120   1.2290   5.0570   1.8900   3.3670   1.5710 1.690000 2.458000 
1 1 1  -51   15   27 o   2.7220   0.9443   2.5730   1.2740   2.8710   1.3940 -0.2979000 1.889000 
1 1 1  -51   15   28 o   2.4580   0.8773   2.3180   1.1850   2.5970   1.2940 -0.2786000 1.755000 
1 1 1  -51   17    1 o   4.5210   1.1450   4.5480   1.6470   4.4930   1.5920 0.5431000E-01 2.290000 
1 1 1  -51   17    2 o   8.9250   0.8569   9.2640   1.0520   8.5860   1.3530 0.6779000 1.714000 
1 1 1  -51   17    3 o   4.7890   1.0300   6.5160   1.4860   3.0610   1.4270 3.455000 2.060000 
1 1 1  -51   17    4 o   18.080   0.4699   17.700   0.6191   18.470   0.7071 -0.7717000 0.9398000 
1 1 1  -51   17    5 o   15.500   0.4268   15.570   0.5755   15.420   0.6303 0.1545000 0.8535000 
1 1 1  -51   17    6 o   7.2510   0.9073   8.2570   1.0550   6.2450   1.4770 2.012000 1.815000 
1 1 1  -51   17    7 o   10.560   0.6237   10.580   0.8440   10.530   0.9185 0.5055000E-01 1.247000 
1 1 1  -51   17    8 o   9.8740   0.6762   10.640   0.8454   9.1060   1.0560 1.535000 1.352000 
1 1 1  -51   17    9 o   13.660   0.5437   14.400   0.6102   12.920   0.9002 1.477000 1.087000 
1 1 1  -51   17   10 o   6.6850   1.1440   7.0870   1.4880   6.2830   1.7390 0.8040000 2.289000 
1 1 1  -51   17   11 o   9.1410   0.8482   8.9100   1.1820   9.3720   1.2160 -0.4627000 1.696000 
1 1 1  -51   17   12 o   16.680   0.4982   16.450   0.6827   16.900   0.7258 -0.4511000 0.9965000 
1 1 1  -51   17   13 o   4.3350   1.1320   4.0310   1.5370   4.6390   1.6630 -0.6073000 2.264000 
1 1 1  -51   17   14 o   3.2500   1.0240   3.1120   1.4010   3.3890   1.4930 -0.2767000 2.048000 
1 1 1  -51   17   15 o   3.9640   1.1570   4.2480   1.7050   3.6790   1.5640 0.5688000 2.313000 
1 1 1  -51   17   16 o   3.6330   1.1190   3.4820   1.5600   3.7830   1.6050 -0.3005000 2.238000 
1 1 1  -51   17   17 o   7.6050   1.0850   9.0560   1.3680   6.1540   1.6850 2.902000 2.170000 
1 1 1  -51   17   18 o   12.550   0.7938   13.350   1.2500   11.750   0.9792 1.596000 1.588000 
1 1 1  -51   17   19 o   9.7530   0.8950   9.2980   1.3530   10.210   1.1720 -0.9096000 1.790000 
1 1 1  -51   17   20 o   8.7980   0.9483   9.6460   1.1480   7.9500   1.5090 1.696000 1.897000 
1 1 1  -51   17   21 f   11.030   0.7337   10.780   1.0360   11.290   1.0400 -0.5089000 1.467000 
1 1 1  -51   17   22 o   15.440   0.6140   16.560   0.7739   14.310   0.9534 2.259000 1.228000 
1 1 1  -51   17   23 o   5.7680   1.2320   4.5490   1.8020   6.9870   1.6820 -2.438000 2.465000 
1 1 1  -51   17   24 o   11.950   0.8194   11.780   1.1840   12.120   1.1330 -0.3378000 1.639000 
1 1 1  -51   17   25 o   7.4140   1.1470   9.2540   1.2430   5.5750   1.9290 3.679000 2.295000 
1 1 1  -51   17   26 o   3.7470   1.1320   3.3250   1.5060   4.1690   1.6910 -0.8433000 2.264000 
1 1 1  -51   17   27 o   2.2190   0.7989   2.2130   1.1220   2.2240   1.1370 -0.1072000E-01 1.598000 
1 1 1  -51   19    1 o   4.1080   1.1260   4.2600   1.5860   3.9550   1.6000 0.3049000 2.253000 
1 1 1  -51   19    2 o   8.3570   0.8517   9.3100   0.9870   7.4050   1.3880 1.904000 1.703000 
1 1 1  -51   19    3 o   9.0140   0.7965   8.0450   1.2740   9.9830   0.9560 -1.938000 1.593000 
1 1 1  -51   19    4 o   5.0720   1.0750   6.5130   1.4560   3.6320   1.5810 2.880000 2.149000 
1 1 1  -51   19    5 f   11.070   0.6357   11.670   0.8156   10.470   0.9754 1.207000 1.271000 
1 1 1  -51   19    6 o   8.9450   0.8465   10.530   0.9092   7.3580   1.4280 3.174000 1.693000 
1 1 1  -51   19    7 o   10.300   0.7062   10.530   0.9353   10.080   1.0580 0.4474000 1.412000 
1 1 1  -51   19    8 o   3.5880   1.0870   3.2910   1.4530   3.8850   1.6160 -0.5946000 2.173000 
1 1 1  -51   19    9 o   11.120   0.6806   12.990   0.7423   9.2530   1.1410 3.742000 1.361000 
1 1 1  -51   19   10 o   5.3340   1.0260   3.2420   1.4380   7.4250   1.4630 -4.183000 2.051000 
1 1 1  -51   19   11 o   5.9500   1.1050   5.1300   1.6090   6.7690   1.5140 -1.638000 2.209000 
1 1 1  -51   19   12 o   16.780   0.4448   17.410   0.5848   16.160   0.6704 1.250000 0.8896000 
1 1 1  -51   19   13 o   22.160   0.3749   22.110   0.5112   22.220   0.5486 -0.1172000 0.7498000 
1 1 1  -51   19   14 o   9.1990   0.8252  10.0000   1.0250   8.3970   1.2940 1.604000 1.650000 
1 1 1  -51   19   15 o   7.1680   1.0500   6.4530   1.5530   7.8830   1.4150 -1.431000 2.101000 
1 1 1  -51   19   16 o   4.9160   1.2150   4.8850   1.6870   4.9480   1.7500 -0.6329000E-01 2.431000 
1 1 1  -51   19   17 o   13.720   0.5634   14.190   0.7280   13.240   0.8600 0.9434000 1.127000 
1 1 1  -51   19   18 o   9.5170   0.8637   9.8770   1.2120   9.1580   1.2310 0.7193000 1.727000 
1 1 1  -51   19   19 o   7.9800   1.1500   7.4730   1.8370   8.4860   1.3830 -1.013000 2.299000 
1 1 1  -51   19   20 o   5.7150   1.3260   5.2090   1.9780   6.2220   1.7660 -1.012000 2.651000 
1 1 1  -51   19   21 o   6.0740   1.5450   6.9970   2.3090   5.1520   2.0530 1.845000 3.090000 
1 1 1  -51   19   22 o   3.5530   1.1990   4.0220   1.8840   3.0850   1.4840 0.9369000 2.399000 
1 1 1  -51   19   23 o   2.4590   0.8605   2.7410   1.3270   2.1770   1.0960 0.5637000 1.721000 
1 1 1  -51   19   24 o   2.7940   0.9459   3.2570   1.4920   2.3310   1.1640 0.9252000 1.892000 
1 1 1  -51   19   25 o   3.0890   1.0110   2.6920   1.3020   3.4860   1.5460 -0.7940000 2.022000 
1 1 1  -51   21    1 f   7.2730   1.0610   7.2310   1.4900   7.3160   1.5100 -0.8493000E-01 2.122000 
1 1 1  -51   21    2 o   12.340   0.6172   11.580   0.9175   13.100   0.8258 -1.526000 1.234000 
1 1 1  -51   21    3 o   13.790   0.5555   14.200   0.7613   13.370   0.8093 0.8284000 1.111000 
1 1 1  -51   21    4 o   5.7830   1.2060   6.5630   1.5950   5.0040   1.8100 1.559000 2.413000 
1 1 1  -51   21    5 o   8.5260   0.9649   9.9260   1.0890   7.1260   1.5940 2.800000 1.930000 
1 1 1  -51   21    6 o   6.5890   1.1640   6.6600   1.5880   6.5190   1.7030 0.1409000 2.328000 
1 1 1  -51   21    7 o   6.0090   1.1300   7.3860   1.4630   4.6320   1.7230 2.754000 2.261000 
1 1 1  -51   21    8 o   3.6090   1.1060   3.4330   1.5200   3.7850   1.6060 -0.3521000 2.212000 
1 1 1  -51   21    9 o   4.3180   1.1650   3.7470   1.5760   4.8890   1.7160 -1.142000 2.330000 
1 1 1  -51   21   10 o   7.8520   0.9802   8.8020   1.1830   6.9020   1.5630 1.901000 1.960000 
1 1 1  -51   21   11 o   8.4900   0.9178   8.3920   1.2950   8.5870   1.3010 -0.1955000 1.836000 
1 1 1  -51   21   12 o   10.450   0.7455   11.120   0.9511   9.7860   1.1480 1.336000 1.491000 
1 1 1  -51   21   13 o   8.4480   0.9433   9.0590   1.1790   7.8380   1.4730 1.221000 1.887000 
1 1 1  -51   21   14 o   9.7210   0.8079   8.8440   1.2290   10.600   1.0490 -1.755000 1.616000 
1 1 1  -51   21   15 o   6.9540   1.1380   6.8060   1.6220   7.1020   1.5970 -0.2962000 2.276000 
1 1 1  -51   21   16 o   9.6540   0.9855   10.940   1.1790   8.3730   1.5800 2.563000 1.971000 
1 1 1  -51   21   17 o   10.490   0.8943   11.560   1.1270   9.4130   1.3890 2.145000 1.789000 
1 1 1  -51   21   18 o   6.4980   1.8570   6.4980   1.8570  ?   ?       ?      ? 
1 1 1  -51   21   19 o   3.3080   1.0920   3.3180   1.5410   3.2970   1.5470 0.2111000E-01 2.184000 
1 1 1  -51   21   20 f   6.4260   1.2570   6.7090   1.8260   6.1420   1.7290 0.5672000 2.515000 
1 1 1  -51   21   21 o   3.0230   1.0110   3.0800   1.4600   2.9660   1.3980 0.1139000 2.021000 
1 1 1  -51   21   22 o   2.6320   0.9227   2.7670   1.3780   2.4970   1.2270 0.2697000 1.845000 
1 1 1  -51   21   23 o   2.2470   0.8226   2.3260   1.2020   2.1680   1.1230 0.1579000 1.645000 
1 1 1  -51   23    1 o   4.4930   1.2570   4.1340   1.7250   4.8520   1.8280 -0.7175000 2.514000 
1 1 1  -51   23    2 f   4.7730   1.2530   5.5630   1.8370   3.9820   1.7050 1.582000 2.506000 
1 1 1  -51   23    3 o   9.8050   0.8991   9.9070   1.2620   9.7040   1.2810 0.2026000 1.798000 
1 1 1  -51   23    4 o   4.9170   1.3150   5.2420   1.8460   4.5920   1.8730 0.6506000 2.630000 
1 1 1  -51   23    5 o   4.7880   1.2050   3.3430   1.5500   6.2320   1.8450 -2.889000 2.409000 
1 1 1  -51   23    6 o   9.4140   0.9773   9.1960   1.4020   9.6320   1.3620 -0.4351000 1.955000 
1 1 1  -51   23    7 o   13.910   0.6537   13.970   0.9151   13.850   0.9338 0.1217000 1.307000 
1 1 1  -51   23    8 o   10.680   0.9752   12.480   1.0320   8.8840   1.6550 3.595000 1.950000 
1 1 1  -51   23    9 o   13.080   0.6964   13.500   0.9426   12.660   1.0250 0.8406000 1.393000 
1 1 1  -51   23   10 o   5.2680   1.2830   6.2270   1.8390   4.3100   1.7910 1.918000 2.567000 
1 1 1  -51   23   11 o   6.0520   1.2050   7.6970   1.6270   4.4070   1.7770 3.290000 2.409000 
1 1 1  -51   23   12 o   5.8560   1.3140   5.9180   1.8600   5.7940   1.8550 0.1244000 2.627000 
1 1 1  -51   23   13 o   12.080   0.6555   12.770   0.8625   11.380   0.9872 1.393000 1.311000 
1 1 1  -51   23   14 o   7.1210   1.1210   7.5780   1.5080   6.6640   1.6590 0.9138000 2.242000 
1 1 1  -51   23   15 o   5.9660   1.2270   7.1200   1.5620   4.8110   1.8920 2.309000 2.454000 
1 1 1  -51   23   16 o   3.9440   1.2070   4.4340   1.8120   3.4540   1.5930 0.9803000 2.413000 
1 1 1  -51   23   17 o   3.7660   1.1870   4.0070   1.7390   3.5250   1.6160 0.4821000 2.374000 
1 1 1  -51   23   18 o   7.0450   1.1870   7.0510   1.7470   7.0390   1.6090 0.1127000E-01 2.375000 
1 1 1  -51   23   19 o   2.6120   0.8968   2.8500   1.3550   2.3750   1.1750 0.4747000 1.794000 
1 1 1  -51   23   20 o   2.1560   1.1160  ?   ?    2.1560   1.1160      ?      ? 
1 1 1  -51   25    1 o   4.2300   1.2940   4.4770   1.8650   3.9830   1.7920 0.4942000 2.587000 
1 1 1  -51   25    2 o   3.9190   1.2400   3.3770   1.5870   4.4620   1.9050 -1.085000 2.480000 
1 1 1  -51   25    3 o   4.7710   1.3430   3.9090   1.7400   5.6320   2.0460 -1.723000 2.686000 
1 1 1  -51   25    4 o   5.8140   1.3980   4.0910   1.7730   7.5370   2.1620 -3.446000 2.796000 
1 1 1  -51   25    5 o   3.8050   1.1900   3.8260   1.6240   3.7850   1.7390 0.4091000E-01 2.380000 
1 1 1  -51   25    6 o   4.3720   1.1850   5.3590   1.7450   3.3850   1.6050 1.974000 2.371000 
1 1 1  -51   25    7 o   3.4860   1.0790   4.2460   1.6810   2.7260   1.3520 1.520000 2.158000 
1 1 1  -51   25    8 o   4.7770   1.2740   5.2220   1.7520   4.3320   1.8500 0.8906000 2.548000 
1 1 1  -51   25    9 o   2.6270   0.9242   2.5120   1.2560   2.7430   1.3560 -0.2313000 1.848000 
1 1 1  -51   25   10 o   2.7570   0.9575   3.2340   1.5260   2.2800   1.1560 0.9540000 1.915000 
1 1 1  -51   25   11 o   3.1070   1.0510   3.4250   1.5910   2.7900   1.3740 0.6350000 2.103000 
1 1 1  -51   25   12 o   2.4370   0.8652   2.2940   1.1590   2.5800   1.2850 -0.2852000 1.730000 
1 1 1  -51   25   13 o   10.430   0.9446   11.850   1.1170   9.0110   1.5240 2.844000 1.889000 
1 1 1  -51   25   14 o   3.2200   1.0560   3.8830   1.7030   2.5580   1.2500 1.325000 2.112000 
1 1 1  -51   25   15 o   2.2590   0.7980   2.2910   1.1430   2.2280   1.1140 0.6285000E-01 1.596000 
1 1 1  -51   25   16 o   2.3050   0.8412   2.3630   1.2210   2.2480   1.1570 0.1151000 1.682000 
1 1 1  -51   27    1 o   2.5570   0.8958   2.5070   1.2440   2.6080   1.2900 -0.1006000 1.792000 
1 1 1  -51   27    2 o   3.1300   1.0420   3.5440   1.6030   2.7160   1.3310 0.8280000 2.084000 
1 1 1  -51   27    3 o   3.8120   1.1750   3.9580   1.6890   3.6670   1.6330 0.2909000 2.349000 
1 1 1  -51   27    4 f   3.6530   1.1440   3.0980   1.4650   4.2080   1.7580 -1.110000 2.289000 
1 1 1  -51   27    5 o   5.1770   1.3180   5.4180   1.8490   4.9370   1.8800 0.4805000 2.637000 
1 1 1  -51   27    6 o   2.6880   0.9309   2.7330   1.3330   2.6420   1.3000 0.9166000E-01 1.862000 
1 1 1  -51   27    7 o   2.5180   0.8830   2.4210   1.2080   2.6150   1.2890 -0.1934000 1.766000 
1 1 1  -51   27    8 o   2.0700   0.7467   2.2810   1.1480   1.8590   0.9549 0.4219000 1.493000 
1 1 1  -50    0    1 o   1.5520   1.1150   1.5520   1.1150   1.5520   1.1150 0.000000 0.000000 
1 1 1  -50    0    2 o   16.560   0.5336   16.560   0.5336   16.560   0.5336 0.000000 0.000000 
1 1 1  -50    0    3 o   29.200   0.4022   29.200   0.4022   29.200   0.4022 -0.000000 0.000000 
1 1 1  -50    0    4 o   22.520   0.4216   22.520   0.4216   22.520   0.4216 -0.000000 0.000000 
1 1 1  -50    0    5 o   40.900   0.4243   40.900   0.4243   40.900   0.4243 0.000000 0.000000 
1 1 1  -50    0    6 o   40.820   0.4239   40.820   0.4239   40.820   0.4239 -0.000000 0.000000 
1 1 1  -50    0    7 o   41.560   0.4258   41.560   0.4258   41.560   0.4258 0.000000 0.000000 
1 1 1  -50    0    8 o   11.180   0.5843   11.180   0.5843   11.180   0.5843 0.000000 0.000000 
1 1 1  -50    0    9 o   13.350   0.4913   13.350   0.4913   13.350   0.4913 -0.000000 0.000000 
1 1 1  -50    0   10 f   8.7090   0.7271   8.7090   0.7271   8.7090   0.7271 0.000000 0.000000 
1 1 1  -50    0   11 o   23.160   0.3596   23.160   0.3596   23.160   0.3596 -0.000000 0.000000 
1 1 1  -50    0   12 o   21.370   0.4221   21.370   0.4221   21.370   0.4221 -0.000000 0.000000 
1 1 1  -50    0   13 o   35.170   0.5231   35.170   0.5231   35.170   0.5231 0.000000 0.000000 
1 1 1  -50    0   14 o   25.100   0.4904   25.100   0.4904   25.100   0.4904 -0.000000 0.000000 
1 1 1  -50    0   15 o   20.420   0.3943   20.420   0.3943   20.420   0.3943 -0.000000 0.000000 
1 1 1  -50    0   16 o   41.320   0.4232   41.320   0.4232   41.320   0.4232 0.000000 0.000000 
1 1 1  -50    0   17 o   20.770   0.4004   20.770   0.4004   20.770   0.4004 -0.000000 0.000000 
1 1 1  -50    0   18 o   17.430   0.4515   17.430   0.4515   17.430   0.4515 0.000000 0.000000 
1 1 1  -50    0   19 o   15.870   0.4907   15.870   0.4907   15.870   0.4907 0.000000 0.000000 
1 1 1  -50    0   20 o   21.290   0.4205   21.290   0.4205   21.290   0.4205 -0.000000 0.000000 
1 1 1  -50    0   21 o   8.1250   0.9621   8.1250   0.9621   8.1250   0.9621 0.000000 0.000000 
1 1 1  -50    0   22 o   13.540   0.6205   13.540   0.6205   13.540   0.6205 0.000000 0.000000 
1 1 1  -50    0   23 o   7.9880   1.5850   7.9880   1.5850   7.9880   1.5850 0.000000 0.000000 
1 1 1  -50    0   24 o   8.2670   1.0920   8.2670   1.0920   8.2670   1.0920 -0.000000 0.000000 
1 1 1  -50    0   25 f   19.720   0.4928   19.720   0.4928   19.720   0.4928 -0.000000 0.000000 
1 1 1  -50    0   26 o   1.5320   1.1100   1.5320   1.1100   1.5320   1.1100 -0.000000 0.000000 
1 1 1  -50    0   27 o   9.2190   1.1060   9.2190   1.1060   9.2190   1.1060 -0.000000 0.000000 
1 1 1  -50    0   28 o   3.3220   2.1180   3.3220   2.1180   3.3220   2.1180 -0.000000 0.000000 
1 1 1  -50    0   29 o   21.930   0.5501   21.930   0.5501   21.930   0.5501 -0.000000 0.000000 
1 1 1  -50    0   30 o   3.2530   1.9210   3.2530   1.9210   3.2530   1.9210 0.000000 0.000000 
1 1 1  -50    0   31 o   2.1240   1.4680   2.1240   1.4680   2.1240   1.4680 0.000000 0.000000 
1 1 1  -50    0   32 o   1.9030   1.3460   1.9030   1.3460   1.9030   1.3460 -0.000000 0.000000 
1 1 1  -50    0   33 o   11.950   0.9241   11.950   0.9241   11.950   0.9241 0.000000 0.000000 
1 1 1  -50    2    1 o   35.270   0.3263   35.410   0.4683   35.130   0.4546 0.2873000 0.6527000 
1 1 1  -50    2    2 o   32.640   0.4348  ?   ?    32.640   0.4348      ?      ? 
1 1 1  -50    2    3 f   31.450   0.3881   31.760   0.5541   31.150   0.5435 0.6043000 0.7762000 
1 1 1  -50    2    4 o   41.610   0.3546   41.730   0.4967   41.480   0.5062 0.2431000 0.7092000 
1 1 1  -50    2    5 o   40.660   0.3136   41.270   0.4189   40.050   0.4668 1.218000 0.6272000 
1 1 1  -50    2    6 o   42.310   0.3235   42.080   0.4838   42.540   0.4297 -0.4630000 0.6471000 
1 1 1  -50    2    7 o   14.150   0.3118   14.100   0.4539   14.200   0.4276 -0.1022000 0.6236000 
1 1 1  -50    2    8 f   17.230   0.3841   17.930   0.3966   16.520   0.6578 1.413000 0.7681000 
1 1 1  -50    2    9 o   24.650   0.3552   24.390   0.4809   24.900   0.5229 -0.5073000 0.7104000 
1 1 1  -50    2   10 o   26.750   0.3104   27.120   0.4858   26.390   0.3865 0.7240000 0.6208000 
1 1 1  -50    2   11 o   14.440   0.3608   14.860   0.5207   14.010   0.4995 0.8502000 0.7216000 
1 1 1  -50    2   12 o   18.470   0.2860   18.730   0.4113   18.200   0.3976 0.5366000 0.5721000 
1 1 1  -50    2   13 o   12.200   0.4011   12.430   0.5818   11.960   0.5524 0.4633000 0.8022000 
1 1 1  -50    2   14 o   20.500   0.2783   20.470   0.4030   20.540   0.3839 -0.7631000E-01 0.5566000 
1 1 1  -50    2   15 o   15.770   0.3898   15.080   0.5826   16.450   0.5179 -1.367000 0.7795000 
1 1 1  -50    2   16 o   17.570   0.3086   17.540   0.4380   17.590   0.4347 -0.5579000E-01 0.6171000 
1 1 1  -50    2   17 o   6.5830   0.7718   6.6720   1.0840   6.4950   1.0990 0.1774000 1.544000 
1 1 1  -50    2   18 o   21.000   0.2888   21.070   0.4094   20.930   0.4075 0.1428000 0.5777000 
1 1 1  -50    2   19 o   13.850   0.3888   13.790   0.5568   13.910   0.5427 -0.1212000 0.7775000 
1 1 1  -50    2   20 o   9.7230   0.5534   9.8270   0.7629   9.6190   0.8019 0.2082000 1.107000 
1 1 1  -50    2   21 o   32.190   0.2838   32.040   0.4009   32.350   0.4018 -0.3096000 0.5675000 
1 1 1  -50    2   22 o   8.2860   0.8162   8.0060   1.2510   8.5660   1.0480 -0.5599000 1.632000 
1 1 1  -50    2   23 o   8.7230   0.6720   8.6010   0.9511   8.8460   0.9496 -0.2446000 1.344000 
1 1 1  -50    2   24 o   8.7920   0.7774   8.1620   1.1160   9.4220   1.0830 -1.260000 1.555000 
1 1 1  -50    2   25 f   10.010   0.6296   9.8700   0.8908   10.150   0.8899 -0.2776000 1.259000 
1 1 1  -50    2   26 o   19.450   0.3770   20.110   0.5188   18.790   0.5472 1.323000 0.7540000 
1 1 1  -50    2   27 o   15.170   0.5506   14.280   0.8023   16.060   0.7543 -1.779000 1.101000 
1 1 1  -50    2   28 o   8.4680   1.0810   8.1080   1.6140   8.8280   1.4380 -0.7199000 2.162000 
1 1 1  -50    2   29 o   11.240   0.8363   11.090   1.2080   11.390   1.1570 -0.2982000 1.673000 
1 1 1  -50    2   30 o   9.2510   0.8679   9.1740   1.2280   9.3270   1.2270 -0.1526000 1.736000 
1 1 1  -50    2   31 o   3.1860   1.0270   3.9010   1.6530   2.4710   1.2190 1.430000 2.054000 
1 1 1  -50    2   32 o   5.2810   1.2320   5.8070   1.7360   4.7540   1.7480 1.054000 2.464000 
1 1 1  -50    2   33 o   2.8340   0.9575   2.6850   1.3040   2.9830   1.4020 -0.2979000 1.915000 
1 1 1  -50    4    1 o   15.470   0.3874   15.870   0.5736   15.080   0.5211 0.7922000 0.7749000 
1 1 1  -50    4    2 o   26.950   0.2968   26.130   0.3612   27.760   0.4711 -1.632000 0.5937000 
1 1 1  -50    4    3 o   22.660   0.5200   21.600   0.6853   23.730   0.7823 -2.127000 1.040000 
1 1 1  -50    4    4 o   9.5100   1.1930   10.720   1.2570   8.2980   2.0290 2.424000 2.387000 
1 1 1  -50    4    5 o   19.300   0.5817   19.240   0.7507   19.360   0.8887 -0.1162000 1.163000 
1 1 1  -50    4    6 o   29.360   0.4549   29.130   0.6041   29.600   0.6802 -0.4685000 0.9097000 
1 1 1  -50    4    7 o   18.250   0.5363   17.630   0.7545   18.880   0.7625 -1.246000 1.073000 
1 1 1  -50    4    8 o   7.6440   1.1810   8.0550   1.5310   7.2330   1.8000 0.8215000 2.363000 
1 1 1  -50    4    9 o   29.390   0.4126   29.580   0.5719   29.200   0.5948 0.3859000 0.8251000 
1 1 1  -50    4   10 o   30.630   0.2511   30.520   0.3550   30.740   0.3551 -0.2169000 0.5021000 
1 1 1  -50    4   11 o   8.6820   0.6702   9.6030   0.7792   7.7610   1.0910 1.842000 1.340000 
1 1 1  -50    4   12 o   12.440   0.4278   12.270   0.6704   12.610   0.5316 -0.3473000 0.8556000 
1 1 1  -50    4   13 o   10.380   0.4753   10.020   0.7175   10.750   0.6236 -0.7279000 0.9506000 
1 1 1  -50    4   14 o   16.550   0.3211   16.650   0.4670   16.440   0.4408 0.2099000 0.6421000 
1 1 1  -50    4   15 o   13.820   0.3815   13.740   0.5590   13.900   0.5195 -0.1563000 0.7631000 
1 1 1  -50    4   16 o   10.950   0.5763   10.950   0.8270   10.940   0.8027 0.1111000E-02 1.153000 
1 1 1  -50    4   17 o   7.5410   0.6860   7.6440   0.9418   7.4380   0.9979 0.2065000 1.372000 
1 1 1  -50    4   18 o   9.9770   0.5233   10.010   0.7221   9.9400   0.7575 0.7491000E-01 1.047000 
1 1 1  -50    4   19 o   40.240   0.3044   40.090   0.4318   40.380   0.4291 -0.2843000 0.6088000 
1 1 1  -50    4   20 f   22.270   0.3448   22.550   0.4973   21.990   0.4776 0.5575000 0.6895000 
1 1 1  -50    4   21 o   6.4680   1.0190   5.8270   1.5640   7.1100   1.3070 -1.283000 2.038000 
1 1 1  -50    4   22 o   13.930   0.4261   13.710   0.6020   14.140   0.6031 -0.4292000 0.8521000 
1 1 1  -50    4   23 o   5.5890   1.0150   5.1820   1.4780   5.9970   1.3920 -0.8154000 2.030000 
1 1 1  -50    4   24 o   7.4240   0.9486   6.7050   1.3880   8.1430   1.2930 -1.438000 1.897000 
1 1 1  -50    4   25 o   5.5100   1.0940   4.5690   1.6340   6.4520   1.4550 -1.882000 2.188000 
1 1 1  -50    4   26 o   4.3580   1.2040   4.3110   1.6770   4.4060   1.7290 -0.9518000E-01 2.409000 
1 1 1  -50    4   27 o   7.7530   0.9346   7.2660   1.3670   8.2410   1.2740 -0.9752000 1.869000 
1 1 1  -50    4   28 o   8.8770   0.8434   8.4920   1.2210   9.2610   1.1640 -0.7693000 1.687000 
1 1 1  -50    4   29 f   7.4940   1.3170   8.5540   1.5800   6.4330   2.1080 2.121000 2.634000 
1 1 1  -50    4   30 f   9.0290   0.8913   9.4960   1.1730   8.5620   1.3430 0.9347000 1.783000 
1 1 1  -50    4   31 o   16.220   0.5082   16.270   0.6962   16.160   0.7407 0.1096000 1.016000 
1 1 1  -50    4   32 o   3.0000   0.9921   2.5650   1.2500   3.4360   1.5410 -0.8707000 1.984000 
1 1 1  -50    4   33 o   2.9550   0.9761   2.4120   1.1900   3.4980   1.5480 -1.086000 1.952000 
1 1 1  -50    6    1 o   6.6910   0.6862   5.9130   1.1110   7.4690   0.8053 -1.555000 1.372000 
1 1 1  -50    6    2 o   18.050   0.6639   18.550   0.8509   17.550   1.0190 1.000000 1.328000 
1 1 1  -50    6    3 o   12.490   0.9228   12.770   1.1420   12.220   1.4500 0.5453000 1.846000 
1 1 1  -50    6    4 o   36.090   0.4716   36.360   0.6339   35.830   0.6984 0.5305000 0.9432000 
1 1 1  -50    6    5 o   39.670   0.4756   40.950   0.6499   38.380   0.6946 2.575000 0.9512000 
1 1 1  -50    6    6 o   13.560   0.7701   12.890   1.1160   14.230   1.0620 -1.332000 1.540000 
1 1 1  -50    6    7 o   20.310   0.5199   20.380   0.7369   20.240   0.7336 0.1451000 1.040000 
1 1 1  -50    6    8 o   13.630   0.7100   12.420   1.0790   14.840   0.9228 -2.413000 1.420000 
1 1 1  -50    6    9 o   20.070   0.5088   20.110   0.7111   20.030   0.7280 0.8102000E-01 1.018000 
1 1 1  -50    6   10 o   24.120   0.4498   23.470   0.6389   24.760   0.6333 -1.294000 0.8996000 
1 1 1  -50    6   11 o   4.6090   1.2820   4.5810   1.7950   4.6370   1.8300 -0.5687000E-01 2.563000 
1 1 1  -50    6   12 o   41.840   0.3539   41.780   0.4978   41.910   0.5032 -0.1248000 0.7078000 
1 1 1  -50    6   13 o   15.200   0.3459   15.530   0.4842   14.880   0.4942 0.6514000 0.6919000 
1 1 1  -50    6   14 o   18.660   0.3014   19.050   0.4304   18.280   0.4220 0.7680000 0.6027000 
1 1 1  -50    6   15 o   16.590   0.3328   16.530   0.4811   16.640   0.4599 -0.1054000 0.6656000 
1 1 1  -50    6   16 o   22.690   0.3213   22.850   0.4146   22.520   0.4910 0.3302000 0.6427000 
1 1 1  -50    6   17 o   25.560   0.3422   25.600   0.4944   25.520   0.4733 0.7935000E-01 0.6844000 
1 1 1  -50    6   18 o   9.0060   0.6827   8.8350   1.0000   9.1770   0.9293 -0.3420000 1.365000 
1 1 1  -50    6   19 o   17.100   0.4070   16.890   0.5924   17.310   0.5583 -0.4200000 0.8141000 
1 1 1  -50    6   20 o   19.760   0.3239   19.350   0.4610   20.170   0.4549 -0.8277000 0.6477000 
1 1 1  -50    6   21 o   15.120   0.4016   14.840   0.5678   15.400   0.5680 -0.5664000 0.8032000 
1 1 1  -50    6   22 o   10.780   0.5498   10.130   0.8095   11.420   0.7442 -1.287000 1.100000 
1 1 1  -50    6   23 o   11.270   0.5517   12.250   0.7059   10.290   0.8482 1.952000 1.103000 
1 1 1  -50    6   24 o   15.170   0.4717   14.520   0.6261   15.830   0.7057 -1.312000 0.9434000 
1 1 1  -50    6   25 o   5.5930   1.2870   6.1330   1.7010   5.0540   1.9300 1.079000 2.573000 
1 1 1  -50    6   26 o   3.8900   1.0950   3.1380   1.4050   4.6420   1.6800 -1.504000 2.190000 
1 1 1  -50    6   27 o   14.930   0.5233   15.210   0.7277   14.640   0.7522 0.5651000 1.047000 
1 1 1  -50    6   28 o   3.0420   0.9996   2.6700   1.2800   3.4150   1.5350 -0.7447000 1.999000 
1 1 1  -50    6   29 o   14.250   0.6714   13.360   0.9779   15.130   0.9203 -1.770000 1.343000 
1 1 1  -50    6   30 o   3.7040   1.1280   3.9370   1.6200   3.4710   1.5690 0.4658000 2.255000 
1 1 1  -50    6   31 o   9.7230   0.8302   10.730   0.9974   8.7160   1.3270 2.014000 1.660000 
1 1 1  -50    6   32 o   3.5530   1.1000   3.1090   1.4310   3.9980   1.6720 -0.8884000 2.201000 
1 1 1  -50    8    1 o   5.8280   1.1840  ?   ?    5.8280   1.1840      ?      ? 
1 1 1  -50    8    2 o   9.9490   1.4770   10.580   2.1750   9.3230   1.9980 1.252000 2.954000 
1 1 1  -50    8    3 o   16.480   0.7452   16.490   0.9545   16.480   1.1450 0.1606000E-01 1.490000 
1 1 1  -50    8    4 o   28.950   0.5041   29.080   0.6664   28.820   0.7566 0.2655000 1.008000 
1 1 1  -50    8    5 o   18.290   0.6540   18.130   0.8547   18.450   0.9902 -0.3156000 1.308000 
1 1 1  -50    8    6 o   17.690   0.6198   17.770   0.8564   17.610   0.8961 0.1598000 1.240000 
1 1 1  -50    8    7 o   13.530   0.7886   15.190   0.9457   11.860   1.2620 3.326000 1.577000 
1 1 1  -50    8    8 o   12.880   0.7614   12.400   1.0850   13.360   1.0680 -0.9593000 1.523000 
1 1 1  -50    8    9 o   19.180   0.5322   19.120   0.7255   19.240   0.7788 -0.1170000 1.064000 
1 1 1  -50    8   10 o   18.750   0.5440   19.530   0.7145   17.970   0.8206 1.561000 1.088000 
1 1 1  -50    8   11 o   32.500   0.4326   32.250   0.6065   32.740   0.6170 -0.4916000 0.8652000 
1 1 1  -50    8   12 o   17.390   0.3280   17.170   0.4529   17.610   0.4745 -0.4369000 0.6559000 
1 1 1  -50    8   13 o   30.390   0.2885   30.550   0.4365   30.220   0.3773 0.3314000 0.5770000 
1 1 1  -50    8   14 o   13.510   0.3853   12.630   0.5677   14.390   0.5211 -1.764000 0.7706000 
1 1 1  -50    8   15 o   5.0560   1.0080   4.5530   1.5340   5.5600   1.3090 -1.007000 2.016000 
1 1 1  -50    8   16 o   25.510   0.3292   25.300   0.4800   25.710   0.4506 -0.4166000 0.6584000 
1 1 1  -50    8   17 o   19.480   0.5508   18.570   0.8677   20.400   0.6786 -1.828000 1.102000 
1 1 1  -50    8   18 o   26.830   0.2898   27.070   0.4117   26.590   0.4080 0.4749000 0.5796000 
1 1 1  -50    8   19 o   11.570   0.5018   11.570   0.6997   11.570   0.7193 0.8149000E-02 1.004000 
1 1 1  -50    8   20 o   4.7570   0.9972   3.4490   1.4250   6.0640   1.3950 -2.615000 1.994000 
1 1 1  -50    8   21 o   5.7700   0.9889   6.9750   1.2220   4.5640   1.5550 2.411000 1.978000 
1 1 1  -50    8   22 o   14.720   0.4371   14.960   0.5963   14.470   0.6392 0.4962000 0.8742000 
1 1 1  -50    8   23 o   7.3000   0.9926   7.0120   1.4090   7.5880   1.3980 -0.5758000 1.985000 
1 1 1  -50    8   24 o   8.1000   0.8942   8.3300   1.1200   7.8710   1.3940 0.4590000 1.788000 
1 1 1  -50    8   25 f   16.560   0.4824   16.540   0.6503   16.580   0.7127 -0.4793000E-01 0.9648000 
1 1 1  -50    8   26 o   4.7590   1.1730   3.9610   1.5820   5.5560   1.7330 -1.595000 2.346000 
1 1 1  -50    8   27 o   3.6730   1.1100   3.5150   1.5110   3.8310   1.6280 -0.3159000 2.221000 
1 1 1  -50    8   28 o   5.1230   1.1900   4.0490   1.6210   6.1980   1.7420 -2.150000 2.380000 
1 1 1  -50    8   29 o   8.1320   1.1860   8.6350   1.5360   7.6300   1.8080 1.005000 2.372000 
1 1 1  -50    8   30 o   6.2090   1.2010   5.4790   1.7280   6.9390   1.6680 -1.460000 2.402000 
1 1 1  -50    8   31 o   5.8320   1.2330   5.9120   1.7170   5.7520   1.7700 0.1597000 2.466000 
1 1 1  -50    8   32 o   2.6970   0.9346   2.2290   1.1260   3.1660   1.4920 -0.9370000 1.869000 
1 1 1  -50   10    1 o   7.8190   1.1020   7.4960   1.8070   8.1410   1.2630 -0.6448000 2.205000 
1 1 1  -50   10    2 o   10.650   0.5975  ?   ?    10.650   0.5975      ?      ? 
1 1 1  -50   10    3 o   24.190   0.8566  ?   ?    24.190   0.8566      ?      ? 
1 1 1  -50   10    4 o   20.330   0.9621  ?   ?    20.330   0.9621      ?      ? 
1 1 1  -50   10    5 o   8.4390   2.5510  ?   ?    8.4390   2.5510      ?      ? 
1 1 1  -50   10    6 o   6.5260   2.0550  ?   ?    6.5260   2.0550      ?      ? 
1 1 1  -50   10    7 o   12.840   1.2120  ?   ?    12.840   1.2120      ?      ? 
1 1 1  -50   10    8 o   32.750   0.5902   31.660   0.9862   33.840   0.6488 -2.181000 1.180000 
1 1 1  -50   10    9 o   17.760   0.6072   17.690   0.8540   17.840   0.8634 -0.1505000 1.214000 
1 1 1  -50   10   10 o   17.550   0.6070   17.060   0.8922   18.040   0.8233 -0.9804000 1.214000 
1 1 1  -50   10   11 o   12.950   0.3141   12.910   0.4177   12.980   0.4694 -0.6892000E-01 0.6283000 
1 1 1  -50   10   12 o   20.310   0.3552   20.010   0.4859   20.620   0.5182 -0.6081000 0.7104000 
1 1 1  -50   10   13 o   10.700   0.5012   11.280   0.6498   10.130   0.7634 1.149000 1.002000 
1 1 1  -50   10   14 o   18.610   0.3284   18.340   0.4417   18.870   0.4861 -0.5284000 0.6568000 
1 1 1  -50   10   15 o   27.850   0.2865   27.650   0.4085   28.050   0.4019 -0.4025000 0.5730000 
1 1 1  -50   10   16 o   11.410   0.6994   12.480   0.9314   10.350   1.0440 2.124000 1.399000 
1 1 1  -50   10   17 o   18.980   0.4529   19.510   0.6498   18.450   0.6311 1.063000 0.9058000 
1 1 1  -50   10   18 o   8.8370   0.6652   9.5710   0.8454   8.1030   1.0270 1.468000 1.330000 
1 1 1  -50   10   19 o   11.040   0.5516   11.730   0.7134   10.350   0.8415 1.380000 1.103000 
1 1 1  -50   10   20 o   4.4160   1.0940   4.5070   1.5260   4.3250   1.5680 0.1814000 2.188000 
1 1 1  -50   10   21 o   8.5890   0.8762   9.9140   0.9545   7.2640   1.4700 2.650000 1.752000 
1 1 1  -50   10   22 o   14.790   0.5124   14.710   0.6881   14.880   0.7593 -0.1712000 1.025000 
1 1 1  -50   10   23 o   7.7690   0.8777   7.6730   1.2290   7.8640   1.2530 -0.1910000 1.755000 
1 1 1  -50   10   24 o   18.550   0.4285   17.920   0.5664   19.190   0.6432 -1.268000 0.8570000 
1 1 1  -50   10   25 o   5.4340   1.1540   6.7240   1.5300   4.1430   1.7290 2.581000 2.309000 
1 1 1  -50   10   26 o   8.0360   0.9503   7.0300   1.4400   9.0430   1.2400 -2.013000 1.901000 
1 1 1  -50   10   27 o   9.7820   0.7804   9.4000   1.0900   10.160   1.1180 -0.7631000 1.561000 
1 1 1  -50   10   28 o   10.940   0.7245   10.080   1.0730   11.800   0.9736 -1.722000 1.449000 
1 1 1  -50   10   29 o   8.6830   1.1130   7.6570   1.6740   9.7090   1.4680 -2.053000 2.226000 
1 1 1  -50   10   30 o   3.6020   1.0780   4.4460   1.6950   2.7570   1.3340 1.689000 2.157000 
1 1 1  -50   10   31 o   2.6720   0.9274   2.6700   1.3100   2.6740   1.3130 -0.4090000E-02 1.855000 
1 1 1  -50   12    1 o   13.280   0.4031   13.260   0.5336   13.310   0.6044 -0.5237000E-01 0.8063000 
1 1 1  -50   12    2 o   24.020   0.3741   23.550   0.5245   24.480   0.5337 -0.9286000 0.7482000 
1 1 1  -50   12    3 o   18.080   0.5915   17.390   0.5707   18.760   1.0360 -1.362000 1.183000 
1 1 1  -50   12    4 o   22.990   0.2570   23.750   0.3423   22.230   0.3835 1.522000 0.5140000 
1 1 1  -50   12    5 o   17.560   0.5105   17.530   0.9260   17.580   0.4300 -0.5895000E-01 1.021000 
1 1 1  -50   12    6 o   23.020   0.5437   22.650   0.7767   23.380   0.7610 -0.7328000 1.087000 
1 1 1  -50   12    7 o   15.400   0.8527   15.410   1.3700   15.400   1.0150 0.1008000E-01 1.705000 
1 1 1  -50   12    8 o   8.6400   0.5987  ?   ?    8.6400   0.5987      ?      ? 
1 1 1  -50   12    9 o   21.010   0.2547   20.840   0.3601   21.190   0.3603 -0.3508000 0.5094000 
1 1 1  -50   12   10 o   6.2700   0.8741   5.0700   1.3230   7.4700   1.1420 -2.401000 1.748000 
1 1 1  -50   12   11 o   7.2410   0.8189   6.6560   1.1810   7.8250   1.1340 -1.169000 1.638000 
1 1 1  -50   12   12 o   18.060   0.3311   18.360   0.4621   17.770   0.4744 0.5921000 0.6623000 
1 1 1  -50   12   13 o   22.390   0.3064   22.040   0.4374   22.740   0.4292 -0.6917000 0.6128000 
1 1 1  -50   12   14 f   24.360   0.3112   23.940   0.4632   24.790   0.4158 -0.8504000 0.6224000 
1 1 1  -50   12   15 o   23.440   0.3531   23.810   0.4333   23.070   0.5575 0.7376000 0.7061000 
1 1 1  -50   12   16 o   21.040   0.4327   21.340   0.6274   20.740   0.5960 0.5973000 0.8654000 
1 1 1  -50   12   17 o   5.9120   1.0090   5.6940   1.4300   6.1310   1.4230 -0.4370000 2.018000 
1 1 1  -50   12   18 o   22.510   0.3635   22.390   0.5059   22.620   0.5220 -0.2290000 0.7269000 
1 1 1  -50   12   19 o   12.460   0.5675   12.310   0.7605   12.620   0.8427 -0.3076000 1.135000 
1 1 1  -50   12   20 o   9.5130   0.6993   10.040   0.8869   8.9840   1.0810 1.057000 1.399000 
1 1 1  -50   12   21 o   13.740   0.5109   13.990   0.6877   13.490   0.7556 0.5052000 1.022000 
1 1 1  -50   12   22 o   9.0910   0.7982   9.1610   1.0790   9.0200   1.1770 0.1410000 1.596000 
1 1 1  -50   12   23 o   17.520   0.4414   16.930   0.6263   18.110   0.6222 -1.177000 0.8828000 
1 1 1  -50   12   24 o   11.060   0.7684   11.650   0.9377   10.480   1.2180 1.174000 1.537000 
1 1 1  -50   12   25 o   11.320   0.7342   12.490   0.9252   10.140   1.1400 2.353000 1.468000 
1 1 1  -50   12   26 o   3.1360   1.0250   3.1260   1.4380   3.1460   1.4600 -0.1980000E-01 2.049000 
1 1 1  -50   12   27 o   3.1310   1.0110   3.6170   1.5580   2.6440   1.2870 0.9733000 2.021000 
1 1 1  -50   12   28 o   8.4310   0.9430   8.4580   1.3000   8.4050   1.3660 0.5347000E-01 1.886000 
1 1 1  -50   12   29 o   5.7490   1.4070   4.1100   1.8520   7.3880   2.1180 -3.278000 2.814000 
1 1 1  -50   12   30 o   2.2870   0.8152   2.1340   1.0840   2.4400   1.2180 -0.3067000 1.630000 
1 1 1  -50   14    1 o   6.6790   0.8652   6.0130   1.2840   7.3450   1.1600 -1.332000 1.730000 
1 1 1  -50   14    2 o   8.5140   0.6435   8.0140   0.9255   9.0150   0.8942 -1.001000 1.287000 
1 1 1  -50   14    3 o   6.7560   0.7560   6.4940   1.0820   7.0180   1.0560 -0.5244000 1.512000 
1 1 1  -50   14    4 o   16.110   0.3511   16.500   0.4622   15.720   0.5288 0.7766000 0.7023000 
1 1 1  -50   14    5 o   10.770   0.4648   9.9310   0.6679   11.610   0.6466 -1.681000 0.9296000 
1 1 1  -50   14    6 o   3.5420   1.0160   4.3390   1.6170   2.7450   1.2310 1.595000 2.032000 
1 1 1  -50   14    7 o   17.490   0.3657   17.560   0.5623   17.410   0.4679 0.1537000 0.7315000 
1 1 1  -50   14    8 o   4.0830   0.9934   3.8590   1.3570   4.3070   1.4510 -0.4476000 1.987000 
1 1 1  -50   14    9 o   2.4630   0.8177   2.1400   1.0360   2.7850   1.2660 -0.6450000 1.635000 
1 1 1  -50   14   10 o   28.860   0.2982   29.620   0.3870   28.110   0.4537 1.512000 0.5964000 
1 1 1  -50   14   11 o   13.350   0.4127   13.240   0.5395   13.460   0.6248 -0.2191000 0.8255000 
1 1 1  -50   14   12 o   3.8940   1.0420   3.9060   1.4500   3.8820   1.4980 0.2394000E-01 2.084000 
1 1 1  -50   14   13 o   9.2920   0.7201   8.8910   1.0050   9.6930   1.0310 -0.8022000 1.440000 
1 1 1  -50   14   14 o   11.340   0.9711   10.950   1.5200   11.730   1.2090 -0.7789000 1.942000 
1 1 1  -50   14   15 o   13.830   0.8060   15.920   1.0630   11.740   1.2120 4.178000 1.612000 
1 1 1  -50   14   16 o   14.870   0.5349   14.960   0.7679   14.770   0.7448 0.1876000 1.070000 
1 1 1  -50   14   17 o   8.7160   0.8154   8.5930   1.2050   8.8380   1.0980 -0.2455000 1.631000 
1 1 1  -50   14   18 o   7.7610   0.9236   9.2460   0.9944   6.2750   1.5570 2.971000 1.847000 
1 1 1  -50   14   19 o   15.560   0.4673   16.070   0.5993   15.040   0.7172 1.028000 0.9346000 
1 1 1  -50   14   20 o   4.9700   1.0790   3.3830   1.4730   6.5580   1.5790 -3.175000 2.159000 
1 1 1  -50   14   21 o   5.2330   1.1710   5.7670   1.6250   4.6980   1.6860 1.069000 2.342000 
1 1 1  -50   14   22 f   14.590   0.5203   14.200   0.7400   14.980   0.7316 -0.7763000 1.041000 
1 1 1  -50   14   23 o   5.0890   1.2470   5.5470   1.7090   4.6310   1.8170 0.9165000 2.494000 
1 1 1  -50   14   24 o   3.8950   1.1930   3.4780   1.5690   4.3130   1.7970 -0.8349000 2.385000 
1 1 1  -50   14   25 o   10.930   0.7268   10.850   0.9892   11.010   1.0650 -0.1608000 1.454000 
1 1 1  -50   14   26 o   4.5240   1.1160   5.9480   1.6980   3.1000   1.4470 2.848000 2.231000 
1 1 1  -50   14   27 o   5.8670   1.2100   4.4320   1.7990   7.3030   1.6200 -2.870000 2.421000 
1 1 1  -50   14   28 o   3.1590   1.0940   2.7420   1.3730   3.5760   1.7040 -0.8336000 2.188000 
1 1 1  -50   14   29 o   3.3180   1.0760   3.1960   1.5020   3.4400   1.5430 -0.2449000 2.153000 
1 1 1  -50   16    1 o   21.010   0.4461   20.870   0.6047   21.150   0.6561 -0.2780000 0.8923000 
1 1 1  -50   16    2 o   19.060   0.4592   18.900   0.6231   19.210   0.6746 -0.3083000 0.9183000 
1 1 1  -50   16    3 o   16.120   0.4063   16.170   0.5774   16.070   0.5718 0.9278000E-01 0.8126000 
1 1 1  -50   16    4 o   18.660   0.3813   18.810   0.5062   18.510   0.5704 0.2967000 0.7626000 
1 1 1  -50   16    5 o   20.490   0.3645   20.600   0.4869   20.380   0.5426 0.2250000 0.7290000 
1 1 1  -50   16    6 o   22.100   0.3561   21.710   0.4866   22.500   0.5201 -0.7954000 0.7122000 
1 1 1  -50   16    7 o   15.960   0.4417   16.810   0.5639   15.100   0.6801 1.715000 0.8835000 
1 1 1  -50   16    8 o   7.1430   0.9779   6.8940   1.3280   7.3920   1.4360 -0.4983000 1.956000 
1 1 1  -50   16    9 o   19.670   0.3791   19.880   0.5008   19.460   0.5694 0.4143000 0.7583000 
1 1 1  -50   16   10 o   9.0620   0.7384   8.6140   1.0180   9.5090   1.0700 -0.8947000 1.477000 
1 1 1  -50   16   11 o   13.280   0.5312   13.620   0.6048   12.940   0.8735 0.6820000 1.062000 
1 1 1  -50   16   12 o   7.7570   1.0270   8.1030   1.3110   7.4110   1.5810 0.6922000 2.054000 
1 1 1  -50   16   13 o   21.320   0.4278   21.390   0.5864   21.250   0.6232 0.1330000 0.8557000 
1 1 1  -50   16   14 f   5.5540   1.1100   5.0600   1.5600   6.0480   1.5780 -0.9879000 2.219000 
1 1 1  -50   16   15 o   7.4080   0.9554   8.9750   0.9645   5.8410   1.6500 3.133000 1.911000 
1 1 1  -50   16   16 f   3.8630   1.0490   4.9530   1.6290   2.7740   1.3200 2.179000 2.097000 
1 1 1  -50   16   17 o   4.3930   1.2630   4.7530   1.9150   4.0320   1.6460 0.7205000 2.525000 
1 1 1  -50   16   18 o   16.910   0.5426   16.150   0.8725   17.660   0.6454 -1.512000 1.085000 
1 1 1  -50   16   19 o   10.250   0.8506   10.920   1.2310   9.5890   1.1740 1.328000 1.701000 
1 1 1  -50   16   20 o   13.340   0.6784   13.920   1.0060   12.760   0.9098 1.158000 1.357000 
1 1 1  -50   16   21 f   3.3240   1.0760   3.5580   1.5970   3.0900   1.4440 0.4677000 2.153000 
1 1 1  -50   16   22 o   4.8410   1.2600   5.0690   1.7170   4.6140   1.8440 0.4552000 2.520000 
1 1 1  -50   16   23 o   11.400   0.8085   11.050   1.1060   11.750   1.1790 -0.6951000 1.617000 
1 1 1  -50   16   24 o   3.7780   1.1500   3.5160   1.5570   4.0400   1.6940 -0.5245000 2.301000 
1 1 1  -50   16   25 o   6.3350   1.3240   7.2450   1.7930   5.4240   1.9490 1.821000 2.648000 
1 1 1  -50   16   26 o   4.1050   1.2390   4.4950   1.8230   3.7150   1.6780 0.7790000 2.478000 
1 1 1  -50   16   27 o   4.1930   1.2240   3.3810   1.5290   5.0050   1.9130 -1.624000 2.449000 
1 1 1  -50   16   28 o   2.3270   0.8310   2.1330   1.0850   2.5210   1.2590 -0.3878000 1.662000 
1 1 1  -50   18    1 o   5.0150   1.1320   5.2000   1.5690   4.8300   1.6320 0.3706000 2.264000 
1 1 1  -50   18    2 o   3.8990   1.0880   3.9080   1.5290   3.8900   1.5500 0.1792000E-01 2.177000 
1 1 1  -50   18    3 o   3.2490   0.9738   4.0810   1.5530   2.4160   1.1750 1.666000 1.948000 
1 1 1  -50   18    4 o   5.4320   1.2000   5.5310   1.6860   5.3340   1.7090 0.1977000 2.401000 
1 1 1  -50   18    5 o   10.900   0.7139   10.230   1.0360   11.570   0.9821 -1.338000 1.428000 
1 1 1  -50   18    6 o   13.330   0.6064   13.060   0.8499   13.610   0.8652 -0.5524000 1.213000 
1 1 1  -50   18    7 o   10.940   0.7333   11.320   0.9697   10.570   1.1000 0.7494000 1.467000 
1 1 1  -50   18    8 f   6.2200   1.1890   7.2280   1.5310   5.2110   1.8190 2.017000 2.378000 
1 1 1  -50   18    9 o   4.9700   1.2030   4.6650   1.7160   5.2750   1.6870 -0.6095000 2.406000 
1 1 1  -50   18   10 o   24.340   0.3399   24.390   0.4559   24.290   0.5044 0.9655000E-01 0.6799000 
1 1 1  -50   18   11 o   13.070   0.5464   14.420   0.6576   11.720   0.8729 2.704000 1.093000 
1 1 1  -50   18   12 o   11.510   0.6076   11.950   0.7864   11.070   0.9265 0.8757000 1.215000 
1 1 1  -50   18   13 o   7.4900   0.9596   6.6220   1.4280   8.3570   1.2830 -1.736000 1.919000 
1 1 1  -50   18   14 o   13.150   0.5542   13.380   0.7252   12.910   0.8382 0.4643000 1.108000 
1 1 1  -50   18   15 o   5.3250   1.1550   4.2000   1.6130   6.4500   1.6540 -2.250000 2.310000 
1 1 1  -50   18   16 o   6.7960   1.0840   6.8990   1.4570   6.6920   1.6040 0.2072000 2.167000 
1 1 1  -50   18   17 o   6.4920   1.1340   6.7960   1.4960   6.1890   1.7050 0.6068000 2.268000 
1 1 1  -50   18   18 o   5.1590   1.0960   6.7920   1.5230   3.5270   1.5770 3.265000 2.192000 
1 1 1  -50   18   19 o   3.7190   1.1290   4.1060   1.6640   3.3330   1.5260 0.7725000 2.258000 
1 1 1  -50   18   20 o   4.9430   1.3360   4.9910   1.9870   4.8940   1.7860 0.9749000E-01 2.672000 
1 1 1  -50   18   21 o   3.1890   1.1020   3.5750   1.7200   2.8030   1.3780 0.7721000 2.204000 
1 1 1  -50   18   22 o   4.1150   1.3330   3.9260   1.8490   4.3030   1.9210 -0.3772000 2.667000 
1 1 1  -50   18   23 o   11.610   0.8961   12.850   1.1690   10.370   1.3580 2.476000 1.792000 
1 1 1  -50   18   24 o   3.0710   1.0290   2.9100   1.4150   3.2330   1.4940 -0.3224000 2.058000 
1 1 1  -50   18   25 o   2.8170   0.9540   2.5120   1.2360   3.1220   1.4530 -0.6102000 1.908000 
1 1 1  -50   18   26 o   3.0690   1.0320   2.8630   1.3670   3.2750   1.5470 -0.4116000 2.064000 
1 1 1  -50   20    1 o   11.510   0.6397   12.390   0.8085   10.620   0.9914 1.771000 1.279000 
1 1 1  -50   20    2 o   8.3220   0.8638   8.1260   1.2270   8.5180   1.2160 -0.3928000 1.728000 
1 1 1  -50   20    3 o   10.360   0.6907   10.900   0.9178   9.8170   1.0320 1.080000 1.381000 
1 1 1  -50   20    4 o   6.9060   1.0970   8.1040   1.2530   5.7090   1.8000 2.395000 2.194000 
1 1 1  -50   20    5 o   14.430   0.5310   15.110   0.6849   13.750   0.8116 1.353000 1.062000 
1 1 1  -50   20    6 o   6.9130   1.0690   5.9870   1.6030   7.8390   1.4140 -1.852000 2.137000 
1 1 1  -50   20    7 o   18.070   0.4373   18.520   0.5886   17.630   0.6468 0.8962000 0.8745000 
1 1 1  -50   20    8 o   8.9670   0.8418   8.3790   1.2310   9.5550   1.1490 -1.176000 1.684000 
1 1 1  -50   20    9 o   11.090   0.6700   11.700   0.8613   10.470   1.0270 1.234000 1.340000 
1 1 1  -50   20   10 o   5.9720   1.1570   5.8360   1.6030   6.1090   1.6700 -0.2729000 2.314000 
1 1 1  -50   20   11 o   10.900   0.6667   10.250   0.9630   11.550   0.9224 -1.303000 1.333000 
1 1 1  -50   20   12 o   8.3850   0.9051   7.1740   1.4290   9.5960   1.1110 -2.422000 1.810000 
1 1 1  -50   20   13 o   6.6390   1.0700   8.4690   1.2430   4.8090   1.7430 3.660000 2.141000 
1 1 1  -50   20   14 o   10.820   0.7040   10.960   0.9545   10.690   1.0350 0.2751000 1.408000 
1 1 1  -50   20   15 o   3.7780   1.1300   3.4210   1.5170   4.1340   1.6760 -0.7128000 2.261000 
1 1 1  -50   20   16 o   3.7960   1.1340   3.1940   1.4590   4.3990   1.7370 -1.205000 2.269000 
1 1 1  -50   20   17 o   4.6990   1.1820   3.7280   1.5970   5.6690   1.7430 -1.941000 2.364000 
1 1 1  -50   20   18 o   3.5550   1.1080   3.4120   1.5330   3.6990   1.6010 -0.2866000 2.217000 
1 1 1  -50   20   19 o   9.8080   1.0750   10.090   1.2940   9.5230   1.7160 0.5703000 2.149000 
1 1 1  -50   20   20 o   9.3830   1.2310   8.0030   1.9300   10.760   1.5270 -2.760000 2.462000 
1 1 1  -50   20   21 o   12.970   0.6946   13.480   0.8668   12.450   1.0860 1.035000 1.389000 
1 1 1  -50   20   22 o   10.360   0.7864   10.070   1.1690   10.660   1.0530 -0.5964000 1.573000 
1 1 1  -50   20   23 o   4.3070   1.2360   4.3250   1.7950   4.2880   1.7000 0.3699000E-01 2.472000 
1 1 1  -50   20   24 o   2.9800   1.0210   3.2330   1.5620   2.7260   1.3160 0.5075000 2.042000 
1 1 1  -50   22    1 o   4.9100   1.1560   6.2060   1.6840   3.6130   1.5820 2.594000 2.311000 
1 1 1  -50   22    2 o   4.0850   1.1400   4.9280   1.7290   3.2430   1.4860 1.685000 2.280000 
1 1 1  -50   22    3 o   4.1590   1.1860   3.9380   1.6510   4.3800   1.7030 -0.4424000 2.372000 
1 1 1  -50   22    4 o   4.8210   1.2210   3.7440   1.6100   5.8980   1.8370 -2.154000 2.442000 
1 1 1  -50   22    5 o   5.5000   1.2480   5.8120   1.7580   5.1880   1.7730 0.6244000 2.497000 
1 1 1  -50   22    6 o   4.8870   1.2390   5.2700   1.7670   4.5050   1.7370 0.7644000 2.477000 
1 1 1  -50   22    7 o   4.0150   1.1060   5.2050   1.7500   2.8260   1.3530 2.379000 2.212000 
1 1 1  -50   22    8 o   5.5630   1.2200   6.2090   1.6940   4.9170   1.7560 1.292000 2.441000 
1 1 1  -50   22    9 o   18.370   0.4478   18.720   0.6165   18.030   0.6496 0.6904000 0.8956000 
1 1 1  -50   22   10 o   10.010   0.7821   10.250   1.0600   9.7800   1.1500 0.4657000 1.564000 
1 1 1  -50   22   11 o   4.0750   1.1230   5.1220   1.7400   3.0290   1.4190 2.093000 2.245000 
1 1 1  -50   22   12 o   8.5400   0.9326   8.7020   1.2480   8.3780   1.3870 0.3237000 1.865000 
1 1 1  -50   22   13 o   5.4370   1.3270   5.2830   1.8750   5.5920   1.8770 -0.3091000 2.653000 
1 1 1  -50   22   14 o   4.0230   1.2160   3.8010   1.6790   4.2460   1.7590 -0.4446000 2.432000 
1 1 1  -50   22   15 o   3.4510   1.1200   3.3220   1.5540   3.5800   1.6150 -0.2578000 2.241000 
1 1 1  -50   22   16 o   3.3990   1.1080   3.7040   1.6580   3.0950   1.4720 0.6084000 2.217000 
1 1 1  -50   22   17 o   6.8380   1.3260   6.8480   1.8330   6.8280   1.9160 0.2007000E-01 2.651000 
1 1 1  -50   22   18 o   7.1390   1.2620   7.2730   1.7210   7.0040   1.8460 0.2690000 2.524000 
1 1 1  -50   22   19 o   4.1110   1.1880   3.8090   1.6250   4.4130   1.7350 -0.6037000 2.377000 
1 1 1  -50   22   20 o   3.9220   1.1480   4.4620   1.7170   3.3830   1.5250 1.079000 2.296000 
1 1 1  -50   22   21 o   2.6500   0.9064   2.2990   1.1460   3.0010   1.4050 -0.7018000 1.813000 
1 1 1  -50   22   22 o   3.3440   1.1390   3.4430   1.6430   3.2440   1.5780 0.1991000 2.279000 
1 1 1  -50   24    1 o   6.5400   1.4200   7.0400   1.9590   6.0400   2.0550 1.000000 2.840000 
1 1 1  -50   24    2 o   3.5050   1.1180   3.8570   1.6840   3.1520   1.4720 0.7052000 2.236000 
1 1 1  -50   24    3 o   5.5970   1.2780   6.0900   1.7590   5.1040   1.8530 0.9858000 2.555000 
1 1 1  -50   24    4 o   6.8000   1.2410   7.6960   1.5010   5.9040   1.9770 1.793000 2.482000 
1 1 1  -50   24    5 o   4.0730   1.2060   4.2390   1.7060   3.9080   1.7050 0.3311000 2.412000 
1 1 1  -50   24    6 o   7.9920   1.3090   7.9110   1.4970   8.0720   2.1470 -0.1612000 2.617000 
1 1 1  -50   24    7 o   3.7270   1.1160   4.5250   1.7400   2.9290   1.3970 1.596000 2.231000 
1 1 1  -50   24    8 o   7.2610   1.1380   7.7220   1.5120   6.8000   1.7010 0.9222000 2.276000 
1 1 1  -50   24    9 o   6.1560   1.1670   7.5430   1.5130   4.7700   1.7770 2.773000 2.334000 
1 1 1  -50   24   10 o   5.8330   1.2160   6.6100   1.6500   5.0560   1.7860 1.554000 2.431000 
1 1 1  -50   24   11 o   3.9250   1.1600   3.6630   1.5900   4.1870   1.6890 -0.5236000 2.319000 
1 1 1  -50   24   12 o   3.2520   1.0730   2.3160   1.1530   4.1870   1.8110 -1.871000 2.147000 
1 1 1  -50   24   13 o   3.2230   1.0710   3.7220   1.6640   2.7240   1.3500 0.9986000 2.143000 
1 1 1  -50   24   14 o   3.4630   1.1160   4.1820   1.7730   2.7430   1.3550 1.439000 2.232000 
1 1 1  -50   24   15 o   3.5230   1.1430   3.1800   1.5070   3.8650   1.7190 -0.6841000 2.286000 
1 1 1  -50   24   16 o   2.6250   0.9044   2.5810   1.2630   2.6700   1.2950 -0.8942000E-01 1.809000 
1 1 1  -50   24   17 o   2.0080   0.7205   1.9430   0.9899   2.0720   1.0470 -0.1281000 1.441000 
1 1 1  -50   24   18 o   2.7400   0.9310   2.5350   1.2410   2.9440   1.3880 -0.4093000 1.862000 
1 1 1  -50   24   19 o   2.2860   1.1790  ?   ?    2.2860   1.1790      ?      ? 
1 1 1  -50   26    1 o   8.2420   1.0630  10.0000   1.1670   6.4800   1.7760 3.524000 2.125000 
1 1 1  -50   26    2 o   11.090   0.7737   10.210   1.1590   11.960   1.0250 -1.743000 1.547000 
1 1 1  -50   26    3 o   6.9040   1.1440   8.6450   1.3660   5.1620   1.8340 3.483000 2.287000 
1 1 1  -50   26    4 o   2.7630   0.9488   2.8090   1.3460   2.7170   1.3380 0.9193000E-01 1.898000 
1 1 1  -50   26    5 o   2.9750   1.0110   2.7470   1.3540   3.2030   1.5020 -0.4566000 2.022000 
1 1 1  -50   26    6 o   2.8690   0.9867   3.1340   1.5010   2.6050   1.2820 0.5290000 1.973000 
1 1 1  -50   26    7 f   9.6600   1.0020   8.5630   1.6600   10.760   1.1230 -2.195000 2.004000 
1 1 1  -50   26    8 o   2.8250   0.9730   2.9450   1.4330   2.7040   1.3170 0.2418000 1.946000 
1 1 1  -50   26    9 o   3.5260   1.1270   4.1390   1.7750   2.9130   1.3890 1.226000 2.254000 
1 1 1  -50   26   10 o   3.1870   1.0360   3.2350   1.4760   3.1380   1.4550 0.9697000E-01 2.073000 
1 1 1  -50   26   11 o   3.4440   1.0960   2.7600   1.3260   4.1280   1.7460 -1.367000 2.193000 
1 1 1  -50   26   12 o   4.5700   1.2080   4.3000   1.6830   4.8400   1.7320 -0.5397000 2.416000 
1 1 1  -50   26   13 o   2.6510   0.9133   2.3650   1.1720   2.9370   1.4010 -0.5729000 1.827000 
1 1 1  -50   26   14 o   2.5050   0.8905   2.2570   1.1470   2.7530   1.3620 -0.4959000 1.781000 
1 1 1  -49    1    1 o   26.010   0.2940   25.670   0.4164   26.360   0.4153 -0.6939000 0.5880000 
1 1 1  -49    1    2 o   14.530   0.4200   14.080   0.6190   14.980   0.5677 -0.9005000 0.8399000 
1 1 1  -49    1    3 o   22.310   0.3033   21.980   0.4344   22.640   0.4234 -0.6652000 0.6066000 
1 1 1  -49    1    4 o   17.470   0.3770   18.130   0.5679   16.800   0.4958 1.325000 0.7539000 
1 1 1  -49    1    5 o   11.180   0.6326   12.550   0.7860   9.8140   0.9914 2.733000 1.265000 
1 1 1  -49    1    6 o   39.330   0.3453   39.290   0.4847   39.370   0.4919 -0.8004000E-01 0.6906000 
1 1 1  -49    1    7 o   6.2930   1.0550   6.1660   1.5160   6.4210   1.4670 -0.2549000 2.110000 
1 1 1  -49    1    8 o   23.450   0.3322   23.170   0.5587   23.740   0.3593 -0.5684000 0.6643000 
1 1 1  -49    1    9 o   29.420   0.2517   29.310   0.3565   29.540   0.3553 -0.2272000 0.5033000 
1 1 1  -49    1   10 o   24.100   0.2516   24.250   0.3569   23.940   0.3547 0.3128000 0.5032000 
1 1 1  -49    1   11 o   24.980   0.2666   25.290   0.3949   24.680   0.3583 0.6052000 0.5332000 
1 1 1  -49    1   12 o   9.8770   0.5325   9.6580   0.7850   10.100   0.7197 -0.4392000 1.065000 
1 1 1  -49    1   13 o   16.610   0.3475   16.450   0.4991   16.760   0.4838 -0.3077000 0.6951000 
1 1 1  -49    1   14 o   8.8920   0.6253   8.3200   0.9496   9.4640   0.8138 -1.144000 1.251000 
1 1 1  -49    1   15 o   6.2390   0.8993   5.3850   1.4170   7.0930   1.1070 -1.708000 1.799000 
1 1 1  -49    1   16 o   12.580   0.3983   12.360   0.5753   12.790   0.5511 -0.4335000 0.7967000 
1 1 1  -49    1   17 o   26.710   0.2640   26.580   0.3748   26.840   0.3719 -0.2558000 0.5280000 
1 1 1  -49    1   18 o   15.560   0.3480   15.820   0.4866   15.290   0.4977 0.5319000 0.6960000 
1 1 1  -49    1   19 o   24.950   0.2754   24.500   0.3896   25.400   0.3894 -0.8990000 0.5508000 
1 1 1  -49    1   20 o   6.1040   0.8803   5.7120   1.2990   6.4970   1.1880 -0.7858000 1.761000 
1 1 1  -49    1   21 o   18.630   0.3239   18.600   0.4541   18.660   0.4619 -0.5991000E-01 0.6477000 
1 1 1  -49    1   22 o   12.450   0.5323   12.410   0.7916   12.480   0.7119 -0.7019000E-01 1.065000 
1 1 1  -49    1   23 o   16.260   0.5224   16.880   0.7157   15.650   0.7612 1.232000 1.045000 
1 1 1  -49    1   24 o   13.020   0.4925   12.540   0.7409   13.500   0.6489 -0.9634000 0.9849000 
1 1 1  -49    1   25 o   5.0170   1.0730   4.1620   1.5510   5.8720   1.4830 -1.710000 2.146000 
1 1 1  -49    1   26 o   22.450   0.3390   22.640   0.4754   22.260   0.4834 0.3808000 0.6780000 
1 1 1  -49    1   27 o   6.9690   1.1560   6.7480   1.6310   7.1910   1.6390 -0.4426000 2.312000 
1 1 1  -49    1   28 o   11.150   1.0140   12.870   1.2340   9.4310   1.6100 3.439000 2.029000 
1 1 1  -49    1   29 o   2.8000   0.9405   3.2120   1.4630   2.3870   1.1820 0.8260000 1.881000 
1 1 1  -49    1   30 o   7.4190   1.0730   8.6800   1.2970   6.1580   1.7100 2.522000 2.146000 
1 1 1  -49    1   31 o   5.9140   1.2290   5.7490   1.7600   6.0790   1.7150 -0.3301000 2.457000 
1 1 1  -49    1   32 o   4.0430   1.1300   5.0540   1.7560   3.0320   1.4240 2.022000 2.260000 
1 1 1  -49    1   33 o   3.1450   1.0170   3.7090   1.5970   2.5810   1.2600 1.128000 2.035000 
1 1 1  -49    3    1 o   30.210   0.3304   29.910   0.4636   30.510   0.4709 -0.6032000 0.6609000 
1 1 1  -49    3    2 f   31.620   0.3736   31.550   0.5318   31.690   0.5248 -0.1393000 0.7471000 
1 1 1  -49    3    3 o   22.720   0.2742   22.170   0.4029   23.270   0.3720 -1.103000 0.5484000 
1 1 1  -49    3    4 o   30.330   0.4533   30.640   0.8232   30.030   0.3798 0.6130000 0.9066000 
1 1 1  -49    3    5 o   29.780   0.6069   29.890   0.8122   29.680   0.9019 0.2150000 1.214000 
1 1 1  -49    3    6 o   11.880   1.1240   12.910   1.3290   10.850   1.8130 2.062000 2.248000 
1 1 1  -49    3    7 o   21.720   0.6264   21.110   0.8554   22.320   0.9154 -1.203000 1.253000 
1 1 1  -49    3    8 o   8.6060   1.0010   7.5230   1.9390   9.6900   0.5002 -2.167000 2.002000 
1 1 1  -49    3    9 o   13.000   0.3456   12.540   0.5260   13.460   0.4484 -0.9263000 0.6912000 
1 1 1  -49    3   10 f   22.470   0.3631   22.380   0.4947   22.560   0.5316 -0.1828000 0.7261000 
1 1 1  -49    3   11 o   2.6870   0.8620   2.9150   1.3040   2.4590   1.1270 0.4562000 1.724000 
1 1 1  -49    3   12 o   12.270   0.4034   12.200   0.6001   12.340   0.5393 -0.1471000 0.8069000 
1 1 1  -49    3   13 o   13.900   0.4194   13.640   0.6693   14.160   0.5054 -0.5202000 0.8387000 
1 1 1  -49    3   14 f   9.1630   0.5490   9.9780   0.7391   8.3480   0.8120 1.630000 1.098000 
1 1 1  -49    3   15 o   12.770   0.4854   12.990   0.7014   12.560   0.6712 0.4299000 0.9708000 
1 1 1  -49    3   16 o   10.610   0.5708   10.710   0.8195   10.500   0.7947 0.2190000 1.142000 
1 1 1  -49    3   17 o   15.570   0.3434   14.980   0.5014   16.170   0.4693 -1.190000 0.6867000 
1 1 1  -49    3   18 o   11.230   0.4624   11.170   0.6597   11.290   0.6482 -0.1213000 0.9249000 
1 1 1  -49    3   19 o   16.690   0.3390   16.170   0.4868   17.210   0.4719 -1.044000 0.6780000 
1 1 1  -49    3   20 o   11.380   0.4745   11.230   0.6741   11.520   0.6679 -0.2872000 0.9490000 
1 1 1  -49    3   21 f   17.220   0.4002   17.450   0.5788   17.000   0.5529 0.4419000 0.8004000 
1 1 1  -49    3   22 o   5.9860   0.9783   7.2930   1.1390   4.6780   1.5910 2.615000 1.957000 
1 1 1  -49    3   23 o   5.2120   1.0550   5.6040   1.4440   4.8200   1.5390 0.7836000 2.110000 
1 1 1  -49    3   24 o   7.1800   0.9746   6.5370   1.4110   7.8220   1.3450 -1.284000 1.949000 
1 1 1  -49    3   25 o   9.7490   0.6664   9.6140   0.9357   9.8850   0.9491 -0.2709000 1.333000 
1 1 1  -49    3   26 o   12.480   0.6374   13.180   0.8220   11.780   0.9744 1.404000 1.275000 
1 1 1  -49    3   27 o   8.8610   0.9315   8.9310   1.2920   8.7920   1.3420 0.1386000 1.863000 
1 1 1  -49    3   28 o   26.280   0.3469   26.310   0.4870   26.260   0.4942 0.5506000E-01 0.6938000 
1 1 1  -49    3   29 o   6.6610   1.2930   6.7810   1.8170   6.5400   1.8390 0.2418000 2.585000 
1 1 1  -49    3   30 o   7.3330   1.0840   5.6840   1.7560   8.9830   1.2720 -3.300000 2.169000 
1 1 1  -49    3   31 o   11.980   0.6865   12.090   0.9454   11.880   0.9956 0.2009000 1.373000 
1 1 1  -49    3   32 o   13.010   0.6284   12.520   0.9047   13.490   0.8726 -0.9721000 1.257000 
1 1 1  -49    3   33 o   2.2510   0.7990   1.9650   0.9998   2.5370   1.2470 -0.5717000 1.598000 
1 1 1  -49    5    1 o   12.930   0.3895   12.520   0.5489   13.340   0.5529 -0.8191000 0.7791000 
1 1 1  -49    5    2 o   8.6110   1.3210   9.2230   1.5840   7.9990   2.1140 1.224000 2.642000 
1 1 1  -49    5    3 o   16.890   0.6807   15.670   0.9378   18.100   0.9870 -2.436000 1.361000 
1 1 1  -49    5    4 o   15.550   0.7602   17.260   0.8577   13.850   1.2550 3.410000 1.520000 
1 1 1  -49    5    5 o   12.080   0.9404   12.500   1.1470   11.660   1.4900 0.8381000 1.881000 
1 1 1  -49    5    6 o   22.790   0.6252   22.650   0.7010   22.920   1.0350 -0.2686000 1.250000 
1 1 1  -49    5    7 o   26.510   0.4517   26.960   0.6348   26.070   0.6427 0.8965000 0.9034000 
1 1 1  -49    5    8 o   4.8520   1.3250   5.0710   1.8910   4.6320   1.8550 0.4397000 2.650000 
1 1 1  -49    5    9 o   21.750   0.4792   21.030   0.6932   22.470   0.6617 -1.449000 0.9583000 
1 1 1  -49    5   10 o   15.920   0.5958   14.770   0.8872   17.060   0.7955 -2.296000 1.192000 
1 1 1  -49    5   11 o   12.890   0.4147   12.600   0.5407   13.180   0.6288 -0.5800000 0.8293000 
1 1 1  -49    5   12 o   20.210   0.3384   20.460   0.4683   19.960   0.4887 0.5023000 0.6769000 
1 1 1  -49    5   13 o   8.0450   0.6207   7.9000   0.9208   8.1900   0.8325 -0.2907000 1.241000 
1 1 1  -49    5   14 o   3.7200   0.9559   4.3730   1.4150   3.0680   1.2860 1.304000 1.912000 
1 1 1  -49    5   15 o   20.130   0.2947   20.060   0.4238   20.210   0.4096 -0.1408000 0.5894000 
1 1 1  -49    5   16 o   18.680   0.3868   18.520   0.5651   18.830   0.5282 -0.3116000 0.7735000 
1 1 1  -49    5   17 o   13.490   0.3976   13.560   0.5501   13.410   0.5743 0.1450000 0.7952000 
1 1 1  -49    5   18 o   22.850   0.2876   22.390   0.4083   23.310   0.4051 -0.9192000 0.5752000 
1 1 1  -49    5   19 o   15.130   0.4354   15.150   0.6300   15.100   0.6011 0.4673000E-01 0.8707000 
1 1 1  -49    5   20 o   20.630   0.3614   20.400   0.5281   20.860   0.4936 -0.4548000 0.7228000 
1 1 1  -49    5   21 o   3.9090   1.0350   3.8470   1.4490   3.9710   1.4770 -0.1246000 2.069000 
1 1 1  -49    5   22 o   8.4380   0.6977   9.4340   0.8475   7.4420   1.1090 1.991000 1.395000 
1 1 1  -49    5   23 o   3.9350   0.9827   5.0860   1.4920   2.7840   1.2790 2.303000 1.965000 
1 1 1  -49    5   24 o   8.6370   0.8067   7.9770   1.1760   9.2970   1.1040 -1.320000 1.613000 
1 1 1  -49    5   25 o   13.860   0.5741   14.080   0.8015   13.630   0.8221 0.4417000 1.148000 
1 1 1  -49    5   26 o   18.330   0.4648   18.140   0.6343   18.520   0.6794 -0.3849000 0.9295000 
1 1 1  -49    5   27 o   4.8620   1.1090   3.6120   1.5240   6.1110   1.6120 -2.500000 2.218000 
1 1 1  -49    5   28 o   13.870   0.5419   13.740   0.7486   14.010   0.7837 -0.2704000 1.084000 
1 1 1  -49    5   29 o   7.2870   1.2760   7.4020   1.7700   7.1730   1.8380 0.2284000 2.551000 
1 1 1  -49    5   30 o   6.4830   1.1850   6.1940   1.6800   6.7720   1.6710 -0.5776000 2.369000 
1 1 1  -49    5   31 o   8.2540   0.9888   8.0160   1.3950   8.4920   1.4020 -0.4760000 1.978000 
1 1 1  -49    5   32 o   10.480   0.7506   10.010   1.0750   10.950   1.0480 -0.9466000 1.501000 
1 1 1  -49    5   33 o   8.4920   0.9721   6.2050   1.6400   10.780   1.0430 -4.573000 1.944000 
1 1 1  -49    7    1 o   27.470   0.2959   27.190   0.4507   27.750   0.3835 -0.5639000 0.5918000 
1 1 1  -49    7    2 o   9.9680   1.8810  ?   ?    9.9680   1.8810      ?      ? 
1 1 1  -49    7    3 o   5.7920   2.2250  ?   ?    5.7920   2.2250      ?      ? 
1 1 1  -49    7    4 o   24.230   0.6837   23.830   1.0960   24.620   0.8178 -0.7934000 1.367000 
1 1 1  -49    7    5 o   21.980   0.5627   21.550   0.7440   22.410   0.8445 -0.8593000 1.125000 
1 1 1  -49    7    6 o   9.9170   1.1030   8.2170   1.7870   11.620   1.2940 -3.402000 2.206000 
1 1 1  -49    7    7 o   10.130   1.0470   11.370   1.2610   8.8800   1.6710 2.494000 2.094000 
1 1 1  -49    7    8 o   8.5240   1.1970   7.2430   1.8800   9.8060   1.4810 -2.563000 2.394000 
1 1 1  -49    7    9 o   10.030   0.9863   10.750   1.2500   9.3150   1.5260 1.440000 1.973000 
1 1 1  -49    7   10 o   4.4800   1.2940   4.7720   1.8680   4.1880   1.7910 0.5835000 2.588000 
1 1 1  -49    7   11 o   17.040   0.4416   17.060   0.7914   17.020   0.3919 0.3947000E-01 0.8832000 
1 1 1  -49    7   12 o   16.940   0.3454   17.500   0.4666   16.380   0.5094 1.120000 0.6908000 
1 1 1  -49    7   13 o   20.180   0.2883   20.160   0.4091   20.190   0.4064 -0.2898000E-01 0.5766000 
1 1 1  -49    7   14 o   15.450   0.3469   15.540   0.4989   15.370   0.4823 0.1700000 0.6939000 
1 1 1  -49    7   15 o   14.490   0.3734   14.450   0.5368   14.520   0.5193 -0.6481000E-01 0.7469000 
1 1 1  -49    7   16 o   13.190   0.5446   13.040   0.8031   13.340   0.7356 -0.2974000 1.089000 
1 1 1  -49    7   17 o   18.220   0.5499   17.380   0.8614   19.050   0.6839 -1.668000 1.100000 
1 1 1  -49    7   18 o   4.1280   1.0620   3.4110   1.4410   4.8450   1.5620 -1.434000 2.125000 
1 1 1  -49    7   19 o   11.050   0.5175   11.380   0.6941   10.720   0.7677 0.6536000 1.035000 
1 1 1  -49    7   20 o   34.370   0.2968   34.420   0.4216   34.330   0.4178 0.8923000E-01 0.5935000 
1 1 1  -49    7   21 o   19.700   0.3401   19.840   0.4760   19.550   0.4860 0.2891000 0.6803000 
1 1 1  -49    7   22 o   8.8870   0.6993   9.9730   0.8205   7.8010   1.1330 2.172000 1.399000 
1 1 1  -49    7   23 o   6.8730   0.9193   6.7200   1.3100   7.0250   1.2900 -0.3042000 1.839000 
1 1 1  -49    7   24 f   9.5400   0.8598   10.070   0.9893   9.0120   1.4070 1.057000 1.720000 
1 1 1  -49    7   25 o   14.060   0.5499   14.060   0.7325   14.060   0.8205 -0.1287000E-02 1.100000 
1 1 1  -49    7   26 o   9.1210   0.7855   9.4560   1.0370   8.7860   1.1800 0.6702000 1.571000 
1 1 1  -49    7   27 o   10.470   0.7062   10.410   0.9554   10.530   1.0400 -0.1204000 1.412000 
1 1 1  -49    7   28 o   9.7400   0.7914   10.290   0.9754   9.1870   1.2470 1.105000 1.583000 
1 1 1  -49    7   29 o   16.820   0.5905   17.180   0.7913   16.450   0.8766 0.7316000 1.181000 
1 1 1  -49    7   30 o   3.5450   1.1080   3.4530   1.5290   3.6360   1.6030 -0.1836000 2.215000 
1 1 1  -49    7   31 o   2.6730   0.9163   2.7320   1.3120   2.6150   1.2790 0.1162000 1.833000 
1 1 1  -49    7   32 o   3.0310   0.9993   2.6990   1.3020   3.3630   1.5160 -0.6636000 1.999000 
1 1 1  -49    9    1 o   7.7330   0.7525   6.2960   1.1130   9.1700   1.0130 -2.874000 1.505000 
1 1 1  -49    9    2 o   20.360   0.6394   20.080   0.8665   20.640   0.9406 -0.5569000 1.279000 
1 1 1  -49    9    3 o   4.8490   2.0780  ?   ?    4.8490   2.0780      ?      ? 
1 1 1  -49    9    4 o   17.480   1.0750  ?   ?    17.480   1.0750      ?      ? 
1 1 1  -49    9    5 o   23.400   1.1180  ?   ?    23.400   1.1180      ?      ? 
1 1 1  -49    9    6 o   16.080   0.9751  ?   ?    16.080   0.9751      ?      ? 
1 1 1  -49    9    7 o   12.140   1.2830  ?   ?    12.140   1.2830      ?      ? 
1 1 1  -49    9    8 o   30.220   0.6493  ?   ?    30.220   0.6493      ?      ? 
1 1 1  -49    9    9 o   3.5040   1.6320  ?   ?    3.5040   1.6320      ?      ? 
1 1 1  -49    9   10 o   27.830   0.5936   27.570   0.9921   28.100   0.6521 -0.5230000 1.187000 
1 1 1  -49    9   11 o   21.190   0.2449   21.150   0.3374   21.240   0.3552 -0.9161000E-01 0.4899000 
1 1 1  -49    9   12 o   16.140   0.3572   16.490   0.4763   15.780   0.5326 0.7123000 0.7145000 
1 1 1  -49    9   13 o   20.310   0.2922   20.560   0.4085   20.060   0.4179 0.5052000 0.5844000 
1 1 1  -49    9   14 o   14.520   0.4057   14.150   0.5971   14.890   0.5493 -0.7402000 0.8114000 
1 1 1  -49    9   15 o   11.020   0.5419   10.910   0.7770   11.130   0.7556 -0.2258000 1.084000 
1 1 1  -49    9   16 o   20.570   0.4130   20.470   0.6084   20.670   0.5587 -0.1923000 0.8260000 
1 1 1  -49    9   17 f   13.970   0.5728   13.280   0.8833   14.660   0.7294 -1.381000 1.146000 
1 1 1  -49    9   18 o   18.130   0.3435   18.470   0.4758   17.790   0.4956 0.6810000 0.6870000 
1 1 1  -49    9   19 o   22.400   0.3132   22.120   0.4457   22.690   0.4400 -0.5705000 0.6264000 
1 1 1  -49    9   20 o   6.2360   0.9303   7.8530   1.0420   4.6180   1.5410 3.235000 1.861000 
1 1 1  -49    9   21 o   3.7170   1.0490   3.8090   1.4790   3.6240   1.4880 0.1855000 2.098000 
1 1 1  -49    9   22 o   20.440   0.3970   20.820   0.5318   20.050   0.5897 0.7710000 0.7941000 
1 1 1  -49    9   23 o   14.120   0.5235   14.220   0.7108   14.020   0.7688 0.1979000 1.047000 
1 1 1  -49    9   24 o   10.790   0.6615   10.440   0.8903   11.150   0.9786 -0.7172000 1.323000 
1 1 1  -49    9   25 o   9.6760   0.8174   8.5330   1.2190   10.820   1.0900 -2.285000 1.635000 
1 1 1  -49    9   26 o   10.380   0.7031   9.6020   1.0230   11.160   0.9643 -1.556000 1.406000 
1 1 1  -49    9   27 o   7.0870   1.0630   7.2450   1.3990   6.9300   1.6000 0.3153000 2.125000 
1 1 1  -49    9   28 o   3.4160   1.0350   4.2930   1.6490   2.5390   1.2490 1.754000 2.069000 
1 1 1  -49    9   29 o   3.5560   1.1460   2.9710   1.4390   4.1420   1.7840 -1.172000 2.292000 
1 1 1  -49    9   30 o   11.560   0.6878   11.870   0.9110   11.250   1.0310 0.6220000 1.376000 
1 1 1  -49    9   31 o   3.3310   1.0750   3.0810   1.4570   3.5820   1.5800 -0.5003000 2.150000 
1 1 1  -49    9   32 o   3.2640   1.0780   3.3390   1.5460   3.1900   1.5020 0.1488000 2.156000 
1 1 1  -49   11    1 o   10.540   0.7267   10.330   1.2400   10.750   0.7577 -0.4229000 1.453000 
1 1 1  -49   11    2 o   15.990   0.5035   15.680   0.7399   16.310   0.6830 -0.6273000 1.007000 
1 1 1  -49   11    3 o   22.070   0.3756   22.010   0.5398   22.130   0.5223 -0.1232000 0.7511000 
1 1 1  -49   11    4 o   24.610   0.8298   23.520   1.1040   25.710   1.2400 -2.194000 1.660000 
1 1 1  -49   11    5 o   15.250   1.0540   16.190   1.4730   14.300   1.5080 1.890000 2.108000 
1 1 1  -49   11    6 o   13.350   1.1650   13.220   1.7720   13.470   1.5130 -0.2555000 2.330000 
1 1 1  -49   11    7 o   15.850   0.9945   15.290   1.5050   16.420   1.3000 -1.123000 1.989000 
1 1 1  -49   11    8 o   16.120   1.0160   14.120   1.6410   18.130   1.2000 -4.011000 2.033000 
1 1 1  -49   11    9 o   7.5300   2.4190  ?   ?    7.5300   2.4190      ?      ? 
1 1 1  -49   11   10 o   27.330   0.3221   27.010   0.4000   27.650   0.5050 -0.6394000 0.6442000 
1 1 1  -49   11   11 o   9.9300   0.5807   9.3160   0.8115   10.540   0.8307 -1.228000 1.161000 
1 1 1  -49   11   12 o   15.550   0.3502   15.950   0.4814   15.160   0.5087 0.7866000 0.7004000 
1 1 1  -49   11   13 f   23.320   0.3569   23.490   0.5826   23.150   0.4125 0.3413000 0.7138000 
1 1 1  -49   11   14 o   17.020   0.3845   16.940   0.5862   17.090   0.4976 -0.1488000 0.7689000 
1 1 1  -49   11   15 o   24.010   0.3011   23.870   0.4271   24.150   0.4245 -0.2789000 0.6022000 
1 1 1  -49   11   16 o   20.850   0.4319   20.800   0.6388   20.900   0.5816 -0.9297000E-01 0.8639000 
1 1 1  -49   11   17 o   20.440   0.3312   20.820   0.4615   20.050   0.4753 0.7604000 0.6625000 
1 1 1  -49   11   18 o   25.250   0.3088   24.940   0.4369   25.550   0.4365 -0.6031000 0.6176000 
1 1 1  -49   11   19 o   11.100   0.6116   10.990   0.8344   11.210   0.8944 -0.2221000 1.223000 
1 1 1  -49   11   20 o   6.9110   1.0120   6.6270   1.4130   7.1950   1.4500 -0.5680000 2.025000 
1 1 1  -49   11   21 o   18.930   0.3857   18.370   0.5436   19.480   0.5475 -1.109000 0.7715000 
1 1 1  -49   11   22 o   29.560   0.3232   29.040   0.4539   30.070   0.4601 -1.027000 0.6463000 
1 1 1  -49   11   23 o   11.510   0.6025   11.750   0.8048   11.270   0.8969 0.4843000 1.205000 
1 1 1  -49   11   24 o   11.610   0.6835   12.020   0.8863   11.210   1.0410 0.8017000 1.367000 
1 1 1  -49   11   25 o   11.550   0.6694   12.270   0.8840   10.830   1.0050 1.445000 1.339000 
1 1 1  -49   11   26 o   15.490   0.5036   15.680   0.6837   15.310   0.7395 0.3669000 1.007000 
1 1 1  -49   11   27 o   13.730   0.5800   13.190   0.8255   14.270   0.8149 -1.083000 1.160000 
1 1 1  -49   11   28 o   5.4630   1.2390   5.1670   1.7420   5.7580   1.7630 -0.5917000 2.478000 
1 1 1  -49   11   29 f   7.6270   1.2320   6.5720   1.8660   8.6830   1.6100 -2.111000 2.464000 
1 1 1  -49   11   30 o   2.9620   1.0060   3.2060   1.5070   2.7180   1.3330 0.4878000 2.012000 
1 1 1  -49   11   31 o   2.3410   0.8270   2.3720   1.1760   2.3090   1.1630 0.6292000E-01 1.654000 
1 1 1  -49   13    1 o   15.650   0.4383   15.440   0.5117   15.850   0.7118 -0.4081000 0.8766000 
1 1 1  -49   13    2 o   24.260   0.3298   24.940   0.3946   23.590   0.5284 1.343000 0.6595000 
1 1 1  -49   13    3 f   14.860   0.3431   15.100   0.4636   14.630   0.5058 0.4613000 0.6861000 
1 1 1  -49   13    4 o   17.390   0.4964   17.170   0.6138   17.620   0.7804 -0.4547000 0.9929000 
1 1 1  -49   13    5 o   12.760   0.5630   12.810   0.7432   12.710   0.8459 0.9921000E-01 1.126000 
1 1 1  -49   13    6 o   17.060   0.4389   17.880   0.5489   16.240   0.6850 1.641000 0.8777000 
1 1 1  -49   13    7 o   5.5910   1.0730   6.0310   1.3530   5.1510   1.6660 0.8798000 2.146000 
1 1 1  -49   13    8 o   9.2660   0.6906   9.8260   0.8124   8.7060   1.1170 1.120000 1.381000 
1 1 1  -49   13    9 o   4.9250   1.0150   4.7540   1.4630   5.0950   1.4080 -0.3406000 2.030000 
1 1 1  -49   13   10 o   4.5070   0.9350   3.3680   1.3050   5.6460   1.3390 -2.278000 1.870000 
1 1 1  -49   13   11 o   5.0710   0.9513   5.7430   1.1890   4.3990   1.4860 1.344000 1.903000 
1 1 1  -49   13   12 o   10.640   0.5099   10.220   0.6899   11.070   0.7510 -0.8565000 1.020000 
1 1 1  -49   13   13 o   25.200   0.2944   25.390   0.3981   25.020   0.4338 0.3699000 0.5888000 
1 1 1  -49   13   14 o   16.960   0.4442   16.420   0.5794   17.510   0.6734 -1.094000 0.8883000 
1 1 1  -49   13   15 o   24.210   0.6481   23.970   1.1720   24.450   0.5547 -0.4798000 1.296000 
1 1 1  -49   13   16 o   7.6630   0.9813   7.2000   1.4900   8.1270   1.2770 -0.9275000 1.963000 
1 1 1  -49   13   17 o   3.4250   1.0720   3.7110   1.5850   3.1400   1.4430 0.5712000 2.144000 
1 1 1  -49   13   18 o   18.050   0.4737   17.950   0.7031   18.150   0.6351 -0.2050000 0.9475000 
1 1 1  -49   13   19 o   27.460   0.3208   27.390   0.4510   27.530   0.4563 -0.1396000 0.6415000 
1 1 1  -49   13   20 o   9.1240   0.7458   8.8930   1.0330   9.3550   1.0760 -0.4623000 1.492000 
1 1 1  -49   13   21 o   13.500   0.5221   13.380   0.7154   13.610   0.7606 -0.2268000 1.044000 
1 1 1  -49   13   22 o   9.2670   0.7820   9.6410   1.0140   8.8920   1.1910 0.7487000 1.564000 
1 1 1  -49   13   23 o   5.4020   1.2080   6.2080   1.6040   4.5960   1.8080 1.612000 2.416000 
1 1 1  -49   13   24 o   18.460   0.4952   18.380   0.6611   18.530   0.7375 -0.1467000 0.9904000 
1 1 1  -49   13   25 o   7.2330   1.0720   5.3850   1.7160   9.0810   1.2870 -3.697000 2.145000 
1 1 1  -49   13   26 o   5.2210   1.2380   4.7020   1.7120   5.7400   1.7890 -1.038000 2.477000 
1 1 1  -49   13   27 f   3.8190   1.1510   3.8030   1.6220   3.8350   1.6350 -0.3207000E-01 2.303000 
1 1 1  -49   13   28 o   5.1000   2.0930   5.1000   2.0930  ?   ?       ?      ? 
1 1 1  -49   13   29 o   3.0860   1.0710   3.3020   1.5960   2.8690   1.4300 0.4329000 2.143000 
1 1 1  -49   13   30 f   4.6440   1.2190   5.0010   1.7410   4.2870   1.7050 0.7143000 2.437000 
1 1 1  -49   15    1 o   11.900   0.5437   11.770   0.7727   12.030   0.7652 -0.2544000 1.087000 
1 1 1  -49   15    2 o   15.030   0.4045   15.130   0.5694   14.930   0.5747 0.2075000 0.8090000 
1 1 1  -49   15    3 o   15.040   0.3852   15.230   0.5356   14.850   0.5539 0.3806000 0.7705000 
1 1 1  -49   15    4 o   13.600   0.4513   14.260   0.5472   12.950   0.7178 1.313000 0.9026000 
1 1 1  -49   15    5 o   20.640   0.3224   20.920   0.4356   20.350   0.4754 0.5642000 0.6448000 
1 1 1  -49   15    6 o   20.140   0.3295   19.660   0.4570   20.620   0.4746 -0.9587000 0.6589000 
1 1 1  -49   15    7 f   7.2080   0.8231   6.4390   1.2410   7.9780   1.0820 -1.539000 1.646000 
1 1 1  -49   15    8 o   3.9290   1.0000   2.7650   1.2600   5.0940   1.5530 -2.329000 2.000000 
1 1 1  -49   15    9 f   17.780   0.3658   17.850   0.4893   17.700   0.5438 0.1405000 0.7316000 
1 1 1  -49   15   10 o   9.5910   0.6704   9.7480   0.8636   9.4350   1.0260 0.3140000 1.341000 
1 1 1  -49   15   11 o   13.140   0.5043   13.690   0.6141   12.590   0.8001 1.097000 1.009000 
1 1 1  -49   15   12 o   6.8370   1.1260   6.7980   1.2460   6.8760   1.8750 -0.7819000E-01 2.251000 
1 1 1  -49   15   13 o   13.180   0.7127   13.070   0.9186   13.290   1.0900 -0.2178000 1.425000 
1 1 1  -49   15   14 f   22.710   0.4214   22.530   0.6298   22.890   0.5600 -0.3623000 0.8427000 
1 1 1  -49   15   15 f   13.040   0.4994   12.580   0.6838   13.490   0.7279 -0.9145000 0.9987000 
1 1 1  -49   15   16 o   15.830   0.4570   15.540   0.6512   16.130   0.6415 -0.5883000 0.9141000 
1 1 1  -49   15   17 o   11.150   0.6241   10.710   0.8974   11.580   0.8677 -0.8718000 1.248000 
1 1 1  -49   15   18 f   17.970   0.6186  ?   ?    17.970   0.6186      ?      ? 
1 1 1  -49   15   19 o   15.110   0.5764   14.560   0.9130   15.650   0.7038 -1.095000 1.153000 
1 1 1  -49   15   20 o   5.6160   1.2630   5.0420   1.8830   6.1890   1.6840 -1.146000 2.526000 
1 1 1  -49   15   21 o   4.0950   1.1980   3.6210   1.6550   4.5690   1.7320 -0.9479000 2.396000 
1 1 1  -49   15   22 o   6.3110   1.2560   6.5400   1.8260   6.0830   1.7250 0.4571000 2.512000 
1 1 1  -49   15   23 o   10.760   0.8387   10.170   1.1760   11.340   1.1960 -1.177000 1.677000 
1 1 1  -49   15   24 o   13.520   0.6193   14.320   0.7907   12.720   0.9533 1.603000 1.239000 
1 1 1  -49   15   25 o   4.5960   1.2360   4.3520   1.7090   4.8400   1.7870 -0.4876000 2.473000 
1 1 1  -49   15   26 o   6.1090   1.3570   5.8490   1.8960   6.3690   1.9410 -0.5201000 2.714000 
1 1 1  -49   15   27 o   2.9780   1.0150   3.3250   1.5530   2.6320   1.3060 0.6929000 2.029000 
1 1 1  -49   15   28 o   4.0650   1.2400   4.3270   1.7930   3.8030   1.7140 0.5240000 2.480000 
1 1 1  -49   15   29 o   2.6700   0.9102   3.1280   1.4430   2.2120   1.1100 0.9157000 1.820000 
1 1 1  -49   17    1 o   3.7180   1.0360   4.4050   1.5520   3.0320   1.3720 1.373000 2.071000 
1 1 1  -49   17    2 o   7.6330   0.9761   6.8920   1.4090   8.3730   1.3510 -1.481000 1.952000 
1 1 1  -49   17    3 o   21.510   0.4085   21.540   0.5519   21.470   0.6024 0.6848000E-01 0.8170000 
1 1 1  -49   17    4 o   22.610   0.3967   21.820   0.5588   23.390   0.5631 -1.576000 0.7933000 
1 1 1  -49   17    5 o   17.850   0.4527   17.810   0.6303   17.890   0.6499 -0.8429000E-01 0.9054000 
1 1 1  -49   17    6 o   11.810   0.6557   12.480   0.8731   11.150   0.9784 1.332000 1.311000 
1 1 1  -49   17    7 o   15.620   0.5182   15.890   0.7068   15.360   0.7579 0.5358000 1.036000 
1 1 1  -49   17    8 o   5.5280   1.2310   5.8150   1.7080   5.2410   1.7740 0.5744000 2.462000 
1 1 1  -49   17    9 o   10.360   0.7565   10.410   1.0310   10.300   1.1080 0.1111000 1.513000 
1 1 1  -49   17   10 o   7.8020   1.0320   9.7250   1.0840   5.8780   1.7570 3.847000 2.064000 
1 1 1  -49   17   11 o   3.9720   1.1470   3.2360   1.4700   4.7080   1.7620 -1.472000 2.295000 
1 1 1  -49   17   12 o   12.190   0.5537   11.860   0.7534   12.520   0.8117 -0.6646000 1.107000 
1 1 1  -49   17   13 o   16.220   0.4463   15.900   0.6105   16.530   0.6512 -0.6278000 0.8926000 
1 1 1  -49   17   14 o   13.040   0.5406   12.610   0.7350   13.470   0.7929 -0.8641000 1.081000 
1 1 1  -49   17   15 o   4.4720   1.0940   5.4040   1.5490   3.5410   1.5450 1.863000 2.188000 
1 1 1  -49   17   16 o   10.140   0.7208   10.310   0.9120   9.9660   1.1170 0.3472000 1.442000 
1 1 1  -49   17   17 o   8.7480   0.8920   9.7520   0.9804   7.7430   1.4900 2.009000 1.784000 
1 1 1  -49   17   18 o   8.6710   0.8780   8.5310   1.2350   8.8110   1.2490 -0.2798000 1.756000 
1 1 1  -49   17   19 o   6.4360   1.1710   6.3420   1.6290   6.5310   1.6840 -0.1891000 2.343000 
1 1 1  -49   17   20 o   14.820   0.5483   14.920   0.7409   14.720   0.8083 0.1997000 1.097000 
1 1 1  -49   17   21 o   15.450   0.6474   16.810   0.8658   14.090   0.9627 2.720000 1.295000 
1 1 1  -49   17   22 o   14.570   0.8456   13.800   1.4250   15.340   0.9110 -1.537000 1.691000 
1 1 1  -49   17   23 o   5.5490   1.3550   5.2400   2.0150   5.8580   1.8120 -0.6181000 2.710000 
1 1 1  -49   17   24 o   4.5760   1.3250   4.1330   1.8390   5.0200   1.9100 -0.8864000 2.651000 
1 1 1  -49   17   25 o   3.2310   1.0820   3.2000   1.5200   3.2620   1.5420 -0.6201000E-01 2.165000 
1 1 1  -49   17   26 o   2.9920   0.9983   2.6260   1.2820   3.3580   1.5310 -0.7324000 1.997000 
1 1 1  -49   17   27 o   3.3240   1.0940   2.5580   1.2760   4.0890   1.7770 -1.531000 2.188000 
1 1 1  -49   19    1 o   4.9980   1.1480   4.5890   1.6010   5.4070   1.6470 -0.8178000 2.297000 
1 1 1  -49   19    2 o   8.4220   0.8217   7.5060   1.2810   9.3370   1.0300 -1.832000 1.643000 
1 1 1  -49   19    3 o   11.050   0.6138   10.820   0.8679   11.270   0.8683 -0.4537000 1.228000 
1 1 1  -49   19    4 o   4.0810   1.1180   4.6110   1.6260   3.5510   1.5340 1.061000 2.236000 
1 1 1  -49   19    5 o   17.450   0.4312   17.380   0.5827   17.520   0.6356 -0.1402000 0.8623000 
1 1 1  -49   19    6 o   4.2120   1.1540   4.2690   1.6180   4.1560   1.6470 0.1122000 2.309000 
1 1 1  -49   19    7 o   12.670   0.5819   13.520   0.7380   11.810   0.8998 1.713000 1.164000 
1 1 1  -49   19    8 f   9.0990   0.8009   9.0510   1.0760   9.1480   1.1860 -0.9656000E-01 1.602000 
1 1 1  -49   19    9 o   3.8430   1.0760   4.6070   1.6190   3.0780   1.4180 1.529000 2.153000 
1 1 1  -49   19   10 o   9.3370   0.7642   9.2080   1.0300   9.4670   1.1300 -0.2592000 1.528000 
1 1 1  -49   19   11 o   4.9700   1.1870   4.6880   1.6370   5.2510   1.7200 -0.5632000 2.375000 
1 1 1  -49   19   12 f   6.0470   1.0900   7.4260   1.3500   4.6680   1.7110 2.758000 2.180000 
1 1 1  -49   19   13 o   5.5800   0.9993   7.7430   1.2880   3.4170   1.5280 4.325000 1.999000 
1 1 1  -49   19   14 o   16.990   0.4593   17.690   0.6009   16.300   0.6949 1.382000 0.9187000 
1 1 1  -49   19   15 o   13.090   0.6063   13.910   0.7591   12.280   0.9455 1.635000 1.213000 
1 1 1  -49   19   16 o   5.0780   1.1330   6.3240   1.5710   3.8320   1.6340 2.492000 2.267000 
1 1 1  -49   19   17 f   7.8630   1.0020   7.9740   1.3130   7.7520   1.5140 0.2223000 2.004000 
1 1 1  -49   19   18 o   4.4790   1.2120   4.7240   1.7010   4.2340   1.7280 0.4898000 2.425000 
1 1 1  -49   19   19 o   7.1510   1.1440   5.3890   1.8690   8.9120   1.3190 -3.523000 2.287000 
1 1 1  -49   19   20 o   13.350   0.7194   12.310   1.0600   14.390   0.9724 -2.079000 1.439000 
1 1 1  -49   19   21 o   4.2140   1.3260   3.8940   1.7740   4.5340   1.9720 -0.6393000 2.652000 
1 1 1  -49   19   22 o   11.700   0.8712   13.290   1.0450   10.110   1.3940 3.177000 1.742000 
1 1 1  -49   19   23 o   3.1890   1.0440   2.8220   1.3570   3.5550   1.5880 -0.7323000 2.089000 
1 1 1  -49   19   24 o   3.9000   1.1860   4.4050   1.8060   3.3960   1.5380 1.009000 2.373000 
1 1 1  -49   19   25 o   2.6790   0.9483   3.1780   1.5460   2.1790   1.0980 0.9994000 1.897000 
1 1 1  -49   19   26 o   2.1170   0.7764   2.0990   1.0880   2.1350   1.1080 -0.3615000E-01 1.553000 
1 1 1  -49   21    1 o   5.0150   1.2220   5.1150   1.7110   4.9160   1.7440 0.1987000 2.443000 
1 1 1  -49   21    2 o   14.510   0.5317   14.470   0.7378   14.550   0.7657 -0.8153000E-01 1.063000 
1 1 1  -49   21    3 o   4.8110   1.2010   4.2960   1.6660   5.3260   1.7300 -1.029000 2.402000 
1 1 1  -49   21    4 o   3.7690   1.1370   3.6730   1.5730   3.8650   1.6430 -0.1918000 2.275000 
1 1 1  -49   21    5 o   11.710   0.6719   12.210   0.8684   11.200   1.0250 1.017000 1.344000 
1 1 1  -49   21    6 o   3.2690   1.0300   3.9670   1.6300   2.5710   1.2600 1.396000 2.060000 
1 1 1  -49   21    7 o   6.8170   1.1220   6.2840   1.6270   7.3500   1.5460 -1.066000 2.244000 
1 1 1  -49   21    8 o   10.730   0.7759   12.040   1.0230   9.4260   1.1670 2.611000 1.552000 
1 1 1  -49   21    9 o   7.1890   1.0140   9.8440   1.0690   4.5350   1.7230 5.309000 2.028000 
1 1 1  -49   21   10 o   3.6580   1.1130   3.7740   1.5890   3.5420   1.5600 0.2320000 2.227000 
1 1 1  -49   21   11 o   8.7370   0.9284   7.1320   1.5000   10.340   1.0950 -3.208000 1.857000 
1 1 1  -49   21   12 o   15.640   0.5055   15.040   0.7140   16.240   0.7157 -1.199000 1.011000 
1 1 1  -49   21   13 o   4.1530   1.1770   4.3680   1.6800   3.9370   1.6490 0.4315000 2.354000 
1 1 1  -49   21   14 o   9.5230   0.8409   10.080   1.0680   8.9660   1.2990 1.115000 1.682000 
1 1 1  -49   21   15 o   14.040   0.5792   14.670   0.7750   13.420   0.8608 1.250000 1.158000 
1 1 1  -49   21   16 o   9.5020   0.9421   8.8250   1.4970   10.180   1.1450 -1.354000 1.884000 
1 1 1  -49   21   17 o   4.7380   1.2840   5.5810   1.9150   3.8960   1.7110 1.685000 2.568000 
1 1 1  -49   21   18 o   3.2550   1.1130   3.6630   1.7170   2.8480   1.4160 0.8144000 2.225000 
1 1 1  -49   21   19 o   3.3500   1.1060   2.8650   1.3950   3.8350   1.7180 -0.9700000 2.213000 
1 1 1  -49   21   20 o   3.9050   1.1680   3.7770   1.6210   4.0340   1.6820 -0.2568000 2.336000 
1 1 1  -49   21   21 o   3.2660   1.0600   2.9880   1.4290   3.5440   1.5660 -0.5564000 2.120000 
1 1 1  -49   21   22 o   2.4900   0.8693   2.4750   1.2240   2.5050   1.2340 -0.3000000E-01 1.739000 
1 1 1  -49   21   23 o   5.9310   1.2230   6.3050   1.7010   5.5580   1.7580 0.7469000 2.447000 
1 1 1  -49   21   24 o   1.9200   0.9979   1.9200   0.9979  ?   ?       ?      ? 
1 1 1  -49   23    1 o   4.6540   1.2750   5.0000   1.8390   4.3090   1.7660 0.6915000 2.550000 
1 1 1  -49   23    2 o   3.8820   1.1750   3.3740   1.5530   4.3890   1.7630 -1.015000 2.349000 
1 1 1  -49   23    3 o   7.1520   1.2070   7.3090   1.7210   6.9960   1.6940 0.3127000 2.415000 
1 1 1  -49   23    4 o   6.4470   1.2710   6.2160   1.8870   6.6770   1.7040 -0.4610000 2.542000 
1 1 1  -49   23    5 o   3.9320   1.1830   4.5840   1.8200   3.2800   1.5110 1.304000 2.366000 
1 1 1  -49   23    6 o   4.1540   1.2210   4.2610   1.7760   4.0470   1.6760 0.2144000 2.442000 
1 1 1  -49   23    7 o   3.5500   1.1260   4.1290   1.7420   2.9700   1.4250 1.158000 2.251000 
1 1 1  -49   23    8 o   10.120   0.9057   10.400   1.2690   9.8340   1.2930 0.5677000 1.811000 
1 1 1  -49   23    9 o   7.2380   1.2190   8.0110   1.6130   6.4650   1.8290 1.546000 2.439000 
1 1 1  -49   23   10 o   3.4890   1.1210   3.0680   1.4590   3.9100   1.7030 -0.8419000 2.242000 
1 1 1  -49   23   11 o   3.5740   1.1370   3.8610   1.6800   3.2860   1.5320 0.5749000 2.274000 
1 1 1  -49   23   12 f   3.6810   1.1590   3.8030   1.6620   3.5580   1.6170 0.2446000 2.319000 
1 1 1  -49   23   13 o   15.300   0.6168   16.070   0.8267   14.520   0.9156 1.553000 1.234000 
1 1 1  -49   23   14 o   6.1690   1.2980   6.4930   1.6750   5.8440   1.9840 0.6495000 2.597000 
1 1 1  -49   23   15 o   4.4450   1.2970   4.2370   1.7820   4.6520   1.8850 -0.4156000 2.594000 
1 1 1  -49   23   16 o   6.2890   1.3650   6.0510   1.9050   6.5280   1.9540 -0.4773000 2.729000 
1 1 1  -49   23   17 o   2.5990   0.9089   2.8890   1.4020   2.3100   1.1570 0.5791000 1.818000 
1 1 1  -49   23   18 o   2.8790   0.9676   2.4530   1.2120   3.3050   1.5080 -0.8515000 1.935000 
1 1 1  -49   23   19 o   2.7480   0.9387   2.7220   1.3170   2.7750   1.3380 -0.5269000E-01 1.877000 
1 1 1  -49   23   20 o   4.4940   1.1110   5.9570   1.7110   3.0320   1.4180 2.924000 2.222000 
1 1 1  -49   23   21 o   2.2380   0.8099   2.3610   1.2000   2.1150   1.0880 0.2457000 1.620000 
1 1 1  -49   25    1 o   5.3060   1.2140   3.6210   1.6730   6.9900   1.7610 -3.370000 2.429000 
1 1 1  -49   25    2 o   6.6380   1.3160   8.4950   1.7250   4.7800   1.9870 3.715000 2.631000 
1 1 1  -49   25    3 o   8.4660   1.3790   8.7590   1.6870   8.1740   2.1820 0.5848000 2.758000 
1 1 1  -49   25    4 o   6.6120   1.4150   7.7260   1.8230   5.4990   2.1640 2.228000 2.829000 
1 1 1  -49   25    5 o   4.6060   1.3340   5.0370   1.9250   4.1760   1.8460 0.8606000 2.667000 
1 1 1  -49   25    6 o   4.0800   1.2370   2.9550   1.4380   5.2040   2.0130 -2.250000 2.474000 
1 1 1  -49   25    7 o   3.8640   1.2310   3.7310   1.6900   3.9980   1.7890 -0.2677000 2.462000 
1 1 1  -49   25    8 o   3.1150   1.0650   2.9370   1.4310   3.2930   1.5770 -0.3560000 2.130000 
1 1 1  -49   25    9 o   4.5180   1.2980   5.2010   1.9240   3.8360   1.7420 1.366000 2.596000 
1 1 1  -49   25   10 o   3.3950   1.1310   3.2960   1.5560   3.4940   1.6400 -0.1979000 2.261000 
1 1 1  -49   25   11 o   2.8110   0.9790   2.9590   1.4360   2.6640   1.3310 0.2950000 1.958000 
1 1 1  -49   25   12 o   2.6250   0.9261   2.2450   1.1370   3.0040   1.4620 -0.7585000 1.852000 
1 1 1  -49   25   13 o   5.7510   1.2310   6.1020   1.7090   5.4000   1.7730 0.7026000 2.462000 
1 1 1  -49   25   14 o   3.3560   1.0750   3.3380   1.5170   3.3750   1.5230 -0.3690000E-01 2.150000 
1 1 1  -49   25   15 o   2.1650   0.7708   2.0660   1.0460   2.2640   1.1320 -0.1989000 1.542000 
1 1 1  -49   25   16 o   2.0400   0.7311   2.0160   1.0230   2.0640   1.0450 -0.4879000E-01 1.462000 
1 1 1  -49   25   17 o   2.5170   0.8820   2.5680   1.2680   2.4650   1.2260 0.1023000 1.764000 
1 1 1  -49   27    1 o   3.9280   1.2080   3.5390   1.6090   4.3180   1.8010 -0.7791000 2.415000 
1 1 1  -49   27    2 o   3.7190   1.1710   4.0330   1.7270   3.4040   1.5820 0.6283000 2.342000 
1 1 1  -49   27    3 o   2.7080   0.9407   2.7770   1.3540   2.6400   1.3060 0.1380000 1.881000 
1 1 1  -49   27    4 o   4.5590   1.1590   5.8740   1.7450   3.2440   1.5260 2.630000 2.318000 
1 1 1  -49   27    5 o   6.3920   1.2250   7.0120   1.6050   5.7710   1.8510 1.241000 2.450000 
1 1 1  -49   27    6 o   2.7170   0.9387   2.5530   1.2520   2.8810   1.3990 -0.3289000 1.877000 
1 1 1  -49   27    7 o   6.1080   1.2730   7.2790   1.7240   4.9370   1.8740 2.342000 2.547000 
1 1 1  -49   27    8 o   4.3580   1.2560   4.7200   1.8270   3.9970   1.7230 0.7232000 2.512000 
1 1 1  -49   27    9 o   2.6590   0.9221   2.1170   1.0750   3.2010   1.4990 -1.084000 1.844000 
1 1 1  -49   27   10 o   2.4160   0.8525   2.4770   1.2310   2.3560   1.1800 0.1209000 1.705000 
1 1 1  -49   27   11 f   2.2940   0.8151   2.1800   1.1020   2.4080   1.2020 -0.2289000 1.630000 
1 1 1  -49   27   12 o   2.5250   1.2930  ?   ?    2.5250   1.2930      ?      ? 
1 1 1  -48    0    1 o   64.860   0.6028   64.860   0.6028   64.860   0.6028 -0.000000 0.000000 
1 1 1  -48    0    2 o   34.910   0.4105   34.910   0.4105   34.910   0.4105 0.000000 0.000000 
1 1 1  -48    0    3 o   13.480   0.6429   13.480   0.6429   13.480   0.6429 0.000000 0.000000 
1 1 1  -48    0    4 o   5.7650   1.6480   5.7650   1.6480   5.7650   1.6480 -0.000000 0.000000 
1 1 1  -48    0    5 o   5.8420   1.5690   5.8420   1.5690   5.8420   1.5690 0.000000 0.000000 
1 1 1  -48    0    6 o   22.140   0.4067   22.140   0.4067   22.140   0.4067 0.000000 0.000000 
1 1 1  -48    0    7 f   16.500   0.4665   16.500   0.4665   16.500   0.4665 -0.000000 0.000000 
1 1 1  -48    0    8 o   12.910   0.5316   12.910   0.5316   12.910   0.5316 0.000000 0.000000 
1 1 1  -48    0    9 o   21.410   0.4539   21.410   0.4539   21.410   0.4539 -0.000000 0.000000 
1 1 1  -48    0   10 o   11.260   0.5900   11.260   0.5900   11.260   0.5900 0.000000 0.000000 
1 1 1  -48    0   11 o   2.4090   1.4580   2.4090   1.4580   2.4090   1.4580 0.000000 0.000000 
1 1 1  -48    0   12 o   3.4400   1.6340   3.4400   1.6340   3.4400   1.6340 -0.000000 0.000000 
1 1 1  -48    0   13 o   37.600   0.5459   37.600   0.5459   37.600   0.5459 -0.000000 0.000000 
1 1 1  -48    0   14 o   1.9160   1.3260   1.9160   1.3260   1.9160   1.3260 -0.000000 0.000000 
1 1 1  -48    0   15 o   30.980   0.3737   30.980   0.3737   30.980   0.3737 -0.000000 0.000000 
1 1 1  -48    0   16 o   10.200   0.6967   10.200   0.6967   10.200   0.6967 0.000000 0.000000 
1 1 1  -48    0   17 o   13.700   0.5358   13.700   0.5358   13.700   0.5358 0.000000 0.000000 
1 1 1  -48    0   18 o   26.950   0.3845   26.950   0.3845   26.950   0.3845 0.000000 0.000000 
1 1 1  -48    0   19 o   33.210   0.3936   33.210   0.3936   33.210   0.3936 0.000000 0.000000 
1 1 1  -48    0   20 o   2.5380   1.5480   2.5380   1.5480   2.5380   1.5480 -0.000000 0.000000 
1 1 1  -48    0   21 o   6.4670   1.3140   6.4670   1.3140   6.4670   1.3140 0.000000 0.000000 
1 1 1  -48    0   22 o   10.440   0.7578   10.440   0.7578   10.440   0.7578 0.000000 0.000000 
1 1 1  -48    0   23 o   8.9660   1.3100   8.9660   1.3100   8.9660   1.3100 -0.000000 0.000000 
1 1 1  -48    0   24 o   10.230   0.8260   10.230   0.8260   10.230   0.8260 -0.000000 0.000000 
1 1 1  -48    0   25 o   18.540   0.5106   18.540   0.5106   18.540   0.5106 -0.000000 0.000000 
1 1 1  -48    0   26 o   23.150   0.4605   23.150   0.4605   23.150   0.4605 -0.000000 0.000000 
1 1 1  -48    0   27 o   9.8480   1.0010   9.8480   1.0010   9.8480   1.0010 -0.000000 0.000000 
1 1 1  -48    0   28 o   4.3270   2.3750   4.3270   2.3750   4.3270   2.3750 -0.000000 0.000000 
1 1 1  -48    0   29 o   4.0090   2.0410   4.0090   2.0410   4.0090   2.0410 -0.000000 0.000000 
1 1 1  -48    0   30 o   6.1850   2.2360   6.1850   2.2360   6.1850   2.2360 0.000000 0.000000 
1 1 1  -48    0   31 o   2.2310   1.5300   2.2310   1.5300   2.2310   1.5300 -0.000000 0.000000 
1 1 1  -48    0   32 o   1.6750   1.2130   1.6750   1.2130   1.6750   1.2130 0.000000 0.000000 
1 1 1  -48    0   33 o   1.7910   1.2830   1.7910   1.2830   1.7910   1.2830 -0.000000 0.000000 
1 1 1  -48    0   34 o   1.6030   1.1670   1.6030   1.1670   1.6030   1.1670 0.000000 0.000000 
1 1 1  -48    2    1 o   22.880   0.3902   23.530   0.6397   22.240   0.4469 1.290000 0.7804000 
1 1 1  -48    2    2 o   33.380   0.3904   33.330   0.5554   33.420   0.5488 -0.8918000E-01 0.7808000 
1 1 1  -48    2    3 o   10.120   0.6264   10.140   0.9283   10.110   0.8412 0.2265000E-01 1.253000 
1 1 1  -48    2    4 f   29.270   0.3364   30.530   0.4983   28.000   0.4520 2.524000 0.6728000 
1 1 1  -48    2    5 o   46.800   0.3238   47.030   0.4590   46.570   0.4570 0.4550000 0.6477000 
1 1 1  -48    2    6 o   23.060   0.2553   22.930   0.3673   23.180   0.3548 -0.2465000 0.5107000 
1 1 1  -48    2    7 o   34.620   0.2984   34.060   0.4626   35.190   0.3771 -1.129000 0.5968000 
1 1 1  -48    2    8 o   30.150   0.3037   29.840   0.4221   30.470   0.4367 -0.6354000 0.6073000 
1 1 1  -48    2    9 o   21.410   0.3224   21.160   0.4504   21.660   0.4615 -0.4985000 0.6449000 
1 1 1  -48    2   10 o   8.9800   0.6191   9.2050   0.9861   8.7540   0.7489 0.4517000 1.238000 
1 1 1  -48    2   11 o   29.990   0.2886   30.320   0.4132   29.670   0.4030 0.6547000 0.5772000 
1 1 1  -48    2   12 f   30.260   0.2635   30.590   0.3760   29.930   0.3693 0.6608000 0.5270000 
1 1 1  -48    2   13 o   21.550   0.2774   21.820   0.3996   21.280   0.3849 0.5378000 0.5548000 
1 1 1  -48    2   14 o   27.780   0.2653   27.490   0.3800   28.060   0.3703 -0.5666000 0.5306000 
1 1 1  -48    2   15 o   9.7090   0.6244   8.8100   0.9889   10.610   0.7625 -1.798000 1.249000 
1 1 1  -48    2   16 f   15.240   0.3507   15.310   0.4985   15.160   0.4934 0.1503000 0.7014000 
1 1 1  -48    2   17 o   8.1190   0.6363   7.3070   0.9988   8.9300   0.7885 -1.623000 1.273000 
1 1 1  -48    2   18 o   28.760   0.2713   28.740   0.3872   28.780   0.3800 -0.3893000E-01 0.5425000 
1 1 1  -48    2   19 o   10.690   0.4930   10.330   0.7175   11.040   0.6763 -0.7092000 0.9860000 
1 1 1  -48    2   20 o   9.0820   0.6066   7.7980   0.9660   10.370   0.7342 -2.569000 1.213000 
1 1 1  -48    2   21 o   6.9300   0.8076   7.1920   1.0830   6.6680   1.1990 0.5243000 1.615000 
1 1 1  -48    2   22 o   11.160   0.5882   10.900   0.8889   11.420   0.7706 -0.5202000 1.176000 
1 1 1  -48    2   23 o   9.1070   0.6974   9.2850   0.8747   8.9290   1.0860 0.3564000 1.395000 
1 1 1  -48    2   24 o   21.510   0.3730   21.810   0.4977   21.220   0.5557 0.5914000 0.7460000 
1 1 1  -48    2   25 o   6.3010   0.9742   7.6200   1.1660   4.9820   1.5610 2.639000 1.948000 
1 1 1  -48    2   26 o   21.080   0.3560   21.680   0.4983   20.490   0.5085 1.184000 0.7119000 
1 1 1  -48    2   27 o   13.410   0.6144   13.880   0.8362   12.940   0.9003 0.9398000 1.229000 
1 1 1  -48    2   28 o   9.3260   0.9336   8.6050   1.4300   10.050   1.2010 -1.443000 1.867000 
1 1 1  -48    2   29 o   10.330   0.9103   9.8900   1.3670   10.780   1.2020 -0.8855000 1.821000 
1 1 1  -48    2   30 o   6.7050   1.1460   5.4200   1.7760   7.9890   1.4480 -2.569000 2.291000 
1 1 1  -48    2   31 o   11.410   0.7100   11.920   0.9653   10.890   1.0410 1.031000 1.420000 
1 1 1  -48    2   32 o   12.000   0.6870   11.460   1.0220   12.540   0.9185 -1.090000 1.374000 
1 1 1  -48    2   33 o   4.4760   1.1900   5.2110   1.7510   3.7420   1.6120 1.469000 2.380000 
1 1 1  -48    2   34 o   2.6540   0.9170   2.8560   1.3620   2.4520   1.2280 0.4040000 1.834000 
1 1 1  -48    4    1 o   9.0820   0.6151   8.8700   0.9541   9.2940   0.7764 -0.4239000 1.230000 
1 1 1  -48    4    2 o   13.180   0.3337   12.930   0.5135   13.430   0.4263 -0.5058000 0.6674000 
1 1 1  -48    4    3 o   13.200   0.8541   13.590   1.0570   12.810   1.3420 0.7807000 1.708000 
1 1 1  -48    4    4 o   20.870   0.5763   20.490   0.7600   21.240   0.8665 -0.7445000 1.153000 
1 1 1  -48    4    5 o   23.710   0.5168   23.740   0.6863   23.680   0.7728 0.6299000E-01 1.034000 
1 1 1  -48    4    6 o   33.850   0.5385   34.260   0.6208   33.430   0.8800 0.8268000 1.077000 
1 1 1  -48    4    7 o   36.500   0.6169   36.500   0.6169  ?   ?       ?      ? 
1 1 1  -48    4    8 o   28.130   0.4298   28.140   0.6070   28.110   0.6087 0.2922000E-01 0.8596000 
1 1 1  -48    4    9 o   10.470   0.8749   11.300   1.1340   9.6430   1.3330 1.661000 1.750000 
1 1 1  -48    4   10 o   6.5970   0.7982   6.0640   1.1010   7.1310   1.1550 -1.067000 1.596000 
1 1 1  -48    4   11 o   16.560   0.3883   15.720   0.5584   17.410   0.5399 -1.695000 0.7767000 
1 1 1  -48    4   12 o   13.310   0.3858   13.320   0.5684   13.290   0.5217 0.3549000E-01 0.7715000 
1 1 1  -48    4   13 o   18.860   0.3254   19.500   0.4991   18.220   0.4177 1.277000 0.6508000 
1 1 1  -48    4   14 o   6.5180   0.8190   5.9160   1.3000   7.1200   0.9966 -1.204000 1.638000 
1 1 1  -48    4   15 o   28.330   0.2688   28.470   0.3866   28.190   0.3737 0.2845000 0.5377000 
1 1 1  -48    4   16 o   14.870   0.4468   14.820   0.6517   14.910   0.6115 -0.8595000E-01 0.8937000 
1 1 1  -48    4   17 o   12.620   0.4165   12.370   0.5929   12.870   0.5850 -0.4973000 0.8329000 
1 1 1  -48    4   18 o   9.2070   0.5785   10.010   0.7422   8.4050   0.8876 1.603000 1.157000 
1 1 1  -48    4   19 o   12.930   0.4196   12.710   0.5960   13.140   0.5909 -0.4280000 0.8392000 
1 1 1  -48    4   20 o   19.870   0.3627   20.210   0.5202   19.540   0.5056 0.6708000 0.7255000 
1 1 1  -48    4   21 f   19.010   0.3845   18.640   0.5710   19.380   0.5152 -0.7451000 0.7691000 
1 1 1  -48    4   22 o   8.9320   0.6439   8.6960   0.9327   9.1680   0.8879 -0.4715000 1.288000 
1 1 1  -48    4   23 o   8.4780   0.7193   9.1120   0.9191   7.8430   1.1070 1.269000 1.439000 
1 1 1  -48    4   24 o   13.360   0.5173   13.180   0.6999   13.540   0.7619 -0.3564000 1.035000 
1 1 1  -48    4   25 o   14.250   0.4659   14.430   0.6381   14.070   0.6790 0.3667000 0.9318000 
1 1 1  -48    4   26 o   3.6380   1.1010   4.1080   1.6410   3.1680   1.4680 0.9395000 2.201000 
1 1 1  -48    4   27 o   3.0420   0.9795   3.2980   1.4440   2.7860   1.3240 0.5113000 1.959000 
1 1 1  -48    4   28 o   7.1140   1.0390   6.4820   1.5360   7.7460   1.4010 -1.264000 2.079000 
1 1 1  -48    4   29 o   4.3060   1.2740   4.5620   1.8480   4.0510   1.7530 0.5111000 2.547000 
1 1 1  -48    4   30 o   8.7020   0.9264   9.0320   1.2110   8.3710   1.4020 0.6611000 1.853000 
1 1 1  -48    4   31 o   12.240   0.6621   12.460   0.8853   12.010   0.9849 0.4488000 1.324000 
1 1 1  -48    4   32 o   8.0400   1.0160   8.1560   1.3640   7.9240   1.5060 0.2317000 2.031000 
1 1 1  -48    4   33 o   2.4170   0.8456   2.1420   1.0780   2.6910   1.3030 -0.5490000 1.691000 
1 1 1  -48    6    1 o   20.540   0.2972   20.490   0.4477   20.590   0.3910 -0.9598000E-01 0.5944000 
1 1 1  -48    6    2 o   14.930   1.2380  ?   ?    14.930   1.2380      ?      ? 
1 1 1  -48    6    3 o   13.900   1.3060  ?   ?    13.900   1.3060      ?      ? 
1 1 1  -48    6    4 o   15.670   1.1750  ?   ?    15.670   1.1750      ?      ? 
1 1 1  -48    6    5 o   12.570   1.4160  ?   ?    12.570   1.4160      ?      ? 
1 1 1  -48    6    6 o   8.0040   1.5410   9.6220   2.2990   6.3860   2.0540 3.236000 3.083000 
1 1 1  -48    6    7 o   46.380   0.4899   45.830   0.6872   46.920   0.6984 -1.083000 0.9798000 
1 1 1  -48    6    8 f   34.690   0.4415   34.590   0.6258   34.800   0.6231 -0.2123000 0.8831000 
1 1 1  -48    6    9 o   13.740   0.7042   13.840   0.9950   13.650   0.9967 0.1869000 1.408000 
1 1 1  -48    6   10 o   16.430   0.5942   16.620   0.8452   16.250   0.8353 0.3709000 1.188000 
1 1 1  -48    6   11 o   12.390   0.3729   12.610   0.5322   12.180   0.5226 0.4281000 0.7459000 
1 1 1  -48    6   12 o   28.790   0.3102   28.900   0.4369   28.680   0.4405 0.2235000 0.6204000 
1 1 1  -48    6   13 o   13.380   0.3806   13.450   0.5441   13.310   0.5323 0.1463000 0.7612000 
1 1 1  -48    6   14 o   13.140   0.3938   13.390   0.5592   12.890   0.5546 0.4937000 0.7876000 
1 1 1  -48    6   15 o   19.540   0.3025   19.250   0.4375   19.830   0.4179 -0.5764000 0.6050000 
1 1 1  -48    6   16 o   6.0720   1.0820   5.6930   1.6000   6.4510   1.4580 -0.7584000 2.165000 
1 1 1  -48    6   17 o   11.670   0.4531   11.580   0.6353   11.760   0.6461 -0.1819000 0.9061000 
1 1 1  -48    6   18 o   9.5030   0.6650   9.8050   0.9236   9.2000   0.9571 0.6049000 1.330000 
1 1 1  -48    6   19 o   15.950   0.4253   15.480   0.6216   16.430   0.5805 -0.9562000 0.8505000 
1 1 1  -48    6   20 o   3.1420   0.9526   2.8010   1.2630   3.4820   1.4260 -0.6812000 1.905000 
1 1 1  -48    6   21 o   22.060   0.3096   22.010   0.4343   22.120   0.4412 -0.1044000 0.6191000 
1 1 1  -48    6   22 o   4.0540   0.9856   5.1080   1.4450   3.0000   1.3410 2.108000 1.971000 
1 1 1  -48    6   23 o   7.2520   0.8350   7.2600   1.1530   7.2440   1.2080 0.1588000E-01 1.670000 
1 1 1  -48    6   24 f   11.100   0.6480   11.460   0.8280   10.740   0.9970 0.7142000 1.296000 
1 1 1  -48    6   25 o   4.3290   1.1960   4.3400   1.6820   4.3170   1.7020 0.2388000E-01 2.393000 
1 1 1  -48    6   26 o   10.810   0.6443   9.9960   0.9673   11.630   0.8513 -1.632000 1.289000 
1 1 1  -48    6   27 o   7.9170   0.9296   6.8880   1.4450   8.9450   1.1700 -2.057000 1.859000 
1 1 1  -48    6   28 o   12.300   0.6138   11.700   0.8791   12.900   0.8569 -1.201000 1.228000 
1 1 1  -48    6   29 o   6.7720   1.2140   8.6700   1.5010   4.8740   1.9090 3.796000 2.428000 
1 1 1  -48    6   30 o   7.1010   1.0170   4.1710   1.6640   10.030   1.1720 -5.861000 2.035000 
1 1 1  -48    6   31 o   5.9370   1.2360   5.7850   1.7160   6.0890   1.7780 -0.3042000 2.472000 
1 1 1  -48    6   32 o   3.1880   1.0370   3.1600   1.4510   3.2170   1.4820 -0.5728000E-01 2.074000 
1 1 1  -48    6   33 o   3.8070   1.1560   2.9460   1.4150   4.6680   1.8290 -1.723000 2.312000 
1 1 1  -48    8    1 o   11.980   0.4219   11.970   0.6010   11.980   0.5923 -0.1613000E-01 0.8438000 
1 1 1  -48    8    2 o   18.070   0.6984   18.770   0.8835   17.370   1.0820 1.401000 1.397000 
1 1 1  -48    8    3 o   15.540   0.7868   15.030   1.0370   16.060   1.1840 -1.027000 1.574000 
1 1 1  -48    8    4 o   21.900   0.6049   22.820   0.7546   20.980   0.9457 1.840000 1.210000 
1 1 1  -48    8    5 o   9.6010   1.6270   10.140   2.0650   9.0650   2.5140 1.072000 3.254000 
1 1 1  -48    8    6 o   34.630   0.6496  ?   ?    34.630   0.6496      ?      ? 
1 1 1  -48    8    7 o   17.590   0.8990  ?   ?    17.590   0.8990      ?      ? 
1 1 1  -48    8    8 o   9.7040   1.5710  ?   ?    9.7040   1.5710      ?      ? 
1 1 1  -48    8    9 o   19.030   0.8019  ?   ?    19.030   0.8019      ?      ? 
1 1 1  -48    8   10 o   23.800   0.6842  ?   ?    23.800   0.6842      ?      ? 
1 1 1  -48    8   11 o   40.170   0.4319   40.350   0.7584   39.990   0.4134 0.3655000 0.8638000 
1 1 1  -48    8   12 o   4.5060   0.9991   4.8910   1.3660   4.1200   1.4580 0.7712000 1.998000 
1 1 1  -48    8   13 o   13.700   0.3787   13.470   0.5424   13.930   0.5287 -0.4639000 0.7574000 
1 1 1  -48    8   14 o   11.320   0.4588   10.330   0.7010   12.300   0.5919 -1.972000 0.9175000 
1 1 1  -48    8   15 o   7.8210   0.6904   8.3580   0.9170   7.2840   1.0320 1.074000 1.381000 
1 1 1  -48    8   16 o   6.6500   1.3170   7.9490   1.8820   5.3510   1.8420 2.598000 2.634000 
1 1 1  -48    8   17 o   9.5540   1.0580   8.1210   1.9400   10.990   0.8464 -2.866000 2.117000 
1 1 1  -48    8   18 o   8.0230   0.7166   7.1150   1.1130   8.9310   0.9031 -1.816000 1.433000 
1 1 1  -48    8   19 o   9.9900   0.5752   10.630   0.7552   9.3550   0.8679 1.271000 1.150000 
1 1 1  -48    8   20 o   31.540   0.2934   31.470   0.4164   31.620   0.4135 -0.1427000 0.5868000 
1 1 1  -48    8   21 o   12.740   0.4766   12.530   0.6702   12.950   0.6780 -0.4244000 0.9533000 
1 1 1  -48    8   22 o   15.290   0.4202   15.720   0.5684   14.860   0.6189 0.8542000 0.8403000 
1 1 1  -48    8   23 f   5.5240   1.1480   5.8750   1.5690   5.1740   1.6760 0.7011000 2.296000 
1 1 1  -48    8   24 o   7.0450   1.0250   6.1820   1.5330   7.9080   1.3610 -1.726000 2.050000 
1 1 1  -48    8   25 o   7.4390   0.9806   7.5100   1.3860   7.3670   1.3870 0.1429000 1.961000 
1 1 1  -48    8   26 f   15.720   0.4724   15.050   0.6772   16.390   0.6590 -1.337000 0.9449000 
1 1 1  -48    8   27 o   7.0690   1.0570   7.1010   1.4140   7.0370   1.5720 0.6390000E-01 2.114000 
1 1 1  -48    8   28 o   2.8620   0.9606   2.7660   1.3140   2.9590   1.4020 -0.1931000 1.921000 
1 1 1  -48    8   29 o   11.600   0.8147   11.340   1.1210   11.860   1.1820 -0.5250000 1.629000 
1 1 1  -48    8   30 o   4.2780   1.1940   3.7950   1.6040   4.7620   1.7690 -0.9671000 2.388000 
1 1 1  -48    8   31 o   4.1060   1.1520   4.9000   1.7350   3.3130   1.5150 1.587000 2.304000 
1 1 1  -48    8   32 o   2.4980   0.8785   2.4060   1.2000   2.5890   1.2830 -0.1837000 1.757000 
1 1 1  -48   10    1 o   16.200   0.4832   16.470   0.6801   15.930   0.6867 0.5367000 0.9665000 
1 1 1  -48   10    2 o   9.0550   0.4822   8.9810   0.6587   9.1290   0.7045 -0.1483000 0.9645000 
1 1 1  -48   10    3 o   16.780   0.7534   17.000   0.9691   16.560   1.1540 0.4491000 1.507000 
1 1 1  -48   10    4 o   16.710   0.7350   16.320   0.9894   17.090   1.0870 -0.7757000 1.470000 
1 1 1  -48   10    5 o   8.0300   1.3620   7.6290   1.9820   8.4310   1.8670 -0.8021000 2.723000 
1 1 1  -48   10    6 o   16.510   0.6682   16.450   0.9584   16.570   0.9313 -0.1195000 1.336000 
1 1 1  -48   10    7 o   8.7880   1.2370   10.230   1.4800   7.3500   1.9830 2.875000 2.475000 
1 1 1  -48   10    8 o   14.340   0.7369   14.970   0.9902   13.700   1.0920 1.273000 1.474000 
1 1 1  -48   10    9 o   7.0340   1.3610   7.3870   1.8830   6.6820   1.9660 0.7046000 2.723000 
1 1 1  -48   10   10 o   21.000   0.2404   21.130   0.3257   20.870   0.3537 0.2576000 0.4809000 
1 1 1  -48   10   11 o   30.420   0.3789   30.220   0.6057   30.620   0.4552 -0.4052000 0.7577000 
1 1 1  -48   10   12 o   10.790   0.5348   10.460   0.7956   11.120   0.7148 -0.6643000 1.070000 
1 1 1  -48   10   13 o   39.630   0.3779   39.320   0.5752   39.940   0.4904 -0.6205000 0.7559000 
1 1 1  -48   10   14 o   22.080   0.3559   22.530   0.5244   21.620   0.4812 0.9165000 0.7117000 
1 1 1  -48   10   15 f   8.5890   0.7648   7.2580   1.2990   9.9190   0.8080 -2.661000 1.530000 
1 1 1  -48   10   16 o   19.050   0.5497   18.320   0.9268   19.770   0.5914 -1.453000 1.099000 
1 1 1  -48   10   17 o   37.310   0.3050   37.250   0.4356   37.360   0.4272 -0.1129000 0.6101000 
1 1 1  -48   10   18 o   21.600   0.3211   21.300   0.4563   21.900   0.4519 -0.6011000 0.6422000 
1 1 1  -48   10   19 o   18.360   0.3557   18.790   0.4928   17.940   0.5131 0.8441000 0.7115000 
1 1 1  -48   10   20 f   15.160   0.4491   14.440   0.6084   15.880   0.6607 -1.434000 0.8982000 
1 1 1  -48   10   21 o   12.310   0.5741   12.080   0.7914   12.540   0.8318 -0.4583000 1.148000 
1 1 1  -48   10   22 o   24.630   0.3646   24.880   0.5013   24.370   0.5295 0.5076000 0.7291000 
1 1 1  -48   10   23 o   22.200   0.3458   21.900   0.4880   22.500   0.4901 -0.5951000 0.6916000 
1 1 1  -48   10   24 o   11.610   0.6633   11.420   0.8960   11.800   0.9782 -0.3759000 1.327000 
1 1 1  -48   10   25 o   13.970   0.5509   13.360   0.8059   14.570   0.7512 -1.213000 1.102000 
1 1 1  -48   10   26 o   4.4770   1.1740   5.0260   1.6800   3.9280   1.6420 1.098000 2.349000 
1 1 1  -48   10   27 o   7.4570   1.0470   7.8870   1.3430   7.0270   1.6060 0.8601000 2.094000 
1 1 1  -48   10   28 o   8.5130   0.9445   7.8330   1.3930   9.1940   1.2750 -1.361000 1.889000 
1 1 1  -48   10   29 o   3.1170   1.0480   3.4090   1.5730   2.8250   1.3850 0.5845000 2.097000 
1 1 1  -48   10   30 o   11.210   0.7166   10.890   1.0180   11.520   1.0080 -0.6340000 1.433000 
1 1 1  -48   10   31 o   5.2750   1.1870   7.0630   1.7530   3.4870   1.6010 3.576000 2.374000 
1 1 1  -48   10   32 o   2.9020   0.9691   2.4440   1.2070   3.3600   1.5170 -0.9162000 1.938000 
1 1 1  -48   12    1 o   6.8730   0.8184   5.1250   1.3300   8.6220   0.9541 -3.497000 1.637000 
1 1 1  -48   12    2 o   18.380   0.3864   19.130   0.6138   17.630   0.4695 1.496000 0.7728000 
1 1 1  -48   12    3 o   27.390   0.6802   28.040   0.4951   26.750   1.2670 1.291000 1.360000 
1 1 1  -48   12    4 o   6.3540   1.0160   7.7000   0.7254   5.0090   1.8980 2.691000 2.031000 
1 1 1  -48   12    5 o   19.250   0.2765   18.640   0.3721   19.860   0.4092 -1.222000 0.5531000 
1 1 1  -48   12    6 o   19.830   0.2690   20.400   0.3594   19.250   0.4004 1.149000 0.5381000 
1 1 1  -48   12    7 o   32.890   0.2834   32.570   0.3757   33.210   0.4244 -0.6401000 0.5668000 
1 1 1  -48   12    8 o   17.630   0.3288   17.830   0.3539   17.430   0.5542 0.4081000 0.6576000 
1 1 1  -48   12    9 o   28.940   0.3203   29.120   0.4378   28.770   0.4677 0.3584000 0.6406000 
1 1 1  -48   12   10 o   4.3830   1.0570   4.4520   1.4160   4.3130   1.5700 0.1397000 2.114000 
1 1 1  -48   12   11 o   30.030   0.2724   29.700   0.3725   30.360   0.3976 -0.6584000 0.5448000 
1 1 1  -48   12   12 f   23.970   0.2841   23.780   0.3839   24.160   0.4188 -0.3822000 0.5681000 
1 1 1  -48   12   13 o   24.810   0.2871   24.690   0.3910   24.930   0.4206 -0.2366000 0.5742000 
1 1 1  -48   12   14 f   29.310   0.2938   29.230   0.4130   29.390   0.4180 -0.1589000 0.5876000 
1 1 1  -48   12   15 o   6.2880   1.2430   7.7960   1.7820   4.7800   1.7340 3.016000 2.486000 
1 1 1  -48   12   16 o   25.680   0.3600   25.130   0.5773   26.240   0.4303 -1.108000 0.7200000 
1 1 1  -48   12   17 o   16.020   0.4653   16.070   0.7258   15.980   0.5823 0.8617000E-01 0.9305000 
1 1 1  -48   12   18 o   14.390   0.5445   15.090   0.7817   13.690   0.7582 1.399000 1.089000 
1 1 1  -48   12   19 o   24.510   0.4052   24.050   0.6186   24.960   0.5235 -0.9109000 0.8104000 
1 1 1  -48   12   20 o   18.810   0.4191   18.590   0.6295   19.020   0.5535 -0.4305000 0.8383000 
1 1 1  -48   12   21 o   5.5010   1.0340   7.0630   1.3280   3.9400   1.5850 3.123000 2.068000 
1 1 1  -48   12   22 o   26.900   0.3343   26.710   0.4704   27.090   0.4751 -0.3827000 0.6686000 
1 1 1  -48   12   23 o   6.3700   1.0850   7.2580   1.3550   5.4810   1.6960 1.778000 2.171000 
1 1 1  -48   12   24 f   15.000   0.5636   14.630   0.7633   15.360   0.8294 -0.7239000 1.127000 
1 1 1  -48   12   25 o   13.930   0.5688   14.150   0.7670   13.720   0.8402 0.4259000 1.138000 
1 1 1  -48   12   26 o   4.5590   1.1330   3.0710   1.4230   6.0460   1.7630 -2.975000 2.265000 
1 1 1  -48   12   27 f   15.720   0.5231   15.090   0.7381   16.340   0.7414 -1.244000 1.046000 
1 1 1  -48   12   28 o   6.7450   1.3310   6.7800   1.8620   6.7090   1.9040 0.7039000E-01 2.663000 
1 1 1  -48   12   29 o   4.5420   1.3630   3.5890   1.7060   5.4950   2.1260 -1.906000 2.726000 
1 1 1  -48   12   30 o   3.8260   1.1770   3.2570   1.5220   4.3950   1.7970 -1.138000 2.355000 
1 1 1  -48   12   31 o   2.1060   0.7519   2.0630   1.0430   2.1500   1.0830 -0.8653000E-01 1.504000 
1 1 1  -48   14    1 o   7.7870   0.7556   8.2100   0.9834   7.3640   1.1480 0.8460000 1.511000 
1 1 1  -48   14    2 o   9.8870   0.5631   9.3530   0.8252   10.420   0.7663 -1.068000 1.126000 
1 1 1  -48   14    3 o   7.2210   0.7257   7.2370   1.0250   7.2060   1.0280 0.3080000E-01 1.451000 
1 1 1  -48   14    4 o   18.010   0.3331   18.330   0.4470   17.690   0.4939 0.6405000 0.6662000 
1 1 1  -48   14    5 o   13.640   0.4006   13.620   0.5420   13.660   0.5901 -0.3534000E-01 0.8012000 
1 1 1  -48   14    6 o   8.5850   0.6643   9.7930   0.7339   7.3770   1.1080 2.416000 1.329000 
1 1 1  -48   14    7 o   13.740   0.4117   13.890   0.5454   13.590   0.6169 0.3001000 0.8234000 
1 1 1  -48   14    8 o   24.750   0.2927   24.380   0.3985   25.110   0.4289 -0.7302000 0.5855000 
1 1 1  -48   14    9 o   5.6420   0.8918   3.6010   1.3950   7.6820   1.1120 -4.081000 1.784000 
1 1 1  -48   14   10 o   10.600   0.5299   10.700   0.7034   10.510   0.7928 0.1892000 1.060000 
1 1 1  -48   14   11 f   6.0840   0.9404   5.8180   1.2940   6.3500   1.3650 -0.5321000 1.881000 
1 1 1  -48   14   12 o   10.820   0.5387   11.040   0.6954   10.610   0.8230 0.4323000 1.077000 
1 1 1  -48   14   13 o   9.3830   0.8708   8.0330   1.3570   10.730   1.0920 -2.700000 1.742000 
1 1 1  -48   14   14 o   15.680   0.6234   15.500   0.8261   15.870   0.9339 -0.3720000 1.247000 
1 1 1  -48   14   15 o   14.200   0.5386   13.950   0.7641   14.460   0.7593 -0.5104000 1.077000 
1 1 1  -48   14   16 o   8.2550   0.9407   9.8260   0.9891   6.6850   1.6010 3.141000 1.881000 
1 1 1  -48   14   17 o   23.450   0.3412   23.940   0.4652   22.960   0.4991 0.9833000 0.6823000 
1 1 1  -48   14   18 o   16.710   0.4250   16.280   0.5933   17.140   0.6088 -0.8610000 0.8501000 
1 1 1  -48   14   19 o   14.320   0.5248   15.250   0.6981   13.390   0.7839 1.858000 1.050000 
1 1 1  -48   14   20 o   22.520   0.4413   22.370   0.7065   22.660   0.5290 -0.2940000 0.8826000 
1 1 1  -48   14   21 o   5.1690   1.2680   6.2250   1.9230   4.1130   1.6530 2.112000 2.536000 
1 1 1  -48   14   22 o   10.290   0.8712   10.430   1.3480   10.160   1.1050 0.2684000 1.742000 
1 1 1  -48   14   23 o   12.430   0.8045   12.180   1.2350   12.680   1.0310 -0.4997000 1.609000 
1 1 1  -48   14   24 o   4.6860   1.2190   5.6060   1.8080   3.7650   1.6350 1.841000 2.438000 
1 1 1  -48   14   25 o   11.720   0.6842   11.680   0.9362   11.750   0.9980 -0.6824000E-01 1.368000 
1 1 1  -48   14   26 o   5.8270   1.2170   6.5330   1.6230   5.1200   1.8140 1.414000 2.433000 
1 1 1  -48   14   27 o   9.2710   0.9808   10.270   1.3040   8.2750   1.4660 1.992000 1.962000 
1 1 1  -48   14   28 o   3.4740   1.1800   3.6730   1.7360   3.2750   1.6000 0.3982000 2.361000 
1 1 1  -48   14   29 o   2.2230   0.7905   2.0600   1.0430   2.3860   1.1880 -0.3261000 1.581000 
1 1 1  -48   14   30 o   2.5060   0.8699   2.5950   1.2620   2.4170   1.1970 0.1787000 1.740000 
1 1 1  -48   16    1 o   5.6590   1.1600   6.9860   1.5240   4.3320   1.7500 2.654000 2.321000 
1 1 1  -48   16    2 o   5.8850   1.2220   5.5870   1.6910   6.1840   1.7640 -0.5968000 2.444000 
1 1 1  -48   16    3 o   12.360   0.6032   12.500   0.7321   12.220   0.9589 0.2810000 1.206000 
1 1 1  -48   16    4 f   22.610   0.3558   21.980   0.4843   23.240   0.5213 -1.266000 0.7115000 
1 1 1  -48   16    5 o   19.970   0.3794   20.210   0.5099   19.730   0.5619 0.4762000 0.7587000 
1 1 1  -48   16    6 o   3.0680   0.9862   3.1060   1.3950   3.0310   1.3940 0.7533000E-01 1.972000 
1 1 1  -48   16    7 o   8.5040   0.8425   7.5980   1.2490   9.4100   1.1310 -1.812000 1.685000 
1 1 1  -48   16    8 o   18.250   0.4203   18.370   0.5530   18.140   0.6330 0.2362000 0.8406000 
1 1 1  -48   16    9 o   17.110   0.4294   16.780   0.5792   17.450   0.6342 -0.6680000 0.8589000 
1 1 1  -48   16   10 o   3.8060   1.1710   3.9410   1.6660   3.6700   1.6460 0.2708000 2.342000 
1 1 1  -48   16   11 o   12.600   0.7010   12.840   0.9044   12.370   1.0710 0.4736000 1.402000 
1 1 1  -48   16   12 o   4.7290   1.2320   4.6680   1.7040   4.7890   1.7790 -0.1218000 2.463000 
1 1 1  -48   16   13 o   20.930   0.3528   20.630   0.4761   21.220   0.5207 -0.5901000 0.7056000 
1 1 1  -48   16   14 o   22.660   0.3436   22.510   0.4644   22.810   0.5066 -0.3083000 0.6873000 
1 1 1  -48   16   15 o   16.820   0.4217   17.220   0.5617   16.420   0.6291 0.8055000 0.8433000 
1 1 1  -48   16   16 o   5.9310   1.1010   6.2140   1.4280   5.6480   1.6770 0.5655000 2.202000 
1 1 1  -48   16   17 o   16.360   0.4589   16.280   0.6295   16.440   0.6680 -0.1613000 0.9179000 
1 1 1  -48   16   18 o   17.700   0.4471   17.730   0.6092   17.670   0.6546 0.5904000E-01 0.8942000 
1 1 1  -48   16   19 o   19.680   0.4117   19.700   0.5554   19.660   0.6080 0.3841000E-01 0.8235000 
1 1 1  -48   16   20 o   20.900   0.4002   20.720   0.5596   21.080   0.5724 -0.3638000 0.8005000 
1 1 1  -48   16   21 o   9.4240   0.9120   11.750   0.9047   7.0940   1.5840 4.660000 1.824000 
1 1 1  -48   16   22 o   17.450   0.5301   17.610   0.7104   17.290   0.7870 0.3272000 1.060000 
1 1 1  -48   16   23 f   19.140   0.6134   19.600   1.0280   18.680   0.6699 0.9204000 1.227000 
1 1 1  -48   16   24 o   3.8830   1.1820   3.3220   1.5880   4.4440   1.7520 -1.122000 2.364000 
1 1 1  -48   16   25 o   8.6220   1.2590   8.6470   1.8610   8.5970   1.6960 0.4963000E-01 2.518000 
1 1 1  -48   16   26 o   4.3880   1.3070   3.7870   1.7410   4.9890   1.9490 -1.202000 2.614000 
1 1 1  -48   16   27 f   4.0700   1.2240   3.0720   1.4780   5.0690   1.9510 -1.997000 2.448000 
1 1 1  -48   16   28 o   2.9350   0.9805   2.4100   1.1970   3.4590   1.5530 -1.049000 1.961000 
1 1 1  -48   18    1 f   8.0900   0.8259   8.0780   1.1440   8.1030   1.1910 -0.2535000E-01 1.652000 
1 1 1  -48   18    2 o   8.3540   0.7897   8.3580   1.1050   8.3500   1.1290 0.7832000E-02 1.579000 
1 1 1  -48   18    3 o   8.3820   0.7990   9.4050   0.9689   7.3580   1.2710 2.048000 1.598000 
1 1 1  -48   18    4 o   12.300   0.5557   11.980   0.7839   12.620   0.7877 -0.6322000 1.111000 
1 1 1  -48   18    5 o   16.610   0.4346   16.630   0.5918   16.590   0.6366 0.3373000E-01 0.8691000 
1 1 1  -48   18    6 o   9.0520   0.7687   8.7270   1.0970   9.3780   1.0770 -0.6513000 1.537000 
1 1 1  -48   18    7 o   4.1570   1.1270   3.5820   1.5050   4.7320   1.6780 -1.150000 2.254000 
1 1 1  -48   18    8 o   8.4210   0.8607   9.4640   0.9841   7.3780   1.4120 2.087000 1.721000 
1 1 1  -48   18    9 o   4.1260   1.1140   3.3800   1.4580   4.8720   1.6860 -1.492000 2.229000 
1 1 1  -48   18   10 o   19.410   0.3868   19.600   0.5128   19.220   0.5792 0.3761000 0.7736000 
1 1 1  -48   18   11 o   14.680   0.4858   14.060   0.6754   15.300   0.6985 -1.245000 0.9716000 
1 1 1  -48   18   12 o   15.130   0.4733   15.040   0.6358   15.220   0.7012 -0.1872000 0.9465000 
1 1 1  -48   18   13 o   5.6020   1.1230   4.4650   1.6150   6.7380   1.5610 -2.273000 2.246000 
1 1 1  -48   18   14 f   6.2430   1.1450   6.1130   1.5550   6.3730   1.6810 -0.2608000 2.290000 
1 1 1  -48   18   15 o   6.2080   1.1510   5.9020   1.5720   6.5140   1.6820 -0.6120000 2.302000 
1 1 1  -48   18   16 o   11.380   0.6603   11.120   0.8969   11.640   0.9692 -0.5238000 1.321000 
1 1 1  -48   18   17 o   9.9450   0.7716   10.170   1.0110   9.7190   1.1660 0.4529000 1.543000 
1 1 1  -48   18   18 o   4.8750   1.2750   4.7750   1.8380   4.9750   1.7690 -0.1996000 2.551000 
1 1 1  -48   18   19 o   3.6620   1.1020   4.2730   1.6700   3.0500   1.4400 1.223000 2.205000 
1 1 1  -48   18   20 o   15.030   0.6127   16.080   0.7018   13.980   1.0050 2.104000 1.225000 
1 1 1  -48   18   21 o   17.930   0.5559   18.070   0.7456   17.800   0.8247 0.2636000 1.112000 
1 1 1  -48   18   22 o   7.4160   1.1510   8.6430   1.4060   6.1890   1.8220 2.453000 2.301000 
1 1 1  -48   18   23 o   5.7070   1.3690   5.3140   1.9130   6.0990   1.9600 -0.7851000 2.739000 
1 1 1  -48   18   24 o   4.4670   1.2720   4.3510   1.7230   4.5830   1.8700 -0.2321000 2.543000 
1 1 1  -48   18   25 o   4.2090   1.2090   3.9210   1.6650   4.4970   1.7540 -0.5766000 2.418000 
1 1 1  -48   18   26 o   3.5720   1.1900   3.1660   1.6020   3.9770   1.7600 -0.8105000 2.380000 
1 1 1  -48   18   27 o   2.1030   0.7625   2.1260   1.1020   2.0790   1.0540 0.4753000E-01 1.525000 
1 1 1  -48   20    1 o   3.7540   1.0650   4.5760   1.6270   2.9320   1.3740 1.643000 2.129000 
1 1 1  -48   20    2 o   5.7380   1.1510   5.9600   1.5790   5.5160   1.6750 0.4443000 2.302000 
1 1 1  -48   20    3 o   10.590   0.6769   10.800   0.9266   10.380   0.9871 0.4264000 1.354000 
1 1 1  -48   20    4 o   7.3580   1.0920   6.1440   1.5930   8.5720   1.4950 -2.427000 2.185000 
1 1 1  -48   20    5 o   17.510   0.4498   17.520   0.5989   17.490   0.6714 0.2847000E-01 0.8997000 
1 1 1  -48   20    6 o   9.6650   0.8967   8.5340   1.1940   10.800   1.3380 -2.262000 1.793000 
1 1 1  -48   20    7 o   12.240   0.6170   12.310   0.8431   12.180   0.9010 0.1285000 1.234000 
1 1 1  -48   20    8 o   10.660   0.7061   10.350   0.9789   10.960   1.0180 -0.6062000 1.412000 
1 1 1  -48   20    9 o   4.8360   1.1980   4.4960   1.6380   5.1760   1.7490 -0.6796000 2.396000 
1 1 1  -48   20   10 f   5.9440   1.1610   6.3900   1.5230   5.4970   1.7520 0.8932000 2.321000 
1 1 1  -48   20   11 o   23.410   0.3695   23.400   0.5030   23.410   0.5416 -0.9754000E-02 0.7391000 
1 1 1  -48   20   12 o   11.630   0.6508   11.080   0.9278   12.180   0.9128 -1.104000 1.302000 
1 1 1  -48   20   13 o   11.970   0.6462   12.750   0.8147   11.190   1.0030 1.558000 1.292000 
1 1 1  -48   20   14 o   8.3450   0.9806   9.6330   1.0970   7.0560   1.6260 2.577000 1.961000 
1 1 1  -48   20   15 o   3.0350   1.0040   2.6060   1.2630   3.4630   1.5620 -0.8563000 2.009000 
1 1 1  -48   20   16 o   3.7950   1.1040   4.6310   1.7030   2.9600   1.4040 1.671000 2.207000 
1 1 1  -48   20   17 o   3.7230   1.1130   4.3470   1.6860   3.0980   1.4540 1.248000 2.226000 
1 1 1  -48   20   18 o   6.9870   1.0990   8.8700   1.2780   5.1040   1.7880 3.766000 2.197000 
1 1 1  -48   20   19 o   5.6740   1.4180   4.3470   1.9110   7.0000   2.0970 -2.653000 2.837000 
1 1 1  -48   20   20 o   5.7520   1.3830   4.9020   2.0200   6.6010   1.8900 -1.699000 2.767000 
1 1 1  -48   20   21 o   6.2440   1.2490   7.4310   1.6210   5.0560   1.9010 2.375000 2.498000 
1 1 1  -48   20   22 o   2.9030   0.9796   2.6790   1.3050   3.1260   1.4610 -0.4475000 1.959000 
1 1 1  -48   20   23 o   2.9450   0.9797   3.5260   1.5650   2.3650   1.1790 1.161000 1.959000 
1 1 1  -48   20   24 o   2.8960   0.9757   2.8720   1.3700   2.9190   1.3900 -0.4713000E-01 1.951000 
1 1 1  -48   20   25 o   2.5020   0.8848   2.5760   1.2810   2.4270   1.2210 0.1494000 1.770000 
1 1 1  -48   22    1 o   6.0160   1.2490   6.8990   1.7360   5.1340   1.7970 1.765000 2.499000 
1 1 1  -48   22    2 o   12.610   0.6413   13.580   0.8266   11.640   0.9808 1.943000 1.283000 
1 1 1  -48   22    3 o   10.360   0.7832   11.140   1.0140   9.5810   1.1940 1.558000 1.566000 
1 1 1  -48   22    4 o   5.2190   1.3130   4.8280   1.7530   5.6100   1.9550 -0.7824000 2.626000 
1 1 1  -48   22    5 o   5.2270   1.1670   6.5850   1.6340   3.8680   1.6670 2.718000 2.334000 
1 1 1  -48   22    6 o   10.620   0.7646   10.360   1.0740   10.870   1.0890 -0.5073000 1.529000 
1 1 1  -48   22    7 o   13.200   0.6185   13.190   0.8492   13.220   0.8994 -0.3207000E-01 1.237000 
1 1 1  -48   22    8 o   12.680   0.6392   13.030   0.8590   12.330   0.9469 0.7044000 1.278000 
1 1 1  -48   22    9 o   17.600   0.4672   16.690   0.6783   18.510   0.6427 -1.816000 0.9344000 
1 1 1  -48   22   10 o   4.0080   1.1590   3.4050   1.5230   4.6100   1.7460 -1.205000 2.317000 
1 1 1  -48   22   11 o   5.8740   1.2040   6.7280   1.6170   5.0200   1.7840 1.707000 2.408000 
1 1 1  -48   22   12 o   7.9610   1.0370   9.2780   1.1880   6.6440   1.7000 2.633000 2.074000 
1 1 1  -48   22   13 o   3.0040   1.0010   2.8820   1.3740   3.1270   1.4570 -0.2451000 2.003000 
1 1 1  -48   22   14 o   6.2310   1.3320   6.1740   1.9020   6.2870   1.8660 -0.1129000 2.665000 
1 1 1  -48   22   15 o   11.420   0.8330   11.940   1.1490   10.900   1.2070 1.043000 1.666000 
1 1 1  -48   22   16 o   4.0070   1.2720   5.0070   2.0620   3.0080   1.4920 2.000000 2.545000 
1 1 1  -48   22   17 o   4.1860   1.2730   4.1470   1.7680   4.2240   1.8310 -0.7717000E-01 2.545000 
1 1 1  -48   22   18 o   6.9380   1.2510   6.9330   1.8320   6.9430   1.7030 -0.9438000E-02 2.502000 
1 1 1  -48   22   19 o   3.0380   1.0050   2.3950   1.1910   3.6810   1.6190 -1.286000 2.010000 
1 1 1  -48   22   20 o   3.7230   1.1090   4.6440   1.7610   2.8030   1.3480 1.841000 2.218000 
1 1 1  -48   22   21 o   4.9230   1.2300   4.3650   1.7140   5.4800   1.7650 -1.115000 2.460000 
1 1 1  -48   22   22 o   3.0990   1.0190   2.9010   1.3760   3.2960   1.5020 -0.3945000 2.037000 
1 1 1  -48   22   23 o   2.0760   0.7586   2.1270   1.0940   2.0240   1.0510 0.1024000 1.517000 
1 1 1  -48   24    1 o   4.8690   1.4380   4.3510   1.9230   5.3860   2.1390 -1.035000 2.877000 
1 1 1  -48   24    2 o   4.8050   1.4340   4.7740   2.0140   4.8370   2.0420 -0.6335000E-01 2.868000 
1 1 1  -48   24    3 o   4.6290   1.3550   4.2010   1.7610   5.0570   2.0600 -0.8564000 2.710000 
1 1 1  -48   24    4 o   9.9040   1.0900   11.040   1.1690   8.7630   1.8390 2.282000 2.179000 
1 1 1  -48   24    5 o   10.080   0.9754   11.770   1.1090   8.3910   1.6050 3.379000 1.951000 
1 1 1  -48   24    6 o   6.2040   1.2600   4.7080   1.8460   7.7000   1.7170 -2.992000 2.521000 
1 1 1  -48   24    7 o   3.0740   1.0350   3.4200   1.5770   2.7280   1.3400 0.6920000 2.069000 
1 1 1  -48   24    8 o   4.7660   1.3080   4.7830   1.8460   4.7500   1.8550 0.3259000E-01 2.617000 
1 1 1  -48   24    9 o   7.3740   1.1660   7.0150   1.6290   7.7330   1.6670 -0.7184000 2.331000 
1 1 1  -48   24   10 o   4.6190   1.2850   4.8770   1.7630   4.3600   1.8690 0.5174000 2.570000 
1 1 1  -48   24   11 o   3.5500   1.1670   3.3930   1.5900   3.7070   1.7100 -0.3136000 2.335000 
1 1 1  -48   24   12 o   4.2950   1.2820   4.3990   1.8150   4.1920   1.8100 0.2069000 2.563000 
1 1 1  -48   24   13 o   3.5290   1.1470   3.8280   1.6970   3.2310   1.5430 0.5975000 2.294000 
1 1 1  -48   24   14 o   7.0710   1.3150   6.1870   1.9220   7.9550   1.7960 -1.767000 2.630000 
1 1 1  -48   24   15 o   2.5240   0.8788   2.5350   1.2450   2.5130   1.2410 0.2140000E-01 1.758000 
1 1 1  -48   24   16 o   2.5870   0.8980   2.3410   1.1680   2.8340   1.3640 -0.4927000 1.796000 
1 1 1  -48   24   17 o   2.4870   0.8683   2.5430   1.2490   2.4310   1.2070 0.1125000 1.737000 
1 1 1  -48   24   18 o   2.4800   0.8656   2.5430   1.2490   2.4160   1.1990 0.1269000 1.731000 
1 1 1  -48   24   19 o   3.1530   1.0270   2.7140   1.3100   3.5930   1.5820 -0.8789000 2.054000 
1 1 1  -48   24   20 o   2.3410   0.8541   2.4730   1.2690   2.2100   1.1430 0.2632000 1.708000 
1 1 1  -48   26    1 o   3.5350   1.1220   3.7490   1.6300   3.3210   1.5420 0.4283000 2.244000 
1 1 1  -48   26    2 o   3.3810   1.0910   3.5890   1.5860   3.1740   1.4980 0.4151000 2.182000 
1 1 1  -48   26    3 o   3.6300   1.1360   3.6790   1.6010   3.5810   1.6120 0.9774000E-01 2.273000 
1 1 1  -48   26    4 o   6.0570   1.1200   8.1110   1.4250   4.0040   1.7270 4.108000 2.239000 
1 1 1  -48   26    5 o   9.3890   0.9331   9.6090   1.1900   9.1700   1.4380 0.4383000 1.866000 
1 1 1  -48   26    6 o   4.5050   1.1610   5.7740   1.7560   3.2370   1.5190 2.537000 2.321000 
1 1 1  -48   26    7 o   6.8820   1.2170   6.0880   1.7450   7.6760   1.6970 -1.588000 2.435000 
1 1 1  -48   26    8 o   4.5400   1.2410   3.8640   1.6470   5.2170   1.8580 -1.354000 2.483000 
1 1 1  -48   26    9 o   8.9080   0.9390   8.6040   1.3310   9.2130   1.3250 -0.6090000 1.878000 
1 1 1  -48   26   10 o   2.9070   0.9793   2.8930   1.3770   2.9210   1.3930 -0.2795000E-01 1.959000 
1 1 1  -48   26   11 o   3.6660   1.1260   3.2340   1.4880   4.0970   1.6900 -0.8624000 2.252000 
1 1 1  -48   26   12 o   3.4000   1.0740   3.8390   1.6280   2.9620   1.4020 0.8775000 2.149000 
1 1 1  -48   26   13 o   6.0840   1.1450   4.5780   1.7250   7.5900   1.5050 -3.012000 2.290000 
1 1 1  -48   26   14 o   2.6750   0.9228   2.6270   1.2820   2.7230   1.3280 -0.9598000E-01 1.846000 
1 1 1  -48   26   15 o   2.1760   0.7811   1.9900   1.0230   2.3620   1.1800 -0.3720000 1.562000 
1 1 1  -48   26   16 f   2.1070   1.0890  ?   ?    2.1070   1.0890      ?      ? 
1 1 1  -48   28    1 o   3.5350   1.1460   3.8750   1.6990   3.1960   1.5390 0.6788000 2.292000 
1 1 1  -48   28    2 o   3.3570   1.1110   3.4530   1.5840   3.2600   1.5590 0.1925000 2.222000 
1 1 1  -48   28    3 o   3.1620   1.0680   2.9540   1.4210   3.3690   1.5940 -0.4146000 2.135000 
1 1 1  -48   28    4 o   2.6630   0.9376   2.3670   1.1880   2.9580   1.4510 -0.5902000 1.875000 
1 1 1  -48   28    5 o   2.5040   0.8878   2.3840   1.1940   2.6230   1.3140 -0.2394000 1.776000 
1 1 1  -48   28    6 o   3.4220   1.1120   3.4240   1.5680   3.4200   1.5760 0.3881000E-02 2.224000 
1 1 1  -48   28    7 o   2.8140   0.9631   3.2270   1.5040   2.4010   1.2040 0.8252000 1.926000 
1 1 1  -48   28    8 f   2.1220   0.7624   2.0430   1.0400   2.2020   1.1150 -0.1591000 1.525000 
1 1 1  -47    1    1 o   29.700   0.2890   29.630   0.4091   29.770   0.4082 -0.1313000 0.5779000 
1 1 1  -47    1    2 o   19.290   0.3395   18.690   0.4955   19.880   0.4641 -1.191000 0.6789000 
1 1 1  -47    1    3 o   23.770   0.4286   21.750   0.6324   25.790   0.5786 -4.040000 0.8571000 
1 1 1  -47    1    4 o   38.380   0.3441   38.500   0.4827   38.270   0.4906 0.2391000 0.6883000 
1 1 1  -47    1    5 o   31.340   0.3692   31.060   0.5713   31.620   0.4678 -0.5506000 0.7384000 
1 1 1  -47    1    6 o   24.090   0.3457   24.470   0.4851   23.710   0.4928 0.7594000 0.6915000 
1 1 1  -47    1    7 o   27.860   0.3186   27.210   0.4572   28.510   0.4438 -1.297000 0.6372000 
1 1 1  -47    1    8 o   20.070   0.3073   20.310   0.4783   19.820   0.3860 0.4905000 0.6147000 
1 1 1  -47    1    9 o   45.370   0.3126   45.500   0.4442   45.240   0.4398 0.2636000 0.6251000 
1 1 1  -47    1   10 o   16.960   0.2994   17.090   0.4290   16.830   0.4178 0.2628000 0.5989000 
1 1 1  -47    1   11 o   12.730   0.3802   12.930   0.5362   12.530   0.5391 0.4000000 0.7604000 
1 1 1  -47    1   12 o   20.030   0.3109   19.950   0.4412   20.110   0.4382 -0.1584000 0.6218000 
1 1 1  -47    1   13 o   29.280   0.2975   29.530   0.4219   29.030   0.4195 0.5020000 0.5950000 
1 1 1  -47    1   14 o   37.610   0.3283   37.480   0.4663   37.730   0.4623 -0.2531000 0.6566000 
1 1 1  -47    1   15 o   3.7440   0.9541   4.5060   1.4210   2.9830   1.2740 1.523000 1.908000 
1 1 1  -47    1   16 f   3.3630   0.9389   2.8510   1.2620   3.8750   1.3910 -1.024000 1.878000 
1 1 1  -47    1   17 o   19.350   0.2973   19.340   0.4213   19.350   0.4195 -0.9626000E-02 0.5945000 
1 1 1  -47    1   18 o   16.400   0.3364   16.340   0.4758   16.460   0.4757 -0.1169000 0.6728000 
1 1 1  -47    1   19 o   20.810   0.2952   20.690   0.4170   20.940   0.4179 -0.2537000 0.5904000 
1 1 1  -47    1   20 o   7.6100   0.7137   6.7160   1.1150   8.5040   0.8906 -1.788000 1.427000 
1 1 1  -47    1   21 o   8.2330   0.6551   8.0370   0.9405   8.4300   0.9122 -0.3936000 1.310000 
1 1 1  -47    1   22 o   9.3580   0.6907   8.9640   1.0640   9.7520   0.8808 -0.7884000 1.381000 
1 1 1  -47    1   23 o   18.120   0.4735   18.610   0.6554   17.640   0.6835 0.9773000 0.9470000 
1 1 1  -47    1   24 o   3.8950   1.0240   4.6690   1.5260   3.1210   1.3670 1.548000 2.049000 
1 1 1  -47    1   25 o   15.990   0.4073   15.800   0.5780   16.180   0.5740 -0.3752000 0.8146000 
1 1 1  -47    1   26 o   8.1070   0.8096   7.5520   1.2120   8.6620   1.0730 -1.110000 1.619000 
1 1 1  -47    1   27 o   22.700   0.4085   23.050   0.5686   22.340   0.5868 0.7067000 0.8171000 
1 1 1  -47    1   28 o   8.4750   1.2820   7.8010   1.9320   9.1500   1.6860 -1.350000 2.564000 
1 1 1  -47    1   29 o   5.3500   1.1610   6.2180   1.6190   4.4820   1.6640 1.736000 2.321000 
1 1 1  -47    1   30 o   9.0970   0.8728   8.9960   1.2510   9.1980   1.2180 -0.2015000 1.746000 
1 1 1  -47    1   31 f   15.400   0.5451   15.080   0.7896   15.720   0.7518 -0.6397000 1.090000 
1 1 1  -47    1   32 o   14.030   0.5904   13.890   0.8587   14.180   0.8106 -0.2903000 1.181000 
1 1 1  -47    1   33 o   3.5940   1.1100   3.1230   1.4520   4.0650   1.6790 -0.9416000 2.220000 
1 1 1  -47    1   34 o   2.7120   0.9268   2.8570   1.3630   2.5670   1.2570 0.2901000 1.854000 
1 1 1  -47    3    1 o   13.300   0.6326   13.350   1.0370   13.250   0.7254 0.9422000E-01 1.265000 
1 1 1  -47    3    2 o   20.770   0.3788   21.430   0.5600   20.110   0.5101 1.314000 0.7575000 
1 1 1  -47    3    3 o   23.540   0.3333   23.750   0.4063   23.340   0.5285 0.4029000 0.6666000 
1 1 1  -47    3    4 o   41.930   0.6552   43.610   0.9203   40.250   0.9328 3.353000 1.310000 
1 1 1  -47    3    5 o   22.570   0.6916   21.270   0.9666   23.870   0.9893 -2.604000 1.383000 
1 1 1  -47    3    6 o   14.090   0.9732   14.660   1.2920   13.520   1.4560 1.145000 1.946000 
1 1 1  -47    3    7 o   30.320   0.5892   31.390   0.8223   29.250   0.8440 2.143000 1.178000 
1 1 1  -47    3    8 o   18.130   0.3469   17.300   0.5914   18.970   0.3626 -1.671000 0.6937000 
1 1 1  -47    3    9 o   19.360   0.2885   19.570   0.4272   19.150   0.3879 0.4254000 0.5770000 
1 1 1  -47    3   10 o   17.040   0.4389   16.760   0.6042   17.310   0.6366 -0.5524000 0.8777000 
1 1 1  -47    3   11 o   31.320   0.2663   31.320   0.3839   31.310   0.3691 0.1227000E-01 0.5325000 
1 1 1  -47    3   12 f   17.830   0.3131   17.560   0.4699   18.100   0.4140 -0.5329000 0.6263000 
1 1 1  -47    3   13 o   45.620   0.3201   45.620   0.4557   45.630   0.4495 -0.4322000E-02 0.6401000 
1 1 1  -47    3   14 o   17.410   0.3238   17.310   0.4694   17.500   0.4460 -0.1934000 0.6476000 
1 1 1  -47    3   15 o   20.830   0.3457   20.660   0.5058   21.000   0.4713 -0.3405000 0.6913000 
1 1 1  -47    3   16 o   18.700   0.3660   19.460   0.5144   17.930   0.5208 1.529000 0.7320000 
1 1 1  -47    3   17 o   19.780   0.3003   20.280   0.4236   19.280   0.4257 0.9982000 0.6006000 
1 1 1  -47    3   18 o   15.980   0.3438   16.120   0.4879   15.840   0.4846 0.2814000 0.6877000 
1 1 1  -47    3   19 o   35.010   0.2849   34.820   0.4041   35.200   0.4018 -0.3834000 0.5698000 
1 1 1  -47    3   20 o   16.100   0.3534   16.400   0.4914   15.800   0.5080 0.5943000 0.7068000 
1 1 1  -47    3   21 o   3.6430   1.0570   3.6420   1.5140   3.6450   1.4760 -0.3394000E-02 2.114000 
1 1 1  -47    3   22 o   19.160   0.3550   19.520   0.4694   18.810   0.5327 0.7136000 0.7100000 
1 1 1  -47    3   23 o   9.1660   0.6451   9.3940   0.8800   8.9390   0.9434 0.4554000 1.290000 
1 1 1  -47    3   24 o   5.9290   1.0380   4.5070   1.5800   7.3500   1.3470 -2.842000 2.076000 
1 1 1  -47    3   25 o   12.700   0.4989   12.340   0.7164   13.060   0.6946 -0.7141000 0.9979000 
1 1 1  -47    3   26 o   10.610   0.7502   11.650   0.9063   9.5750   1.1960 2.074000 1.500000 
1 1 1  -47    3   27 o   6.8350   1.1650   7.1630   1.5360   6.5070   1.7510 0.6553000 2.329000 
1 1 1  -47    3   28 o   14.910   0.5958   14.870   0.8549   14.940   0.8301 -0.7286000E-01 1.192000 
1 1 1  -47    3   29 o   14.230   0.6471   13.770   0.9280   14.690   0.9022 -0.9209000 1.294000 
1 1 1  -47    3   30 o   11.820   0.6779   11.440   0.9520   12.200   0.9654 -0.7615000 1.356000 
1 1 1  -47    3   31 f   3.8480   1.1630   3.7850   1.6240   3.9120   1.6650 -0.1266000 2.326000 
1 1 1  -47    3   32 o   14.790   0.5753   13.880   0.8444   15.690   0.7815 -1.810000 1.151000 
1 1 1  -47    3   33 o   2.7250   0.9313   2.8120   1.3430   2.6390   1.2910 0.1730000 1.863000 
1 1 1  -47    3   34 o   3.9240   1.1820   4.1460   1.7330   3.7010   1.6090 0.4448000 2.364000 
1 1 1  -47    5    1 o   12.510   0.4108   13.060   0.6165   11.950   0.5431 1.111000 0.8216000 
1 1 1  -47    5    2 o   13.290   1.3540  ?   ?    13.290   1.3540      ?      ? 
1 1 1  -47    5    3 o   11.590   1.5120  ?   ?    11.590   1.5120      ?      ? 
1 1 1  -47    5    4 o   36.310   0.6932  ?   ?    36.310   0.6932      ?      ? 
1 1 1  -47    5    5 o   36.350   0.6877  ?   ?    36.350   0.6877      ?      ? 
1 1 1  -47    5    6 o   15.980   0.9546  ?   ?    15.980   0.9546      ?      ? 
1 1 1  -47    5    7 o   25.920   0.6658  ?   ?    25.920   0.6658      ?      ? 
1 1 1  -47    5    8 o   17.980   0.5807   18.530   0.7970   17.440   0.8448 1.095000 1.161000 
1 1 1  -47    5    9 o   18.080   0.5634   17.510   0.8375   18.640   0.7537 -1.122000 1.127000 
1 1 1  -47    5   10 o   18.490   0.2967   18.530   0.4598   18.450   0.3750 0.8174000E-01 0.5933000 
1 1 1  -47    5   11 o   13.760   0.4486   13.590   0.6293   13.930   0.6394 -0.3439000 0.8972000 
1 1 1  -47    5   12 o   28.070   0.2898   28.870   0.4485   27.260   0.3672 1.602000 0.5797000 
1 1 1  -47    5   13 o   10.800   0.4730   10.840   0.6897   10.760   0.6476 0.7388000E-01 0.9461000 
1 1 1  -47    5   14 o   18.420   0.3106   18.150   0.4516   18.700   0.4264 -0.5448000 0.6211000 
1 1 1  -47    5   15 o   19.220   0.3072   19.000   0.4377   19.430   0.4311 -0.4211000 0.6144000 
1 1 1  -47    5   16 o   12.330   0.5445   11.960   0.7963   12.700   0.7428 -0.7358000 1.089000 
1 1 1  -47    5   17 o   14.410   0.3764   14.260   0.5255   14.560   0.5390 -0.3018000 0.7528000 
1 1 1  -47    5   18 o   33.060   0.2811   32.790   0.3994   33.320   0.3958 -0.5282000 0.5623000 
1 1 1  -47    5   19 o   3.7210   1.0480   4.3060   1.5780   3.1350   1.3810 1.171000 2.097000 
1 1 1  -47    5   20 o   20.500   0.3605   20.540   0.5242   20.460   0.4950 0.7685000E-01 0.7210000 
1 1 1  -47    5   21 o   20.100   0.3186   20.210   0.4490   19.980   0.4521 0.2296000 0.6372000 
1 1 1  -47    5   22 o   7.8000   0.7990   7.6950   1.0450   7.9060   1.2090 -0.2105000 1.598000 
1 1 1  -47    5   23 o   16.090   0.3932   16.260   0.5480   15.920   0.5642 0.3459000 0.7865000 
1 1 1  -47    5   24 o   13.720   0.5092   13.470   0.6984   13.970   0.7412 -0.4982000 1.018000 
1 1 1  -47    5   25 f   7.2560   1.0260   6.4730   1.5430   8.0380   1.3530 -1.565000 2.052000 
1 1 1  -47    5   26 o   10.840   0.7078   10.120   1.0320   11.550   0.9695 -1.423000 1.416000 
1 1 1  -47    5   27 o   9.6790   0.7265   9.9800   0.9536   9.3780   1.0960 0.6018000 1.453000 
1 1 1  -47    5   28 o   13.160   0.5665   13.280   0.7714   13.040   0.8298 0.2366000 1.133000 
1 1 1  -47    5   29 o   5.0210   1.2640   6.1460   1.8660   3.8960   1.7060 2.249000 2.528000 
1 1 1  -47    5   30 o   6.0100   1.1950   4.8980   1.7240   7.1220   1.6570 -2.224000 2.391000 
1 1 1  -47    5   31 o   11.950   0.6826   11.340   0.9546   12.560   0.9760 -1.215000 1.365000 
1 1 1  -47    5   32 o   5.4990   1.2440   4.9210   1.7440   6.0770   1.7740 -1.157000 2.488000 
1 1 1  -47    5   33 o   4.4670   1.2200   4.3530   1.7000   4.5820   1.7500 -0.2287000 2.440000 
1 1 1  -47    7    1 o   32.570   0.2814   32.770   0.3909   32.360   0.4049 0.4111000 0.5628000 
1 1 1  -47    7    2 o   13.630   0.9055   13.120   1.2210   14.140   1.3380 -1.012000 1.811000 
1 1 1  -47    7    3 o   25.020   0.5471   25.740   0.6964   24.290   0.8440 1.454000 1.094000 
1 1 1  -47    7    4 f   21.430   0.6042   20.470   0.8033   22.400   0.9026 -1.936000 1.208000 
1 1 1  -47    7    5 o   25.180   0.6411   25.140   0.7022   25.210   1.0730 -0.6290000E-01 1.282000 
1 1 1  -47    7    6 o   10.860   0.9986   10.680   1.4260   11.030   1.3990 -0.3523000 1.997000 
1 1 1  -47    7    7 o   19.300   0.7019   18.960   1.1410   19.630   0.8173 -0.6771000 1.404000 
1 1 1  -47    7    8 o   22.530   0.7304  ?   ?    22.530   0.7304      ?      ? 
1 1 1  -47    7    9 o   9.4550   1.5460  ?   ?    9.4550   1.5460      ?      ? 
1 1 1  -47    7   10 o   13.810   1.0250  ?   ?    13.810   1.0250      ?      ? 
1 1 1  -47    7   11 o   19.080   0.3886  ?   ?    19.080   0.3886      ?      ? 
1 1 1  -47    7   12 f   24.390   0.3724   24.520   0.5906   24.260   0.4540 0.2652000 0.7449000 
1 1 1  -47    7   13 o   17.960   0.3391   17.700   0.5254   18.210   0.4290 -0.5089000 0.6783000 
1 1 1  -47    7   14 o   22.580   0.2854   22.240   0.4105   22.910   0.3966 -0.6692000 0.5708000 
1 1 1  -47    7   15 o   11.290   0.4735   10.840   0.7006   11.740   0.6372 -0.9017000 0.9470000 
1 1 1  -47    7   16 o   9.9970   0.7274   8.8610   1.1560   11.130   0.8826 -2.272000 1.455000 
1 1 1  -47    7   17 o   11.030   0.5728   10.810   0.8289   11.240   0.7906 -0.4264000 1.146000 
1 1 1  -47    7   18 o   12.640   0.5209   13.040   0.7119   12.250   0.7605 0.7950000 1.042000 
1 1 1  -47    7   19 o   5.5260   0.9814   5.1180   1.4240   5.9340   1.3500 -0.8160000 1.963000 
1 1 1  -47    7   20 o   25.960   0.2932   25.810   0.4144   26.100   0.4150 -0.2900000 0.5865000 
1 1 1  -47    7   21 o   12.960   0.4536   12.790   0.6330   13.130   0.6498 -0.3360000 0.9072000 
1 1 1  -47    7   22 o   5.2520   1.0200   4.3350   1.5050   6.1680   1.3780 -1.833000 2.041000 
1 1 1  -47    7   23 o   13.820   0.4585   13.420   0.6570   14.220   0.6398 -0.7960000 0.9171000 
1 1 1  -47    7   24 o   13.380   0.6176   13.280   0.8188   13.470   0.9249 -0.1862000 1.235000 
1 1 1  -47    7   25 o   4.7860   1.1620   5.0110   1.6500   4.5620   1.6370 0.4494000 2.324000 
1 1 1  -47    7   26 o   10.930   0.6487   11.630   0.8411   10.230   0.9878 1.405000 1.297000 
1 1 1  -47    7   27 o   5.5230   1.1410   6.5100   1.5480   4.5360   1.6750 1.973000 2.281000 
1 1 1  -47    7   28 o   6.3670   1.1300   7.2890   1.4280   5.4450   1.7520 1.844000 2.260000 
1 1 1  -47    7   29 o   3.8080   1.1980   3.5620   1.6180   4.0540   1.7670 -0.4927000 2.396000 
1 1 1  -47    7   30 o   10.640   0.7599   10.030   1.0980   11.250   1.0510 -1.225000 1.520000 
1 1 1  -47    7   31 o   4.3340   1.2080   4.3990   1.7020   4.2680   1.7150 0.1310000 2.416000 
1 1 1  -47    7   32 o   4.1640   1.1610   3.2950   1.4910   5.0330   1.7810 -1.738000 2.323000 
1 1 1  -47    7   33 o   2.4810   0.8734   2.4500   1.2210   2.5120   1.2500 -0.6206000E-01 1.747000 
1 1 1  -47    9    1 o   18.790   0.4179   18.550   0.6030   19.020   0.5786 -0.4634000 0.8357000 
1 1 1  -47    9    2 o   36.560   0.3906   36.060   0.6624   37.060   0.4142 -1.000000 0.7812000 
1 1 1  -47    9    3 o   35.440   0.4905   35.580   0.6625   35.300   0.7234 0.2775000 0.9809000 
1 1 1  -47    9    4 o   28.860   0.5067   28.430   0.6769   29.280   0.7543 -0.8453000 1.013000 
1 1 1  -47    9    5 o   26.570   0.4943   26.350   0.6937   26.800   0.7044 -0.4525000 0.9886000 
1 1 1  -47    9    6 o   24.050   0.5132   24.090   0.7226   24.020   0.7290 0.6223000E-01 1.026000 
1 1 1  -47    9    7 o   13.560   0.8078   14.970   1.0070   12.150   1.2630 2.825000 1.616000 
1 1 1  -47    9    8 o   5.9200   1.4290   6.4090   2.0280   5.4320   2.0140 0.9773000 2.858000 
1 1 1  -47    9    9 o   35.830   0.4507   35.920   0.6402   35.750   0.6345 0.1730000 0.9013000 
1 1 1  -47    9   10 o   8.9950   0.7753   10.370   1.3740   7.6230   0.7185 2.745000 1.551000 
1 1 1  -47    9   11 o   38.250   0.3422   38.200   0.4844   38.300   0.4835 -0.1029000 0.6844000 
1 1 1  -47    9   12 o   11.000   0.4826   11.410   0.6917   10.580   0.6730 0.8271000 0.9651000 
1 1 1  -47    9   13 o   18.470   0.3512   18.480   0.5480   18.450   0.4395 0.2926000E-01 0.7024000 
1 1 1  -47    9   14 o   28.590   0.3419   29.140   0.5199   28.030   0.4442 1.117000 0.6838000 
1 1 1  -47    9   15 o   9.3570   0.6975   8.7340   1.0760   9.9790   0.8873 -1.246000 1.395000 
1 1 1  -47    9   16 o   17.250   0.8366   15.960   1.4950   18.530   0.7509 -2.571000 1.673000 
1 1 1  -47    9   17 o   3.1860   0.9841   3.0890   1.3970   3.2820   1.3870 -0.1932000 1.968000 
1 1 1  -47    9   18 o   18.500   0.3403   18.260   0.4814   18.740   0.4812 -0.4772000 0.6807000 
1 1 1  -47    9   19 o   7.1900   0.8217   6.5720   1.2320   7.8090   1.0880 -1.237000 1.643000 
1 1 1  -47    9   20 o   25.410   0.3022   25.600   0.4296   25.230   0.4252 0.3727000 0.6044000 
1 1 1  -47    9   21 o   15.070   0.4133   15.260   0.5664   14.880   0.6019 0.3791000 0.8265000 
1 1 1  -47    9   22 o   16.450   0.4497   16.560   0.5980   16.340   0.6718 0.2249000 0.8994000 
1 1 1  -47    9   23 o   9.2350   0.7704   8.3680   1.1490   10.100   1.0270 -1.733000 1.541000 
1 1 1  -47    9   24 o   5.5630   1.1060   4.3700   1.5970   6.7570   1.5320 -2.387000 2.213000 
1 1 1  -47    9   25 o   3.5180   1.0670   3.5570   1.5070   3.4800   1.5120 0.7695000E-01 2.135000 
1 1 1  -47    9   26 o   11.770   0.6182   12.100   0.8279   11.450   0.9181 0.6540000 1.236000 
1 1 1  -47    9   27 o   6.7870   1.0950   6.6850   1.5090   6.8890   1.5870 -0.2044000 2.190000 
1 1 1  -47    9   28 o   5.5660   1.2090   6.0840   1.6200   5.0470   1.7950 1.036000 2.418000 
1 1 1  -47    9   29 o   9.2650   1.0900   7.9230   1.7290   10.610   1.3270 -2.685000 2.180000 
1 1 1  -47    9   30 o   4.2860   1.1540   5.2170   1.7330   3.3540   1.5260 1.862000 2.309000 
1 1 1  -47    9   31 o   5.5690   1.2390   4.4670   1.8040   6.6720   1.6990 -2.204000 2.478000 
1 1 1  -47    9   32 o   2.7970   0.9658   2.9320   1.4180   2.6620   1.3120 0.2704000 1.932000 
1 1 1  -47   11    1 o   18.550   0.3456   18.700   0.4755   18.400   0.5018 0.3047000 0.6913000 
1 1 1  -47   11    2 o   8.6490   0.9476   8.0050   1.5040   9.2920   1.1530 -1.287000 1.895000 
1 1 1  -47   11    3 o   9.1750   1.5270   9.9820   1.0280   8.3680   2.8750 1.614000 3.053000 
1 1 1  -47   11    4 o   29.980   0.5500   29.550   1.0010   30.420   0.4549 -0.8752000 1.100000 
1 1 1  -47   11    5 o   14.190   1.0610   13.070   1.8210   15.300   1.0910 -2.227000 2.123000 
1 1 1  -47   11    6 o   17.590   0.8133   18.200   1.3050   16.980   0.9715 1.219000 1.627000 
1 1 1  -47   11    7 o   3.8900   1.3150   3.8100   1.8410   3.9700   1.8770 -0.1608000 2.629000 
1 1 1  -47   11    8 f   6.2690   1.2790   5.9590   2.3860   6.5790   0.9206 -0.6202000 2.557000 
1 1 1  -47   11    9 o   4.9180   0.9583   4.9680   1.0730   4.8670   1.5880 0.1005000 1.917000 
1 1 1  -47   11   10 o   15.160   0.4384   15.520   0.5281   14.800   0.7000 0.7254000 0.8768000 
1 1 1  -47   11   11 o   14.710   0.4133   14.040   0.6035   15.380   0.5649 -1.340000 0.8266000 
1 1 1  -47   11   12 o   14.140   0.3972   14.010   0.5010   14.270   0.6166 -0.2645000 0.7944000 
1 1 1  -47   11   13 o   15.890   0.3633   15.760   0.5028   16.030   0.5247 -0.2755000 0.7267000 
1 1 1  -47   11   14 o   35.250   0.2951   35.110   0.4167   35.390   0.4180 -0.2877000 0.5902000 
1 1 1  -47   11   15 o   28.270   0.3702   28.500   0.5344   28.030   0.5124 0.4717000 0.7404000 
1 1 1  -47   11   16 o   3.5070   1.0970   3.8130   1.6360   3.2020   1.4640 0.6109000 2.195000 
1 1 1  -47   11   17 o   9.6770   0.6869   10.240   0.9911   9.1160   0.9513 1.122000 1.374000 
1 1 1  -47   11   18 o   15.810   0.4609   16.110   0.7106   15.520   0.5872 0.5945000 0.9218000 
1 1 1  -47   11   19 o   15.910   0.4724   15.340   0.7515   16.480   0.5724 -1.133000 0.9447000 
1 1 1  -47   11   20 o   11.800   0.6626   11.290   1.0240   12.310   0.8410 -1.024000 1.325000 
1 1 1  -47   11   21 o   6.3740   1.0820   4.4120   1.7510   8.3350   1.2700 -3.924000 2.163000 
1 1 1  -47   11   22 o   18.030   0.4041   18.620   0.5554   17.450   0.5872 1.168000 0.8083000 
1 1 1  -47   11   23 o   3.5440   1.0390   4.3090   1.6100   2.7800   1.3140 1.529000 2.078000 
1 1 1  -47   11   24 f   6.2920   1.1700   7.0210   1.4880   5.5620   1.8060 1.459000 2.340000 
1 1 1  -47   11   25 o   5.0830   1.1980   4.7100   1.6360   5.4560   1.7490 -0.7466000 2.395000 
1 1 1  -47   11   26 o   16.420   0.4802   16.770   0.6401   16.070   0.7160 0.6999000 0.9604000 
1 1 1  -47   11   27 o   15.560   0.5136   15.730   0.6983   15.380   0.7533 0.3536000 1.027000 
1 1 1  -47   11   28 o   5.4670   1.3540   5.8200   1.9110   5.1140   1.9200 0.7059000 2.708000 
1 1 1  -47   11   29 o   3.3260   1.1020   3.0460   1.4620   3.6060   1.6500 -0.5600000 2.204000 
1 1 1  -47   11   30 o   11.380   1.0660   9.4330   1.8670   13.320   1.0300 -3.888000 2.132000 
1 1 1  -47   11   31 o   9.8510   0.8960   8.9030   1.2770   10.800   1.2570 -1.897000 1.792000 
1 1 1  -47   11   32 o   4.1840   1.2480   3.3790   1.5240   4.9890   1.9770 -1.611000 2.496000 
1 1 1  -47   13    1 o   17.190   0.3527   16.700   0.4985   17.690   0.4992 -0.9863000 0.7055000 
1 1 1  -47   13    2 o   17.180   0.3416   17.490   0.4700   16.870   0.4958 0.6129000 0.6832000 
1 1 1  -47   13    3 o   18.480   0.3796   19.280   0.6000   17.680   0.4651 1.605000 0.7591000 
1 1 1  -47   13    4 o   21.010   0.2958   20.620   0.4033   21.400   0.4329 -0.7796000 0.5917000 
1 1 1  -47   13    5 o   8.3620   0.7602   8.1690   1.2590   8.5550   0.8519 -0.3862000 1.520000 
1 1 1  -47   13    6 o   8.5110   0.9561   10.390   0.9473   6.6290   1.6610 3.765000 1.912000 
1 1 1  -47   13    7 o   23.490   0.3212   24.050   0.4874   22.940   0.4186 1.109000 0.6424000 
1 1 1  -47   13    8 o   22.980   0.3240   22.760   0.4887   23.200   0.4254 -0.4402000 0.6479000 
1 1 1  -47   13    9 o   31.180   0.2812   31.140   0.3871   31.230   0.4080 -0.9167000E-01 0.5624000 
1 1 1  -47   13   10 o   28.490   0.2817   28.320   0.3854   28.660   0.4110 -0.3385000 0.5635000 
1 1 1  -47   13   11 o   28.530   0.2838   28.610   0.3896   28.460   0.4127 0.1487000 0.5676000 
1 1 1  -47   13   12 o   8.0810   0.7142   8.1970   0.9248   7.9650   1.0890 0.2328000 1.428000 
1 1 1  -47   13   13 f   25.530   0.2984   25.870   0.4030   25.190   0.4402 0.6736000 0.5968000 
1 1 1  -47   13   14 o   33.480   0.4075   33.270   0.6368   33.680   0.5086 -0.4100000 0.8150000 
1 1 1  -47   13   15 o   20.560   0.4046   20.240   0.6391   20.880   0.4963 -0.6399000 0.8091000 
1 1 1  -47   13   16 o   31.420   0.3427   31.030   0.4769   31.810   0.4922 -0.7831000 0.6853000 
1 1 1  -47   13   17 o   3.0500   0.9863   2.6480   1.2610   3.4510   1.5170 -0.8030000 1.973000 
1 1 1  -47   13   18 o   10.690   0.6910   11.210   0.8739   10.170   1.0710 1.040000 1.382000 
1 1 1  -47   13   19 o   6.3560   0.9994   4.6110   1.5650   8.1010   1.2430 -3.489000 1.999000 
1 1 1  -47   13   20 o   15.110   0.4706   15.350   0.6322   14.880   0.6973 0.4766000 0.9412000 
1 1 1  -47   13   21 o   8.9460   0.9138   8.3250   1.5010   9.5680   1.0420 -1.243000 1.828000 
1 1 1  -47   13   22 o   3.7760   1.1350   3.4460   1.5790   4.1060   1.6320 -0.6603000 2.271000 
1 1 1  -47   13   23 o   7.5550   1.3070   7.3910   2.0640   7.7180   1.6040 -0.3268000 2.614000 
1 1 1  -47   13   24 o   26.120   0.4985   25.840   0.8494   26.400   0.5219 -0.5586000 0.9970000 
1 1 1  -47   13   25 o   10.120   0.7800   9.2720   1.1380   10.970   1.0670 -1.701000 1.560000 
1 1 1  -47   13   26 o   4.6000   1.1510   5.8070   1.7150   3.3920   1.5360 2.415000 2.302000 
1 1 1  -47   13   27 o   9.2600   0.8943   8.1680   1.3780   10.350   1.1400 -2.184000 1.789000 
1 1 1  -47   13   28 o   11.450   1.0920   10.130   1.8740   12.780   1.1230 -2.651000 2.184000 
1 1 1  -47   13   29 f   7.3790   1.1910   5.1680   1.9020   9.5910   1.4340 -4.424000 2.383000 
1 1 1  -47   13   30 o   7.5440   1.0830   6.4040   1.6880   8.6840   1.3570 -2.280000 2.166000 
1 1 1  -47   13   31 o   3.3980   1.1170   3.3950   1.5210   3.4010   1.6370 -0.5593000E-02 2.235000 
1 1 1  -47   15    1 o   17.000   0.4479   17.070   0.5928   16.920   0.6716 0.1452000 0.8958000 
1 1 1  -47   15    2 o   7.8750   0.8257   9.6130   0.8523   6.1360   1.4140 3.477000 1.651000 
1 1 1  -47   15    3 o   20.600   0.3224   20.780   0.4476   20.420   0.4642 0.3536000 0.6448000 
1 1 1  -47   15    4 o   16.350   0.3775   15.170   0.5345   17.520   0.5331 -2.347000 0.7549000 
1 1 1  -47   15    5 o   8.8030   0.6750   9.0230   0.8844   8.5840   1.0200 0.4392000 1.350000 
1 1 1  -47   15    6 o   14.280   0.4314   13.630   0.6165   14.940   0.6036 -1.316000 0.8628000 
1 1 1  -47   15    7 o   17.900   0.3665   17.760   0.4974   18.040   0.5385 -0.2871000 0.7331000 
1 1 1  -47   15    8 o   16.600   0.3944   17.140   0.5114   16.060   0.6005 1.080000 0.7888000 
1 1 1  -47   15    9 o   18.130   0.3607   18.350   0.4799   17.900   0.5387 0.4572000 0.7214000 
1 1 1  -47   15   10 o   8.9820   0.6842   8.5700   0.9488   9.3930   0.9861 -0.8223000 1.368000 
1 1 1  -47   15   11 o   13.920   0.5594   13.030   0.6714   14.810   0.8949 -1.780000 1.119000 
1 1 1  -47   15   12 o   16.170   0.5861   16.420   0.7610   15.920   0.8915 0.4940000 1.172000 
1 1 1  -47   15   13 o   7.1490   1.6750   7.1490   1.6750  ?   ?       ?      ? 
1 1 1  -47   15   14 o   6.3200   1.0970   5.5060   1.5430   7.1330   1.5580 -1.628000 2.193000 
1 1 1  -47   15   15 f   21.340   0.3471   21.510   0.4610   21.160   0.5189 0.3445000 0.6941000 
1 1 1  -47   15   16 o   7.4630   0.9330   7.5340   1.2650   7.3910   1.3720 0.1434000 1.866000 
1 1 1  -47   15   17 o   4.7700   1.1030   5.7920   1.5460   3.7480   1.5720 2.044000 2.205000 
1 1 1  -47   15   18 o   9.8810   0.7178   10.380   0.9034   9.3850   1.1160 0.9915000 1.436000 
1 1 1  -47   15   19 o   7.5860   0.9809   8.8150   1.1040   6.3570   1.6220 2.458000 1.962000 
1 1 1  -47   15   20 o   14.240   0.5355   15.200   0.6683   13.280   0.8370 1.916000 1.071000 
1 1 1  -47   15   21 o   8.9720   0.8308   9.3770   1.0870   8.5670   1.2570 0.8107000 1.662000 
1 1 1  -47   15   22 o   15.670   0.5472   15.990   0.7247   15.350   0.8202 0.6453000 1.094000 
1 1 1  -47   15   23 o   9.4290   0.9291   9.1830   1.2720   9.6750   1.3550 -0.4918000 1.858000 
1 1 1  -47   15   24 o   15.910   0.5517   16.690   0.7574   15.120   0.8023 1.563000 1.103000 
1 1 1  -47   15   25 o   4.1710   1.2680   4.4090   1.8970   3.9320   1.6830 0.4771000 2.536000 
1 1 1  -47   15   26 f   11.910   0.8441   12.370   1.2960   11.450   1.0820 0.9228000 1.688000 
1 1 1  -47   15   27 o   3.7500   1.2890   3.9100   1.9220   3.5900   1.7170 0.3206000 2.577000 
1 1 1  -47   15   28 o   3.4280   1.1170   4.1260   1.7770   2.7310   1.3550 1.395000 2.235000 
1 1 1  -47   15   29 o   2.4260   0.8485   2.6840   1.2980   2.1690   1.0940 0.5150000 1.697000 
1 1 1  -47   15   30 o   1.9930   1.0350   1.9930   1.0350  ?   ?       ?      ? 
1 1 1  -47   17    1 o   4.1610   1.0730   4.8240   1.5510   3.4990   1.4830 1.325000 2.146000 
1 1 1  -47   17    2 o   7.0840   0.9078   7.4460   1.1840   6.7220   1.3760 0.7235000 1.816000 
1 1 1  -47   17    3 o   8.8820   0.8712   7.9130   1.2770   9.8510   1.1850 -1.938000 1.742000 
1 1 1  -47   17    4 o   11.250   0.6853   11.750   0.8992   10.750   1.0340 1.003000 1.371000 
1 1 1  -47   17    5 o   11.200   0.7182   12.250   0.8916   10.150   1.1260 2.103000 1.436000 
1 1 1  -47   17    6 o   24.240   0.3976   24.210   0.5540   24.280   0.5705 -0.7193000E-01 0.7952000 
1 1 1  -47   17    7 o   25.500   0.3889   25.740   0.5340   25.260   0.5656 0.4855000 0.7779000 
1 1 1  -47   17    8 o   30.490   0.3708   30.760   0.5148   30.220   0.5337 0.5408000 0.7416000 
1 1 1  -47   17    9 o   8.0430   1.0010   6.4670   1.6120   9.6200   1.1850 -3.152000 2.001000 
1 1 1  -47   17   10 o   7.7450   0.8883   8.2300   1.1350   7.2600   1.3670 0.9706000 1.777000 
1 1 1  -47   17   11 o   20.050   0.3724   20.420   0.5024   19.670   0.5497 0.7514000 0.7447000 
1 1 1  -47   17   12 o   3.2530   1.0200   3.0890   1.3860   3.4170   1.4970 -0.3280000 2.040000 
1 1 1  -47   17   13 o   14.280   0.4940   14.240   0.6603   14.320   0.7350 -0.8071000E-01 0.9881000 
1 1 1  -47   17   14 o   21.370   0.3736   21.810   0.4970   20.920   0.5579 0.8917000 0.7472000 
1 1 1  -47   17   15 o   19.160   0.4058   20.240   0.5171   18.090   0.6257 2.155000 0.8117000 
1 1 1  -47   17   16 o   6.5730   1.0760   6.4810   1.4360   6.6650   1.6040 -0.1834000 2.153000 
1 1 1  -47   17   17 o   9.7310   0.8327   8.2610   1.3480   11.200   0.9779 -2.941000 1.665000 
1 1 1  -47   17   18 o   12.580   0.6176   13.320   0.7936   11.840   0.9466 1.479000 1.235000 
1 1 1  -47   17   19 o   14.890   0.5269   15.390   0.7034   14.390   0.7846 1.002000 1.054000 
1 1 1  -47   17   20 o   4.0170   1.1110   2.7850   1.3290   5.2490   1.7800 -2.464000 2.221000 
1 1 1  -47   17   21 o   11.290   0.7997   11.850   1.0170   10.730   1.2350 1.116000 1.599000 
1 1 1  -47   17   22 o   11.270   0.7596   10.960   1.1100   11.590   1.0380 -0.6289000 1.519000 
1 1 1  -47   17   23 o   5.6650   1.2660   5.8660   1.7660   5.4630   1.8130 0.4033000 2.531000 
1 1 1  -47   17   24 o   4.8710   1.3400   4.7450   1.8760   4.9960   1.9150 -0.2508000 2.681000 
1 1 1  -47   17   25 f   3.5850   1.1610   3.7340   1.6790   3.4350   1.6040 0.2991000 2.322000 
1 1 1  -47   17   26 o   4.5870   1.3290   4.9930   1.9330   4.1800   1.8250 0.8129000 2.658000 
1 1 1  -47   17   27 o   2.9960   1.0440   3.3670   1.6250   2.6250   1.3120 0.7425000 2.089000 
1 1 1  -47   17   28 f   2.8750   0.9973   3.0540   1.5040   2.6960   1.3110 0.3583000 1.995000 
1 1 1  -47   19    1 o   14.200   0.5152   14.180   0.7097   14.230   0.7471 -0.5635000E-01 1.030000 
1 1 1  -47   19    2 o   10.230   0.6835   10.350   0.9413   10.120   0.9914 0.2299000 1.367000 
1 1 1  -47   19    3 o   10.080   0.7051   9.2800   1.0430   10.870   0.9493 -1.594000 1.410000 
1 1 1  -47   19    4 o   6.8690   1.1250   6.7620   1.4720   6.9760   1.7020 -0.2140000 2.251000 
1 1 1  -47   19    5 o   14.560   0.5081   14.440   0.6931   14.690   0.7431 -0.2515000 1.016000 
1 1 1  -47   19    6 o   22.950   0.3679   22.390   0.5140   23.520   0.5265 -1.125000 0.7358000 
1 1 1  -47   19    7 o   4.2280   1.1320   3.3240   1.4700   5.1320   1.7230 -1.808000 2.265000 
1 1 1  -47   19    8 f   12.910   0.5828   14.340   0.7073   11.480   0.9266 2.866000 1.166000 
1 1 1  -47   19    9 o   7.3480   0.9950   6.8040   1.4250   7.8910   1.3890 -1.087000 1.990000 
1 1 1  -47   19   10 o   8.9920   0.8184   7.9970   1.2300   9.9870   1.0800 -1.990000 1.637000 
1 1 1  -47   19   11 o   14.190   0.5259   14.630   0.6807   13.740   0.8017 0.8925000 1.052000 
1 1 1  -47   19   12 o   10.150   0.7476   11.120   0.8842   9.1810   1.2060 1.936000 1.495000 
1 1 1  -47   19   13 o   4.0130   1.1540   4.0070   1.5970   4.0190   1.6650 -0.1201000E-01 2.307000 
1 1 1  -47   19   14 o   10.630   0.7177   10.060   0.9926   11.200   1.0370 -1.141000 1.435000 
1 1 1  -47   19   15 o   4.7380   1.1920   5.3970   1.6900   4.0790   1.6810 1.318000 2.384000 
1 1 1  -47   19   16 o   9.4850   0.8315   9.8640   1.0580   9.1060   1.2830 0.7580000 1.663000 
1 1 1  -47   19   17 o   3.5020   1.0810   4.0430   1.6390   2.9610   1.4080 1.083000 2.161000 
1 1 1  -47   19   18 o   9.1910   0.9127   10.230   1.0300   8.1540   1.5070 2.075000 1.825000 
1 1 1  -47   19   19 o   9.4830   0.9357   9.4870   1.1600   9.4790   1.4680 0.8375000E-02 1.871000 
1 1 1  -47   19   20 o   3.8640   1.1890   4.4150   1.7950   3.3140   1.5590 1.100000 2.378000 
1 1 1  -47   19   21 o   8.1030   1.2190   6.4690   1.9300   9.7380   1.4900 -3.270000 2.438000 
1 1 1  -47   19   22 o   4.5130   1.3090   4.0890   1.7770   4.9370   1.9220 -0.8475000 2.618000 
1 1 1  -47   19   23 o   8.7780   0.9916   9.8460   1.2190   7.7100   1.5640 2.136000 1.983000 
1 1 1  -47   19   24 o   3.9990   1.1780   4.4360   1.7410   3.5620   1.5850 0.8741000 2.355000 
1 1 1  -47   19   25 o   4.0000   1.2420   4.1230   1.7800   3.8770   1.7310 0.2463000 2.483000 
1 1 1  -47   19   26 o   3.7770   1.1980   3.4860   1.6170   4.0680   1.7670 -0.5815000 2.395000 
1 1 1  -47   21    1 o   5.3490   1.1860   6.0830   1.6310   4.6140   1.7220 1.468000 2.372000 
1 1 1  -47   21    2 o   4.1710   1.1110   5.2490   1.6990   3.0920   1.4320 2.157000 2.222000 
1 1 1  -47   21    3 o   8.9480   0.8959   9.4510   1.1150   8.4450   1.4020 1.007000 1.792000 
1 1 1  -47   21    4 o   8.0200   1.0500   7.5870   1.3840   8.4530   1.5780 -0.8651000 2.099000 
1 1 1  -47   21    5 o   12.640   0.6320   13.410   0.7769   11.870   0.9970 1.545000 1.264000 
1 1 1  -47   21    6 o   26.240   0.3641   26.410   0.4931   26.070   0.5357 0.3410000 0.7281000 
1 1 1  -47   21    7 o   11.670   0.6637   11.210   0.9284   12.130   0.9486 -0.9222000 1.327000 
1 1 1  -47   21    8 o   7.6460   1.0460   8.1830   1.3230   7.1100   1.6220 1.073000 2.093000 
1 1 1  -47   21    9 o   17.730   0.4572   17.530   0.6189   17.930   0.6733 -0.3955000 0.9145000 
1 1 1  -47   21   10 o   13.880   0.5660   14.460   0.7374   13.300   0.8590 1.168000 1.132000 
1 1 1  -47   21   11 f   10.620   0.7336   10.730   1.0010   10.510   1.0730 0.2228000 1.467000 
1 1 1  -47   21   12 o   10.040   0.7952   10.590   1.0250   9.4920   1.2160 1.096000 1.590000 
1 1 1  -47   21   13 o   11.110   0.7405   12.490   0.8837   9.7190   1.1880 2.773000 1.481000 
1 1 1  -47   21   14 o   13.020   0.6708   13.680   0.8277   12.370   1.0560 1.308000 1.342000 
1 1 1  -47   21   15 o   3.0550   1.0130   2.8600   1.3590   3.2490   1.5030 -0.3885000 2.027000 
1 1 1  -47   21   16 o   6.4210   1.1280   4.5990   1.7260   8.2430   1.4520 -3.643000 2.255000 
1 1 1  -47   21   17 o   5.2390   1.4320   4.1220   1.8650   6.3560   2.1740 -2.234000 2.864000 
1 1 1  -47   21   18 o   4.6770   1.3840   5.6850   2.1590   3.6690   1.7330 2.016000 2.768000 
1 1 1  -47   21   19 o   4.0250   1.2100   3.1380   1.5020   4.9120   1.8970 -1.774000 2.420000 
1 1 1  -47   21   20 o   7.4840   1.0940   9.6190   1.2420   5.3490   1.8010 4.270000 2.188000 
1 1 1  -47   21   21 o   9.1480   0.9355   9.8350   1.2360   8.4620   1.4050 1.373000 1.871000 
1 1 1  -47   21   22 f   5.4860   1.2280   6.4720   1.7250   4.4990   1.7490 1.973000 2.456000 
1 1 1  -47   21   23 o   2.3310   0.8235   2.2240   1.1180   2.4370   1.2090 -0.2137000 1.647000 
1 1 1  -47   21   24 o   8.0050   1.2330   7.6950   1.7920   8.3140   1.6950 -0.6190000 2.466000 
1 1 1  -47   23    1 o   4.8570   1.2760   4.2600   1.7560   5.4540   1.8500 -1.194000 2.551000 
1 1 1  -47   23    2 o   4.9180   1.2320   4.3000   1.7130   5.5370   1.7720 -1.237000 2.465000 
1 1 1  -47   23    3 o   4.7210   1.2650   4.8440   1.7710   4.5980   1.8070 0.2464000 2.530000 
1 1 1  -47   23    4 o   7.5680   1.2070   7.6750   1.5270   7.4610   1.8690 0.2136000 2.414000 
1 1 1  -47   23    5 o   10.200   0.8214   10.560   1.0870   9.8390   1.2320 0.7211000 1.643000 
1 1 1  -47   23    6 o   4.1270   1.1890   4.5790   1.7490   3.6740   1.6110 0.9046000 2.377000 
1 1 1  -47   23    7 o   8.8440   0.9136   8.6520   1.3120   9.0360   1.2710 -0.3844000 1.827000 
1 1 1  -47   23    8 o   5.6000   1.2130   6.5670   1.6780   4.6330   1.7530 1.934000 2.427000 
1 1 1  -47   23    9 o   16.500   0.5059   17.030   0.6982   15.970   0.7323 1.068000 1.012000 
1 1 1  -47   23   10 o   7.9420   1.1490   8.9350   1.4680   6.9480   1.7670 1.987000 2.297000 
1 1 1  -47   23   11 o   10.240   0.9046   10.320   1.2600   10.160   1.2980 0.1597000 1.809000 
1 1 1  -47   23   12 o   11.420   0.8196   11.800   1.0960   11.040   1.2190 0.7523000 1.639000 
1 1 1  -47   23   13 o   18.010   0.6622   18.720   0.7531   17.290   1.0890 1.430000 1.324000 
1 1 1  -47   23   14 o   5.2460   1.4870   5.8010   2.1750   4.6910   2.0280 1.110000 2.973000 
1 1 1  -47   23   15 o   19.030   0.5589   18.980   0.7842   19.080   0.7966 -0.9831000E-01 1.118000 
1 1 1  -47   23   16 o   7.8710   1.1420   9.7410   1.4240   6.0010   1.7850 3.741000 2.283000 
1 1 1  -47   23   17 o   3.4140   1.0860   3.9340   1.6690   2.8940   1.3900 1.040000 2.172000 
1 1 1  -47   23   18 o   6.1420   1.2450   6.5680   1.7060   5.7150   1.8120 0.8536000 2.489000 
1 1 1  -47   23   19 o   6.4610   1.1960   7.5850   1.5620   5.3360   1.8110 2.249000 2.391000 
1 1 1  -47   23   20 o   4.6420   1.2350   4.9460   1.7680   4.3370   1.7250 0.6088000 2.470000 
1 1 1  -47   23   21 o   2.1100   0.7541   1.9970   1.0150   2.2230   1.1160 -0.2265000 1.508000 
1 1 1  -47   23   22 o   2.7410   0.9715   3.1730   1.5340   2.3090   1.1930 0.8644000 1.943000 
1 1 1  -47   25    1 o   4.8340   1.3840   4.2800   1.8290   5.3880   2.0760 -1.108000 2.767000 
1 1 1  -47   25    2 o   4.3300   1.2990   4.7980   1.9020   3.8620   1.7700 0.9357000 2.598000 
1 1 1  -47   25    3 o   3.1920   1.1070   2.6930   1.3350   3.6910   1.7670 -0.9977000 2.215000 
1 1 1  -47   25    4 o   3.5710   1.2200   2.8340   1.3940   4.3080   2.0030 -1.473000 2.440000 
1 1 1  -47   25    5 o   4.7340   1.3250   3.4290   1.6120   6.0390   2.1020 -2.610000 2.650000 
1 1 1  -47   25    6 o   4.9070   1.3950   5.1200   1.9800   4.6940   1.9650 0.4264000 2.790000 
1 1 1  -47   25    7 o   4.5690   1.3400   3.7670   1.7110   5.3700   2.0630 -1.603000 2.680000 
1 1 1  -47   25    8 o   6.0440   1.4430   6.2880   2.0080   5.8000   2.0740 0.4878000 2.887000 
1 1 1  -47   25    9 o   3.7570   1.2090   3.3580   1.5790   4.1560   1.8320 -0.7975000 2.419000 
1 1 1  -47   25   10 o   3.7000   1.1940   4.0990   1.7860   3.3010   1.5840 0.7978000 2.388000 
1 1 1  -47   25   11 o   3.1390   1.0440   2.7280   1.3500   3.5500   1.5930 -0.8215000 2.088000 
1 1 1  -47   25   12 o   3.4390   1.0910   3.6490   1.5920   3.2280   1.4920 0.4213000 2.182000 
1 1 1  -47   25   13 o   3.9250   1.1630   4.4100   1.7260   3.4410   1.5580 0.9682000 2.326000 
1 1 1  -47   25   14 o   11.040   0.7614   11.710   0.9898   10.370   1.1570 1.342000 1.523000 
1 1 1  -47   25   15 o   7.2300   1.1000   8.9540   1.2790   5.5070   1.7900 3.447000 2.200000 
1 1 1  -47   25   16 o   8.2460   1.0090   8.5410   1.3660   7.9510   1.4860 0.5895000 2.018000 
1 1 1  -47   25   17 o   2.4850   0.8662   2.6770   1.2980   2.2940   1.1470 0.3835000 1.732000 
1 1 1  -47   25   18 o   2.6450   0.9191   3.0170   1.4380   2.2720   1.1450 0.7455000 1.838000 
1 1 1  -47   25   19 o   2.0340   1.0550  ?   ?    2.0340   1.0550      ?      ? 
1 1 1  -47   27    1 o   3.3380   1.0950   3.6260   1.6040   3.0510   1.4910 0.5753000 2.190000 
1 1 1  -47   27    2 o   3.6560   1.1180   4.5330   1.7600   2.7790   1.3790 1.754000 2.236000 
1 1 1  -47   27    3 o   3.0620   1.0280   3.2860   1.5040   2.8370   1.4010 0.4494000 2.055000 
1 1 1  -47   27    4 o   3.2200   1.0830   2.7880   1.3460   3.6530   1.6980 -0.8646000 2.167000 
1 1 1  -47   27    5 o   3.1880   1.0580   3.4630   1.5540   2.9120   1.4350 0.5507000 2.116000 
1 1 1  -47   27    6 o   8.7150   1.1740   10.970   1.0670   6.4570   2.0920 4.516000 2.349000 
1 1 1  -47   27    7 o   8.7210   1.1630   11.470   1.0280   5.9710   2.0860 5.498000 2.325000 
1 1 1  -47   27    8 o   3.4920   1.1210   3.3310   1.5180   3.6530   1.6500 -0.3219000 2.243000 
1 1 1  -47   27    9 o   3.9360   1.1730   3.8470   1.6340   4.0250   1.6840 -0.1771000 2.346000 
1 1 1  -47   27   10 o   3.1560   1.0500   2.9980   1.4310   3.3140   1.5370 -0.3160000 2.099000 
1 1 1  -47   27   11 o   2.9720   0.9842   4.1080   1.7270   1.8360   0.9441 2.272000 1.968000 
1 1 1  -47   27   12 o   1.9200   0.6953   1.9340   0.9903   1.9050   0.9762 0.2878000E-01 1.391000 
1 1 1  -47   27   13 o   3.2120   1.0590   2.9990   1.4330   3.4250   1.5600 -0.4263000 2.118000 
1 1 1  -47   27   14 o   2.2050   1.1230  ?   ?    2.2050   1.1230      ?      ? 
1 1 1  -46    0    1 o   64.530   0.6008   64.530   0.6008   64.530   0.6008 0.000000 0.000000 
1 1 1  -46    0    2 o   11.680   0.7594   11.680   0.7594   11.680   0.7594 0.000000 0.000000 
1 1 1  -46    0    3 o   8.2340   1.1120   8.2340   1.1120   8.2340   1.1120 0.000000 0.000000 
1 1 1  -46    0    4 o   5.9230   1.6170   5.9230   1.6170   5.9230   1.6170 0.000000 0.000000 
1 1 1  -46    0    5 o   10.460   0.7997   10.460   0.7997   10.460   0.7997 0.000000 0.000000 
1 1 1  -46    0    6 f   14.470   0.5605   14.470   0.5605   14.470   0.5605 -0.000000 0.000000 
1 1 1  -46    0    7 o   8.8930   0.8302   8.8930   0.8302   8.8930   0.8302 -0.000000 0.000000 
1 1 1  -46    0    8 o   11.500   0.6061   11.500   0.6061   11.500   0.6061 0.000000 0.000000 
1 1 1  -46    0    9 o   3.1920   1.6580   3.1920   1.6580   3.1920   1.6580 -0.000000 0.000000 
1 1 1  -46    0   10 o   39.120   0.4051   39.120   0.4051   39.120   0.4051 -0.000000 0.000000 
1 1 1  -46    0   11 o   12.140   0.5835   12.140   0.5835   12.140   0.5835 -0.000000 0.000000 
1 1 1  -46    0   12 o   4.1890   1.6570   4.1890   1.6570   4.1890   1.6570 0.000000 0.000000 
1 1 1  -46    0   13 o   37.130   0.5460   37.130   0.5460   37.130   0.5460 0.000000 0.000000 
1 1 1  -46    0   14 o   6.2830   1.6520   6.2830   1.6520   6.2830   1.6520 0.000000 0.000000 
1 1 1  -46    0   15 o   2.1750   1.4010   2.1750   1.4010   2.1750   1.4010 0.000000 0.000000 
1 1 1  -46    0   16 o   53.040   0.5072   53.040   0.5072   53.040   0.5072 0.000000 0.000000 
1 1 1  -46    0   17 o   2.2740   1.4410   2.2740   1.4410   2.2740   1.4410 -0.000000 0.000000 
1 1 1  -46    0   18 o   8.1540   0.9019   8.1540   0.9019   8.1540   0.9019 0.000000 0.000000 
1 1 1  -46    0   19 o   11.020   0.6788   11.020   0.6788   11.020   0.6788 -0.000000 0.000000 
1 1 1  -46    0   20 o   4.2470   1.7330   4.2470   1.7330   4.2470   1.7330 0.000000 0.000000 
1 1 1  -46    0   21 o   9.3320   0.7949   9.3320   0.7949   9.3320   0.7949 0.000000 0.000000 
1 1 1  -46    0   22 o   12.110   0.6775   12.110   0.6775   12.110   0.6775 -0.000000 0.000000 
1 1 1  -46    0   23 o   4.7920   2.1170   4.7920   2.1170   4.7920   2.1170 -0.000000 0.000000 
1 1 1  -46    0   24 o   3.4150   1.8060   3.4150   1.8060   3.4150   1.8060 -0.000000 0.000000 
1 1 1  -46    0   25 o   3.9770   1.8740   3.9770   1.8740   3.9770   1.8740 0.000000 0.000000 
1 1 1  -46    0   26 o   29.420   0.4281   29.420   0.4281   29.420   0.4281 -0.000000 0.000000 
1 1 1  -46    0   27 o   12.300   0.8046   12.300   0.8046   12.300   0.8046 0.000000 0.000000 
1 1 1  -46    0   28 o   3.0620   1.9820   3.0620   1.9820   3.0620   1.9820 0.000000 0.000000 
1 1 1  -46    0   29 o   3.7080   1.9670   3.7080   1.9670   3.7080   1.9670 -0.000000 0.000000 
1 1 1  -46    0   30 o   17.600   0.6393   17.600   0.6393   17.600   0.6393 0.000000 0.000000 
1 1 1  -46    0   31 o   7.0950   1.8210   7.0950   1.8210   7.0950   1.8210 -0.000000 0.000000 
1 1 1  -46    0   32 o   3.7600   2.0670   3.7600   2.0670   3.7600   2.0670 0.000000 0.000000 
1 1 1  -46    0   33 o   2.9370   1.8450   2.9370   1.8450   2.9370   1.8450 -0.000000 0.000000 
1 1 1  -46    0   34 o   1.7780   1.2780   1.7780   1.2780   1.7780   1.2780 0.000000 0.000000 
1 1 1  -46    2    1 o   8.0820   0.9192   7.3230   1.5740   8.8420   0.9503 -1.519000 1.838000 
1 1 1  -46    2    2 o   21.650   0.4667   20.610   0.7879   22.700   0.5005 -2.085000 0.9335000 
1 1 1  -46    2    3 o   17.690   0.4554   18.390   0.6568   17.000   0.6310 1.390000 0.9108000 
1 1 1  -46    2    4 f   39.790   0.2946   40.300   0.4201   39.280   0.4132 1.017000 0.5893000 
1 1 1  -46    2    5 o   25.410   0.2605   25.040   0.3706   25.780   0.3662 -0.7328000 0.5210000 
1 1 1  -46    2    6 o   18.500   0.3025   19.060   0.4060   17.940   0.4486 1.114000 0.6051000 
1 1 1  -46    2    7 o   34.700   0.3416   33.980   0.5298   35.420   0.4313 -1.443000 0.6831000 
1 1 1  -46    2    8 o   32.550   0.3131   31.980   0.4390   33.130   0.4467 -1.150000 0.6263000 
1 1 1  -46    2    9 o   8.7610   0.7003   9.0850   0.9426   8.4380   1.0360 0.6464000 1.401000 
1 1 1  -46    2   10 o   10.910   0.4817   11.020   0.7133   10.790   0.6475 0.2302000 0.9633000 
1 1 1  -46    2   11 o   4.8010   1.0280   4.7670   1.5100   4.8350   1.3960 -0.6754000E-01 2.056000 
1 1 1  -46    2   12 o   31.800   0.2869   31.580   0.3872   32.020   0.4234 -0.4406000 0.5737000 
1 1 1  -46    2   13 o   22.590   0.2778   22.510   0.4025   22.660   0.3831 -0.1478000 0.5557000 
1 1 1  -46    2   14 o   43.490   0.3353   43.620   0.4436   43.360   0.5027 0.2571000 0.6705000 
1 1 1  -46    2   15 o   8.7490   0.7105   8.8190   1.0420   8.6790   0.9661 0.1393000 1.421000 
1 1 1  -46    2   16 o   12.440   0.4168   12.500   0.5942   12.390   0.5845 0.1124000 0.8335000 
1 1 1  -46    2   17 o   26.160   0.2708   26.080   0.3851   26.240   0.3808 -0.1623000 0.5416000 
1 1 1  -46    2   18 o   22.270   0.2836   22.280   0.4025   22.260   0.3997 0.1920000E-01 0.5673000 
1 1 1  -46    2   19 o   22.480   0.2873   22.450   0.4078   22.520   0.4048 -0.6950000E-01 0.5746000 
1 1 1  -46    2   20 o   25.460   0.2816   25.570   0.3962   25.360   0.4004 0.2168000 0.5632000 
1 1 1  -46    2   21 o   26.520   0.3102   26.300   0.4763   26.740   0.3974 -0.4370000 0.6204000 
1 1 1  -46    2   22 o   18.570   0.3885   18.180   0.5813   18.950   0.5155 -0.7658000 0.7769000 
1 1 1  -46    2   23 f   17.200   0.4038   17.060   0.5464   17.350   0.5946 -0.2897000 0.8075000 
1 1 1  -46    2   24 o   9.7240   0.6973   9.2010   0.9876   10.250   0.9847 -1.045000 1.395000 
1 1 1  -46    2   25 o   2.5950   0.8678   2.3690   1.1490   2.8210   1.3010 -0.4524000 1.736000 
1 1 1  -46    2   26 o   26.170   0.3173   26.310   0.4513   26.030   0.4460 0.2761000 0.6345000 
1 1 1  -46    2   27 o   3.5130   1.0990   3.7830   1.6110   3.2430   1.4950 0.5400000 2.197000 
1 1 1  -46    2   28 o   6.2160   1.2450   5.6490   1.8270   6.7840   1.6930 -1.134000 2.490000 
1 1 1  -46    2   29 o   11.240   0.6860   11.490   0.9315   10.990   1.0070 0.4952000 1.372000 
1 1 1  -46    2   30 o   10.450   0.7560   10.070   1.0910   10.830   1.0470 -0.7549000 1.512000 
1 1 1  -46    2   31 o   3.5710   1.1200   3.3500   1.5180   3.7930   1.6470 -0.4429000 2.240000 
1 1 1  -46    2   32 o   8.3750   1.0290   9.2420   1.2900   7.5080   1.6030 1.734000 2.057000 
1 1 1  -46    2   33 o   3.3890   1.0870   3.3460   1.5190   3.4320   1.5550 -0.8629000E-01 2.174000 
1 1 1  -46    2   34 o   4.6120   1.2110   3.9550   1.6600   5.2690   1.7640 -1.315000 2.422000 
1 1 1  -46    4    1 f   50.810   0.4091   49.970   0.5689   51.650   0.5882 -1.677000 0.8183000 
1 1 1  -46    4    2 o   11.080   0.3978   11.060   0.6164   11.100   0.5030 -0.3973000E-01 0.7956000 
1 1 1  -46    4    3 o   12.870   1.3420  ?   ?    12.870   1.3420      ?      ? 
1 1 1  -46    4    4 o   16.990   1.4110  ?   ?    16.990   1.4110      ?      ? 
1 1 1  -46    4    5 o   23.200   1.0400  ?   ?    23.200   1.0400      ?      ? 
1 1 1  -46    4    6 o   15.160   1.3850  ?   ?    15.160   1.3850      ?      ? 
1 1 1  -46    4    7 o   29.880   0.8769  ?   ?    29.880   0.8769      ?      ? 
1 1 1  -46    4    8 o   16.150   0.8688  ?   ?    16.150   0.8688      ?      ? 
1 1 1  -46    4    9 o   17.430   0.3723  ?   ?    17.430   0.3723      ?      ? 
1 1 1  -46    4   10 o   27.920   0.2922   27.470   0.3774   28.370   0.4461 -0.9025000 0.5843000 
1 1 1  -46    4   11 o   15.170   0.4255   15.510   0.6006   14.830   0.6028 0.6802000 0.8510000 
1 1 1  -46    4   12 o   24.610   0.2733   24.330   0.3990   24.900   0.3736 -0.5699000 0.5466000 
1 1 1  -46    4   13 o   45.720   0.3220   45.700   0.4585   45.730   0.4522 -0.2645000E-01 0.6440000 
1 1 1  -46    4   14 o   14.540   0.3722   14.320   0.5455   14.760   0.5064 -0.4409000 0.7443000 
1 1 1  -46    4   15 o   27.990   0.3259   28.370   0.4693   27.600   0.4523 0.7718000 0.6517000 
1 1 1  -46    4   16 o   29.350   0.3250   29.360   0.4646   29.330   0.4544 0.3610000E-01 0.6499000 
1 1 1  -46    4   17 o   9.4060   0.5581   9.8440   0.7447   8.9670   0.8314 0.8768000 1.116000 
1 1 1  -46    4   18 o   23.000   0.2831   22.910   0.4039   23.080   0.3967 -0.1719000 0.5661000 
1 1 1  -46    4   19 o   29.020   0.2969   29.830   0.3948   28.200   0.4435 1.626000 0.5937000 
1 1 1  -46    4   20 o   7.4100   0.8764   8.3710   1.1260   6.4490   1.3430 1.923000 1.753000 
1 1 1  -46    4   21 o   6.9670   0.9469   5.9050   1.5320   8.0290   1.1140 -2.124000 1.894000 
1 1 1  -46    4   22 o   23.020   0.3050   23.350   0.4300   22.700   0.4326 0.6552000 0.6100000 
1 1 1  -46    4   23 o   11.800   0.5078   11.670   0.7104   11.940   0.7257 -0.2705000 1.016000 
1 1 1  -46    4   24 o   19.280   0.3951   18.880   0.5449   19.680   0.5723 -0.8025000 0.7902000 
1 1 1  -46    4   25 o   15.580   0.4219   15.400   0.5959   15.750   0.5975 -0.3469000 0.8439000 
1 1 1  -46    4   26 o   15.480   0.5041   15.600   0.6878   15.350   0.7371 0.2511000 1.008000 
1 1 1  -46    4   27 o   12.970   0.5301   12.430   0.7559   13.500   0.7435 -1.076000 1.060000 
1 1 1  -46    4   28 o   22.490   0.4340   22.420   0.6168   22.570   0.6108 -0.1534000 0.8681000 
1 1 1  -46    4   29 o   7.3400   1.2340   6.7820   1.8250   7.8970   1.6620 -1.116000 2.468000 
1 1 1  -46    4   30 o   12.370   0.6542   12.320   0.9061   12.420   0.9437 -0.9827000E-01 1.308000 
1 1 1  -46    4   31 o   15.720   0.5272   15.810   0.7252   15.630   0.7654 0.1730000 1.054000 
1 1 1  -46    4   32 o   4.8370   1.1550   6.1800   1.6890   3.4940   1.5760 2.686000 2.310000 
1 1 1  -46    4   33 o   4.0460   1.1720   3.5190   1.5550   4.5740   1.7530 -1.055000 2.344000 
1 1 1  -46    4   34 o   3.0490   1.0260   3.0130   1.4330   3.0840   1.4680 -0.7109000E-01 2.052000 
1 1 1  -46    6    1 o   13.900   0.3539   14.210   0.5074   13.590   0.4936 0.6185000 0.7079000 
1 1 1  -46    6    2 o   19.980   0.6313   18.860   0.8591   21.100   0.9252 -2.240000 1.263000 
1 1 1  -46    6    3 o   30.040   0.4959   30.320   0.6603   29.760   0.7400 0.5650000 0.9918000 
1 1 1  -46    6    4 o   35.520   0.4795   35.380   0.6498   35.670   0.7053 -0.2894000 0.9590000 
1 1 1  -46    6    5 o   12.180   1.1400   9.7310   1.5940   14.630   1.6290 -4.898000 2.280000 
1 1 1  -46    6    6 o   14.910   0.7319   14.730   1.0400   15.090   1.0300 -0.3675000 1.464000 
1 1 1  -46    6    7 o   61.420   0.5898   60.820   0.8275   62.030   0.8406 -1.206000 1.180000 
1 1 1  -46    6    8 f   28.570   0.4606   27.860   0.6568   29.290   0.6458 -1.431000 0.9211000 
1 1 1  -46    6    9 f   23.330   0.6852  ?   ?    23.330   0.6852      ?      ? 
1 1 1  -46    6   10 o   10.440   0.5686  ?   ?    10.440   0.5686      ?      ? 
1 1 1  -46    6   11 o   20.430   0.3860   20.970   0.6087   19.880   0.4748 1.088000 0.7719000 
1 1 1  -46    6   12 o   24.200   0.3625   25.020   0.6164   23.380   0.3818 1.640000 0.7251000 
1 1 1  -46    6   13 o   39.100   0.3572   39.280   0.5819   38.920   0.4145 0.3622000 0.7144000 
1 1 1  -46    6   14 o   35.970   0.3611   36.180   0.5613   35.760   0.4544 0.4134000 0.7222000 
1 1 1  -46    6   15 o   3.9480   0.9988   3.5120   1.3860   4.3840   1.4380 -0.8717000 1.998000 
1 1 1  -46    6   16 o   7.5930   0.9521   6.2040   1.5660   8.9820   1.0830 -2.778000 1.904000 
1 1 1  -46    6   17 o   6.7490   0.7990   6.9820   1.0570   6.5170   1.1980 0.4660000 1.598000 
1 1 1  -46    6   18 f   16.170   0.4127   16.530   0.5816   15.810   0.5856 0.7286000 0.8254000 
1 1 1  -46    6   19 o   18.050   0.3946   18.450   0.5644   17.650   0.5517 0.8032000 0.7892000 
1 1 1  -46    6   20 o   10.010   0.5608   9.6750   0.8015   10.340   0.7845 -0.6651000 1.122000 
1 1 1  -46    6   21 f   3.3120   0.9650   3.8340   1.4500   2.7910   1.2740 1.043000 1.930000 
1 1 1  -46    6   22 o   3.7040   1.0300   3.9190   1.4670   3.4880   1.4460 0.4310000 2.059000 
1 1 1  -46    6   23 o   6.1740   0.9772   5.8640   1.4050   6.4840   1.3580 -0.6199000 1.954000 
1 1 1  -46    6   24 o   4.9420   1.2280   5.4270   1.6860   4.4580   1.7870 0.9692000 2.457000 
1 1 1  -46    6   25 o   6.4710   1.1180   5.9660   1.5730   6.9750   1.5900 -1.009000 2.237000 
1 1 1  -46    6   26 o   19.520   0.3790   19.640   0.5196   19.400   0.5518 0.2452000 0.7579000 
1 1 1  -46    6   27 o   16.760   0.4457   16.890   0.6088   16.630   0.6510 0.2597000 0.8913000 
1 1 1  -46    6   28 o   7.3620   1.0240   7.6660   1.3500   7.0570   1.5410 0.6094000 2.049000 
1 1 1  -46    6   29 o   4.5170   1.2760   5.0200   1.8730   4.0140   1.7330 1.007000 2.551000 
1 1 1  -46    6   30 o   4.4070   1.1810   5.1270   1.7190   3.6870   1.6200 1.440000 2.362000 
1 1 1  -46    6   31 o   3.8750   1.0720   5.1370   1.7190   2.6140   1.2830 2.523000 2.145000 
1 1 1  -46    6   32 o   8.3430   0.9910   8.5870   1.3350   8.0990   1.4650 0.4886000 1.982000 
1 1 1  -46    6   33 o   8.6150   1.1810   10.180   1.4960   7.0460   1.8270 3.138000 2.362000 
1 1 1  -46    6   34 o   2.3110   1.1930   2.3110   1.1930  ?   ?       ?      ? 
1 1 1  -46    8    1 o   25.310   0.3234   26.300   0.3893   24.310   0.5167 1.988000 0.6469000 
1 1 1  -46    8    2 o   14.160   0.9111   12.300   1.3410   16.020   1.2340 -3.726000 1.822000 
1 1 1  -46    8    3 o   14.850   0.8372   14.120   1.1370   15.580   1.2290 -1.462000 1.674000 
1 1 1  -46    8    4 o   18.480   0.6949   19.240   0.8594   17.730   1.0920 1.509000 1.390000 
1 1 1  -46    8    5 o   19.320   0.6164   19.500   0.8390   19.140   0.9034 0.3577000 1.233000 
1 1 1  -46    8    6 o   7.9640   1.3750   7.2460   2.0030   8.6810   1.8840 -1.436000 2.750000 
1 1 1  -46    8    7 o   16.080   0.6887   16.710   0.9265   15.460   1.0190 1.257000 1.377000 
1 1 1  -46    8    8 o   26.430   0.6912  ?   ?    26.430   0.6912      ?      ? 
1 1 1  -46    8    9 o   29.330   0.4562   29.510   0.6460   29.150   0.6443 0.3594000 0.9124000 
1 1 1  -46    8   10 o   39.640   0.3852   39.160   0.6490   40.130   0.4149 -0.9762000 0.7703000 
1 1 1  -46    8   11 o   25.460   0.3079   25.250   0.4325   25.680   0.4385 -0.4259000 0.6159000 
1 1 1  -46    8   12 o   4.7660   0.9358   5.9490   1.2680   3.5830   1.3770 2.366000 1.872000 
1 1 1  -46    8   13 o   11.880   0.4345   12.230   0.5969   11.540   0.6315 0.6885000 0.8690000 
1 1 1  -46    8   14 o   6.4130   0.9223   6.2640   1.4520   6.5620   1.1380 -0.2980000 1.845000 
1 1 1  -46    8   15 o   18.690   0.3680   18.430   0.5792   18.950   0.4540 -0.5276000 0.7359000 
1 1 1  -46    8   16 o   4.2840   1.3660   5.3710   2.2810   3.1970   1.5030 2.174000 2.732000 
1 1 1  -46    8   17 o   20.090   0.3869   20.590   0.5769   19.600   0.5158 0.9883000 0.7738000 
1 1 1  -46    8   18 o   17.550   0.4071   17.760   0.6386   17.350   0.5053 0.4082000 0.8143000 
1 1 1  -46    8   19 o   24.270   0.2980   24.590   0.4222   23.950   0.4207 0.6355000 0.5960000 
1 1 1  -46    8   20 o   10.690   0.5427   11.150   0.7241   10.240   0.8085 0.9055000 1.085000 
1 1 1  -46    8   21 o   16.930   0.3723   16.710   0.5291   17.150   0.5238 -0.4369000 0.7445000 
1 1 1  -46    8   22 o   13.560   0.4533   13.270   0.6359   13.850   0.6463 -0.5732000 0.9066000 
1 1 1  -46    8   23 o   6.9200   1.0180   8.3030   1.1440   5.5360   1.6840 2.768000 2.036000 
1 1 1  -46    8   24 o   22.000   0.3751   22.310   0.5086   21.690   0.5515 0.6147000 0.7502000 
1 1 1  -46    8   25 o   8.1030   0.8429   8.5950   1.0750   7.6110   1.2990 0.9840000 1.686000 
1 1 1  -46    8   26 o   6.7740   1.0230   7.8330   1.2270   5.7140   1.6380 2.120000 2.046000 
1 1 1  -46    8   27 o   15.650   0.4736   15.520   0.6564   15.780   0.6829 -0.2660000 0.9472000 
1 1 1  -46    8   28 f   5.0090   1.1890   5.7260   1.6560   4.2920   1.7070 1.433000 2.378000 
1 1 1  -46    8   29 o   18.090   0.5579   17.870   0.7750   18.310   0.8028 -0.4421000 1.116000 
1 1 1  -46    8   30 o   7.9350   1.0440   9.5670   1.1420   6.3030   1.7470 3.264000 2.087000 
1 1 1  -46    8   31 o   4.6630   1.2140   3.9120   1.6390   5.4130   1.7900 -1.500000 2.427000 
1 1 1  -46    8   32 o   3.1070   1.0420   3.0350   1.4490   3.1800   1.4990 -0.1448000 2.085000 
1 1 1  -46    8   33 f   2.7970   0.9415   3.2850   1.4890   2.3080   1.1530 0.9764000 1.883000 
1 1 1  -46   10    1 o   16.180   0.5131   15.480   0.7599   16.870   0.6897 -1.392000 1.026000 
1 1 1  -46   10    2 o   20.390   0.3283   20.110   0.3860   20.670   0.5313 -0.5553000 0.6567000 
1 1 1  -46   10    3 f   4.9570   1.2330   4.9730   2.0090   4.9410   1.4300 0.3239000E-01 2.465000 
1 1 1  -46   10    4 o   22.040   0.7157   22.560   0.7709   21.520   1.2060 1.041000 1.431000 
1 1 1  -46   10    5 o   13.430   0.8419   14.190   1.0930   12.680   1.2810 1.511000 1.684000 
1 1 1  -46   10    6 o   14.250   0.7865   14.430   1.0760   14.070   1.1470 0.3596000 1.573000 
1 1 1  -46   10    7 o   9.2900   1.1850   9.7110   1.5650   8.8700   1.7790 0.8409000 2.370000 
1 1 1  -46   10    8 o   20.580   0.5611   21.130   0.7702   20.040   0.8163 1.094000 1.122000 
1 1 1  -46   10    9 o   35.420   0.2736   35.600   0.3851   35.230   0.3887 0.3752000 0.5472000 
1 1 1  -46   10   10 o   16.460   0.3509   16.000   0.4649   16.920   0.5257 -0.9148000 0.7018000 
1 1 1  -46   10   11 o   44.930   0.3759   44.960   0.5301   44.910   0.5331 0.5246000E-01 0.7518000 
1 1 1  -46   10   12 o   24.250   0.3169   25.050   0.4469   23.450   0.4494 1.597000 0.6338000 
1 1 1  -46   10   13 o   7.5680   0.8036   6.5150   1.2690   8.6220   0.9861 -2.107000 1.607000 
1 1 1  -46   10   14 o   29.740   0.3308   29.400   0.4755   30.070   0.4601 -0.6732000 0.6616000 
1 1 1  -46   10   15 o   23.950   0.3858   23.760   0.5581   24.140   0.5329 -0.3804000 0.7717000 
1 1 1  -46   10   16 o   17.940   0.4611   17.580   0.6723   18.300   0.6312 -0.7219000 0.9222000 
1 1 1  -46   10   17 o   7.0870   0.8560   8.2430   0.9543   5.9320   1.4210 2.310000 1.712000 
1 1 1  -46   10   18 o   9.9610   0.6143   10.430   0.8424   9.4950   0.8944 0.9313000 1.229000 
1 1 1  -46   10   19 o   10.360   0.6833  10.0000   1.1010   10.710   0.8091 -0.7068000 1.367000 
1 1 1  -46   10   20 o   17.100   0.4535   16.620   0.7258   17.580   0.5440 -0.9637000 0.9070000 
1 1 1  -46   10   21 o   4.7250   1.1370   3.5920   1.5860   5.8590   1.6280 -2.266000 2.273000 
1 1 1  -46   10   22 o   18.120   0.4788   18.240   0.7252   18.000   0.6254 0.2331000 0.9576000 
1 1 1  -46   10   23 o   8.2040   0.8243   7.3910   1.2830   9.0170   1.0350 -1.626000 1.649000 
1 1 1  -46   10   24 o   17.010   0.4544   16.880   0.6202   17.140   0.6643 -0.2633000 0.9088000 
1 1 1  -46   10   25 o   6.1130   1.0730   7.2800   1.3220   4.9460   1.6920 2.334000 2.147000 
1 1 1  -46   10   26 o   19.430   0.4265   19.480   0.6158   19.380   0.5903 0.1074000 0.8530000 
1 1 1  -46   10   27 o   18.850   0.4354   18.620   0.6004   19.090   0.6306 -0.4742000 0.8707000 
1 1 1  -46   10   28 o   3.4790   1.1370   3.4850   1.6040   3.4720   1.6110 0.1275000E-01 2.274000 
1 1 1  -46   10   29 o   4.0910   1.2510   3.9550   1.7280   4.2270   1.8090 -0.2720000 2.502000 
1 1 1  -46   10   30 o   5.1240   1.1960   6.3240   1.7190   3.9240   1.6620 2.400000 2.391000 
1 1 1  -46   10   31 o   5.5150   1.3330   4.8870   1.8600   6.1440   1.9100 -1.257000 2.666000 
1 1 1  -46   10   32 o   3.6390   1.1170   3.1250   1.4500   4.1530   1.7000 -1.027000 2.235000 
1 1 1  -46   12    1 o   20.090   0.4097   19.710   0.4398   20.460   0.6914 -0.7476000 0.8194000 
1 1 1  -46   12    2 f   13.710   0.4115   14.010   0.5559   13.410   0.6067 0.6004000 0.8229000 
1 1 1  -46   12    3 o   10.690   0.7416   10.720   1.1050   10.650   0.9889 0.6437000E-01 1.483000 
1 1 1  -46   12    4 o   22.790   0.4410   21.560   0.6139   24.020   0.6334 -2.461000 0.8821000 
1 1 1  -46   12    5 o   6.6110   1.1380   7.8670   1.3840   5.3540   1.8070 2.512000 2.276000 
1 1 1  -46   12    6 o   14.280   0.5464   14.360   0.6922   14.200   0.8456 0.1507000 1.093000 
1 1 1  -46   12    7 o   31.740   0.3936   31.720   0.5449   31.750   0.5680 -0.2936000E-01 0.7871000 
1 1 1  -46   12    8 o   7.5750   0.9472   7.0360   1.2990   8.1140   1.3790 -1.078000 1.894000 
1 1 1  -46   12    9 o   29.810   0.3661   30.100   0.4616   29.520   0.5685 0.5769000 0.7323000 
1 1 1  -46   12   10 o   11.890   0.4459   12.130   0.5763   11.650   0.6805 0.4759000 0.8917000 
1 1 1  -46   12   11 o   13.810   0.4012   13.020   0.5453   14.590   0.5887 -1.571000 0.8024000 
1 1 1  -46   12   12 o   10.840   0.5229   11.520   0.6295   10.170   0.8352 1.347000 1.046000 
1 1 1  -46   12   13 o   21.850   0.3312   21.820   0.4776   21.880   0.4590 -0.5954000E-01 0.6624000 
1 1 1  -46   12   14 o   24.570   0.3942   24.840   0.5618   24.300   0.5531 0.5398000 0.7883000 
1 1 1  -46   12   15 o   32.460   0.3686   31.950   0.5311   32.970   0.5113 -1.022000 0.7372000 
1 1 1  -46   12   16 o   16.490   0.3910   16.880   0.5171   16.100   0.5867 0.7849000 0.7821000 
1 1 1  -46   12   17 o   17.700   0.3745   17.650   0.5091   17.750   0.5495 -0.9642000E-01 0.7490000 
1 1 1  -46   12   18 o   21.320   0.3718   20.940   0.5094   21.710   0.5417 -0.7737000 0.7436000 
1 1 1  -46   12   19 o   15.140   0.4857   15.320   0.6394   14.950   0.7313 0.3728000 0.9714000 
1 1 1  -46   12   20 f   10.390   0.6245   10.820   0.8158   9.9650   0.9458 0.8579000 1.249000 
1 1 1  -46   12   21 o   11.210   0.5835   10.630   0.8301   11.780   0.8202 -1.150000 1.167000 
1 1 1  -46   12   22 o   3.0940   1.0270   3.7360   1.6680   2.4530   1.1970 1.283000 2.053000 
1 1 1  -46   12   23 o   27.400   0.4842   27.280   0.8066   27.520   0.5358 -0.2380000 0.9683000 
1 1 1  -46   12   24 o   2.9280   1.0130   3.1290   1.5290   2.7270   1.3300 0.4021000 2.027000 
1 1 1  -46   12   25 o   11.980   0.7924   11.870   1.2670   12.090   0.9525 -0.2194000 1.585000 
1 1 1  -46   12   26 o   10.410   0.8475   11.010   1.1850   9.8090   1.2120 1.201000 1.695000 
1 1 1  -46   12   27 o   11.330   0.6940   10.150   1.0360   12.500   0.9239 -2.345000 1.388000 
1 1 1  -46   12   28 o   9.3450   1.2200   10.530   1.2710   8.1570   2.0840 2.376000 2.441000 
1 1 1  -46   12   29 o   4.8630   1.2190   3.2380   1.5340   6.4890   1.8950 -3.252000 2.438000 
1 1 1  -46   12   30 o   10.840   0.8811   10.780   1.2370   10.900   1.2550 -0.1210000 1.762000 
1 1 1  -46   12   31 o   2.3120   0.8166   2.4790   1.2210   2.1450   1.0850 0.3337000 1.633000 
1 1 1  -46   14    1 o   4.4630   1.0610   4.8670   1.4870   4.0600   1.5140 0.8073000 2.122000 
1 1 1  -46   14    2 o   13.440   0.4332   13.410   0.6042   13.470   0.6210 -0.6656000E-01 0.8664000 
1 1 1  -46   14    3 o   15.030   0.3812   15.190   0.5309   14.870   0.5471 0.3239000 0.7623000 
1 1 1  -46   14    4 o   17.160   0.3576   17.480   0.4757   16.830   0.5341 0.6492000 0.7153000 
1 1 1  -46   14    5 o   4.3940   1.0150   3.4950   1.4010   5.2930   1.4680 -1.798000 2.029000 
1 1 1  -46   14    6 o   14.100   0.4204   13.950   0.5839   14.250   0.6051 -0.2938000 0.8409000 
1 1 1  -46   14    7 o   18.240   0.3505   18.380   0.4763   18.100   0.5142 0.2863000 0.7009000 
1 1 1  -46   14    8 o   21.420   0.3191   21.330   0.4348   21.520   0.4671 -0.1927000 0.6381000 
1 1 1  -46   14    9 o   14.980   0.4036   14.700   0.5497   15.260   0.5912 -0.5563000 0.8073000 
1 1 1  -46   14   10 o   16.350   0.3801   16.110   0.5167   16.580   0.5577 -0.4735000 0.7603000 
1 1 1  -46   14   11 o   13.750   0.4478   13.890   0.5844   13.610   0.6786 0.2763000 0.8956000 
1 1 1  -46   14   12 o   14.410   0.4971   14.790   0.5679   14.020   0.8159 0.7683000 0.9941000 
1 1 1  -46   14   13 o   11.220   0.7167   12.140   0.8981   10.300   1.1170 1.843000 1.433000 
1 1 1  -46   14   14 o   35.320   0.3417   35.380   0.5154   35.250   0.4489 0.1285000 0.6835000 
1 1 1  -46   14   15 o   28.520   0.3494   27.890   0.4831   29.150   0.5050 -1.266000 0.6989000 
1 1 1  -46   14   16 o   10.590   0.6856   10.560   0.9244   10.610   1.0130 -0.5024000E-01 1.371000 
1 1 1  -46   14   17 o   10.210   0.6648   9.4190   0.9859   11.000   0.8921 -1.576000 1.330000 
1 1 1  -46   14   18 o   11.060   0.6194   11.260   0.8272   10.860   0.9222 0.3981000 1.239000 
1 1 1  -46   14   19 o   18.140   0.4110   18.240   0.5528   18.050   0.6084 0.1869000 0.8221000 
1 1 1  -46   14   20 o   23.460   0.3566   23.560   0.4932   23.350   0.5153 0.2037000 0.7133000 
1 1 1  -46   14   21 o   7.1720   1.0140   7.5560   1.3110   6.7880   1.5480 0.7680000 2.029000 
1 1 1  -46   14   22 o   13.090   0.6104   11.560   0.8725   14.620   0.8539 -3.063000 1.221000 
1 1 1  -46   14   23 o   6.7050   1.2060   7.6420   1.5070   5.7680   1.8840 1.874000 2.412000 
1 1 1  -46   14   24 o   4.8100   1.1030   6.3500   1.6140   3.2700   1.5050 3.079000 2.207000 
1 1 1  -46   14   25 o   13.950   0.5952   13.810   0.8636   14.080   0.8194 -0.2692000 1.190000 
1 1 1  -46   14   26 o   3.7870   1.1560   3.0000   1.4680   4.5750   1.7850 -1.576000 2.311000 
1 1 1  -46   14   27 o   12.290   0.9291   10.960   1.5160   13.620   1.0750 -2.663000 1.858000 
1 1 1  -46   14   28 o   4.7250   1.3880   3.3280   1.6880   6.1220   2.2030 -2.795000 2.775000 
1 1 1  -46   14   29 o   2.8510   0.9738   2.8580   1.3890   2.8440   1.3650 0.1427000E-01 1.948000 
1 1 1  -46   14   30 o   8.6640   0.9629   9.5780   1.1780   7.7510   1.5240 1.827000 1.926000 
1 1 1  -46   16    1 o   18.470   0.4906   18.780   0.6408   18.160   0.7431 0.6187000 0.9812000 
1 1 1  -46   16    2 o   7.3320   1.1080   7.6320   1.4270   7.0310   1.6960 0.6016000 2.217000 
1 1 1  -46   16    3 o   11.280   0.7283   12.010   0.8946   10.560   1.1500 1.450000 1.457000 
1 1 1  -46   16    4 o   13.650   0.6208   14.130   0.8049   13.170   0.9453 0.9600000 1.242000 
1 1 1  -46   16    5 o   18.520   0.4163   18.720   0.5529   18.320   0.6224 0.4011000 0.8325000 
1 1 1  -46   16    6 o   16.030   0.4677   15.180   0.6557   16.880   0.6670 -1.702000 0.9354000 
1 1 1  -46   16    7 o   10.040   0.7174   10.050   0.9429   10.020   1.0820 0.2430000E-01 1.435000 
1 1 1  -46   16    8 o   10.680   0.8693   12.000   0.9881   9.3590   1.4310 2.642000 1.739000 
1 1 1  -46   16    9 o   12.830   0.6731   12.740   0.9064   12.910   0.9955 -0.1652000 1.346000 
1 1 1  -46   16   10 o   18.800   0.5074   19.320   0.6508   18.290   0.7787 1.031000 1.015000 
1 1 1  -46   16   11 o   16.550   0.5604   16.640   0.7276   16.460   0.8525 0.1826000 1.121000 
1 1 1  -46   16   12 o   16.700   0.4626   16.520   0.6105   16.880   0.6952 -0.3605000 0.9253000 
1 1 1  -46   16   13 o   26.040   0.3220   26.490   0.4352   25.590   0.4748 0.9040000 0.6441000 
1 1 1  -46   16   14 o   11.580   0.5900   10.930   0.8304   12.230   0.8384 -1.297000 1.180000 
1 1 1  -46   16   15 o   19.440   0.3804   19.410   0.5162   19.460   0.5589 -0.4382000E-01 0.7608000 
1 1 1  -46   16   16 o   9.3290   0.7896   9.7090   1.0640   8.9500   1.1670 0.7589000 1.579000 
1 1 1  -46   16   17 o   13.270   0.5491   13.170   0.7446   13.370   0.8071 -0.2040000 1.098000 
1 1 1  -46   16   18 o   10.460   0.7162   11.610   0.8412   9.3090   1.1590 2.298000 1.432000 
1 1 1  -46   16   19 o   9.4140   0.8070   9.9660   1.0000   8.8620   1.2660 1.103000 1.614000 
1 1 1  -46   16   20 o   8.5240   0.9357   10.480   0.9550   6.5680   1.6090 3.912000 1.871000 
1 1 1  -46   16   21 o   17.990   0.4803   18.670   0.5983   17.300   0.7514 1.375000 0.9605000 
1 1 1  -46   16   22 o   10.200   0.8759   9.5640   1.2640   10.830   1.2130 -1.270000 1.752000 
1 1 1  -46   16   23 o   3.6550   1.1060   4.2690   1.6780   3.0410   1.4400 1.228000 2.211000 
1 1 1  -46   16   24 o   11.380   0.7262   11.940   0.9392   10.820   1.1080 1.112000 1.452000 
1 1 1  -46   16   25 o   8.2420   1.1490   7.6890   1.8030   8.7960   1.4260 -1.107000 2.299000 
1 1 1  -46   16   26 o   3.5430   1.1590   3.8620   1.7280   3.2250   1.5450 0.6366000 2.317000 
1 1 1  -46   16   27 o   4.0410   1.2580   3.9830   1.7590   4.0990   1.7970 -0.1158000 2.515000 
1 1 1  -46   16   28 o   6.8620   1.1950   8.6380   1.5630   5.0860   1.8070 3.552000 2.389000 
1 1 1  -46   16   29 o   4.8940   1.2130   3.5090   1.6760   6.2790   1.7530 -2.770000 2.425000 
1 1 1  -46   18    1 o   10.550   0.6338   10.030   0.9234   11.080   0.8684 -1.047000 1.268000 
1 1 1  -46   18    2 o   8.2770   0.8138   8.0000   1.1830   8.5550   1.1180 -0.5548000 1.628000 
1 1 1  -46   18    3 o   15.050   0.5571   14.330   0.6692   15.770   0.8908 -1.432000 1.114000 
1 1 1  -46   18    4 o   24.700   0.3727   24.600   0.4725   24.790   0.5765 -0.1853000 0.7454000 
1 1 1  -46   18    5 o   10.760   0.7426   9.6660   0.9765   11.850   1.1190 -2.182000 1.485000 
1 1 1  -46   18    6 f   17.910   0.4215   17.690   0.5790   18.120   0.6127 -0.4336000 0.8429000 
1 1 1  -46   18    7 o   10.770   0.6648   10.650   0.9159   10.890   0.9638 -0.2433000 1.330000 
1 1 1  -46   18    8 o   17.720   0.4307   18.810   0.5578   16.630   0.6565 2.180000 0.8615000 
1 1 1  -46   18    9 o   19.930   0.3860   19.960   0.5275   19.890   0.5637 0.6953000E-01 0.7720000 
1 1 1  -46   18   10 o   26.000   0.3359   25.480   0.4625   26.520   0.4872 -1.036000 0.6718000 
1 1 1  -46   18   11 o   16.620   0.4478   17.160   0.5904   16.080   0.6734 1.082000 0.8955000 
1 1 1  -46   18   12 o   3.9030   1.1200   3.4370   1.4820   4.3700   1.6780 -0.9332000 2.239000 
1 1 1  -46   18   13 o   11.190   0.6466   11.630   0.8295   10.750   0.9922 0.8794000 1.293000 
1 1 1  -46   18   14 o   11.500   0.6448   11.410   0.8629   11.590   0.9585 -0.1812000 1.290000 
1 1 1  -46   18   15 o   8.0990   0.9414   8.2070   1.2200   7.9900   1.4340 0.2174000 1.883000 
1 1 1  -46   18   16 o   4.6250   1.2070   4.4670   1.6490   4.7830   1.7630 -0.3159000 2.413000 
1 1 1  -46   18   17 o   9.9200   0.8086   11.190   0.9032   8.6500   1.3410 2.540000 1.617000 
1 1 1  -46   18   18 o   13.180   0.5999   13.950   0.7870   12.410   0.9057 1.546000 1.200000 
1 1 1  -46   18   19 o   4.7160   1.2120   5.2030   1.7240   4.2280   1.7050 0.9748000 2.425000 
1 1 1  -46   18   20 o   3.7880   1.1790   3.9970   1.6960   3.5790   1.6400 0.4178000 2.359000 
1 1 1  -46   18   21 o   15.590   0.6224   16.620   0.7837   14.550   0.9670 2.067000 1.245000 
1 1 1  -46   18   22 o   14.780   0.6125   13.980   0.8359   15.580   0.8956 -1.603000 1.225000 
1 1 1  -46   18   23 o   5.6000   1.3380   4.5880   1.8590   6.6130   1.9240 -2.025000 2.675000 
1 1 1  -46   18   24 o   10.120   1.0190   10.660   1.3200   9.5820   1.5530 1.077000 2.038000 
1 1 1  -46   18   25 o   3.7930   1.1510   3.1680   1.4720   4.4190   1.7690 -1.251000 2.301000 
1 1 1  -46   18   26 o   5.0420   1.3630   5.4960   1.9610   4.5880   1.8930 0.9082000 2.725000 
1 1 1  -46   18   27 o   2.9510   0.9861   3.3520   1.5220   2.5500   1.2540 0.8017000 1.972000 
1 1 1  -46   18   28 o   2.2830   0.8247   2.1830   1.1180   2.3840   1.2130 -0.2007000 1.649000 
1 1 1  -46   20    1 o   9.0260   0.8229   8.9950   1.1160   9.0580   1.2100 -0.6308000E-01 1.646000 
1 1 1  -46   20    2 o   6.9120   1.0390   5.6660   1.6240   8.1570   1.2950 -2.491000 2.077000 
1 1 1  -46   20    3 o   4.5920   1.1580   5.3400   1.6450   3.8440   1.6320 1.495000 2.317000 
1 1 1  -46   20    4 o   8.1840   1.0430   9.4430   1.0740   6.9250   1.7880 2.518000 2.086000 
1 1 1  -46   20    5 o   15.250   0.5112   15.470   0.6828   15.030   0.7610 0.4470000 1.022000 
1 1 1  -46   20    6 o   20.160   0.4155   19.960   0.5706   20.370   0.6041 -0.4118000 0.8310000 
1 1 1  -46   20    7 o   7.0200   1.0750   7.5300   1.3750   6.5110   1.6540 1.019000 2.151000 
1 1 1  -46   20    8 o   3.7180   1.1160   3.3870   1.4930   4.0480   1.6600 -0.6611000 2.232000 
1 1 1  -46   20    9 o   14.740   0.5133   14.070   0.7104   15.400   0.7411 -1.322000 1.027000 
1 1 1  -46   20   10 o   4.4110   1.1730   4.7560   1.6570   4.0650   1.6610 0.6907000 2.346000 
1 1 1  -46   20   11 o   6.8010   1.1080   6.7480   1.4950   6.8540   1.6360 -0.1058000 2.216000 
1 1 1  -46   20   12 o   18.130   0.4486   18.630   0.5856   17.640   0.6798 0.9874000 0.8972000 
1 1 1  -46   20   13 o   6.4980   1.1110   8.0310   1.3270   4.9650   1.7820 3.066000 2.222000 
1 1 1  -46   20   14 o   8.4470   0.9706   6.7590   1.5760   10.130   1.1340 -3.375000 1.941000 
1 1 1  -46   20   15 o   8.7280   0.9551   9.6070   1.1340   7.8490   1.5370 1.757000 1.910000 
1 1 1  -46   20   16 o   4.7020   1.2130   5.2740   1.7220   4.1300   1.7070 1.145000 2.425000 
1 1 1  -46   20   17 o   3.0260   1.0060   2.8040   1.3420   3.2480   1.5000 -0.4435000 2.013000 
1 1 1  -46   20   18 o   4.2320   1.2920   3.3620   1.5580   5.1020   2.0620 -1.740000 2.584000 
1 1 1  -46   20   19 o   4.7220   1.3710   4.5940   1.9740   4.8490   1.9030 -0.2547000 2.742000 
1 1 1  -46   20   20 o   5.5780   1.3480   6.3700   1.9400   4.7860   1.8720 1.584000 2.695000 
1 1 1  -46   20   21 f   8.8300   1.1350   7.8200   1.7820   9.8400   1.4080 -2.020000 2.271000 
1 1 1  -46   20   22 o   3.5000   1.1120   3.4270   1.5580   3.5730   1.5870 -0.1464000 2.224000 
1 1 1  -46   20   23 o   3.6720   1.1400   3.4440   1.5540   3.9000   1.6670 -0.4554000 2.279000 
1 1 1  -46   20   24 f   3.2760   1.0970   2.8140   1.3840   3.7370   1.7030 -0.9238000 2.194000 
1 1 1  -46   20   25 o   2.6400   0.9292   2.8990   1.4180   2.3800   1.2010 0.5189000 1.858000 
1 1 1  -46   20   26 o   3.0130   1.0190   3.4170   1.5900   2.6080   1.2750 0.8087000 2.038000 
1 1 1  -46   22    1 o   5.1620   1.2410   4.6530   1.7250   5.6700   1.7850 -1.017000 2.482000 
1 1 1  -46   22    2 o   10.740   0.7474   11.510   0.9582   9.9750   1.1470 1.535000 1.495000 
1 1 1  -46   22    3 o   4.4630   1.2190   4.9430   1.7480   3.9840   1.6990 0.9591000 2.438000 
1 1 1  -46   22    4 o   3.9410   1.1550   4.6140   1.7140   3.2690   1.5500 1.345000 2.311000 
1 1 1  -46   22    5 o   4.5970   1.2140   5.1280   1.7260   4.0660   1.7060 1.062000 2.427000 
1 1 1  -46   22    6 f   3.9700   1.1440   4.7220   1.7310   3.2190   1.4970 1.503000 2.289000 
1 1 1  -46   22    7 o   7.8160   1.0430   8.3620   1.3190   7.2710   1.6160 1.090000 2.086000 
1 1 1  -46   22    8 o   5.5210   1.2210   4.5490   1.7090   6.4930   1.7440 -1.944000 2.441000 
1 1 1  -46   22    9 o   4.9420   1.2220   4.3810   1.6890   5.5030   1.7670 -1.123000 2.445000 
1 1 1  -46   22   10 o   8.4790   0.9630   7.7950   1.4330   9.1630   1.2860 -1.368000 1.926000 
1 1 1  -46   22   11 o   14.860   0.5596   15.990   0.7191   13.730   0.8575 2.261000 1.119000 
1 1 1  -46   22   12 o   5.6470   1.2410   5.2350   1.7640   6.0590   1.7470 -0.8237000 2.483000 
1 1 1  -46   22   13 o   11.870   0.6848   12.630   0.8974   11.110   1.0350 1.520000 1.370000 
1 1 1  -46   22   14 o   11.330   0.7359   11.100   1.0620   11.560   1.0190 -0.4681000 1.472000 
1 1 1  -46   22   15 o   7.7680   1.4970   6.9480   2.1520   8.5890   2.0820 -1.641000 2.994000 
1 1 1  -46   22   16 o   11.180   1.1590   12.230   1.4650   10.130   1.7960 2.095000 2.318000 
1 1 1  -46   22   17 o   4.7410   1.3910   5.3730   2.1350   4.1100   1.7840 1.263000 2.782000 
1 1 1  -46   22   18 o   12.200   0.7731   11.400   1.0570   13.010   1.1290 -1.616000 1.546000 
1 1 1  -46   22   19 o   4.7880   1.2010   6.0610   1.8060   3.5150   1.5840 2.546000 2.402000 
1 1 1  -46   22   20 o   4.5850   1.0900   2.7430   1.3310   6.4270   1.7270 -3.684000 2.180000 
1 1 1  -46   22   21 o   4.0620   1.1300   2.9300   1.3930   5.1940   1.7800 -2.264000 2.260000 
1 1 1  -46   22   22 o   2.9080   0.9965   2.3550   1.1740   3.4610   1.6100 -1.106000 1.993000 
1 1 1  -46   22   23 o   2.2450   0.8060   2.2460   1.1400   2.2440   1.1400 0.2093000E-02 1.612000 
1 1 1  -46   22   24 o   2.1270   1.1030   2.1270   1.1030  ?   ?       ?      ? 
1 1 1  -46   24    1 f   3.7370   1.2700   3.2520   1.5880   4.2230   1.9820 -0.9708000 2.540000 
1 1 1  -46   24    2 f   4.4170   1.4130   3.8260   1.7930   5.0080   2.1840 -1.182000 2.826000 
1 1 1  -46   24    3 o   6.1370   1.5140   7.6050   2.1910   4.6680   2.0900 2.937000 3.027000 
1 1 1  -46   24    4 o   3.4010   1.5790   3.4010   1.5790  ?   ?       ?      ? 
1 1 1  -46   24    5 f   3.3950   1.1440   3.5200   1.6080   3.2700   1.6260 0.2503000 2.287000 
1 1 1  -46   24    6 o   12.060   0.9637   13.300   1.0040   10.810   1.6450 2.491000 1.927000 
1 1 1  -46   24    7 o   13.630   0.8395   14.800   0.8764   12.450   1.4320 2.349000 1.679000 
1 1 1  -46   24    8 o   6.0740   1.3120   3.7110   1.6440   8.4370   2.0460 -4.726000 2.624000 
1 1 1  -46   24    9 o   4.3770   1.3770   3.9910   1.8500   4.7630   2.0390 -0.7723000 2.754000 
1 1 1  -46   24   10 o   3.9520   1.2940   3.6530   1.7350   4.2520   1.9210 -0.5988000 2.589000 
1 1 1  -46   24   11 o   6.0630   1.3990   7.3810   1.8690   4.7450   2.0820 2.636000 2.798000 
1 1 1  -46   24   12 o   8.8600   1.1910   9.3790   1.5090   8.3410   1.8420 1.038000 2.382000 
1 1 1  -46   24   13 o   9.0430   1.1800   11.010   1.2750   7.0740   1.9850 3.939000 2.359000 
1 1 1  -46   24   14 o   11.610   0.7623   11.910   0.9841   11.310   1.1640 0.5984000 1.525000 
1 1 1  -46   24   15 o   6.1140   1.2580   5.7460   1.8110   6.4820   1.7460 -0.7362000 2.515000 
1 1 1  -46   24   16 o   4.4590   1.2080   3.6290   1.6010   5.2900   1.8100 -1.661000 2.416000 
1 1 1  -46   24   17 o   3.0540   1.0180   3.1920   1.4830   2.9160   1.3940 0.2761000 2.036000 
1 1 1  -46   24   18 o   5.4240   1.2690   5.0360   1.7940   5.8120   1.7960 -0.7768000 2.539000 
1 1 1  -46   24   19 f   5.3220   1.2490   5.9470   1.7550   4.6960   1.7770 1.252000 2.498000 
1 1 1  -46   24   20 o   4.7300   1.3840   5.1690   2.0250   4.2910   1.8880 0.8781000 2.768000 
1 1 1  -46   24   21 o   2.3980   0.8744   2.5340   1.3010   2.2610   1.1690 0.2730000 1.749000 
1 1 1  -46   26    1 o   3.2020   1.0610   3.2270   1.5000   3.1770   1.5020 0.4933000E-01 2.123000 
1 1 1  -46   26    2 o   3.5600   1.1320   3.4130   1.5460   3.7070   1.6530 -0.2939000 2.264000 
1 1 1  -46   26    3 o   7.8740   1.2280   9.2140   1.2860   6.5330   2.0910 2.680000 2.455000 
1 1 1  -46   26    4 o   8.2270   1.3330   10.140   1.1690   6.3160   2.3960 3.822000 2.666000 
1 1 1  -46   26    5 o   5.4490   1.3820   5.0850   1.8000   5.8140   2.0980 -0.7287000 2.764000 
1 1 1  -46   26    6 o   3.8910   1.1670   4.7340   1.7920   3.0470   1.4960 1.686000 2.335000 
1 1 1  -46   26    7 o   7.1800   1.1800   9.5660   1.2590   4.7930   1.9970 4.773000 2.360000 
1 1 1  -46   26    8 o   3.4860   1.1450   3.2350   1.4980   3.7360   1.7310 -0.5015000 2.289000 
1 1 1  -46   26    9 o   4.9550   1.2980   3.5820   1.5840   6.3280   2.0560 -2.745000 2.595000 
1 1 1  -46   26   10 o   6.7430   1.2240   7.8780   1.5220   5.6070   1.9180 2.272000 2.448000 
1 1 1  -46   26   11 f   5.8350   1.2550   6.5090   1.7240   5.1600   1.8240 1.349000 2.510000 
1 1 1  -46   26   12 o   2.7250   0.9328   2.6490   1.2900   2.8010   1.3480 -0.1521000 1.866000 
1 1 1  -46   26   13 o   6.0710   1.2380   5.6610   1.7800   6.4820   1.7220 -0.8204000 2.477000 
1 1 1  -46   26   14 o   3.1110   1.0210   2.6710   1.3010   3.5520   1.5750 -0.8816000 2.043000 
1 1 1  -46   26   15 o   3.3960   1.0970   3.8530   1.6820   2.9380   1.4100 0.9145000 2.195000 
1 1 1  -46   26   16 o   3.0620   1.0290   3.0350   1.4470   3.0900   1.4630 -0.5521000E-01 2.057000 
1 1 1  -46   26   17 o   2.1290   0.7708   2.1300   1.0900   2.1290   1.0900 0.1611000E-02 1.542000 
1 1 1  -46   28    1 o   3.1940   1.1030   2.9970   1.4800   3.3920   1.6360 -0.3948000 2.206000 
1 1 1  -46   28    2 o   5.5130   1.3260   6.3010   1.8920   4.7250   1.8580 1.576000 2.652000 
1 1 1  -46   28    3 o   8.2110   1.1710   9.6510   1.3760   6.7710   1.8960 2.880000 2.343000 
1 1 1  -46   28    4 o   4.2770   1.2700   4.2700   1.7850   4.2850   1.8060 -0.1453000E-01 2.539000 
1 1 1  -46   28    5 o   6.6890   1.1690   9.0530   1.4790   4.3240   1.8110 4.729000 2.338000 
1 1 1  -46   28    6 o   6.1220   1.3020   7.2700   1.8000   4.9750   1.8810 2.295000 2.604000 
1 1 1  -46   28    7 f   3.5380   1.1320   4.1570   1.7680   2.9200   1.4130 1.237000 2.264000 
1 1 1  -46   28    8 o   2.7370   0.9543   2.8860   1.3990   2.5880   1.2980 0.2975000 1.909000 
1 1 1  -46   28    9 o   2.9080   0.9952   3.2860   1.5320   2.5300   1.2710 0.7560000 1.990000 
1 1 1  -46   28   10 o   2.8170   0.9744   2.8590   1.3830   2.7760   1.3730 0.8322000E-01 1.949000 
1 1 1  -46   28   11 o   2.7080   0.9448   2.7780   1.3510   2.6380   1.3220 0.1399000 1.890000 
1 1 1  -45    1    1 o   13.320   0.5895   13.050   0.9778   13.600   0.6587 -0.5484000 1.179000 
1 1 1  -45    1    2 o   38.430   0.3843   38.070   0.5851   38.800   0.4983 -0.7306000 0.7686000 
1 1 1  -45    1    3 o   17.010   0.5941   16.540   1.0210   17.480   0.6078 -0.9376000 1.188000 
1 1 1  -45    1    4 o   8.4710   1.1180   9.1420   1.7700   7.8000   1.3650 1.341000 2.236000 
1 1 1  -45    1    5 o   21.530   0.3689   21.300   0.5170   21.750   0.5265 -0.4426000 0.7379000 
1 1 1  -45    1    6 f   37.110   0.3394   37.150   0.4793   37.070   0.4807 0.7713000E-01 0.6789000 
1 1 1  -45    1    7 o   34.680   0.3659   34.740   0.5715   34.620   0.4571 0.1241000 0.7318000 
1 1 1  -45    1    8 o   13.870   0.4147   13.510   0.6622   14.230   0.4993 -0.7200000 0.8294000 
1 1 1  -45    1    9 o   35.110   0.2719   35.690   0.3877   34.540   0.3815 1.144000 0.5439000 
1 1 1  -45    1   10 o   24.660   0.2648   24.680   0.3762   24.640   0.3727 0.4786000E-01 0.5296000 
1 1 1  -45    1   11 o   25.260   0.2665   25.220   0.3803   25.300   0.3735 -0.8464000E-01 0.5330000 
1 1 1  -45    1   12 o   21.280   0.3519   22.120   0.4454   20.430   0.5449 1.687000 0.7038000 
1 1 1  -45    1   13 o   11.040   0.5197   11.060   0.7579   11.020   0.7111 0.4688000E-01 1.039000 
1 1 1  -45    1   14 o   23.010   0.3222   22.560   0.4765   23.460   0.4337 -0.8940000 0.6444000 
1 1 1  -45    1   15 o   29.700   0.2703   29.830   0.3882   29.580   0.3763 0.2458000 0.5406000 
1 1 1  -45    1   16 o   37.340   0.2873   37.150   0.4074   37.540   0.4051 -0.3867000 0.5745000 
1 1 1  -45    1   17 f   21.350   0.2897   20.990   0.4115   21.710   0.4079 -0.7223000 0.5794000 
1 1 1  -45    1   18 f   27.270   0.2741   27.210   0.3852   27.330   0.3900 -0.1157000 0.5482000 
1 1 1  -45    1   19 o   12.390   0.4325   12.390   0.6098   12.380   0.6134 0.6991000E-02 0.8650000 
1 1 1  -45    1   20 o   8.2610   0.6466   8.8440   0.8324   7.6780   0.9896 1.165000 1.293000 
1 1 1  -45    1   21 o   15.730   0.3662   15.450   0.5236   16.020   0.5121 -0.5723000 0.7324000 
1 1 1  -45    1   22 o   14.990   0.4362   15.290   0.6354   14.690   0.5977 0.6043000 0.8723000 
1 1 1  -45    1   23 o   7.2050   0.9883   7.7890   1.1230   6.6210   1.6270 1.168000 1.977000 
1 1 1  -45    1   24 o   6.3430   0.9360   5.0770   1.4900   7.6090   1.1330 -2.532000 1.872000 
1 1 1  -45    1   25 o   13.050   0.4789   13.110   0.6679   12.980   0.6866 0.1259000 0.9579000 
1 1 1  -45    1   26 o   9.9910   0.6481   10.770   0.8486   9.2110   0.9798 1.560000 1.296000 
1 1 1  -45    1   27 o   29.570   0.3712   30.280   0.5204   28.860   0.5296 1.418000 0.7425000 
1 1 1  -45    1   28 o   5.0320   1.2680   4.7690   1.8040   5.2950   1.7840 -0.5262000 2.537000 
1 1 1  -45    1   29 o   3.5910   1.0860   4.0440   1.6320   3.1380   1.4330 0.9069000 2.171000 
1 1 1  -45    1   30 o   7.5400   1.0340   7.8010   1.4090   7.2780   1.5130 0.5232000 2.068000 
1 1 1  -45    1   31 o   4.5490   1.2050   5.3150   1.7650   3.7820   1.6420 1.532000 2.410000 
1 1 1  -45    1   32 o   3.1080   1.0280   3.3650   1.5350   2.8510   1.3670 0.5144000 2.055000 
1 1 1  -45    1   33 o   3.0870   1.0170   2.4790   1.2260   3.6940   1.6220 -1.215000 2.033000 
1 1 1  -45    1   34 o   3.8590   1.1580   3.5160   1.5710   4.2010   1.7020 -0.6848000 2.316000 
1 1 1  -45    3    1 o   51.440   0.4974   51.440   0.7012   51.440   0.7056 -0.1255000E-02 0.9948000 
1 1 1  -45    3    2 o   8.6240   0.9428   8.6240   0.9428  ?   ?       ?      ? 
1 1 1  -45    3    3 o   15.550   0.5172   15.550   0.5172  ?   ?       ?      ? 
1 1 1  -45    3    4 o   51.140   0.7289   49.040   0.9928   53.230   1.0680 -4.187000 1.458000 
1 1 1  -45    3    5 o   27.310   0.9474  ?   ?    27.310   0.9474      ?      ? 
1 1 1  -45    3    6 o   39.880   0.8953  ?   ?    39.880   0.8953      ?      ? 
1 1 1  -45    3    7 o   33.350   0.8465  ?   ?    33.350   0.8465      ?      ? 
1 1 1  -45    3    8 o   23.570   0.2998   23.140   0.4327   24.010   0.4151 -0.8646000 0.5996000 
1 1 1  -45    3    9 o   9.7280   0.7032   8.0070   1.1010   11.450   0.8745 -3.441000 1.406000 
1 1 1  -45    3   10 o   31.800   0.4463   32.560   0.7160   31.040   0.5331 1.516000 0.8927000 
1 1 1  -45    3   11 o   26.370   0.2719   26.770   0.3998   25.970   0.3686 0.7996000 0.5437000 
1 1 1  -45    3   12 o   38.330   0.2910   38.420   0.4182   38.240   0.4046 0.1872000 0.5819000 
1 1 1  -45    3   13 o   4.9180   0.9608   5.9430   1.3020   3.8920   1.4130 2.052000 1.922000 
1 1 1  -45    3   14 o   39.750   0.2976   39.840   0.4261   39.650   0.4156 0.1823000 0.5952000 
1 1 1  -45    3   15 o   12.870   0.5099   12.560   0.7814   13.180   0.6554 -0.6196000 1.020000 
1 1 1  -45    3   16 o   20.210   0.2991   19.750   0.4319   20.670   0.4138 -0.9170000 0.5982000 
1 1 1  -45    3   17 o   9.8060   0.5377   9.8840   0.7651   9.7270   0.7556 0.1570000 1.075000 
1 1 1  -45    3   18 o   17.070   0.3339   17.030   0.4753   17.120   0.4690 -0.8367000E-01 0.6677000 
1 1 1  -45    3   19 o   7.7090   0.6941   7.9670   0.9387   7.4520   1.0230 0.5155000 1.388000 
1 1 1  -45    3   20 o   15.240   0.3739   15.470   0.5187   15.000   0.5387 0.4708000 0.7479000 
1 1 1  -45    3   21 o   23.810   0.3400   23.900   0.4998   23.720   0.4610 0.1825000 0.6799000 
1 1 1  -45    3   22 o   9.2970   0.6076   9.7910   0.8140   8.8040   0.9022 0.9877000 1.215000 
1 1 1  -45    3   23 o   6.7760   0.9419   7.1950   1.1490   6.3570   1.4920 0.8383000 1.884000 
1 1 1  -45    3   24 o   13.480   0.5139   12.950   0.7279   14.010   0.7257 -1.059000 1.028000 
1 1 1  -45    3   25 o   8.9620   0.7183   8.3700   1.0810   9.5540   0.9460 -1.183000 1.437000 
1 1 1  -45    3   26 o   21.340   0.4102   21.800   0.5661   20.890   0.5939 0.9039000 0.8205000 
1 1 1  -45    3   27 o   6.5480   1.1390   7.4570   1.4510   5.6380   1.7570 1.820000 2.279000 
1 1 1  -45    3   28 o   4.1570   1.1600   3.0220   1.4390   5.2920   1.8190 -2.270000 2.320000 
1 1 1  -45    3   29 o   24.910   0.3597   25.470   0.4968   24.350   0.5204 1.124000 0.7194000 
1 1 1  -45    3   30 o   7.2020   1.0860   6.2610   1.6700   8.1440   1.3880 -1.883000 2.172000 
1 1 1  -45    3   31 o   12.970   0.6535   12.400   0.9368   13.530   0.9115 -1.130000 1.307000 
1 1 1  -45    3   32 o   2.8680   0.9693   3.2280   1.4870   2.5090   1.2430 0.7191000 1.939000 
1 1 1  -45    3   33 o   6.4270   1.2030   5.3280   1.7770   7.5260   1.6230 -2.198000 2.407000 
1 1 1  -45    3   34 o   2.9710   1.0080   3.0350   1.4430   2.9080   1.4090 0.1266000 2.016000 
1 1 1  -45    5    1 o   48.000   0.3591   47.460   0.5304   48.530   0.4842 -1.073000 0.7182000 
1 1 1  -45    5    2 o   16.320   0.7479   16.480   0.9496   16.170   1.1560 0.3081000 1.496000 
1 1 1  -45    5    3 o   43.490   0.4892   44.140   0.6786   42.840   0.7048 1.302000 0.9784000 
1 1 1  -45    5    4 o   46.520   0.5019   47.090   0.6983   45.950   0.7212 1.140000 1.004000 
1 1 1  -45    5    5 o   19.490   0.7470   19.600   0.8168   19.370   1.2510 0.2322000 1.494000 
1 1 1  -45    5    6 o   5.5540   1.2860   3.6320   1.6810   7.4760   1.9460 -3.844000 2.572000 
1 1 1  -45    5    7 o   20.000   0.5449   20.620   0.7509   19.380   0.7899 1.240000 1.090000 
1 1 1  -45    5    8 o   30.960   0.4419   31.210   0.6232   30.710   0.6268 0.4967000 0.8839000 
1 1 1  -45    5    9 o   44.610   0.4726   43.530   0.6615   45.690   0.6752 -2.164000 0.9452000 
1 1 1  -45    5   10 o   19.080   0.3026   18.810   0.4581   19.350   0.3955 -0.5330000 0.6052000 
1 1 1  -45    5   11 o   5.7060   1.0810   4.5970   1.7370   6.8150   1.2880 -2.218000 2.162000 
1 1 1  -45    5   12 o   25.520   0.3144   25.550   0.5054   25.490   0.3741 0.5901000E-01 0.6288000 
1 1 1  -45    5   13 o   27.770   0.3824  ?   ?    27.770   0.3824      ?      ? 
1 1 1  -45    5   14 o   30.150   0.3277   30.250   0.5285   30.060   0.3876 0.1870000 0.6554000 
1 1 1  -45    5   15 f   10.670   0.6536   10.600   0.9491   10.740   0.8988 -0.1381000 1.307000 
1 1 1  -45    5   16 o   21.680   0.3629   21.640   0.5302   21.720   0.4958 -0.7697000E-01 0.7259000 
1 1 1  -45    5   17 o   10.460   0.5158   10.740   0.7099   10.180   0.7484 0.5560000 1.032000 
1 1 1  -45    5   18 o   7.9290   0.6799   7.9480   0.9524   7.9090   0.9705 0.3868000E-01 1.360000 
1 1 1  -45    5   19 o   19.160   0.3697   19.380   0.5364   18.930   0.5090 0.4527000 0.7395000 
1 1 1  -45    5   20 o   8.9140   0.7356   8.3000   1.1370   9.5290   0.9339 -1.229000 1.471000 
1 1 1  -45    5   21 o   6.3830   0.8793   6.0100   1.2910   6.7550   1.1940 -0.7449000 1.759000 
1 1 1  -45    5   22 o   23.420   0.3023   23.490   0.4273   23.350   0.4277 0.1379000 0.6046000 
1 1 1  -45    5   23 o   6.7770   0.8848   7.2750   1.1500   6.2790   1.3450 0.9963000 1.770000 
1 1 1  -45    5   24 o   9.7940   0.6855   10.040   0.8983   9.5460   1.0360 0.4971000 1.371000 
1 1 1  -45    5   25 o   22.380   0.3799   22.200   0.5317   22.560   0.5427 -0.3590000 0.7598000 
1 1 1  -45    5   26 o   7.3760   1.0370   6.1300   1.6210   8.6210   1.2930 -2.491000 2.074000 
1 1 1  -45    5   27 o   16.390   0.4376   16.330   0.6134   16.460   0.6243 -0.1322000 0.8752000 
1 1 1  -45    5   28 o   13.160   0.6770   12.550   1.0150   13.770   0.8962 -1.220000 1.354000 
1 1 1  -45    5   29 o   3.3800   1.1050   3.2110   1.5080   3.5490   1.6160 -0.3385000 2.210000 
1 1 1  -45    5   30 o   3.6550   1.1230   3.6710   1.5820   3.6400   1.5940 0.3124000E-01 2.246000 
1 1 1  -45    5   31 o   3.1830   1.0380   2.7810   1.3330   3.5860   1.5920 -0.8051000 2.076000 
1 1 1  -45    5   32 o   4.6120   1.1520   5.8870   1.7270   3.3360   1.5260 2.551000 2.305000 
1 1 1  -45    5   33 o   2.7410   0.9371   2.5000   1.2310   2.9830   1.4130 -0.4832000 1.874000 
1 1 1  -45    5   34 o   2.6290   0.9164   2.8460   1.3780   2.4130   1.2080 0.4329000 1.833000 
1 1 1  -45    7    1 o   26.430   0.2774   26.810   0.3864   26.050   0.3980 0.7519000 0.5547000 
1 1 1  -45    7    2 o   18.890   0.6899   18.870   0.9033   18.920   1.0430 -0.4849000E-01 1.380000 
1 1 1  -45    7    3 o   24.750   0.5474   24.430   0.7305   25.080   0.8153 -0.6575000 1.095000 
1 1 1  -45    7    4 o   22.270   0.5885   21.480   0.7907   23.060   0.8720 -1.584000 1.177000 
1 1 1  -45    7    5 o   17.590   0.6610   17.650   0.9139   17.540   0.9553 0.1140000 1.322000 
1 1 1  -45    7    6 o   6.5460   1.4500   7.2140   2.0080   5.8790   2.0930 1.335000 2.900000 
1 1 1  -45    7    7 o   4.1550   1.2670   5.0490   1.9870   3.2620   1.5730 1.787000 2.534000 
1 1 1  -45    7    8 o   19.480   0.5813   19.930   0.7971   19.040   0.8462 0.8907000 1.163000 
1 1 1  -45    7    9 o   37.280   0.4563   37.100   0.6403   37.460   0.6503 -0.3639000 0.9127000 
1 1 1  -45    7   10 o   21.820   0.2611   21.790   0.3760   21.850   0.3625 -0.5464000E-01 0.5222000 
1 1 1  -45    7   11 o   4.5550   0.9468   3.1200   1.3360   5.9900   1.3420 -2.871000 1.894000 
1 1 1  -45    7   12 o   15.700   0.3439   15.790   0.4943   15.600   0.4783 0.1854000 0.6879000 
1 1 1  -45    7   13 o   11.120   0.4737   10.970   0.6851   11.270   0.6543 -0.2995000 0.9473000 
1 1 1  -45    7   14 o   32.510   0.2832   32.670   0.4067   32.350   0.3943 0.3295000 0.5665000 
1 1 1  -45    7   15 o   19.810   0.3291   20.060   0.4887   19.560   0.4410 0.4934000 0.6583000 
1 1 1  -45    7   16 o   10.270   1.1550   10.420   2.0930   10.130   0.9794 0.2874000 2.311000 
1 1 1  -45    7   17 o   14.510   0.4857   15.100   0.7145   13.920   0.6580 1.182000 0.9714000 
1 1 1  -45    7   18 o   7.5860   0.9115   7.2630   1.4180   7.9100   1.1460 -0.6469000 1.823000 
1 1 1  -45    7   19 o   14.390   0.4782   14.260   0.7624   14.510   0.5773 -0.2467000 0.9563000 
1 1 1  -45    7   20 o   5.7370   0.9973   7.2080   1.3210   4.2660   1.4940 2.942000 1.995000 
1 1 1  -45    7   21 f   18.170   0.3504   18.510   0.4906   17.830   0.5005 0.6812000 0.7009000 
1 1 1  -45    7   22 o   13.260   0.4605   12.830   0.6658   13.690   0.6363 -0.8626000 0.9210000 
1 1 1  -45    7   23 o   12.830   0.4834   13.460   0.6433   12.200   0.7216 1.261000 0.9667000 
1 1 1  -45    7   24 o   12.880   0.6639   14.030   0.7505   11.730   1.0950 2.300000 1.328000 
1 1 1  -45    7   25 o   24.840   0.3242   25.030   0.4537   24.650   0.4633 0.3777000 0.6485000 
1 1 1  -45    7   26 o   18.540   0.3981   18.730   0.5453   18.350   0.5802 0.3743000 0.7962000 
1 1 1  -45    7   27 o   19.360   0.4047   18.920   0.5742   19.800   0.5704 -0.8776000 0.8093000 
1 1 1  -45    7   28 o   14.380   0.5404   14.010   0.7674   14.740   0.7610 -0.7246000 1.081000 
1 1 1  -45    7   29 o   20.030   0.5085   19.620   0.7304   20.430   0.7077 -0.8094000 1.017000 
1 1 1  -45    7   30 o   12.010   0.6778   11.830   0.9188   12.190   0.9968 -0.3649000 1.356000 
1 1 1  -45    7   31 o   5.1500   1.2560   4.9730   1.7480   5.3270   1.8030 -0.3544000 2.512000 
1 1 1  -45    7   32 o   11.270   0.7126   11.090   0.9943   11.440   1.0210 -0.3529000 1.425000 
1 1 1  -45    7   33 o   5.1290   1.2780   4.0920   1.7500   6.1650   1.8640 -2.073000 2.557000 
1 1 1  -45    7   34 o   2.1180   1.0980   2.1180   1.0980  ?   ?       ?      ? 
1 1 1  -45    9    1 o   15.010   0.5214   14.140   0.7882   15.890   0.6828 -1.753000 1.043000 
1 1 1  -45    9    2 o   32.760   0.2785   32.800   0.3888   32.730   0.3987 0.7271000E-01 0.5569000 
1 1 1  -45    9    3 o   22.750   0.5992   22.840   0.7768   22.660   0.9124 0.1807000 1.198000 
1 1 1  -45    9    4 o   9.5170   1.4990   8.0920   1.9490   10.940   2.2790 -2.850000 2.998000 
1 1 1  -45    9    5 o   8.0540   1.3720   8.1350   1.8820   7.9730   1.9970 0.1622000 2.744000 
1 1 1  -45    9    6 o   15.460   0.7366   15.440   1.0170   15.470   1.0660 -0.3594000E-01 1.473000 
1 1 1  -45    9    7 o   27.280   0.4889   27.680   0.6708   26.880   0.7115 0.8024000 0.9779000 
1 1 1  -45    9    8 o   11.190   0.9702   10.590   1.4260   11.790   1.3160 -1.196000 1.940000 
1 1 1  -45    9    9 o   3.5990   1.1140   5.1860   2.0000   2.0120   0.9803 3.174000 2.227000 
1 1 1  -45    9   10 o   46.200   0.3536   46.240   0.4586   46.160   0.5384 0.8068000E-01 0.7072000 
1 1 1  -45    9   11 o   30.070   0.3205   29.630   0.4487   30.510   0.4577 -0.8830000 0.6410000 
1 1 1  -45    9   12 o   3.5000   0.9776   3.3590   1.3510   3.6410   1.4130 -0.2822000 1.955000 
1 1 1  -45    9   13 o   27.500   0.2811   27.210   0.3966   27.790   0.3985 -0.5753000 0.5622000 
1 1 1  -45    9   14 o   13.830   0.4649   13.330   0.6698   14.330   0.6448 -0.9951000 0.9297000 
1 1 1  -45    9   15 o   16.650   0.6384   17.460   0.9288   15.840   0.8762 1.624000 1.277000 
1 1 1  -45    9   16 o   46.810   0.4989   46.540   0.7208   47.080   0.6900 -0.5374000 0.9978000 
1 1 1  -45    9   17 o   12.430   0.4650   11.330   0.6932   13.530   0.6201 -2.205000 0.9300000 
1 1 1  -45    9   18 o   8.6680   0.6822   7.7640   1.0440   9.5720   0.8788 -1.808000 1.364000 
1 1 1  -45    9   19 o   28.660   0.3115   28.830   0.4656   28.480   0.4139 0.3479000 0.6229000 
1 1 1  -45    9   20 o   5.6380   1.1480   5.9810   1.7380   5.2960   1.5000 0.6853000 2.296000 
1 1 1  -45    9   21 o   30.220   0.3663   30.000   0.6003   30.440   0.4200 -0.4451000 0.7326000 
1 1 1  -45    9   22 o   3.5160   1.1000   3.4750   1.5700   3.5570   1.5410 -0.8124000E-01 2.200000 
1 1 1  -45    9   23 o   10.390   0.8089   10.110   1.2670   10.670   1.0050 -0.5608000 1.618000 
1 1 1  -45    9   24 o   4.2160   1.1500   3.6120   1.5340   4.8200   1.7120 -1.208000 2.299000 
1 1 1  -45    9   25 o   10.700   0.6455   10.080   0.9479   11.320   0.8765 -1.238000 1.291000 
1 1 1  -45    9   26 o   3.9320   1.0920   3.0760   1.3960   4.7880   1.6800 -1.712000 2.185000 
1 1 1  -45    9   27 o   14.810   0.5102   14.090   0.7277   15.530   0.7152 -1.435000 1.020000 
1 1 1  -45    9   28 f   8.9440   1.0740   8.8030   1.5030   9.0850   1.5340 -0.2815000 2.147000 
1 1 1  -45    9   29 o   5.6220   1.4300   4.7430   1.8590   6.5020   2.1730 -1.760000 2.860000 
1 1 1  -45    9   30 o   3.9870   1.1390   2.9490   1.3920   5.0260   1.8030 -2.076000 2.278000 
1 1 1  -45    9   31 o   3.6510   1.1510   3.2530   1.5630   4.0480   1.6910 -0.7948000 2.303000 
1 1 1  -45    9   32 o   2.8610   0.9831   2.8910   1.3980   2.8310   1.3830 0.5964000E-01 1.966000 
1 1 1  -45    9   33 o   3.5250   1.0990   3.2750   1.4910   3.7760   1.6140 -0.5011000 2.198000 
1 1 1  -45   11    1 o   6.5110   1.0040   7.6580   1.0300   5.3650   1.7230 2.293000 2.008000 
1 1 1  -45   11    2 o   27.600   0.4020   28.060   0.6054   27.140   0.5291 0.9191000 0.8040000 
1 1 1  -45   11    3 f   28.420   0.3567   28.160   0.4940   28.690   0.5146 -0.5306000 0.7134000 
1 1 1  -45   11    4 o   17.350   0.2853   18.170   0.3763   16.540   0.4289 1.628000 0.5706000 
1 1 1  -45   11    5 o   20.140   0.2591   20.630   0.3477   19.650   0.3844 0.9859000 0.5183000 
1 1 1  -45   11    6 o   21.050   0.2535   21.010   0.3424   21.090   0.3740 -0.8134000E-01 0.5070000 
1 1 1  -45   11    7 o   23.930   0.2538   23.780   0.3456   24.080   0.3718 -0.2914000 0.5076000 
1 1 1  -45   11    8 o   19.020   0.3314   19.170   0.3862   18.860   0.5388 0.3153000 0.6629000 
1 1 1  -45   11    9 o   5.1250   1.0290   3.3530   1.4040   6.8970   1.5050 -3.544000 2.058000 
1 1 1  -45   11   10 o   2.8420   0.9196   2.9940   1.3470   2.6910   1.2530 0.3026000 1.839000 
1 1 1  -45   11   11 o   19.330   0.3464   18.650   0.4702   20.020   0.5088 -1.370000 0.6928000 
1 1 1  -45   11   12 o   24.300   0.3209   24.520   0.4351   24.070   0.4719 0.4505000 0.6418000 
1 1 1  -45   11   13 o   33.870   0.2963   33.910   0.4184   33.830   0.4197 0.8081000E-01 0.5927000 
1 1 1  -45   11   14 o   10.340   0.5730   10.060   0.8047   10.630   0.8160 -0.5783000 1.146000 
1 1 1  -45   11   15 o   17.010   0.4899   17.200   0.6919   16.830   0.6937 0.3710000 0.9798000 
1 1 1  -45   11   16 o   23.450   0.3114   23.500   0.4372   23.390   0.4436 0.1152000 0.6228000 
1 1 1  -45   11   17 o   13.070   0.4586   12.330   0.6536   13.820   0.6435 -1.491000 0.9172000 
1 1 1  -45   11   18 o   13.700   0.4553   14.300   0.5935   13.100   0.6908 1.201000 0.9107000 
1 1 1  -45   11   19 o   28.980   0.3037   28.860   0.4270   29.090   0.4319 -0.2250000 0.6074000 
1 1 1  -45   11   20 o   19.660   0.3942   19.830   0.5368   19.480   0.5773 0.3477000 0.7883000 
1 1 1  -45   11   21 o   3.0990   0.9907   3.2540   1.4220   2.9430   1.3800 0.3114000 1.981000 
1 1 1  -45   11   22 o   13.720   0.4756   13.990   0.6493   13.450   0.6950 0.5490000 0.9511000 
1 1 1  -45   11   23 o   20.960   0.4089   20.750   0.5781   21.170   0.5785 -0.4244000 0.8178000 
1 1 1  -45   11   24 o   8.3900   1.1630   7.7950   1.9490   8.9850   1.2700 -1.189000 2.326000 
1 1 1  -45   11   25 o   5.9720   1.1720   4.3040   1.8310   7.6390   1.4610 -3.335000 2.343000 
1 1 1  -45   11   26 o   15.710   0.6293   14.780   1.0460   16.630   0.7002 -1.853000 1.259000 
1 1 1  -45   11   27 o   7.2120   1.1980   8.2190   1.6320   6.2050   1.7550 2.014000 2.396000 
1 1 1  -45   11   28 o   6.8970   1.3250   6.6480   1.8670   7.1460   1.8800 -0.4975000 2.650000 
1 1 1  -45   11   29 o   3.4210   1.0770   4.0180   1.6690   2.8230   1.3610 1.195000 2.154000 
1 1 1  -45   11   30 o   3.5560   1.1320   2.7650   1.3580   4.3470   1.8110 -1.581000 2.264000 
1 1 1  -45   11   31 o   3.0200   1.0190   2.3840   1.1840   3.6560   1.6580 -1.272000 2.037000 
1 1 1  -45   11   32 o   2.2930   0.8116   2.1530   1.0870   2.4320   1.2060 -0.2788000 1.623000 
1 1 1  -45   13    1 o   10.390   0.5521   9.9130   0.7967   10.860   0.7646 -0.9504000 1.104000 
1 1 1  -45   13    2 o   11.120   0.4971   11.370   0.6891   10.870   0.7166 0.4982000 0.9942000 
1 1 1  -45   13    3 o   13.530   0.4038   13.380   0.5707   13.680   0.5713 -0.3021000 0.8075000 
1 1 1  -45   13    4 o   11.380   0.5134   10.660   0.7751   12.100   0.6733 -1.436000 1.027000 
1 1 1  -45   13    5 o   9.2800   0.7172   10.920   0.9878   7.6410   1.0400 3.277000 1.434000 
1 1 1  -45   13    6 o   20.950   0.3114   20.330   0.4304   21.570   0.4501 -1.243000 0.6228000 
1 1 1  -45   13    7 o   6.8830   0.8546   7.2940   1.0510   6.4720   1.3480 0.8227000 1.709000 
1 1 1  -45   13    8 f   21.050   0.3154   21.300   0.4254   20.800   0.4657 0.5035000 0.6308000 
1 1 1  -45   13    9 o   9.3170   0.6985   10.610   0.9022   8.0240   1.0670 2.587000 1.397000 
1 1 1  -45   13   10 o   27.350   0.2884   27.240   0.3964   27.460   0.4191 -0.2249000 0.5769000 
1 1 1  -45   13   11 o   10.480   0.5655   10.680   0.7218   10.280   0.8707 0.4047000 1.131000 
1 1 1  -45   13   12 o   14.130   0.4399   14.130   0.5717   14.120   0.6687 0.5058000E-02 0.8797000 
1 1 1  -45   13   13 o   9.1090   0.8445   8.8780   1.1550   9.3400   1.2330 -0.4622000 1.689000 
1 1 1  -45   13   14 o   32.170   0.3696   32.270   0.5321   32.080   0.5130 0.1906000 0.7391000 
1 1 1  -45   13   15 o   12.880   0.4949   12.890   0.6625   12.860   0.7354 0.3213000E-01 0.9898000 
1 1 1  -45   13   16 o   21.660   0.3404   21.650   0.4656   21.670   0.4967 -0.1915000E-01 0.6808000 
1 1 1  -45   13   17 o   28.730   0.3488   28.930   0.4840   28.520   0.5024 0.4083000 0.6977000 
1 1 1  -45   13   18 o   13.670   0.5398   13.820   0.7139   13.520   0.8097 0.3026000 1.080000 
1 1 1  -45   13   19 o   13.080   0.5170   12.450   0.7356   13.710   0.7267 -1.258000 1.034000 
1 1 1  -45   13   20 o   9.3840   0.7171   8.9580   1.0200   9.8100   1.0080 -0.8515000 1.434000 
1 1 1  -45   13   21 o   14.210   0.4954   14.440   0.6587   13.980   0.7401 0.4605000 0.9908000 
1 1 1  -45   13   22 o   4.6190   1.1740   4.7520   1.6350   4.4850   1.6860 0.2664000 2.348000 
1 1 1  -45   13   23 o   8.9180   0.9272   9.7390   1.0850   8.0970   1.5040 1.642000 1.854000 
1 1 1  -45   13   24 o   14.720   0.5176   14.340   0.7149   15.100   0.7486 -0.7620000 1.035000 
1 1 1  -45   13   25 o   6.8580   1.1300   6.1180   1.6640   7.5970   1.5300 -1.479000 2.261000 
1 1 1  -45   13   26 o   12.010   0.6849   11.240   1.0300   12.790   0.9027 -1.550000 1.370000 
1 1 1  -45   13   27 o   8.3070   1.1720   8.0380   1.8890   8.5760   1.3880 -0.5376000 2.344000 
1 1 1  -45   13   28 o   4.7220   1.2990   3.3500   1.6850   6.0950   1.9770 -2.745000 2.597000 
1 1 1  -45   13   29 o   3.2610   1.0970   3.0290   1.4890   3.4940   1.6110 -0.4646000 2.194000 
1 1 1  -45   13   30 o   3.9940   1.2070   4.3710   1.8050   3.6180   1.6020 0.7528000 2.414000 
1 1 1  -45   13   31 o   2.8400   0.9579   3.2330   1.4820   2.4470   1.2140 0.7855000 1.916000 
1 1 1  -45   15    1 o   13.520   0.5682   14.540   0.6822   12.500   0.9088 2.038000 1.136000 
1 1 1  -45   15    2 o   9.3720   0.6897   10.950   0.7655   7.7890   1.1480 3.165000 1.379000 
1 1 1  -45   15    3 o   17.060   0.3839   16.940   0.5236   17.190   0.5616 -0.2498000 0.7678000 
1 1 1  -45   15    4 f   17.760   0.3730   17.970   0.5039   17.560   0.5501 0.4038000 0.7460000 
1 1 1  -45   15    5 o   7.2100   0.9034   8.6040   0.9857   5.8160   1.5140 2.788000 1.807000 
1 1 1  -45   15    6 o   16.780   0.3962   16.830   0.5427   16.730   0.5774 0.1029000 0.7924000 
1 1 1  -45   15    7 o   18.760   0.3718   18.720   0.5091   18.800   0.5419 -0.7224000E-01 0.7435000 
1 1 1  -45   15    8 o   19.810   0.3572   19.740   0.4828   19.880   0.5266 -0.1393000 0.7144000 
1 1 1  -45   15    9 o   17.350   0.3823   16.990   0.5276   17.710   0.5534 -0.7165000 0.7646000 
1 1 1  -45   15   10 o   23.320   0.3615   23.740   0.4403   22.900   0.5736 0.8458000 0.7231000 
1 1 1  -45   15   11 o   11.870   0.6590   11.720   0.9059   12.020   0.9572 -0.3059000 1.318000 
1 1 1  -45   15   12 o   3.7450   1.1750   3.8530   1.6550   3.6370   1.6680 0.2161000 2.350000 
1 1 1  -45   15   13 o   16.490   0.4581   16.880   0.5663   16.090   0.7202 0.7983000 0.9162000 
1 1 1  -45   15   14 o   21.660   0.3826   22.120   0.4847   21.200   0.5922 0.9168000 0.7652000 
1 1 1  -45   15   15 o   14.990   0.4861   14.430   0.7061   15.550   0.6682 -1.122000 0.9721000 
1 1 1  -45   15   16 o   17.080   0.4204   16.470   0.5961   17.680   0.5929 -1.207000 0.8407000 
1 1 1  -45   15   17 o   22.500   0.3524   22.420   0.4890   22.590   0.5075 -0.1716000 0.7048000 
1 1 1  -45   15   18 f   17.410   0.4269   17.120   0.5910   17.700   0.6163 -0.5810000 0.8539000 
1 1 1  -45   15   19 o   4.8860   1.2380   5.0670   1.7870   4.7060   1.7130 0.3609000 2.476000 
1 1 1  -45   15   20 o   7.0580   1.0370   8.3290   1.1800   5.7870   1.7050 2.542000 2.073000 
1 1 1  -45   15   21 o   8.2720   0.9317   8.4480   1.2120   8.0960   1.4160 0.3520000 1.863000 
1 1 1  -45   15   22 o   10.260   0.8333   11.090   1.0000   9.4210   1.3330 1.669000 1.667000 
1 1 1  -45   15   23 o   4.2760   1.1940   3.7600   1.5910   4.7920   1.7800 -1.032000 2.387000 
1 1 1  -45   15   24 o   7.4940   1.0660   7.5240   1.4030   7.4640   1.6060 0.5998000E-01 2.133000 
1 1 1  -45   15   25 o   4.8650   1.2300   5.4920   1.7420   4.2380   1.7380 1.254000 2.461000 
1 1 1  -45   15   26 o   4.4530   1.2310   4.7440   1.7570   4.1620   1.7240 0.5822000 2.461000 
1 1 1  -45   15   27 o   19.090   0.7243   18.700   1.0480   19.490   1.0010 -0.7849000 1.449000 
1 1 1  -45   15   28 o   10.950   0.7802   11.660   0.9950   10.240   1.2020 1.421000 1.560000 
1 1 1  -45   15   29 o   2.9670   0.9958   2.4930   1.2450   3.4410   1.5550 -0.9483000 1.992000 
1 1 1  -45   15   30 o   2.3270   0.8293   2.1380   1.0970   2.5170   1.2440 -0.3790000 1.659000 
1 1 1  -45   17    1 o   11.910   0.5489   11.370   0.7870   12.450   0.7653 -1.080000 1.098000 
1 1 1  -45   17    2 o   8.5400   0.8158   8.0290   1.1920   9.0510   1.1140 -1.022000 1.632000 
1 1 1  -45   17    3 o   8.8050   0.7712   8.8870   1.0560   8.7240   1.1240 0.1627000 1.542000 
1 1 1  -45   17    4 o   6.0130   1.2860   5.2140   1.7940   6.8130   1.8440 -1.599000 2.572000 
1 1 1  -45   17    5 o   19.670   0.5057   20.440   0.6517   18.900   0.7734 1.540000 1.011000 
1 1 1  -45   17    6 o   11.910   0.7817   11.400   1.0750   12.430   1.1350 -1.026000 1.563000 
1 1 1  -45   17    7 o   15.840   0.5966   14.060   0.8690   17.620   0.8176 -3.558000 1.193000 
1 1 1  -45   17    8 o   15.040   0.5401   16.280   0.7652   13.800   0.7623 2.476000 1.080000 
1 1 1  -45   17    9 o   2.9800   0.9550   3.3380   1.4350   2.6220   1.2610 0.7159000 1.910000 
1 1 1  -45   17   10 o   16.810   0.4306   17.440   0.5485   16.170   0.6639 1.264000 0.8612000 
1 1 1  -45   17   11 o   16.830   0.4259   16.520   0.5835   17.150   0.6205 -0.6299000 0.8517000 
1 1 1  -45   17   12 o   8.5140   0.8349   8.2480   1.1430   8.7800   1.2170 -0.5322000 1.670000 
1 1 1  -45   17   13 o   19.040   0.3994   19.220   0.5284   18.850   0.5990 0.3666000 0.7988000 
1 1 1  -45   17   14 o   10.810   0.6888   12.050   0.7876   9.5680   1.1300 2.482000 1.378000 
1 1 1  -45   17   15 o   8.0940   0.9338   9.4020   1.0170   6.7850   1.5670 2.617000 1.868000 
1 1 1  -45   17   16 o   16.210   0.4631   16.360   0.6037   16.050   0.7023 0.3097000 0.9261000 
1 1 1  -45   17   17 o   22.500   0.3772   22.670   0.5198   22.330   0.5467 0.3448000 0.7543000 
1 1 1  -45   17   18 o   11.320   0.6688   11.530   0.8846   11.110   1.0030 0.4249000 1.338000 
1 1 1  -45   17   19 o   9.2500   0.8208   9.0010   1.1440   9.4990   1.1770 -0.4973000 1.642000 
1 1 1  -45   17   20 o   6.0880   1.1780   7.3350   1.4730   4.8410   1.8380 2.494000 2.355000 
1 1 1  -45   17   21 o   4.1430   1.2200   4.1410   1.6990   4.1450   1.7520 -0.3815000E-02 2.441000 
1 1 1  -45   17   22 o   6.1730   1.2240   6.4120   1.6460   5.9330   1.8120 0.4782000 2.448000 
1 1 1  -45   17   23 o   3.9750   1.1430   4.7760   1.7390   3.1740   1.4830 1.602000 2.286000 
1 1 1  -45   17   24 o   3.4470   1.1300   2.9010   1.4170   3.9930   1.7610 -1.092000 2.260000 
1 1 1  -45   17   25 o   8.0920   1.2630   7.7240   1.8290   8.4590   1.7420 -0.7354000 2.526000 
1 1 1  -45   17   26 o   9.5560   1.1140   10.120   1.4680   8.9900   1.6770 1.130000 2.229000 
1 1 1  -45   17   27 o   12.520   0.6879   12.610   0.9605   12.430   0.9850 0.1835000 1.376000 
1 1 1  -45   17   28 o   4.7340   1.2230   5.4250   1.7610   4.0430   1.6980 1.382000 2.446000 
1 1 1  -45   17   29 o   4.3490   1.2370   5.1470   1.9010   3.5510   1.5820 1.595000 2.473000 
1 1 1  -45   19    1 o   8.6560   1.0460   10.920   0.8687   6.3920   1.9030 4.528000 2.092000 
1 1 1  -45   19    2 o   4.2360   1.1110   4.9540   1.6320   3.5180   1.5090 1.436000 2.223000 
1 1 1  -45   19    3 o   13.980   0.4986   14.180   0.7028   13.780   0.7075 0.3977000 0.9972000 
1 1 1  -45   19    4 o   6.7400   1.1310   6.9020   1.4350   6.5790   1.7480 0.3224000 2.262000 
1 1 1  -45   19    5 o   8.2260   0.8989   7.6300   1.3080   8.8220   1.2330 -1.192000 1.798000 
1 1 1  -45   19    6 o   9.6320   0.7690   9.6180   1.0430   9.6450   1.1310 -0.2699000E-01 1.538000 
1 1 1  -45   19    7 o   26.790   0.3374   27.120   0.4627   26.460   0.4910 0.6596000 0.6747000 
1 1 1  -45   19    8 o   15.810   0.4805   16.670   0.6233   14.940   0.7315 1.730000 0.9610000 
1 1 1  -45   19    9 o   4.3330   1.1420   4.9990   1.6510   3.6670   1.5780 1.332000 2.284000 
1 1 1  -45   19   10 o   21.070   0.4178   20.940   0.5257   21.210   0.6494 -0.2726000 0.8355000 
1 1 1  -45   19   11 o   20.820   0.3924   20.640   0.5311   21.000   0.5778 -0.3610000 0.7848000 
1 1 1  -45   19   12 o   8.3780   0.9038   8.4810   1.1820   8.2760   1.3680 0.2056000 1.808000 
1 1 1  -45   19   13 o   24.020   0.3651   24.190   0.4946   23.860   0.5371 0.3313000 0.7301000 
1 1 1  -45   19   14 o   11.460   0.6762   11.450   0.8944   11.480   1.0140 -0.2724000E-01 1.352000 
1 1 1  -45   19   15 o   23.740   0.3756   23.750   0.5004   23.730   0.5604 0.2421000E-01 0.7513000 
1 1 1  -45   19   16 o   15.090   0.5300   15.620   0.6923   14.560   0.8027 1.066000 1.060000 
1 1 1  -45   19   17 o   6.5770   1.1590   7.1040   1.5130   6.0500   1.7570 1.054000 2.318000 
1 1 1  -45   19   18 o   5.2910   1.2660   6.0940   1.8250   4.4870   1.7540 1.606000 2.532000 
1 1 1  -45   19   19 o   10.370   0.8993   10.280   1.2110   10.470   1.3300 -0.1859000 1.799000 
1 1 1  -45   19   20 o   13.080   0.6835   13.300   0.9762   12.860   0.9569 0.4456000 1.367000 
1 1 1  -45   19   21 o   4.2680   1.2560   5.0110   1.9150   3.5250   1.6270 1.485000 2.513000 
1 1 1  -45   19   22 o   3.1230   1.0590   3.1670   1.5090   3.0780   1.4850 0.8870000E-01 2.118000 
1 1 1  -45   19   23 f   4.7700   1.2570   5.4140   1.8260   4.1260   1.7280 1.288000 2.514000 
1 1 1  -45   19   24 o   3.8140   1.1560   4.4160   1.7600   3.2110   1.4980 1.205000 2.311000 
1 1 1  -45   19   25 o   3.8730   1.2270   3.6530   1.6700   4.0920   1.7990 -0.4397000 2.454000 
1 1 1  -45   19   26 o   2.9400   0.9837   2.4150   1.2020   3.4660   1.5580 -1.051000 1.967000 
1 1 1  -45   19   27 o   2.3420   0.8296   1.8260   0.9362   2.8570   1.3700 -1.031000 1.659000 
1 1 1  -45   21    1 o   15.320   0.5704   15.860   0.6793   14.780   0.9165 1.082000 1.141000 
1 1 1  -45   21    2 o   13.930   0.5801   13.620   0.7803   14.230   0.8585 -0.6073000 1.160000 
1 1 1  -45   21    3 o   10.120   0.7596   11.040   0.9533   9.2070   1.1830 1.834000 1.519000 
1 1 1  -45   21    4 o   18.920   0.4749   18.290   0.5996   19.550   0.7365 -1.264000 0.9497000 
1 1 1  -45   21    5 o   10.720   0.7410   11.590   0.8856   9.8520   1.1880 1.736000 1.482000 
1 1 1  -45   21    6 o   18.130   0.4604   19.120   0.5860   17.130   0.7103 1.987000 0.9208000 
1 1 1  -45   21    7 o   13.130   0.5899   13.570   0.7695   12.700   0.8943 0.8649000 1.180000 
1 1 1  -45   21    8 o   4.4230   1.2040   4.0890   1.6440   4.7580   1.7600 -0.6683000 2.408000 
1 1 1  -45   21    9 o   4.4450   1.1970   4.7530   1.6840   4.1370   1.7020 0.6162000 2.394000 
1 1 1  -45   21   10 o   3.2160   1.0340   3.5070   1.5310   2.9260   1.3920 0.5810000 2.069000 
1 1 1  -45   21   11 o   3.3860   1.0750   2.9750   1.3900   3.7970   1.6400 -0.8222000 2.149000 
1 1 1  -45   21   12 o   9.7600   0.8101   9.6590   1.1170   9.8600   1.1740 -0.2010000 1.620000 
1 1 1  -45   21   13 o   20.030   0.4263   20.570   0.5785   19.500   0.6264 1.070000 0.8526000 
1 1 1  -45   21   14 o   8.1630   1.0060   7.9060   1.4500   8.4210   1.3950 -0.5151000 2.012000 
1 1 1  -45   21   15 o   8.4330   1.0240   9.7850   1.1580   7.0800   1.6890 2.705000 2.048000 
1 1 1  -45   21   16 o   3.9730   1.2190   4.3820   1.8040   3.5630   1.6410 0.8190000 2.439000 
1 1 1  -45   21   17 o   3.8690   1.2460   4.2020   1.8820   3.5370   1.6330 0.6653000 2.492000 
1 1 1  -45   21   18 o   10.850   1.0780   12.960   1.3590   8.7380   1.6740 4.224000 2.156000 
1 1 1  -45   21   19 o   14.760   0.6551   15.220   0.9143   14.290   0.9385 0.9328000 1.310000 
1 1 1  -45   21   20 o   7.5450   1.2030   8.2400   1.6630   6.8510   1.7380 1.389000 2.405000 
1 1 1  -45   21   21 o   3.7940   1.1620   3.9490   1.6810   3.6390   1.6050 0.3099000 2.324000 
1 1 1  -45   21   22 o   3.8300   1.1520   4.4140   1.7460   3.2460   1.5030 1.168000 2.304000 
1 1 1  -45   21   23 o   3.0630   1.0460   3.0000   1.4550   3.1250   1.5030 -0.1253000 2.092000 
1 1 1  -45   21   24 o   3.8820   1.2190   3.4870   1.6220   4.2770   1.8210 -0.7900000 2.439000 
1 1 1  -45   21   25 o   2.5650   0.8914   3.0970   1.4530   2.0320   1.0320 1.066000 1.783000 
1 1 1  -45   23    1 o   11.740   0.8410   12.700   0.9219   10.790   1.4070 1.910000 1.682000 
1 1 1  -45   23    2 o   7.7970   1.1770   8.0050   1.4580   7.5890   1.8480 0.4157000 2.354000 
1 1 1  -45   23    3 o   6.5850   1.2810   7.0660   1.6190   6.1050   1.9860 0.9608000 2.562000 
1 1 1  -45   23    4 o   5.5210   1.2430   7.0180   1.5900   4.0240   1.9110 2.994000 2.485000 
1 1 1  -45   23    5 o   4.8730   1.3260   4.4170   1.7150   5.3280   2.0230 -0.9103000 2.652000 
1 1 1  -45   23    6 o   8.7450   1.1070   7.9480   1.4470   9.5430   1.6760 -1.595000 2.214000 
1 1 1  -45   23    7 o   10.970   0.8597   12.210   0.9201   9.7230   1.4520 2.490000 1.719000 
1 1 1  -45   23    8 o   7.0070   1.1240   5.2360   1.7630   8.7770   1.3940 -3.540000 2.248000 
1 1 1  -45   23    9 o   11.720   0.6935   11.740   0.9540   11.690   1.0070 0.5609000E-01 1.387000 
1 1 1  -45   23   10 o   10.140   0.8143   10.330   1.0970   9.9510   1.2040 0.3774000 1.629000 
1 1 1  -45   23   11 o   6.9070   1.2780   6.2770   1.8660   7.5360   1.7460 -1.259000 2.556000 
1 1 1  -45   23   12 o   7.4650   1.5230   6.7490   2.1680   8.1820   2.1390 -1.433000 3.046000 
1 1 1  -45   23   13 f   5.7850   1.4030   7.7790   2.1550   3.7910   1.7970 3.988000 2.806000 
1 1 1  -45   23   14 o   12.070   1.0750   12.750   1.4300   11.400   1.6060 1.350000 2.150000 
1 1 1  -45   23   15 o   6.5980   1.3440   6.2420   1.9680   6.9540   1.8290 -0.7120000 2.687000 
1 1 1  -45   23   16 o   6.1780   1.2460   5.5950   1.8120   6.7620   1.7090 -1.167000 2.491000 
1 1 1  -45   23   17 o   5.4650   1.1920   6.9940   1.6970   3.9370   1.6740 3.057000 2.384000 
1 1 1  -45   23   18 o   3.7900   1.1640   3.8960   1.6600   3.6840   1.6340 0.2113000 2.329000 
1 1 1  -45   23   19 o   6.0700   1.2490   6.7710   1.6890   5.3690   1.8410 1.402000 2.499000 
1 1 1  -45   23   20 o   2.9380   0.9872   2.5530   1.2550   3.3220   1.5240 -0.7691000 1.974000 
1 1 1  -45   23   21 o   4.2920   1.2660   3.6000   1.6470   4.9850   1.9230 -1.385000 2.532000 
1 1 1  -45   23   22 o   2.6260   0.9373   2.3940   1.2190   2.8580   1.4240 -0.4645000 1.875000 
1 1 1  -45   23   23 o   2.4430   0.8914   2.5080   1.2920   2.3780   1.2290 0.1297000 1.783000 
1 1 1  -45   25    1 o   8.8210   1.0120   9.4630   1.2510   8.1800   1.5920 1.283000 2.024000 
1 1 1  -45   25    2 o   14.330   0.7209   15.340   0.7956   13.320   1.2020 2.024000 1.442000 
1 1 1  -45   25    3 o   6.9150   1.2870   6.5940   1.7130   7.2360   1.9200 -0.6419000 2.573000 
1 1 1  -45   25    4 o   5.3540   1.4250   5.3790   1.9920   5.3290   2.0370 0.4974000E-01 2.849000 
1 1 1  -45   25    5 f   4.4440   1.2840   3.5450   1.6480   5.3430   1.9700 -1.798000 2.569000 
1 1 1  -45   25    6 o   4.2140   1.3390   4.5270   1.8920   3.9000   1.8940 0.6269000 2.677000 
1 1 1  -45   25    7 o   4.3510   1.4000   4.1310   1.8110   4.5700   2.1350 -0.4392000 2.799000 
1 1 1  -45   25    8 o   3.2560   1.1040   3.3570   1.5870   3.1550   1.5350 0.2014000 2.208000 
1 1 1  -45   25    9 o   3.8880   1.2340   4.2950   1.8420   3.4820   1.6430 0.8135000 2.468000 
1 1 1  -45   25   10 o   4.3060   1.2520   4.6660   1.7680   3.9470   1.7720 0.7192000 2.503000 
1 1 1  -45   25   11 o   5.4370   1.2420   6.8190   1.6780   4.0560   1.8320 2.764000 2.484000 
1 1 1  -45   25   12 f   5.7760   1.2710   6.6620   1.7150   4.8890   1.8770 1.774000 2.543000 
1 1 1  -45   25   13 o   6.2380   1.2620   6.1030   1.7850   6.3730   1.7840 -0.2705000 2.523000 
1 1 1  -45   25   14 o   10.910   0.7828   10.090   1.1840   11.730   1.0240 -1.638000 1.566000 
1 1 1  -45   25   15 o   6.6160   1.2140   6.0500   1.7830   7.1810   1.6490 -1.132000 2.428000 
1 1 1  -45   25   16 o   3.4470   1.0950   3.1820   1.4770   3.7120   1.6180 -0.5302000 2.191000 
1 1 1  -45   25   17 o   2.9200   0.9844   3.1820   1.4810   2.6580   1.2980 0.5238000 1.969000 
1 1 1  -45   25   18 o   2.6340   0.9288   2.3940   1.1930   2.8730   1.4240 -0.4798000 1.858000 
1 1 1  -45   25   19 o   3.0100   1.0430   3.1250   1.5170   2.8960   1.4330 0.2291000 2.086000 
1 1 1  -45   25   20 o   1.6510   0.8602  ?   ?    1.6510   0.8602      ?      ? 
1 1 1  -45   27    1 o   4.0610   1.2070   3.5100   1.5750   4.6110   1.8290 -1.101000 2.414000 
1 1 1  -45   27    2 o   3.5240   1.1090   4.0290   1.6840   3.0190   1.4440 1.010000 2.219000 
1 1 1  -45   27    3 o   4.9300   1.3160   5.0430   1.7950   4.8170   1.9240 0.2260000 2.631000 
1 1 1  -45   27    4 o   10.860   0.9199   11.100   1.0590   10.630   1.5050 0.4644000 1.840000 
1 1 1  -45   27    5 o   4.0190   1.2010   3.4060   1.5470   4.6310   1.8370 -1.224000 2.402000 
1 1 1  -45   27    6 o   7.1230   1.2060   6.2290   1.7870   8.0160   1.6190 -1.786000 2.412000 
1 1 1  -45   27    7 o   4.7630   1.2630   5.4310   1.8280   4.0960   1.7430 1.335000 2.525000 
1 1 1  -45   27    8 f   3.2390   1.0640   2.9720   1.4130   3.5070   1.5900 -0.5353000 2.127000 
1 1 1  -45   27    9 o   5.3750   1.2670   4.8770   1.7760   5.8730   1.8070 -0.9966000 2.533000 
1 1 1  -45   27   10 o   3.2000   1.0440   3.5480   1.5760   2.8510   1.3700 0.6973000 2.088000 
1 1 1  -45   27   11 o   3.5280   1.1340   3.7140   1.6160   3.3430   1.5910 0.3711000 2.268000 
1 1 1  -45   27   12 o   2.9310   1.0090   2.9300   1.4130   2.9330   1.4400 -0.2556000E-02 2.018000 
1 1 1  -45   27   13 o   3.6350   1.1770   3.2710   1.5260   3.9980   1.7930 -0.7277000 2.354000 
1 1 1  -45   27   14 o   2.1970   0.7962   2.1100   1.0740   2.2840   1.1760 -0.1740000 1.592000 
1 1 1  -45   27   15 o   2.9910   1.0420   3.3720   1.6040   2.6100   1.3310 0.7620000 2.084000 
1 1 1  -45   29    1 f   2.2380   0.8002   2.3520   1.1850   2.1240   1.0760 0.2281000 1.600000 
1 1 1  -45   29    2 o   2.4380   0.8705   2.3710   1.1930   2.5050   1.2670 -0.1338000 1.741000 
1 1 1  -45   29    3 o   2.5220   0.8974   2.4960   1.2490   2.5480   1.2890 -0.5123000E-01 1.795000 
1 1 1  -45   29    4 o   3.2990   1.1020   2.9990   1.4500   3.5990   1.6610 -0.6006000 2.205000 
1 1 1  -45   29    5 o   3.6760   1.1810   3.3120   1.5610   4.0400   1.7720 -0.7285000 2.362000 
1 1 1  -45   29    6 f   3.1220   1.0530   2.6680   1.3190   3.5760   1.6430 -0.9074000 2.107000 
1 1 1  -45   29    7 o   2.6600   0.9316   2.7880   1.3680   2.5320   1.2650 0.2561000 1.863000 
1 1 1  -45   29    8 o   2.1010   1.0900   2.1010   1.0900  ?   ?       ?      ? 
1 1 1  -44    0    1 o   57.690   0.7783   57.690   0.7783   57.690   0.7783 -0.000000 0.000000 
1 1 1  -44    0    2 o   21.820   0.6683   21.820   0.6683   21.820   0.6683 -0.000000 0.000000 
1 1 1  -44    0    3 o   25.650   0.5990   25.650   0.5990   25.650   0.5990 -0.000000 0.000000 
1 1 1  -44    0    4 o   4.6360   2.2490   4.6360   2.2490   4.6360   2.2490 0.000000 0.000000 
1 1 1  -44    0    5 o   15.020   0.8196   15.020   0.8196   15.020   0.8196 0.000000 0.000000 
1 1 1  -44    0    6 o   26.140   0.5575   26.140   0.5575   26.140   0.5575 -0.000000 0.000000 
1 1 1  -44    0    7 o   35.110   0.3881   35.110   0.3881   35.110   0.3881 0.000000 0.000000 
1 1 1  -44    0    8 o   22.850   0.3814   22.850   0.3814   22.850   0.3814 0.000000 0.000000 
1 1 1  -44    0    9 o   36.760   0.4476   36.760   0.4476   36.760   0.4476 -0.000000 0.000000 
1 1 1  -44    0   10 o   1.7910   1.2320   1.7910   1.2320   1.7910   1.2320 -0.000000 0.000000 
1 1 1  -44    0   11 o   1.8670   1.2710   1.8670   1.2710   1.8670   1.2710 -0.000000 0.000000 
1 1 1  -44    0   12 f   38.760   0.4085   38.760   0.4085   38.760   0.4085 -0.000000 0.000000 
1 1 1  -44    0   13 o   1.7040   1.2200   1.7040   1.2200   1.7040   1.2200 -0.000000 0.000000 
1 1 1  -44    0   14 o   22.540   0.5394   22.540   0.5394   22.540   0.5394 -0.000000 0.000000 
1 1 1  -44    0   15 o   2.8720   1.6390   2.8720   1.6390   2.8720   1.6390 -0.000000 0.000000 
1 1 1  -44    0   16 o   20.030   0.4404   20.030   0.4404   20.030   0.4404 0.000000 0.000000 
1 1 1  -44    0   17 o   17.760   0.5321   17.760   0.5321   17.760   0.5321 -0.000000 0.000000 
1 1 1  -44    0   18 o   2.7700   1.6020   2.7700   1.6020   2.7700   1.6020 -0.000000 0.000000 
1 1 1  -44    0   19 o   5.0490   1.6310   5.0490   1.6310   5.0490   1.6310 -0.000000 0.000000 
1 1 1  -44    0   20 o   20.940   0.4932   20.940   0.4932   20.940   0.4932 -0.000000 0.000000 
1 1 1  -44    0   21 o   14.150   0.5570   14.150   0.5570   14.150   0.5570 -0.000000 0.000000 
1 1 1  -44    0   22 o   9.0090   1.2690   9.0090   1.2690   9.0090   1.2690 -0.000000 0.000000 
1 1 1  -44    0   23 o   15.260   0.7443   15.260   0.7443   15.260   0.7443 0.000000 0.000000 
1 1 1  -44    0   24 o   14.160   0.6216   14.160   0.6216   14.160   0.6216 -0.000000 0.000000 
1 1 1  -44    0   25 o   2.2110   1.4590   2.2110   1.4590   2.2110   1.4590 -0.000000 0.000000 
1 1 1  -44    0   26 o   3.4310   1.8370   3.4310   1.8370   3.4310   1.8370 0.000000 0.000000 
1 1 1  -44    0   27 o   2.3190   1.6260   2.3190   1.6260   2.3190   1.6260 0.000000 0.000000 
1 1 1  -44    0   28 o   4.7840   2.4550   4.7840   2.4550   4.7840   2.4550 -0.000000 0.000000 
1 1 1  -44    0   29 o   1.4250   1.0460   1.4250   1.0460   1.4250   1.0460 0.000000 0.000000 
1 1 1  -44    0   30 o   24.690   0.5150   24.690   0.5150   24.690   0.5150 -0.000000 0.000000 
1 1 1  -44    0   31 o   6.1470   2.0480   6.1470   2.0480   6.1470   2.0480 0.000000 0.000000 
1 1 1  -44    0   32 o   3.7880   2.0850   3.7880   2.0850   3.7880   2.0850 -0.000000 0.000000 
1 1 1  -44    0   33 o   5.9750   2.1160   5.9750   2.1160   5.9750   2.1160 -0.000000 0.000000 
1 1 1  -44    0   34 o   3.6810   2.0530   3.6810   2.0530   3.6810   2.0530 0.000000 0.000000 
1 1 1  -44    0   35 o   4.7270   2.4220   4.7270   2.4220   4.7270   2.4220 -0.000000 0.000000 
1 1 1  -44    2    1 o   43.720   0.3692   43.490   0.5174   43.950   0.5269 -0.4584000 0.7384000 
1 1 1  -44    2    2 o   17.650   0.3962   18.090   0.5571   17.210   0.5635 0.8827000 0.7924000 
1 1 1  -44    2    3 o   25.020   0.3248   25.060   0.4577   24.970   0.4609 0.9186000E-01 0.6495000 
1 1 1  -44    2    4 o   28.040   0.2652   27.580   0.3734   28.500   0.3766 -0.9224000 0.5303000 
1 1 1  -44    2    5 o   22.030   0.2695   21.980   0.3794   22.080   0.3827 -0.9773000E-01 0.5389000 
1 1 1  -44    2    6 f   19.540   0.3060   18.630   0.4794   20.460   0.3804 -1.829000 0.6120000 
1 1 1  -44    2    7 o   37.310   0.3288   37.690   0.5303   36.940   0.3890 0.7544000 0.6576000 
1 1 1  -44    2    8 f   11.720   0.6682   11.250   1.1000   12.200   0.7593 -0.9523000 1.336000 
1 1 1  -44    2    9 o   26.090   0.4169   26.840   0.6972   25.350   0.4571 1.483000 0.8337000 
1 1 1  -44    2   10 o   33.440   0.3382   33.990   0.5262   32.880   0.4250 1.109000 0.6764000 
1 1 1  -44    2   11 o   47.370   0.4187   47.970   0.6549   46.770   0.5220 1.193000 0.8375000 
1 1 1  -44    2   12 o   26.590   0.3339   26.500   0.5167   26.680   0.4229 -0.1725000 0.6677000 
1 1 1  -44    2   13 o   25.740   0.3326   26.840   0.3923   24.650   0.5372 2.186000 0.6652000 
1 1 1  -44    2   14 o   22.770   0.3336   22.870   0.4952   22.670   0.4473 0.2012000 0.6673000 
1 1 1  -44    2   15 o   22.720   0.3377   22.720   0.4988   22.730   0.4553 -0.1185000E-01 0.6753000 
1 1 1  -44    2   16 o   9.5330   0.5569   9.8330   0.7880   9.2320   0.7871 0.6011000 1.114000 
1 1 1  -44    2   17 o   21.650   0.2938   21.510   0.4217   21.790   0.4093 -0.2795000 0.5877000 
1 1 1  -44    2   18 o   24.480   0.2807   24.740   0.3964   24.220   0.3975 0.5209000 0.5613000 
1 1 1  -44    2   19 o   14.160   0.3865   14.040   0.5492   14.270   0.5439 -0.2336000 0.7729000 
1 1 1  -44    2   20 o   22.780   0.2910   22.680   0.4109   22.870   0.4123 -0.1904000 0.5821000 
1 1 1  -44    2   21 o   10.330   0.6156   9.3120   1.0240   11.350   0.6839 -2.033000 1.231000 
1 1 1  -44    2   22 o   14.890   0.4545   14.820   0.6778   14.950   0.6057 -0.1269000 0.9090000 
1 1 1  -44    2   23 o   19.630   0.3693   19.770   0.5013   19.500   0.5424 0.2682000 0.7386000 
1 1 1  -44    2   24 o   16.720   0.3982   17.210   0.5685   16.220   0.5578 0.9900000 0.7965000 
1 1 1  -44    2   25 o   36.410   0.3076   36.260   0.4357   36.550   0.4343 -0.2935000 0.6152000 
1 1 1  -44    2   26 o   14.730   0.4552   14.950   0.6283   14.500   0.6589 0.4509000 0.9104000 
1 1 1  -44    2   27 o   14.850   0.5544   15.170   0.7604   14.520   0.8069 0.6473000 1.109000 
1 1 1  -44    2   28 o   8.6700   1.0290   7.7080   1.6560   9.6330   1.2220 -1.924000 2.058000 
1 1 1  -44    2   29 f   11.060   0.6720   11.050   0.9511   11.080   0.9497 -0.3198000E-01 1.344000 
1 1 1  -44    2   30 o   6.2820   1.1460   5.2640   1.7170   7.3010   1.5180 -2.037000 2.292000 
1 1 1  -44    2   31 o   8.8390   0.9447   8.6290   1.3380   9.0500   1.3340 -0.4213000 1.889000 
1 1 1  -44    2   32 o   10.010   0.8401   10.200   1.1560   9.8270   1.2190 0.3736000 1.680000 
1 1 1  -44    2   33 o   8.6060   0.9995   7.6440   1.5570   9.5680   1.2530 -1.925000 1.999000 
1 1 1  -44    2   34 o   3.5410   1.0990   4.2110   1.7140   2.8700   1.3770 1.341000 2.199000 
1 1 1  -44    2   35 o   3.6630   1.1660   4.3260   1.7750   3.0000   1.5140 1.326000 2.333000 
1 1 1  -44    4    1 o   15.280   0.3691   14.810   0.5033   15.760   0.5400 -0.9483000 0.7382000 
1 1 1  -44    4    2 o   25.960   0.2547   26.740   0.3651   25.180   0.3551 1.557000 0.5093000 
1 1 1  -44    4    3 o   16.340   0.9257   15.010   1.3300   17.670   1.2880 -2.662000 1.851000 
1 1 1  -44    4    4 o   32.120   0.6464   30.900   0.8736   33.330   0.9528 -2.437000 1.293000 
1 1 1  -44    4    5 o   27.120   0.6698   28.070   0.8883   26.180   1.0030 1.894000 1.340000 
1 1 1  -44    4    6 o   17.900   0.8418   18.350   1.1180   17.450   1.2590 0.9024000 1.684000 
1 1 1  -44    4    7 o   17.740   0.8137   17.810   1.1240   17.670   1.1770 0.1444000 1.627000 
1 1 1  -44    4    8 o   13.970   0.9682   14.740   1.2810   13.200   1.4520 1.540000 1.936000 
1 1 1  -44    4    9 f   33.800   0.2676   33.930   0.3800   33.660   0.3769 0.2673000 0.5352000 
1 1 1  -44    4   10 o   26.930   0.3236   26.920   0.4549   26.940   0.4603 -0.2099000E-01 0.6472000 
1 1 1  -44    4   11 o   39.540   0.3217   39.820   0.4949   39.260   0.4110 0.5652000 0.6433000 
1 1 1  -44    4   12 o   51.270   0.4256   51.560   0.6949   50.980   0.4915 0.5834000 0.8512000 
1 1 1  -44    4   13 o   15.440   0.4600   14.870   0.7057   16.010   0.5901 -1.131000 0.9199000 
1 1 1  -44    4   14 o   28.920   0.3306   29.310   0.5400   28.520   0.3816 0.7806000 0.6612000 
1 1 1  -44    4   15 o   28.790   0.4890   28.980   0.8655   28.600   0.4555 0.3784000 0.9781000 
1 1 1  -44    4   16 o   22.340   0.3653   22.090   0.6023   22.580   0.4135 -0.4853000 0.7306000 
1 1 1  -44    4   17 o   37.990   0.3221   38.170   0.4939   37.820   0.4135 0.3478000 0.6441000 
1 1 1  -44    4   18 o   11.770   0.4734   12.640   0.6285   10.890   0.7081 1.750000 0.9468000 
1 1 1  -44    4   19 o   20.210   0.3089   20.390   0.4385   20.030   0.4353 0.3529000 0.6179000 
1 1 1  -44    4   20 o   14.740   0.4621   14.280   0.6910   15.200   0.6136 -0.9167000 0.9241000 
1 1 1  -44    4   21 o   3.8630   1.0700   4.6280   1.6280   3.0970   1.3900 1.531000 2.141000 
1 1 1  -44    4   22 o   22.240   0.3058   22.240   0.4325   22.240   0.4324 0.5136000E-02 0.6116000 
1 1 1  -44    4   23 o   11.000   0.5697   10.660   0.7696   11.330   0.8402 -0.6755000 1.139000 
1 1 1  -44    4   24 o   33.730   0.3393   33.770   0.4718   33.680   0.4877 0.9047000E-01 0.6785000 
1 1 1  -44    4   25 o   22.030   0.3344   21.770   0.4724   22.300   0.4735 -0.5338000 0.6689000 
1 1 1  -44    4   26 o   28.380   0.3625   27.890   0.5091   28.870   0.5162 -0.9783000 0.7251000 
1 1 1  -44    4   27 f   4.9090   1.0740   3.6320   1.4980   6.1870   1.5390 -2.555000 2.148000 
1 1 1  -44    4   28 o   5.3170   1.2790   4.8300   1.8130   5.8040   1.8050 -0.9738000 2.559000 
1 1 1  -44    4   29 o   8.5330   0.9119   9.0680   1.1730   7.9990   1.3970 1.070000 1.824000 
1 1 1  -44    4   30 o   2.9900   0.9902   2.8040   1.3350   3.1770   1.4630 -0.3728000 1.980000 
1 1 1  -44    4   31 o   5.7500   1.2360   5.0900   1.7540   6.4110   1.7410 -1.321000 2.472000 
1 1 1  -44    4   32 o   3.2570   1.0640   3.2180   1.4810   3.2960   1.5290 -0.7804000E-01 2.129000 
1 1 1  -44    4   33 o   10.740   0.7870   11.250   1.0290   10.220   1.1910 1.034000 1.574000 
1 1 1  -44    4   34 o   2.6130   0.9138   2.7120   1.3300   2.5130   1.2530 0.1989000 1.828000 
1 1 1  -44    6    1 o   37.110   0.2932   37.100   0.4095   37.120   0.4197 -0.2250000E-01 0.5864000 
1 1 1  -44    6    2 o   18.390   0.6842   17.300   0.9291   19.480   1.0050 -2.179000 1.368000 
1 1 1  -44    6    3 o   44.940   0.4985   44.860   0.6857   45.030   0.7236 -0.1714000 0.9969000 
1 1 1  -44    6    4 o   21.510   0.5976   22.270   0.7601   20.760   0.9224 1.512000 1.195000 
1 1 1  -44    6    5 o   23.900   0.5242   23.100   0.7404   24.700   0.7423 -1.591000 1.048000 
1 1 1  -44    6    6 o   40.150   0.6583   40.150   0.6583  ?   ?       ?      ? 
1 1 1  -44    6    7 o   22.590   0.5263   22.440   0.7465   22.740   0.7420 -0.2915000 1.053000 
1 1 1  -44    6    8 f   19.600   0.5675   19.770   0.8034   19.430   0.8016 0.3415000 1.135000 
1 1 1  -44    6    9 o   33.740   0.4467   33.350   0.6327   34.120   0.6307 -0.7776000 0.8933000 
1 1 1  -44    6   10 o   15.570   0.3486   15.860   0.5352   15.280   0.4468 0.5792000 0.6971000 
1 1 1  -44    6   11 o   21.600   0.3320   21.330   0.4637   21.870   0.4754 -0.5341000 0.6641000 
1 1 1  -44    6   12 o   18.710   0.3346   18.700   0.4561   18.730   0.4897 -0.3142000E-01 0.6692000 
1 1 1  -44    6   13 o   23.160   0.2910   22.940   0.4194   23.370   0.4036 -0.4264000 0.5820000 
1 1 1  -44    6   14 o   13.060   0.4326   14.410   0.5541   11.710   0.6646 2.699000 0.8652000 
1 1 1  -44    6   15 o   15.980   0.4101   15.160   0.5524   16.800   0.6062 -1.642000 0.8201000 
1 1 1  -44    6   16 o   17.350   0.4461   17.240   0.6603   17.450   0.6000 -0.2116000 0.8922000 
1 1 1  -44    6   17 o   9.3350   0.6868   8.9940   1.1150   9.6760   0.8027 -0.6823000 1.374000 
1 1 1  -44    6   18 o   7.1930   0.9236   7.7170   1.3970   6.6690   1.2090 1.048000 1.847000 
1 1 1  -44    6   19 o   7.4270   0.9466   7.6890   1.4120   7.1660   1.2610 0.5233000 1.893000 
1 1 1  -44    6   20 o   11.830   0.5944   11.710   0.9856   11.960   0.6647 -0.2531000 1.189000 
1 1 1  -44    6   21 f   12.330   0.5207   11.720   0.8234   12.950   0.6376 -1.231000 1.041000 
1 1 1  -44    6   22 o   6.5250   0.8963   6.4000   1.2730   6.6500   1.2620 -0.2500000 1.793000 
1 1 1  -44    6   23 o   16.880   0.3748   17.250   0.5147   16.510   0.5449 0.7392000 0.7495000 
1 1 1  -44    6   24 o   12.260   0.6727   12.950   0.8216   11.570   1.0660 1.375000 1.345000 
1 1 1  -44    6   25 o   18.020   0.4330   18.250   0.5806   17.800   0.6426 0.4453000 0.8660000 
1 1 1  -44    6   26 o   9.8410   0.6663   9.4450   0.9571   10.240   0.9274 -0.7912000 1.333000 
1 1 1  -44    6   27 o   22.180   0.3568   21.730   0.5058   22.630   0.5035 -0.8972000 0.7136000 
1 1 1  -44    6   28 o   12.150   0.7172   12.880   0.9561   11.410   1.0690 1.470000 1.434000 
1 1 1  -44    6   29 o   11.630   0.7897   10.980   1.1620   12.270   1.0700 -1.283000 1.579000 
1 1 1  -44    6   30 o   5.0850   1.2130   5.8970   1.7000   4.2720   1.7310 1.625000 2.426000 
1 1 1  -44    6   31 o   6.1130   1.2200   6.2970   1.6570   5.9290   1.7910 0.3680000 2.440000 
1 1 1  -44    6   32 o   4.4860   1.1460   3.0970   1.4380   5.8740   1.7840 -2.777000 2.291000 
1 1 1  -44    6   33 o   16.010   0.6066   15.740   0.8626   16.290   0.8531 -0.5473000 1.213000 
1 1 1  -44    6   34 o   2.4410   0.8550   2.2380   1.1230   2.6440   1.2900 -0.4065000 1.710000 
1 1 1  -44    8    1 f   7.8220   0.7314   6.5000   1.1890   9.1440   0.8523 -2.644000 1.463000 
1 1 1  -44    8    2 o   13.610   0.6952   13.650   1.2160   13.580   0.6736 0.7473000E-01 1.390000 
1 1 1  -44    8    3 o   20.610   0.6463   21.490   0.8142   19.740   1.0040 1.752000 1.293000 
1 1 1  -44    8    4 o   37.670   0.6001   37.950   0.6731   37.390   0.9938 0.5588000 1.200000 
1 1 1  -44    8    5 o   37.950   0.4737   38.180   0.6635   37.720   0.6762 0.4584000 0.9474000 
1 1 1  -44    8    6 o   17.590   0.6668   17.580   0.9133   17.600   0.9716 -0.1407000E-01 1.334000 
1 1 1  -44    8    7 o   10.650   1.0750   11.350   1.3720   9.9490   1.6560 1.404000 2.151000 
1 1 1  -44    8    8 o   20.050   0.5759   20.250   0.8023   19.850   0.8265 0.3957000 1.152000 
1 1 1  -44    8    9 o   27.440   0.4753   27.340   0.6726   27.550   0.6718 -0.2142000 0.9507000 
1 1 1  -44    8   10 o   11.040   0.3940   10.900   0.5314   11.190   0.5818 -0.2937000 0.7880000 
1 1 1  -44    8   11 o   21.970   0.3267   22.190   0.4499   21.750   0.4740 0.4355000 0.6535000 
1 1 1  -44    8   12 o   19.860   0.3057   19.850   0.4386   19.870   0.4259 -0.2484000E-01 0.6114000 
1 1 1  -44    8   13 o   28.200   0.2822   28.400   0.4037   28.010   0.3945 0.3874000 0.5645000 
1 1 1  -44    8   14 o   27.880   0.3084   27.640   0.4107   28.110   0.4601 -0.4650000 0.6168000 
1 1 1  -44    8   15 o   23.200   0.3757   23.220   0.5451   23.180   0.5172 0.3850000E-01 0.7514000 
1 1 1  -44    8   16 o   7.8310   1.2410   6.2830   2.0490   9.3800   1.4010 -3.097000 2.482000 
1 1 1  -44    8   17 f   5.1270   1.0990   5.7100   1.5130   4.5440   1.5960 1.166000 2.199000 
1 1 1  -44    8   18 o   12.270   0.4704   11.060   0.7101   13.480   0.6171 -2.412000 0.9408000 
1 1 1  -44    8   19 o   8.1670   0.6860   8.4170   0.9130   7.9160   1.0240 0.5019000 1.372000 
1 1 1  -44    8   20 o   9.3340   0.6168   9.3800   0.8651   9.2880   0.8795 0.9225000E-01 1.234000 
1 1 1  -44    8   21 o   18.530   0.4214   18.770   0.6829   18.290   0.4939 0.4841000 0.8428000 
1 1 1  -44    8   22 o   13.580   0.5570   13.220   0.9069   13.950   0.6470 -0.7313000 1.114000 
1 1 1  -44    8   23 o   23.100   0.4212   22.850   0.6543   23.340   0.5307 -0.4827000 0.8424000 
1 1 1  -44    8   24 o   6.3030   1.2590   6.4930   1.9290   6.1140   1.6200 0.3783000 2.519000 
1 1 1  -44    8   25 o   21.500   0.3534   21.560   0.4981   21.440   0.5014 0.1128000 0.7068000 
1 1 1  -44    8   26 o   3.9950   1.1050   4.4550   1.6020   3.5360   1.5210 0.9192000 2.209000 
1 1 1  -44    8   27 o   4.8050   1.1380   5.7480   1.6190   3.8620   1.6010 1.886000 2.277000 
1 1 1  -44    8   28 o   10.260   0.9154   10.110   1.2900   10.410   1.2990 -0.3014000 1.831000 
1 1 1  -44    8   29 o   5.9850   1.2500   4.1790   1.7700   7.7910   1.7660 -3.612000 2.500000 
1 1 1  -44    8   30 o   16.500   0.5110   17.360   0.6568   15.630   0.7830 1.732000 1.022000 
1 1 1  -44    8   31 o   5.7940   1.1930   4.1550   1.7610   7.4330   1.6100 -3.279000 2.386000 
1 1 1  -44    8   32 o   6.7840   1.2980   6.9950   1.7940   6.5720   1.8760 0.4238000 2.596000 
1 1 1  -44    8   33 o   2.9240   0.9771   2.4170   1.1970   3.4300   1.5450 -1.013000 1.954000 
1 1 1  -44   10    1 o   22.220   0.4109   22.120   0.5841   22.320   0.5781 -0.1947000 0.8219000 
1 1 1  -44   10    2 o   26.440   0.3602   26.540   0.5093   26.340   0.5096 0.1964000 0.7204000 
1 1 1  -44   10    3 o   27.870   0.3033   27.790   0.3676   27.960   0.4825 -0.1709000 0.6066000 
1 1 1  -44   10    4 o   17.190   0.5300   16.590   0.9876   17.790   0.3848 -1.197000 1.060000 
1 1 1  -44   10    5 o   21.710   0.5601   21.280   0.7841   22.140   0.8001 -0.8694000 1.120000 
1 1 1  -44   10    6 o   16.880   0.6897   17.740   0.8997   16.020   1.0460 1.717000 1.379000 
1 1 1  -44   10    7 o   5.0580   1.1670   5.4900   2.0400   4.6250   1.1330 0.8643000 2.334000 
1 1 1  -44   10    8 o   33.170   0.2701   33.330   0.3785   33.000   0.3856 0.3315000 0.5403000 
1 1 1  -44   10    9 o   4.8160   0.9362   5.5830   1.0550   4.0500   1.5470 1.533000 1.872000 
1 1 1  -44   10   10 o   43.670   0.3727   43.540   0.5243   43.800   0.5300 -0.2626000 0.7455000 
1 1 1  -44   10   11 o   7.4620   0.7417   8.3990   0.8010   6.5260   1.2490 1.873000 1.483000 
1 1 1  -44   10   12 o   37.070   0.3222   37.080   0.4850   37.070   0.4242 0.1173000E-01 0.6443000 
1 1 1  -44   10   13 o   24.460   0.3376   24.540   0.4794   24.380   0.4754 0.1635000 0.6751000 
1 1 1  -44   10   14 o   8.8460   0.7608   9.9970   0.8755   7.6960   1.2440 2.300000 1.522000 
1 1 1  -44   10   15 o   36.810   0.3650   36.980   0.5237   36.640   0.5085 0.3355000 0.7300000 
1 1 1  -44   10   16 o   16.970   0.3735   16.430   0.5205   17.520   0.5358 -1.087000 0.7470000 
1 1 1  -44   10   17 o   19.750   0.3339   20.050   0.4551   19.450   0.4888 0.6008000 0.6679000 
1 1 1  -44   10   18 o   34.550   0.3025   34.960   0.4331   34.140   0.4225 0.8210000 0.6051000 
1 1 1  -44   10   19 o   16.370   0.3840   15.930   0.5401   16.820   0.5459 -0.8874000 0.7679000 
1 1 1  -44   10   20 o   4.7870   1.0460   3.8490   1.4790   5.7240   1.4800 -1.875000 2.092000 
1 1 1  -44   10   21 o   20.710   0.3831   21.240   0.5187   20.180   0.5639 1.063000 0.7662000 
1 1 1  -44   10   22 o   12.900   0.5626   13.050   0.7385   12.750   0.8489 0.3048000 1.125000 
1 1 1  -44   10   23 o   19.150   0.3985   19.340   0.5170   18.960   0.6066 0.3846000 0.7971000 
1 1 1  -44   10   24 o   4.8030   1.2190   5.0110   1.7290   4.5960   1.7200 0.4155000 2.438000 
1 1 1  -44   10   25 o   3.3480   1.0630   2.9830   1.4430   3.7130   1.5600 -0.7301000 2.125000 
1 1 1  -44   10   26 o   15.950   0.5838   15.920   0.9360   15.980   0.6979 -0.6568000E-01 1.168000 
1 1 1  -44   10   27 o   11.010   0.9562   8.9180   1.7050   13.100   0.8658 -4.185000 1.912000 
1 1 1  -44   10   28 o   11.980   1.0420   10.680   1.8150   13.280   1.0250 -2.606000 2.085000 
1 1 1  -44   10   29 o   11.900   0.7002   10.850   1.0390   12.950   0.9387 -2.104000 1.400000 
1 1 1  -44   10   30 o   4.9580   1.1550   6.5870   1.7310   3.3280   1.5290 3.259000 2.310000 
1 1 1  -44   10   31 o   7.8950   1.2270   8.4770   1.6530   7.3130   1.8140 1.164000 2.454000 
1 1 1  -44   10   32 o   3.1390   1.0340   3.2040   1.4780   3.0730   1.4480 0.1307000 2.069000 
1 1 1  -44   10   33 o   2.4410   0.8538   2.4170   1.1970   2.4640   1.2180 -0.4700000E-01 1.708000 
1 1 1  -44   12    1 o   36.500   0.3401   36.410   0.4746   36.580   0.4873 -0.1679000 0.6803000 
1 1 1  -44   12    2 o   25.160   0.4093   24.190   0.5339   26.130   0.6205 -1.936000 0.8186000 
1 1 1  -44   12    3 o   27.100   0.3874   28.120   0.5238   26.080   0.5708 2.047000 0.7747000 
1 1 1  -44   12    4 o   47.340   0.4893   47.500   0.6938   47.190   0.6902 0.3075000 0.9786000 
1 1 1  -44   12    5 o   20.880   0.4678   20.490   0.6547   21.270   0.6682 -0.7806000 0.9355000 
1 1 1  -44   12    6 o   7.1040   1.1750   6.2430   1.6900   7.9650   1.6330 -1.722000 2.350000 
1 1 1  -44   12    7 o   17.680   0.6596   17.680   0.6596  ?   ?       ?      ? 
1 1 1  -44   12    8 o   22.680   0.3668   22.160   0.5659   23.190   0.4667 -1.021000 0.7335000 
1 1 1  -44   12    9 o   4.1530   1.0620   4.3450   1.4670   3.9620   1.5370 0.3832000 2.125000 
1 1 1  -44   12   10 o   7.4380   0.8081   6.9570   1.0870   7.9190   1.1960 -0.9625000 1.616000 
1 1 1  -44   12   11 o   17.840   0.3529   17.820   0.4652   17.860   0.5307 -0.3816000E-01 0.7057000 
1 1 1  -44   12   12 o   21.630   0.3127   20.970   0.4267   22.290   0.4571 -1.318000 0.6254000 
1 1 1  -44   12   13 o   14.870   0.4283   15.110   0.5758   14.630   0.6343 0.4774000 0.8567000 
1 1 1  -44   12   14 o   14.370   0.7318   13.010   1.2560   15.740   0.7517 -2.731000 1.464000 
1 1 1  -44   12   15 o   9.5510   0.6521   9.3700   0.8964   9.7330   0.9473 -0.3630000 1.304000 
1 1 1  -44   12   16 o   15.660   0.4181   15.960   0.5600   15.360   0.6210 0.5987000 0.8362000 
1 1 1  -44   12   17 o   24.800   0.3170   24.940   0.4379   24.660   0.4584 0.2728000 0.6339000 
1 1 1  -44   12   18 o   27.670   0.3487   27.560   0.4784   27.790   0.5074 -0.2306000 0.6974000 
1 1 1  -44   12   19 o   17.860   0.4368   17.950   0.5731   17.780   0.6594 0.1625000 0.8737000 
1 1 1  -44   12   20 o   14.970   0.4536   15.440   0.5945   14.510   0.6854 0.9208000 0.9073000 
1 1 1  -44   12   21 o   15.550   0.4337   15.140   0.6133   15.970   0.6135 -0.8268000 0.8675000 
1 1 1  -44   12   22 o   14.010   0.4878   13.570   0.6926   14.450   0.6870 -0.8794000 0.9756000 
1 1 1  -44   12   23 o   17.770   0.4545   17.660   0.6088   17.870   0.6749 -0.2168000 0.9089000 
1 1 1  -44   12   24 o   18.080   0.4256   18.230   0.5760   17.920   0.6269 0.3112000 0.8513000 
1 1 1  -44   12   25 o   7.0480   1.0690   6.8770   1.4790   7.2190   1.5440 -0.3417000 2.138000 
1 1 1  -44   12   26 o   12.560   0.6207   12.680   0.8276   12.450   0.9253 0.2313000 1.241000 
1 1 1  -44   12   27 f   9.0410   0.9263   9.5350   1.2300   8.5480   1.3850 0.9871000 1.853000 
1 1 1  -44   12   28 o   12.580   1.2060   13.030   2.1250   12.140   1.1420 0.8894000 2.412000 
1 1 1  -44   12   29 o   4.8540   1.3710   4.8750   2.0070   4.8320   1.8700 0.4366000E-01 2.743000 
1 1 1  -44   12   30 o   2.9870   1.0300   2.8620   1.4230   3.1120   1.4890 -0.2498000 2.059000 
1 1 1  -44   12   31 o   4.3670   1.1860   3.2840   1.5390   5.4500   1.8040 -2.167000 2.371000 
1 1 1  -44   12   32 o   2.3950   0.8423   2.4740   1.2220   2.3160   1.1590 0.1579000 1.685000 
1 1 1  -44   14    1 o   22.860   0.3225   22.310   0.4551   23.410   0.4570 -1.099000 0.6449000 
1 1 1  -44   14    2 o   17.030   0.3717   17.330   0.5136   16.730   0.5374 0.6017000 0.7434000 
1 1 1  -44   14    3 o   18.240   0.3511   18.130   0.4806   18.350   0.5118 -0.2190000 0.7021000 
1 1 1  -44   14    4 o   8.3870   0.7021   7.6010   1.0480   9.1730   0.9347 -1.572000 1.404000 
1 1 1  -44   14    5 o   7.7320   0.7853   7.3750   1.1200   8.0890   1.1000 -0.7141000 1.571000 
1 1 1  -44   14    6 o   19.190   0.3496   19.000   0.4849   19.380   0.5038 -0.3767000 0.6993000 
1 1 1  -44   14    7 o   28.150   0.2990   27.900   0.4153   28.390   0.4304 -0.4886000 0.5981000 
1 1 1  -44   14    8 f   19.550   0.3484   19.620   0.4696   19.480   0.5149 0.1383000 0.6969000 
1 1 1  -44   14    9 o   22.410   0.3198   22.500   0.4338   22.310   0.4701 0.1865000 0.6397000 
1 1 1  -44   14   10 o   12.440   0.5070   12.540   0.6660   12.340   0.7647 0.2010000 1.014000 
1 1 1  -44   14   11 o   17.430   0.3810   17.300   0.5086   17.570   0.5674 -0.2745000 0.7620000 
1 1 1  -44   14   12 o   20.040   0.4256   19.790   0.5811   20.290   0.6221 -0.4988000 0.8512000 
1 1 1  -44   14   13 o   20.470   0.4247   20.530   0.5747   20.420   0.6253 0.1095000 0.8493000 
1 1 1  -44   14   14 o   15.330   0.4604   15.030   0.6574   15.620   0.6446 -0.5876000 0.9207000 
1 1 1  -44   14   15 o   15.060   0.4964   14.760   0.6642   15.370   0.7379 -0.6167000 0.9928000 
1 1 1  -44   14   16 o   15.700   0.4869   15.750   0.6443   15.650   0.7302 0.1019000 0.9738000 
1 1 1  -44   14   17 o   16.530   0.4674   16.900   0.6106   16.160   0.7079 0.7407000 0.9349000 
1 1 1  -44   14   18 o   19.500   0.3809   19.480   0.5210   19.520   0.5557 -0.3178000E-01 0.7618000 
1 1 1  -44   14   19 o   17.620   0.4115   17.520   0.5634   17.730   0.5999 -0.2100000 0.8230000 
1 1 1  -44   14   20 o   25.470   0.3387   25.970   0.4674   24.970   0.4902 0.9968000 0.6773000 
1 1 1  -44   14   21 o   6.1040   1.1020   6.7770   1.4170   5.4300   1.6880 1.346000 2.204000 
1 1 1  -44   14   22 o   16.250   0.5148   17.000   0.6506   15.510   0.7981 1.485000 1.030000 
1 1 1  -44   14   23 o   9.4450   0.8624   8.4890   1.3290   10.400   1.1000 -1.912000 1.725000 
1 1 1  -44   14   24 o   17.840   0.4559   17.370   0.6256   18.310   0.6634 -0.9373000 0.9119000 
1 1 1  -44   14   25 o   3.0140   0.9885   3.4850   1.5300   2.5440   1.2520 0.9408000 1.977000 
1 1 1  -44   14   26 o   9.0460   0.9060   7.6210   1.4210   10.470   1.1250 -2.849000 1.812000 
1 1 1  -44   14   27 o   14.320   0.7729   13.270   1.0670   15.370   1.1180 -2.098000 1.546000 
1 1 1  -44   14   28 o   14.310   0.7121   14.460   0.9977   14.160   1.0160 0.3028000 1.424000 
1 1 1  -44   14   29 o   3.3410   1.0750   3.1880   1.4680   3.4940   1.5720 -0.3063000 2.150000 
1 1 1  -44   14   30 o   3.2420   1.0670   3.5160   1.6070   2.9680   1.4050 0.5481000 2.135000 
1 1 1  -44   14   31 o   4.8840   1.2060   3.4910   1.6700   6.2770   1.7400 -2.786000 2.412000 
1 1 1  -44   16    1 o   16.290   0.4418   16.370   0.6061   16.210   0.6429 0.1566000 0.8836000 
1 1 1  -44   16    2 o   15.940   0.5492   16.310   0.7190   15.570   0.8303 0.7394000 1.098000 
1 1 1  -44   16    3 o   8.2350   0.9371   8.8170   1.1560   7.6530   1.4750 1.163000 1.874000 
1 1 1  -44   16    4 o   18.650   0.4504   18.280   0.6245   19.020   0.6493 -0.7399000 0.9009000 
1 1 1  -44   16    5 o   26.530   0.3743   26.480   0.5128   26.570   0.5454 -0.9468000E-01 0.7486000 
1 1 1  -44   16    6 f   22.620   0.4062   23.010   0.5477   22.220   0.6001 0.7840000 0.8125000 
1 1 1  -44   16    7 o   15.830   0.5150   15.500   0.7027   16.170   0.7532 -0.6632000 1.030000 
1 1 1  -44   16    8 o   12.630   0.7114   12.720   0.9270   12.540   1.0790 0.1804000 1.423000 
1 1 1  -44   16    9 o   13.430   0.6799   14.160   0.8443   12.700   1.0660 1.453000 1.360000 
1 1 1  -44   16   10 o   20.490   0.4950   20.930   0.6512   20.060   0.7458 0.8718000 0.9901000 
1 1 1  -44   16   11 o   15.350   0.5017   15.380   0.6400   15.310   0.7728 0.6916000E-01 1.003000 
1 1 1  -44   16   12 o   17.670   0.4536   18.020   0.5678   17.310   0.7076 0.7162000 0.9073000 
1 1 1  -44   16   13 o   7.3370   0.9383   6.9570   1.2910   7.7170   1.3620 -0.7601000 1.877000 
1 1 1  -44   16   14 o   26.680   0.3252   26.810   0.4399   26.550   0.4790 0.2548000 0.6504000 
1 1 1  -44   16   15 o   8.8550   0.7749   8.6910   1.0390   9.0190   1.1500 -0.3272000 1.550000 
1 1 1  -44   16   16 o   15.740   0.4671   15.610   0.6488   15.880   0.6722 -0.2729000 0.9343000 
1 1 1  -44   16   17 f   12.850   0.5601   13.010   0.7468   12.690   0.8351 0.3174000 1.120000 
1 1 1  -44   16   18 o   9.0340   0.8286   9.7800   0.9994   8.2880   1.3220 1.492000 1.657000 
1 1 1  -44   16   19 o   3.1370   1.0090   3.4580   1.5070   2.8160   1.3420 0.6413000 2.018000 
1 1 1  -44   16   20 o   4.1910   1.1290   4.9580   1.6740   3.4240   1.5170 1.533000 2.259000 
1 1 1  -44   16   21 o   12.070   0.7048   10.730   1.0360   13.420   0.9560 -2.687000 1.410000 
1 1 1  -44   16   22 o   8.5050   0.9644   8.3660   1.3740   8.6450   1.3530 -0.2787000 1.929000 
1 1 1  -44   16   23 o   19.150   0.4698   19.290   0.6639   19.010   0.6650 0.2825000 0.9397000 
1 1 1  -44   16   24 o   3.2440   1.0580   2.9740   1.3980   3.5140   1.5880 -0.5404000 2.116000 
1 1 1  -44   16   25 o   4.5120   1.2210   5.2720   1.8000   3.7520   1.6490 1.519000 2.441000 
1 1 1  -44   16   26 o   5.4710   1.4900   4.1990   1.9380   6.7420   2.2640 -2.543000 2.980000 
1 1 1  -44   16   27 o   12.160   0.8307   12.470   1.1410   11.840   1.2070 0.6295000 1.661000 
1 1 1  -44   16   28 f   11.440   0.8715   9.7550   1.4640   13.130   0.9454 -3.377000 1.743000 
1 1 1  -44   16   29 f   2.6540   0.9166   2.7930   1.3460   2.5140   1.2440 0.2797000 1.833000 
1 1 1  -44   16   30 o   3.2590   1.0500   3.6440   1.5840   2.8740   1.3780 0.7705000 2.099000 
1 1 1  -44   18    1 o   15.050   0.4684   14.930   0.6480   15.170   0.6766 -0.2465000 0.9369000 
1 1 1  -44   18    2 o   6.5720   1.0120   5.2740   1.5910   7.8690   1.2510 -2.594000 2.023000 
1 1 1  -44   18    3 o   5.7670   1.0850   5.9520   1.5070   5.5820   1.5620 0.3697000 2.170000 
1 1 1  -44   18    4 o   14.040   0.5433   13.850   0.6824   14.240   0.8456 -0.3920000 1.087000 
1 1 1  -44   18    5 o   19.220   0.3931   19.010   0.5352   19.420   0.5758 -0.4073000 0.7861000 
1 1 1  -44   18    6 o   12.460   0.5770   12.510   0.7741   12.410   0.8559 0.9835000E-01 1.154000 
1 1 1  -44   18    7 o   20.280   0.3840   20.420   0.5169   20.140   0.5681 0.2868000 0.7681000 
1 1 1  -44   18    8 o   3.5990   1.0760   3.8860   1.5610   3.3110   1.4820 0.5750000 2.152000 
1 1 1  -44   18    9 o   16.480   0.4407   15.710   0.6178   17.240   0.6287 -1.528000 0.8814000 
1 1 1  -44   18   10 o   17.390   0.4362   18.260   0.5541   16.520   0.6739 1.748000 0.8725000 
1 1 1  -44   18   11 o   23.770   0.3504   23.730   0.4757   23.820   0.5145 -0.8707000E-01 0.7007000 
1 1 1  -44   18   12 o   14.250   0.5180   14.220   0.6946   14.270   0.7687 -0.5411000E-01 1.036000 
1 1 1  -44   18   13 o   10.940   0.6702   11.310   0.8651   10.560   1.0240 0.7533000 1.340000 
1 1 1  -44   18   14 o   15.890   0.4857   16.640   0.6202   15.140   0.7476 1.500000 0.9714000 
1 1 1  -44   18   15 o   13.150   0.5744   12.780   0.7950   13.520   0.8293 -0.7388000 1.149000 
1 1 1  -44   18   16 o   9.7820   0.7980   10.390   0.9734   9.1750   1.2650 1.215000 1.596000 
1 1 1  -44   18   17 o   12.650   0.6387   13.180   0.8737   12.120   0.9318 1.055000 1.277000 
1 1 1  -44   18   18 o   8.7690   0.9043   9.3000   1.1580   8.2380   1.3890 1.061000 1.809000 
1 1 1  -44   18   19 o   3.1370   1.0320   2.2950   1.1430   3.9790   1.7180 -1.685000 2.063000 
1 1 1  -44   18   20 o   9.6550   0.9409   10.080   1.2030   9.2300   1.4470 0.8489000 1.882000 
1 1 1  -44   18   21 o   14.510   0.6055   15.150   0.8260   13.870   0.8856 1.286000 1.211000 
1 1 1  -44   18   22 o   5.1980   1.2610   5.4950   1.7610   4.9020   1.8050 0.5927000 2.522000 
1 1 1  -44   18   23 o   12.900   0.7827   13.650   1.0350   12.160   1.1750 1.491000 1.565000 
1 1 1  -44   18   24 o   7.4040   1.3340   8.4560   1.7460   6.3520   2.0160 2.104000 2.667000 
1 1 1  -44   18   25 o   6.9520   1.2580   9.1390   1.6170   4.7650   1.9280 4.374000 2.516000 
1 1 1  -44   18   26 o   3.7720   1.2050   3.2790   1.5600   4.2660   1.8370 -0.9870000 2.410000 
1 1 1  -44   18   27 o   3.2980   1.0640   2.7590   1.3390   3.8360   1.6540 -1.077000 2.128000 
1 1 1  -44   18   28 o   2.1370   0.7666   2.4630   1.2200   1.8110   0.9290 0.6514000 1.533000 
1 1 1  -44   20    1 o   8.3730   0.9859   9.0090   1.1180   7.7380   1.6240 1.271000 1.972000 
1 1 1  -44   20    2 o   15.020   0.5452   15.820   0.6559   14.220   0.8711 1.603000 1.090000 
1 1 1  -44   20    3 o   20.260   0.4361   20.480   0.5411   20.030   0.6840 0.4523000 0.8722000 
1 1 1  -44   20    4 o   14.960   0.6434   16.210   0.6420   13.710   1.1150 2.501000 1.287000 
1 1 1  -44   20    5 o   30.840   0.3352   31.020   0.4569   30.660   0.4905 0.3594000 0.6703000 
1 1 1  -44   20    6 o   18.170   0.4404   17.910   0.5974   18.440   0.6473 -0.5264000 0.8808000 
1 1 1  -44   20    7 o   10.280   0.7204   9.9540   1.0200   10.620   1.0180 -0.6619000 1.441000 
1 1 1  -44   20    8 o   5.0040   1.1930   5.4300   1.6450   4.5790   1.7280 0.8516000 2.386000 
1 1 1  -44   20    9 o   5.0370   1.0420   6.8220   1.4610   3.2520   1.4850 3.571000 2.084000 
1 1 1  -44   20   10 o   5.5620   1.2030   5.9770   1.6110   5.1460   1.7860 0.8302000 2.406000 
1 1 1  -44   20   11 o   20.960   0.4010   20.870   0.5382   21.050   0.5945 -0.1761000 0.8019000 
1 1 1  -44   20   12 o   15.500   0.5101   15.740   0.6577   15.260   0.7798 0.4834000 1.020000 
1 1 1  -44   20   13 o   10.140   0.7814   9.9760   1.0390   10.310   1.1670 -0.3380000 1.563000 
1 1 1  -44   20   14 o   4.2000   1.1970   3.9050   1.6160   4.4950   1.7660 -0.5901000 2.394000 
1 1 1  -44   20   15 o   9.1200   0.8752   9.4320   1.1400   8.8080   1.3290 0.6242000 1.750000 
1 1 1  -44   20   16 o   3.8140   1.1380   4.1800   1.6630   3.4480   1.5550 0.7321000 2.276000 
1 1 1  -44   20   17 o   15.070   0.6321   14.810   0.8804   15.330   0.9071 -0.5222000 1.264000 
1 1 1  -44   20   18 o   3.7050   1.1500   4.4950   1.8120   2.9160   1.4190 1.579000 2.301000 
1 1 1  -44   20   19 o   3.8640   1.1950   4.0670   1.7480   3.6610   1.6310 0.4056000 2.391000 
1 1 1  -44   20   20 o   3.7050   1.1700   4.3760   1.8210   3.0340   1.4690 1.342000 2.339000 
1 1 1  -44   20   21 o   4.6430   1.3360   4.5220   1.8780   4.7650   1.9000 -0.2423000 2.671000 
1 1 1  -44   20   22 o   14.330   0.6108   14.100   0.8778   14.560   0.8496 -0.4570000 1.222000 
1 1 1  -44   20   23 o   4.9920   1.2920   4.8050   1.8210   5.1780   1.8330 -0.3724000 2.584000 
1 1 1  -44   20   24 o   11.220   0.9558   10.440   1.4450   11.990   1.2520 -1.548000 1.912000 
1 1 1  -44   20   25 o   4.8850   1.2620   4.5460   1.7700   5.2230   1.8000 -0.6770000 2.524000 
1 1 1  -44   20   26 o   5.3560   1.1560   3.6920   1.6190   7.0210   1.6510 -3.330000 2.313000 
1 1 1  -44   22    1 o   11.570   0.6969   10.640   1.0320   12.490   0.9368 -1.848000 1.394000 
1 1 1  -44   22    2 o   7.0970   1.1670   7.4340   1.4980   6.7600   1.7900 0.6739000 2.334000 
1 1 1  -44   22    3 o   12.610   0.6956   10.810   1.0270   14.420   0.9384 -3.608000 1.391000 
1 1 1  -44   22    4 o   11.640   1.0250   12.170   0.8864   11.100   1.8490 1.068000 2.050000 
1 1 1  -44   22    5 o   8.8740   1.0660   8.1710   1.3370   9.5760   1.6610 -1.405000 2.133000 
1 1 1  -44   22    6 o   8.0820   1.1990   9.1990   1.1860   6.9650   2.0850 2.234000 2.399000 
1 1 1  -44   22    7 o   3.9080   1.2080   2.9370   1.3830   4.8800   1.9810 -1.943000 2.416000 
1 1 1  -44   22    8 o   5.0530   1.2940   3.6230   1.5730   6.4840   2.0550 -2.861000 2.587000 
1 1 1  -44   22    9 o   5.4980   1.2920   4.8520   1.7190   6.1430   1.9290 -1.290000 2.583000 
1 1 1  -44   22   10 o   5.3050   1.2340   4.6450   1.7170   5.9640   1.7720 -1.319000 2.468000 
1 1 1  -44   22   11 o   13.760   0.5901   14.070   0.7806   13.450   0.8852 0.6212000 1.180000 
1 1 1  -44   22   12 o   7.3070   1.1000   6.7160   1.6080   7.8970   1.5020 -1.181000 2.201000 
1 1 1  -44   22   13 o   9.4870   0.8588   9.6280   1.1520   9.3460   1.2740 0.2817000 1.718000 
1 1 1  -44   22   14 o   3.8890   1.2190   3.4100   1.5830   4.3680   1.8540 -0.9575000 2.438000 
1 1 1  -44   22   15 f   4.4170   1.3830   4.0340   1.8450   4.8010   2.0600 -0.7670000 2.766000 
1 1 1  -44   22   16 o   7.5230   1.5370   7.9050   2.1080   7.1410   2.2370 0.7635000 3.074000 
1 1 1  -44   22   17 o   4.9610   1.3160   3.9060   1.7350   6.0170   1.9800 -2.111000 2.633000 
1 1 1  -44   22   18 o   3.0660   1.0260   2.8210   1.3660   3.3110   1.5330 -0.4903000 2.053000 
1 1 1  -44   22   19 o   5.1610   1.2960   5.3190   1.8260   5.0020   1.8390 0.3163000 2.592000 
1 1 1  -44   22   20 o   5.7900   1.2310   6.9070   1.6850   4.6720   1.7960 2.234000 2.463000 
1 1 1  -44   22   21 o   3.3210   1.0770   3.5090   1.5730   3.1320   1.4710 0.3771000 2.153000 
1 1 1  -44   22   22 o   2.8360   0.9870   2.7420   1.3570   2.9300   1.4340 -0.1878000 1.974000 
1 1 1  -44   22   23 o   3.3810   1.1210   2.8500   1.3980   3.9130   1.7520 -1.063000 2.242000 
1 1 1  -44   22   24 o   3.0970   1.0290   2.2750   1.1490   3.9190   1.7060 -1.644000 2.057000 
1 1 1  -44   24    1 o   5.2950   1.4580   4.1850   1.8920   6.4050   2.2200 -2.220000 2.916000 
1 1 1  -44   24    2 o   3.9760   1.2960   4.1190   1.8750   3.8330   1.7890 0.2864000 2.591000 
1 1 1  -44   24    3 o   6.9280   1.5280   7.6800   2.1620   6.1760   2.1610 1.504000 3.057000 
1 1 1  -44   24    4 o   5.1920   1.5490   5.6360   2.1410   4.7470   2.2390 0.8892000 3.097000 
1 1 1  -44   24    5 o   11.840   1.0790   11.860   1.5040   11.830   1.5490 0.2865000E-01 2.159000 
1 1 1  -44   24    6 o   6.9080   1.4350   4.8540   2.0490   8.9630   2.0080 -4.109000 2.869000 
1 1 1  -44   24    7 o   8.9660   1.3930   7.1230   2.1880   10.810   1.7230 -3.686000 2.786000 
1 1 1  -44   24    8 o   6.9720   1.6690   6.3380   2.1820   7.6050   2.5260 -1.267000 3.338000 
1 1 1  -44   24    9 o   4.6210   1.4230   5.5890   2.2090   3.6520   1.7940 1.937000 2.846000 
1 1 1  -44   24   10 o   7.9430   1.6870   7.0230   2.2730   8.8630   2.4940 -1.840000 3.374000 
1 1 1  -44   24   11 o   6.2690   1.6560   6.6930   2.2300   5.8450   2.4490 0.8482000 3.312000 
1 1 1  -44   24   12 o   5.6890   1.2470   7.7860   1.8370   3.5920   1.6860 4.194000 2.493000 
1 1 1  -44   24   13 o   4.6780   1.2690   3.1690   1.4730   6.1870   2.0670 -3.018000 2.538000 
1 1 1  -44   24   14 o   3.5850   1.1380   3.1100   1.4590   4.0600   1.7470 -0.9495000 2.276000 
1 1 1  -44   24   15 o   5.4010   1.1490   7.1870   1.6400   3.6150   1.6080 3.572000 2.297000 
1 1 1  -44   24   16 o   5.5060   1.2900   5.7100   1.8120   5.3020   1.8360 0.4078000 2.580000 
1 1 1  -44   24   17 o   3.3240   1.0630   2.5010   1.2360   4.1470   1.7310 -1.645000 2.127000 
1 1 1  -44   24   18 o   2.7050   0.9325   2.5830   1.2670   2.8280   1.3680 -0.2441000 1.865000 
1 1 1  -44   24   19 o   2.4720   0.8676   2.4010   1.1950   2.5430   1.2580 -0.1423000 1.735000 
1 1 1  -44   24   20 o   2.9240   1.0080   3.0740   1.4800   2.7750   1.3700 0.2995000 2.017000 
1 1 1  -44   24   21 o   3.1900   1.0960   3.4620   1.6480   2.9190   1.4450 0.5434000 2.192000 
1 1 1  -44   24   22 o   2.1320   0.7815   2.2330   1.1540   2.0300   1.0540 0.2020000 1.563000 
1 1 1  -44   26    1 o   5.5520   1.3140   4.8520   1.8060   6.2520   1.9080 -1.400000 2.628000 
1 1 1  -44   26    2 f   5.5870   1.2940   6.0230   1.7770   5.1510   1.8820 0.8716000 2.588000 
1 1 1  -44   26    3 o   3.8610   1.1790   3.4850   1.5660   4.2380   1.7630 -0.7536000 2.358000 
1 1 1  -44   26    4 o   3.6950   1.1800   3.5140   1.5720   3.8750   1.7610 -0.3609000 2.361000 
1 1 1  -44   26    5 o   3.2180   1.0640   2.9440   1.4050   3.4930   1.6000 -0.5492000 2.129000 
1 1 1  -44   26    6 o   3.8630   1.1760   4.2940   1.7400   3.4320   1.5830 0.8618000 2.352000 
1 1 1  -44   26    7 o   5.2180   1.3040   4.6590   1.7910   5.7770   1.8950 -1.118000 2.608000 
1 1 1  -44   26    8 o   4.9030   1.2840   5.0190   1.8000   4.7870   1.8310 0.2320000 2.567000 
1 1 1  -44   26    9 o   7.2300   1.1520   6.0710   1.7650   8.3900   1.4800 -2.319000 2.304000 
1 1 1  -44   26   10 o   9.4840   0.9532   11.190   1.0610   7.7750   1.5840 3.420000 1.906000 
1 1 1  -44   26   11 o   4.7640   1.1640   6.2950   1.7770   3.2320   1.5050 3.063000 2.329000 
1 1 1  -44   26   12 f   3.6330   1.1310   4.0090   1.6870   3.2570   1.5080 0.7520000 2.263000 
1 1 1  -44   26   13 o   7.0450   1.2650   8.0700   1.4700   6.0200   2.0590 2.050000 2.530000 
1 1 1  -44   26   14 o   3.5640   1.1390   3.8250   1.6430   3.3030   1.5790 0.5217000 2.279000 
1 1 1  -44   26   15 o   3.2140   1.0670   3.4560   1.5540   2.9720   1.4640 0.4839000 2.135000 
1 1 1  -44   26   16 o   3.1590   1.1100   2.9410   1.4500   3.3780   1.6810 -0.4369000 2.220000 
1 1 1  -44   26   17 o   2.9080   1.0210   3.3300   1.5920   2.4870   1.2790 0.8432000 2.042000 
1 1 1  -44   26   18 f   3.4160   1.1480   3.3200   1.5900   3.5120   1.6560 -0.1919000 2.296000 
1 1 1  -44   28    1 o   3.3140   1.1370   2.6700   1.3460   3.9580   1.8330 -1.287000 2.274000 
1 1 1  -44   28    2 o   2.9350   1.0320   2.5200   1.2770   3.3490   1.6210 -0.8286000 2.063000 
1 1 1  -44   28    3 o   3.4790   1.1630   3.3710   1.5710   3.5870   1.7140 -0.2164000 2.326000 
1 1 1  -44   28    4 o   4.8670   1.3770   5.1310   1.9050   4.6040   1.9880 0.5274000 2.754000 
1 1 1  -44   28    5 o   2.9970   1.0250   2.9520   1.4300   3.0420   1.4700 -0.8947000E-01 2.051000 
1 1 1  -44   28    6 o   3.4170   1.1190   3.6080   1.6370   3.2250   1.5250 0.3825000 2.238000 
1 1 1  -44   28    7 o   3.6430   1.1620   3.9910   1.7350   3.2940   1.5470 0.6970000 2.324000 
1 1 1  -44   28    8 o   4.4790   1.2310   5.6300   1.9120   3.3270   1.5500 2.303000 2.462000 
1 1 1  -44   28    9 o   2.9520   1.0070   3.4030   1.5690   2.5020   1.2630 0.9010000 2.014000 
1 1 1  -44   28   10 o   2.8810   1.0070   3.0180   1.4780   2.7440   1.3680 0.2736000 2.014000 
1 1 1  -44   28   11 o   2.7960   1.3890   2.7960   1.3890  ?   ?       ?      ? 
1 1 1  -44   28   12 o   2.7330   0.9620   2.7450   1.3680   2.7200   1.3530 0.2474000E-01 1.924000 
1 1 1  -44   28   13 o   2.9590   1.0090   2.7240   1.3390   3.1940   1.5110 -0.4700000 2.019000 
1 1 1  -43    1    1 o   67.990   0.5459   67.980   0.6254   68.010   0.8949 -0.3323000E-01 1.092000 
1 1 1  -43    1    2 o   21.510   0.6219   21.510   0.6219  ?   ?       ?      ? 
1 1 1  -43    1    3 o   56.430   0.5356   56.240   0.7491   56.620   0.7656 -0.3815000 1.071000 
1 1 1  -43    1    4 o   35.160   0.3801   34.970   0.4621   35.350   0.6037 -0.3810000 0.7602000 
1 1 1  -43    1    5 o   9.6750   0.8430   9.2350   1.0690   10.120   1.3040 -0.8811000 1.686000 
1 1 1  -43    1    6 f   26.870   0.3647   26.530   0.4657   27.210   0.5615 -0.6817000 0.7295000 
1 1 1  -43    1    7 o   27.660   0.3480   26.960   0.4420   28.360   0.5376 -1.397000 0.6959000 
1 1 1  -43    1    8 o   9.7570   1.0450   6.2630   1.9750   13.250   0.6866 -6.989000 2.091000 
1 1 1  -43    1    9 f   49.490   0.4088   49.790   0.6675   49.200   0.4722 0.5902000 0.8176000 
1 1 1  -43    1   10 o   49.560   0.4102   49.520   0.6680   49.590   0.4764 -0.7047000E-01 0.8205000 
1 1 1  -43    1   11 o   26.960   0.3215   27.790   0.5190   26.120   0.3798 1.666000 0.6431000 
1 1 1  -43    1   12 o   40.170   0.3778   39.950   0.5845   40.400   0.4788 -0.4549000 0.7556000 
1 1 1  -43    1   13 o   11.490   0.5884   11.850   0.8993   11.120   0.7589 0.7281000 1.177000 
1 1 1  -43    1   14 f   22.090   0.3392   22.500   0.4896   21.680   0.4696 0.8190000 0.6784000 
1 1 1  -43    1   15 o   41.770   0.3049   41.570   0.4313   41.970   0.4310 -0.3984000 0.6097000 
1 1 1  -43    1   16 o   24.570   0.2802   24.590   0.3969   24.540   0.3957 0.4835000E-01 0.5604000 
1 1 1  -43    1   17 o   38.540   0.2944   38.260   0.4165   38.820   0.4161 -0.5613000 0.5887000 
1 1 1  -43    1   18 o   14.710   0.3780   14.660   0.5330   14.750   0.5362 -0.9388000E-01 0.7560000 
1 1 1  -43    1   19 o   19.680   0.3088   19.320   0.4367   20.050   0.4367 -0.7287000 0.6176000 
1 1 1  -43    1   20 o   9.3100   0.5785   9.7150   0.7762   8.9050   0.8580 0.8104000 1.157000 
1 1 1  -43    1   21 o   14.690   0.3873   15.120   0.5301   14.260   0.5647 0.8645000 0.7746000 
1 1 1  -43    1   22 o   4.1050   1.0970   4.0770   1.5840   4.1320   1.5190 -0.5567000E-01 2.194000 
1 1 1  -43    1   23 o   12.590   0.5242   12.890   0.6970   12.280   0.7831 0.6176000 1.048000 
1 1 1  -43    1   24 o   18.570   0.3510   18.980   0.4897   18.150   0.5030 0.8300000 0.7020000 
1 1 1  -43    1   25 o   12.520   0.5237   12.720   0.7671   12.320   0.7133 0.3989000 1.047000 
1 1 1  -43    1   26 o   5.0660   1.1060   4.7080   1.5820   5.4240   1.5460 -0.7163000 2.212000 
1 1 1  -43    1   27 o   12.150   0.6629   12.210   0.9080   12.080   0.9662 0.1308000 1.326000 
1 1 1  -43    1   28 o   13.820   0.6075   14.270   0.8609   13.370   0.8573 0.8957000 1.215000 
1 1 1  -43    1   29 o   11.860   0.6198   12.320   0.8520   11.400   0.9004 0.9229000 1.240000 
1 1 1  -43    1   30 o   4.2180   1.1880   4.2790   1.7010   4.1560   1.6580 0.1236000 2.375000 
1 1 1  -43    1   31 o   11.910   0.6772   11.980   0.9593   11.840   0.9562 0.1405000 1.354000 
1 1 1  -43    1   32 o   10.150   0.8388   9.7200   1.2370   10.570   1.1330 -0.8522000 1.678000 
1 1 1  -43    1   33 o   8.6950   0.9890   9.4010   1.2680   7.9900   1.5180 1.411000 1.978000 
1 1 1  -43    1   34 o   7.3280   1.1540   8.3870   1.4600   6.2690   1.7890 2.118000 2.309000 
1 1 1  -43    1   35 o   12.810   0.8805   13.250   1.1790   12.380   1.3080 0.8666000 1.761000 
1 1 1  -43    3    1 o   27.300   0.3793   27.650   0.5423   26.950   0.5305 0.7015000 0.7586000 
1 1 1  -43    3    2 f   18.210   0.4460   19.170   0.6219   17.240   0.6394 1.938000 0.8920000 
1 1 1  -43    3    3 o   51.170   0.3467   50.910   0.4871   51.430   0.4934 -0.5218000 0.6933000 
1 1 1  -43    3    4 o   59.760   0.5727   59.110   0.7962   60.410   0.8235 -1.295000 1.145000 
1 1 1  -43    3    5 o   43.940   0.5735   44.720   0.6634   43.160   0.9356 1.553000 1.147000 
1 1 1  -43    3    6 o   53.650   0.5222   53.510   0.7381   53.790   0.7390 -0.2843000 1.044000 
1 1 1  -43    3    7 o   25.500   0.3599   25.250   0.6353   25.740   0.3385 -0.4917000 0.7198000 
1 1 1  -43    3    8 o   21.570   0.3093   22.060   0.4015   21.090   0.4708 0.9722000 0.6187000 
1 1 1  -43    3    9 o   39.450   0.3739   39.210   0.4591   39.690   0.5903 -0.4764000 0.7478000 
1 1 1  -43    3   10 o   15.900   0.4813   16.340   0.6556   15.470   0.7048 0.8786000 0.9626000 
1 1 1  -43    3   11 o   67.800   0.4410   67.650   0.6238   67.950   0.6234 -0.2967000 0.8819000 
1 1 1  -43    3   12 o   27.180   0.2752   26.880   0.3980   27.480   0.3802 -0.6013000 0.5504000 
1 1 1  -43    3   13 o   38.770   0.3551   38.810   0.5773   38.730   0.4136 0.8401000E-01 0.7102000 
1 1 1  -43    3   14 o   36.250   0.3475   36.660   0.5687   35.850   0.3994 0.8094000 0.6949000 
1 1 1  -43    3   15 o   14.270   0.7308   14.980   1.3070   13.570   0.6547 1.404000 1.462000 
1 1 1  -43    3   16 o   16.490   0.4321   16.340   0.7141   16.640   0.4866 -0.2984000 0.8641000 
1 1 1  -43    3   17 o   32.520   0.3509   32.070   0.5771   32.980   0.3993 -0.9105000 0.7018000 
1 1 1  -43    3   18 o   60.920   0.4407   60.910   0.6696   60.930   0.5731 -0.2581000E-01 0.8814000 
1 1 1  -43    3   19 o   32.570   0.2821   32.610   0.4038   32.540   0.3942 0.7518000E-01 0.5643000 
1 1 1  -43    3   20 o   21.410   0.3017   21.530   0.4322   21.280   0.4209 0.2552000 0.6033000 
1 1 1  -43    3   21 o   13.730   0.4921   13.800   0.7316   13.660   0.6584 0.1373000 0.9842000 
1 1 1  -43    3   22 o   4.5320   1.0520   4.5520   1.4960   4.5120   1.4790 0.3986000E-01 2.103000 
1 1 1  -43    3   23 o   19.320   0.3756   19.660   0.5023   18.970   0.5586 0.6890000 0.7512000 
1 1 1  -43    3   24 o   27.020   0.3135   26.380   0.4568   27.670   0.4294 -1.288000 0.6270000 
1 1 1  -43    3   25 o   22.790   0.3233   22.350   0.4578   23.220   0.4567 -0.8612000 0.6466000 
1 1 1  -43    3   26 o   33.040   0.3607   33.230   0.5086   32.850   0.5117 0.3729000 0.7215000 
1 1 1  -43    3   27 f   18.690   0.3946   18.640   0.5621   18.740   0.5539 -0.1013000 0.7892000 
1 1 1  -43    3   28 o   3.9780   1.1760   4.6120   1.7970   3.3440   1.5190 1.268000 2.353000 
1 1 1  -43    3   29 o   8.2480   0.9201   9.0850   1.1670   7.4100   1.4230 1.675000 1.840000 
1 1 1  -43    3   30 o   14.410   0.5561   14.900   0.7479   13.920   0.8233 0.9845000 1.112000 
1 1 1  -43    3   31 f   4.4620   1.2190   3.9080   1.6510   5.0160   1.7950 -1.108000 2.439000 
1 1 1  -43    3   32 o   16.340   0.5221   15.670   0.7583   17.010   0.7178 -1.345000 1.044000 
1 1 1  -43    3   33 o   15.500   0.5495   15.490   0.7670   15.510   0.7871 -0.2113000E-01 1.099000 
1 1 1  -43    3   34 o   13.880   0.6758   13.770   0.9638   14.000   0.9476 -0.2288000 1.352000 
1 1 1  -43    3   35 o   3.0340   1.0100   3.2400   1.4880   2.8280   1.3660 0.4125000 2.020000 
1 1 1  -43    5    1 o   48.910   0.3401   48.700   0.4742   49.110   0.4875 -0.4093000 0.6801000 
1 1 1  -43    5    2 o   63.740   0.6097   63.380   0.8503   64.100   0.8741 -0.7173000 1.219000 
1 1 1  -43    5    3 o   19.170   0.6226   19.710   0.7918   18.630   0.9611 1.079000 1.245000 
1 1 1  -43    5    4 o   19.210   0.6209   19.140   0.8214   19.290   0.9313 -0.1499000 1.242000 
1 1 1  -43    5    5 o   40.230   0.4623   40.620   0.6514   39.840   0.6560 0.7748000 0.9245000 
1 1 1  -43    5    6 o   40.510   0.4627   40.630   0.6507   40.400   0.6581 0.2367000 0.9255000 
1 1 1  -43    5    7 o   60.270   0.5783   59.430   0.8080   61.100   0.8275 -1.669000 1.157000 
1 1 1  -43    5    8 o   40.380   0.4562   39.960   0.6430   40.810   0.6473 -0.8556000 0.9124000 
1 1 1  -43    5    9 o   31.490   0.3638   31.060   0.6231   31.930   0.3757 -0.8710000 0.7276000 
1 1 1  -43    5   10 o   55.360   0.4032   54.940   0.5225   55.790   0.6143 -0.8553000 0.8065000 
1 1 1  -43    5   11 o   37.090   0.3910   36.720   0.4733   37.460   0.6226 -0.7377000 0.7821000 
1 1 1  -43    5   12 o   54.010   0.3656   53.680   0.5166   54.340   0.5173 -0.6576000 0.7311000 
1 1 1  -43    5   13 o   30.720   0.3077   31.200   0.4010   30.230   0.4667 0.9695000 0.6153000 
1 1 1  -43    5   14 o   13.360   0.4195   13.300   0.5971   13.420   0.5893 -0.1183000 0.8390000 
1 1 1  -43    5   15 o   28.600   0.3418   28.940   0.4989   28.250   0.4674 0.6806000 0.6836000 
1 1 1  -43    5   16 o   15.720   0.4719   15.150   0.7223   16.280   0.6074 -1.136000 0.9437000 
1 1 1  -43    5   17 o   27.730   0.2819   27.860   0.4015   27.590   0.3958 0.2763000 0.5638000 
1 1 1  -43    5   18 o   46.330   0.4052   46.120   0.6623   46.540   0.4669 -0.4270000 0.8103000 
1 1 1  -43    5   19 o   19.800   0.4048   19.230   0.6363   20.370   0.5005 -1.142000 0.8096000 
1 1 1  -43    5   20 o   7.5840   0.9685   7.9060   1.4510   7.2620   1.2830 0.6440000 1.937000 
1 1 1  -43    5   21 o   14.480   0.4900   15.140   0.7751   13.810   0.5998 1.339000 0.9801000 
1 1 1  -43    5   22 o   19.960   0.3682   19.710   0.5754   20.210   0.4595 -0.5020000 0.7363000 
1 1 1  -43    5   23 f   16.770   0.4044   17.080   0.5266   16.470   0.6137 0.6096000 0.8087000 
1 1 1  -43    5   24 o   16.680   0.4293   17.310   0.5635   16.050   0.6479 1.263000 0.8587000 
1 1 1  -43    5   25 o   12.860   0.5855   14.220   0.7032   11.500   0.9365 2.717000 1.171000 
1 1 1  -43    5   26 o   30.380   0.3127   30.340   0.4459   30.420   0.4386 -0.8328000E-01 0.6254000 
1 1 1  -43    5   27 o   8.0600   0.8413   7.4580   1.2590   8.6620   1.1160 -1.204000 1.683000 
1 1 1  -43    5   28 o   10.810   0.7759   10.920   1.0770   10.690   1.1170 0.2313000 1.552000 
1 1 1  -43    5   29 o   4.9710   1.2010   5.5260   1.6870   4.4160   1.7090 1.110000 2.401000 
1 1 1  -43    5   30 o   3.4110   1.0780   3.0990   1.4350   3.7230   1.6100 -0.6240000 2.156000 
1 1 1  -43    5   31 f   3.3660   1.0700   3.7490   1.6060   2.9840   1.4140 0.7652000 2.139000 
1 1 1  -43    5   32 f   3.1400   1.0300   3.3340   1.5070   2.9460   1.4050 0.3879000 2.060000 
1 1 1  -43    5   33 o   3.8420   1.1670   3.3940   1.5660   4.2910   1.7310 -0.8962000 2.334000 
1 1 1  -43    5   34 o   2.2340   0.7995   2.2840   1.1520   2.1850   1.1090 0.9951000E-01 1.599000 
1 1 1  -43    7    1 o   16.970   0.3357   17.330   0.4607   16.620   0.4885 0.7100000 0.6715000 
1 1 1  -43    7    2 o   17.110   0.7470   16.490   1.0010   17.730   1.1090 -1.242000 1.494000 
1 1 1  -43    7    3 o   33.050   0.4892   33.590   0.6559   32.520   0.7261 1.071000 0.9784000 
1 1 1  -43    7    4 o   33.650   0.6009   33.890   0.6604   33.410   1.0040 0.4870000 1.202000 
1 1 1  -43    7    5 f   18.410   0.6426   17.820   0.9159   19.000   0.9016 -1.188000 1.285000 
1 1 1  -43    7    6 o   14.800   0.7679   14.480   1.0870   15.130   1.0850 -0.6504000 1.536000 
1 1 1  -43    7    7 f   33.740   0.4598   33.890   0.6461   33.590   0.6543 0.2985000 0.9196000 
1 1 1  -43    7    8 f   9.9110   1.1370   10.340   1.5020   9.4780   1.7080 0.8657000 2.274000 
1 1 1  -43    7    9 f   62.690   0.6017   62.860   0.8506   62.510   0.8514 0.3491000 1.203000 
1 1 1  -43    7   10 o   44.320   0.3183   44.630   0.4545   44.020   0.4457 0.6122000 0.6366000 
1 1 1  -43    7   11 o   35.900   0.3349   36.030   0.4740   35.770   0.4733 0.2533000 0.6698000 
1 1 1  -43    7   12 o   20.070   0.3080   20.530   0.4369   19.610   0.4343 0.9243000 0.6160000 
1 1 1  -43    7   13 o   31.860   0.2840   31.880   0.4071   31.830   0.3961 0.5100000E-01 0.5680000 
1 1 1  -43    7   14 o   24.670   0.2909   24.940   0.4166   24.400   0.4061 0.5398000 0.5818000 
1 1 1  -43    7   15 o   15.320   0.5170   14.340   0.8090   16.290   0.6439 -1.950000 1.034000 
1 1 1  -43    7   16 o   23.270   0.3749   23.390   0.5457   23.150   0.5142 0.2419000 0.7498000 
1 1 1  -43    7   17 o   19.740   0.3955   20.920   0.5722   18.560   0.5461 2.356000 0.7909000 
1 1 1  -43    7   18 o   14.770   0.4563   14.100   0.6745   15.440   0.6148 -1.340000 0.9127000 
1 1 1  -43    7   19 o   4.9250   1.0120   4.3180   1.4550   5.5330   1.4070 -1.215000 2.024000 
1 1 1  -43    7   20 o   11.050   0.5067   11.270   0.6921   10.830   0.7404 0.4405000 1.013000 
1 1 1  -43    7   21 o   3.8590   1.0030   3.0560   1.3270   4.6610   1.5030 -1.605000 2.005000 
1 1 1  -43    7   22 o   9.6590   0.7772   8.9220   1.3300   10.400   0.8038 -1.475000 1.554000 
1 1 1  -43    7   23 f   13.340   0.5682   14.180   0.8764   12.490   0.7233 1.695000 1.136000 
1 1 1  -43    7   24 o   18.220   0.5602   18.210   0.8510   18.230   0.7288 -0.2007000E-01 1.120000 
1 1 1  -43    7   25 f   12.700   0.6422   12.230   1.0560   13.170   0.7307 -0.9389000 1.284000 
1 1 1  -43    7   26 f   2.9460   0.9543   2.4640   1.1950   3.4270   1.4890 -0.9625000 1.909000 
1 1 1  -43    7   27 o   7.4040   0.9510   7.6660   1.2450   7.1420   1.4380 0.5241000 1.902000 
1 1 1  -43    7   28 o   17.440   0.5291   17.810   0.7409   17.070   0.7557 0.7354000 1.058000 
1 1 1  -43    7   29 o   9.5210   1.0140   7.2100   1.7720   11.830   0.9875 -4.621000 2.029000 
1 1 1  -43    7   30 o   6.1110   1.2170   5.8910   1.6810   6.3320   1.7600 -0.4409000 2.434000 
1 1 1  -43    7   31 f   12.030   0.6927   12.080   0.9289   11.990   1.0280 0.9119000E-01 1.385000 
1 1 1  -43    7   32 o   6.4370   1.2450   6.1750   1.7430   6.6990   1.7770 -0.5239000 2.489000 
1 1 1  -43    7   33 o   5.1400   1.3170   5.8320   1.9000   4.4480   1.8240 1.385000 2.634000 
1 1 1  -43    7   34 o   4.7270   1.2500   4.7750   1.7730   4.6790   1.7640 0.9578000E-01 2.501000 
1 1 1  -43    9    1 o   40.520   0.3802   40.770   0.5305   40.270   0.5447 0.4980000 0.7604000 
1 1 1  -43    9    2 o   32.910   0.3524   32.970   0.4927   32.840   0.5041 0.1262000 0.7049000 
1 1 1  -43    9    3 o   51.450   0.4794   51.190   0.7462   51.700   0.6021 -0.5086000 0.9588000 
1 1 1  -43    9    4 o   26.040   0.7501  ?   ?    26.040   0.7501      ?      ? 
1 1 1  -43    9    5 o   26.280   0.5152   24.580   0.7373   27.970   0.7199 -3.384000 1.030000 
1 1 1  -43    9    6 o   8.8540   1.3010   8.3240   1.8600   9.3840   1.8190 -1.060000 2.602000 
1 1 1  -43    9    7 f   15.970   0.7228   16.490   0.9646   15.450   1.0770 1.046000 1.446000 
1 1 1  -43    9    8 o   18.130   0.4831   17.860   0.8932   18.400   0.3684 -0.5476000 0.9662000 
1 1 1  -43    9    9 o   30.780   0.2642   30.610   0.3677   30.950   0.3794 -0.3402000 0.5284000 
1 1 1  -43    9   10 f   8.4570   0.6795   8.6460   0.8468   8.2680   1.0630 0.3780000 1.359000 
1 1 1  -43    9   11 o   5.4360   0.9582   5.2730   1.3390   5.5990   1.3710 -0.3266000 1.916000 
1 1 1  -43    9   12 o   20.050   0.3142   19.560   0.4412   20.530   0.4473 -0.9701000 0.6283000 
1 1 1  -43    9   13 o   10.090   0.5699   10.060   0.7957   10.130   0.8161 -0.6735000E-01 1.140000 
1 1 1  -43    9   14 o   10.400   0.5604   10.740   0.7449   10.050   0.8374 0.6847000 1.121000 
1 1 1  -43    9   15 o   15.210   0.6946   14.600   1.0820   15.810   0.8710 -1.212000 1.389000 
1 1 1  -43    9   16 o   19.780   0.3794   19.310   0.5352   20.260   0.5378 -0.9579000 0.7588000 
1 1 1  -43    9   17 f   23.940   0.3047   23.770   0.4271   24.120   0.4347 -0.3556000 0.6094000 
1 1 1  -43    9   18 o   14.040   0.4273   13.060   0.6234   15.030   0.5846 -1.963000 0.8547000 
1 1 1  -43    9   19 o   21.730   0.3165   21.500   0.4475   21.950   0.4477 -0.4527000 0.6330000 
1 1 1  -43    9   20 f   15.780   0.3951   15.510   0.5532   16.050   0.5643 -0.5462000 0.7903000 
1 1 1  -43    9   21 o   41.190   0.3200   41.270   0.4548   41.110   0.4504 0.1632000 0.6401000 
1 1 1  -43    9   22 o   13.110   0.5427   13.610   0.7003   12.620   0.8293 0.9876000 1.085000 
1 1 1  -43    9   23 o   4.0690   1.1190   4.7720   1.6260   3.3670   1.5380 1.405000 2.238000 
1 1 1  -43    9   24 o   8.7080   0.8100   8.3540   1.1120   9.0630   1.1780 -0.7097000 1.620000 
1 1 1  -43    9   25 o   10.680   0.6719   11.130   0.9470   10.230   0.9535 0.9062000 1.344000 
1 1 1  -43    9   26 o   8.2300   1.1060   6.2120   1.9780   10.250   0.9900 -4.036000 2.212000 
1 1 1  -43    9   27 o   14.980   0.6132   14.890   0.9877   15.080   0.7270 -0.1840000 1.226000 
1 1 1  -43    9   28 f   7.9410   1.3890   5.4600   2.4540   10.420   1.3030 -4.961000 2.779000 
1 1 1  -43    9   29 o   15.590   0.6007   15.250   0.9254   15.930   0.7661 -0.6772000 1.201000 
1 1 1  -43    9   30 o   11.290   0.7648   12.220   0.9410   10.350   1.2060 1.868000 1.530000 
1 1 1  -43    9   31 o   5.9030   1.3370   5.9700   1.9300   5.8370   1.8490 0.1334000 2.673000 
1 1 1  -43    9   32 o   3.2240   1.0720   3.6310   1.6450   2.8160   1.3750 0.8145000 2.144000 
1 1 1  -43    9   33 o   2.7000   0.9252   2.7560   1.3290   2.6440   1.2880 0.1123000 1.850000 
1 1 1  -43   11    1 o   19.860   0.4574   19.940   0.6528   19.770   0.6409 0.1717000 0.9148000 
1 1 1  -43   11    2 o   31.430   0.3307   31.690   0.5148   31.160   0.4152 0.5282000 0.6614000 
1 1 1  -43   11    3 o   17.350   0.4687   17.180   0.6611   17.520   0.6646 -0.3446000 0.9374000 
1 1 1  -43   11    4 o   28.100   0.3646   28.000   0.4983   28.200   0.5324 -0.1976000 0.7292000 
1 1 1  -43   11    5 o   28.950   0.3168   28.650   0.3754   29.250   0.5105 -0.5980000 0.6337000 
1 1 1  -43   11    6 o   37.010   0.3252   36.470   0.4015   37.550   0.5116 -1.081000 0.6503000 
1 1 1  -43   11    7 o   42.220   0.3725   41.860   0.5182   42.580   0.5353 -0.7220000 0.7450000 
1 1 1  -43   11    8 o   38.650   0.3941   39.630   0.5045   37.680   0.6057 1.951000 0.7882000 
1 1 1  -43   11    9 o   41.110   0.3774   41.130   0.6110   41.080   0.4433 0.4811000E-01 0.7548000 
1 1 1  -43   11   10 o   38.490   0.3397   38.440   0.4737   38.550   0.4871 -0.1114000 0.6794000 
1 1 1  -43   11   11 o   32.380   0.3278   32.580   0.4524   32.180   0.4745 0.4045000 0.6556000 
1 1 1  -43   11   12 o   14.320   0.4946   14.850   0.6489   13.790   0.7466 1.055000 0.9892000 
1 1 1  -43   11   13 o   22.520   0.3449   22.490   0.4436   22.550   0.5281 -0.6301000E-01 0.6897000 
1 1 1  -43   11   14 o   16.070   0.5241   16.170   0.7447   15.980   0.7376 0.1927000 1.048000 
1 1 1  -43   11   15 o   10.390   0.7716   10.090   1.1400   10.680   1.0410 -0.5889000 1.543000 
1 1 1  -43   11   16 o   6.2150   0.9601   4.7090   1.5010   7.7210   1.1970 -3.012000 1.920000 
1 1 1  -43   11   17 o   10.130   0.6067   10.290   0.7960   9.9750   0.9157 0.3184000 1.213000 
1 1 1  -43   11   18 o   13.750   0.4528   14.480   0.5923   13.030   0.6851 1.455000 0.9056000 
1 1 1  -43   11   19 o   20.170   0.3433   19.710   0.4780   20.630   0.4930 -0.9193000 0.6867000 
1 1 1  -43   11   20 o   15.450   0.4660   15.590   0.6279   15.300   0.6888 0.2972000 0.9320000 
1 1 1  -43   11   21 o   16.900   0.4499   16.970   0.6033   16.820   0.6676 0.1561000 0.8998000 
1 1 1  -43   11   22 o   26.070   0.3211   26.350   0.4499   25.800   0.4584 0.5461000 0.6423000 
1 1 1  -43   11   23 o   12.730   0.5726   11.990   0.7895   13.470   0.8295 -1.482000 1.145000 
1 1 1  -43   11   24 o   8.4050   0.8253   8.1010   1.1740   8.7090   1.1610 -0.6079000 1.651000 
1 1 1  -43   11   25 o   6.5780   1.0930   6.7750   1.4670   6.3810   1.6210 0.3945000 2.186000 
1 1 1  -43   11   26 o   9.5220   0.7752   9.4600   1.0460   9.5840   1.1440 -0.1243000 1.550000 
1 1 1  -43   11   27 o   6.0420   1.1360   4.4430   1.6860   7.6410   1.5230 -3.198000 2.272000 
1 1 1  -43   11   28 o   13.540   1.0090  ?   ?    13.540   1.0090      ?      ? 
1 1 1  -43   11   29 o   17.110   0.6205   16.310   1.0170   17.900   0.7111 -1.594000 1.241000 
1 1 1  -43   11   30 o   10.350   1.0790   9.6940   1.7300   11.010   1.2890 -1.314000 2.157000 
1 1 1  -43   11   31 o   4.9430   1.3980   5.5380   2.1140   4.3470   1.8300 1.191000 2.796000 
1 1 1  -43   11   32 o   3.3740   1.0990   3.8610   1.7090   2.8860   1.3830 0.9752000 2.199000 
1 1 1  -43   11   33 o   3.3250   1.1000   3.6520   1.6370   2.9980   1.4690 0.6536000 2.200000 
1 1 1  -43   13    1 o   31.400   0.3034   31.220   0.4255   31.590   0.4325 -0.3660000 0.6067000 
1 1 1  -43   13    2 o   18.650   0.3483   18.620   0.4864   18.680   0.4986 -0.5448000E-01 0.6966000 
1 1 1  -43   13    3 o   19.080   0.3270   19.220   0.4607   18.950   0.4642 0.2626000 0.6540000 
1 1 1  -43   13    4 o   14.600   0.4102   14.370   0.5691   14.830   0.5908 -0.4590000 0.8203000 
1 1 1  -43   13    5 o   17.520   0.3629   17.750   0.4950   17.280   0.5309 0.4745000 0.7259000 
1 1 1  -43   13    6 o   21.240   0.3244   20.750   0.4509   21.730   0.4666 -0.9797000 0.6489000 
1 1 1  -43   13    7 o   17.950   0.3652   18.260   0.4893   17.640   0.5424 0.6261000 0.7305000 
1 1 1  -43   13    8 o   21.010   0.3237   20.530   0.4501   21.500   0.4653 -0.9687000 0.6474000 
1 1 1  -43   13    9 f   22.370   0.3192   22.170   0.4343   22.580   0.4678 -0.4137000 0.6383000 
1 1 1  -43   13   10 o   43.950   0.3264   43.630   0.4551   44.270   0.4680 -0.6357000 0.6528000 
1 1 1  -43   13   11 o   18.350   0.3637   18.690   0.4818   18.010   0.5449 0.6823000 0.7273000 
1 1 1  -43   13   12 o   12.380   0.5756   11.950   0.6961   12.810   0.9170 -0.8580000 1.151000 
1 1 1  -43   13   13 f   11.690   0.7765   11.580   1.1980   11.790   0.9880 -0.2064000 1.553000 
1 1 1  -43   13   14 o   11.270   0.5702   10.860   0.8071   11.680   0.8055 -0.8143000 1.140000 
1 1 1  -43   13   15 o   14.260   0.4636   13.860   0.6407   14.660   0.6702 -0.8020000 0.9271000 
1 1 1  -43   13   16 f   13.400   0.4978   13.860   0.6460   12.950   0.7577 0.9150000 0.9957000 
1 1 1  -43   13   17 o   3.5660   1.0890   3.0900   1.3960   4.0410   1.6710 -0.9511000 2.177000 
1 1 1  -43   13   18 o   3.4660   1.0690   3.4090   1.4690   3.5220   1.5520 -0.1128000 2.137000 
1 1 1  -43   13   19 o   13.310   0.5095   13.180   0.7043   13.430   0.7364 -0.2463000 1.019000 
1 1 1  -43   13   20 o   22.540   0.3503   22.530   0.4841   22.550   0.5064 -0.2432000E-01 0.7006000 
1 1 1  -43   13   21 o   10.840   0.6353   10.380   0.9106   11.290   0.8862 -0.9170000 1.271000 
1 1 1  -43   13   22 o   24.770   0.3773   25.150   0.5128   24.390   0.5537 0.7687000 0.7547000 
1 1 1  -43   13   23 o   11.980   0.6641   12.070   0.8583   11.890   1.0140 0.1838000 1.328000 
1 1 1  -43   13   24 o   3.0940   1.0030   2.7690   1.3090   3.4190   1.5200 -0.6501000 2.006000 
1 1 1  -43   13   25 o   18.110   0.4453   18.120   0.6071   18.100   0.6517 0.2331000E-01 0.8907000 
1 1 1  -43   13   26 o   24.140   0.3916   24.140   0.5676   24.130   0.5395 0.6330000E-02 0.7831000 
1 1 1  -43   13   27 o   6.0220   1.3300   6.9710   1.8420   5.0740   1.9190 1.897000 2.660000 
1 1 1  -43   13   28 o   4.2010   1.3240   4.5120   2.0000   3.8900   1.7360 0.6216000 2.648000 
1 1 1  -43   13   29 o   7.6690   1.2250   5.8280   1.9470   9.5100   1.4870 -3.682000 2.450000 
1 1 1  -43   13   30 o   3.7570   1.1490   3.6110   1.5810   3.9030   1.6670 -0.2918000 2.297000 
1 1 1  -43   13   31 o   3.9450   1.1970   3.8080   1.6910   4.0810   1.6940 -0.2725000 2.394000 
1 1 1  -43   13   32 o   2.9790   0.9963   2.3090   1.1810   3.6490   1.6050 -1.340000 1.993000 
1 1 1  -43   15    1 f   15.710   0.4944   14.810   0.6727   16.610   0.7246 -1.802000 0.9888000 
1 1 1  -43   15    2 o   20.280   0.4176   20.850   0.5424   19.710   0.6352 1.137000 0.8352000 
1 1 1  -43   15    3 o   28.980   0.2987   29.120   0.4202   28.840   0.4246 0.2752000 0.5974000 
1 1 1  -43   15    4 o   6.7990   0.9613   5.4470   1.5220   8.1510   1.1750 -2.704000 1.923000 
1 1 1  -43   15    5 o   5.7240   1.0470   4.6450   1.5670   6.8030   1.3900 -2.157000 2.095000 
1 1 1  -43   15    6 o   18.480   0.3833   18.570   0.5186   18.380   0.5645 0.1955000 0.7666000 
1 1 1  -43   15    7 o   37.420   0.3423   37.790   0.4401   37.050   0.5245 0.7423000 0.6847000 
1 1 1  -43   15    8 o   18.780   0.3749   18.500   0.5167   19.050   0.5435 -0.5461000 0.7499000 
1 1 1  -43   15    9 o   10.890   0.7030   11.080   0.9260   10.710   1.0580 0.3727000 1.406000 
1 1 1  -43   15   10 o   18.050   0.4569   17.670   0.6281   18.440   0.6636 -0.7688000 0.9137000 
1 1 1  -43   15   11 o   8.0680   0.9791   7.4850   1.4030   8.6500   1.3660 -1.165000 1.958000 
1 1 1  -43   15   12 f   12.630   0.5361   12.930   0.6824   12.340   0.8270 0.5838000 1.072000 
1 1 1  -43   15   13 o   34.310   0.3509   34.520   0.4724   34.100   0.5191 0.4233000 0.7019000 
1 1 1  -43   15   14 o   21.310   0.3932   21.520   0.5012   21.100   0.6059 0.4205000 0.7863000 
1 1 1  -43   15   15 o   6.0370   1.1990   5.8880   1.6210   6.1860   1.7660 -0.2980000 2.397000 
1 1 1  -43   15   16 o   7.0530   0.9859   6.3000   1.4630   7.8050   1.3220 -1.505000 1.972000 
1 1 1  -43   15   17 o   19.330   0.3875   19.400   0.5283   19.260   0.5670 0.1330000 0.7749000 
1 1 1  -43   15   18 o   4.6210   1.1310   3.7860   1.5310   5.4550   1.6640 -1.669000 2.262000 
1 1 1  -43   15   19 o   18.600   0.4086   18.400   0.5635   18.790   0.5917 -0.3897000 0.8171000 
1 1 1  -43   15   20 o   13.310   0.5491   12.690   0.7908   13.940   0.7619 -1.243000 1.098000 
1 1 1  -43   15   21 o   7.1170   1.0640   9.1370   1.1130   5.0970   1.8130 4.039000 2.127000 
1 1 1  -43   15   22 o   18.040   0.4968   18.420   0.6462   17.650   0.7547 0.7745000 0.9936000 
1 1 1  -43   15   23 o   19.370   0.4355   19.840   0.5775   18.900   0.6519 0.9376000 0.8709000 
1 1 1  -43   15   24 o   9.4320   0.8502   8.8320   1.1980   10.030   1.2060 -1.200000 1.700000 
1 1 1  -43   15   25 o   9.4860   0.8527   9.0330   1.1890   9.9390   1.2230 -0.9061000 1.705000 
1 1 1  -43   15   26 f   10.700   0.7802   11.270   1.0020   10.130   1.1960 1.136000 1.560000 
1 1 1  -43   15   27 o   12.290   1.0710   11.970   1.5890   12.610   1.4350 -0.6397000 2.142000 
1 1 1  -43   15   28 f   3.3650   1.0870   3.2860   1.5050   3.4430   1.5700 -0.1569000 2.174000 
1 1 1  -43   15   29 o   4.8950   1.2570   5.1730   1.7840   4.6160   1.7700 0.5562000 2.513000 
1 1 1  -43   15   30 o   4.7590   1.2450   4.9150   1.7590   4.6030   1.7630 0.3121000 2.490000 
1 1 1  -43   15   31 o   2.6590   1.3200   2.6590   1.3200  ?   ?       ?      ? 
1 1 1  -43   17    1 o   5.0710   1.1720   4.8550   1.6330   5.2880   1.6810 -0.4332000 2.343000 
1 1 1  -43   17    2 o   17.490   0.4332   17.030   0.6039   17.940   0.6211 -0.9101000 0.8663000 
1 1 1  -43   17    3 o   21.780   0.3756   21.720   0.5226   21.850   0.5396 -0.1308000 0.7512000 
1 1 1  -43   17    4 o   14.990   0.5647   14.260   0.7018   15.710   0.8850 -1.455000 1.129000 
1 1 1  -43   17    5 o   11.520   0.6623   11.480   0.8594   11.550   1.0080 -0.7252000E-01 1.325000 
1 1 1  -43   17    6 o   7.6830   1.0370   8.7380   1.1570   6.6290   1.7210 2.110000 2.074000 
1 1 1  -43   17    7 o   9.5340   0.8119   9.4530   1.0660   9.6150   1.2240 -0.1620000 1.624000 
1 1 1  -43   17    8 o   24.830   0.3728   25.710   0.4889   23.950   0.5629 1.765000 0.7455000 
1 1 1  -43   17    9 o   4.4550   1.1250   3.0830   1.3970   5.8280   1.7650 -2.745000 2.251000 
1 1 1  -43   17   10 o   11.460   0.6109   11.870   0.7781   11.050   0.9420 0.8191000 1.222000 
1 1 1  -43   17   11 o   14.410   0.4900   14.880   0.6320   13.950   0.7489 0.9315000 0.9799000 
1 1 1  -43   17   12 o   15.280   0.4732   15.300   0.6183   15.270   0.7165 0.3906000E-01 0.9465000 
1 1 1  -43   17   13 o   5.0110   1.1490   5.6470   1.5590   4.3750   1.6880 1.271000 2.298000 
1 1 1  -43   17   14 o   18.480   0.4103   18.540   0.5410   18.420   0.6170 0.1266000 0.8205000 
1 1 1  -43   17   15 o   8.2690   0.8839   7.4480   1.3030   9.0890   1.1940 -1.641000 1.768000 
1 1 1  -43   17   16 o   6.6330   1.1110   7.8370   1.4040   5.4300   1.7230 2.407000 2.223000 
1 1 1  -43   17   17 o   32.130   0.3527   32.680   0.5170   31.570   0.4799 1.117000 0.7054000 
1 1 1  -43   17   18 o   11.030   0.7123   11.910   0.9376   10.140   1.0730 1.765000 1.425000 
1 1 1  -43   17   19 f   7.6030   1.0170   6.1160   1.6320   9.0910   1.2160 -2.974000 2.035000 
1 1 1  -43   17   20 o   4.8300   1.1630   6.2000   1.7070   3.4600   1.5800 2.741000 2.326000 
1 1 1  -43   17   21 o   3.5700   1.1270   3.8210   1.6410   3.3200   1.5460 0.5005000 2.254000 
1 1 1  -43   17   22 o   3.7230   1.1440   3.6080   1.5770   3.8380   1.6580 -0.2303000 2.288000 
1 1 1  -43   17   23 o   9.9380   0.8447   9.5910   1.1860   10.290   1.2030 -0.6945000 1.689000 
1 1 1  -43   17   24 o   4.1760   1.2230   5.1250   1.9260   3.2280   1.5080 1.897000 2.447000 
1 1 1  -43   17   25 o   3.1470   1.0730   3.1940   1.5320   3.1000   1.5010 0.9333000E-01 2.145000 
1 1 1  -43   17   26 o   3.9840   1.1970   2.6480   1.3190   5.3210   1.9970 -2.673000 2.394000 
1 1 1  -43   17   27 o   4.5680   1.2580   4.5560   1.7680   4.5800   1.7900 -0.2426000E-01 2.516000 
1 1 1  -43   17   28 o   2.9200   0.9862   3.2250   1.4950   2.6160   1.2860 0.6091000 1.972000 
1 1 1  -43   17   29 o   2.7180   0.9334   2.8550   1.3680   2.5820   1.2700 0.2727000 1.867000 
1 1 1  -43   19    1 o   12.400   0.6220   12.080   0.8048   12.730   0.9487 -0.6455000 1.244000 
1 1 1  -43   19    2 o   8.8760   0.8668   9.2670   1.0420   8.4850   1.3850 0.7813000 1.734000 
1 1 1  -43   19    3 o   11.470   0.6689   11.820   0.8259   11.120   1.0520 0.6956000 1.338000 
1 1 1  -43   19    4 o   10.590   0.7127   10.500   0.9214   10.680   1.0880 -0.1848000 1.425000 
1 1 1  -43   19    5 o   4.8150   1.2210   5.3690   1.6280   4.2610   1.8200 1.109000 2.442000 
1 1 1  -43   19    6 o   8.1740   1.0110   8.7220   1.1380   7.6260   1.6710 1.097000 2.022000 
1 1 1  -43   19    7 o   13.780   0.5358   14.150   0.6968   13.420   0.8141 0.7350000 1.072000 
1 1 1  -43   19    8 o   3.4360   1.0620   3.6650   1.5400   3.2060   1.4630 0.4591000 2.124000 
1 1 1  -43   19    9 o   12.370   0.5947   13.250   0.7393   11.480   0.9317 1.774000 1.189000 
1 1 1  -43   19   10 o   16.530   0.4607   16.840   0.6027   16.220   0.6970 0.6225000 0.9215000 
1 1 1  -43   19   11 f   14.710   0.5033   13.780   0.7137   15.650   0.7098 -1.878000 1.007000 
1 1 1  -43   19   12 o   8.9230   0.8426   8.0560   1.2580   9.7900   1.1210 -1.733000 1.685000 
1 1 1  -43   19   13 o   4.5740   1.1970   4.6580   1.6550   4.4910   1.7290 0.1666000 2.393000 
1 1 1  -43   19   14 o   9.4940   0.7987   9.1290   1.1140   9.8590   1.1450 -0.7300000 1.597000 
1 1 1  -43   19   15 o   8.6200   0.9039   7.8810   1.3070   9.3600   1.2490 -1.480000 1.808000 
1 1 1  -43   19   16 o   8.6750   0.9019   8.3430   1.2490   9.0070   1.3010 -0.6645000 1.804000 
1 1 1  -43   19   17 o   4.9950   1.2270   4.4650   1.6870   5.5260   1.7830 -1.061000 2.455000 
1 1 1  -43   19   18 o   9.9710   0.9134   10.410   1.1450   9.5370   1.4240 0.8696000 1.827000 
1 1 1  -43   19   19 o   15.120   0.6244   15.190   0.8482   15.050   0.9165 0.1408000 1.249000 
1 1 1  -43   19   20 o   3.6730   1.1440   3.4040   1.5290   3.9430   1.7030 -0.5398000 2.289000 
1 1 1  -43   19   21 o   5.1750   1.1410   6.8570   1.6390   3.4930   1.5890 3.364000 2.283000 
1 1 1  -43   19   22 o   4.7030   1.3350   4.3310   1.8330   5.0760   1.9400 -0.7453000 2.669000 
1 1 1  -43   19   23 o   3.3560   1.1220   3.3410   1.5810   3.3710   1.5920 -0.3054000E-01 2.244000 
1 1 1  -43   19   24 o   2.9950   1.0340   3.2490   1.5570   2.7410   1.3610 0.5078000 2.068000 
1 1 1  -43   19   25 o   4.4990   1.3380   4.4290   1.8750   4.5680   1.9100 -0.1390000 2.677000 
1 1 1  -43   19   26 o   3.1190   1.0360   2.8980   1.3900   3.3400   1.5360 -0.4421000 2.071000 
1 1 1  -43   19   27 o   2.2330   0.7951   2.3460   1.1730   2.1200   1.0740 0.2264000 1.590000 
1 1 1  -43   19   28 o   2.6920   0.9355   3.2860   1.5360   2.0970   1.0690 1.189000 1.871000 
1 1 1  -43   21    1 o   8.5450   0.9162   7.7290   1.3520   9.3620   1.2370 -1.633000 1.832000 
1 1 1  -43   21    2 o   6.1700   1.1700   7.0570   1.4790   5.2840   1.8120 1.773000 2.339000 
1 1 1  -43   21    3 o   4.1670   1.1440   3.4520   1.5150   4.8830   1.7140 -1.431000 2.288000 
1 1 1  -43   21    4 o   4.9690   1.2000   4.1920   1.6460   5.7450   1.7470 -1.553000 2.400000 
1 1 1  -43   21    5 o   12.580   0.7425   12.210   0.8743   12.950   1.2000 -0.7402000 1.485000 
1 1 1  -43   21    6 o   11.510   0.7930   10.830   0.9691   12.200   1.2560 -1.363000 1.586000 
1 1 1  -43   21    7 o   10.810   0.8636   11.130   0.9515   10.490   1.4410 0.6404000 1.727000 
1 1 1  -43   21    8 o   19.880   0.5067   20.380   0.5681   19.380   0.8391 0.9982000 1.013000 
1 1 1  -43   21    9 o   6.2990   1.2360   7.4650   1.4280   5.1330   2.0170 2.332000 2.471000 
1 1 1  -43   21   10 o   5.8180   1.3040   6.2360   1.6250   5.4000   2.0390 0.8365000 2.607000 
1 1 1  -43   21   11 o   16.730   0.5240   16.820   0.6496   16.650   0.8225 0.1696000 1.048000 
1 1 1  -43   21   12 o   14.010   0.5764   14.540   0.7250   13.490   0.8962 1.053000 1.153000 
1 1 1  -43   21   13 o   9.1950   0.9227   10.280   1.0280   8.1100   1.5320 2.169000 1.845000 
1 1 1  -43   21   14 o   13.620   0.6021   13.780   0.7989   13.460   0.9009 0.3213000 1.204000 
1 1 1  -43   21   15 o   11.440   0.8148   12.520   0.8845   10.370   1.3690 2.147000 1.630000 
1 1 1  -43   21   16 o   3.2980   1.0970   2.9280   1.4170   3.6670   1.6750 -0.7394000 2.194000 
1 1 1  -43   21   17 o   6.4730   1.3520   6.6050   1.8510   6.3420   1.9710 0.2632000 2.704000 
1 1 1  -43   21   18 o   7.8600   1.2630   7.0940   1.8500   8.6260   1.7190 -1.531000 2.526000 
1 1 1  -43   21   19 o   4.3260   1.2870   4.4160   1.8140   4.2360   1.8270 0.1801000 2.575000 
1 1 1  -43   21   20 o   5.3970   1.3350   5.2310   1.8190   5.5630   1.9550 -0.3317000 2.670000 
1 1 1  -43   21   21 o   8.8310   0.9987   8.6490   1.4770   9.0120   1.3440 -0.3626000 1.997000 
1 1 1  -43   21   22 o   3.9730   1.1540   2.9130   1.4060   5.0340   1.8300 -2.120000 2.308000 
1 1 1  -43   21   23 o   3.5140   1.1570   3.1810   1.5260   3.8480   1.7400 -0.6676000 2.314000 
1 1 1  -43   21   24 o   3.6850   1.1280   4.4190   1.7580   2.9520   1.4140 1.467000 2.256000 
1 1 1  -43   21   25 o   9.3930   0.9949   8.7350   1.5910   10.050   1.1940 -1.316000 1.990000 
1 1 1  -43   21   26 o   2.5900   0.9291   2.1960   1.1260   2.9840   1.4780 -0.7877000 1.858000 
1 1 1  -43   23    1 o   9.5800   1.2180   10.800   1.6290   8.3650   1.8110 2.431000 2.436000 
1 1 1  -43   23    2 o   6.5630   1.2340   6.2770   1.6660   6.8490   1.8220 -0.5721000 2.468000 
1 1 1  -43   23    3 o   14.400   0.5689   13.280   0.8454   15.520   0.7614 -2.237000 1.138000 
1 1 1  -43   23    4 o   5.4530   1.2110   4.7920   1.7100   6.1140   1.7160 -1.322000 2.423000 
1 1 1  -43   23    5 o   3.5550   1.1110   2.9550   1.3880   4.1560   1.7350 -1.201000 2.221000 
1 1 1  -43   23    6 o   4.2230   1.1990   4.5040   1.7020   3.9420   1.6880 0.5624000 2.397000 
1 1 1  -43   23    7 f   7.3370   1.1160   6.9600   1.5560   7.7150   1.6010 -0.7550000 2.232000 
1 1 1  -43   23    8 o   19.080   0.4572   19.650   0.5984   18.510   0.6915 1.139000 0.9144000 
1 1 1  -43   23    9 o   10.420   0.8018   8.8380   1.2570   12.000   0.9958 -3.158000 1.604000 
1 1 1  -43   23   10 o   8.9840   1.2160   12.660   0.8908   5.3050   2.2640 7.356000 2.433000 
1 1 1  -43   23   11 o   3.9170   1.2910   3.7530   1.6940   4.0810   1.9490 -0.3273000 2.582000 
1 1 1  -43   23   12 o   9.9750   1.4750   8.4750   2.0750   11.480   2.0960 -3.000000 2.949000 
1 1 1  -43   23   13 o   4.3000   1.4090   3.8940   1.8010   4.7060   2.1660 -0.8121000 2.817000 
1 1 1  -43   23   14 o   4.9530   1.4430   5.6220   2.1710   4.2850   1.9020 1.337000 2.886000 
1 1 1  -43   23   15 f   7.5670   1.3820   6.3630   1.9360   8.7700   1.9710 -2.406000 2.763000 
1 1 1  -43   23   16 o   3.8360   1.1530   4.4160   1.7370   3.2560   1.5160 1.160000 2.305000 
1 1 1  -43   23   17 o   7.4060   1.1580   8.0510   1.5070   6.7600   1.7580 1.292000 2.315000 
1 1 1  -43   23   18 o   7.1620   1.2100   7.4130   1.6480   6.9110   1.7720 0.5013000 2.420000 
1 1 1  -43   23   19 o   3.9430   1.1880   4.3620   1.7560   3.5240   1.6000 0.8376000 2.376000 
1 1 1  -43   23   20 o   6.2690   1.2740   6.5560   1.7600   5.9830   1.8410 0.5732000 2.547000 
1 1 1  -43   23   21 o   2.6390   0.9280   2.6030   1.2940   2.6740   1.3300 -0.7097000E-01 1.856000 
1 1 1  -43   23   22 o   3.6460   1.1340   3.8460   1.6490   3.4460   1.5580 0.3996000 2.269000 
1 1 1  -43   23   23 o   2.4190   0.8575   2.6520   1.3080   2.1860   1.1090 0.4664000 1.715000 
1 1 1  -43   25    1 o   7.5320   1.1550   8.1400   1.4720   6.9250   1.7810 1.216000 2.311000 
1 1 1  -43   25    2 o   5.1200   1.3630   4.3680   1.7550   5.8720   2.0870 -1.504000 2.727000 
1 1 1  -43   25    3 o   22.340   0.4637   22.410   0.6093   22.280   0.6991 0.1253000 0.9273000 
1 1 1  -43   25    4 o   6.2270   1.4870   5.7970   1.9260   6.6560   2.2640 -0.8586000 2.973000 
1 1 1  -43   25    5 o   6.2300   1.3780   6.2550   1.9240   6.2040   1.9720 0.5055000E-01 2.755000 
1 1 1  -43   25    6 o   11.390   0.8394   12.500   0.9467   10.280   1.3860 2.222000 1.679000 
1 1 1  -43   25    7 o   8.8620   0.9859   9.3260   1.2690   8.3980   1.5100 0.9288000 1.972000 
1 1 1  -43   25    8 o   6.1480   1.2540   5.6910   1.7650   6.6040   1.7830 -0.9133000 2.509000 
1 1 1  -43   25    9 o   3.3180   1.0760   3.5290   1.5760   3.1060   1.4660 0.4233000 2.152000 
1 1 1  -43   25   10 o   7.3170   1.1590   7.1880   1.6340   7.4460   1.6450 -0.2577000 2.319000 
1 1 1  -43   25   11 o   7.3370   1.1450   6.3390   1.7140   8.3350   1.5200 -1.996000 2.291000 
1 1 1  -43   25   12 o   4.7260   1.1960   3.4040   1.5460   6.0490   1.8270 -2.645000 2.393000 
1 1 1  -43   25   13 o   2.8910   0.9815   2.7550   1.3360   3.0270   1.4380 -0.2723000 1.963000 
1 1 1  -43   25   14 o   10.270   0.8413   11.140   1.0540   9.4070   1.3120 1.736000 1.683000 
1 1 1  -43   25   15 o   7.5990   1.2370   9.1270   1.3110   6.0720   2.0990 3.056000 2.474000 
1 1 1  -43   25   16 o   3.3080   1.0850   3.6860   1.6160   2.9300   1.4480 0.7563000 2.170000 
1 1 1  -43   25   17 o   3.2910   1.0860   3.6610   1.6220   2.9200   1.4460 0.7411000 2.173000 
1 1 1  -43   25   18 o   3.5720   1.2180   3.3950   1.5930   3.7480   1.8440 -0.3535000 2.437000 
1 1 1  -43   25   19 o   2.8440   1.0210   2.5640   1.2930   3.1250   1.5810 -0.5619000 2.042000 
1 1 1  -43   25   20 o   2.7030   0.9386   2.9860   1.4330   2.4190   1.2130 0.5669000 1.877000 
1 1 1  -43   25   21 o   1.9730   1.0250  ?   ?    1.9730   1.0250      ?      ? 
1 1 1  -43   27    1 o   3.7850   1.1650   4.3090   1.7570   3.2610   1.5310 1.048000 2.331000 
1 1 1  -43   27    2 o   3.3760   1.0950   3.7250   1.6370   3.0260   1.4540 0.6995000 2.190000 
1 1 1  -43   27    3 o   3.3040   1.0790   3.5910   1.6020   3.0170   1.4470 0.5738000 2.159000 
1 1 1  -43   27    4 o   4.3210   1.2570   3.1060   1.4590   5.5370   2.0470 -2.431000 2.513000 
1 1 1  -43   27    5 o   3.5870   1.1330   2.9850   1.4220   4.1880   1.7650 -1.202000 2.267000 
1 1 1  -43   27    6 o   3.7970   1.1560   2.9720   1.4170   4.6210   1.8260 -1.649000 2.312000 
1 1 1  -43   27    7 o   6.3450   1.2280   7.6450   1.5850   5.0450   1.8770 2.600000 2.456000 
1 1 1  -43   27    8 o   8.9280   0.9937   9.6350   1.2360   8.2200   1.5560 1.415000 1.987000 
1 1 1  -43   27    9 o   3.5910   1.1310   3.5280   1.5760   3.6540   1.6240 -0.1258000 2.263000 
1 1 1  -43   27   10 o   4.0710   1.1820   3.3310   1.5220   4.8100   1.8080 -1.479000 2.363000 
1 1 1  -43   27   11 o   3.3950   1.0940   3.2550   1.5030   3.5360   1.5900 -0.2812000 2.188000 
1 1 1  -43   27   12 o   9.0400   1.0710   9.4630   1.2580   8.6180   1.7340 0.8445000 2.142000 
1 1 1  -43   27   13 o   3.0700   1.0600   3.6560   1.7080   2.4840   1.2540 1.172000 2.119000 
1 1 1  -43   27   14 o   3.0220   1.0510   3.3520   1.6130   2.6910   1.3460 0.6608000 2.101000 
1 1 1  -43   27   15 o   2.3600   0.8517   2.7120   1.3540   2.0090   1.0330 0.7033000 1.703000 
1 1 1  -43   27   16 o   2.6830   0.9381   2.5430   1.2810   2.8230   1.3700 -0.2793000 1.876000 
1 1 1  -43   27   17 o   2.2940   0.8318   2.2310   1.1560   2.3570   1.1970 -0.1263000 1.664000 
1 1 1  -43   29    1 o   2.4750   0.8679   2.5840   1.2690   2.3650   1.1840 0.2189000 1.736000 
1 1 1  -43   29    2 o   3.4620   1.1010   3.9850   1.6770   2.9390   1.4290 1.047000 2.203000 
1 1 1  -43   29    3 o   3.4320   1.1650   3.4270   1.6430   3.4360   1.6520 -0.9315000E-02 2.330000 
1 1 1  -43   29    4 o   2.7200   0.9671   2.4880   1.2610   2.9530   1.4670 -0.4650000 1.934000 
1 1 1  -43   29    5 o   3.2040   1.1000   4.1010   1.8580   2.3080   1.1790 1.793000 2.201000 
1 1 1  -43   29    6 o   2.7280   0.9639   2.9370   1.4560   2.5180   1.2630 0.4197000 1.928000 
1 1 1  -43   29    7 o   2.3500   0.8405   2.5240   1.2630   2.1760   1.1090 0.3477000 1.681000 
1 1 1  -43   29    8 o   3.3910   1.1200   3.6200   1.6540   3.1610   1.5100 0.4595000 2.240000 
1 1 1  -43   29    9 o   3.2470   1.0690   2.4720   1.2350   4.0220   1.7460 -1.549000 2.138000 
1 1 1  -43   29   10 o   2.7720   0.9452   2.8130   1.3500   2.7310   1.3230 0.8221000E-01 1.890000 
1 1 1  -43   29   11 o   2.3850   1.2320   2.3850   1.2320  ?   ?       ?      ? 
1 1 1  -42    0    1 o   40.090   0.4272   40.090   0.4272   40.090   0.4272 0.000000 0.000000 
1 1 1  -42    0    2 o   17.290   0.7100   17.290   0.7100   17.290   0.7100 -0.000000 0.000000 
1 1 1  -42    0    3 o   42.300   0.4300   42.300   0.4300   42.300   0.4300 -0.000000 0.000000 
1 1 1  -42    0    4 o   29.830   0.3837   29.830   0.3837   29.830   0.3837 -0.000000 0.000000 
1 1 1  -42    0    5 o   30.660   0.3801   30.660   0.3801   30.660   0.3801 -0.000000 0.000000 
1 1 1  -42    0    6 f   39.640   0.5807   39.640   0.5807   39.640   0.5807 0.000000 0.000000 
1 1 1  -42    0    7 o   74.450   0.6741   74.450   0.6741   74.450   0.6741 0.000000 0.000000 
1 1 1  -42    0    8 o   78.890   0.7130   78.890   0.7130   78.890   0.7130 0.000000 0.000000 
1 1 1  -42    0    9 o   53.080   0.7052   53.080   0.7052   53.080   0.7052 -0.000000 0.000000 
1 1 1  -42    0   10 o   48.250   0.6567   48.250   0.6567   48.250   0.6567 0.000000 0.000000 
1 1 1  -42    0   11 o   2.5340   1.6530   2.5340   1.6530   2.5340   1.6530 0.000000 0.000000 
1 1 1  -42    0   12 o   17.980   0.6510   17.980   0.6510   17.980   0.6510 0.000000 0.000000 
1 1 1  -42    0   13 o   21.800   0.8316   21.800   0.8316   21.800   0.8316 0.000000 0.000000 
1 1 1  -42    0   14 o   26.710   0.5598   26.710   0.5598   26.710   0.5598 -0.000000 0.000000 
1 1 1  -42    0   15 o   8.1180   1.0020   8.1180   1.0020   8.1180   1.0020 -0.000000 0.000000 
1 1 1  -42    0   16 o   23.140   0.4120   23.140   0.4120   23.140   0.4120 -0.000000 0.000000 
1 1 1  -42    0   17 o   24.750   0.4017   24.750   0.4017   24.750   0.4017 0.000000 0.000000 
1 1 1  -42    0   18 o   18.900   0.4548   18.900   0.4548   18.900   0.4548 -0.000000 0.000000 
1 1 1  -42    0   19 o   35.980   0.4060   35.980   0.4060   35.980   0.4060 -0.000000 0.000000 
1 1 1  -42    0   20 o   18.360   0.4595   18.360   0.4595   18.360   0.4595 0.000000 0.000000 
1 1 1  -42    0   21 o   2.7220   1.6090   2.7220   1.6090   2.7220   1.6090 0.000000 0.000000 
1 1 1  -42    0   22 o   21.810   0.5853   21.810   0.5853   21.810   0.5853 0.000000 0.000000 
1 1 1  -42    0   23 o   28.550   0.5602   28.550   0.5602   28.550   0.5602 -0.000000 0.000000 
1 1 1  -42    0   24 o   27.900   0.4198   27.900   0.4198   27.900   0.4198 -0.000000 0.000000 
1 1 1  -42    0   25 o   8.2890   1.0940   8.2890   1.0940   8.2890   1.0940 0.000000 0.000000 
1 1 1  -42    0   26 o   38.400   0.4444   38.400   0.4444   38.400   0.4444 0.000000 0.000000 
1 1 1  -42    0   27 o   16.830   0.8949   16.830   0.8949   16.830   0.8949 0.000000 0.000000 
1 1 1  -42    0   28 o   9.7840   1.0810   9.7840   1.0810   9.7840   1.0810 0.000000 0.000000 
1 1 1  -42    0   29 o   11.230   0.9066   11.230   0.9066   11.230   0.9066 0.000000 0.000000 
1 1 1  -42    0   30 o   24.490   0.5131   24.490   0.5131   24.490   0.5131 0.000000 0.000000 
1 1 1  -42    0   31 o   14.890   0.7712   14.890   0.7712   14.890   0.7712 -0.000000 0.000000 
1 1 1  -42    0   32 o   2.6610   1.7330   2.6610   1.7330   2.6610   1.7330 0.000000 0.000000 
1 1 1  -42    0   33 o   2.4500   1.6410   2.4500   1.6410   2.4500   1.6410 0.000000 0.000000 
1 1 1  -42    0   34 o   3.0350   1.8840   3.0350   1.8840   3.0350   1.8840 -0.000000 0.000000 
1 1 1  -42    0   35 o   1.6610   1.2250   1.6610   1.2250   1.6610   1.2250 -0.000000 0.000000 
1 1 1  -42    2    1 o   66.060   0.4990   66.160   0.7054   65.960   0.7060 0.1995000 0.9980000 
1 1 1  -42    2    2 o   36.330   0.3891   35.740   0.4638   36.920   0.6250 -1.188000 0.7782000 
1 1 1  -42    2    3 o   49.670   0.4511   48.520   0.5471   50.820   0.7175 -2.295000 0.9023000 
1 1 1  -42    2    4 o   58.180   0.4800   57.600   0.5380   58.750   0.7952 -1.141000 0.9601000 
1 1 1  -42    2    5 o   41.210   0.3806   40.950   0.4154   41.460   0.6378 -0.5100000 0.7611000 
1 1 1  -42    2    6 o   58.050   0.4726   57.660   0.5364   58.440   0.7782 -0.7814000 0.9452000 
1 1 1  -42    2    7 f   56.190   0.4582   55.840   0.5196   56.530   0.7550 -0.6849000 0.9165000 
1 1 1  -42    2    8 o   29.740   0.3565   29.600   0.4367   29.870   0.5635 -0.2719000 0.7129000 
1 1 1  -42    2    9 o   12.170   0.5361   12.600   0.7203   11.740   0.7942 0.8637000 1.072000 
1 1 1  -42    2   10 o   33.200   0.3508   32.670   0.4335   33.720   0.5517 -1.050000 0.7016000 
1 1 1  -42    2   11 o   50.120   0.3902   49.910   0.5497   50.340   0.5540 -0.4369000 0.7805000 
1 1 1  -42    2   12 f   27.000   0.3039   27.220   0.4314   26.780   0.4281 0.4352000 0.6078000 
1 1 1  -42    2   13 f   20.520   0.3036   20.710   0.4320   20.320   0.4268 0.3904000 0.6073000 
1 1 1  -42    2   14 o   41.820   0.3995   41.120   0.6202   42.510   0.5038 -1.386000 0.7990000 
1 1 1  -42    2   15 o   23.180   0.5317   22.630   0.9524   23.730   0.4729 -1.108000 1.063000 
1 1 1  -42    2   16 o   11.210   0.5957   12.410   0.9001  10.0000   0.7806 2.411000 1.191000 
1 1 1  -42    2   17 o   28.530   0.3458   28.310   0.5670   28.750   0.3959 -0.4379000 0.6916000 
1 1 1  -42    2   18 o   19.270   0.3931   18.950   0.6435   19.590   0.4516 -0.6430000 0.7861000 
1 1 1  -42    2   19 o   8.6700   0.7647   9.2760   1.0170   8.0640   1.1420 1.212000 1.529000 
1 1 1  -42    2   20 o   12.490   0.4447   12.450   0.6314   12.520   0.6264 -0.7640000E-01 0.8894000 
1 1 1  -42    2   21 o   28.320   0.3264   28.380   0.4782   28.260   0.4443 0.1213000 0.6527000 
1 1 1  -42    2   22 o   15.570   0.4441   15.910   0.6528   15.240   0.6023 0.6751000 0.8882000 
1 1 1  -42    2   23 o   15.040   0.4451   15.750   0.5923   14.320   0.6644 1.428000 0.8901000 
1 1 1  -42    2   24 o   3.5820   1.0220   3.2510   1.4000   3.9140   1.4890 -0.6626000 2.044000 
1 1 1  -42    2   25 o   12.630   0.4919   13.000   0.6817   12.260   0.7093 0.7403000 0.9838000 
1 1 1  -42    2   26 o   4.3600   1.1170   4.1090   1.5560   4.6100   1.6040 -0.5010000 2.235000 
1 1 1  -42    2   27 o   10.440   0.7815   11.870   0.9296   9.0130   1.2560 2.855000 1.563000 
1 1 1  -42    2   28 o   10.690   0.7875   10.830   1.1440   10.540   1.0820 0.2877000 1.575000 
1 1 1  -42    2   29 o   10.360   0.7081   11.060   0.9156   9.6640   1.0800 1.399000 1.416000 
1 1 1  -42    2   30 o   6.8820   1.1140   6.9800   1.5810   6.7830   1.5690 0.1968000 2.228000 
1 1 1  -42    2   31 o   10.310   0.8280   12.130   0.9366   8.4950   1.3660 3.634000 1.656000 
1 1 1  -42    2   32 o   13.180   0.6945   13.760   0.8533   12.600   1.0960 1.161000 1.389000 
1 1 1  -42    2   33 o   4.6430   1.2140   3.7070   1.6200   5.5800   1.8090 -1.873000 2.429000 
1 1 1  -42    2   34 o   11.350   0.7988   11.330   1.1920   11.370   1.0630 -0.3226000E-01 1.598000 
1 1 1  -42    2   35 o   2.7820   0.9747   3.0120   1.4670   2.5530   1.2830 0.4594000 1.949000 
1 1 1  -42    4    1 o   27.320   0.4029   26.780   0.3753   27.860   0.7131 -1.074000 0.8059000 
1 1 1  -42    4    2 o   31.730   0.3634   32.240   0.5032   31.220   0.5244 1.025000 0.7268000 
1 1 1  -42    4    3 o   23.070   0.6890   21.870   0.9592   24.260   0.9894 -2.384000 1.378000 
1 1 1  -42    4    4 o   20.130   0.7850   19.080   1.0710   21.170   1.1480 -2.094000 1.570000 
1 1 1  -42    4    5 o   37.870   0.6336   37.960   0.8729   37.790   0.9187 0.1667000 1.267000 
1 1 1  -42    4    6 f   38.080   0.6280   38.860   0.8816   37.310   0.8947 1.545000 1.256000 
1 1 1  -42    4    7 o   43.240   0.6519   44.050   0.9272   42.420   0.9166 1.633000 1.304000 
1 1 1  -42    4    8 o   65.500   0.7443   64.870   1.2150   66.130   0.8596 -1.253000 1.489000 
1 1 1  -42    4    9 o   53.390   0.3886   52.260   0.5819   54.520   0.5153 -2.258000 0.7772000 
1 1 1  -42    4   10 o   24.090   0.4016   23.760   0.6513   24.430   0.4701 -0.6694000 0.8032000 
1 1 1  -42    4   11 o   13.200   0.4152   13.530   0.5943   12.880   0.5801 0.6479000 0.8305000 
1 1 1  -42    4   12 o   60.810   0.4019   60.870   0.5699   60.750   0.5667 0.1113000 0.8037000 
1 1 1  -42    4   13 o   60.320   0.4001   60.090   0.5651   60.560   0.5666 -0.4650000 0.8002000 
1 1 1  -42    4   14 o   15.380   0.3804   15.040   0.5538   15.710   0.5217 -0.6608000 0.7608000 
1 1 1  -42    4   15 o   29.400   0.3365   29.770   0.4868   29.030   0.4647 0.7350000 0.6730000 
1 1 1  -42    4   16 o   20.200   0.3170   20.830   0.4467   19.570   0.4498 1.264000 0.6340000 
1 1 1  -42    4   17 o   6.3240   0.9038   7.0610   1.1720   5.5870   1.3760 1.474000 1.808000 
1 1 1  -42    4   18 o   49.860   0.3485   49.270   0.4901   50.460   0.4955 -1.187000 0.6970000 
1 1 1  -42    4   19 o   37.900   0.3677   38.090   0.6037   37.710   0.4201 0.3785000 0.7355000 
1 1 1  -42    4   20 o   23.040   0.3872   22.880   0.6129   23.200   0.4734 -0.3180000 0.7745000 
1 1 1  -42    4   21 o   33.020   0.3777   32.710   0.5979   33.330   0.4618 -0.6114000 0.7555000 
1 1 1  -42    4   22 o   26.160   0.3656   25.730   0.6054   26.590   0.4099 -0.8651000 0.7311000 
1 1 1  -42    4   23 o   9.3460   0.8010   9.0360   1.2520   9.6550   0.9996 -0.6185000 1.602000 
1 1 1  -42    4   24 o   10.960   0.6033   11.350   0.7810   10.570   0.9197 0.7845000 1.207000 
1 1 1  -42    4   25 o   28.750   0.3039   28.740   0.4279   28.760   0.4316 -0.2400000E-01 0.6078000 
1 1 1  -42    4   26 o   30.530   0.3575   30.770   0.4977   30.280   0.5132 0.4883000 0.7149000 
1 1 1  -42    4   27 o   23.530   0.3398   23.190   0.4837   23.880   0.4773 -0.6900000 0.6796000 
1 1 1  -42    4   28 o   7.3510   1.1570   7.2280   1.6830   7.4740   1.5880 -0.2462000 2.313000 
1 1 1  -42    4   29 o   6.6610   1.0870   7.7070   1.3730   5.6160   1.6850 2.091000 2.173000 
1 1 1  -42    4   30 o   6.4830   1.1390   7.6690   1.4410   5.2980   1.7640 2.371000 2.278000 
1 1 1  -42    4   31 o   6.9990   1.1510   6.3530   1.7010   7.6460   1.5510 -1.292000 2.302000 
1 1 1  -42    4   32 o   6.8240   1.1890   7.5770   1.5540   6.0700   1.8000 1.507000 2.378000 
1 1 1  -42    4   33 o   4.1190   1.2050   3.8550   1.6570   4.3840   1.7500 -0.5291000 2.411000 
1 1 1  -42    4   34 o   2.7020   0.9400   2.5640   1.2750   2.8390   1.3820 -0.2750000 1.880000 
1 1 1  -42    4   35 o   2.3170   0.8208   2.1410   1.0820   2.4930   1.2350 -0.3518000 1.642000 
1 1 1  -42    6    1 o   25.300   0.2749   25.360   0.3735   25.240   0.4034 0.1164000 0.5498000 
1 1 1  -42    6    2 o   28.080   0.5062   27.660   0.6756   28.500   0.7539 -0.8403000 1.012000 
1 1 1  -42    6    3 o   46.130   0.4981   45.940   0.6894   46.330   0.7191 -0.3869000 0.9962000 
1 1 1  -42    6    4 o   59.400   0.7146   58.410   0.8022   60.390   1.1830 -1.979000 1.429000 
1 1 1  -42    6    5 o   43.080   0.4770   42.940   0.6699   43.230   0.6793 -0.2899000 0.9541000 
1 1 1  -42    6    6 o   29.590   0.4590   28.900   0.6442   30.290   0.6539 -1.382000 0.9179000 
1 1 1  -42    6    7 o   38.800   0.4583   38.890   0.6451   38.710   0.6513 0.1750000 0.9167000 
1 1 1  -42    6    8 o   7.9460   1.3220   7.0220   2.0170   8.8700   1.7110 -1.848000 2.645000 
1 1 1  -42    6    9 o   34.430   0.3019   34.800   0.4609   34.060   0.3901 0.7338000 0.6039000 
1 1 1  -42    6   10 o   42.680   0.3606   42.840   0.5119   42.510   0.5082 0.3253000 0.7213000 
1 1 1  -42    6   11 o   25.780   0.3243   26.390   0.4557   25.170   0.4615 1.216000 0.6486000 
1 1 1  -42    6   12 o   45.210   0.3246   44.760   0.4594   45.660   0.4588 -0.8988000 0.6493000 
1 1 1  -42    6   13 o   24.390   0.2921   24.350   0.4175   24.440   0.4085 -0.9291000E-01 0.5841000 
1 1 1  -42    6   14 o   45.950   0.3291   45.670   0.4661   46.220   0.4647 -0.5532000 0.6582000 
1 1 1  -42    6   15 o   10.630   0.6929   10.060   1.0770   11.210   0.8722 -1.150000 1.386000 
1 1 1  -42    6   16 o   14.860   0.4788   14.290   0.7847   15.420   0.5489 -1.132000 0.9576000 
1 1 1  -42    6   17 o   19.840   0.3186   19.710   0.4532   19.970   0.4478 -0.2619000 0.6371000 
1 1 1  -42    6   18 o   13.900   0.4602   13.890   0.6924   13.920   0.6065 -0.3482000E-01 0.9204000 
1 1 1  -42    6   19 o   15.260   0.4495   14.630   0.6652   15.900   0.6049 -1.270000 0.8991000 
1 1 1  -42    6   20 o   13.430   0.4310   13.460   0.6027   13.400   0.6163 0.6238000E-01 0.8620000 
1 1 1  -42    6   21 o   11.240   0.5080   10.860   0.7240   11.620   0.7127 -0.7586000 1.016000 
1 1 1  -42    6   22 o   5.6520   0.9937   5.0910   1.4670   6.2130   1.3410 -1.121000 1.987000 
1 1 1  -42    6   23 o   24.270   0.4035   23.780   0.6447   24.770   0.4855 -0.9873000 0.8071000 
1 1 1  -42    6   24 o   3.8660   1.1890   4.6240   1.8710   3.1080   1.4690 1.516000 2.379000 
1 1 1  -42    6   25 o   15.060   0.5778   14.250   0.9121   15.870   0.7095 -1.621000 1.156000 
1 1 1  -42    6   26 f   19.520   0.5345  ?   ?    19.520   0.5345      ?      ? 
1 1 1  -42    6   27 o   11.160   0.6177   11.180   0.8536   11.150   0.8932 0.3724000E-01 1.235000 
1 1 1  -42    6   28 o   5.9870   1.1810   7.6500   1.5940   4.3230   1.7420 3.327000 2.361000 
1 1 1  -42    6   29 o   4.8850   1.1900   4.2810   1.6400   5.4890   1.7250 -1.209000 2.380000 
1 1 1  -42    6   30 o   14.510   0.5487   14.190   0.7697   14.830   0.7822 -0.6414000 1.097000 
1 1 1  -42    6   31 o   7.7080   1.0730   6.5750   1.6380   8.8410   1.3850 -2.266000 2.145000 
1 1 1  -42    6   32 o   5.0610   1.1940   3.7100   1.6020   6.4110   1.7720 -2.701000 2.388000 
1 1 1  -42    6   33 o   11.010   0.8825   10.350   1.3020   11.680   1.1910 -1.327000 1.765000 
1 1 1  -42    6   34 o   2.4980   0.8723   2.5500   1.2540   2.4450   1.2130 0.1058000 1.745000 
1 1 1  -42    8    1 o   20.160   0.3825   19.460   0.5020   20.870   0.5771 -1.412000 0.7649000 
1 1 1  -42    8    2 o   35.760   0.3534   35.190   0.4927   36.320   0.5069 -1.120000 0.7069000 
1 1 1  -42    8    3 o   51.390   0.5384   52.280   0.7543   50.500   0.7686 1.783000 1.077000 
1 1 1  -42    8    4 o   61.300   0.5971   61.310   0.8410   61.290   0.8478 0.1302000E-01 1.194000 
1 1 1  -42    8    5 o   62.430   0.6036   62.510   0.8509   62.340   0.8562 0.1688000 1.207000 
1 1 1  -42    8    6 o   22.120   0.5585   21.360   0.7849   22.880   0.7947 -1.519000 1.117000 
1 1 1  -42    8    7 o   33.540   0.4670   33.530   0.6497   33.550   0.6711 -0.2044000E-01 0.9341000 
1 1 1  -42    8    8 o   27.140   0.4938   25.950   0.7059   28.330   0.6907 -2.379000 0.9876000 
1 1 1  -42    8    9 o   36.520   0.2827   35.920   0.3920   37.120   0.4075 -1.200000 0.5655000 
1 1 1  -42    8   10 o   6.9800   0.8119   7.1690   1.0320   6.7910   1.2540 0.3781000 1.624000 
1 1 1  -42    8   11 o   11.500   0.4865   12.200   0.6610   10.790   0.7141 1.415000 0.9731000 
1 1 1  -42    8   12 o   34.410   0.2923   34.450   0.4165   34.370   0.4103 0.8247000E-01 0.5847000 
1 1 1  -42    8   13 o   41.480   0.3137   41.240   0.4461   41.720   0.4411 -0.4808000 0.6273000 
1 1 1  -42    8   14 o   32.060   0.2894   32.170   0.4150   31.950   0.4035 0.2209000 0.5788000 
1 1 1  -42    8   15 o   18.640   0.4475   18.850   0.6563   18.420   0.6085 0.4267000 0.8950000 
1 1 1  -42    8   16 o   5.7540   0.8452   8.7220   1.0690   2.7870   1.3090 5.935000 1.690000 
1 1 1  -42    8   17 o   15.810   0.4455   16.130   0.6056   15.500   0.6535 0.6293000 0.8910000 
1 1 1  -42    8   18 o   6.6030   0.8830   5.9930   1.3260   7.2130   1.1660 -1.220000 1.766000 
1 1 1  -42    8   19 o   23.070   0.3068   22.800   0.4301   23.340   0.4376 -0.5406000 0.6136000 
1 1 1  -42    8   20 o   18.330   0.3491   18.600   0.4804   18.060   0.5067 0.5456000 0.6982000 
1 1 1  -42    8   21 o   27.550   0.2956   27.270   0.4187   27.840   0.4175 -0.5688000 0.5913000 
1 1 1  -42    8   22 o   19.130   0.3498   20.270   0.4679   17.990   0.5200 2.283000 0.6995000 
1 1 1  -42    8   23 o   8.8960   0.9659   10.510   0.9563   7.2830   1.6780 3.226000 1.932000 
1 1 1  -42    8   24 o   14.360   0.5000   14.420   0.6592   14.300   0.7519 0.1227000 1.000000 
1 1 1  -42    8   25 o   16.670   0.4116   16.460   0.5680   16.890   0.5958 -0.4356000 0.8232000 
1 1 1  -42    8   26 o   4.2990   1.1540   3.9190   1.6100   4.6780   1.6530 -0.7589000 2.308000 
1 1 1  -42    8   27 o   6.1480   1.2200   5.2950   1.9450   7.0020   1.4720 -1.707000 2.439000 
1 1 1  -42    8   28 o   4.7250   1.4520   4.7820   2.2570   4.6690   1.8270 0.1133000 2.904000 
1 1 1  -42    8   29 f   9.3810   1.0590   8.7870   1.7820   9.9750   1.1440 -1.188000 2.117000 
1 1 1  -42    8   30 o   7.2830   1.1350   5.0680   1.8670   9.4990   1.2910 -4.431000 2.270000 
1 1 1  -42    8   31 o   12.330   0.6729   12.830   0.8647   11.830   1.0310 0.9913000 1.346000 
1 1 1  -42    8   32 o   7.2410   1.2350   5.4340   1.9290   9.0480   1.5420 -3.614000 2.470000 
1 1 1  -42    8   33 o   2.6850   0.9227   2.5210   1.2410   2.8490   1.3660 -0.3276000 1.845000 
1 1 1  -42    8   34 o   2.3070   0.8156   2.4340   1.2050   2.1800   1.0990 0.2534000 1.631000 
1 1 1  -42   10    1 o   21.480   0.3806   21.540   0.6100   21.420   0.4552 0.1188000 0.7611000 
1 1 1  -42   10    2 o   14.150   0.5584   13.400   0.8309   14.900   0.7463 -1.494000 1.117000 
1 1 1  -42   10    3 o   30.960   0.2860   30.770   0.3819   31.140   0.4257 -0.3744000 0.5719000 
1 1 1  -42   10    4 o   20.790   0.2708   20.800   0.3675   20.780   0.3977 0.1363000E-01 0.5416000 
1 1 1  -42   10    5 o   26.430   0.2590   26.280   0.3556   26.590   0.3766 -0.3074000 0.5180000 
1 1 1  -42   10    6 o   28.530   0.2625   28.470   0.3609   28.590   0.3813 -0.1264000 0.5250000 
1 1 1  -42   10    7 o   43.600   0.3169   43.530   0.4438   43.670   0.4523 -0.1359000 0.6337000 
1 1 1  -42   10    8 o   23.870   0.3497   24.290   0.4868   23.450   0.5022 0.8327000 0.6994000 
1 1 1  -42   10    9 f   44.900   0.4421   44.490   0.6959   45.310   0.5454 -0.8240000 0.8842000 
1 1 1  -42   10   10 o   12.580   0.4539   13.360   0.5515   11.810   0.7210 1.542000 0.9077000 
1 1 1  -42   10   11 o   17.160   0.3673   16.740   0.5140   17.570   0.5248 -0.8246000 0.7346000 
1 1 1  -42   10   12 o   45.300   0.3326   45.120   0.4698   45.480   0.4709 -0.3582000 0.6652000 
1 1 1  -42   10   13 o   13.590   0.5148   13.790   0.6710   13.390   0.7809 0.4037000 1.030000 
1 1 1  -42   10   14 o   13.560   0.8182   12.520   1.3000   14.610   0.9938 -2.088000 1.636000 
1 1 1  -42   10   15 o   18.250   0.5311   18.250   0.6783   18.240   0.8173 0.6317000E-02 1.062000 
1 1 1  -42   10   16 o   6.7310   0.9137   7.1800   1.1620   6.2810   1.4110 0.8993000 1.827000 
1 1 1  -42   10   17 o   29.600   0.2972   30.340   0.4199   28.860   0.4209 1.478000 0.5945000 
1 1 1  -42   10   18 o   8.3930   0.7317   7.3890   1.1390   9.3980   0.9193 -2.009000 1.463000 
1 1 1  -42   10   19 o   23.390   0.3130   23.590   0.4353   23.200   0.4498 0.3912000 0.6259000 
1 1 1  -42   10   20 o   25.850   0.3064   25.800   0.4298   25.900   0.4368 -0.9947000E-01 0.6128000 
1 1 1  -42   10   21 o   19.510   0.3985   19.850   0.5363   19.180   0.5895 0.6764000 0.7970000 
1 1 1  -42   10   22 o   46.690   0.3978   46.770   0.5636   46.610   0.5616 0.1530000 0.7956000 
1 1 1  -42   10   23 o   11.670   0.5973   11.250   0.8389   12.090   0.8506 -0.8406000 1.195000 
1 1 1  -42   10   24 o   22.660   0.3559   21.960   0.5210   23.370   0.4848 -1.404000 0.7117000 
1 1 1  -42   10   25 o   11.680   0.5940   10.860   0.8635   12.500   0.8159 -1.640000 1.188000 
1 1 1  -42   10   26 o   4.3820   1.1120   3.1910   1.4240   5.5720   1.7080 -2.382000 2.224000 
1 1 1  -42   10   27 o   4.4890   1.1780   3.9390   1.5930   5.0390   1.7360 -1.100000 2.356000 
1 1 1  -42   10   28 o   8.5540   1.1020   9.2520   1.3960   7.8560   1.7050 1.396000 2.204000 
1 1 1  -42   10   29 o   10.680   0.7783   11.140   1.0020   10.220   1.1920 0.9211000 1.557000 
1 1 1  -42   10   30 o   8.0110   1.3050   8.1520   2.0770   7.8700   1.5800 0.2823000 2.610000 
1 1 1  -42   10   31 o   10.780   1.0440   10.080   1.7060   11.480   1.2030 -1.395000 2.088000 
1 1 1  -42   10   32 o   2.9140   1.0020   2.8280   1.4100   3.0010   1.4240 -0.1727000 2.004000 
1 1 1  -42   10   33 o   2.3030   0.8194   2.4150   1.2110   2.1910   1.1040 0.2233000 1.639000 
1 1 1  -42   12    1 o   28.970   0.3310   29.070   0.4587   28.870   0.4774 0.1969000 0.6620000 
1 1 1  -42   12    2 o   34.820   0.3373   34.750   0.4720   34.890   0.4821 -0.1346000 0.6747000 
1 1 1  -42   12    3 o   16.930   0.3697   16.670   0.5285   17.200   0.5170 -0.5288000 0.7393000 
1 1 1  -42   12    4 o   4.7570   1.0530   5.2930   1.4210   4.2210   1.5530 1.072000 2.105000 
1 1 1  -42   12    5 o   18.200   0.4613   18.380   0.7432   18.020   0.5466 0.3588000 0.9226000 
1 1 1  -42   12    6 o   38.920   0.3940   38.970   0.6180   38.870   0.4889 0.9726000E-01 0.7880000 
1 1 1  -42   12    7 o   50.100   0.4009   50.010   0.5627   50.190   0.5712 -0.1786000 0.8019000 
1 1 1  -42   12    8 o   33.720   0.3303   34.140   0.4634   33.300   0.4708 0.8424000 0.6606000 
1 1 1  -42   12    9 o   50.070   0.4035   49.890   0.5664   50.250   0.5748 -0.3580000 0.8070000 
1 1 1  -42   12   10 f   55.680   0.4374   55.510   0.6137   55.850   0.6234 -0.3411000 0.8748000 
1 1 1  -42   12   11 o   8.9330   0.7070   8.9910   0.9263   8.8740   1.0680 0.1167000 1.414000 
1 1 1  -42   12   12 o   11.100   0.6006   10.790   0.8663   11.410   0.8322 -0.6198000 1.201000 
1 1 1  -42   12   13 o   28.750   0.3785   28.390   0.5476   29.120   0.5226 -0.7351000 0.7569000 
1 1 1  -42   12   14 o   22.690   0.4138   22.940   0.5880   22.430   0.5825 0.5045000 0.8277000 
1 1 1  -42   12   15 o   19.980   0.3497   19.800   0.4805   20.150   0.5083 -0.3536000 0.6995000 
1 1 1  -42   12   16 o   19.380   0.3591   19.700   0.4889   19.050   0.5261 0.6454000 0.7181000 
1 1 1  -42   12   17 o   16.890   0.3927   16.520   0.5428   17.260   0.5677 -0.7438000 0.7855000 
1 1 1  -42   12   18 o   12.640   0.5051   12.090   0.7181   13.200   0.7105 -1.109000 1.010000 
1 1 1  -42   12   19 o   13.480   0.5371   13.540   0.7094   13.420   0.8066 0.1116000 1.074000 
1 1 1  -42   12   20 o   10.460   0.7014   10.950   0.8695   9.9710   1.1010 0.9796000 1.403000 
1 1 1  -42   12   21 o   21.890   0.3482   21.690   0.4825   22.090   0.5022 -0.4070000 0.6964000 
1 1 1  -42   12   22 o   7.0290   1.0260   7.9110   1.1610   6.1470   1.6910 1.764000 2.051000 
1 1 1  -42   12   23 o   19.100   0.4200   19.010   0.5634   19.190   0.6230 -0.1811000 0.8400000 
1 1 1  -42   12   24 o   16.170   0.4572   16.380   0.6158   15.950   0.6758 0.4288000 0.9143000 
1 1 1  -42   12   25 o   4.3000   1.1480   4.8860   1.6560   3.7140   1.5900 1.173000 2.296000 
1 1 1  -42   12   26 o   12.830   0.6001   12.510   0.8301   13.150   0.8668 -0.6431000 1.200000 
1 1 1  -42   12   27 o   24.800   0.4466   24.770   0.6317   24.840   0.6315 -0.7304000E-01 0.8932000 
1 1 1  -42   12   28 o   10.680   0.9067   11.090   1.2110   10.260   1.3500 0.8282000 1.813000 
1 1 1  -42   12   29 o   4.2200   1.2540   3.4730   1.6050   4.9660   1.9260 -1.493000 2.507000 
1 1 1  -42   12   30 o   3.5660   1.1470   2.9630   1.4380   4.1680   1.7860 -1.205000 2.293000 
1 1 1  -42   12   31 o   3.6020   1.0750   4.7620   1.7730   2.4430   1.2170 2.319000 2.151000 
1 1 1  -42   12   32 o   2.7420   0.9474   2.5600   1.2790   2.9240   1.3980 -0.3642000 1.895000 
1 1 1  -42   14    1 o   17.420   0.3996   18.090   0.5144   16.740   0.6116 1.349000 0.7992000 
1 1 1  -42   14    2 o   26.590   0.3450   26.160   0.4254   27.030   0.5432 -0.8664000 0.6900000 
1 1 1  -42   14    3 o   6.2600   0.9636   6.2880   1.3590   6.2330   1.3670 0.5458000E-01 1.927000 
1 1 1  -42   14    4 o   16.050   0.4167   16.700   0.5507   15.400   0.6254 1.300000 0.8333000 
1 1 1  -42   14    5 o   7.1440   0.9103   6.8670   1.2820   7.4210   1.2920 -0.5543000 1.821000 
1 1 1  -42   14    6 o   6.7680   0.9718   6.5500   1.3590   6.9870   1.3900 -0.4368000 1.944000 
1 1 1  -42   14    7 o   24.510   0.3223   24.130   0.4491   24.880   0.4625 -0.7483000 0.6446000 
1 1 1  -42   14    8 o   20.050   0.3508   20.360   0.4746   19.740   0.5168 0.6231000 0.7017000 
1 1 1  -42   14    9 o   20.610   0.3490   20.530   0.4760   20.680   0.5106 -0.1529000 0.6981000 
1 1 1  -42   14   10 o   32.180   0.3031   32.270   0.4182   32.090   0.4387 0.1807000 0.6061000 
1 1 1  -42   14   11 o   28.710   0.3638   28.660   0.5000   28.770   0.5284 -0.1098000 0.7275000 
1 1 1  -42   14   12 o   8.7820   0.9122   8.6150   1.2420   8.9490   1.3360 -0.3341000 1.824000 
1 1 1  -42   14   13 o   11.300   0.5671   10.580   0.7890   12.020   0.8147 -1.438000 1.134000 
1 1 1  -42   14   14 o   16.830   0.4244   17.620   0.5544   16.040   0.6428 1.577000 0.8488000 
1 1 1  -42   14   15 o   15.150   0.5097   14.810   0.6944   15.490   0.7464 -0.6800000 1.019000 
1 1 1  -42   14   16 o   15.140   0.5099   15.000   0.6723   15.270   0.7668 -0.2749000 1.020000 
1 1 1  -42   14   17 o   20.480   0.4158   20.620   0.5486   20.330   0.6250 0.2917000 0.8316000 
1 1 1  -42   14   18 o   16.350   0.4348   15.900   0.6073   16.800   0.6224 -0.8985000 0.8696000 
1 1 1  -42   14   19 o   10.810   0.6429   10.170   0.9263   11.450   0.8917 -1.272000 1.286000 
1 1 1  -42   14   20 o   9.3700   0.7498   9.3990   1.0310   9.3400   1.0890 0.5911000E-01 1.500000 
1 1 1  -42   14   21 o   16.100   0.4630   15.980   0.6395   16.220   0.6696 -0.2480000 0.9259000 
1 1 1  -42   14   22 o   17.860   0.4715   18.150   0.6143   17.560   0.7155 0.5897000 0.9430000 
1 1 1  -42   14   23 o   16.880   0.4631   16.300   0.6442   17.460   0.6655 -1.159000 0.9263000 
1 1 1  -42   14   24 o   9.0630   0.8888   10.440   0.9660   7.6870   1.4920 2.751000 1.778000 
1 1 1  -42   14   25 o   13.160   0.6021   13.340   0.7853   12.990   0.9130 0.3535000 1.204000 
1 1 1  -42   14   26 o   7.9330   1.0410   8.3370   1.3160   7.5290   1.6130 0.8078000 2.082000 
1 1 1  -42   14   27 o   15.050   0.6698   15.270   0.9357   14.820   0.9587 0.4546000 1.340000 
1 1 1  -42   14   28 o   4.1620   1.2430   3.4150   1.5860   4.9100   1.9150 -1.495000 2.487000 
1 1 1  -42   14   29 o   4.1460   1.2000   4.4990   1.7390   3.7940   1.6530 0.7043000 2.399000 
1 1 1  -42   14   30 o   4.5950   1.2420   4.3610   1.7230   4.8280   1.7890 -0.4673000 2.484000 
1 1 1  -42   14   31 o   4.9860   1.2570   4.4880   1.7340   5.4830   1.8200 -0.9957000 2.514000 
1 1 1  -42   16    1 o   10.190   0.7122   10.860   0.8186   9.5190   1.1660 1.340000 1.424000 
1 1 1  -42   16    2 o   25.880   0.4650   25.520   0.5175   26.240   0.7727 -0.7218000 0.9300000 
1 1 1  -42   16    3 o   7.0670   1.0840   8.4890   1.2440   5.6460   1.7750 2.843000 2.168000 
1 1 1  -42   16    4 o   17.020   0.4832   17.240   0.6432   16.800   0.7213 0.4395000 0.9664000 
1 1 1  -42   16    5 o   14.060   0.5759   13.890   0.7814   14.230   0.8462 -0.3407000 1.152000 
1 1 1  -42   16    6 o   14.060   0.5762   14.050   0.7759   14.070   0.8521 -0.1697000E-01 1.152000 
1 1 1  -42   16    7 o   12.560   0.6309   12.770   0.8406   12.340   0.9410 0.4221000 1.262000 
1 1 1  -42   16    8 o   10.170   0.7570   9.7840   1.0580   10.560   1.0830 -0.7786000 1.514000 
1 1 1  -42   16    9 o   23.600   0.4117   23.870   0.5955   23.340   0.5685 0.5308000 0.8233000 
1 1 1  -42   16   10 o   10.270   0.7477   10.810   0.9008   9.7360   1.1940 1.078000 1.495000 
1 1 1  -42   16   11 o   19.810   0.4164   19.600   0.5502   20.030   0.6251 -0.4316000 0.8327000 
1 1 1  -42   16   12 o   5.4690   1.2220   5.3760   1.6320   5.5620   1.8200 -0.1858000 2.444000 
1 1 1  -42   16   13 o   19.880   0.4285   19.930   0.5503   19.830   0.6570 0.9624000E-01 0.8570000 
1 1 1  -42   16   14 o   6.4850   1.0580   5.5810   1.5560   7.3890   1.4340 -1.808000 2.116000 
1 1 1  -42   16   15 o   16.900   0.4597   17.660   0.6284   16.130   0.6712 1.530000 0.9195000 
1 1 1  -42   16   16 o   19.520   0.3997   19.530   0.5500   19.510   0.5802 0.2288000E-01 0.7995000 
1 1 1  -42   16   17 o   21.420   0.3756   21.350   0.5177   21.500   0.5443 -0.1497000 0.7512000 
1 1 1  -42   16   18 o   13.030   0.5585   13.060   0.7630   12.990   0.8158 0.6495000E-01 1.117000 
1 1 1  -42   16   19 o   16.490   0.4612   16.600   0.6335   16.370   0.6705 0.2352000 0.9225000 
1 1 1  -42   16   20 o   14.330   0.5671   14.780   0.7120   13.880   0.8828 0.9038000 1.134000 
1 1 1  -42   16   21 o   11.930   0.7222   13.140   0.8377   10.720   1.1770 2.419000 1.444000 
1 1 1  -42   16   22 o   8.7470   0.9086   9.3900   1.0840   8.1050   1.4590 1.285000 1.817000 
1 1 1  -42   16   23 o   3.9250   1.1370   3.0150   1.4060   4.8350   1.7860 -1.820000 2.273000 
1 1 1  -42   16   24 o   5.9690   1.2310   6.6490   1.6410   5.2900   1.8340 1.359000 2.461000 
1 1 1  -42   16   25 o   13.810   0.6120   13.580   0.8346   14.040   0.8952 -0.4590000 1.224000 
1 1 1  -42   16   26 o   6.4090   1.6110   6.6810   2.3340   6.1370   2.2220 0.5441000 3.223000 
1 1 1  -42   16   27 o   7.6340   1.1240   7.6640   1.5570   7.6040   1.6220 0.6047000E-01 2.249000 
1 1 1  -42   16   28 f   3.4930   1.1130   3.7120   1.6290   3.2740   1.5170 0.4380000 2.226000 
1 1 1  -42   16   29 o   2.8870   0.9775   3.2960   1.5210   2.4790   1.2280 0.8173000 1.955000 
1 1 1  -42   16   30 o   2.6000   0.9014   2.6490   1.2930   2.5510   1.2560 0.9784000E-01 1.803000 
1 1 1  -42   18    1 o   12.000   0.6252   11.070   0.8536   12.930   0.9137 -1.863000 1.250000 
1 1 1  -42   18    2 o   20.610   0.4120   20.340   0.5146   20.880   0.6436 -0.5355000 0.8240000 
1 1 1  -42   18    3 o   8.0610   0.9292   7.5000   1.2570   8.6220   1.3690 -1.121000 1.858000 
1 1 1  -42   18    4 o   9.3990   0.8364   10.940   0.8524   7.8580   1.4390 3.081000 1.673000 
1 1 1  -42   18    5 o   17.250   0.5102   17.590   0.5655   16.910   0.8493 0.6789000 1.020000 
1 1 1  -42   18    6 o   8.1840   1.0540   8.8410   1.0780   7.5270   1.8110 1.314000 2.107000 
1 1 1  -42   18    7 o   20.240   0.4591   20.560   0.5136   19.930   0.7612 0.6257000 0.9182000 
1 1 1  -42   18    8 o   23.430   0.3815   23.520   0.4777   23.340   0.5949 0.1805000 0.7630000 
1 1 1  -42   18    9 o   22.860   0.3548   23.100   0.4709   22.630   0.5308 0.4654000 0.7096000 
1 1 1  -42   18   10 o   12.030   0.6059   12.160   0.7914   11.900   0.9178 0.2589000 1.212000 
1 1 1  -42   18   11 o   10.460   0.6824   10.560   0.8941   10.350   1.0310 0.2131000 1.365000 
1 1 1  -42   18   12 o   12.680   0.5675   12.790   0.7457   12.580   0.8555 0.2068000 1.135000 
1 1 1  -42   18   13 o   9.7210   0.7460   9.8750   0.9632   9.5670   1.1390 0.3075000 1.492000 
1 1 1  -42   18   14 f   16.300   0.4634   15.490   0.6429   17.120   0.6676 -1.637000 0.9269000 
1 1 1  -42   18   15 o   8.8730   0.8686   9.8750   0.9871   7.8710   1.4300 2.004000 1.737000 
1 1 1  -42   18   16 o   4.2340   1.1620   4.3330   1.6200   4.1350   1.6670 0.1981000 2.325000 
1 1 1  -42   18   17 o   10.120   0.7626   10.350   1.0220   9.8880   1.1320 0.4597000 1.525000 
1 1 1  -42   18   18 o   3.9410   1.1590   4.0070   1.6460   3.8740   1.6320 0.1331000 2.318000 
1 1 1  -42   18   19 o   11.450   0.7734   12.540   0.9367   10.370   1.2310 2.170000 1.547000 
1 1 1  -42   18   20 o   9.4470   0.9157   8.7250   1.4010   10.170   1.1800 -1.443000 1.831000 
1 1 1  -42   18   21 o   3.5170   1.1050   3.7460   1.6080   3.2870   1.5160 0.4592000 2.210000 
1 1 1  -42   18   22 o   6.7550   1.1800   7.4040   1.5320   6.1060   1.7960 1.299000 2.361000 
1 1 1  -42   18   23 o   4.2610   1.2790   3.8490   1.7060   4.6740   1.9060 -0.8259000 2.558000 
1 1 1  -42   18   24 o   14.650   0.7073   13.960   1.0330   15.340   0.9662 -1.381000 1.415000 
1 1 1  -42   18   25 f   3.5510   1.1660   3.7410   1.7060   3.3620   1.5880 0.3792000 2.331000 
1 1 1  -42   18   26 o   2.5790   0.8988   2.4080   1.1990   2.7490   1.3390 -0.3408000 1.798000 
1 1 1  -42   18   27 o   3.3780   1.0720   4.1830   1.7280   2.5730   1.2690 1.610000 2.144000 
1 1 1  -42   18   28 o   3.0940   1.0270   3.0950   1.4510   3.0940   1.4550 0.9532000E-03 2.055000 
1 1 1  -42   18   29 o   2.1840   0.7856   2.3270   1.1730   2.0420   1.0450 0.2851000 1.571000 
1 1 1  -42   20    1 o   12.390   0.5994   12.790   0.8050   11.990   0.8883 0.8068000 1.199000 
1 1 1  -42   20    2 o   10.170   0.7446   10.680   0.9410   9.6700   1.1540 1.007000 1.489000 
1 1 1  -42   20    3 o   9.1420   0.8272   7.4410   1.3750   10.840   0.9205 -3.402000 1.654000 
1 1 1  -42   20    4 o   5.7560   1.1230   6.4410   1.5310   5.0710   1.6420 1.370000 2.245000 
1 1 1  -42   20    5 o   8.2930   0.9284   7.1800   1.4470   9.4050   1.1640 -2.225000 1.857000 
1 1 1  -42   20    6 o   4.7760   1.1980   5.0300   1.6670   4.5230   1.7200 0.5073000 2.396000 
1 1 1  -42   20    7 o   12.340   0.7633   13.750   0.7453   10.930   1.3320 2.814000 1.527000 
1 1 1  -42   20    8 o   12.050   0.7546   12.480   0.8215   11.620   1.2660 0.8591000 1.509000 
1 1 1  -42   20    9 o   19.690   0.4909   19.080   0.5623   20.310   0.8048 -1.237000 0.9817000 
1 1 1  -42   20   10 o   8.3910   1.1250   8.1660   1.2550   8.6170   1.8670 -0.4518000 2.250000 
1 1 1  -42   20   11 o   3.8680   1.2030   3.1660   1.4320   4.5700   1.9330 -1.404000 2.406000 
1 1 1  -42   20   12 o   17.100   0.5898   17.360   0.6207   16.840   1.0030 0.5227000 1.180000 
1 1 1  -42   20   13 o   8.2980   1.0450   7.9480   1.3130   8.6470   1.6260 -0.6989000 2.090000 
1 1 1  -42   20   14 f   13.770   0.5787   13.160   0.7995   14.370   0.8369 -1.203000 1.157000 
1 1 1  -42   20   15 o   10.530   0.7499   10.150   1.0310   10.920   1.0890 -0.7767000 1.500000 
1 1 1  -42   20   16 o   7.8450   1.0460   8.7480   1.2430   6.9410   1.6820 1.807000 2.091000 
1 1 1  -42   20   17 o   3.2300   1.0760   2.9700   1.4210   3.4900   1.6170 -0.5200000 2.152000 
1 1 1  -42   20   18 o   9.2690   1.0310   9.0620   1.4400   9.4770   1.4770 -0.4146000 2.062000 
1 1 1  -42   20   19 o   7.4660   1.1460   7.2880   1.5790   7.6430   1.6610 -0.3551000 2.291000 
1 1 1  -42   20   20 o   7.9220   1.2760   9.1360   1.5560   6.7080   2.0240 2.428000 2.553000 
1 1 1  -42   20   21 o   13.980   0.7348   14.210   1.0100   13.750   1.0670 0.4676000 1.470000 
1 1 1  -42   20   22 o   11.760   0.7518   11.620   1.0770   11.900   1.0490 -0.2835000 1.504000 
1 1 1  -42   20   23 o   3.5140   1.1550   3.0280   1.4750   3.9990   1.7770 -0.9716000 2.309000 
1 1 1  -42   20   24 o   5.7270   1.4410   5.5130   2.0300   5.9410   2.0470 -0.4279000 2.883000 
1 1 1  -42   20   25 o   4.1430   1.2180   3.8950   1.6760   4.3910   1.7670 -0.4962000 2.436000 
1 1 1  -42   20   26 o   2.4280   0.8547   2.5380   1.2530   2.3180   1.1630 0.2199000 1.709000 
1 1 1  -42   20   27 o   4.1830   1.2570   4.4830   1.8450   3.8830   1.7090 0.6003000 2.515000 
1 1 1  -42   22    1 o   18.280   0.4562   18.170   0.6310   18.390   0.6591 -0.2172000 0.9125000 
1 1 1  -42   22    2 o   12.560   0.6569   13.260   0.8094   11.870   1.0350 1.391000 1.314000 
1 1 1  -42   22    3 o   4.9690   1.1940   4.1680   1.6530   5.7690   1.7230 -1.601000 2.388000 
1 1 1  -42   22    4 o   9.2010   0.8290   8.9390   1.1910   9.4630   1.1530 -0.5237000 1.658000 
1 1 1  -42   22    5 f   6.5870   1.1870   5.8160   1.7000   7.3570   1.6570 -1.541000 2.375000 
1 1 1  -42   22    6 o   9.3760   0.8694   10.150   1.0440   8.5990   1.3900 1.553000 1.739000 
1 1 1  -42   22    7 o   7.1580   1.0850   6.9160   1.5080   7.3990   1.5600 -0.4826000 2.170000 
1 1 1  -42   22    8 o   5.9470   1.1910   6.6370   1.5760   5.2570   1.7870 1.380000 2.382000 
1 1 1  -42   22    9 o   13.920   0.5890   14.480   0.7641   13.350   0.8967 1.125000 1.178000 
1 1 1  -42   22   10 f   17.060   0.4904   17.290   0.6579   16.840   0.7274 0.4512000 0.9808000 
1 1 1  -42   22   11 f   8.6350   0.9476   9.1490   1.1930   8.1210   1.4720 1.028000 1.895000 
1 1 1  -42   22   12 f   3.9520   1.1230   4.9940   1.7230   2.9100   1.4400 2.085000 2.246000 
1 1 1  -42   22   13 o   11.710   1.3600   13.450   1.3070   9.9760   2.3850 3.473000 2.719000 
1 1 1  -42   22   14 o   7.4230   1.5590   5.8240   1.9290   9.0210   2.4500 -3.196000 3.118000 
1 1 1  -42   22   15 f   5.0620   1.4150   5.8450   1.9610   4.2790   2.0410 1.566000 2.831000 
1 1 1  -42   22   16 o   15.600   0.8052   17.710   0.8031   13.480   1.3960 4.228000 1.610000 
1 1 1  -42   22   17 o   3.4310   1.1420   3.6430   1.6490   3.2190   1.5810 0.4245000 2.284000 
1 1 1  -42   22   18 o   5.0970   1.3890   4.9290   1.9240   5.2660   2.0030 -0.3377000 2.778000 
1 1 1  -42   22   19 o   4.1150   1.2190   4.2090   1.7260   4.0220   1.7220 0.1871000 2.438000 
1 1 1  -42   22   20 o   8.3110   1.0940   8.9130   1.4240   7.7080   1.6620 1.205000 2.189000 
1 1 1  -42   22   21 o   13.270   0.8983   15.000   1.2330   11.540   1.3060 3.456000 1.797000 
1 1 1  -42   22   22 o   5.1730   1.3650   6.2030   2.0310   4.1420   1.8250 2.061000 2.731000 
1 1 1  -42   22   23 o   2.9850   1.0030   2.9590   1.4050   3.0120   1.4320 -0.5265000E-01 2.006000 
1 1 1  -42   22   24 o   2.9530   1.0040   2.3620   1.1780   3.5440   1.6260 -1.183000 2.008000 
1 1 1  -42   22   25 o   2.1910   0.7908   2.1510   1.0930   2.2310   1.1430 -0.7977000E-01 1.582000 
1 1 1  -42   24    1 o   16.480   0.7031   16.720   1.0680   16.250   0.9146 0.4699000 1.406000 
1 1 1  -42   24    2 o   7.4290   1.6110   7.7870   2.1100   7.0720   2.4340 0.7149000 3.221000 
1 1 1  -42   24    3 o   13.400   0.8849   12.370   1.4300   14.420   1.0420 -2.044000 1.770000 
1 1 1  -42   24    4 o   16.950   0.6087   17.200   0.8266   16.690   0.8938 0.5105000 1.217000 
1 1 1  -42   24    5 o   10.970   1.0060   11.960   1.1570   9.9740   1.6470 1.990000 2.013000 
1 1 1  -42   24    6 o   6.4900   1.4460   5.3070   2.1180   7.6720   1.9700 -2.365000 2.892000 
1 1 1  -42   24    7 o   7.9000   1.5140   9.0640   1.9740   6.7360   2.2970 2.328000 3.029000 
1 1 1  -42   24    8 o   16.700   0.8028   17.480   1.0460   15.920   1.2180 1.561000 1.606000 
1 1 1  -42   24    9 f   4.2880   1.3650   4.6500   2.0210   3.9250   1.8350 0.7255000 2.730000 
1 1 1  -42   24   10 o   4.5330   1.4070   4.6420   2.0180   4.4230   1.9610 0.2186000 2.814000 
1 1 1  -42   24   11 o   8.3910   1.3260   6.8520   2.2290   9.9310   1.4370 -3.080000 2.652000 
1 1 1  -42   24   12 o   9.8180   1.0070   9.1120   1.5180   10.520   1.3240 -1.413000 2.014000 
1 1 1  -42   24   13 o   13.040   0.7060   13.020   0.9023   13.070   1.0860 -0.4231000E-01 1.412000 
1 1 1  -42   24   14 o   8.0490   1.0780   7.2970   1.6340   8.8020   1.4070 -1.505000 2.156000 
1 1 1  -42   24   15 o   4.7870   1.2590   4.9320   1.7790   4.6410   1.7810 0.2916000 2.517000 
1 1 1  -42   24   16 o   9.0760   1.0550   9.5290   1.2820   8.6230   1.6750 0.9058000 2.110000 
1 1 1  -42   24   17 o   3.8410   1.1700   4.7120   1.8190   2.9700   1.4710 1.742000 2.339000 
1 1 1  -42   24   18 o   6.3620   1.1890   8.5290   1.4450   4.1950   1.8890 4.334000 2.378000 
1 1 1  -42   24   19 o   3.6690   1.2610   3.1840   1.5250   4.1540   2.0090 -0.9701000 2.522000 
1 1 1  -42   24   20 o   3.1480   1.0780   3.6480   1.6720   2.6480   1.3610 0.9997000 2.156000 
1 1 1  -42   24   21 o   3.3660   1.1120   3.3540   1.5650   3.3780   1.5810 -0.2388000E-01 2.225000 
1 1 1  -42   24   22 o   3.5320   1.1210   2.7910   1.3570   4.2740   1.7860 -1.483000 2.243000 
1 1 1  -42   24   23 f   1.2900   0.6738   1.2900   0.6738  ?   ?       ?      ? 
1 1 1  -42   26    1 f   11.550   0.7687   11.270   1.0620   11.830   1.1120 -0.5650000 1.537000 
1 1 1  -42   26    2 o   12.130   0.8127   12.670   0.9520   11.590   1.3170 1.084000 1.625000 
1 1 1  -42   26    3 o   16.140   0.5656   16.770   0.7479   15.500   0.8487 1.270000 1.131000 
1 1 1  -42   26    4 o   14.410   0.6758   14.130   0.8527   14.680   1.0490 -0.5495000 1.352000 
1 1 1  -42   26    5 o   4.5690   1.2720   4.6950   1.7930   4.4430   1.8060 0.2516000 2.545000 
1 1 1  -42   26    6 o   3.5170   1.1130   2.7850   1.3480   4.2490   1.7710 -1.464000 2.225000 
1 1 1  -42   26    7 o   5.5980   1.2880   4.7080   1.7910   6.4890   1.8510 -1.781000 2.576000 
1 1 1  -42   26    8 o   4.2370   1.2250   3.8940   1.6550   4.5810   1.8050 -0.6872000 2.449000 
1 1 1  -42   26    9 o   8.6670   1.0090   9.5070   1.2430   7.8270   1.5890 1.680000 2.017000 
1 1 1  -42   26   10 o   3.6380   1.1280   2.8990   1.3890   4.3780   1.7790 -1.479000 2.256000 
1 1 1  -42   26   11 o   10.040   0.8626   9.8020   1.2120   10.270   1.2280 -0.4677000 1.725000 
1 1 1  -42   26   12 o   15.050   0.5911   15.950   0.7859   14.150   0.8831 1.802000 1.182000 
1 1 1  -42   26   13 o   7.2810   1.1630   8.6240   1.4350   5.9380   1.8310 2.686000 2.326000 
1 1 1  -42   26   14 o   4.1440   1.2120   3.8440   1.6540   4.4450   1.7730 -0.6007000 2.424000 
1 1 1  -42   26   15 o   4.5340   1.2150   6.0740   1.9460   2.9940   1.4570 3.080000 2.431000 
1 1 1  -42   26   16 f   3.4570   1.1290   4.0340   1.7630   2.8800   1.4110 1.154000 2.258000 
1 1 1  -42   26   17 o   4.0350   1.2910   3.9630   1.8070   4.1070   1.8450 -0.1432000 2.582000 
1 1 1  -42   26   18 f   2.2530   0.8108   2.6310   1.3040   1.8760   0.9644 0.7542000 1.622000 
1 1 1  -42   26   19 o   2.7290   0.9352   2.5320   1.2450   2.9260   1.3950 -0.3940000 1.870000 
1 1 1  -42   28    1 o   3.9460   1.2970   3.9880   1.8360   3.9040   1.8310 0.8415000E-01 2.593000 
1 1 1  -42   28    2 o   5.0520   1.4000   5.1970   1.9520   4.9060   2.0080 0.2915000 2.800000 
1 1 1  -42   28    3 o   3.3380   1.1250   2.9210   1.4270   3.7540   1.7390 -0.8323000 2.250000 
1 1 1  -42   28    4 o   2.9150   1.0150   2.6020   1.2990   3.2280   1.5610 -0.6262000 2.031000 
1 1 1  -42   28    5 o   3.8160   1.2390   4.2510   1.8300   3.3810   1.6710 0.8704000 2.478000 
1 1 1  -42   28    6 o   5.6100   1.3740   4.2850   1.8350   6.9360   2.0440 -2.650000 2.747000 
1 1 1  -42   28    7 o   3.2920   1.1270   2.6900   1.3360   3.8930   1.8160 -1.202000 2.254000 
1 1 1  -42   28    8 o   3.5560   1.1930   3.2750   1.5860   3.8360   1.7820 -0.5616000 2.385000 
1 1 1  -42   28    9 o   2.9970   1.0450   2.8380   1.4130   3.1550   1.5390 -0.3161000 2.090000 
1 1 1  -42   28   10 o   3.3670   1.1340   2.6630   1.3370   4.0710   1.8320 -1.408000 2.268000 
1 1 1  -42   28   11 o   2.7740   0.9787   2.7880   1.3900   2.7600   1.3780 0.2797000E-01 1.957000 
1 1 1  -42   28   12 o   5.7520   1.4560   6.4370   2.1110   5.0680   2.0070 1.370000 2.912000 
1 1 1  -42   28   13 o   4.9040   1.3730   5.1220   2.0460   4.6850   1.8320 0.4363000 2.747000 
1 1 1  -42   28   14 o   2.9040   0.9779   3.2620   1.5030   2.5460   1.2520 0.7156000 1.956000 
1 1 1  -42   28   15 o   2.5550   0.9039   2.4740   1.2730   2.6370   1.2830 -0.1638000 1.808000 
1 1 1  -42   30    1 o   2.5370   0.9082   2.6090   1.3150   2.4660   1.2530 0.1426000 1.816000 
1 1 1  -42   30    2 o   2.9600   1.0050   2.8790   1.4040   3.0410   1.4390 -0.1627000 2.011000 
1 1 1  -42   30    3 o   2.9300   0.9834   3.3870   1.5360   2.4740   1.2280 0.9127000 1.967000 
1 1 1  -42   30    4 o   2.2150   0.7913   1.9190   0.9800   2.5100   1.2430 -0.5913000 1.583000 
1 1 1  -42   30    5 o   2.3020   0.8151   2.3990   1.1930   2.2050   1.1110 0.1947000 1.630000 
1 1 1  -42   30    6 o   2.1320   0.7809   2.0790   1.0790   2.1860   1.1290 -0.1064000 1.562000 
1 1 1  -42   30    7 o   2.0590   1.0690   2.0590   1.0690  ?   ?       ?      ? 
1 1 1  -41    1    1 o   40.590   0.3848   41.810   0.6035   39.360   0.4777 2.442000 0.7696000 
1 1 1  -41    1    2 o   44.510   0.4072   43.480   0.6249   45.540   0.5221 -2.059000 0.8143000 
1 1 1  -41    1    3 o   16.120   0.4109   16.190   0.5794   16.050   0.5829 0.1484000 0.8219000 
1 1 1  -41    1    4 o   32.170   0.3138   31.320   0.4401   33.010   0.4474 -1.687000 0.6276000 
1 1 1  -41    1    5 f   45.320   0.3658   45.050   0.5154   45.590   0.5194 -0.5382000 0.7317000 
1 1 1  -41    1    6 o   48.860   0.3837   49.000   0.5461   48.720   0.5392 0.2831000 0.7674000 
1 1 1  -41    1    7 o   40.290   0.3368   40.270   0.4779   40.310   0.4746 -0.3917000E-01 0.6735000 
1 1 1  -41    1    8 o   62.630   0.4720   62.410   0.6662   62.850   0.6688 -0.4362000 0.9440000 
1 1 1  -41    1    9 o   37.090   0.2803   37.610   0.3986   36.580   0.3941 1.033000 0.5606000 
1 1 1  -41    1   10 f   72.360   0.5716   72.560   0.6607   72.160   0.9328 0.4071000 1.143000 
1 1 1  -41    1   11 o   26.720   0.3345   26.480   0.3787   26.950   0.5515 -0.4647000 0.6690000 
1 1 1  -41    1   12 o   43.440   0.5033   43.650   0.5032   43.230   0.8718 0.4240000 1.007000 
1 1 1  -41    1   13 o   12.770   0.7637   13.200   0.8353   12.340   1.2790 0.8609000 1.527000 
1 1 1  -41    1   14 o   29.320   0.3635   28.650   0.4620   29.990   0.5614 -1.348000 0.7270000 
1 1 1  -41    1   15 f   63.240   0.5412   63.220   0.6822   63.270   0.8405 -0.4534000E-01 1.082000 
1 1 1  -41    1   16 o   18.710   0.4047   18.860   0.6596   18.560   0.4691 0.3016000 0.8094000 
1 1 1  -41    1   17 o   34.900   0.3552   35.320   0.5832   34.480   0.4058 0.8342000 0.7105000 
1 1 1  -41    1   18 o   16.950   0.4433   16.150   0.7373   17.750   0.4924 -1.597000 0.8866000 
1 1 1  -41    1   19 o   19.320   0.4001   19.530   0.6596   19.120   0.4530 0.4023000 0.8002000 
1 1 1  -41    1   20 o   25.050   0.3186   25.090   0.4884   25.010   0.4093 0.8586000E-01 0.6372000 
1 1 1  -41    1   21 o   36.050   0.2919   36.100   0.4144   36.010   0.4114 0.9629000E-01 0.5839000 
1 1 1  -41    1   22 o   19.600   0.4165   19.780   0.5466   19.410   0.6285 0.3689000 0.8330000 
1 1 1  -41    1   23 o   16.850   0.4167   16.250   0.5887   17.450   0.5899 -1.203000 0.8334000 
1 1 1  -41    1   24 o   25.050   0.3016   25.140   0.4296   24.960   0.4235 0.1810000 0.6032000 
1 1 1  -41    1   25 o   11.060   0.5491   10.870   0.7960   11.260   0.7567 -0.3923000 1.098000 
1 1 1  -41    1   26 o   19.240   0.3698   19.200   0.5247   19.280   0.5211 -0.8599000E-01 0.7395000 
1 1 1  -41    1   27 o   21.010   0.5355   21.150   0.7496   20.880   0.7651 0.2706000 1.071000 
1 1 1  -41    1   28 f   24.600   0.3951   24.440   0.5731   24.760   0.5441 -0.3183000 0.7902000 
1 1 1  -41    1   29 o   10.200   0.7310   11.440   0.8976   8.9490   1.1540 2.493000 1.462000 
1 1 1  -41    1   30 o   6.1560   1.1240   4.8250   1.7200   7.4870   1.4460 -2.662000 2.247000 
1 1 1  -41    1   31 o   18.080   0.4647   18.220   0.6562   17.940   0.6580 0.2801000 0.9293000 
1 1 1  -41    1   32 o   12.490   0.6584   12.570   0.9140   12.410   0.9480 0.1665000 1.317000 
1 1 1  -41    1   33 o   3.9270   1.1780   3.9270   1.6580   3.9270   1.6750 0.3672000E-04 2.357000 
1 1 1  -41    1   34 o   3.5410   1.0990   4.3210   1.7400   2.7620   1.3420 1.559000 2.197000 
1 1 1  -41    1   35 o   9.3980   1.2090   9.1010   1.7500   9.6960   1.6680 -0.5950000 2.418000 
1 1 1  -41    3    1 o   24.900   0.5271   24.900   0.5271  ?   ?       ?      ? 
1 1 1  -41    3    2 o   32.600   0.3556   33.600   0.5416   31.600   0.4608 1.997000 0.7111000 
1 1 1  -41    3    3 o   37.700   0.3935   37.090   0.4634   38.320   0.6360 -1.232000 0.7869000 
1 1 1  -41    3    4 o   42.550   0.4581   40.720   0.6257   44.380   0.6693 -3.663000 0.9162000 
1 1 1  -41    3    5 o   65.890   0.6145   64.900   0.8575   66.890   0.8804 -1.988000 1.229000 
1 1 1  -41    3    6 o   62.270   0.5841   62.600   0.8298   61.950   0.8223 0.6471000 1.168000 
1 1 1  -41    3    7 o   46.680   0.4712   47.020   0.6704   46.330   0.6624 0.6906000 0.9424000 
1 1 1  -41    3    8 o   50.820   0.5628   51.860   0.5612   49.780   0.9756 2.086000 1.126000 
1 1 1  -41    3    9 o   64.350   0.7288   65.280   0.8490   63.410   1.1850 1.869000 1.458000 
1 1 1  -41    3   10 o   27.320   0.3820   26.720   0.5305   27.910   0.5498 -1.194000 0.7640000 
1 1 1  -41    3   11 o   21.790   0.2918   21.710   0.4238   21.870   0.4013 -0.1612000 0.5836000 
1 1 1  -41    3   12 o   50.450   0.3450   50.260   0.4874   50.640   0.4883 -0.3803000 0.6900000 
1 1 1  -41    3   13 o   25.320   0.2826   25.100   0.4038   25.530   0.3955 -0.4270000 0.5653000 
1 1 1  -41    3   14 f   39.700   0.3519   40.110   0.5064   39.290   0.4888 0.8215000 0.7038000 
1 1 1  -41    3   15 o   24.480   0.3470   23.940   0.5063   25.020   0.4746 -1.079000 0.6940000 
1 1 1  -41    3   16 o   8.5960   0.6685   8.2920   0.9757   8.8990   0.9142 -0.6071000 1.337000 
1 1 1  -41    3   17 o   25.140   0.2884   25.300   0.4131   24.980   0.4027 0.3201000 0.5769000 
1 1 1  -41    3   18 o   14.470   0.4029   14.480   0.5752   14.470   0.5643 0.1154000E-01 0.8058000 
1 1 1  -41    3   19 f   19.080   0.3259   19.250   0.4608   18.910   0.4609 0.3349000 0.6517000 
1 1 1  -41    3   20 o   17.350   0.4329   17.550   0.7131   17.150   0.4911 0.4014000 0.8659000 
1 1 1  -41    3   21 o   18.750   0.4350   18.580   0.6938   18.920   0.5250 -0.3402000 0.8701000 
1 1 1  -41    3   22 o   25.450   0.3694   25.250   0.6097   25.650   0.4173 -0.3986000 0.7389000 
1 1 1  -41    3   23 o   9.8080   0.8964   9.1320   1.5550   10.480   0.8926 -1.351000 1.793000 
1 1 1  -41    3   24 o   16.180   0.4344   16.090   0.6756   16.280   0.5464 -0.1863000 0.8689000 
1 1 1  -41    3   25 o   12.130   0.5040   12.190   0.7016   12.060   0.7237 0.1350000 1.008000 
1 1 1  -41    3   26 o   11.730   0.6376   11.740   0.8805   11.710   0.9226 0.2890000E-01 1.275000 
1 1 1  -41    3   27 o   25.910   0.3254   25.590   0.4652   26.240   0.4552 -0.6411000 0.6509000 
1 1 1  -41    3   28 o   16.780   0.5183   16.450   0.7614   17.110   0.7034 -0.6621000 1.037000 
1 1 1  -41    3   29 o   4.8200   1.1510   3.9680   1.5940   5.6720   1.6610 -1.704000 2.302000 
1 1 1  -41    3   30 o   11.240   0.6848   11.460   0.9380   11.020   0.9979 0.4378000 1.370000 
1 1 1  -41    3   31 o   4.6700   1.2330   5.0160   1.7700   4.3250   1.7180 0.6908000 2.467000 
1 1 1  -41    3   32 o   10.370   0.8079   10.070   1.1660   10.670   1.1190 -0.5980000 1.616000 
1 1 1  -41    3   33 o   10.370   0.8381   11.730   1.0090   9.0150   1.3380 2.718000 1.676000 
1 1 1  -41    3   34 o   4.3850   1.2760   3.8880   1.7120   4.8820   1.8930 -0.9941000 2.552000 
1 1 1  -41    3   35 o   3.5860   1.1530   3.7810   1.6850   3.3910   1.5740 0.3905000 2.305000 
1 1 1  -41    5    1 o   29.250   0.3956   28.760   0.3691   29.730   0.6997 -0.9662000 0.7911000 
1 1 1  -41    5    2 o   36.470   0.4600   37.000   0.6305   35.940   0.6700 1.061000 0.9200000 
1 1 1  -41    5    3 o   38.010   0.6327   38.010   0.6327  ?   ?       ?      ? 
1 1 1  -41    5    4 o   59.640   0.7069   59.290   0.8046   59.990   1.1620 -0.6963000 1.414000 
1 1 1  -41    5    5 o   46.710   0.4864   47.020   0.6880   46.400   0.6877 0.6230000 0.9727000 
1 1 1  -41    5    6 o   35.280   0.4415   35.390   0.6235   35.160   0.6253 0.2377000 0.8830000 
1 1 1  -41    5    7 o   30.000   0.4436   29.830   0.6289   30.170   0.6257 -0.3393000 0.8871000 
1 1 1  -41    5    8 f   89.700   0.8173   88.890   1.1460   90.500   1.1660 -1.616000 1.635000 
1 1 1  -41    5    9 o   46.470   0.3529   45.500   0.5318   47.440   0.4641 -1.941000 0.7058000 
1 1 1  -41    5   10 o   38.570   0.3408   38.670   0.4805   38.460   0.4835 0.2142000 0.6817000 
1 1 1  -41    5   11 o   51.980   0.3829   51.600   0.5776   52.360   0.5027 -0.7568000 0.7657000 
1 1 1  -41    5   12 o   27.330   0.2783   27.680   0.3952   26.990   0.3920 0.6978000 0.5566000 
1 1 1  -41    5   13 o   48.530   0.3399   48.480   0.4802   48.570   0.4811 -0.9188000E-01 0.6797000 
1 1 1  -41    5   14 o   20.590   0.3162   20.730   0.4447   20.450   0.4495 0.2877000 0.6323000 
1 1 1  -41    5   15 f   38.240   0.3539   38.470   0.5076   38.010   0.4932 0.4560000 0.7077000 
1 1 1  -41    5   16 o   8.9210   0.6468   8.3680   0.9683   9.4750   0.8577 -1.107000 1.294000 
1 1 1  -41    5   17 o   3.1880   0.9557   2.6970   1.2430   3.6800   1.4520 -0.9829000 1.911000 
1 1 1  -41    5   18 o   43.750   0.3203   43.900   0.4569   43.600   0.4488 0.3016000 0.6405000 
1 1 1  -41    5   19 o   19.650   0.3785   19.980   0.5389   19.320   0.5316 0.6603000 0.7570000 
1 1 1  -41    5   20 o   33.740   0.3372   33.970   0.4823   33.510   0.4714 0.4602000 0.6745000 
1 1 1  -41    5   21 o   5.1780   1.0240   5.4710   1.4060   4.8850   1.4880 0.5854000 2.048000 
1 1 1  -41    5   22 o   3.1890   0.9658   3.4730   1.4230   2.9050   1.3060 0.5686000 1.932000 
1 1 1  -41    5   23 o   4.2560   1.0520   3.1720   1.4010   5.3400   1.5710 -2.168000 2.105000 
1 1 1  -41    5   24 o   23.620   0.4616   23.350   0.7718   23.900   0.5065 -0.5532000 0.9232000 
1 1 1  -41    5   25 o   8.9350   0.9313   9.3470   1.3740   8.5220   1.2580 0.8250000 1.863000 
1 1 1  -41    5   26 o   17.220   0.5034   17.390   0.8199   17.060   0.5845 0.3291000 1.007000 
1 1 1  -41    5   27 o   30.250   0.3995   30.180   0.6649   30.320   0.4430 -0.1393000 0.7990000 
1 1 1  -41    5   28 o   8.6440   0.9814   8.3430   1.4650   8.9440   1.3070 -0.6015000 1.963000 
1 1 1  -41    5   29 o   16.070   0.4837   16.240   0.6758   15.900   0.6922 0.3410000 0.9674000 
1 1 1  -41    5   30 o   3.5190   1.0870   2.7910   1.3370   4.2470   1.7140 -1.456000 2.174000 
1 1 1  -41    5   31 o   16.430   0.5097   16.240   0.7221   16.630   0.7194 -0.3911000 1.019000 
1 1 1  -41    5   32 o   11.150   0.7431   11.080   1.0350   11.230   1.0670 -0.1497000 1.486000 
1 1 1  -41    5   33 o   6.0070   1.2790   4.5970   1.8420   7.4160   1.7750 -2.819000 2.558000 
1 1 1  -41    5   34 o   4.0790   1.1650   5.4920   1.9070   2.6670   1.3400 2.825000 2.330000 
1 1 1  -41    5   35 f   3.1620   1.0320   3.7590   1.6220   2.5660   1.2760 1.193000 2.064000 
1 1 1  -41    7    1 o   16.080   0.3470   16.060   0.4755   16.110   0.5054 -0.4865000E-01 0.6939000 
1 1 1  -41    7    2 o   41.070   0.4876   40.720   0.6665   41.410   0.7118 -0.6970000 0.9752000 
1 1 1  -41    7    3 o   27.950   0.6795   27.950   0.6795  ?   ?       ?      ? 
1 1 1  -41    7    4 f   70.320   0.6611   69.380   0.9212   71.270   0.9484 -1.889000 1.322000 
1 1 1  -41    7    5 o   77.010   0.7140   76.080   0.9961   77.940   1.0230 -1.866000 1.428000 
1 1 1  -41    7    6 o   25.040   0.5020   25.530   0.6853   24.550   0.7337 0.9839000 1.004000 
1 1 1  -41    7    7 o   29.050   0.4701   28.700   0.6632   29.400   0.6663 -0.6964000 0.9402000 
1 1 1  -41    7    8 o   38.760   0.4625   38.860   0.6538   38.650   0.6542 0.2051000 0.9249000 
1 1 1  -41    7    9 o   37.650   0.3145   37.460   0.4755   37.830   0.4116 -0.3758000 0.6290000 
1 1 1  -41    7   10 o   37.590   0.3428   38.130   0.4842   37.040   0.4854 1.097000 0.6856000 
1 1 1  -41    7   11 o   20.810   0.3181   20.870   0.4709   20.760   0.4279 0.1185000 0.6363000 
1 1 1  -41    7   12 o   13.480   0.4266   13.860   0.5910   13.100   0.6153 0.7661000 0.8532000 
1 1 1  -41    7   13 o   17.670   0.3471   16.910   0.4957   18.420   0.4860 -1.507000 0.6942000 
1 1 1  -41    7   14 o   32.000   0.2883   32.120   0.4112   31.880   0.4041 0.2361000 0.5765000 
1 1 1  -41    7   15 o   6.7320   1.1410   7.3080   1.5970   6.1550   1.6300 1.153000 2.281000 
1 1 1  -41    7   16 o   7.1420   0.8565   5.4870   1.4320   8.7960   0.9403 -3.310000 1.713000 
1 1 1  -41    7   17 o   28.610   0.3951   27.260   0.6747   29.960   0.4112 -2.701000 0.7902000 
1 1 1  -41    7   18 o   17.470   0.4217   18.120   0.5775   16.830   0.6146 1.289000 0.8434000 
1 1 1  -41    7   19 o   17.940   0.3475   18.640   0.4693   17.240   0.5126 1.399000 0.6950000 
1 1 1  -41    7   20 o   6.4680   0.9050   6.0960   1.3070   6.8400   1.2520 -0.7442000 1.810000 
1 1 1  -41    7   21 o   6.6550   0.8892   7.1970   1.1280   6.1130   1.3750 1.084000 1.778000 
1 1 1  -41    7   22 o   4.2840   1.0610   4.2460   1.4840   4.3220   1.5170 -0.7600000E-01 2.122000 
1 1 1  -41    7   23 o   25.610   0.3340   25.320   0.4531   25.900   0.4907 -0.5795000 0.6679000 
1 1 1  -41    7   24 o   9.6740   0.8060   8.7560   1.1270   10.590   1.1520 -1.836000 1.612000 
1 1 1  -41    7   25 o   3.8740   1.0810   3.6500   1.4870   4.0980   1.5700 -0.4479000 2.163000 
1 1 1  -41    7   26 o   21.980   0.3526   22.480   0.4857   21.480   0.5114 0.9976000 0.7053000 
1 1 1  -41    7   27 o   19.200   0.4167   19.220   0.6125   19.180   0.5653 0.3684000E-01 0.8335000 
1 1 1  -41    7   28 o   3.5900   1.2260   3.8920   1.9210   3.2880   1.5230 0.6038000 2.452000 
1 1 1  -41    7   29 o   10.630   0.9099   10.300   1.5160   10.960   1.0070 -0.6602000 1.820000 
1 1 1  -41    7   30 o   5.8350   1.2670   7.9010   1.9450   3.7680   1.6250 4.133000 2.535000 
1 1 1  -41    7   31 o   7.1120   1.1450   4.9280   1.8660   9.2970   1.3290 -4.369000 2.291000 
1 1 1  -41    7   32 o   3.4120   1.0850   4.5110   1.8320   2.3140   1.1620 2.197000 2.170000 
1 1 1  -41    7   33 o   12.010   0.8262   10.160   1.3250   13.870   0.9879 -3.707000 1.652000 
1 1 1  -41    7   34 o   10.420   0.8088   9.7700   1.1980   11.070   1.0870 -1.297000 1.618000 
1 1 1  -41    9    1 o   22.880   0.4063   22.750   0.5824   23.000   0.5668 -0.2477000 0.8127000 
1 1 1  -41    9    2 o   19.410   0.4152   19.730   0.5923   19.080   0.5822 0.6509000 0.8305000 
1 1 1  -41    9    3 o   42.870   0.4897   42.870   0.4897  ?   ?       ?      ? 
1 1 1  -41    9    4 o   52.310   0.5391   52.530   0.7612   52.080   0.7637 0.4488000 1.078000 
1 1 1  -41    9    5 o   35.090   0.4796   34.780   0.6698   35.410   0.6867 -0.6348000 0.9593000 
1 1 1  -41    9    6 o   19.710   0.6235   19.130   0.8735   20.290   0.8899 -1.163000 1.247000 
1 1 1  -41    9    7 o   23.880   0.4272   23.260   0.7710   24.510   0.3683 -1.252000 0.8545000 
1 1 1  -41    9    8 o   19.960   0.2760   19.970   0.3670   19.950   0.4124 0.1347000E-01 0.5520000 
1 1 1  -41    9    9 o   27.770   0.3298   27.600   0.4537   27.930   0.4787 -0.3245000 0.6596000 
1 1 1  -41    9   10 o   20.460   0.3583   21.050   0.4763   19.860   0.5354 1.192000 0.7166000 
1 1 1  -41    9   11 o   14.220   0.4211   14.560   0.5616   13.890   0.6276 0.6647000 0.8422000 
1 1 1  -41    9   12 o   23.750   0.3078   23.850   0.4274   23.650   0.4429 0.1977000 0.6155000 
1 1 1  -41    9   13 o   30.120   0.2930   30.150   0.4154   30.090   0.4133 0.5886000E-01 0.5860000 
1 1 1  -41    9   14 o   18.900   0.3934   18.720   0.4952   19.070   0.6114 -0.3484000 0.7868000 
1 1 1  -41    9   15 o   19.730   0.5764   19.340   0.8838   20.110   0.7401 -0.7700000 1.153000 
1 1 1  -41    9   16 o   23.750   0.3578   23.220   0.5135   24.280   0.4984 -1.063000 0.7156000 
1 1 1  -41    9   17 o   32.060   0.2947   31.780   0.4170   32.340   0.4165 -0.5576000 0.5894000 
1 1 1  -41    9   18 o   5.0840   1.0410   5.5230   1.4090   4.6460   1.5330 0.8776000 2.082000 
1 1 1  -41    9   19 o   27.310   0.2987   27.080   0.4232   27.540   0.4215 -0.4664000 0.5973000 
1 1 1  -41    9   20 o   48.310   0.3478   48.040   0.4916   48.590   0.4920 -0.5512000 0.6955000 
1 1 1  -41    9   21 o   25.270   0.3089   25.100   0.4374   25.440   0.4363 -0.3409000 0.6178000 
1 1 1  -41    9   22 o   31.180   0.3445   31.840   0.4810   30.520   0.4932 1.320000 0.6890000 
1 1 1  -41    9   23 o   17.270   0.4902   16.520   0.6547   18.020   0.7297 -1.502000 0.9804000 
1 1 1  -41    9   24 o   8.3520   0.7923   7.7630   1.1850   8.9410   1.0520 -1.178000 1.585000 
1 1 1  -41    9   25 f   3.6080   1.0610   3.6580   1.4880   3.5580   1.5130 0.9974000E-01 2.122000 
1 1 1  -41    9   26 o   5.9050   1.1070   5.8830   1.5060   5.9270   1.6230 -0.4409000E-01 2.214000 
1 1 1  -41    9   27 o   15.200   0.4891   14.700   0.6874   15.700   0.6960 -0.9954000 0.9782000 
1 1 1  -41    9   28 o   4.1810   1.2340   4.4440   1.7840   3.9180   1.7040 0.5260000 2.467000 
1 1 1  -41    9   29 o   3.4710   1.0910   3.3270   1.4950   3.6160   1.5890 -0.2892000 2.182000 
1 1 1  -41    9   30 o   6.3560   1.2200   4.9860   1.8510   7.7260   1.5900 -2.740000 2.440000 
1 1 1  -41    9   31 o   8.7700   1.2930   8.4300   2.0100   9.1100   1.6280 -0.6793000 2.586000 
1 1 1  -41    9   32 o   4.6790   1.3540   4.1270   1.8890   5.2300   1.9410 -1.103000 2.708000 
1 1 1  -41    9   33 o   3.5170   1.1640   4.1090   1.8640   2.9250   1.3950 1.185000 2.328000 
1 1 1  -41    9   34 o   2.4350   0.8546   2.4450   1.2140   2.4240   1.2030 0.2106000E-01 1.709000 
1 1 1  -41   11    1 o   19.340   0.3426   19.580   0.4706   19.090   0.4981 0.4963000 0.6852000 
1 1 1  -41   11    2 o   27.680   0.2923   28.040   0.4063   27.310   0.4204 0.7355000 0.5846000 
1 1 1  -41   11    3 o   33.570   0.3608   33.580   0.5170   33.570   0.5034 0.1026000E-01 0.7216000 
1 1 1  -41   11    4 o   10.360   0.7824   10.910   1.0050   9.8050   1.1990 1.108000 1.565000 
1 1 1  -41   11    5 o   31.910   0.3574   31.760   0.4926   32.050   0.5180 -0.2943000 0.7148000 
1 1 1  -41   11    6 o   10.730   0.7647   9.5490   1.1890   11.900   0.9618 -2.355000 1.529000 
1 1 1  -41   11    7 o   3.5700   1.0830   2.8610   1.3410   4.2790   1.7020 -1.417000 2.167000 
1 1 1  -41   11    8 o   15.080   0.4405   15.890   0.6354   14.270   0.6102 1.619000 0.8810000 
1 1 1  -41   11    9 o   8.5080   0.6978   8.7380   0.8893   8.2780   1.0760 0.4602000 1.396000 
1 1 1  -41   11   10 o   9.3070   0.6840   8.7610   0.9860   9.8540   0.9481 -1.093000 1.368000 
1 1 1  -41   11   11 o   14.490   0.6132   15.570   0.5852   13.410   1.0780 2.164000 1.226000 
1 1 1  -41   11   12 o   18.160   0.4248   18.570   0.5606   17.760   0.6384 0.8100000 0.8496000 
1 1 1  -41   11   13 o   9.8740   0.7782   10.360   0.9755   9.3930   1.2130 0.9622000 1.556000 
1 1 1  -41   11   14 o   3.9970   1.1930   4.0430   1.7130   3.9510   1.6610 0.9247000E-01 2.386000 
1 1 1  -41   11   15 o   15.910   0.4101   15.820   0.5597   16.010   0.5995 -0.1858000 0.8202000 
1 1 1  -41   11   16 o   14.680   0.4375   14.570   0.5995   14.780   0.6372 -0.2058000 0.8749000 
1 1 1  -41   11   17 o   13.610   0.4715   12.750   0.6863   14.470   0.6468 -1.721000 0.9430000 
1 1 1  -41   11   18 o   7.6660   0.8571   8.7760   0.9778   6.5560   1.4080 2.220000 1.714000 
1 1 1  -41   11   19 o   14.310   0.4502   14.680   0.6021   13.950   0.6696 0.7294000 0.9005000 
1 1 1  -41   11   20 o   24.970   0.3509   24.970   0.4814   24.970   0.5107 -0.3189000E-02 0.7018000 
1 1 1  -41   11   21 o   22.280   0.3718   22.860   0.4979   21.710   0.5524 1.155000 0.7437000 
1 1 1  -41   11   22 o   21.960   0.3439   22.160   0.4714   21.760   0.5008 0.4003000 0.6877000 
1 1 1  -41   11   23 o   27.830   0.3520   28.190   0.4813   27.470   0.5137 0.7173000 0.7040000 
1 1 1  -41   11   24 o   9.1310   0.7502   9.2600   1.0100   9.0020   1.1100 0.2577000 1.500000 
1 1 1  -41   11   25 o   3.4290   1.0200   4.2370   1.6020   2.6210   1.2640 1.616000 2.041000 
1 1 1  -41   11   26 f   21.120   0.3888   21.300   0.5231   20.950   0.5753 0.3494000 0.7775000 
1 1 1  -41   11   27 o   5.7420   1.2460   4.6180   1.6880   6.8670   1.8330 -2.249000 2.492000 
1 1 1  -41   11   28 o   12.020   0.7719   12.500   1.0220   11.540   1.1570 0.9575000 1.544000 
1 1 1  -41   11   29 o   11.060   0.7497   11.640   0.9529   10.480   1.1580 1.160000 1.499000 
1 1 1  -41   11   30 o   4.9340   1.3660   4.7530   1.8960   5.1150   1.9680 -0.3623000 2.733000 
1 1 1  -41   11   31 o   8.9860   1.0300   9.2360   1.3010   8.7350   1.5980 0.5015000 2.061000 
1 1 1  -41   11   32 o   3.4600   1.1020   3.6600   1.6100   3.2590   1.5060 0.4016000 2.204000 
1 1 1  -41   11   33 o   4.6390   1.3000   4.8350   1.9190   4.4420   1.7550 0.3931000 2.601000 
1 1 1  -41   13    1 o   25.730   0.3164   25.110   0.4389   26.350   0.4558 -1.244000 0.6328000 
1 1 1  -41   13    2 o   31.950   0.3467   32.890   0.5353   31.010   0.4406 1.877000 0.6933000 
1 1 1  -41   13    3 o   37.010   0.3417   36.820   0.4839   37.190   0.4824 -0.3635000 0.6833000 
1 1 1  -41   13    4 o   13.200   0.5137   12.970   0.7154   13.440   0.7374 -0.4700000 1.027000 
1 1 1  -41   13    5 o   14.300   0.4893   14.940   0.6393   13.650   0.7410 1.297000 0.9787000 
1 1 1  -41   13    6 o   15.010   0.4802   15.360   0.6409   14.670   0.7154 0.6925000 0.9604000 
1 1 1  -41   13    7 o   15.770   0.4283   16.190   0.5660   15.360   0.6431 0.8254000 0.8567000 
1 1 1  -41   13    8 o   42.870   0.3258   43.190   0.4582   42.550   0.4634 0.6362000 0.6516000 
1 1 1  -41   13    9 o   45.190   0.3365   45.340   0.4732   45.050   0.4787 0.2910000 0.6731000 
1 1 1  -41   13   10 o   49.840   0.3553   50.040   0.4998   49.640   0.5053 0.4024000 0.7107000 
1 1 1  -41   13   11 o   23.940   0.3273   24.470   0.4357   23.400   0.4886 1.066000 0.6547000 
1 1 1  -41   13   12 o   23.770   0.3926   24.110   0.5270   23.430   0.5820 0.6756000 0.7851000 
1 1 1  -41   13   13 o   4.8280   1.2490   4.1240   1.7170   5.5320   1.8160 -1.408000 2.499000 
1 1 1  -41   13   14 o   13.900   0.4875   13.530   0.6806   14.270   0.6981 -0.7452000 0.9749000 
1 1 1  -41   13   15 o   15.310   0.4433   15.310   0.6058   15.310   0.6474 0.1525000E-02 0.8867000 
1 1 1  -41   13   16 o   3.5120   1.0470   3.7050   1.4990   3.3190   1.4610 0.3859000 2.094000 
1 1 1  -41   13   17 o   4.9090   1.1920   4.5560   1.6190   5.2630   1.7490 -0.7070000 2.383000 
1 1 1  -41   13   18 o   9.5690   0.7805   9.8050   0.9933   9.3330   1.2040 0.4726000 1.561000 
1 1 1  -41   13   19 o   29.050   0.3176   29.040   0.4465   29.070   0.4519 -0.3201000E-01 0.6353000 
1 1 1  -41   13   20 o   13.290   0.5245   14.050   0.6714   12.540   0.8061 1.517000 1.049000 
1 1 1  -41   13   21 o   7.9010   0.8825   8.3530   1.1110   7.4480   1.3710 0.9050000 1.765000 
1 1 1  -41   13   22 o   17.650   0.4523   17.520   0.5991   17.780   0.6778 -0.2604000 0.9046000 
1 1 1  -41   13   23 o   28.260   0.3339   28.380   0.4653   28.140   0.4790 0.2458000 0.6678000 
1 1 1  -41   13   24 o   11.260   0.6579   10.680   0.9327   11.830   0.9280 -1.153000 1.316000 
1 1 1  -41   13   25 o   8.1450   0.9478   7.6630   1.3550   8.6270   1.3260 -0.9639000 1.896000 
1 1 1  -41   13   26 o   7.1950   1.0820   6.7960   1.5160   7.5940   1.5450 -0.7978000 2.164000 
1 1 1  -41   13   27 o   18.540   0.5455   18.260   0.7598   18.820   0.7831 -0.5597000 1.091000 
1 1 1  -41   13   28 o   11.690   0.7211   12.170   0.9334   11.210   1.1000 0.9640000 1.442000 
1 1 1  -41   13   29 o   11.960   0.9358   13.570   1.2130   10.340   1.4250 3.227000 1.872000 
1 1 1  -41   13   30 o   5.1740   1.2380   4.2920   1.7090   6.0570   1.7910 -1.766000 2.476000 
1 1 1  -41   13   31 o   3.0380   1.0120   2.6990   1.3090   3.3760   1.5440 -0.6765000 2.024000 
1 1 1  -41   13   32 o   3.7300   1.1490   3.7460   1.6220   3.7140   1.6260 0.3162000E-01 2.297000 
1 1 1  -41   15    1 o   17.900   0.5332   17.200   0.6187   18.600   0.8687 -1.403000 1.066000 
1 1 1  -41   15    2 o   7.9840   1.1090   7.8590   1.2960   8.1080   1.8010 -0.2486000 2.219000 
1 1 1  -41   15    3 o   26.060   0.4649   25.980   0.5164   26.130   0.7731 -0.1514000 0.9297000 
1 1 1  -41   15    4 o   3.4620   1.1230   3.0950   1.4070   3.8280   1.7510 -0.7330000 2.246000 
1 1 1  -41   15    5 o   16.970   0.4206   16.800   0.5700   17.140   0.6188 -0.3389000 0.8413000 
1 1 1  -41   15    6 o   21.680   0.3517   21.240   0.4838   22.120   0.5106 -0.8759000 0.7034000 
1 1 1  -41   15    7 o   15.150   0.5048   15.410   0.6159   14.900   0.7999 0.5053000 1.010000 
1 1 1  -41   15    8 o   24.410   0.3818   24.910   0.5224   23.900   0.5570 1.009000 0.7637000 
1 1 1  -41   15    9 o   12.140   0.6564   12.320   0.8689   11.970   0.9842 0.3496000 1.313000 
1 1 1  -41   15   10 o   14.540   0.5639   15.330   0.7198   13.750   0.8682 1.585000 1.128000 
1 1 1  -41   15   11 o   27.960   0.3160   27.950   0.4268   27.960   0.4662 -0.9672000E-02 0.6321000 
1 1 1  -41   15   12 o   8.1720   0.8349   8.0860   1.1000   8.2580   1.2560 -0.1717000 1.670000 
1 1 1  -41   15   13 o   9.6600   0.8471   11.180   0.8609   8.1360   1.4590 3.047000 1.694000 
1 1 1  -41   15   14 o   32.460   0.3879   32.480   0.5742   32.430   0.5217 0.5033000E-01 0.7758000 
1 1 1  -41   15   15 o   21.680   0.4036   21.300   0.5490   22.050   0.5917 -0.7559000 0.8072000 
1 1 1  -41   15   16 o   13.020   0.5394   12.840   0.7434   13.190   0.7818 -0.3552000 1.079000 
1 1 1  -41   15   17 o   5.8430   1.1350   5.6230   1.5800   6.0630   1.6300 -0.4396000 2.270000 
1 1 1  -41   15   18 o   21.370   0.3710   21.700   0.5058   21.040   0.5429 0.6630000 0.7421000 
1 1 1  -41   15   19 o   13.390   0.5383   13.400   0.7306   13.380   0.7907 0.2640000E-01 1.077000 
1 1 1  -41   15   20 o   14.470   0.5128   13.650   0.7353   15.290   0.7151 -1.635000 1.026000 
1 1 1  -41   15   21 o   13.390   0.6035   13.200   0.8074   13.590   0.8970 -0.3911000 1.207000 
1 1 1  -41   15   22 o   4.3080   1.1540   3.3890   1.5090   5.2270   1.7480 -1.838000 2.309000 
1 1 1  -41   15   23 o   8.9600   0.8476   8.5310   1.1890   9.3880   1.2080 -0.8569000 1.695000 
1 1 1  -41   15   24 o   18.920   0.4442   19.730   0.5775   18.100   0.6750 1.633000 0.8883000 
1 1 1  -41   15   25 o   11.300   0.7170   11.720   0.9047   10.890   1.1130 0.8361000 1.434000 
1 1 1  -41   15   26 o   4.3950   1.2900   4.6690   1.8590   4.1220   1.7880 0.5468000 2.579000 
1 1 1  -41   15   27 o   3.6550   1.2320   3.6520   1.7470   3.6570   1.7390 -0.5051000E-02 2.465000 
1 1 1  -41   15   28 o   12.060   0.7112   12.440   0.9451   11.670   1.0630 0.7711000 1.422000 
1 1 1  -41   15   29 o   11.070   0.7955   12.370   0.9690   9.7630   1.2620 2.608000 1.591000 
1 1 1  -41   15   30 o   2.9020   0.9766   2.3080   1.1580   3.4970   1.5730 -1.189000 1.953000 
1 1 1  -41   15   31 o   2.6010   0.9016   2.3970   1.1930   2.8050   1.3520 -0.4082000 1.803000 
1 1 1  -41   17    1 o   8.6350   0.8484   8.1730   1.2450   9.0980   1.1530 -0.9251000 1.697000 
1 1 1  -41   17    2 o   27.670   0.3548   27.770   0.4953   27.570   0.5082 0.1967000 0.7096000 
1 1 1  -41   17    3 o   20.530   0.4161   20.710   0.5501   20.340   0.6243 0.3701000 0.8321000 
1 1 1  -41   17    4 o   12.330   0.6062   12.340   0.8301   12.320   0.8837 0.2203000E-01 1.212000 
1 1 1  -41   17    5 o   5.9380   1.2450   6.3310   1.5750   5.5440   1.9280 0.7872000 2.490000 
1 1 1  -41   17    6 o   13.200   0.6519   13.420   0.7729   12.970   1.0500 0.4558000 1.304000 
1 1 1  -41   17    7 f   24.730   0.4084   24.500   0.5049   24.950   0.6419 -0.4432000 0.8167000 
1 1 1  -41   17    8 o   4.7560   1.2560   4.4760   1.6630   5.0370   1.8820 -0.5602000 2.512000 
1 1 1  -41   17    9 o   13.040   0.6647   13.240   0.7611   12.830   1.0900 0.4017000 1.329000 
1 1 1  -41   17   10 o   14.120   0.5656   14.100   0.7245   14.140   0.8686 -0.4495000E-01 1.131000 
1 1 1  -41   17   11 o   20.300   0.3814   19.950   0.5181   20.660   0.5599 -0.7106000 0.7629000 
1 1 1  -41   17   12 o   8.4850   0.8613   8.9170   1.0530   8.0520   1.3630 0.8653000 1.723000 
1 1 1  -41   17   13 o   14.100   0.5112   13.960   0.6787   14.250   0.7646 -0.2995000 1.022000 
1 1 1  -41   17   14 o   6.7800   1.0500   5.9220   1.5360   7.6390   1.4310 -1.717000 2.099000 
1 1 1  -41   17   15 o   7.8720   0.9266   6.4130   1.4500   9.3310   1.1550 -2.917000 1.853000 
1 1 1  -41   17   16 o   7.4080   1.0070   6.5260   1.5300   8.2910   1.3100 -1.765000 2.014000 
1 1 1  -41   17   17 o   10.900   0.6845   10.940   0.9296   10.850   1.0050 0.9521000E-01 1.369000 
1 1 1  -41   17   18 o   22.550   0.3753   22.350   0.5285   22.760   0.5332 -0.4101000 0.7507000 
1 1 1  -41   17   19 o   9.9490   0.8021   9.8100   1.0710   10.090   1.1940 -0.2770000 1.604000 
1 1 1  -41   17   20 o   13.300   0.6287   13.260   0.8439   13.330   0.9322 -0.7019000E-01 1.257000 
1 1 1  -41   17   21 o   3.8710   1.1390   3.1960   1.4520   4.5460   1.7560 -1.350000 2.279000 
1 1 1  -41   17   22 o   8.4620   0.9745   7.3040   1.5060   9.6210   1.2370 -2.317000 1.949000 
1 1 1  -41   17   23 o   16.970   0.5054   17.570   0.6677   16.370   0.7589 1.201000 1.011000 
1 1 1  -41   17   24 o   11.750   0.7590   12.650   0.9624   10.850   1.1740 1.795000 1.518000 
1 1 1  -41   17   25 o   5.8230   1.5690   5.0670   2.1820   6.5780   2.2560 -1.511000 3.139000 
1 1 1  -41   17   26 o   12.850   0.8144   13.240   1.1320   12.470   1.1710 0.7722000 1.629000 
1 1 1  -41   17   27 o   4.1030   1.1910   3.4510   1.5660   4.7550   1.7940 -1.304000 2.382000 
1 1 1  -41   17   28 o   3.9800   1.1950   3.8600   1.6590   4.1010   1.7210 -0.2408000 2.390000 
1 1 1  -41   17   29 o   6.5520   1.1620   4.8380   1.7930   8.2670   1.4780 -3.428000 2.324000 
1 1 1  -41   17   30 o   2.5060   0.8861   2.8720   1.3970   2.1400   1.0910 0.7315000 1.772000 
1 1 1  -41   19    1 o   3.7240   1.0870   3.1610   1.4200   4.2880   1.6470 -1.127000 2.175000 
1 1 1  -41   19    2 o   10.740   0.7925   8.3800   1.3380   13.100   0.8503 -4.716000 1.585000 
1 1 1  -41   19    3 o   18.220   0.4030   18.960   0.5464   17.470   0.5926 1.494000 0.8061000 
1 1 1  -41   19    4 o   22.490   0.3481   22.520   0.4881   22.470   0.4965 0.4147000E-01 0.6963000 
1 1 1  -41   19    5 o   12.470   0.5865   12.030   0.8111   12.910   0.8472 -0.8804000 1.173000 
1 1 1  -41   19    6 o   3.0910   1.0050   2.7940   1.3160   3.3870   1.5180 -0.5922000 2.009000 
1 1 1  -41   19    7 o   15.430   0.4928   15.830   0.6384   15.030   0.7510 0.8012000 0.9857000 
1 1 1  -41   19    8 o   19.540   0.4061   19.860   0.5405   19.220   0.6064 0.6357000 0.8123000 
1 1 1  -41   19    9 o   24.840   0.4266   25.700   0.4677   23.970   0.7136 1.730000 0.8532000 
1 1 1  -41   19   10 o   10.100   0.8912   9.6100   1.0330   10.590   1.4520 -0.9756000 1.782000 
1 1 1  -41   19   11 o   12.360   0.8213   14.070   0.7037   10.650   1.4840 3.423000 1.643000 
1 1 1  -41   19   12 o   5.4300   1.3300   4.7680   1.6450   6.0930   2.0910 -1.325000 2.661000 
1 1 1  -41   19   13 o   5.0650   1.3290   4.0440   1.5990   6.0870   2.1230 -2.043000 2.658000 
1 1 1  -41   19   14 o   4.0540   1.2420   3.1990   1.4370   4.9100   2.0250 -1.711000 2.483000 
1 1 1  -41   19   15 o   3.4730   1.0830   3.6210   1.5470   3.3250   1.5160 0.2955000 2.166000 
1 1 1  -41   19   16 o   6.4690   1.1410   7.3130   1.4330   5.6260   1.7760 1.687000 2.282000 
1 1 1  -41   19   17 o   21.210   0.4607   21.260   0.6364   21.170   0.6662 0.9784000E-01 0.9214000 
1 1 1  -41   19   18 o   3.5350   1.1340   3.5390   1.5890   3.5310   1.6180 0.7808000E-02 2.267000 
1 1 1  -41   19   19 o   5.5980   1.2860   6.1510   1.8270   5.0450   1.8120 1.106000 2.573000 
1 1 1  -41   19   20 o   21.830   0.4467   22.250   0.6367   21.410   0.6266 0.8433000 0.8933000 
1 1 1  -41   19   21 o   12.900   0.6505   12.200   0.9248   13.600   0.9152 -1.400000 1.301000 
1 1 1  -41   19   22 o   6.8270   1.3670   7.3300   1.8470   6.3250   2.0170 1.005000 2.735000 
1 1 1  -41   19   23 o   4.3200   1.3030   4.2870   1.8310   4.3520   1.8550 -0.6567000E-01 2.606000 
1 1 1  -41   19   24 o   6.0830   1.4120   5.4200   2.0020   6.7470   1.9910 -1.328000 2.823000 
1 1 1  -41   19   25 o   4.2150   1.2370   3.9140   1.6980   4.5150   1.8000 -0.6010000 2.474000 
1 1 1  -41   19   26 o   4.6030   1.2540   3.9600   1.6850   5.2470   1.8580 -1.287000 2.508000 
1 1 1  -41   19   27 o   2.9810   0.9976   3.4440   1.5590   2.5180   1.2450 0.9259000 1.995000 
1 1 1  -41   19   28 o   2.8180   0.9750   3.0340   1.4590   2.6010   1.2940 0.4333000 1.950000 
1 1 1  -41   21    1 o   5.4880   1.1700   6.4220   1.5610   4.5540   1.7430 1.867000 2.339000 
1 1 1  -41   21    2 o   15.590   0.5267   15.060   0.7100   16.110   0.7781 -1.058000 1.053000 
1 1 1  -41   21    3 o   6.3430   1.1430   5.8730   1.6480   6.8120   1.5830 -0.9395000 2.285000 
1 1 1  -41   21    4 o   16.620   0.4603   16.710   0.6404   16.540   0.6612 0.1626000 0.9205000 
1 1 1  -41   21    5 o   11.080   0.7080   11.350   0.9146   10.810   1.0810 0.5394000 1.416000 
1 1 1  -41   21    6 o   10.330   0.7821   11.750   0.8851   8.9100   1.2900 2.836000 1.564000 
1 1 1  -41   21    7 o   5.9670   1.1720   5.1350   1.6760   6.7990   1.6400 -1.664000 2.345000 
1 1 1  -41   21    8 o   12.160   0.6375   12.780   0.8136   11.530   0.9817 1.242000 1.275000 
1 1 1  -41   21    9 o   20.960   0.4011   21.310   0.5312   20.620   0.6010 0.6838000 0.8022000 
1 1 1  -41   21   10 o   8.0870   1.0030   8.7640   1.2000   7.4100   1.6060 1.354000 2.005000 
1 1 1  -41   21   11 o   6.9360   1.1060   7.5960   1.3850   6.2760   1.7250 1.320000 2.212000 
1 1 1  -41   21   12 o   4.3490   1.1940   3.9750   1.6240   4.7240   1.7510 -0.7493000 2.388000 
1 1 1  -41   21   13 o   6.9110   1.1560   6.9500   1.5540   6.8720   1.7120 0.7794000E-01 2.312000 
1 1 1  -41   21   14 o   9.1830   1.1930   10.760   1.0130   7.6040   2.1590 3.157000 2.385000 
1 1 1  -41   21   15 o   7.4580   1.5060   8.2370   1.5890   6.6800   2.5600 1.556000 3.013000 
1 1 1  -41   21   16 o   7.9710   1.4810   9.0630   1.4690   6.8780   2.5710 2.185000 2.961000 
1 1 1  -41   21   17 o   3.5660   1.1620   3.6140   1.5870   3.5180   1.6980 0.9575000E-01 2.324000 
1 1 1  -41   21   18 o   6.8310   1.4620   6.4520   1.8990   7.2100   2.2240 -0.7576000 2.924000 
1 1 1  -41   21   19 o   13.010   0.9948   12.770   1.3670   13.260   1.4460 -0.4913000 1.990000 
1 1 1  -41   21   20 o   5.0330   1.3440   3.9020   1.7390   6.1650   2.0510 -2.263000 2.689000 
1 1 1  -41   21   21 o   9.3480   0.9832   10.520   1.1910   8.1740   1.5650 2.348000 1.966000 
1 1 1  -41   21   22 o   18.170   0.7760   16.030   1.3240   20.310   0.8100 -4.277000 1.552000 
1 1 1  -41   21   23 o   3.6050   1.1840   3.5240   1.6550   3.6860   1.6950 -0.1620000 2.369000 
1 1 1  -41   21   24 o   3.1410   1.0400   3.3990   1.5480   2.8820   1.3890 0.5176000 2.080000 
1 1 1  -41   21   25 o   4.7200   1.1600   3.0670   1.4500   6.3740   1.8110 -3.307000 2.320000 
1 1 1  -41   21   26 o   6.6920   1.3190   5.8080   1.9490   7.5750   1.7770 -1.766000 2.637000 
1 1 1  -41   23    1 o   5.9460   1.3850   5.8400   1.9270   6.0520   1.9900 -0.2119000 2.770000 
1 1 1  -41   23    2 o   13.280   0.7944   13.210   1.0340   13.350   1.2060 -0.1387000 1.589000 
1 1 1  -41   23    3 o   6.1660   1.2750   5.9080   1.7200   6.4240   1.8830 -0.5157000 2.550000 
1 1 1  -41   23    4 f   19.190   0.4377   18.720   0.6192   19.660   0.6188 -0.9418000 0.8754000 
1 1 1  -41   23    5 o   11.650   0.7170   12.280   0.8944   11.010   1.1210 1.264000 1.434000 
1 1 1  -41   23    6 o   5.5730   1.1590   3.9830   1.6420   7.1640   1.6360 -3.181000 2.318000 
1 1 1  -41   23    7 o   8.2100   1.0070   9.2690   1.1600   7.1500   1.6460 2.119000 2.014000 
1 1 1  -41   23    8 o   12.270   0.7519   12.850   0.8452   11.690   1.2440 1.156000 1.504000 
1 1 1  -41   23    9 o   7.9430   1.2530   9.1220   1.5200   6.7630   1.9930 2.359000 2.506000 
1 1 1  -41   23   10 o   10.910   0.9328   9.4370   1.4530   12.390   1.1700 -2.953000 1.866000 
1 1 1  -41   23   11 o   7.5540   1.2620   8.8740   1.5480   6.2340   1.9940 2.640000 2.524000 
1 1 1  -41   23   12 o   13.540   0.7405   13.640   1.0180   13.440   1.0760 0.1989000 1.481000 
1 1 1  -41   23   13 o   14.270   0.8594   12.910   1.4400   15.630   0.9393 -2.724000 1.719000 
1 1 1  -41   23   14 o   3.0510   1.0420   2.5410   1.2710   3.5610   1.6530 -1.020000 2.085000 
1 1 1  -41   23   15 o   3.6160   1.1790   3.2880   1.5560   3.9450   1.7730 -0.6576000 2.359000 
1 1 1  -41   23   16 o   8.7080   1.2060   8.8810   1.6270   8.5360   1.7800 0.3452000 2.412000 
1 1 1  -41   23   17 o   7.0830   1.2130   7.2300   1.6520   6.9350   1.7780 0.2955000 2.427000 
1 1 1  -41   23   18 o   8.4070   1.2710   9.5200   1.3110   7.2940   2.1780 2.225000 2.543000 
1 1 1  -41   23   19 o   8.9310   1.2410   8.9170   1.4380   8.9460   2.0230 -0.2913000E-01 2.482000 
1 1 1  -41   23   20 o   8.0490   1.2800   11.450   1.3160   4.6490   2.1960 6.799000 2.560000 
1 1 1  -41   23   21 f   7.8720   1.3530   11.220   1.6310   4.5220   2.1580 6.699000 2.705000 
1 1 1  -41   23   22 o   7.3250   1.4480   6.8440   1.9660   7.8050   2.1250 -0.9612000 2.895000 
1 1 1  -41   23   23 o   2.7910   0.9644   2.9080   1.4040   2.6740   1.3220 0.2339000 1.929000 
1 1 1  -41   23   24 o   2.8540   0.9796   2.4130   1.2080   3.2960   1.5430 -0.8827000 1.959000 
1 1 1  -41   25    1 o   4.3160   1.2840   4.4560   1.8400   4.1770   1.7930 0.2796000 2.569000 
1 1 1  -41   25    2 o   3.7110   1.2070   3.4670   1.6090   3.9550   1.8000 -0.4882000 2.415000 
1 1 1  -41   25    3 o   11.560   0.8598   10.950   1.2800   12.170   1.1480 -1.221000 1.720000 
1 1 1  -41   25    4 o   11.160   0.8700   10.630   1.2790   11.690   1.1800 -1.054000 1.740000 
1 1 1  -41   25    5 o   6.3930   1.3820   6.5310   1.9050   6.2550   2.0040 0.2754000 2.765000 
1 1 1  -41   25    6 o   5.6010   1.3780   5.8970   1.9320   5.3060   1.9660 0.5912000 2.756000 
1 1 1  -41   25    7 o   9.1220   1.1140   10.650   1.2590   7.5950   1.8370 3.053000 2.227000 
1 1 1  -41   25    8 o   7.1310   1.3030   6.5750   1.8910   7.6870   1.7940 -1.112000 2.606000 
1 1 1  -41   25    9 o   5.6360   1.2770   5.0070   1.7890   6.2660   1.8240 -1.259000 2.555000 
1 1 1  -41   25   10 o   5.0940   1.2900   4.9390   1.7900   5.2480   1.8590 -0.3093000 2.581000 
1 1 1  -41   25   11 o   5.1300   1.2120   6.3540   1.7350   3.9050   1.6920 2.449000 2.423000 
1 1 1  -41   25   12 o   5.1980   1.2450   4.1130   1.7020   6.2830   1.8190 -2.170000 2.491000 
1 1 1  -41   25   13 o   4.7390   1.2790   4.4830   1.7670   4.9950   1.8500 -0.5117000 2.558000 
1 1 1  -41   25   14 o   8.4330   1.0540   9.2530   1.3230   7.6140   1.6420 1.640000 2.109000 
1 1 1  -41   25   15 o   5.7890   1.2650   4.9430   1.8230   6.6350   1.7540 -1.692000 2.530000 
1 1 1  -41   25   16 o   11.820   0.7623   12.850   0.9698   10.800   1.1760 2.049000 1.525000 
1 1 1  -41   25   17 o   3.0340   1.0400   3.2300   1.5370   2.8380   1.4030 0.3920000 2.080000 
1 1 1  -41   25   18 o   4.2450   1.2470   5.2180   1.9430   3.2710   1.5650 1.947000 2.495000 
1 1 1  -41   25   19 o   2.7490   0.9573   2.4270   1.2190   3.0700   1.4770 -0.6430000 1.915000 
1 1 1  -41   25   20 o   3.4820   1.1340   3.5030   1.6080   3.4610   1.6000 0.4204000E-01 2.268000 
1 1 1  -41   25   21 o   2.8310   0.9755   2.8980   1.4050   2.7630   1.3540 0.1349000 1.951000 
1 1 1  -41   27    1 o   14.240   0.6436   14.530   0.8534   13.950   0.9635 0.5827000 1.287000 
1 1 1  -41   27    2 o   11.140   0.8780   9.8540   1.2380   12.430   1.2450 -2.580000 1.756000 
1 1 1  -41   27    3 o   12.630   0.7182   12.920   0.9607   12.330   1.0680 0.5834000 1.436000 
1 1 1  -41   27    4 o   4.0100   1.2050   4.6320   1.7910   3.3880   1.6140 1.244000 2.411000 
1 1 1  -41   27    5 o   6.5180   1.2850   7.0110   1.7290   6.0250   1.9020 0.9854000 2.571000 
1 1 1  -41   27    6 o   9.5470   0.9588   9.4540   1.3300   9.6410   1.3820 -0.1869000 1.918000 
1 1 1  -41   27    7 o   10.540   0.8712   10.920   1.1400   10.150   1.3180 0.7725000 1.742000 
1 1 1  -41   27    8 o   3.8550   1.1680   4.4220   1.7650   3.2880   1.5300 1.134000 2.336000 
1 1 1  -41   27    9 o   3.6840   1.1280   2.8070   1.3580   4.5620   1.8020 -1.755000 2.257000 
1 1 1  -41   27   10 o   4.1190   1.2230   4.1160   1.7240   4.1220   1.7340 -0.6399000E-02 2.445000 
1 1 1  -41   27   11 o   7.9780   1.1130   8.8080   1.4040   7.1490   1.7260 1.658000 2.225000 
1 1 1  -41   27   12 o   4.5600   1.3320   4.2450   1.8240   4.8750   1.9420 -0.6306000 2.665000 
1 1 1  -41   27   13 o   4.1950   1.3250   4.5750   2.0130   3.8160   1.7250 0.7592000 2.651000 
1 1 1  -41   27   14 o   3.2340   1.1040   2.7260   1.3670   3.7410   1.7340 -1.016000 2.208000 
1 1 1  -41   27   15 o   3.6730   1.1960   4.1050   1.8410   3.2400   1.5260 0.8647000 2.391000 
1 1 1  -41   27   16 o   2.8580   0.9823   3.3270   1.5560   2.3880   1.2000 0.9384000 1.965000 
1 1 1  -41   27   17 o   4.0570   1.1930   4.1830   1.7070   3.9300   1.6680 0.2529000 2.386000 
1 1 1  -41   27   18 o   2.3640   0.8509   2.1850   1.1210   2.5430   1.2810 -0.3580000 1.702000 
1 1 1  -41   29    1 o   4.1290   1.2620   4.0510   1.7620   4.2070   1.8080 -0.1556000 2.524000 
1 1 1  -41   29    2 o   2.9610   1.0150   3.2550   1.5390   2.6670   1.3250 0.5883000 2.031000 
1 1 1  -41   29    3 o   3.0500   1.0370   2.4570   1.2320   3.6420   1.6670 -1.185000 2.073000 
1 1 1  -41   29    4 o   3.7220   1.2150   3.7840   1.6920   3.6600   1.7430 0.1238000 2.429000 
1 1 1  -41   29    5 o   3.9570   1.2190   4.4470   1.8320   3.4660   1.6080 0.9805000 2.438000 
1 1 1  -41   29    6 o   2.6920   0.9393   2.6360   1.3050   2.7480   1.3510 -0.1118000 1.879000 
1 1 1  -41   29    7 o   3.4670   1.1300   3.2510   1.5340   3.6830   1.6610 -0.4319000 2.261000 
1 1 1  -41   29    8 o   3.3360   1.0990   3.5070   1.6070   3.1650   1.5000 0.3422000 2.199000 
1 1 1  -41   29    9 o   3.0220   1.0140   2.7470   1.3480   3.2980   1.5140 -0.5508000 2.027000 
1 1 1  -41   29   10 o   2.4330   0.8539   2.6360   1.2880   2.2310   1.1220 0.4057000 1.708000 
1 1 1  -41   29   11 o   3.0910   1.0220   3.0670   1.4360   3.1150   1.4550 -0.4748000E-01 2.044000 
1 1 1  -41   29   12 o   2.3560   0.8300   2.5160   1.2390   2.1950   1.1040 0.3218000 1.660000 
1 1 1  -40    0    1 o   70.210   0.7398   70.210   0.7398   70.210   0.7398 0.000000 0.000000 
1 1 1  -40    0    2 o   33.220   0.5314   33.220   0.5314   33.220   0.5314 0.000000 0.000000 
1 1 1  -40    0    3 o   9.1880   0.7946   9.1880   0.7946   9.1880   0.7946 0.000000 0.000000 
1 1 1  -40    0    4 o   11.480   0.7234   11.480   0.7234   11.480   0.7234 0.000000 0.000000 
1 1 1  -40    0    5 o   19.690   0.6051   19.690   0.6051   19.690   0.6051 0.000000 0.000000 
1 1 1  -40    0    6 o  103.100   0.9224  103.100   0.9224  103.100   0.9224 -0.000000 0.000000 
1 1 1  -40    0    7 o   40.480   0.4047   40.480   0.4047   40.480   0.4047 0.000000 0.000000 
1 1 1  -40    0    8 o   40.670   0.4089   40.670   0.4089   40.670   0.4089 0.000000 0.000000 
1 1 1  -40    0    9 o   35.030   0.4509   35.030   0.4509   35.030   0.4509 0.000000 0.000000 
1 1 1  -40    0   10 o   50.980   0.4853   50.980   0.4853   50.980   0.4853 -0.000000 0.000000 
1 1 1  -40    0   11 o   28.240   0.3720   28.240   0.3720   28.240   0.3720 0.000000 0.000000 
1 1 1  -40    0   12 o   5.7370   1.4450   5.7370   1.4450   5.7370   1.4450 -0.000000 0.000000 
1 1 1  -40    0   13 o   39.540   0.5820   39.540   0.5820   39.540   0.5820 0.000000 0.000000 
1 1 1  -40    0   14 o   48.910   0.4773   48.910   0.4773   48.910   0.4773 -0.000000 0.000000 
1 1 1  -40    0   15 o   5.5130   1.6290   5.5130   1.6290   5.5130   1.6290 0.000000 0.000000 
1 1 1  -40    0   16 o   10.610   0.8973   10.610   0.8973   10.610   0.8973 -0.000000 0.000000 
1 1 1  -40    0   17 o   32.580   0.5708   32.580   0.5708   32.580   0.5708 0.000000 0.000000 
1 1 1  -40    0   18 o   36.810   0.5952   36.810   0.5952   36.810   0.5952 0.000000 0.000000 
1 1 1  -40    0   19 o   40.820   0.6208   40.820   0.6208   40.820   0.6208 0.000000 0.000000 
1 1 1  -40    0   20 f   36.600   0.5904   36.600   0.5904   36.600   0.5904 0.000000 0.000000 
1 1 1  -40    0   21 o   22.220   0.5163   22.220   0.5163   22.220   0.5163 -0.000000 0.000000 
1 1 1  -40    0   22 o   14.200   0.8040   14.200   0.8040   14.200   0.8040 0.000000 0.000000 
1 1 1  -40    0   23 o   16.160   0.6046   16.160   0.6046   16.160   0.6046 0.000000 0.000000 
1 1 1  -40    0   24 o   9.6750   0.8463   9.6750   0.8463   9.6750   0.8463 0.000000 0.000000 
1 1 1  -40    0   25 f   14.210   0.6237   14.210   0.6237   14.210   0.6237 0.000000 0.000000 
1 1 1  -40    0   26 o   16.540   0.5572   16.540   0.5572   16.540   0.5572 -0.000000 0.000000 
1 1 1  -40    0   27 o   22.710   0.7115   22.710   0.7115   22.710   0.7115 -0.000000 0.000000 
1 1 1  -40    0   28 o   14.490   0.6988   14.490   0.6988   14.490   0.6988 -0.000000 0.000000 
1 1 1  -40    0   29 o   12.900   0.7939   12.900   0.7939   12.900   0.7939 -0.000000 0.000000 
1 1 1  -40    0   30 f   1.7010   1.2250   1.7010   1.2250   1.7010   1.2250 0.000000 0.000000 
1 1 1  -40    0   31 o   6.0270   1.9900   6.0270   1.9900   6.0270   1.9900 -0.000000 0.000000 
1 1 1  -40    0   32 o   2.0280   1.4220   2.0280   1.4220   2.0280   1.4220 -0.000000 0.000000 
1 1 1  -40    0   33 o   2.9530   1.8560   2.9530   1.8560   2.9530   1.8560 0.000000 0.000000 
1 1 1  -40    0   34 o   2.0600   1.4500   2.0600   1.4500   2.0600   1.4500 0.000000 0.000000 
1 1 1  -40    0   35 o   7.2220   2.4070   7.2220   2.4070   7.2220   2.4070 0.000000 0.000000 
1 1 1  -40    2    1 o   60.640   0.4612   60.090   0.6476   61.190   0.6567 -1.103000 0.9223000 
1 1 1  -40    2    2 o   74.390   0.5525   74.370   0.7814   74.420   0.7814 -0.4772000E-01 1.105000 
1 1 1  -40    2    3 o   23.890   0.3364   22.990   0.4396   24.790   0.5093 -1.800000 0.6728000 
1 1 1  -40    2    4 o   51.830   0.3754   52.370   0.4931   51.300   0.5661 1.072000 0.7507000 
1 1 1  -40    2    5 o   38.710   0.2790   38.180   0.3917   39.250   0.3975 -1.074000 0.5581000 
1 1 1  -40    2    6 o   73.370   0.4697   73.390   0.6652   73.340   0.6632 0.5329000E-01 0.9393000 
1 1 1  -40    2    7 o   69.510   0.4466   69.240   0.6297   69.780   0.6336 -0.5461000 0.8933000 
1 1 1  -40    2    8 o   25.060   0.3413   24.130   0.4398   25.980   0.5220 -1.849000 0.6826000 
1 1 1  -40    2    9 o   24.460   0.3628   24.770   0.4497   24.150   0.5695 0.6240000 0.7256000 
1 1 1  -40    2   10 o   49.400   0.4342   50.960   0.6874   47.850   0.5306 3.114000 0.8684000 
1 1 1  -40    2   11 o   33.830   0.4499   33.290   0.4337   34.380   0.7884 -1.087000 0.8998000 
1 1 1  -40    2   12 o   63.940   0.6845   63.960   0.6808   63.930   1.1880 0.2592000E-01 1.369000 
1 1 1  -40    2   13 o   43.060   0.3841   43.360   0.4421   42.760   0.6283 0.6014000 0.7683000 
1 1 1  -40    2   14 o   20.470   0.4214   20.030   0.5448   20.920   0.6430 -0.8898000 0.8428000 
1 1 1  -40    2   15 o   33.810   0.3541   33.520   0.4036   34.090   0.5820 -0.5730000 0.7082000 
1 1 1  -40    2   16 f   38.150   0.3677   38.110   0.4215   38.180   0.6026 -0.6855000E-01 0.7354000 
1 1 1  -40    2   17 o   35.350   0.2910   35.160   0.4111   35.540   0.4119 -0.3736000 0.5819000 
1 1 1  -40    2   18 o   20.660   0.3160   20.730   0.4447   20.590   0.4491 0.1412000 0.6320000 
1 1 1  -40    2   19 o   17.780   0.3456   17.930   0.4872   17.620   0.4902 0.3096000 0.6912000 
1 1 1  -40    2   20 o   17.110   0.3466   17.390   0.4947   16.830   0.4856 0.5638000 0.6932000 
1 1 1  -40    2   21 o   5.6720   1.1370   4.9610   1.7950   6.3840   1.3950 -1.423000 2.273000 
1 1 1  -40    2   22 o   33.980   0.3779   34.470   0.5961   33.490   0.4646 0.9828000 0.7558000 
1 1 1  -40    2   23 o   11.620   0.7998   10.130   1.4150   13.120   0.7471 -2.989000 1.600000 
1 1 1  -40    2   24 o   13.340   0.5604   14.420   0.8784   12.270   0.6963 2.149000 1.121000 
1 1 1  -40    2   25 o   19.720   0.3797   19.730   0.5836   19.720   0.4858 0.8846000E-02 0.7593000 
1 1 1  -40    2   26 o   21.950   0.3894   21.780   0.5417   22.110   0.5596 -0.3341000 0.7789000 
1 1 1  -40    2   27 o   16.580   0.5053   16.340   0.7047   16.810   0.7245 -0.4735000 1.011000 
1 1 1  -40    2   28 o   9.2040   0.9167   8.8730   1.3920   9.5350   1.1940 -0.6615000 1.833000 
1 1 1  -40    2   29 o   5.7220   1.1620   5.7340   1.6300   5.7100   1.6570 0.2422000E-01 2.324000 
1 1 1  -40    2   30 o   8.0460   0.9535   8.2370   1.3040   7.8550   1.3910 0.3816000 1.907000 
1 1 1  -40    2   31 o   12.210   0.6641   12.150   0.9379   12.270   0.9406 -0.1235000 1.328000 
1 1 1  -40    2   32 o   9.8510   0.8474   8.5660   1.3350   11.140   1.0440 -2.569000 1.695000 
1 1 1  -40    2   33 o   6.7720   1.1840   7.2190   1.5740   6.3240   1.7680 0.8957000 2.367000 
1 1 1  -40    2   34 o   11.140   0.8698   10.630   1.2940   11.650   1.1620 -1.021000 1.740000 
1 1 1  -40    2   35 o   4.3020   1.3040   4.4810   1.8500   4.1230   1.8390 0.3584000 2.609000 
1 1 1  -40    4    1 o   31.550   0.5671  ?   ?    31.550   0.5671      ?      ? 
1 1 1  -40    4    2 o   40.150   0.5753  ?   ?    40.150   0.5753      ?      ? 
1 1 1  -40    4    3 o   43.430   0.6453   43.930   0.9066   42.930   0.9186 1.000000 1.291000 
1 1 1  -40    4    4 o   62.460   0.8354   61.280   1.1580   63.650   1.2050 -2.369000 1.671000 
1 1 1  -40    4    5 o   72.690   0.9517   71.930   1.3300   73.450   1.3610 -1.515000 1.903000 
1 1 1  -40    4    6 o   22.560   0.6621   22.290   0.9407   22.840   0.9319 -0.5419000 1.324000 
1 1 1  -40    4    7 o   48.850   0.6873   48.240   0.9643   49.460   0.9796 -1.219000 1.375000 
1 1 1  -40    4    8 o   7.9430   1.1300   7.2900   1.0610   8.5960   1.9950 -1.306000 2.260000 
1 1 1  -40    4    9 o   57.660   0.5013   57.310   0.6281   58.000   0.7814 -0.6856000 1.003000 
1 1 1  -40    4   10 o   24.480   0.4589   24.480   0.4589  ?   ?       ?      ? 
1 1 1  -40    4   11 f   32.710   0.3550   32.390   0.3944   33.020   0.5903 -0.6278000 0.7100000 
1 1 1  -40    4   12 f   58.460   0.3891   58.620   0.5527   58.310   0.5479 0.3030000 0.7783000 
1 1 1  -40    4   13 o   52.310   0.3568   52.180   0.5040   52.430   0.5053 -0.2511000 0.7137000 
1 1 1  -40    4   14 o   45.440   0.3249   45.550   0.4612   45.340   0.4579 0.2122000 0.6499000 
1 1 1  -40    4   15 o   17.830   0.4288   18.520   0.6016   17.140   0.6112 1.378000 0.8576000 
1 1 1  -40    4   16 o   44.880   0.3250   44.490   0.4584   45.280   0.4607 -0.7889000 0.6499000 
1 1 1  -40    4   17 o   15.640   0.3860   15.830   0.5378   15.440   0.5538 0.3877000 0.7720000 
1 1 1  -40    4   18 o   21.560   0.3102   21.630   0.4403   21.490   0.4372 0.1323000 0.6205000 
1 1 1  -40    4   19 o   21.120   0.3148   21.090   0.4417   21.160   0.4486 -0.6757000E-01 0.6295000 
1 1 1  -40    4   20 o   7.6040   0.8936   7.4120   1.3150   7.7960   1.2110 -0.3839000 1.787000 
1 1 1  -40    4   21 o   15.770   0.4499   15.640   0.6555   15.900   0.6164 -0.2609000 0.8997000 
1 1 1  -40    4   22 o   17.530   0.3500   17.490   0.4936   17.580   0.4964 -0.9256000E-01 0.7001000 
1 1 1  -40    4   23 o   16.100   0.4162   15.850   0.5767   16.350   0.6002 -0.5012000 0.8324000 
1 1 1  -40    4   24 o   16.170   0.3944   16.530   0.5523   15.810   0.5631 0.7280000 0.7888000 
1 1 1  -40    4   25 o   14.870   0.5672   14.970   0.8676   14.770   0.7307 0.1985000 1.134000 
1 1 1  -40    4   26 o   24.560   0.4330   23.830   0.6831   25.290   0.5322 -1.462000 0.8660000 
1 1 1  -40    4   27 o   14.340   0.6025   14.720   0.9701   13.970   0.7148 0.7506000 1.205000 
1 1 1  -40    4   28 o   15.440   1.0430   15.310   1.9390   15.560   0.7697 -0.2488000 2.086000 
1 1 1  -40    4   29 o   14.950   0.5076   15.030   0.7147   14.870   0.7209 0.1567000 1.015000 
1 1 1  -40    4   30 o   7.2410   1.0610   6.6900   1.5700   7.7930   1.4270 -1.104000 2.122000 
1 1 1  -40    4   31 o   2.8870   0.9722   3.0280   1.4190   2.7460   1.3290 0.2817000 1.944000 
1 1 1  -40    4   32 o   3.1380   1.0350   2.7560   1.3360   3.5200   1.5810 -0.7641000 2.069000 
1 1 1  -40    4   33 o   8.4860   0.9997   8.9130   1.3440   8.0600   1.4800 0.8524000 1.999000 
1 1 1  -40    4   34 o   3.2770   1.0910   3.4600   1.6020   3.0940   1.4820 0.3657000 2.182000 
1 1 1  -40    4   35 o   3.5240   1.1430   3.8110   1.6960   3.2370   1.5320 0.5739000 2.285000 
1 1 1  -40    6    1 o   58.310   0.4893   58.740   0.5502   57.880   0.8092 0.8551000 0.9786000 
1 1 1  -40    6    2 o   17.260   1.0360  ?   ?    17.260   1.0360      ?      ? 
1 1 1  -40    6    3 o   31.770   0.4650   31.610   0.6340   31.930   0.6803 -0.3269000 0.9299000 
1 1 1  -40    6    4 o   29.990   0.4626   29.580   0.6507   30.400   0.6578 -0.8264000 0.9253000 
1 1 1  -40    6    5 o   29.900   0.4591   29.510   0.6436   30.300   0.6548 -0.7853000 0.9182000 
1 1 1  -40    6    6 o   52.130   0.5203   51.560   0.7282   52.700   0.7435 -1.143000 1.041000 
1 1 1  -40    6    7 o   20.580   0.5420   20.960   0.7472   20.200   0.7853 0.7606000 1.084000 
1 1 1  -40    6    8 o   51.940   0.5179   51.100   0.7245   52.790   0.7401 -1.684000 1.036000 
1 1 1  -40    6    9 o   23.480   0.3181   24.430   0.3704   22.520   0.5173 1.912000 0.6362000 
1 1 1  -40    6   10 o   16.300   0.3872   16.010   0.5265   16.590   0.5679 -0.5793000 0.7745000 
1 1 1  -40    6   11 o   29.610   0.2804   29.460   0.3960   29.760   0.3971 -0.3034000 0.5608000 
1 1 1  -40    6   12 o   12.510   0.4626   12.110   0.6612   12.910   0.6471 -0.7963000 0.9252000 
1 1 1  -40    6   13 o   16.960   0.3617   17.090   0.5026   16.820   0.5202 0.2668000 0.7233000 
1 1 1  -40    6   14 o   26.450   0.2920   26.680   0.4138   26.220   0.4120 0.4536000 0.5840000 
1 1 1  -40    6   15 f   22.570   0.3855   22.670   0.5588   22.470   0.5314 0.1945000 0.7711000 
1 1 1  -40    6   16 o   27.900   0.2907   27.680   0.4175   28.120   0.4047 -0.4436000 0.5815000 
1 1 1  -40    6   17 o   22.600   0.3085   22.660   0.4401   22.530   0.4324 0.1304000 0.6170000 
1 1 1  -40    6   18 o   18.800   0.3707   18.980   0.5581   18.620   0.4881 0.3632000 0.7414000 
1 1 1  -40    6   19 o   22.900   0.3546   23.310   0.5059   22.490   0.4969 0.8144000 0.7091000 
1 1 1  -40    6   20 o   8.9130   0.7298   9.6680   0.8316   8.1580   1.2000 1.510000 1.460000 
1 1 1  -40    6   21 o   16.320   0.3744   15.530   0.5413   17.110   0.5174 -1.580000 0.7488000 
1 1 1  -40    6   22 o   6.4290   0.9135   5.2080   1.4460   7.6490   1.1170 -2.440000 1.827000 
1 1 1  -40    6   23 o   3.7190   1.0540   4.0350   1.5050   3.4040   1.4750 0.6316000 2.108000 
1 1 1  -40    6   24 o   21.790   0.3903   21.450   0.5630   22.140   0.5407 -0.6847000 0.7806000 
1 1 1  -40    6   25 o   5.9520   1.1260   5.4320   1.5790   6.4720   1.6060 -1.041000 2.252000 
1 1 1  -40    6   26 o   3.9660   1.0250   2.7440   1.2730   5.1880   1.6070 -2.444000 2.050000 
1 1 1  -40    6   27 o   13.940   0.4900   13.630   0.6879   14.250   0.6981 -0.6229000 0.9801000 
1 1 1  -40    6   28 o   14.480   0.6795   14.530   1.0810   14.440   0.8235 0.8738000E-01 1.359000 
1 1 1  -40    6   29 o   4.5680   1.2840   4.7530   1.9480   4.3830   1.6740 0.3694000 2.568000 
1 1 1  -40    6   30 o   12.610   0.8500   10.900   1.4960   14.310   0.8078 -3.403000 1.700000 
1 1 1  -40    6   31 o   3.9440   1.2290   4.0090   1.8140   3.8780   1.6590 0.1307000 2.458000 
1 1 1  -40    6   32 o   3.5480   1.1090   4.1100   1.7040   2.9870   1.4200 1.123000 2.218000 
1 1 1  -40    6   33 f   3.0340   1.0310   2.6600   1.3180   3.4070   1.5860 -0.7471000 2.062000 
1 1 1  -40    6   34 o   12.320   0.6740   12.090   0.9732   12.560   0.9326 -0.4628000 1.348000 
1 1 1  -40    6   35 o   2.4710   0.8686   2.6600   1.3000   2.2810   1.1520 0.3789000 1.737000 
1 1 1  -40    8    1 o   31.790   0.3250   31.900   0.3964   31.670   0.5153 0.2366000 0.6501000 
1 1 1  -40    8    2 o   17.520   0.3231   16.330   0.4871   18.710   0.4248 -2.383000 0.6463000 
1 1 1  -40    8    3 o   32.890   0.4922   31.680   0.6669   34.110   0.7241 -2.431000 0.9844000 
1 1 1  -40    8    4 o   46.970   0.5038   46.340   0.7052   47.600   0.7197 -1.264000 1.008000 
1 1 1  -40    8    5 f   42.860   0.4875   43.280   0.6849   42.440   0.6939 0.8417000 0.9750000 
1 1 1  -40    8    6 o   44.530   0.4905   44.320   0.6885   44.740   0.6989 -0.4236000 0.9810000 
1 1 1  -40    8    7 o   9.7040   1.1920   9.8150   1.6480   9.5930   1.7240 0.2225000 2.384000 
1 1 1  -40    8    8 o   9.7010   0.5621   8.6810   0.9325   10.720   0.6279 -2.040000 1.124000 
1 1 1  -40    8    9 o   37.090   0.3149   36.660   0.3977   37.530   0.4883 -0.8700000 0.6298000 
1 1 1  -40    8   10 o   14.290   0.4404   14.100   0.5857   14.470   0.6578 -0.3755000 0.8808000 
1 1 1  -40    8   11 o   19.470   0.3315   20.370   0.4421   18.560   0.4942 1.805000 0.6631000 
1 1 1  -40    8   12 o   31.290   0.2941   31.290   0.4173   31.290   0.4147 -0.1371000E-02 0.5883000 
1 1 1  -40    8   13 o   32.130   0.2928   32.290   0.4148   31.980   0.4133 0.3127000 0.5856000 
1 1 1  -40    8   14 f   25.080   0.3039   24.530   0.4326   25.620   0.4268 -1.092000 0.6077000 
1 1 1  -40    8   15 o   43.050   0.3838   43.340   0.5526   42.750   0.5328 0.5910000 0.7676000 
1 1 1  -40    8   16 o   34.530   0.3955   35.480   0.4948   33.590   0.6171 1.881000 0.7910000 
1 1 1  -40    8   17 o   7.2910   0.9675   6.6900   1.4390   7.8920   1.2930 -1.202000 1.935000 
1 1 1  -40    8   18 o   24.290   0.3048   24.330   0.4250   24.240   0.4372 0.8583000E-01 0.6097000 
1 1 1  -40    8   19 o   22.680   0.3130   22.830   0.4370   22.530   0.4482 0.3068000 0.6259000 
1 1 1  -40    8   20 o   32.760   0.2979   32.720   0.4230   32.810   0.4195 -0.8856000E-01 0.5958000 
1 1 1  -40    8   21 o   15.960   0.3945   16.270   0.5398   15.660   0.5754 0.6064000 0.7889000 
1 1 1  -40    8   22 o   14.190   0.4308   14.170   0.6016   14.210   0.6167 -0.3211000E-01 0.8615000 
1 1 1  -40    8   23 o   3.7430   1.1080   4.2370   1.6210   3.2490   1.5120 0.9883000 2.216000 
1 1 1  -40    8   24 o   13.180   0.4897   12.600   0.6822   13.770   0.7028 -1.167000 0.9795000 
1 1 1  -40    8   25 f   14.840   0.4542   14.400   0.6435   15.280   0.6413 -0.8855000 0.9085000 
1 1 1  -40    8   26 o   16.820   0.4264   16.850   0.5858   16.790   0.6197 0.6211000E-01 0.8527000 
1 1 1  -40    8   27 o   15.550   0.4710   14.920   0.6748   16.180   0.6571 -1.263000 0.9419000 
1 1 1  -40    8   28 o   10.840   0.8251   10.410   1.2270   11.260   1.1040 -0.8525000 1.650000 
1 1 1  -40    8   29 o   4.1280   1.1480   3.3300   1.4900   4.9270   1.7480 -1.597000 2.297000 
1 1 1  -40    8   30 o   10.790   0.7371   9.8720   1.0680   11.700   1.0170 -1.828000 1.474000 
1 1 1  -40    8   31 o   9.9100   0.9018   10.550   1.2190   9.2670   1.3290 1.285000 1.804000 
1 1 1  -40    8   32 o   3.6520   1.1990   4.0750   1.8430   3.2290   1.5330 0.8460000 2.397000 
1 1 1  -40    8   33 o   6.1550   1.3850   5.7880   2.1490   6.5220   1.7460 -0.7337000 2.769000 
1 1 1  -40    8   34 o   2.6080   0.9145   2.4910   1.2620   2.7250   1.3240 -0.2344000 1.829000 
1 1 1  -40   10    1 o   14.300   0.4252   14.600   0.5509   14.010   0.6477 0.5900000 0.8503000 
1 1 1  -40   10    2 o   18.550   0.4617   18.390   0.6484   18.700   0.6575 -0.3109000 0.9234000 
1 1 1  -40   10    3 o   27.750   0.3568   27.810   0.5053   27.690   0.5038 0.1249000 0.7135000 
1 1 1  -40   10    4 o   6.5570   0.7887   6.2240   1.0900   6.8900   1.1400 -0.6653000 1.577000 
1 1 1  -40   10    5 o   13.230   0.3852   13.190   0.5073   13.270   0.5798 -0.7738000E-01 0.7704000 
1 1 1  -40   10    6 o   15.850   0.3416   15.830   0.4583   15.880   0.5066 -0.4665000E-01 0.6832000 
1 1 1  -40   10    7 o   39.280   0.3618   39.400   0.5044   39.150   0.5188 0.2497000 0.7236000 
1 1 1  -40   10    8 f   36.220   0.3834   36.420   0.4916   36.030   0.5884 0.3850000 0.7668000 
1 1 1  -40   10    9 o   21.320   0.3455   20.310   0.5184   22.340   0.4567 -2.032000 0.6909000 
1 1 1  -40   10   10 o   12.570   0.5726   12.470   0.6345   12.680   0.9534 -0.2193000 1.145000 
1 1 1  -40   10   11 o   31.230   0.3049   31.280   0.4310   31.170   0.4314 0.1124000 0.6099000 
1 1 1  -40   10   12 o   14.920   0.4384   14.660   0.5982   15.180   0.6410 -0.5187000 0.8767000 
1 1 1  -40   10   13 f   12.020   0.6089   12.360   0.7956   11.670   0.9221 0.6889000 1.218000 
1 1 1  -40   10   14 o   26.290   0.4904   25.970   0.7329   26.610   0.6518 -0.6413000 0.9808000 
1 1 1  -40   10   15 o   47.550   0.4005   47.490   0.5673   47.610   0.5655 -0.1168000 0.8010000 
1 1 1  -40   10   16 o   18.040   0.3720   18.250   0.5111   17.830   0.5406 0.4144000 0.7440000 
1 1 1  -40   10   17 o   16.220   0.3959   15.660   0.5525   16.790   0.5673 -1.124000 0.7919000 
1 1 1  -40   10   18 o   15.200   0.4115   15.160   0.5686   15.240   0.5949 -0.8085000E-01 0.8229000 
1 1 1  -40   10   19 o   14.890   0.4217   15.580   0.5618   14.210   0.6291 1.380000 0.8435000 
1 1 1  -40   10   20 o   21.540   0.3265   21.820   0.4483   21.260   0.4747 0.5567000 0.6529000 
1 1 1  -40   10   21 o   19.560   0.3915   19.590   0.5299   19.520   0.5764 0.7218000E-01 0.7830000 
1 1 1  -40   10   22 o   3.4320   1.0430   2.7290   1.2820   4.1350   1.6470 -1.405000 2.087000 
1 1 1  -40   10   23 o   25.370   0.3526   25.690   0.4741   25.050   0.5219 0.6399000 0.7051000 
1 1 1  -40   10   24 o   21.090   0.3519   20.690   0.4863   21.480   0.5089 -0.7940000 0.7039000 
1 1 1  -40   10   25 o   10.430   0.6464   10.190   0.9017   10.680   0.9264 -0.4924000 1.293000 
1 1 1  -40   10   26 o   14.210   0.5120   14.870   0.6580   13.540   0.7847 1.330000 1.024000 
1 1 1  -40   10   27 o   9.6550   0.7955   10.190   1.0040   9.1160   1.2340 1.078000 1.591000 
1 1 1  -40   10   28 o   20.660   0.4739   20.900   0.6611   20.420   0.6791 0.4745000 0.9478000 
1 1 1  -40   10   29 o   8.3160   0.9802   7.2510   1.5190   9.3810   1.2400 -2.130000 1.960000 
1 1 1  -40   10   30 o   9.6410   0.8999   10.300   1.1320   8.9830   1.3990 1.317000 1.800000 
1 1 1  -40   10   31 f   3.4610   1.1380   3.0860   1.4860   3.8350   1.7250 -0.7490000 2.277000 
1 1 1  -40   10   32 o   10.070   0.8627   10.240   1.1740   9.9110   1.2640 0.3274000 1.725000 
1 1 1  -40   10   33 o   2.4440   0.8576   2.3410   1.1680   2.5470   1.2560 -0.2057000 1.715000 
1 1 1  -40   10   34 o   2.1380   0.7698   2.1040   1.0750   2.1710   1.1020 -0.6682000E-01 1.540000 
1 1 1  -40   12    1 o   21.900   0.3649   21.550   0.5035   22.240   0.5282 -0.6845000 0.7297000 
1 1 1  -40   12    2 o   18.600   0.3853   19.060   0.5305   18.140   0.5589 0.9175000 0.7706000 
1 1 1  -40   12    3 o   8.4280   0.7488   8.7640   1.0000   8.0930   1.1150 0.6708000 1.498000 
1 1 1  -40   12    4 o   27.900   0.3296   28.300   0.4572   27.500   0.4748 0.7956000 0.6592000 
1 1 1  -40   12    5 o   33.860   0.3353   33.980   0.4671   33.740   0.4811 0.2359000 0.6705000 
1 1 1  -40   12    6 o   26.350   0.3394   26.380   0.4680   26.320   0.4918 0.6594000E-01 0.6789000 
1 1 1  -40   12    7 o   29.430   0.3316   29.290   0.4576   29.580   0.4800 -0.2850000 0.6632000 
1 1 1  -40   12    8 o   8.1100   0.9001   6.2400   1.4730   9.9800   1.0350 -3.740000 1.800000 
1 1 1  -40   12    9 o   15.980   0.4585   15.340   0.6289   16.620   0.6674 -1.276000 0.9171000 
1 1 1  -40   12   10 o   13.570   0.5545   13.870   0.7139   13.260   0.8487 0.6078000 1.109000 
1 1 1  -40   12   11 o   39.790   0.3588   39.420   0.4966   40.160   0.5181 -0.7382000 0.7176000 
1 1 1  -40   12   12 o   3.4520   1.0840   3.2620   1.4510   3.6410   1.6120 -0.3785000 2.169000 
1 1 1  -40   12   13 o   17.260   0.5233   16.500   0.7823   18.030   0.6952 -1.528000 1.047000 
1 1 1  -40   12   14 o   17.270   0.4001   17.220   0.5525   17.320   0.5788 -0.1003000 0.8002000 
1 1 1  -40   12   15 o   34.900   0.3089   34.850   0.4357   34.950   0.4380 -0.1081000 0.6178000 
1 1 1  -40   12   16 o   10.040   0.6406   10.680   0.8168   9.4100   0.9871 1.265000 1.281000 
1 1 1  -40   12   17 o   3.6880   1.0650   3.7720   1.5000   3.6040   1.5130 0.1685000 2.130000 
1 1 1  -40   12   18 o   5.5330   1.0740   4.5990   1.5630   6.4670   1.4730 -1.867000 2.148000 
1 1 1  -40   12   19 o   3.2080   1.0230   3.4080   1.4790   3.0070   1.4140 0.4006000 2.046000 
1 1 1  -40   12   20 o   17.880   0.4374   17.600   0.6000   18.170   0.6367 -0.5717000 0.8749000 
1 1 1  -40   12   21 o   10.870   0.6248   11.530   0.7876   10.210   0.9702 1.321000 1.250000 
1 1 1  -40   12   22 o   8.3150   0.8681   8.2590   1.1430   8.3710   1.3070 -0.1117000 1.736000 
1 1 1  -40   12   23 o   7.4710   0.9467   8.1780   1.1510   6.7630   1.5030 1.416000 1.893000 
1 1 1  -40   12   24 o   7.4860   0.9629   7.8220   1.2350   7.1510   1.4780 0.6712000 1.926000 
1 1 1  -40   12   25 o   13.070   0.5566   13.590   0.7264   12.540   0.8435 1.051000 1.113000 
1 1 1  -40   12   26 o   9.3420   0.8037   9.8610   0.9938   8.8220   1.2630 1.039000 1.607000 
1 1 1  -40   12   27 o   10.060   0.9493   8.4900   1.4910   11.620   1.1760 -3.131000 1.899000 
1 1 1  -40   12   28 o   3.9610   1.1720   3.6680   1.5820   4.2540   1.7300 -0.5859000 2.344000 
1 1 1  -40   12   29 o   4.0000   1.2320   3.5820   1.6350   4.4170   1.8430 -0.8356000 2.464000 
1 1 1  -40   12   30 o   5.4310   1.3750   5.3150   1.9360   5.5470   1.9530 -0.2326000 2.750000 
1 1 1  -40   12   31 o   2.8420   0.9676   3.0030   1.4230   2.6810   1.3120 0.3220000 1.935000 
1 1 1  -40   12   32 o   5.4880   1.2690   5.6720   1.7750   5.3030   1.8150 0.3685000 2.539000 
1 1 1  -40   12   33 o   2.5200   0.8808   2.4580   1.2200   2.5830   1.2710 -0.1256000 1.762000 
1 1 1  -40   14    1 o   4.9690   1.2710   4.2060   1.6340   5.7320   1.9460 -1.526000 2.542000 
1 1 1  -40   14    2 o   9.6940   0.7225   10.280   0.8645   9.1080   1.1580 1.172000 1.445000 
1 1 1  -40   14    3 o   17.040   0.4298   16.760   0.5594   17.330   0.6526 -0.5768000 0.8595000 
1 1 1  -40   14    4 o   29.510   0.4368   29.780   0.4303   29.240   0.7604 0.5344000 0.8737000 
1 1 1  -40   14    5 o   9.2110   0.8553   8.9860   1.0320   9.4350   1.3640 -0.4489000 1.711000 
1 1 1  -40   14    6 o   26.310   0.3744   25.720   0.4436   26.900   0.6032 -1.181000 0.7487000 
1 1 1  -40   14    7 o   41.350   0.3255   40.770   0.4508   41.920   0.4697 -1.151000 0.6510000 
1 1 1  -40   14    8 o   12.920   0.5226   12.820   0.7087   13.020   0.7683 -0.2048000 1.045000 
1 1 1  -40   14    9 o   22.170   0.3461   22.060   0.4717   22.290   0.5065 -0.2241000 0.6922000 
1 1 1  -40   14   10 o   11.950   0.6854   11.850   0.9405   12.050   0.9974 -0.2013000 1.371000 
1 1 1  -40   14   11 o   26.430   0.3866   26.230   0.5319   26.630   0.5612 -0.4017000 0.7733000 
1 1 1  -40   14   12 o   25.040   0.3263   25.470   0.4344   24.610   0.4871 0.8572000 0.6527000 
1 1 1  -40   14   13 o   15.180   0.4862   15.000   0.6927   15.350   0.6825 -0.3495000 0.9725000 
1 1 1  -40   14   14 o   20.060   0.3731   20.300   0.5099   19.830   0.5449 0.4701000 0.7462000 
1 1 1  -40   14   15 o   12.210   0.5636   12.830   0.7147   11.590   0.8717 1.248000 1.127000 
1 1 1  -40   14   16 o   5.8150   1.1000   7.3410   1.3810   4.2880   1.7120 3.053000 2.200000 
1 1 1  -40   14   17 o   11.020   0.6971   10.310   0.9770   11.730   0.9945 -1.417000 1.394000 
1 1 1  -40   14   18 o   7.4620   0.9325   7.5560   1.2530   7.3680   1.3810 0.1888000 1.865000 
1 1 1  -40   14   19 o   14.550   0.4884   13.910   0.6923   15.200   0.6892 -1.298000 0.9769000 
1 1 1  -40   14   20 o   5.9570   1.0640   7.3600   1.3030   4.5530   1.6820 2.807000 2.128000 
1 1 1  -40   14   21 o   5.4080   1.1880   5.9090   1.6060   4.9070   1.7500 1.002000 2.375000 
1 1 1  -40   14   22 o   13.700   0.5981   14.140   0.7593   13.250   0.9243 0.8952000 1.196000 
1 1 1  -40   14   23 o   9.5550   0.7794   9.9260   1.0020   9.1830   1.1940 0.7436000 1.559000 
1 1 1  -40   14   24 o   4.7790   1.2000   4.2070   1.6340   5.3510   1.7590 -1.144000 2.401000 
1 1 1  -40   14   25 o   6.3740   1.1760   6.0120   1.6400   6.7350   1.6850 -0.7223000 2.351000 
1 1 1  -40   14   26 o   10.560   0.9127   11.570   1.0930   9.5460   1.4620 2.025000 1.825000 
1 1 1  -40   14   27 o   3.4370   1.1260   3.9780   1.7490   2.8960   1.4170 1.082000 2.251000 
1 1 1  -40   14   28 o   10.430   0.9440   9.8520   1.3590   11.010   1.3100 -1.157000 1.888000 
1 1 1  -40   14   29 o   5.0820   1.2840   4.9240   1.7720   5.2410   1.8600 -0.3169000 2.569000 
1 1 1  -40   14   30 o   9.5850   0.8871   9.8840   1.1950   9.2860   1.3120 0.5984000 1.774000 
1 1 1  -40   14   31 o   3.3390   1.0820   3.2790   1.5090   3.4000   1.5500 -0.1214000 2.163000 
1 1 1  -40   14   32 o   2.7090   0.9232   3.4330   1.5450   1.9850   1.0110 1.447000 1.846000 
1 1 1  -40   16    1 f   13.490   0.5023   13.420   0.6832   13.560   0.7365 -0.1412000 1.005000 
1 1 1  -40   16    2 o   9.4880   0.7235   9.1500   1.0010   9.8270   1.0450 -0.6772000 1.447000 
1 1 1  -40   16    3 o   16.320   0.4538   16.200   0.6880   16.430   0.5921 -0.2216000 0.9077000 
1 1 1  -40   16    4 f   10.350   0.7780   10.500   1.0340   10.210   1.1620 0.2867000 1.556000 
1 1 1  -40   16    5 o   6.5210   1.2380   8.0270   1.3710   5.0150   2.0630 3.012000 2.477000 
1 1 1  -40   16    6 o   15.200   0.7102   16.000   0.7032   14.390   1.2340 1.607000 1.420000 
1 1 1  -40   16    7 o   9.1960   1.0850   8.7470   1.2470   9.6450   1.7760 -0.8982000 2.170000 
1 1 1  -40   16    8 o   17.990   0.4815   18.710   0.5362   17.280   0.8000 1.432000 0.9631000 
1 1 1  -40   16    9 o   12.230   0.6832   12.090   0.7737   12.380   1.1260 -0.2970000 1.366000 
1 1 1  -40   16   10 o   19.450   0.4714   19.750   0.5181   19.150   0.7877 0.5993000 0.9428000 
1 1 1  -40   16   11 o   15.810   0.5725   16.030   0.6497   15.590   0.9429 0.4463000 1.145000 
1 1 1  -40   16   12 o   3.6940   1.1290   3.2250   1.4500   4.1640   1.7320 -0.9392000 2.258000 
1 1 1  -40   16   13 o   11.290   0.7067   11.390   0.8974   11.180   1.0920 0.2175000 1.413000 
1 1 1  -40   16   14 o   35.130   0.3179   35.100   0.4364   35.160   0.4623 -0.5330000E-01 0.6357000 
1 1 1  -40   16   15 f   10.610   0.6749   11.270   0.8540   9.9610   1.0450 1.306000 1.350000 
1 1 1  -40   16   16 o   8.7660   0.8523   7.1630   1.3810   10.370   0.9996 -3.206000 1.705000 
1 1 1  -40   16   17 o   3.4790   1.0110   2.2860   1.1290   4.6730   1.6770 -2.387000 2.022000 
1 1 1  -40   16   18 o   3.6640   1.0580   2.6330   1.2590   4.6950   1.7000 -2.062000 2.115000 
1 1 1  -40   16   19 o   4.3140   1.1600   4.6120   1.6480   4.0160   1.6340 0.5961000 2.321000 
1 1 1  -40   16   20 o   12.250   0.6902   13.590   0.8227   10.920   1.1080 2.679000 1.380000 
1 1 1  -40   16   21 o   30.920   0.3599   30.910   0.5228   30.920   0.4949 -0.6723000E-02 0.7199000 
1 1 1  -40   16   22 o   7.2190   1.0950   8.1110   1.3230   6.3260   1.7450 1.785000 2.190000 
1 1 1  -40   16   23 o   7.6510   1.0450   7.6090   1.4030   7.6930   1.5490 -0.8408000E-01 2.090000 
1 1 1  -40   16   24 o   5.4750   1.2570   5.8100   1.7350   5.1410   1.8190 0.6692000 2.513000 
1 1 1  -40   16   25 o   9.4010   0.9904   9.0990   1.3160   9.7030   1.4800 -0.6041000 1.981000 
1 1 1  -40   16   26 o   8.3600   1.4980   6.6400   2.3900   10.080   1.8050 -3.441000 2.996000 
1 1 1  -40   16   27 f   3.5870   1.1330   3.5670   1.5930   3.6070   1.6120 -0.3998000E-01 2.266000 
1 1 1  -40   16   28 o   6.8970   1.2240   6.3820   1.7800   7.4110   1.6820 -1.029000 2.449000 
1 1 1  -40   16   29 o   3.2010   1.0400   3.9820   1.6940   2.4190   1.2070 1.563000 2.079000 
1 1 1  -40   16   30 o   4.7290   1.2180   3.6630   1.6170   5.7950   1.8230 -2.132000 2.437000 
1 1 1  -40   16   31 o   2.4380   0.8669   2.7530   1.3530   2.1220   1.0840 0.6306000 1.734000 
1 1 1  -40   18    1 o   8.4990   0.8464   9.6790   0.9883   7.3190   1.3740 2.360000 1.693000 
1 1 1  -40   18    2 o   10.510   0.6563   9.7140   0.9864   11.310   0.8661 -1.597000 1.313000 
1 1 1  -40   18    3 o   17.770   0.4062   18.310   0.5603   17.240   0.5883 1.071000 0.8124000 
1 1 1  -40   18    4 o   5.0560   1.1070   4.0950   1.5890   6.0180   1.5400 -1.923000 2.213000 
1 1 1  -40   18    5 o   6.3980   1.0960   7.0780   1.3890   5.7170   1.6970 1.362000 2.192000 
1 1 1  -40   18    6 o   28.580   0.3270   28.330   0.4520   28.840   0.4726 -0.5092000 0.6539000 
1 1 1  -40   18    7 o   11.220   0.6407   11.640   0.8308   10.800   0.9756 0.8396000 1.281000 
1 1 1  -40   18    8 o   22.670   0.3588   22.220   0.4945   23.120   0.5200 -0.8988000 0.7176000 
1 1 1  -40   18    9 o   11.090   0.6719   11.960   0.8082   10.230   1.0740 1.727000 1.344000 
1 1 1  -40   18   10 o   17.710   0.4347   16.960   0.5965   18.450   0.6325 -1.492000 0.8694000 
1 1 1  -40   18   11 o   13.020   0.6928   12.350   0.7762   13.680   1.1480 -1.334000 1.386000 
1 1 1  -40   18   12 o   8.9010   1.0600   9.3710   1.0290   8.4310   1.8530 0.9405000 2.119000 
1 1 1  -40   18   13 o   24.630   0.4446   24.750   0.4698   24.510   0.7549 0.2338000 0.8891000 
1 1 1  -40   18   14 o   3.8180   1.1700   3.9500   1.5770   3.6850   1.7280 0.2647000 2.340000 
1 1 1  -40   18   15 o   3.5720   1.1520   3.2460   1.4490   3.8980   1.7900 -0.6521000 2.303000 
1 1 1  -40   18   16 o   3.9800   1.2430   3.3650   1.5170   4.5950   1.9700 -1.229000 2.486000 
1 1 1  -40   18   17 o   9.7380   0.8271   10.620   1.0190   8.8590   1.3030 1.758000 1.654000 
1 1 1  -40   18   18 o   8.8020   0.9799   9.2740   1.2260   8.3310   1.5290 0.9430000 1.960000 
1 1 1  -40   18   19 o   11.060   0.7944   11.550   1.0240   10.570   1.2150 0.9850000 1.589000 
1 1 1  -40   18   20 o   4.2470   1.2020   4.3560   1.6920   4.1380   1.7060 0.2186000 2.403000 
1 1 1  -40   18   21 f   6.9610   1.1660   7.5730   1.5050   6.3490   1.7820 1.224000 2.332000 
1 1 1  -40   18   22 o   3.2770   1.0630   3.3650   1.5190   3.1880   1.4870 0.1767000 2.126000 
1 1 1  -40   18   23 o   8.5740   1.2070   9.5210   1.4880   7.6270   1.9000 1.894000 2.413000 
1 1 1  -40   18   24 o   8.5480   1.5450   8.0360   2.3310   9.0590   2.0280 -1.023000 3.090000 
1 1 1  -40   18   25 f   6.7690   1.3770   7.5120   1.8740   6.0270   2.0180 1.485000 2.754000 
1 1 1  -40   18   26 o   4.8420   1.2850   4.7710   1.8080   4.9120   1.8270 -0.1407000 2.571000 
1 1 1  -40   18   27 o   11.240   0.8973   9.9140   1.4980   12.560   0.9879 -2.642000 1.795000 
1 1 1  -40   18   28 o   2.7370   0.9400   2.6270   1.2870   2.8480   1.3710 -0.2210000 1.880000 
1 1 1  -40   18   29 o   4.3870   1.2270   5.5720   1.9260   3.2020   1.5210 2.370000 2.454000 
1 1 1  -40   20    1 o   3.9700   1.1190   4.6710   1.6760   3.2690   1.4820 1.402000 2.238000 
1 1 1  -40   20    2 o   3.6700   1.0930   3.7680   1.5670   3.5720   1.5230 0.1961000 2.185000 
1 1 1  -40   20    3 o   6.8440   1.0470   7.5450   1.3500   6.1440   1.6010 1.402000 2.094000 
1 1 1  -40   20    4 o   10.910   0.6487   11.170   0.9026   10.660   0.9320 0.5079000 1.297000 
1 1 1  -40   20    5 o   12.460   0.6158   13.480   0.7565   11.440   0.9719 2.046000 1.232000 
1 1 1  -40   20    6 o   14.350   0.5385   15.620   0.6605   13.080   0.8506 2.537000 1.077000 
1 1 1  -40   20    7 f   15.740   0.4840   15.400   0.6685   16.070   0.7001 -0.6654000 0.9680000 
1 1 1  -40   20    8 o   10.860   0.7018   9.5410   1.0670   12.190   0.9117 -2.648000 1.404000 
1 1 1  -40   20    9 o   13.640   0.5539   13.560   0.7520   13.720   0.8133 -0.1654000 1.108000 
1 1 1  -40   20   10 o   16.800   0.4729   17.340   0.6164   16.260   0.7174 1.074000 0.9458000 
1 1 1  -40   20   11 o   4.5770   1.1110   5.7830   1.6210   3.3720   1.5200 2.410000 2.223000 
1 1 1  -40   20   12 o   4.6960   1.2100   4.8340   1.6820   4.5580   1.7400 0.2751000 2.420000 
1 1 1  -40   20   13 o   15.620   0.5067   16.140   0.6669   15.100   0.7631 1.037000 1.013000 
1 1 1  -40   20   14 o   21.630   0.4001   21.320   0.5537   21.940   0.5776 -0.6198000 0.8001000 
1 1 1  -40   20   15 o   14.440   0.6127   14.190   0.7616   14.690   0.9601 -0.4937000 1.225000 
1 1 1  -40   20   16 o   3.8280   1.2640   3.5520   1.5950   4.1040   1.9620 -0.5521000 2.529000 
1 1 1  -40   20   17 o   4.4630   1.4110   3.9310   1.6900   4.9950   2.2600 -1.065000 2.822000 
1 1 1  -40   20   18 o   10.170   1.0380   9.0040   1.2940   11.350   1.6240 -2.342000 2.076000 
1 1 1  -40   20   19 o   3.4860   1.1170   4.0480   1.6880   2.9240   1.4630 1.124000 2.234000 
1 1 1  -40   20   20 o   7.9580   1.3360   5.3610   1.9740   10.550   1.8000 -5.193000 2.672000 
1 1 1  -40   20   21 o   4.4700   1.3210   4.0650   1.7760   4.8750   1.9560 -0.8102000 2.642000 
1 1 1  -40   20   22 o   4.4080   1.2850   4.5320   1.7880   4.2850   1.8470 0.2468000 2.570000 
1 1 1  -40   20   23 o   12.860   0.8546   11.530   1.3290   14.200   1.0750 -2.677000 1.709000 
1 1 1  -40   20   24 o   8.8050   1.0170   8.9870   1.4210   8.6240   1.4540 0.3624000 2.033000 
1 1 1  -40   20   25 o   2.9350   0.9941   2.8240   1.3630   3.0460   1.4480 -0.2223000 1.988000 
1 1 1  -40   20   26 o   11.180   0.7832   10.030   1.2330   12.330   0.9668 -2.302000 1.566000 
1 1 1  -40   20   27 o   9.9640   0.9954   10.630   1.3110   9.2980   1.4980 1.332000 1.991000 
1 1 1  -40   20   28 o   2.2620   0.8225   2.1060   1.0900   2.4180   1.2320 -0.3124000 1.645000 
1 1 1  -40   22    1 o   18.840   0.4578   18.490   0.6326   19.200   0.6619 -0.7127000 0.9156000 
1 1 1  -40   22    2 o   17.680   0.4626   17.100   0.6560   18.270   0.6523 -1.164000 0.9252000 
1 1 1  -40   22    3 o   11.440   0.6689   11.380   0.9345   11.490   0.9572 -0.1096000 1.338000 
1 1 1  -40   22    4 o   5.9580   1.1310   4.6340   1.6920   7.2820   1.5000 -2.648000 2.262000 
1 1 1  -40   22    5 o   15.370   0.5359   16.040   0.6773   14.700   0.8306 1.338000 1.072000 
1 1 1  -40   22    6 o   5.7940   1.1200   7.4030   1.4580   4.1860   1.6990 3.218000 2.239000 
1 1 1  -40   22    7 o   13.860   0.5731   13.500   0.7973   14.230   0.8234 -0.7305000 1.146000 
1 1 1  -40   22    8 o   5.1580   1.1720   6.2780   1.6350   4.0390   1.6810 2.238000 2.345000 
1 1 1  -40   22    9 o   4.4250   1.1550   3.2440   1.4700   5.6060   1.7810 -2.362000 2.309000 
1 1 1  -40   22   10 o   6.9580   1.1370   7.3520   1.4880   6.5630   1.7210 0.7892000 2.275000 
1 1 1  -40   22   11 f   3.3440   1.0680   3.2450   1.4740   3.4430   1.5470 -0.1980000 2.137000 
1 1 1  -40   22   12 o   8.3660   1.1250   8.8460   1.4280   7.8860   1.7390 0.9600000 2.250000 
1 1 1  -40   22   13 o   11.190   0.8598   10.290   1.2400   12.090   1.1920 -1.799000 1.720000 
1 1 1  -40   22   14 o   23.140   0.4681   23.060   0.6431   23.210   0.6804 -0.1510000 0.9362000 
1 1 1  -40   22   15 o   8.7550   0.9733   9.2960   1.2190   8.2150   1.5180 1.081000 1.947000 
1 1 1  -40   22   16 o   6.3040   1.3340   6.4350   1.9200   6.1730   1.8530 0.2628000 2.668000 
1 1 1  -40   22   17 o   18.480   0.5839   18.220   0.8014   18.730   0.8494 -0.5061000 1.168000 
1 1 1  -40   22   18 o   4.0420   1.2630   3.7300   1.6920   4.3540   1.8770 -0.6240000 2.526000 
1 1 1  -40   22   19 o   6.3490   1.2870   6.6550   1.7230   6.0440   1.9120 0.6113000 2.574000 
1 1 1  -40   22   20 o   8.7860   1.2520   11.270   1.1080   6.3010   2.2450 4.970000 2.504000 
1 1 1  -40   22   21 o   4.1940   1.3980   3.6760   1.7010   4.7130   2.2190 -1.037000 2.796000 
1 1 1  -40   22   22 o   5.1090   1.5680   4.6570   1.9380   5.5620   2.4650 -0.9051000 3.136000 
1 1 1  -40   22   23 o   5.6130   1.3120   6.7860   1.7610   4.4390   1.9460 2.347000 2.624000 
1 1 1  -40   22   24 o   2.1230   0.7637   2.1060   1.0660   2.1400   1.0940 -0.3434000E-01 1.527000 
1 1 1  -40   22   25 o   3.2530   1.0870   2.9660   1.4330   3.5400   1.6350 -0.5736000 2.174000 
1 1 1  -40   22   26 o   1.8960   0.6983   1.9760   1.0270   1.8160   0.9460 0.1605000 1.397000 
1 1 1  -40   24    1 o   8.2370   1.0510   8.6080   1.3310   7.8660   1.6260 0.7420000 2.101000 
1 1 1  -40   24    2 o   13.010   0.7167   12.450   1.1260   13.560   0.8873 -1.110000 1.433000 
1 1 1  -40   24    3 o   16.480   0.6133   16.440   0.8690   16.520   0.8656 -0.8030000E-01 1.227000 
1 1 1  -40   24    4 o   10.800   0.8979   11.050   1.2310   10.550   1.3080 0.5078000 1.796000 
1 1 1  -40   24    5 o   5.9350   1.4140   5.7200   1.9410   6.1510   2.0550 -0.4306000 2.827000 
1 1 1  -40   24    6 o   6.0220   1.3930   5.3660   1.9210   6.6780   2.0160 -1.311000 2.785000 
1 1 1  -40   24    7 o   5.5590   1.4010   5.5150   1.9370   5.6030   2.0260 -0.8834000E-01 2.803000 
1 1 1  -40   24    8 o   23.120   0.4969   23.220   0.6731   23.030   0.7313 0.1839000 0.9939000 
1 1 1  -40   24    9 o   5.9400   1.4130   5.4200   2.1550   6.4600   1.8280 -1.040000 2.826000 
1 1 1  -40   24   10 o   5.5160   1.3260   6.3610   1.8870   4.6720   1.8640 1.689000 2.653000 
1 1 1  -40   24   11 o   9.1990   1.0990   10.080   1.3730   8.3180   1.7160 1.763000 2.197000 
1 1 1  -40   24   12 o   4.1690   1.2610   4.5320   1.8550   3.8060   1.7080 0.7265000 2.522000 
1 1 1  -40   24   13 o   6.2780   1.3380   7.4620   1.8370   5.0950   1.9460 2.367000 2.676000 
1 1 1  -40   24   14 o   5.5410   1.3090   5.1640   1.8160   5.9180   1.8860 -0.7542000 2.618000 
1 1 1  -40   24   15 f   3.4450   1.0910   4.0710   1.6960   2.8200   1.3720 1.251000 2.182000 
1 1 1  -40   24   16 o   5.5060   1.2310   6.7150   1.7210   4.2970   1.7600 2.417000 2.462000 
1 1 1  -40   24   17 o   5.4450   1.2650   6.5250   1.7900   4.3650   1.7880 2.159000 2.530000 
1 1 1  -40   24   18 o   4.8770   1.3790   4.9300   1.9320   4.8230   1.9680 0.1064000 2.757000 
1 1 1  -40   24   19 o   4.4890   1.2940   5.4930   1.9970   3.4850   1.6460 2.008000 2.588000 
1 1 1  -40   24   20 o   5.8490   1.1620   7.8350   1.6040   3.8640   1.6820 3.971000 2.324000 
1 1 1  -40   24   21 o   3.0860   1.0210   2.3890   1.1910   3.7830   1.6570 -1.394000 2.041000 
1 1 1  -40   24   22 o   3.8780   1.1500   5.1190   1.8910   2.6360   1.3090 2.483000 2.300000 
1 1 1  -40   24   23 o   2.7540   0.9739   2.2330   1.1290   3.2750   1.5870 -1.043000 1.948000 
1 1 1  -40   26    1 o   12.340   0.7270   11.730   1.0350   12.940   1.0210 -1.209000 1.454000 
1 1 1  -40   26    2 o   9.7970   0.9436   10.860   1.1230   8.7360   1.5170 2.123000 1.887000 
1 1 1  -40   26    3 o   10.460   0.8632   9.5530   1.2990   11.370   1.1380 -1.816000 1.726000 
1 1 1  -40   26    4 o   8.7120   1.0190   9.0670   1.3620   8.3580   1.5170 0.7095000 2.038000 
1 1 1  -40   26    5 o   9.0110   1.0590   11.370   1.0600   6.6560   1.8330 4.710000 2.117000 
1 1 1  -40   26    6 o   6.1800   1.1880   7.6840   1.5320   4.6760   1.8160 3.007000 2.376000 
1 1 1  -40   26    7 o   9.1800   0.9577   10.220   1.1250   8.1380   1.5500 2.084000 1.915000 
1 1 1  -40   26    8 o   12.250   0.7035   12.710   0.9234   11.790   1.0620 0.9184000 1.407000 
1 1 1  -40   26    9 o   9.7260   0.8824   9.2420   1.2740   10.210   1.2210 -0.9678000 1.765000 
1 1 1  -40   26   10 o   10.070   0.9375   11.880   0.9893   8.2550   1.5930 3.621000 1.875000 
1 1 1  -40   26   11 o   10.980   0.8045   11.500   1.0430   10.460   1.2250 1.041000 1.609000 
1 1 1  -40   26   12 o   8.9820   0.9999   8.5270   1.4440   9.4370   1.3830 -0.9097000 2.000000 
1 1 1  -40   26   13 o   4.7270   1.2780   4.1220   1.7270   5.3310   1.8840 -1.210000 2.556000 
1 1 1  -40   26   14 o   5.9430   1.3830   6.9070   1.9460   4.9790   1.9670 1.929000 2.767000 
1 1 1  -40   26   15 o   9.3450   1.1380   9.6220   1.4940   9.0690   1.7180 0.5533000 2.277000 
1 1 1  -40   26   16 o   3.2740   1.1020   2.8350   1.3900   3.7140   1.7110 -0.8784000 2.204000 
1 1 1  -40   26   17 o   3.0730   1.0430   3.2740   1.5440   2.8720   1.4030 0.4025000 2.086000 
1 1 1  -40   26   18 o   3.1440   1.0610   3.3990   1.5890   2.8890   1.4060 0.5104000 2.122000 
1 1 1  -40   26   19 o   2.7790   0.9618   2.2420   1.1350   3.3170   1.5530 -1.074000 1.924000 
1 1 1  -40   26   20 o   2.4090   0.8467   2.6460   1.2910   2.1730   1.0960 0.4731000 1.693000 
1 1 1  -40   28    1 o   4.6850   1.3590   5.1880   1.9770   4.1820   1.8640 1.007000 2.717000 
1 1 1  -40   28    2 o   7.6800   1.5110   7.1070   1.9580   8.2540   2.3010 -1.147000 3.022000 
1 1 1  -40   28    3 o   6.9310   1.2690   9.1850   1.5920   4.6760   1.9750 4.510000 2.537000 
1 1 1  -40   28    4 o   4.3400   1.3160   4.8330   1.9440   3.8470   1.7750 0.9863000 2.633000 
1 1 1  -40   28    5 o   4.5740   1.2910   5.7650   2.0100   3.3820   1.6210 2.383000 2.582000 
1 1 1  -40   28    6 o   4.5440   1.3550   4.3750   1.8510   4.7120   1.9800 -0.3370000 2.710000 
1 1 1  -40   28    7 o   4.0320   1.2720   3.8340   1.7240   4.2300   1.8710 -0.3953000 2.544000 
1 1 1  -40   28    8 o   4.1540   1.2650   4.7180   1.8960   3.5900   1.6740 1.128000 2.529000 
1 1 1  -40   28    9 o   3.6710   1.1920   3.6040   1.6580   3.7380   1.7150 -0.1338000 2.385000 
1 1 1  -40   28   10 o   3.2210   1.1090   3.2650   1.5840   3.1770   1.5520 0.8841000E-01 2.218000 
1 1 1  -40   28   11 o   3.7400   1.2310   3.4080   1.6310   4.0720   1.8440 -0.6641000 2.462000 
1 1 1  -40   28   12 o   7.4010   1.2080   9.2980   1.4550   5.5030   1.9300 3.795000 2.417000 
1 1 1  -40   28   13 o   3.0710   1.0380   3.0360   1.4580   3.1070   1.4800 -0.7106000E-01 2.077000 
1 1 1  -40   28   14 o   3.2160   1.0710   3.3050   1.5480   3.1280   1.4820 0.1772000 2.143000 
1 1 1  -40   28   15 o   3.0890   1.0220   2.9380   1.3950   3.2410   1.4930 -0.3026000 2.044000 
1 1 1  -40   28   16 o   2.5320   0.8819   2.4150   1.1990   2.6500   1.2940 -0.2342000 1.764000 
1 1 1  -40   30    1 o   2.4040   0.8488   2.7700   1.3440   2.0370   1.0370 0.7338000 1.698000 
1 1 1  -40   30    2 f   2.2570   0.8044   2.2500   1.1290   2.2640   1.1460 -0.1421000E-01 1.609000 
1 1 1  -40   30    3 o   2.7750   0.9509   2.9080   1.3910   2.6420   1.2970 0.2656000 1.902000 
1 1 1  -40   30    4 o   2.2970   0.8215   2.1120   1.0700   2.4830   1.2470 -0.3703000 1.643000 
1 1 1  -40   30    5 o   2.5510   0.8882   2.7630   1.3370   2.3390   1.1700 0.4246000 1.776000 
1 1 1  -40   30    6 o   2.7440   0.9411   2.8630   1.3740   2.6250   1.2870 0.2385000 1.882000 
1 1 1  -40   30    7 o   5.7890   1.1850   7.3090   1.6160   4.2690   1.7340 3.040000 2.370000 
1 1 1  -40   30    8 o   2.4340   0.8532   2.6300   1.2830   2.2370   1.1250 0.3925000 1.706000 
1 1 1  -40   30    9 o   2.2190   0.7914   1.8840   0.9633   2.5540   1.2560 -0.6700000 1.583000 
1 1 1  -39    1    1 o   52.600   0.4055   52.250   0.5711   52.940   0.5759 -0.6874000 0.8111000 
1 1 1  -39    1    2 f   60.920   0.4590   60.970   0.6498   60.870   0.6484 0.1034000 0.9180000 
1 1 1  -39    1    3 f   54.560   0.4165   54.040   0.5835   55.090   0.5945 -1.050000 0.8330000 
1 1 1  -39    1    4 o   19.880   0.3662   19.000   0.5723   20.760   0.4570 -1.762000 0.7324000 
1 1 1  -39    1    5 o   34.590   0.3741   34.030   0.5328   35.150   0.5253 -1.117000 0.7482000 
1 1 1  -39    1    6 o   39.320   0.3240   38.730   0.4528   39.910   0.4635 -1.183000 0.6480000 
1 1 1  -39    1    7 o   37.040   0.3897   37.720   0.5545   36.370   0.5478 1.355000 0.7794000 
1 1 1  -39    1    8 o   56.470   0.5293   56.190   0.7459   56.740   0.7512 -0.5531000 1.059000 
1 1 1  -39    1    9 o   92.980   0.6401   92.120   0.8287   93.840   0.9757 -1.722000 1.280000 
1 1 1  -39    1   10 o   36.920   0.2794   37.360   0.3986   36.490   0.3915 0.8708000 0.5588000 
1 1 1  -39    1   11 o   50.650   0.3422   51.360   0.4890   49.940   0.4787 1.419000 0.6843000 
1 1 1  -39    1   12 o   23.950   0.3106   24.160   0.4383   23.730   0.4403 0.4354000 0.6212000 
1 1 1  -39    1   13 o   38.210   0.4058   37.960   0.5781   38.460   0.5695 -0.4941000 0.8115000 
1 1 1  -39    1   14 f   44.750   0.3681   44.960   0.5245   44.540   0.5166 0.4225000 0.7362000 
1 1 1  -39    1   15 o   20.150   0.3148   20.280   0.4474   20.020   0.4429 0.2561000 0.6296000 
1 1 1  -39    1   16 o   23.350   0.2959   22.910   0.4218   23.790   0.4150 -0.8815000 0.5917000 
1 1 1  -39    1   17 o   18.010   0.3784   17.730   0.4903   18.290   0.5764 -0.5619000 0.7567000 
1 1 1  -39    1   18 o   47.970   0.4163   47.910   0.4773   48.020   0.6822 -0.1115000 0.8326000 
1 1 1  -39    1   19 o   6.0460   1.1140   5.9870   1.3570   6.1040   1.7670 -0.1172000 2.228000 
1 1 1  -39    1   20 o   11.240   0.6317   11.630   0.6974   10.850   1.0540 0.7855000 1.263000 
1 1 1  -39    1   21 o   21.450   0.3856   21.450   0.4487   21.450   0.6273 0.1623000E-02 0.7712000 
1 1 1  -39    1   22 o   18.130   0.5671   17.250   0.9241   19.000   0.6574 -1.751000 1.134000 
1 1 1  -39    1   23 o   11.390   0.7936   10.760   1.3700   12.020   0.8008 -1.266000 1.587000 
1 1 1  -39    1   24 o   20.900   0.4029   20.840   0.6607   20.960   0.4614 -0.1201000 0.8058000 
1 1 1  -39    1   25 o   7.4990   1.0240   6.5940   1.7840   8.4050   1.0040 -1.811000 2.047000 
1 1 1  -39    1   26 o   26.680   0.3370   26.640   0.5148   26.710   0.4351 -0.6302000E-01 0.6740000 
1 1 1  -39    1   27 o   21.030   0.5142   21.610   0.7144   20.460   0.7396 1.145000 1.028000 
1 1 1  -39    1   28 o   29.920   0.3402   29.660   0.4538   30.170   0.5070 -0.5162000 0.6804000 
1 1 1  -39    1   29 o   15.680   0.4695   14.590   0.7038   16.780   0.6216 -2.191000 0.9390000 
1 1 1  -39    1   30 o   5.8560   1.1540   4.7890   1.7060   6.9240   1.5540 -2.135000 2.308000 
1 1 1  -39    1   31 o   10.720   0.7380   10.130   1.0960   11.300   0.9885 -1.173000 1.476000 
1 1 1  -39    1   32 o   3.5920   1.1230   3.5580   1.5720   3.6260   1.6050 -0.6793000E-01 2.247000 
1 1 1  -39    1   33 o   6.6970   1.2100   7.0660   1.6550   6.3280   1.7660 0.7379000 2.420000 
1 1 1  -39    1   34 o   5.7250   1.2410   4.3720   1.8200   7.0770   1.6870 -2.705000 2.482000 
1 1 1  -39    1   35 o   2.6700   0.9465   2.4370   1.2340   2.9030   1.4360 -0.4661000 1.893000 
1 1 1  -39    1   36 o   5.3560   1.2650   5.7390   1.7680   4.9720   1.8080 0.7667000 2.529000 
1 1 1  -39    3    1 o   17.570   0.5884   17.570   0.5884  ?   ?       ?      ? 
1 1 1  -39    3    2 o   68.310   0.5373   66.890   0.8666   69.720   0.6355 -2.829000 1.075000 
1 1 1  -39    3    3 o   87.890   0.6870   87.270   1.1190   88.520   0.7980 -1.253000 1.374000 
1 1 1  -39    3    4 o   44.440   0.4568   44.580   0.6404   44.300   0.6516 0.2770000 0.9136000 
1 1 1  -39    3    5 o   51.710   0.5007   51.630   0.7081   51.800   0.7081 -0.1709000 1.001000 
1 1 1  -39    3    6 o   11.330   0.7692   10.810   1.1390   11.840   1.0340 -1.022000 1.538000 
1 1 1  -39    3    7 o   84.100   0.5363   83.880   0.7569   84.320   0.7600 -0.4435000 1.073000 
1 1 1  -39    3    8 o   34.710   0.2662   34.230   0.3790   35.190   0.3738 -0.9553000 0.5323000 
1 1 1  -39    3    9 o   27.880   0.3604   27.330   0.5094   28.440   0.5100 -1.112000 0.7208000 
1 1 1  -39    3   10 o   61.860   0.5220   63.090   0.8216   60.640   0.6443 2.452000 1.044000 
1 1 1  -39    3   11 o   49.600   0.3386   49.710   0.4807   49.480   0.4770 0.2277000 0.6772000 
1 1 1  -39    3   12 f   23.820   0.3623   23.270   0.4052   24.370   0.6008 -1.097000 0.7246000 
1 1 1  -39    3   13 o   41.180   0.3772   41.160   0.4311   41.200   0.6190 -0.3973000E-01 0.7543000 
1 1 1  -39    3   14 o   46.410   0.4309   46.200   0.5441   46.620   0.6683 -0.4222000 0.8618000 
1 1 1  -39    3   15 f   16.190   0.5180   15.250   0.6968   17.140   0.7666 -1.888000 1.036000 
1 1 1  -39    3   16 o   23.450   0.3776   23.260   0.4283   23.630   0.6221 -0.3650000 0.7552000 
1 1 1  -39    3   17 o   45.590   0.4056   45.660   0.4657   45.510   0.6643 0.1442000 0.8112000 
1 1 1  -39    3   18 o   29.210   0.2872   29.260   0.4085   29.160   0.4038 0.1080000 0.5744000 
1 1 1  -39    3   19 o   4.1970   1.0600   4.2450   1.5000   4.1490   1.4970 0.9594000E-01 2.119000 
1 1 1  -39    3   20 o   36.600   0.2955   36.800   0.4209   36.400   0.4148 0.3998000 0.5909000 
1 1 1  -39    3   21 o   18.970   0.3857   19.090   0.5586   18.850   0.5319 0.2400000 0.7713000 
1 1 1  -39    3   22 o   30.320   0.2875   30.320   0.4065   30.330   0.4068 -0.9071000E-02 0.5751000 
1 1 1  -39    3   23 o   3.8830   1.0810   3.4010   1.4340   4.3650   1.6180 -0.9632000 2.162000 
1 1 1  -39    3   24 o   6.5360   0.9215   7.2690   1.1350   5.8040   1.4520 1.464000 1.843000 
1 1 1  -39    3   25 o   22.850   0.3226   22.890   0.4560   22.800   0.4565 0.8936000E-01 0.6452000 
1 1 1  -39    3   26 o   29.150   0.4057   28.630   0.6280   29.680   0.5139 -1.041000 0.8115000 
1 1 1  -39    3   27 o   31.020   0.3943   30.680   0.6526   31.360   0.4426 -0.6811000 0.7885000 
1 1 1  -39    3   28 o   11.120   1.2550   13.040   2.1790   9.1990   1.2460 3.839000 2.510000 
1 1 1  -39    3   29 o   15.410   0.5391   16.450   0.7918   14.370   0.7318 2.077000 1.078000 
1 1 1  -39    3   30 o   6.4720   1.1000   4.9420   1.7070   8.0020   1.3880 -3.060000 2.200000 
1 1 1  -39    3   31 o   8.6270   0.9544   8.3870   1.3880   8.8660   1.3110 -0.4788000 1.909000 
1 1 1  -39    3   32 o   6.3670   1.2040   7.5200   1.5790   5.2150   1.8180 2.305000 2.407000 
1 1 1  -39    3   33 o   3.5330   1.1050   2.9050   1.3900   4.1610   1.7180 -1.255000 2.210000 
1 1 1  -39    3   34 o   12.130   0.7922   12.110   1.1350   12.150   1.1050 -0.4042000E-01 1.584000 
1 1 1  -39    3   35 o   3.6150   1.1250   4.7050   1.8610   2.5240   1.2630 2.180000 2.250000 
1 1 1  -39    5    2 o   70.240   0.9308  ?   ?    70.240   0.9308      ?      ? 
1 1 1  -39    5    3 o   74.260   0.6869   73.600   0.9610   74.920   0.9818 -1.318000 1.374000 
1 1 1  -39    5    4 o   49.760   0.7114   47.830   0.9682   51.680   1.0430 -3.845000 1.423000 
1 1 1  -39    5    5 o   36.050   0.6201   35.440   0.8564   36.650   0.8972 -1.210000 1.240000 
1 1 1  -39    5    6 f   44.750   0.4680   44.650   0.6606   44.850   0.6631 -0.2047000 0.9360000 
1 1 1  -39    5    7 o   32.800   0.4258   32.750   0.6026   32.850   0.6017 -0.9669000E-01 0.8516000 
1 1 1  -39    5    8 o   28.620   0.4316   28.300   0.6141   28.930   0.6066 -0.6213000 0.8632000 
1 1 1  -39    5    9 o   44.460   0.3968   43.940   0.4391   44.980   0.6611 -1.036000 0.7936000 
1 1 1  -39    5   10 o   17.570   0.4754   17.760   0.5060   17.380   0.8049 0.3829000 0.9507000 
1 1 1  -39    5   11 o   30.790   0.3599   30.570   0.3938   31.020   0.6025 -0.4482000 0.7198000 
1 1 1  -39    5   12 o   71.810   0.5046   71.800   0.6592   71.820   0.7641 -0.2042000E-01 1.009000 
1 1 1  -39    5   13 o   20.650   0.3182   20.480   0.4475   20.820   0.4525 -0.3395000 0.6364000 
1 1 1  -39    5   14 o   15.630   0.3845   15.070   0.5543   16.190   0.5331 -1.121000 0.7690000 
1 1 1  -39    5   15 o   28.080   0.3523   27.990   0.5101   28.170   0.4862 -0.1797000 0.7047000 
1 1 1  -39    5   16 o   7.4990   0.7897   7.4700   1.1260   7.5270   1.1080 -0.5698000E-01 1.579000 
1 1 1  -39    5   17 o   14.040   0.4314   13.970   0.6101   14.100   0.6101 -0.1368000 0.8628000 
1 1 1  -39    5   18 o   25.900   0.2913   25.700   0.4162   26.100   0.4077 -0.3964000 0.5826000 
1 1 1  -39    5   19 o   16.410   0.4362   16.570   0.6103   16.250   0.6234 0.3163000 0.8724000 
1 1 1  -39    5   20 o   33.010   0.3373   33.230   0.4805   32.790   0.4734 0.4482000 0.6745000 
1 1 1  -39    5   21 o   31.070   0.2858   31.090   0.4034   31.050   0.4048 0.4375000E-01 0.5715000 
1 1 1  -39    5   22 o   14.930   0.4025   15.100   0.5577   14.770   0.5806 0.3287000 0.8050000 
1 1 1  -39    5   23 o   11.990   0.5391   12.040   0.7220   11.940   0.8008 0.9980000E-01 1.078000 
1 1 1  -39    5   24 o   29.240   0.2978   29.380   0.4217   29.100   0.4205 0.2749000 0.5956000 
1 1 1  -39    5   25 o   19.450   0.4064   19.780   0.5543   19.110   0.5944 0.6670000 0.8127000 
1 1 1  -39    5   26 o   33.130   0.3096   33.370   0.4364   32.890   0.4393 0.4805000 0.6193000 
1 1 1  -39    5   27 f   28.330   0.3151   28.320   0.4437   28.340   0.4476 -0.2178000E-01 0.6302000 
1 1 1  -39    5   28 f   6.5100   1.0850   8.6840   1.3360   4.3370   1.7100 4.347000 2.170000 
1 1 1  -39    5   29 o   15.270   0.5326   15.200   0.7992   15.340   0.7043 -0.1341000 1.065000 
1 1 1  -39    5   30 o   14.310   0.6880   14.510   1.1200   14.120   0.7998 0.3904000 1.376000 
1 1 1  -39    5   31 o   9.1660   1.1080   8.8310   1.8510   9.5020   1.2190 -0.6712000 2.217000 
1 1 1  -39    5   32 o   5.3740   1.3150   4.4500   1.9420   6.2990   1.7730 -1.849000 2.630000 
1 1 1  -39    5   33 o   7.3130   1.2680   6.3290   1.9080   8.2970   1.6700 -1.968000 2.535000 
1 1 1  -39    5   34 o   4.9400   1.3200   4.8770   1.8070   5.0030   1.9230 -0.1260000 2.639000 
1 1 1  -39    5   35 o   3.5870   1.1520   3.4360   1.5850   3.7380   1.6720 -0.3022000 2.304000 
1 1 1  -39    7    1 o   22.550   0.4779   20.870   0.5337   24.230   0.7929 -3.360000 0.9558000 
1 1 1  -39    7    2 o   30.690   0.4772   30.330   0.6591   31.050   0.6903 -0.7178000 0.9544000 
1 1 1  -39    7    3 o   29.030   0.6552   29.030   0.6552  ?   ?       ?      ? 
1 1 1  -39    7    4 o   63.050   0.6011   62.810   0.8477   63.300   0.8526 -0.4868000 1.202000 
1 1 1  -39    7    5 o   64.550   0.6113   64.130   0.8592   64.970   0.8698 -0.8407000 1.223000 
1 1 1  -39    7    6 o   68.880   0.6456   69.140   0.9152   68.620   0.9108 0.5292000 1.291000 
1 1 1  -39    7    7 o   24.660   0.5002   24.270   0.7091   25.060   0.7058 -0.7882000 1.000000 
1 1 1  -39    7    8 f   23.000   0.2830   22.830   0.4222   23.170   0.3771 -0.3403000 0.5661000 
1 1 1  -39    7    9 o   15.540   0.3579   16.300   0.4558   14.770   0.5519 1.535000 0.7158000 
1 1 1  -39    7   10 o   45.470   0.3795   44.780   0.5289   46.170   0.5443 -1.395000 0.7589000 
1 1 1  -39    7   11 o   27.280   0.2895   27.300   0.4021   27.270   0.4165 0.3242000E-01 0.5789000 
1 1 1  -39    7   12 o   20.590   0.3929   19.910   0.6344   21.260   0.4636 -1.348000 0.7857000 
1 1 1  -39    7   13 o   23.550   0.3110   23.710   0.4325   23.380   0.4469 0.3313000 0.6219000 
1 1 1  -39    7   14 o   18.080   0.3650   18.410   0.4937   17.760   0.5376 0.6523000 0.7300000 
1 1 1  -39    7   15 o   42.860   0.3815   42.640   0.5431   43.070   0.5359 -0.4339000 0.7630000 
1 1 1  -39    7   16 o   43.660   0.3250   43.850   0.4624   43.470   0.4568 0.3813000 0.6500000 
1 1 1  -39    7   17 o   44.870   0.3573   44.410   0.5386   45.330   0.4698 -0.9193000 0.7147000 
1 1 1  -39    7   18 o   14.710   0.4903   14.380   0.6986   15.050   0.6881 -0.6750000 0.9806000 
1 1 1  -39    7   19 o   12.020   0.4948   12.120   0.6789   11.920   0.7200 0.2002000 0.9896000 
1 1 1  -39    7   20 o   26.170   0.2987   26.110   0.4165   26.240   0.4283 -0.1251000 0.5974000 
1 1 1  -39    7   21 o   17.570   0.3659   17.510   0.5098   17.640   0.5251 -0.1350000 0.7319000 
1 1 1  -39    7   22 o   12.140   0.4962   12.100   0.6842   12.180   0.7188 -0.7596000E-01 0.9924000 
1 1 1  -39    7   23 o   25.560   0.3418   25.210   0.4637   25.900   0.5024 -0.6904000 0.6837000 
1 1 1  -39    7   24 o   19.980   0.4010   20.790   0.5311   19.160   0.6011 1.628000 0.8021000 
1 1 1  -39    7   25 o   23.080   0.3317   22.790   0.4640   23.380   0.4740 -0.5915000 0.6633000 
1 1 1  -39    7   26 o   29.820   0.3123   30.020   0.4384   29.620   0.4447 0.3996000 0.6245000 
1 1 1  -39    7   27 o   15.680   0.4513   15.900   0.6105   15.450   0.6647 0.4483000 0.9025000 
1 1 1  -39    7   28 o   5.9610   1.1950   4.2740   1.7420   7.6490   1.6360 -3.375000 2.390000 
1 1 1  -39    7   29 o   8.2380   0.9594   10.200   1.0230   6.2750   1.6230 3.927000 1.919000 
1 1 1  -39    7   30 o   6.6420   1.1330   7.1640   1.4740   6.1190   1.7210 1.044000 2.266000 
1 1 1  -39    7   31 o   12.080   0.6831   13.170   0.8493   10.980   1.0700 2.190000 1.366000 
1 1 1  -39    7   32 o   3.7890   1.2200   3.7750   1.7480   3.8040   1.7020 -0.2812000E-01 2.440000 
1 1 1  -39    7   33 o   3.5310   1.1770   3.8400   1.7860   3.2220   1.5330 0.6178000 2.353000 
1 1 1  -39    7   34 o   3.7450   1.2020   3.8150   1.7720   3.6750   1.6250 0.1398000 2.404000 
1 1 1  -39    7   35 o   2.2300   0.8081   2.5430   1.2820   1.9170   0.9838 0.6260000 1.616000 
1 1 1  -39    9    1 o   43.230   0.3876   43.320   0.5408   43.150   0.5554 0.1717000 0.7752000 
1 1 1  -39    9    2 o   49.840   0.3826   50.150   0.4910   49.530   0.5868 0.6225000 0.7651000 
1 1 1  -39    9    3 o   19.300   0.3791   20.100   0.5457   18.500   0.5262 1.603000 0.7581000 
1 1 1  -39    9    4 o   35.450   0.2824   34.880   0.3871   36.030   0.4113 -1.154000 0.5648000 
1 1 1  -39    9    5 o   30.130   0.2789   28.420   0.3539   31.840   0.4312 -3.424000 0.5579000 
1 1 1  -39    9    6 o   29.230   0.2786   30.010   0.3975   28.450   0.3906 1.561000 0.5573000 
1 1 1  -39    9    7 o   9.2260   0.5354   9.5260   0.6374   8.9270   0.8604 0.5994000 1.071000 
1 1 1  -39    9    8 o   21.530   0.3569   21.430   0.4722   21.640   0.5352 -0.2108000 0.7138000 
1 1 1  -39    9    9 o   14.790   0.4567   14.750   0.5906   14.820   0.6968 -0.6594000E-01 0.9134000 
1 1 1  -39    9   10 o   9.2580   0.6756   10.140   0.7940   8.3780   1.0930 1.760000 1.351000 
1 1 1  -39    9   11 o   20.600   0.3410   20.430   0.4675   20.770   0.4966 -0.3417000 0.6820000 
1 1 1  -39    9   12 o   25.950   0.3117   26.040   0.4251   25.860   0.4561 0.1784000 0.6235000 
1 1 1  -39    9   13 o   22.000   0.3318   22.080   0.4593   21.930   0.4790 0.1503000 0.6636000 
1 1 1  -39    9   14 o   31.040   0.3699   31.050   0.5393   31.030   0.5066 0.2570000E-01 0.7399000 
1 1 1  -39    9   15 o   26.420   0.4977   26.210   0.7502   26.630   0.6542 -0.4207000 0.9953000 
1 1 1  -39    9   16 o   44.910   0.3862   44.780   0.5504   45.050   0.5419 -0.2728000 0.7724000 
1 1 1  -39    9   17 o   22.840   0.3219   22.630   0.4550   23.040   0.4554 -0.4090000 0.6438000 
1 1 1  -39    9   18 o   12.060   0.5043   11.300   0.7318   12.810   0.6940 -1.510000 1.009000 
1 1 1  -39    9   19 o   13.390   0.4625   12.920   0.6501   13.870   0.6581 -0.9498000 0.9251000 
1 1 1  -39    9   20 f   9.7120   0.6356   10.770   0.7790   8.6540   1.0040 2.117000 1.271000 
1 1 1  -39    9   21 o   20.200   0.3391   20.490   0.4643   19.920   0.4944 0.5793000 0.6782000 
1 1 1  -39    9   22 o   8.1910   0.8988   9.1910   1.0020   7.1910   1.4930 1.999000 1.798000 
1 1 1  -39    9   23 o   24.790   0.4135   23.940   0.5405   25.640   0.6259 -1.706000 0.8270000 
1 1 1  -39    9   24 o   13.730   0.4759   13.740   0.6395   13.710   0.7049 0.2315000E-01 0.9518000 
1 1 1  -39    9   25 o   22.980   0.3392   22.950   0.4674   23.000   0.4918 -0.4988000E-01 0.6785000 
1 1 1  -39    9   26 o   19.020   0.3976   19.240   0.5427   18.800   0.5814 0.4438000 0.7953000 
1 1 1  -39    9   27 o   7.1360   1.0220   7.8510   1.2800   6.4220   1.5930 1.429000 2.043000 
1 1 1  -39    9   28 f   11.000   0.8414   10.240   1.2860   11.760   1.0860 -1.516000 1.683000 
1 1 1  -39    9   29 o   11.100   0.7012   10.560   1.0190   11.630   0.9633 -1.071000 1.402000 
1 1 1  -39    9   30 o   7.2880   1.1080   8.0770   1.3710   6.4990   1.7420 1.577000 2.217000 
1 1 1  -39    9   31 o   4.0340   1.2470   4.3810   1.8420   3.6870   1.6810 0.6933000 2.494000 
1 1 1  -39    9   32 o   4.1490   1.2510   3.4260   1.6060   4.8720   1.9180 -1.446000 2.502000 
1 1 1  -39    9   33 o   3.7080   1.1420   4.0250   1.6890   3.3900   1.5390 0.6350000 2.285000 
1 1 1  -39    9   34 o   2.0650   0.7424   1.9510   0.9966   2.1790   1.1010 -0.2284000 1.485000 
1 1 1  -39   11    1 o   46.520   0.4032   46.810   0.4827   46.230   0.6459 0.5801000 0.8064000 
1 1 1  -39   11    2 o   27.410   0.4177   27.100   0.5482   27.730   0.6304 -0.6371000 0.8354000 
1 1 1  -39   11    3 o   44.830   0.3954   45.450   0.5631   44.210   0.5552 1.237000 0.7908000 
1 1 1  -39   11    4 o   15.790   0.5473   15.200   0.7668   16.380   0.7812 -1.175000 1.095000 
1 1 1  -39   11    5 o   27.040   0.3811   26.870   0.5257   27.210   0.5518 -0.3377000 0.7621000 
1 1 1  -39   11    6 o   21.670   0.4174   22.180   0.5640   21.170   0.6153 1.013000 0.8347000 
1 1 1  -39   11    7 o   24.500   0.3546   25.750   0.5104   23.260   0.4924 2.488000 0.7092000 
1 1 1  -39   11    8 o   34.880   0.2987   34.100   0.4120   35.660   0.4327 -1.564000 0.5975000 
1 1 1  -39   11    9 o   35.620   0.3042   34.910   0.4197   36.330   0.4405 -1.423000 0.6085000 
1 1 1  -39   11   10 o   47.730   0.3452   47.890   0.4853   47.580   0.4911 0.3141000 0.6905000 
1 1 1  -39   11   11 o   27.020   0.3601   26.700   0.5003   27.350   0.5179 -0.6457000 0.7201000 
1 1 1  -39   11   12 o   9.5890   0.8076   8.7970   1.1960   10.380   1.0860 -1.584000 1.615000 
1 1 1  -39   11   13 o   38.930   0.4721   38.480   0.6839   39.380   0.6509 -0.8977000 0.9441000 
1 1 1  -39   11   14 o   31.940   0.3750   32.330   0.5435   31.540   0.5168 0.7913000 0.7499000 
1 1 1  -39   11   15 o   49.660   0.3564   49.530   0.5037   49.800   0.5043 -0.2709000 0.7127000 
1 1 1  -39   11   16 o   25.480   0.3316   25.160   0.4864   25.790   0.4509 -0.6359000 0.6632000 
1 1 1  -39   11   17 o   20.580   0.3485   20.760   0.4794   20.390   0.5058 0.3692000 0.6969000 
1 1 1  -39   11   18 o   10.420   0.6127   10.470   0.8434   10.370   0.8890 0.1052000 1.225000 
1 1 1  -39   11   19 o   10.160   0.6374   9.7970   0.9143   10.520   0.8884 -0.7261000 1.275000 
1 1 1  -39   11   20 o   14.820   0.5057   13.680   0.7194   15.950   0.7108 -2.269000 1.011000 
1 1 1  -39   11   21 o   7.5250   0.9554   6.6700   1.3990   8.3810   1.3010 -1.710000 1.911000 
1 1 1  -39   11   22 o   6.6030   1.0380   7.0950   1.2970   6.1120   1.6200 0.9834000 2.076000 
1 1 1  -39   11   23 o   8.8790   0.8081   8.5120   1.1100   9.2470   1.1740 -0.7350000 1.616000 
1 1 1  -39   11   24 o   26.950   0.3208   26.900   0.4442   27.010   0.4630 -0.1117000 0.6416000 
1 1 1  -39   11   25 o   16.000   0.4528   16.040   0.6145   15.960   0.6651 0.7613000E-01 0.9055000 
1 1 1  -39   11   26 o   9.1900   0.7803   9.3470   1.0260   9.0330   1.1760 0.3148000 1.561000 
1 1 1  -39   11   27 o   17.330   0.5455   16.900   0.7612   17.750   0.7817 -0.8546000 1.091000 
1 1 1  -39   11   28 o   11.750   0.6854   12.490   0.8542   11.020   1.0720 1.470000 1.371000 
1 1 1  -39   11   29 o   4.9540   1.2530   5.0270   1.7380   4.8820   1.8040 0.1447000 2.505000 
1 1 1  -39   11   30 o   4.1750   1.2680   4.3840   1.8200   3.9660   1.7650 0.4183000 2.535000 
1 1 1  -39   11   31 o   6.0020   1.2790   7.2220   1.6730   4.7810   1.9360 2.441000 2.559000 
1 1 1  -39   11   32 o   6.8620   1.1760   5.4730   1.8000   8.2520   1.5120 -2.779000 2.351000 
1 1 1  -39   11   33 o   3.1730   1.0400   3.4510   1.5500   2.8950   1.3880 0.5565000 2.081000 
1 1 1  -39   13    1 o   21.730   0.3930   21.790   0.5216   21.680   0.5879 0.1061000 0.7859000 
1 1 1  -39   13    2 o   10.170   0.7103   9.9850   0.9528   10.360   1.0540 -0.3725000 1.421000 
1 1 1  -39   13    3 o   30.000   0.3578   29.850   0.4705   30.140   0.5391 -0.2889000 0.7156000 
1 1 1  -39   13    4 o   39.550   0.3972   39.590   0.5065   39.520   0.6119 0.6921000E-01 0.7943000 
1 1 1  -39   13    5 o   28.890   0.3809   28.970   0.4799   28.800   0.5916 0.1667000 0.7618000 
1 1 1  -39   13    6 o   16.230   0.5264   16.310   0.6561   16.150   0.8234 0.1636000 1.053000 
1 1 1  -39   13    7 o   9.7000   0.8206   8.8390   1.1440   10.560   1.1760 -1.722000 1.641000 
1 1 1  -39   13    8 o   15.820   0.5096   15.610   0.6007   16.020   0.8233 -0.4118000 1.019000 
1 1 1  -39   13    9 o   10.730   0.6427   10.760   0.8623   10.700   0.9531 0.6057000E-01 1.285000 
1 1 1  -39   13   10 o   20.750   0.3658   20.960   0.4954   20.530   0.5383 0.4277000 0.7315000 
1 1 1  -39   13   11 o   27.180   0.3849   26.540   0.5409   27.810   0.5478 -1.266000 0.7698000 
1 1 1  -39   13   12 o   9.2110   1.1000   8.4950   1.8030   9.9280   1.2590 -1.433000 2.199000 
1 1 1  -39   13   13 o   14.470   0.4856   14.380   0.6731   14.560   0.7002 -0.1745000 0.9712000 
1 1 1  -39   13   14 o   6.9600   0.9752   6.6670   1.3790   7.2520   1.3790 -0.5855000 1.950000 
1 1 1  -39   13   15 o   10.790   0.6219   10.480   0.8769   11.100   0.8822 -0.6209000 1.244000 
1 1 1  -39   13   16 o   9.6490   0.6918   9.8580   0.9119   9.4390   1.0400 0.4185000 1.384000 
1 1 1  -39   13   17 o   18.990   0.4247   18.910   0.5772   19.080   0.6232 -0.1744000 0.8494000 
1 1 1  -39   13   18 o   21.790   0.3966   21.870   0.5289   21.710   0.5912 0.1622000 0.7933000 
1 1 1  -39   13   19 o   16.710   0.4895   17.230   0.6216   16.200   0.7563 1.032000 0.9790000 
1 1 1  -39   13   20 o   19.290   0.3881   19.340   0.5330   19.240   0.5643 0.9739000E-01 0.7762000 
1 1 1  -39   13   21 o   13.660   0.5454   14.100   0.6820   13.220   0.8512 0.8771000 1.091000 
1 1 1  -39   13   22 o   7.5540   0.9956   7.0630   1.3930   8.0460   1.4230 -0.9829000 1.991000 
1 1 1  -39   13   23 o   12.310   0.5778   12.550   0.7504   12.080   0.8789 0.4751000 1.156000 
1 1 1  -39   13   24 o   15.350   0.4920   15.750   0.6541   14.950   0.7351 0.8011000 0.9840000 
1 1 1  -39   13   25 o   14.450   0.5273   15.250   0.6675   13.640   0.8165 1.612000 1.055000 
1 1 1  -39   13   26 o   4.3470   1.1520   5.2740   1.7020   3.4190   1.5530 1.855000 2.304000 
1 1 1  -39   13   27 o   13.880   0.6910   13.100   0.9989   14.670   0.9550 -1.573000 1.382000 
1 1 1  -39   13   28 o   16.890   0.5043   16.370   0.7153   17.420   0.7111 -1.048000 1.009000 
1 1 1  -39   13   29 o   12.730   0.7986   11.840   1.1730   13.620   1.0840 -1.782000 1.597000 
1 1 1  -39   13   30 o   5.9670   1.2870   5.9750   1.7800   5.9600   1.8590 0.1416000E-01 2.574000 
1 1 1  -39   13   31 o   13.040   0.6654   13.610   0.8827   12.470   0.9960 1.143000 1.331000 
1 1 1  -39   13   32 o   4.0000   1.1920   4.1850   1.7140   3.8150   1.6580 0.3696000 2.384000 
1 1 1  -39   13   33 o   2.6840   0.9468   2.7140   1.3180   2.6540   1.3600 0.5931000E-01 1.894000 
1 1 1  -39   15    1 o   28.580   0.3781   28.530   0.5078   28.630   0.5603 -0.1041000 0.7562000 
1 1 1  -39   15    2 o   13.310   0.6047   12.530   0.8745   14.090   0.8355 -1.566000 1.209000 
1 1 1  -39   15    3 o   22.670   0.4064   22.930   0.5543   22.410   0.5946 0.5124000 0.8129000 
1 1 1  -39   15    4 o   26.970   0.3823   27.430   0.5278   26.510   0.5532 0.9168000 0.7646000 
1 1 1  -39   15    5 o   11.450   0.7231   11.310   0.9896   11.590   1.0550 -0.2803000 1.446000 
1 1 1  -39   15    6 o   33.280   0.3708   33.490   0.5128   33.070   0.5358 0.4180000 0.7417000 
1 1 1  -39   15    7 o   25.680   0.4887   25.550   0.5263   25.810   0.8237 -0.2515000 0.9775000 
1 1 1  -39   15    8 o   13.010   0.8303   13.420   0.8205   12.600   1.4440 0.8191000 1.661000 
1 1 1  -39   15    9 o   9.5650   1.1720   10.170   1.0930   8.9580   2.0740 1.215000 2.344000 
1 1 1  -39   15   10 o   33.220   0.3927   31.830   0.4799   34.620   0.6217 -2.789000 0.7853000 
1 1 1  -39   15   11 o   20.690   0.4527   20.680   0.5012   20.690   0.7539 -0.9899000E-02 0.9053000 
1 1 1  -39   15   12 o   20.820   0.4616   21.270   0.4911   20.370   0.7819 0.8968000 0.9233000 
1 1 1  -39   15   13 o   32.330   0.3854   32.920   0.4302   31.730   0.6396 1.188000 0.7708000 
1 1 1  -39   15   14 o   4.6260   1.2300   4.4350   1.6940   4.8160   1.7850 -0.3815000 2.461000 
1 1 1  -39   15   15 o   28.070   0.3673   27.880   0.5073   28.260   0.5313 -0.3753000 0.7346000 
1 1 1  -39   15   16 o   4.7350   1.1430   5.2450   1.5860   4.2260   1.6450 1.019000 2.285000 
1 1 1  -39   15   17 f   31.190   0.3226   31.200   0.4520   31.180   0.4604 0.2055000E-01 0.6452000 
1 1 1  -39   15   18 o   24.280   0.3475   24.410   0.4827   24.150   0.5000 0.2576000 0.6950000 
1 1 1  -39   15   19 o   8.2960   0.8622   8.7420   1.0900   7.8510   1.3370 0.8905000 1.724000 
1 1 1  -39   15   20 o   6.9620   1.0770   7.5510   1.3090   6.3730   1.7120 1.178000 2.155000 
1 1 1  -39   15   21 f   4.3190   1.2030   4.4480   1.6900   4.1890   1.7120 0.2586000 2.405000 
1 1 1  -39   15   22 o   8.9250   0.8460   8.9140   1.1380   8.9360   1.2520 -0.2160000E-01 1.692000 
1 1 1  -39   15   23 o   6.9910   1.0790   5.7900   1.6480   8.1920   1.3950 -2.401000 2.159000 
1 1 1  -39   15   24 o   6.4510   1.1430   7.4340   1.4220   5.4690   1.7900 1.965000 2.286000 
1 1 1  -39   15   25 o   15.760   0.5253   15.510   0.7227   16.020   0.7625 -0.5080000 1.051000 
1 1 1  -39   15   26 o   6.2260   1.2340   4.0850   1.7830   8.3670   1.7060 -4.281000 2.468000 
1 1 1  -39   15   27 o   3.3500   1.1170   3.2740   1.5500   3.4250   1.6070 -0.1515000 2.233000 
1 1 1  -39   15   28 o   4.4350   1.2420   4.0120   1.6800   4.8580   1.8300 -0.8458000 2.484000 
1 1 1  -39   15   29 o   8.9000   1.0150   9.9280   1.2120   7.8720   1.6290 2.056000 2.030000 
1 1 1  -39   15   30 o   3.3970   1.0970   3.6510   1.6210   3.1440   1.4790 0.5065000 2.194000 
1 1 1  -39   15   31 o   3.0700   1.0170   2.7060   1.3140   3.4340   1.5530 -0.7281000 2.034000 
1 1 1  -39   17    1 o   12.060   0.6175   12.050   0.8581   12.070   0.8883 -0.1689000E-01 1.235000 
1 1 1  -39   17    2 o   27.480   0.3561   26.680   0.4990   28.280   0.5080 -1.598000 0.7121000 
1 1 1  -39   17    3 o   11.910   0.6146   11.800   0.8678   12.030   0.8704 -0.2220000 1.229000 
1 1 1  -39   17    4 o   19.690   0.4068   19.220   0.5810   20.150   0.5696 -0.9296000 0.8137000 
1 1 1  -39   17    5 o   11.050   0.7258   11.590   0.8844   10.500   1.1510 1.089000 1.452000 
1 1 1  -39   17    6 o   14.390   0.5591   14.480   0.7410   14.310   0.8373 0.1782000 1.118000 
1 1 1  -39   17    7 f   16.780   0.4817   17.020   0.6385   16.530   0.7213 0.4953000 0.9633000 
1 1 1  -39   17    8 o   4.8190   1.2290   4.7300   1.6910   4.9080   1.7830 -0.1777000 2.457000 
1 1 1  -39   17    9 o   13.900   0.5817   14.360   0.7421   13.450   0.8960 0.9075000 1.163000 
1 1 1  -39   17   10 o   22.940   0.4036   23.190   0.5275   22.690   0.6110 0.5064000 0.8072000 
1 1 1  -39   17   11 o   17.160   0.4983   17.840   0.6133   16.490   0.7856 1.358000 0.9967000 
1 1 1  -39   17   12 o   5.1390   1.2290   4.3730   1.6140   5.9050   1.8550 -1.532000 2.459000 
1 1 1  -39   17   13 o   23.640   0.4523   24.380   0.4691   22.910   0.7734 1.467000 0.9045000 
1 1 1  -39   17   14 o   29.510   0.4103   29.840   0.4422   29.180   0.6912 0.6644000 0.8206000 
1 1 1  -39   17   15 f   8.8060   1.1090   9.0820   1.2080   8.5290   1.8610 0.5522000 2.218000 
1 1 1  -39   17   16 o   16.060   0.6211   17.080   0.6293   15.040   1.0710 2.042000 1.242000 
1 1 1  -39   17   17 o   6.1280   1.2900   6.7140   1.5160   5.5410   2.0880 1.172000 2.580000 
1 1 1  -39   17   18 o   5.7050   1.1980   5.8730   1.6350   5.5370   1.7500 0.3364000 2.395000 
1 1 1  -39   17   19 o   11.040   0.7444   10.450   1.0360   11.620   1.0700 -1.170000 1.489000 
1 1 1  -39   17   20 o   9.5500   0.8938   10.260   1.0690   8.8360   1.4330 1.428000 1.788000 
1 1 1  -39   17   21 o   19.480   0.4357   19.780   0.5813   19.170   0.6493 0.6120000 0.8714000 
1 1 1  -39   17   22 o   4.4670   1.2170   4.3580   1.6800   4.5760   1.7610 -0.2179000 2.434000 
1 1 1  -39   17   23 o   14.910   0.5514   15.020   0.7385   14.790   0.8190 0.2303000 1.103000 
1 1 1  -39   17   24 o   7.6290   1.1130   9.4170   1.2230   5.8410   1.8590 3.576000 2.225000 
1 1 1  -39   17   25 o   11.060   1.2920   10.770   1.9840   11.350   1.6560 -0.5805000 2.584000 
1 1 1  -39   17   26 o   4.2970   1.2490   4.3830   1.7740   4.2110   1.7590 0.1720000 2.498000 
1 1 1  -39   17   27 o   5.6950   1.2470   6.8550   1.7290   4.5350   1.7970 2.320000 2.493000 
1 1 1  -39   17   28 o   3.1640   1.0470   2.9230   1.4000   3.4040   1.5560 -0.4814000 2.093000 
1 1 1  -39   17   29 o   3.0910   1.0330   3.2560   1.5110   2.9260   1.4080 0.3296000 2.066000 
1 1 1  -39   17   30 o   5.4510   1.3840   5.1540   1.9320   5.7480   1.9820 -0.5935000 2.767000 
1 1 1  -39   19    1 o   18.950   0.4091   19.320   0.5530   18.570   0.6030 0.7503000 0.8182000 
1 1 1  -39   19    2 o   20.160   0.3764   20.000   0.5308   20.330   0.5339 -0.3303000 0.7528000 
1 1 1  -39   19    3 o   4.3990   1.1500   4.5830   1.6380   4.2150   1.6130 0.3683000 2.299000 
1 1 1  -39   19    4 o   12.490   0.5574   12.100   0.8097   12.880   0.7661 -0.7758000 1.115000 
1 1 1  -39   19    5 o   11.760   0.6168   11.520   0.8445   12.000   0.8994 -0.4859000 1.234000 
1 1 1  -39   19    6 o   12.190   0.5988   12.690   0.7678   11.680   0.9190 1.004000 1.198000 
1 1 1  -39   19    7 o   9.5800   0.7567   9.2290   1.0600   9.9310   1.0800 -0.7021000 1.513000 
1 1 1  -39   19    8 o   27.340   0.3362   27.010   0.4618   27.680   0.4886 -0.6713000 0.6723000 
1 1 1  -39   19    9 f   13.350   0.5554   13.120   0.7559   13.590   0.8138 -0.4725000 1.111000 
1 1 1  -39   19   10 o   14.610   0.5178   14.330   0.7048   14.890   0.7589 -0.5544000 1.036000 
1 1 1  -39   19   11 f   18.910   0.4213   19.820   0.5448   18.000   0.6429 1.817000 0.8426000 
1 1 1  -39   19   12 o   20.750   0.3946   21.380   0.5189   20.110   0.5947 1.276000 0.7893000 
1 1 1  -39   19   13 o   14.020   0.5411   14.110   0.7266   13.940   0.8020 0.1690000 1.082000 
1 1 1  -39   19   14 f   13.090   0.5898   12.510   0.8320   13.670   0.8361 -1.163000 1.180000 
1 1 1  -39   19   15 f   28.510   0.3448   28.870   0.4728   28.140   0.5020 0.7315000 0.6896000 
1 1 1  -39   19   16 o   16.430   0.4842   15.910   0.6679   16.950   0.7012 -1.046000 0.9684000 
1 1 1  -39   19   17 o   3.9890   1.2610   4.1500   1.7070   3.8280   1.8550 0.3228000 2.521000 
1 1 1  -39   19   18 o   14.170   0.9656   14.280   0.8728   14.060   1.7230 0.2178000 1.931000 
1 1 1  -39   19   19 f   4.9170   1.3690   4.3850   1.7160   5.4480   2.1330 -1.063000 2.737000 
1 1 1  -39   19   20 o   6.1200   1.3480   6.9080   1.6370   5.3330   2.1410 1.574000 2.695000 
1 1 1  -39   19   21 o   7.9130   1.3220   7.8970   1.4960   7.9290   2.1800 -0.3196000E-01 2.644000 
1 1 1  -39   19   22 o   7.2660   1.3250   8.0480   1.7130   6.4830   2.0220 1.565000 2.650000 
1 1 1  -39   19   23 o   10.480   1.3580   9.5520   2.1670   11.420   1.6370 -1.863000 2.716000 
1 1 1  -39   19   24 f   4.1180   1.2780   3.7620   1.7220   4.4730   1.8890 -0.7104000 2.556000 
1 1 1  -39   19   25 o   11.110   0.8004   9.9820   1.2150   12.230   1.0420 -2.251000 1.601000 
1 1 1  -39   19   26 o   5.7860   1.2200   7.3080   1.6890   4.2630   1.7620 3.044000 2.441000 
1 1 1  -39   19   27 o   5.6460   1.2290   4.3080   1.7660   6.9850   1.7100 -2.677000 2.458000 
1 1 1  -39   19   28 o   3.2320   1.0840   3.0260   1.4650   3.4380   1.5990 -0.4123000 2.168000 
1 1 1  -39   19   29 o   3.2080   1.0850   4.0050   1.7990   2.4100   1.2120 1.595000 2.169000 
1 1 1  -39   21    1 o   11.350   0.6796   10.640   0.9794   12.070   0.9425 -1.429000 1.359000 
1 1 1  -39   21    2 o   14.270   0.5322   14.170   0.7439   14.370   0.7612 -0.2018000 1.064000 
1 1 1  -39   21    3 o   9.5930   0.7786   8.9370   1.1440   10.250   1.0570 -1.312000 1.557000 
1 1 1  -39   21    4 o   12.190   0.6113   11.240   0.9170   13.150   0.8085 -1.905000 1.223000 
1 1 1  -39   21    5 o   20.800   0.4095   20.480   0.5551   21.120   0.6023 -0.6437000 0.8191000 
1 1 1  -39   21    6 o   30.650   0.3370   29.940   0.4649   31.360   0.4881 -1.417000 0.6741000 
1 1 1  -39   21    7 o   5.3580   1.2230   5.6150   1.6700   5.1010   1.7870 0.5138000 2.446000 
1 1 1  -39   21    8 o   20.120   0.4188   19.730   0.5727   20.500   0.6112 -0.7712000 0.8376000 
1 1 1  -39   21    9 o   11.430   0.6781   11.540   0.8914   11.330   1.0220 0.2107000 1.356000 
1 1 1  -39   21   10 o   32.750   0.3405   32.760   0.4667   32.740   0.4960 0.1212000E-01 0.6811000 
1 1 1  -39   21   11 o   16.220   0.5016   16.700   0.6613   15.750   0.7544 0.9446000 1.003000 
1 1 1  -39   21   12 o   11.250   0.6958   11.040   0.9725   11.460   0.9955 -0.4270000 1.392000 
1 1 1  -39   21   13 o   5.7050   1.2280   6.0980   1.6720   5.3130   1.7990 0.7853000 2.456000 
1 1 1  -39   21   14 o  10.0000   0.9469   10.980   1.1100   9.0220   1.5350 1.963000 1.894000 
1 1 1  -39   21   15 o   17.300   0.5611   16.990   0.7531   17.610   0.8319 -0.6161000 1.122000 
1 1 1  -39   21   16 o   10.280   0.8770   11.780   1.0580   8.7700   1.3990 3.014000 1.754000 
1 1 1  -39   21   17 o   5.6550   1.2510   5.4870   1.7360   5.8230   1.8010 -0.3355000 2.501000 
1 1 1  -39   21   18 o   9.8400   0.8803   10.900   1.0070   8.7760   1.4440 2.128000 1.761000 
1 1 1  -39   21   19 o   10.500   1.0070   10.350   1.4010   10.650   1.4490 -0.2940000 2.015000 
1 1 1  -39   21   20 o   3.4560   1.1540   3.4080   1.6100   3.5040   1.6530 -0.9654000E-01 2.307000 
1 1 1  -39   21   21 o   7.2200   1.3250   8.7720   1.4580   5.6680   2.2130 3.104000 2.650000 
1 1 1  -39   21   22 o   4.7270   1.4720   4.8500   1.9550   4.6050   2.2020 0.2459000 2.944000 
1 1 1  -39   21   23 o   7.4280   1.3560   8.1590   1.5810   6.6980   2.2040 1.461000 2.713000 
1 1 1  -39   21   24 o   6.3150   1.3560   7.3690   1.7110   5.2610   2.1030 2.108000 2.711000 
1 1 1  -39   21   25 o   2.5420   0.9055   2.2820   1.1470   2.8020   1.4020 -0.5203000 1.811000 
1 1 1  -39   21   26 o   4.1750   1.2680   4.1170   1.7770   4.2330   1.8100 -0.1160000 2.536000 
1 1 1  -39   21   27 o   2.6150   0.9179   2.6550   1.3140   2.5740   1.2820 0.8149000E-01 1.836000 
1 1 1  -39   23    1 o   12.740   0.7783   12.350   1.0720   13.120   1.1280 -0.7728000 1.557000 
1 1 1  -39   23    2 o   7.1590   1.2630   5.9190   1.9240   8.4000   1.6380 -2.481000 2.527000 
1 1 1  -39   23    3 o   21.970   0.4735   21.700   0.6765   22.250   0.6628 -0.5505000 0.9471000 
1 1 1  -39   23    4 o   16.000   0.5990   14.920   0.9045   17.070   0.7857 -2.152000 1.198000 
1 1 1  -39   23    5 o   10.460   0.9732   11.390   1.1680   9.5290   1.5570 1.859000 1.946000 
1 1 1  -39   23    6 o   9.1440   1.0710   9.0750   1.4400   9.2120   1.5850 -0.1371000 2.142000 
1 1 1  -39   23    7 o   15.080   0.6625   15.890   0.8455   14.270   1.0200 1.621000 1.325000 
1 1 1  -39   23    8 o   8.9320   1.1080   9.1740   1.4420   8.6900   1.6820 0.4845000 2.216000 
1 1 1  -39   23    9 o   5.1270   1.3390   4.3280   1.8010   5.9250   1.9830 -1.597000 2.679000 
1 1 1  -39   23   10 o   9.9580   1.0340   10.120   1.3660   9.7940   1.5520 0.3272000 2.067000 
1 1 1  -39   23   11 o   3.4030   1.1230   3.4610   1.5970   3.3450   1.5800 0.1162000 2.246000 
1 1 1  -39   23   12 o   3.7490   1.1640   4.2810   1.7910   3.2170   1.4880 1.064000 2.328000 
1 1 1  -39   23   13 o   7.2540   1.1580   7.7510   1.5160   6.7560   1.7510 0.9953000 2.316000 
1 1 1  -39   23   14 o   10.230   1.0150   10.950   1.2810   9.5170   1.5750 1.430000 2.030000 
1 1 1  -39   23   15 o   9.2910   1.1050   9.0060   1.5890   9.5760   1.5360 -0.5704000 2.210000 
1 1 1  -39   23   16 o   12.150   0.8582   12.770   1.1110   11.520   1.3080 1.245000 1.716000 
1 1 1  -39   23   17 o   3.2550   1.0640   2.5370   1.2500   3.9720   1.7220 -1.434000 2.128000 
1 1 1  -39   23   18 o   4.9270   1.2940   5.1710   1.8240   4.6840   1.8370 0.4863000 2.589000 
1 1 1  -39   23   19 o   6.9280   1.2910   4.8500   1.9380   9.0060   1.7050 -4.156000 2.581000 
1 1 1  -39   23   20 o   16.790   0.7282   18.030   1.0540   15.550   1.0050 2.482000 1.456000 
1 1 1  -39   23   21 o   12.870   0.7489   14.280   1.0220   11.470   1.0950 2.809000 1.498000 
1 1 1  -39   23   22 o   6.3990   1.2670   6.9100   1.7450   5.8890   1.8360 1.021000 2.533000 
1 1 1  -39   23   23 o   2.7440   0.9539   2.9020   1.4070   2.5870   1.2880 0.3148000 1.908000 
1 1 1  -39   23   24 o   3.2760   1.0830   3.7220   1.6650   2.8290   1.3860 0.8933000 2.166000 
1 1 1  -39   23   25 o   2.4710   0.8970   2.4550   1.2520   2.4870   1.2850 -0.3200000E-01 1.794000 
1 1 1  -39   25    1 o   14.830   0.6913   16.120   0.8744   13.540   1.0710 2.579000 1.383000 
1 1 1  -39   25    2 o   7.2160   1.2850   6.8950   1.8820   7.5380   1.7510 -0.6430000 2.571000 
1 1 1  -39   25    3 o   4.6600   1.3170   4.5930   1.8580   4.7270   1.8680 -0.1343000 2.635000 
1 1 1  -39   25    4 o   17.490   0.5597   17.510   0.8038   17.480   0.7789 0.3020000E-01 1.119000 
1 1 1  -39   25    5 o   6.6060   1.3410   7.4160   1.7950   5.7950   1.9940 1.621000 2.683000 
1 1 1  -39   25    6 f   8.5140   1.1700   8.0110   1.6990   9.0180   1.6080 -1.007000 2.340000 
1 1 1  -39   25    7 o   6.6620   1.3460   6.4670   1.8800   6.8570   1.9260 -0.3902000 2.692000 
1 1 1  -39   25    8 o   20.110   0.5207   20.520   0.7140   19.710   0.7581 0.8113000 1.041000 
1 1 1  -39   25    9 o   5.8500   1.3520   6.7650   1.9060   4.9340   1.9190 1.832000 2.704000 
1 1 1  -39   25   10 o   4.0870   1.2490   4.3810   1.8280   3.7940   1.7030 0.5872000 2.498000 
1 1 1  -39   25   11 f   8.9370   0.9672   9.3610   1.2720   8.5130   1.4580 0.8478000 1.934000 
1 1 1  -39   25   12 o   3.8470   1.1630   3.2840   1.5060   4.4090   1.7730 -1.125000 2.326000 
1 1 1  -39   25   13 o   4.2450   1.1960   4.9730   1.7870   3.5180   1.5910 1.456000 2.392000 
1 1 1  -39   25   14 o   10.220   0.8595   9.7150   1.2450   10.720   1.1860 -1.003000 1.719000 
1 1 1  -39   25   15 o   12.130   0.7195   12.520   0.9596   11.740   1.0720 0.7737000 1.439000 
1 1 1  -39   25   16 f   11.760   1.0580   13.430   1.0610   10.100   1.8290 3.337000 2.115000 
1 1 1  -39   25   17 o   5.0100   1.3840   5.1740   1.9550   4.8450   1.9600 0.3288000 2.769000 
1 1 1  -39   25   18 o   3.4380   1.1290   3.7330   1.6970   3.1430   1.4910 0.5898000 2.259000 
1 1 1  -39   25   19 o   2.7430   0.9473   2.8250   1.3690   2.6610   1.3100 0.1646000 1.895000 
1 1 1  -39   25   20 o   3.2650   1.0900   3.5110   1.6170   3.0200   1.4610 0.4908000 2.180000 
1 1 1  -39   25   21 o   3.2000   1.0700   3.3020   1.5480   3.0990   1.4780 0.2022000 2.140000 
1 1 1  -39   25   22 o   3.4190   1.0900   3.2170   1.4820   3.6200   1.5990 -0.4026000 2.180000 
1 1 1  -39   27    1 o   3.4570   1.1420   3.2990   1.5270   3.6160   1.7000 -0.3167000 2.285000 
1 1 1  -39   27    2 f   5.5440   1.2820   4.3810   1.7650   6.7080   1.8580 -2.327000 2.563000 
1 1 1  -39   27    3 o   10.070   0.9152   10.780   1.1450   9.3630   1.4280 1.418000 1.830000 
1 1 1  -39   27    4 o   10.390   0.8933   8.6230   1.4240   12.160   1.0790 -3.540000 1.787000 
1 1 1  -39   27    5 o   8.5510   1.0690   9.0000   1.3520   8.1010   1.6560 0.8984000 2.138000 
1 1 1  -39   27    6 o   9.0010   1.0550   10.710   1.1260   7.2950   1.7840 3.411000 2.110000 
1 1 1  -39   27    7 o   3.7230   1.1660   3.8030   1.6540   3.6430   1.6420 0.1597000 2.331000 
1 1 1  -39   27    8 o   7.4800   1.1760   6.9750   1.7050   7.9860   1.6190 -1.011000 2.351000 
1 1 1  -39   27    9 o   4.0920   1.2140   3.8800   1.6600   4.3030   1.7720 -0.4230000 2.428000 
1 1 1  -39   27   10 o   3.8490   1.1760   4.4960   1.7750   3.2020   1.5420 1.294000 2.351000 
1 1 1  -39   27   11 f   7.8320   1.2740   6.5790   1.9360   9.0840   1.6560 -2.505000 2.548000 
1 1 1  -39   27   12 o   4.2010   1.2330   5.3710   1.9790   3.0300   1.4730 2.341000 2.467000 
1 1 1  -39   27   13 o   4.2370   1.2150   2.7530   1.3640   5.7210   2.0110 -2.968000 2.429000 
1 1 1  -39   27   14 o   3.1480   1.0530   3.9210   1.7370   2.3750   1.1900 1.546000 2.105000 
1 1 1  -39   27   15 f   10.650   0.9350   11.680   1.1800   9.6100   1.4500 2.074000 1.870000 
1 1 1  -39   27   16 o   6.1530   1.2730   7.6450   1.7430   4.6610   1.8560 2.984000 2.546000 
1 1 1  -39   27   17 o   4.8240   1.2830   5.7900   1.9160   3.8570   1.7060 1.932000 2.565000 
1 1 1  -39   27   18 o   2.2490   0.7993   2.0730   1.0510   2.4250   1.2050 -0.3518000 1.599000 
1 1 1  -39   27   19 o   2.2170   0.8081   2.3440   1.2080   2.0890   1.0730 0.2549000 1.616000 
1 1 1  -39   29    1 o   5.0780   1.3130   6.2570   1.9600   3.8980   1.7470 2.359000 2.626000 
1 1 1  -39   29    2 o   3.9970   1.2280   3.2860   1.5500   4.7080   1.9040 -1.423000 2.455000 
1 1 1  -39   29    3 o   3.0580   1.0410   3.4680   1.6100   2.6480   1.3190 0.8199000 2.082000 
1 1 1  -39   29    4 o   3.4480   1.1530   3.5690   1.6370   3.3260   1.6250 0.2429000 2.306000 
1 1 1  -39   29    5 o   2.9660   1.0190   2.8450   1.3920   3.0880   1.4880 -0.2430000 2.038000 
1 1 1  -39   29    6 o   3.1070   1.0480   3.6140   1.6470   2.5990   1.2970 1.015000 2.096000 
1 1 1  -39   29    7 o   3.1890   1.0730   3.0130   1.4550   3.3650   1.5790 -0.3515000 2.147000 
1 1 1  -39   29    8 o   3.6070   1.1530   4.0690   1.7510   3.1450   1.5010 0.9235000 2.307000 
1 1 1  -39   29    9 o   2.6860   0.9374   2.7220   1.3400   2.6500   1.3110 0.7244000E-01 1.875000 
1 1 1  -39   29   10 o   5.0160   1.2020   6.8080   1.8600   3.2250   1.5250 3.583000 2.405000 
1 1 1  -39   29   11 f   4.0400   1.1950   4.2760   1.7330   3.8040   1.6460 0.4718000 2.390000 
1 1 1  -39   29   12 f   2.9340   0.9748   3.7150   1.6180   2.1520   1.0880 1.562000 1.950000 
1 1 1  -39   29   13 o   2.8700   0.9695   2.5630   1.2590   3.1770   1.4740 -0.6141000 1.939000 
1 1 1  -39   29   14 o   2.1480   0.7675   2.3010   1.1520   1.9950   1.0150 0.3052000 1.535000 
1 1 1  -38    0    1 o   70.340   0.9032   70.340   0.9032   70.340   0.9032 0.000000 0.000000 
1 1 1  -38    0    2 o   86.040   0.7722   86.040   0.7722   86.040   0.7722 -0.000000 0.000000 
1 1 1  -38    0    3 o   13.750   0.7173   13.750   0.7173   13.750   0.7173 0.000000 0.000000 
1 1 1  -38    0    4 o   15.610   0.6505   15.610   0.6505   15.610   0.6505 -0.000000 0.000000 
1 1 1  -38    0    5 o   7.0510   1.4650   7.0510   1.4650   7.0510   1.4650 -0.000000 0.000000 
1 1 1  -38    0    6 o   12.690   0.5624   12.690   0.5624   12.690   0.5624 -0.000000 0.000000 
1 1 1  -38    0    7 o   51.760   0.4812   51.760   0.4812   51.760   0.4812 0.000000 0.000000 
1 1 1  -38    0    8 o   24.790   0.4069   24.790   0.4069   24.790   0.4069 0.000000 0.000000 
1 1 1  -38    0    9 o  110.800   0.9910  110.800   0.9910  110.800   0.9910 -0.000000 0.000000 
1 1 1  -38    0   10 o   82.540   0.7439   82.540   0.7439   82.540   0.7439 0.000000 0.000000 
1 1 1  -38    0   11 o   41.980   0.4835   41.980   0.4835   41.980   0.4835 0.000000 0.000000 
1 1 1  -38    0   12 o   32.620   0.4395   32.620   0.4395   32.620   0.4395 -0.000000 0.000000 
1 1 1  -38    0   13 o   12.070   0.8644   12.070   0.8644   12.070   0.8644 -0.000000 0.000000 
1 1 1  -38    0   14 o   9.9160   0.8072   9.9160   0.8072   9.9160   0.8072 -0.000000 0.000000 
1 1 1  -38    0   15 o   19.210   0.4569   19.210   0.4569   19.210   0.4569 0.000000 0.000000 
1 1 1  -38    0   16 o   32.590   0.3984   32.590   0.3984   32.590   0.3984 0.000000 0.000000 
1 1 1  -38    0   17 o   48.630   0.5602   48.630   0.5602   48.630   0.5602 -0.000000 0.000000 
1 1 1  -38    0   18 o   83.950   0.7648   83.950   0.7648   83.950   0.7648 -0.000000 0.000000 
1 1 1  -38    0   19 o   14.680   0.5680   14.680   0.5680   14.680   0.5680 -0.000000 0.000000 
1 1 1  -38    0   20 o   8.4780   0.9454   8.4780   0.9454   8.4780   0.9454 0.000000 0.000000 
1 1 1  -38    0   21 o   13.710   0.5960   13.710   0.5960   13.710   0.5960 0.000000 0.000000 
1 1 1  -38    0   22 o   3.2430   1.9270   3.2430   1.9270   3.2430   1.9270 -0.000000 0.000000 
1 1 1  -38    0   23 o   3.2460   1.9660   3.2460   1.9660   3.2460   1.9660 -0.000000 0.000000 
1 1 1  -38    0   24 o   3.7690   2.1030   3.7690   2.1030   3.7690   2.1030 -0.000000 0.000000 
1 1 1  -38    0   25 o   3.7890   2.1110   3.7890   2.1110   3.7890   2.1110 0.000000 0.000000 
1 1 1  -38    0   26 o   4.9840   2.2800   4.9840   2.2800   4.9840   2.2800 -0.000000 0.000000 
1 1 1  -38    0   27 o   3.9240   2.2340   3.9240   2.2340   3.9240   2.2340 0.000000 0.000000 
1 1 1  -38    0   28 o   26.400   0.4522   26.400   0.4522   26.400   0.4522 0.000000 0.000000 
1 1 1  -38    0   29 o   8.6380   1.1970   8.6380   1.1970   8.6380   1.1970 0.000000 0.000000 
1 1 1  -38    0   30 o   5.3720   2.0090   5.3720   2.0090   5.3720   2.0090 -0.000000 0.000000 
1 1 1  -38    0   31 o   3.2030   1.8990   3.2030   1.8990   3.2030   1.8990 0.000000 0.000000 
1 1 1  -38    0   32 o   6.9510   1.8540   6.9510   1.8540   6.9510   1.8540 0.000000 0.000000 
1 1 1  -38    0   33 o   2.1880   1.5150   2.1880   1.5150   2.1880   1.5150 0.000000 0.000000 
1 1 1  -38    0   34 o   15.140   0.8318   15.140   0.8318   15.140   0.8318 -0.000000 0.000000 
1 1 1  -38    0   35 o   6.6070   2.5280   6.6070   2.5280   6.6070   2.5280 0.000000 0.000000 
1 1 1  -38    0   36 o   4.6310   2.2010   4.6310   2.2010   4.6310   2.2010 -0.000000 0.000000 
1 1 1  -38    2    1 f   83.350   0.6144   83.230   0.8674   83.460   0.8703 -0.2299000 1.229000 
1 1 1  -38    2    2 o   47.400   0.4587   40.400   0.5742   54.400   0.7155 -14.00000 0.9174000 
1 1 1  -38    2    3 o  118.000   0.8057  117.300   1.2130  118.700   1.0610 -1.377000 1.611000 
1 1 1  -38    2    4 o   32.090   0.2650   31.690   0.3925   32.490   0.3560 -0.8089000 0.5300000 
1 1 1  -38    2    5 o  107.800   0.6827  107.600   0.9639  108.100   0.9671 -0.4529000 1.365000 
1 1 1  -38    2    6 o   87.290   0.5993   87.240   0.9063   87.350   0.7843 -0.1066000 1.199000 
1 1 1  -38    2    7 o   58.940   0.3829   58.900   0.5417   58.970   0.5414 -0.6499000E-01 0.7658000 
1 1 1  -38    2    8 o   40.860   0.3377   41.150   0.4834   40.570   0.4717 0.5744000 0.6754000 
1 1 1  -38    2    9 o   14.460   0.4187   15.350   0.5797   13.570   0.6042 1.775000 0.8373000 
1 1 1  -38    2   10 o   13.030   0.3932   12.800   0.5450   13.250   0.5669 -0.4486000 0.7864000 
1 1 1  -38    2   11 o   15.150   0.3813   14.890   0.5485   15.410   0.5297 -0.5244000 0.7625000 
1 1 1  -38    2   12 o   33.370   0.3091   33.430   0.4389   33.320   0.4355 0.1182000 0.6183000 
1 1 1  -38    2   13 o   35.810   0.2824   36.020   0.4021   35.590   0.3966 0.4230000 0.5648000 
1 1 1  -38    2   14 o   17.540   0.4070   17.420   0.5927   17.670   0.5579 -0.2507000 0.8139000 
1 1 1  -38    2   15 o   16.420   0.3695   16.240   0.5253   16.600   0.5199 -0.3555000 0.7391000 
1 1 1  -38    2   16 o   19.370   0.3333   19.990   0.4612   18.750   0.4812 1.237000 0.6665000 
1 1 1  -38    2   17 o   15.550   0.3962   16.140   0.5441   14.970   0.5761 1.178000 0.7924000 
1 1 1  -38    2   18 o   7.4090   0.8992   8.3150   0.9926   6.5030   1.5000 1.813000 1.798000 
1 1 1  -38    2   19 o   43.240   0.3919   43.380   0.4539   43.090   0.6391 0.2837000 0.7838000 
1 1 1  -38    2   20 o   29.520   0.3517   29.570   0.4020   29.470   0.5771 0.9487000E-01 0.7033000 
1 1 1  -38    2   21 o   22.470   0.4866   23.270   0.5094   21.670   0.8293 1.597000 0.9733000 
1 1 1  -38    2   22 o   24.420   0.4769   24.180   0.5026   24.670   0.8105 -0.4910000 0.9537000 
1 1 1  -38    2   23 o   4.6800   1.1290   4.4350   1.5520   4.9250   1.6410 -0.4898000 2.259000 
1 1 1  -38    2   24 o   25.620   0.2972   25.180   0.4220   26.060   0.4187 -0.8796000 0.5944000 
1 1 1  -38    2   25 o   4.5180   1.0220   5.5390   1.4430   3.4980   1.4480 2.041000 2.044000 
1 1 1  -38    2   26 o   7.1460   1.0170   8.4920   1.1520   5.7990   1.6750 2.693000 2.033000 
1 1 1  -38    2   27 f   12.000   1.2370   11.710   2.1960   12.300   1.1400 -0.5891000 2.475000 
1 1 1  -38    2   28 o   22.240   0.7227   21.540   1.3290   22.940   0.5681 -1.403000 1.445000 
1 1 1  -38    2   29 o   3.9310   1.1960   4.1810   1.8140   3.6820   1.5590 0.4991000 2.391000 
1 1 1  -38    2   30 o   13.870   0.6093   13.730   0.9305   14.000   0.7868 -0.2653000 1.219000 
1 1 1  -38    2   31 o   11.080   0.7273   11.190   1.0200   10.980   1.0370 0.2147000 1.455000 
1 1 1  -38    2   32 o   3.3850   1.0840   3.0140   1.4190   3.7570   1.6380 -0.7434000 2.167000 
1 1 1  -38    2   33 o   3.2470   1.0630   3.2780   1.5080   3.2150   1.4980 0.6354000E-01 2.126000 
1 1 1  -38    2   34 o   5.1050   1.2490   3.5340   1.6200   6.6760   1.9010 -3.141000 2.498000 
1 1 1  -38    2   35 o   18.640   0.6723   19.950   0.7391   17.330   1.1230 2.624000 1.345000 
1 1 1  -38    2   36 o   3.0420   1.0110   2.6210   1.2830   3.4640   1.5620 -0.8425000 2.022000 
1 1 1  -38    4    1 o   51.770   0.3958   51.690   0.5588   51.840   0.5605 -0.1542000 0.7915000 
1 1 1  -38    4    2 f   7.4530   0.7436   2.8200   1.4100   12.090   0.4728 -9.265000 1.487000 
1 1 1  -38    4    3 o   13.050   1.4910  ?   ?    13.050   1.4910      ?      ? 
1 1 1  -38    4    4 o   16.600   0.7956   14.770   1.1480   18.440   1.1020 -3.663000 1.591000 
1 1 1  -38    4    5 o   33.110   0.5893   32.310   0.8114   33.910   0.8549 -1.606000 1.179000 
1 1 1  -38    4    6 o   98.580   1.2660   98.620   1.7910   98.530   1.7910 0.8961000E-01 2.533000 
1 1 1  -38    4    7 o   36.820   0.5848   36.410   0.8201   37.230   0.8338 -0.8228000 1.170000 
1 1 1  -38    4    8 o   55.260   0.4176   55.090   0.5901   55.440   0.5911 -0.3580000 0.8353000 
1 1 1  -38    4    9 o   69.680   0.5790   70.660   0.7431   68.710   0.8881 1.958000 1.158000 
1 1 1  -38    4   10 o   50.310   0.3967   50.590   0.5643   50.030   0.5578 0.5509000 0.7935000 
1 1 1  -38    4   11 o   20.030   0.2972   20.070   0.4149   19.980   0.4255 0.9030000E-01 0.5943000 
1 1 1  -38    4   12 o   27.790   0.2738   27.860   0.3897   27.720   0.3848 0.1342000 0.5477000 
1 1 1  -38    4   13 o   52.340   0.3869   52.160   0.5036   52.520   0.5874 -0.3565000 0.7737000 
1 1 1  -38    4   14 o   39.930   0.4008   39.720   0.5100   40.140   0.6186 -0.4208000 0.8017000 
1 1 1  -38    4   15 o   26.770   0.3955   26.740   0.5065   26.800   0.6075 -0.6297000E-01 0.7910000 
1 1 1  -38    4   16 o   24.380   0.3751   24.420   0.4218   24.340   0.6205 0.7357000E-01 0.7503000 
1 1 1  -38    4   17 o   26.780   0.3652   27.010   0.4168   26.550   0.5997 0.4675000 0.7303000 
1 1 1  -38    4   18 o   6.1960   1.1260   6.3850   1.3290   6.0060   1.8190 0.3789000 2.252000 
1 1 1  -38    4   19 o   36.050   0.2977   35.950   0.4235   36.140   0.4185 -0.1932000 0.5954000 
1 1 1  -38    4   20 o   34.530   0.3392   34.670   0.4852   34.390   0.4741 0.2869000 0.6784000 
1 1 1  -38    4   21 o   16.060   0.4153   16.330   0.5364   15.780   0.6340 0.5453000 0.8305000 
1 1 1  -38    4   22 o   24.390   0.3004   24.140   0.4252   24.630   0.4245 -0.4951000 0.6008000 
1 1 1  -38    4   23 o   24.370   0.3406   24.880   0.4615   23.860   0.5010 1.023000 0.6812000 
1 1 1  -38    4   24 o   2.2410   0.7740   2.2560   1.0960   2.2250   1.0930 0.3152000E-01 1.548000 
1 1 1  -38    4   25 o   22.440   0.3739   22.510   0.5086   22.360   0.5483 0.1556000 0.7479000 
1 1 1  -38    4   26 o   5.4820   1.1650   4.5420   1.6260   6.4220   1.6680 -1.880000 2.330000 
1 1 1  -38    4   27 o   26.970   0.3189   26.690   0.4497   27.250   0.4524 -0.5567000 0.6379000 
1 1 1  -38    4   28 o   25.740   0.3928   25.950   0.5646   25.540   0.5463 0.4106000 0.7856000 
1 1 1  -38    4   29 o   13.410   0.5452   13.110   0.7760   13.710   0.7660 -0.5918000 1.090000 
1 1 1  -38    4   30 o   6.6400   1.3280   7.1410   2.0550   6.1380   1.6830 1.002000 2.657000 
1 1 1  -38    4   31 o   8.8080   1.1730   8.3560   1.9660   9.2600   1.2800 -0.9041000 2.347000 
1 1 1  -38    4   32 o   5.4830   1.2620   4.2100   1.8800   6.7550   1.6850 -2.545000 2.524000 
1 1 1  -38    4   33 o   3.6700   1.1660   3.8000   1.7060   3.5400   1.5900 0.2599000 2.332000 
1 1 1  -38    4   34 o   12.700   0.7782   12.920   1.0690   12.480   1.1320 0.4427000 1.556000 
1 1 1  -38    4   35 o   17.490   0.5755   16.750   0.8429   18.230   0.7838 -1.484000 1.151000 
1 1 1  -38    6    1 o   25.940   0.2567   26.760   0.3570   25.110   0.3690 1.659000 0.5134000 
1 1 1  -38    6    2 o   14.170   0.7456   14.040   1.0270   14.300   1.0810 -0.2622000 1.491000 
1 1 1  -38    6    3 o   19.500   0.5547   19.270   0.7765   19.720   0.7924 -0.4472000 1.109000 
1 1 1  -38    6    4 o   16.930   0.6114   16.470   0.8880   17.390   0.8407 -0.9122000 1.223000 
1 1 1  -38    6    5 o   50.960   0.5065   51.200   0.7194   50.710   0.7132 0.4909000 1.013000 
1 1 1  -38    6    6 o   42.730   0.6521   42.730   0.6521  ?   ?       ?      ? 
1 1 1  -38    6    7 o   41.990   0.6470  ?   ?    41.990   0.6470      ?      ? 
1 1 1  -38    6    8 o   31.640   0.3775   31.560   0.4390   31.710   0.6142 -0.1471000 0.7550000 
1 1 1  -38    6    9 o   55.580   0.4896   55.340   0.6086   55.820   0.7671 -0.4723000 0.9792000 
1 1 1  -38    6   10 o   44.750   0.4257   45.270   0.5286   44.230   0.6675 1.040000 0.8514000 
1 1 1  -38    6   11 o   20.550   0.4274   20.650   0.4390   20.450   0.7334 0.1950000 0.8548000 
1 1 1  -38    6   12 o   21.280   0.4135   21.120   0.4404   21.440   0.6999 -0.3185000 0.8269000 
1 1 1  -38    6   13 o   29.640   0.3151   29.530   0.4077   29.750   0.4807 -0.2182000 0.6303000 
1 1 1  -38    6   14 o   31.250   0.2921   30.830   0.4109   31.670   0.4152 -0.8398000 0.5842000 
1 1 1  -38    6   15 o   26.650   0.3630   26.960   0.5205   26.350   0.5062 0.6113000 0.7260000 
1 1 1  -38    6   16 o   17.740   0.3629   18.370   0.4898   17.120   0.5355 1.249000 0.7257000 
1 1 1  -38    6   17 o   36.600   0.3000   36.490   0.4252   36.720   0.4235 -0.2326000 0.6001000 
1 1 1  -38    6   18 f   57.710   0.4238   57.520   0.6409   57.910   0.5546 -0.3898000 0.8475000 
1 1 1  -38    6   19 o   20.390   0.3827   20.670   0.5271   20.100   0.5550 0.5728000 0.7654000 
1 1 1  -38    6   20 o   43.340   0.3216   43.170   0.4552   43.520   0.4545 -0.3512000 0.6432000 
1 1 1  -38    6   21 o   24.180   0.3026   24.150   0.4224   24.210   0.4334 -0.5795000E-01 0.6052000 
1 1 1  -38    6   22 o   4.9370   1.0550   4.9380   1.4670   4.9360   1.5160 0.2111000E-02 2.110000 
1 1 1  -38    6   23 o   7.0120   0.9294   6.8900   1.2530   7.1330   1.3730 -0.2437000 1.859000 
1 1 1  -38    6   24 o   10.400   0.6688   9.2170   0.9914   11.590   0.8981 -2.375000 1.338000 
1 1 1  -38    6   25 o   21.780   0.3792   22.120   0.5144   21.450   0.5572 0.6741000 0.7583000 
1 1 1  -38    6   26 f   12.250   0.5255   12.550   0.7023   11.940   0.7819 0.6050000 1.051000 
1 1 1  -38    6   27 o   25.220   0.3273   25.400   0.4497   25.040   0.4756 0.3625000 0.6546000 
1 1 1  -38    6   28 o   15.780   0.5341   15.990   0.7398   15.570   0.7705 0.4187000 1.068000 
1 1 1  -38    6   29 o   10.870   0.6698   11.410   0.8773   10.330   1.0120 1.085000 1.340000 
1 1 1  -38    6   30 o   2.7280   0.9260   2.7860   1.3240   2.6700   1.2950 0.1157000 1.852000 
1 1 1  -38    6   31 o   4.6510   1.2360   4.6740   1.7340   4.6290   1.7630 0.4488000E-01 2.473000 
1 1 1  -38    6   32 o   7.9360   1.0660   7.7060   1.5130   8.1660   1.5020 -0.4593000 2.132000 
1 1 1  -38    6   33 o   9.6390   1.1710   9.0080   1.8950   10.270   1.3770 -1.264000 2.342000 
1 1 1  -38    6   34 o   17.070   0.6408   16.520   1.0620   17.620   0.7173 -1.104000 1.282000 
1 1 1  -38    6   35 o   2.1800   0.7914   2.2420   1.1580   2.1180   1.0790 0.1236000 1.583000 
1 1 1  -38    8    1 f   55.900   0.5060   56.990   0.6342   54.810   0.7886 2.190000 1.012000 
1 1 1  -38    8    2 o   12.160   0.8819   13.120   0.7591   11.200   1.5920 1.925000 1.764000 
1 1 1  -38    8    3 o   31.430   0.4689   32.140   0.6516   30.720   0.6745 1.414000 0.9378000 
1 1 1  -38    8    4 o   21.210   0.5605   21.310   0.7792   21.100   0.8058 0.2111000 1.121000 
1 1 1  -38    8    5 o   59.360   0.5738   59.680   0.8123   59.040   0.8106 0.6395000 1.148000 
1 1 1  -38    8    6 f   30.800   0.4668   31.030   0.6511   30.580   0.6690 0.4510000 0.9335000 
1 1 1  -38    8    7 o   52.080   0.4317   54.040   0.5136   50.130   0.6940 3.908000 0.8633000 
1 1 1  -38    8    8 o   11.880   0.4208   11.540   0.5330   12.210   0.6514 -0.6725000 0.8416000 
1 1 1  -38    8    9 o   18.130   0.3817   17.990   0.4985   18.280   0.5781 -0.2812000 0.7633000 
1 1 1  -38    8   10 o   63.630   0.4554   63.530   0.6872   63.730   0.5977 -0.1961000 0.9107000 
1 1 1  -38    8   11 f   23.440   0.3141   23.840   0.4298   23.040   0.4581 0.7983000 0.6282000 
1 1 1  -38    8   12 o   18.010   0.3703   18.020   0.5015   18.000   0.5450 0.1111000E-01 0.7407000 
1 1 1  -38    8   13 o   49.550   0.3517   49.730   0.4978   49.370   0.4969 0.3529000 0.7034000 
1 1 1  -38    8   14 o   18.480   0.4828   18.670   0.6886   18.280   0.6770 0.3826000 0.9657000 
1 1 1  -38    8   15 o   14.700   0.5920   15.560   0.8148   13.840   0.8592 1.716000 1.184000 
1 1 1  -38    8   16 o   35.980   0.3552   35.740   0.5010   36.220   0.5038 -0.4772000 0.7105000 
1 1 1  -38    8   17 o   16.910   0.4573   16.400   0.6464   17.420   0.6471 -1.019000 0.9146000 
1 1 1  -38    8   18 o   49.870   0.3537   50.020   0.5017   49.730   0.4987 0.2845000 0.7074000 
1 1 1  -38    8   19 f   15.380   0.4080   15.070   0.5722   15.700   0.5816 -0.6360000 0.8159000 
1 1 1  -38    8   20 o   9.4620   0.6399   9.7620   0.8474   9.1620   0.9591 0.5998000 1.280000 
1 1 1  -38    8   21 o   32.520   0.2969   32.370   0.4191   32.670   0.4206 -0.2955000 0.5937000 
1 1 1  -38    8   22 o   15.760   0.4012   16.130   0.5353   15.400   0.5978 0.7293000 0.8024000 
1 1 1  -38    8   23 o   10.050   0.8062   10.210   0.9447   9.8920   1.3070 0.3210000 1.612000 
1 1 1  -38    8   24 f   31.580   0.3064   31.110   0.4311   32.050   0.4354 -0.9337000 0.6127000 
1 1 1  -38    8   25 o   22.520   0.3342   23.030   0.4610   22.000   0.4839 1.034000 0.6683000 
1 1 1  -38    8   26 o   36.260   0.3196   36.260   0.4502   36.250   0.4536 0.1140000E-01 0.6391000 
1 1 1  -38    8   27 o   16.720   0.4393   17.010   0.5839   16.430   0.6566 0.5865000 0.8787000 
1 1 1  -38    8   28 o   3.3830   1.0890   3.8770   1.6760   2.8890   1.3910 0.9880000 2.178000 
1 1 1  -38    8   29 o   12.160   0.6311   13.050   0.8109   11.260   0.9674 1.789000 1.262000 
1 1 1  -38    8   30 o   3.3400   1.0690   3.0140   1.4080   3.6670   1.6080 -0.6523000 2.137000 
1 1 1  -38    8   31 o   3.4250   1.0960   3.2830   1.5010   3.5670   1.5980 -0.2842000 2.192000 
1 1 1  -38    8   32 o   4.9020   1.3600   4.6770   1.9000   5.1270   1.9460 -0.4495000 2.719000 
1 1 1  -38    8   33 o   7.5820   1.1320   7.7280   1.5470   7.4360   1.6520 0.2913000 2.263000 
1 1 1  -38    8   34 o   4.1690   1.1840   4.9240   1.7890   3.4140   1.5510 1.510000 2.368000 
1 1 1  -38    8   35 o   2.2190   0.8011   2.1460   1.0930   2.2920   1.1720 -0.1465000 1.602000 
1 1 1  -38   10    1 o   21.370   0.3646   21.250   0.4446   21.500   0.5779 -0.2501000 0.7292000 
1 1 1  -38   10    2 o   29.960   0.4460   29.800   0.5127   30.130   0.7300 -0.3358000 0.8920000 
1 1 1  -38   10    3 o   32.550   0.4449   31.550   0.5024   33.550   0.7343 -2.004000 0.8898000 
1 1 1  -38   10    4 o   9.6530   0.8343   9.0440   1.1520   10.260   1.2070 -1.218000 1.669000 
1 1 1  -38   10    5 o   8.6570   0.9176   8.1470   1.2470   9.1670   1.3460 -1.020000 1.835000 
1 1 1  -38   10    6 o   18.560   0.6052   20.080   0.6093   17.040   1.0460 3.040000 1.210000 
1 1 1  -38   10    7 o   48.240   0.4026   48.430   0.5644   48.050   0.5743 0.3778000 0.8052000 
1 1 1  -38   10    8 o   8.6520   0.9260   10.090   0.9629   7.2110   1.5820 2.883000 1.852000 
1 1 1  -38   10    9 o   7.4320   0.8760   6.4330   1.3030   8.4320   1.1710 -2.000000 1.752000 
1 1 1  -38   10   10 o   37.800   0.3373   38.060   0.5033   37.550   0.4493 0.5041000 0.6747000 
1 1 1  -38   10   11 o   18.560   0.3877   18.590   0.5190   18.540   0.5760 0.4798000E-01 0.7753000 
1 1 1  -38   10   12 f   17.290   0.4077   17.210   0.5497   17.360   0.6023 -0.1488000 0.8154000 
1 1 1  -38   10   13 o   16.890   0.6420   16.780   1.0280   17.010   0.7697 -0.2346000 1.284000 
1 1 1  -38   10   14 o   23.700   0.5206   24.100   0.7628   23.300   0.7088 0.7968000 1.041000 
1 1 1  -38   10   15 o   8.3980   0.9333   8.9520   1.1680   7.8440   1.4560 1.108000 1.867000 
1 1 1  -38   10   16 o   35.220   0.3264   35.660   0.4865   34.780   0.4353 0.8806000 0.6528000 
1 1 1  -38   10   17 f   21.150   0.3419   21.150   0.4765   21.150   0.4903 0.4034000E-02 0.6837000 
1 1 1  -38   10   18 o   7.4780   0.8872   8.9260   0.9581   6.0290   1.4930 2.896000 1.774000 
1 1 1  -38   10   19 o   12.490   0.5036   12.810   0.6716   12.160   0.7506 0.6494000 1.007000 
1 1 1  -38   10   20 o   11.670   0.5377   10.700   0.8012   12.640   0.7173 -1.939000 1.075000 
1 1 1  -38   10   21 o   22.130   0.3677   21.650   0.5107   22.620   0.5292 -0.9702000 0.7354000 
1 1 1  -38   10   22 o   8.0010   1.0040   8.7010   1.0850   7.3010   1.6900 1.400000 2.008000 
1 1 1  -38   10   23 o   10.120   0.6911   8.9980   1.0070   11.250   0.9474 -2.252000 1.382000 
1 1 1  -38   10   24 o   12.150   0.5389   11.210   0.7739   13.090   0.7502 -1.878000 1.078000 
1 1 1  -38   10   25 o   13.960   0.4882   14.700   0.6235   13.220   0.7514 1.487000 0.9764000 
1 1 1  -38   10   26 o   14.430   0.4967   14.060   0.6829   14.790   0.7214 -0.7290000 0.9934000 
1 1 1  -38   10   27 o   24.930   0.4241   24.890   0.5970   24.970   0.6026 -0.8630000E-01 0.8483000 
1 1 1  -38   10   28 o   8.7380   1.0660   7.4510   1.7020   10.020   1.2850 -2.574000 2.133000 
1 1 1  -38   10   29 o   3.4290   1.0860   3.1950   1.4660   3.6630   1.6030 -0.4676000 2.173000 
1 1 1  -38   10   30 o   3.1160   1.0300   2.7970   1.3390   3.4340   1.5660 -0.6374000 2.060000 
1 1 1  -38   10   31 o   4.0740   1.2300   4.9730   1.9290   3.1760   1.5260 1.796000 2.460000 
1 1 1  -38   10   32 o   5.8720   1.2760   5.1810   1.8190   6.5630   1.7890 -1.382000 2.551000 
1 1 1  -38   10   33 o   4.5700   1.2540   4.7150   1.7890   4.4250   1.7580 0.2903000 2.509000 
1 1 1  -38   10   34 o   6.5060   1.2150   6.9640   1.6580   6.0490   1.7750 0.9149000 2.429000 
1 1 1  -38   12    1 o   19.250   0.4147   18.970   0.5442   19.520   0.6258 -0.5432000 0.8293000 
1 1 1  -38   12    2 o   25.830   0.3306   24.950   0.4345   26.710   0.4983 -1.761000 0.6611000 
1 1 1  -38   12    3 o   39.180   0.3678   39.260   0.4476   39.090   0.5838 0.1669000 0.7357000 
1 1 1  -38   12    4 o   46.810   0.4093   46.810   0.4839   46.820   0.6602 -0.1235000E-01 0.8185000 
1 1 1  -38   12    5 o   24.730   0.3722   24.480   0.4429   24.970   0.5983 -0.4806000 0.7444000 
1 1 1  -38   12    6 o   6.6620   1.0560   4.1780   1.5850   9.1460   1.3960 -4.967000 2.112000 
1 1 1  -38   12    7 o   12.730   0.6070   12.330   0.7701   13.140   0.9385 -0.8163000 1.214000 
1 1 1  -38   12    8 o   29.300   0.3735   28.930   0.4755   29.670   0.5762 -0.7455000 0.7470000 
1 1 1  -38   12    9 o   11.870   0.7157   11.840   0.8523   11.900   1.1500 -0.5883000E-01 1.431000 
1 1 1  -38   12   10 o   19.880   0.4265   19.980   0.5610   19.770   0.6427 0.2047000 0.8531000 
1 1 1  -38   12   11 o   31.650   0.3498   31.220   0.4731   32.070   0.5154 -0.8447000 0.6996000 
1 1 1  -38   12   12 o   8.8430   1.0660   8.4080   1.6370   9.2780   1.3660 -0.8705000 2.132000 
1 1 1  -38   12   13 o   31.060   0.3822   31.590   0.5498   30.530   0.5311 1.063000 0.7645000 
1 1 1  -38   12   14 f   10.170   0.6830   10.460   0.9145   9.8850   1.0150 0.5790000 1.366000 
1 1 1  -38   12   15 o   24.090   0.3332   24.250   0.4645   23.920   0.4779 0.3215000 0.6665000 
1 1 1  -38   12   16 o   3.1620   0.9956   3.3840   1.4510   2.9400   1.3640 0.4438000 1.991000 
1 1 1  -38   12   17 o   12.580   0.5305   12.750   0.7133   12.400   0.7854 0.3516000 1.061000 
1 1 1  -38   12   18 o   17.430   0.4045   17.310   0.5545   17.550   0.5890 -0.2449000 0.8090000 
1 1 1  -38   12   19 o   15.530   0.4981   15.790   0.6590   15.270   0.7472 0.5194000 0.9963000 
1 1 1  -38   12   20 o   13.860   0.5442   13.840   0.7232   13.870   0.8135 -0.2773000E-01 1.088000 
1 1 1  -38   12   21 o   5.2040   1.1140   5.7800   1.5180   4.6280   1.6300 1.153000 2.228000 
1 1 1  -38   12   22 o   4.3170   1.1630   3.8390   1.5480   4.7960   1.7360 -0.9577000 2.326000 
1 1 1  -38   12   23 o   6.7840   1.0030   8.1140   1.1240   5.4540   1.6620 2.660000 2.007000 
1 1 1  -38   12   24 o   25.600   0.3397   25.360   0.4672   25.840   0.4932 -0.4758000 0.6794000 
1 1 1  -38   12   25 o   19.180   0.4050   19.430   0.5448   18.930   0.5995 0.4976000 0.8101000 
1 1 1  -38   12   26 o   3.9820   1.1300   4.3560   1.6270   3.6080   1.5680 0.7474000 2.259000 
1 1 1  -38   12   27 o   12.770   0.7298   11.840   1.0650   13.700   0.9977 -1.858000 1.460000 
1 1 1  -38   12   28 o   15.830   0.5318   16.910   0.7103   14.740   0.7917 2.170000 1.064000 
1 1 1  -38   12   29 o   10.670   0.9200   11.350   1.1910   9.9760   1.4030 1.379000 1.840000 
1 1 1  -38   12   30 o   4.2390   1.2100   2.7110   1.3400   5.7660   2.0140 -3.055000 2.419000 
1 1 1  -38   12   31 o   7.0210   1.2160   7.2400   1.6700   6.8030   1.7680 0.4363000 2.432000 
1 1 1  -38   12   32 o   6.0980   1.2610   5.4570   1.8060   6.7390   1.7620 -1.282000 2.523000 
1 1 1  -38   12   33 o   3.7060   1.1430   4.1320   1.7140   3.2800   1.5110 0.8521000 2.286000 
1 1 1  -38   14    1 o   29.810   0.3803   30.270   0.5106   29.350   0.5637 0.9244000 0.7606000 
1 1 1  -38   14    2 o   11.960   0.5581   11.820   0.7929   12.090   0.7857 -0.2654000 1.116000 
1 1 1  -38   14    3 o   20.430   0.3597   20.870   0.5031   19.980   0.5142 0.8928000 0.7194000 
1 1 1  -38   14    4 o   27.970   0.3531   27.900   0.4449   28.030   0.5485 -0.1234000 0.7063000 
1 1 1  -38   14    5 o   16.190   0.4563   16.980   0.5885   15.400   0.6975 1.579000 0.9126000 
1 1 1  -38   14    6 o   12.110   0.5949   12.230   0.7938   11.990   0.8863 0.2376000 1.190000 
1 1 1  -38   14    7 o   42.210   0.3300   41.710   0.4604   42.710   0.4730 -0.9996000 0.6601000 
1 1 1  -38   14    8 o   22.380   0.3539   22.820   0.4749   21.940   0.5250 0.8789000 0.7079000 
1 1 1  -38   14    9 o   25.440   0.5162   25.690   0.5386   25.190   0.8808 0.5067000 1.032000 
1 1 1  -38   14   10 o   11.250   1.0400   10.550   1.1020   11.960   1.7640 -1.404000 2.080000 
1 1 1  -38   14   11 o   35.980   0.4177   36.100   0.5254   35.870   0.6494 0.2246000 0.8353000 
1 1 1  -38   14   12 o   18.640   0.5034   18.980   0.5331   18.300   0.8542 0.6822000 1.007000 
1 1 1  -38   14   13 o   19.830   0.4844   19.820   0.5506   19.840   0.7972 -0.1184000E-01 0.9689000 
1 1 1  -38   14   14 o   26.620   0.3994   26.770   0.4564   26.470   0.6555 0.2992000 0.7988000 
1 1 1  -38   14   15 o   9.9410   0.6982   9.4540   0.9820   10.430   0.9927 -0.9750000 1.396000 
1 1 1  -38   14   16 o   7.8210   0.9795   7.5430   1.3680   8.0990   1.4020 -0.5562000 1.959000 
1 1 1  -38   14   17 o   13.800   0.5725   14.250   0.7437   13.340   0.8707 0.9090000 1.145000 
1 1 1  -38   14   18 o   17.960   0.4115   17.650   0.5692   18.280   0.5943 -0.6314000 0.8229000 
1 1 1  -38   14   19 f   24.070   0.3445   24.310   0.4783   23.820   0.4959 0.4821000 0.6890000 
1 1 1  -38   14   20 o   7.3930   0.9598   6.6180   1.4460   8.1680   1.2620 -1.550000 1.920000 
1 1 1  -38   14   21 o   5.3450   1.2020   5.5030   1.6160   5.1870   1.7810 0.3156000 2.405000 
1 1 1  -38   14   22 o   7.5950   0.9601   6.5080   1.4870   8.6820   1.2150 -2.174000 1.920000 
1 1 1  -38   14   23 o   10.290   0.7122   10.240   0.9530   10.340   1.0590 -0.1025000 1.424000 
1 1 1  -38   14   24 o   8.0170   0.9904   9.7550   1.0370   6.2790   1.6880 3.475000 1.981000 
1 1 1  -38   14   25 o   6.2050   1.1380   4.9700   1.6740   7.4400   1.5430 -2.470000 2.277000 
1 1 1  -38   14   26 o   13.570   0.7285   13.100   1.0410   14.040   1.0190 -0.9347000 1.457000 
1 1 1  -38   14   27 o   2.8200   0.9595   2.5010   1.2310   3.1400   1.4730 -0.6392000 1.919000 
1 1 1  -38   14   28 o   4.5720   1.3230   4.7410   1.8780   4.4040   1.8630 0.3367000 2.645000 
1 1 1  -38   14   29 o   3.6100   1.1330   3.8280   1.6400   3.3920   1.5640 0.4361000 2.266000 
1 1 1  -38   14   30 o   3.2940   1.0750   3.6580   1.6220   2.9290   1.4110 0.7284000 2.149000 
1 1 1  -38   14   31 o   4.2310   1.2200   4.3090   1.7380   4.1530   1.7140 0.1562000 2.441000 
1 1 1  -38   14   32 o   2.2360   0.7953   2.2310   1.1220   2.2420   1.1280 -0.1110000E-01 1.591000 
1 1 1  -38   16    1 o   22.930   0.3538   23.050   0.4829   22.810   0.5173 0.2450000 0.7076000 
1 1 1  -38   16    2 o   12.470   0.5496   12.380   0.7760   12.560   0.7784 -0.1766000 1.099000 
1 1 1  -38   16    3 f   16.850   0.4198   16.630   0.5991   17.060   0.5881 -0.4284000 0.8395000 
1 1 1  -38   16    4 o   18.230   0.3947   18.390   0.5613   18.060   0.5551 0.3357000 0.7894000 
1 1 1  -38   16    5 o   6.5410   1.0760   6.5210   1.4510   6.5610   1.5900 -0.3970000E-01 2.152000 
1 1 1  -38   16    6 o   3.6970   1.1020   3.5050   1.4990   3.8890   1.6170 -0.3839000 2.205000 
1 1 1  -38   16    7 o   11.480   0.6093   11.520   0.8169   11.430   0.9042 0.9284000E-01 1.219000 
1 1 1  -38   16    8 o   16.950   0.4327   17.370   0.5734   16.530   0.6482 0.8419000 0.8654000 
1 1 1  -38   16    9 o   8.2370   0.8708   8.1890   1.1770   8.2860   1.2840 -0.9686000E-01 1.742000 
1 1 1  -38   16   10 o   23.960   0.3442   23.950   0.4689   23.970   0.5039 -0.1569000E-01 0.6883000 
1 1 1  -38   16   11 o   17.300   0.4784   17.790   0.6107   16.800   0.7365 0.9891000 0.9568000 
1 1 1  -38   16   12 o   13.860   0.5855   13.350   0.7819   14.370   0.8716 -1.020000 1.171000 
1 1 1  -38   16   13 o   16.160   0.5176   16.660   0.6454   15.660   0.8093 0.9941000 1.035000 
1 1 1  -38   16   14 o   27.700   0.4515   27.360   0.5977   28.030   0.6769 -0.6717000 0.9030000 
1 1 1  -38   16   15 o   21.840   0.4623   21.130   0.5279   22.560   0.7591 -1.427000 0.9247000 
1 1 1  -38   16   16 o   6.8870   1.2440   6.9910   1.4350   6.7840   2.0340 0.2068000 2.489000 
1 1 1  -38   16   17 o   25.690   0.4334   25.320   0.4892   26.070   0.7156 -0.7489000 0.8669000 
1 1 1  -38   16   18 o   8.0910   1.1380   7.3040   1.3910   8.8770   1.8000 -1.573000 2.275000 
1 1 1  -38   16   19 o   12.920   0.7090   13.040   0.7625   12.800   1.1950 0.2329000 1.418000 
1 1 1  -38   16   20 o   11.510   0.7072   11.650   0.9329   11.360   1.0630 0.2907000 1.414000 
1 1 1  -38   16   21 o   11.350   0.6776   10.150   1.0210   12.560   0.8914 -2.408000 1.355000 
1 1 1  -38   16   22 o   17.500   0.4709   17.800   0.6296   17.190   0.7003 0.6076000 0.9417000 
1 1 1  -38   16   23 f   13.790   0.5795   13.010   0.8125   14.560   0.8264 -1.549000 1.159000 
1 1 1  -38   16   24 f   5.1980   1.2570   5.0580   1.7200   5.3380   1.8340 -0.2803000 2.514000 
1 1 1  -38   16   25 f   7.6610   1.2610   6.7450   1.8860   8.5780   1.6740 -1.832000 2.522000 
1 1 1  -38   16   26 o   5.0650   1.4760   5.6520   2.2530   4.4780   1.9090 1.174000 2.953000 
1 1 1  -38   16   27 o   6.7030   1.2270   7.6650   1.5800   5.7410   1.8770 1.924000 2.454000 
1 1 1  -38   16   28 o   6.5440   1.1820   8.1350   1.4850   4.9540   1.8390 3.181000 2.364000 
1 1 1  -38   16   29 f   3.8740   1.1810   3.7810   1.6390   3.9680   1.7000 -0.1868000 2.361000 
1 1 1  -38   16   30 f   3.1020   1.0310   2.8190   1.3610   3.3850   1.5500 -0.5658000 2.063000 
1 1 1  -38   16   31 o   3.6720   1.1820   3.4230   1.5960   3.9220   1.7440 -0.4994000 2.364000 
1 1 1  -38   18    1 o   8.6810   0.8836   8.6670   1.2420   8.6940   1.2570 -0.2639000E-01 1.767000 
1 1 1  -38   18    2 o   9.3820   0.8179   9.3060   1.1510   9.4580   1.1620 -0.1518000 1.636000 
1 1 1  -38   18    3 o   21.110   0.4001   21.320   0.5624   20.900   0.5693 0.4145000 0.8003000 
1 1 1  -38   18    4 o   20.890   0.4036   20.610   0.5708   21.170   0.5709 -0.5640000 0.8073000 
1 1 1  -38   18    5 o   6.1670   1.2120   6.4430   1.5900   5.8910   1.8300 0.5513000 2.424000 
1 1 1  -38   18    6 o   5.7540   1.2270   6.2370   1.6430   5.2700   1.8240 0.9675000 2.455000 
1 1 1  -38   18    7 o   25.510   0.3770   25.830   0.5087   25.190   0.5566 0.6427000 0.7541000 
1 1 1  -38   18    8 o   21.800   0.3674   21.660   0.5030   21.940   0.5355 -0.2838000 0.7347000 
1 1 1  -38   18    9 o   20.580   0.3880   20.940   0.5209   20.210   0.5752 0.7234000 0.7760000 
1 1 1  -38   18   10 o   47.100   0.3547   47.100   0.4964   47.110   0.5068 -0.1161000E-01 0.7094000 
1 1 1  -38   18   11 o   37.820   0.3254   37.530   0.4496   38.100   0.4707 -0.5758000 0.6509000 
1 1 1  -38   18   12 o   7.6040   0.9692   7.4290   1.3180   7.7800   1.4220 -0.3505000 1.938000 
1 1 1  -38   18   13 o   21.580   0.3762   20.880   0.5245   22.290   0.5395 -1.408000 0.7524000 
1 1 1  -38   18   14 o   11.670   0.6397   11.150   0.9072   12.180   0.9022 -1.034000 1.279000 
1 1 1  -38   18   15 o   22.030   0.3770   21.780   0.5170   22.290   0.5487 -0.5098000 0.7539000 
1 1 1  -38   18   16 o   27.310   0.3536   27.400   0.4978   27.220   0.5023 0.1804000 0.7072000 
1 1 1  -38   18   17 o   17.320   0.4699   17.450   0.6543   17.190   0.6747 0.2656000 0.9398000 
1 1 1  -38   18   18 o   6.4310   1.3420   6.6500   1.6480   6.2120   2.1170 0.4378000 2.683000 
1 1 1  -38   18   19 o   3.8210   1.2190   3.5620   1.5790   4.0790   1.8580 -0.5175000 2.438000 
1 1 1  -38   18   20 o   13.090   0.8133   13.600   0.7925   12.570   1.4210 1.034000 1.627000 
1 1 1  -38   18   21 o   4.2730   1.2700   4.4080   1.7030   4.1370   1.8830 0.2716000 2.539000 
1 1 1  -38   18   22 o   3.0370   1.0590   2.4120   1.1960   3.6630   1.7470 -1.251000 2.117000 
1 1 1  -38   18   23 o   5.1970   1.3360   4.2220   1.7250   6.1720   2.0400 -1.950000 2.672000 
1 1 1  -38   18   24 o   5.7860   1.5910   5.3660   2.2260   6.2070   2.2750 -0.8414000 3.183000 
1 1 1  -38   18   25 o   5.8150   1.3140   6.0100   1.8180   5.6200   1.8960 0.3903000 2.627000 
1 1 1  -38   18   26 o   6.0250   1.3030   5.4370   1.8150   6.6120   1.8710 -1.175000 2.607000 
1 1 1  -38   18   27 o   4.0070   1.2040   3.8080   1.6550   4.2060   1.7490 -0.3982000 2.408000 
1 1 1  -38   18   28 o   3.7760   1.1600   3.1940   1.4910   4.3570   1.7770 -1.163000 2.320000 
1 1 1  -38   18   29 o   5.2380   1.3060   5.2360   1.8500   5.2400   1.8450 -0.3268000E-02 2.613000 
1 1 1  -38   18   30 o   2.3590   0.8413   2.3730   1.1940   2.3440   1.1850 0.2829000E-01 1.683000 
1 1 1  -38   20    1 o   5.3430   1.1900   5.5990   1.6180   5.0870   1.7460 0.5116000 2.380000 
1 1 1  -38   20    2 o   20.210   0.3871   20.350   0.5292   20.080   0.5650 0.2696000 0.7742000 
1 1 1  -38   20    3 f   10.560   0.6955   11.650   0.8390   9.4800   1.1100 2.169000 1.391000 
1 1 1  -38   20    4 o   6.0530   1.0770   4.6430   1.6450   7.4620   1.3920 -2.819000 2.154000 
1 1 1  -38   20    5 o   7.4990   0.9936   4.6220   1.6590   10.380   1.0940 -5.754000 1.987000 
1 1 1  -38   20    6 f   21.610   0.3836   21.790   0.5145   21.430   0.5691 0.3655000 0.7672000 
1 1 1  -38   20    7 o   20.030   0.4059   20.210   0.5441   19.860   0.6025 0.3489000 0.8118000 
1 1 1  -38   20    8 o   16.620   0.4665   16.400   0.6387   16.830   0.6801 -0.4320000 0.9330000 
1 1 1  -38   20    9 f   11.970   0.6292   11.780   0.8721   12.160   0.9073 -0.3761000 1.258000 
1 1 1  -38   20   10 o   13.150   0.5902   13.500   0.7772   12.800   0.8884 0.7032000 1.180000 
1 1 1  -38   20   11 f   6.6700   1.1300   6.8160   1.5090   6.5240   1.6840 0.2925000 2.261000 
1 1 1  -38   20   12 o   4.8800   1.2140   5.0970   1.6750   4.6620   1.7590 0.4346000 2.429000 
1 1 1  -38   20   13 f   15.980   0.5015   16.200   0.6581   15.750   0.7569 0.4468000 1.003000 
1 1 1  -38   20   14 o   11.860   0.6704   12.100   0.8677   11.630   1.0220 0.4712000 1.341000 
1 1 1  -38   20   15 o   6.9860   1.2090   8.2540   1.4820   5.7180   1.9110 2.537000 2.418000 
1 1 1  -38   20   16 o   12.280   0.7153   11.300   1.0400   13.250   0.9826 -1.945000 1.431000 
1 1 1  -38   20   17 o   2.8420   0.9666   2.7980   1.3540   2.8860   1.3800 -0.8790000E-01 1.933000 
1 1 1  -38   20   18 o   3.2030   1.0410   3.5010   1.5510   2.9040   1.3890 0.5969000 2.082000 
1 1 1  -38   20   19 o   3.0630   1.0150   3.4540   1.5520   2.6720   1.3070 0.7816000 2.029000 
1 1 1  -38   20   20 o   4.3970   1.2390   4.0280   1.6820   4.7660   1.8190 -0.7386000 2.477000 
1 1 1  -38   20   21 o   14.950   0.7046   14.960   0.9700   14.940   1.0220 0.1531000E-01 1.409000 
1 1 1  -38   20   22 o   3.9550   1.3170   4.2860   1.9780   3.6240   1.7400 0.6622000 2.634000 
1 1 1  -38   20   23 o   7.6030   1.6430   8.1880   1.8890   7.0190   2.6900 1.169000 3.287000 
1 1 1  -38   20   24 o   5.6650   1.4400   5.4360   1.8630   5.8950   2.1960 -0.4586000 2.880000 
1 1 1  -38   20   25 o   4.0010   1.2660   3.5530   1.6000   4.4480   1.9620 -0.8954000 2.532000 
1 1 1  -38   20   26 o   4.3660   1.2510   5.2090   1.8480   3.5240   1.6860 1.685000 2.502000 
1 1 1  -38   20   27 o   3.3060   1.0980   3.5370   1.6260   3.0740   1.4770 0.4629000 2.196000 
1 1 1  -38   20   28 o   3.0240   1.0230   2.4580   1.2320   3.5910   1.6340 -1.132000 2.047000 
1 1 1  -38   22    1 o   10.390   0.8211   9.3340   1.1610   11.450   1.1620 -2.115000 1.642000 
1 1 1  -38   22    2 o   21.820   0.3975   21.210   0.5624   22.440   0.5620 -1.230000 0.7951000 
1 1 1  -38   22    3 o   7.4400   1.0580   8.2310   1.3030   6.6500   1.6680 1.581000 2.116000 
1 1 1  -38   22    4 o   4.3290   1.1760   4.9220   1.7160   3.7370   1.6100 1.185000 2.353000 
1 1 1  -38   22    5 o   10.270   0.8002   10.380   1.0460   10.150   1.2110 0.2337000 1.600000 
1 1 1  -38   22    6 o   29.470   0.3464   29.230   0.4759   29.710   0.5034 -0.4860000 0.6928000 
1 1 1  -38   22    7 o   16.870   0.4912   16.390   0.6824   17.340   0.7068 -0.9529000 0.9825000 
1 1 1  -38   22    8 o   12.750   0.6386   12.740   0.8604   12.760   0.9440 -0.1960000E-01 1.277000 
1 1 1  -38   22    9 o   16.250   0.5080   16.550   0.6694   15.960   0.7643 0.5933000 1.016000 
1 1 1  -38   22   10 o   12.390   0.6778   13.460   0.8129   11.320   1.0850 2.142000 1.356000 
1 1 1  -38   22   11 o   10.820   1.0980   12.360   1.0470   9.2790   1.9300 3.077000 2.195000 
1 1 1  -38   22   12 o   9.6260   0.9981   10.360   1.2050   8.8950   1.5910 1.461000 1.996000 
1 1 1  -38   22   13 o   8.5550   1.1170   8.1060   1.5520   9.0050   1.6070 -0.8983000 2.233000 
1 1 1  -38   22   14 o   15.700   0.5335   15.490   0.7115   15.900   0.7951 -0.4083000 1.067000 
1 1 1  -38   22   15 o   7.0340   1.0730   9.4070   1.1640   4.6620   1.8020 4.745000 2.146000 
1 1 1  -38   22   16 o   8.6360   0.9784   8.9040   1.2740   8.3670   1.4850 0.5366000 1.957000 
1 1 1  -38   22   17 o   14.860   0.7010   14.550   0.9865   15.170   0.9963 -0.6223000 1.402000 
1 1 1  -38   22   18 o   14.570   0.7319   15.250   0.9482   13.890   1.1150 1.365000 1.464000 
1 1 1  -38   22   19 o   4.8780   1.2910   5.1820   1.8060   4.5730   1.8450 0.6092000 2.582000 
1 1 1  -38   22   20 o   4.7550   1.3610   5.3700   2.0140   4.1390   1.8310 1.230000 2.722000 
1 1 1  -38   22   21 o   5.3950   1.4210   5.9380   2.0490   4.8520   1.9690 1.086000 2.841000 
1 1 1  -38   22   22 o   5.0970   1.2630   4.0970   1.7290   6.0980   1.8410 -2.001000 2.525000 
1 1 1  -38   22   23 o   5.1360   1.2330   3.3150   1.5310   6.9560   1.9320 -3.641000 2.466000 
1 1 1  -38   22   24 o   4.8130   1.2740   5.2830   1.8410   4.3430   1.7610 0.9400000 2.548000 
1 1 1  -38   22   25 o   2.7160   0.9476   2.6690   1.3200   2.7630   1.3600 -0.9310000E-01 1.895000 
1 1 1  -38   22   26 o   2.6790   0.9426   2.8350   1.3860   2.5230   1.2780 0.3127000 1.885000 
1 1 1  -38   24    1 o   8.9630   0.9713   9.9140   1.1460   8.0120   1.5680 1.902000 1.943000 
1 1 1  -38   24    2 o   10.600   0.7832   9.6050   1.2120   11.590   0.9919 -1.982000 1.566000 
1 1 1  -38   24    3 o   8.7190   0.9566   7.8120   1.4780   9.6260   1.2150 -1.814000 1.913000 
1 1 1  -38   24    4 o   15.740   0.5772   15.730   0.8762   15.760   0.7515 -0.3508000E-01 1.154000 
1 1 1  -38   24    5 o   13.970   0.6592   13.610   0.9924   14.320   0.8680 -0.7053000 1.318000 
1 1 1  -38   24    6 o   5.8480   1.2400   4.5670   1.8310   7.1280   1.6720 -2.562000 2.480000 
1 1 1  -38   24    7 o   14.790   0.5675   15.170   0.7462   14.410   0.8551 0.7671000 1.135000 
1 1 1  -38   24    8 o   10.920   0.7527   10.290   1.0840   11.550   1.0450 -1.260000 1.505000 
1 1 1  -38   24    9 o   16.910   0.5045   16.560   0.7039   17.270   0.7229 -0.7093000 1.009000 
1 1 1  -38   24   10 o   9.5120   0.8917   8.8320   1.3140   10.190   1.2050 -1.360000 1.783000 
1 1 1  -38   24   11 o   6.1630   1.3570   6.7790   1.8970   5.5460   1.9410 1.233000 2.714000 
1 1 1  -38   24   12 o   7.9410   1.2360   8.3620   1.6760   7.5210   1.8170 0.8414000 2.472000 
1 1 1  -38   24   13 o   4.2690   1.8300   4.2690   1.8300  ?   ?       ?      ? 
1 1 1  -38   24   14 o   13.300   0.7692   12.840   1.1090   13.770   1.0660 -0.9286000 1.538000 
1 1 1  -38   24   15 o   20.530   0.4994   20.160   0.6284   20.900   0.7763 -0.7333000 0.9988000 
1 1 1  -38   24   16 o   3.8500   1.1790   4.1990   1.7310   3.5020   1.6020 0.6971000 2.358000 
1 1 1  -38   24   17 o   13.570   0.7321   14.080   0.8937   13.060   1.1600 1.025000 1.464000 
1 1 1  -38   24   18 o   10.660   1.0150   9.8220   1.5120   11.500   1.3560 -1.679000 2.031000 
1 1 1  -38   24   19 o   3.6030   1.1820   3.3540   1.5860   3.8520   1.7530 -0.4977000 2.364000 
1 1 1  -38   24   20 o   3.4160   1.1020   3.7690   1.6570   3.0620   1.4550 0.7069000 2.205000 
1 1 1  -38   24   21 o   4.0380   1.2080   4.0580   1.7040   4.0180   1.7130 0.4036000E-01 2.416000 
1 1 1  -38   24   22 o   3.0650   1.0410   3.0680   1.4730   3.0620   1.4710 0.6490000E-02 2.082000 
1 1 1  -38   24   23 f   4.5260   1.2950   4.2540   1.7840   4.7970   1.8770 -0.5425000 2.590000 
1 1 1  -38   24   24 o   2.6920   0.9506   2.4010   1.2270   2.9830   1.4520 -0.5817000 1.901000 
1 1 1  -38   26    1 o   13.880   0.7039   15.280   0.9371   12.490   1.0510 2.794000 1.408000 
1 1 1  -38   26    2 o   9.9240   0.8974   9.4700   1.2920   10.380   1.2460 -0.9087000 1.795000 
1 1 1  -38   26    3 o   15.870   0.5727   15.410   0.8086   16.320   0.8113 -0.9102000 1.145000 
1 1 1  -38   26    4 o   10.530   0.8460   11.720   1.0360   9.3430   1.3380 2.378000 1.692000 
1 1 1  -38   26    5 f   13.190   0.6948   14.640   0.8366   11.740   1.1100 2.907000 1.390000 
1 1 1  -38   26    6 f   14.750   0.5936   15.540   0.7609   13.960   0.9112 1.579000 1.187000 
1 1 1  -38   26    7 o   7.8610   1.0950   8.3600   1.4150   7.3620   1.6700 0.9977000 2.189000 
1 1 1  -38   26    8 o   4.0690   1.1900   4.5850   1.7580   3.5530   1.6040 1.031000 2.379000 
1 1 1  -38   26    9 o   5.2580   1.2540   6.1910   1.7770   4.3240   1.7700 1.867000 2.508000 
1 1 1  -38   26   10 o   5.8730   1.2870   5.3410   1.8120   6.4050   1.8280 -1.064000 2.574000 
1 1 1  -38   26   11 o   5.3120   1.3010   5.4870   1.8350   5.1370   1.8460 0.3491000 2.603000 
1 1 1  -38   26   12 o   6.3630   1.2680   6.8140   1.7180   5.9120   1.8650 0.9019000 2.536000 
1 1 1  -38   26   13 o   3.6990   1.1920   3.4170   1.5990   3.9810   1.7690 -0.5635000 2.384000 
1 1 1  -38   26   14 o   12.330   0.8599   13.240   1.1160   11.430   1.3090 1.807000 1.720000 
1 1 1  -38   26   15 o   11.990   0.9851   11.490   1.2310   12.490   1.5380 -1.003000 1.970000 
1 1 1  -38   26   16 o   19.110   0.6272   18.130   0.7134   20.090   1.0320 -1.954000 1.254000 
1 1 1  -38   26   17 f   2.7680   0.9521   2.9160   1.3980   2.6200   1.2930 0.2953000 1.904000 
1 1 1  -38   26   18 o   3.6650   1.1790   3.9450   1.7400   3.3850   1.5900 0.5608000 2.357000 
1 1 1  -38   26   19 o   4.4050   1.2940   4.5640   1.8500   4.2450   1.8110 0.3190000 2.588000 
1 1 1  -38   26   20 o   2.7650   0.9472   2.9280   1.3960   2.6020   1.2800 0.3262000 1.894000 
1 1 1  -38   26   21 o   2.4810   0.8743   2.5390   1.2660   2.4230   1.2060 0.1161000 1.749000 
1 1 1  -38   28    1 o   4.0420   1.2650   3.4390   1.6140   4.6450   1.9500 -1.206000 2.531000 
1 1 1  -38   28    2 o   5.2330   1.4210   5.3410   1.9860   5.1260   2.0350 0.2155000 2.843000 
1 1 1  -38   28    3 o   6.8490   1.4260   5.9070   2.0060   7.7910   2.0280 -1.884000 2.852000 
1 1 1  -38   28    4 o   4.4160   1.3130   3.4210   1.6050   5.4110   2.0770 -1.990000 2.625000 
1 1 1  -38   28    5 o   5.5690   1.3690   6.7890   1.9770   4.3480   1.8940 2.442000 2.738000 
1 1 1  -38   28    6 o   3.7530   1.2090   4.1260   1.8010   3.3790   1.6130 0.7477000 2.418000 
1 1 1  -38   28    7 o   4.5190   1.3180   5.1120   1.9470   3.9260   1.7760 1.185000 2.635000 
1 1 1  -38   28    8 o   3.8980   1.2360   3.8350   1.7210   3.9620   1.7760 -0.1267000 2.473000 
1 1 1  -38   28    9 o   3.2200   1.0880   3.3870   1.5890   3.0530   1.4860 0.3336000 2.175000 
1 1 1  -38   28   10 o   3.9180   1.2410   3.6970   1.6910   4.1390   1.8170 -0.4423000 2.482000 
1 1 1  -38   28   11 o   5.4470   1.3400   4.5360   1.8460   6.3580   1.9440 -1.822000 2.681000 
1 1 1  -38   28   12 o   6.6530   1.2280   8.5930   1.5930   4.7130   1.8690 3.880000 2.456000 
1 1 1  -38   28   13 o   2.5710   0.9062   2.5230   1.2630   2.6190   1.3000 -0.9598000E-01 1.812000 
1 1 1  -38   28   14 o   5.3710   1.3550   5.5920   1.9320   5.1500   1.9010 0.4419000 2.710000 
1 1 1  -38   28   15 o   4.2380   1.2260   4.3480   1.7480   4.1270   1.7190 0.2215000 2.452000 
1 1 1  -38   28   16 o   2.3750   0.8394   2.8040   1.3530   1.9460   0.9933 0.8584000 1.679000 
1 1 1  -38   28   17 o   2.2590   0.8027   2.5310   1.2460   1.9880   1.0130 0.5425000 1.605000 
1 1 1  -38   30    1 o   3.2680   1.0720   3.1420   1.4740   3.3930   1.5560 -0.2510000 2.143000 
1 1 1  -38   30    2 o   3.0730   1.0370   2.5330   1.2530   3.6130   1.6520 -1.080000 2.074000 
1 1 1  -38   30    3 o   3.7330   1.1620   3.4570   1.5690   4.0080   1.7150 -0.5510000 2.324000 
1 1 1  -38   30    4 o   2.7560   0.9587   2.5950   1.2780   2.9170   1.4300 -0.3225000 1.917000 
1 1 1  -38   30    5 o   5.4610   1.2850   5.8240   1.8080   5.0980   1.8270 0.7258000 2.570000 
1 1 1  -38   30    6 o   3.7450   1.1430   4.3730   1.7510   3.1170   1.4700 1.255000 2.286000 
1 1 1  -38   30    7 o   6.3510   1.2600   6.0820   1.8030   6.6200   1.7600 -0.5378000 2.520000 
1 1 1  -38   30    8 o   2.8330   0.9637   3.0170   1.4250   2.6500   1.2980 0.3671000 1.927000 
1 1 1  -38   30    9 o   2.3250   0.8228   2.3690   1.1820   2.2810   1.1450 0.8800000E-01 1.646000 
1 1 1  -38   30   10 o   2.6300   0.9101   2.5660   1.2590   2.6940   1.3140 -0.1280000 1.820000 
1 1 1  -38   30   11 o   2.6710   0.9167   3.2110   1.4830   2.1320   1.0780 1.079000 1.833000 
1 1 1  -37    1    1 o   57.330   0.4335   57.490   0.6137   57.170   0.6123 0.3235000 0.8669000 
1 1 1  -37    1    2 o   11.040   0.8105   11.040   0.8105  ?   ?       ?      ? 
1 1 1  -37    1    3 o   57.690   0.4344   57.630   0.6127   57.750   0.6161 -0.1198000 0.8689000 
1 1 1  -37    1    4 o   27.870   0.2376   27.960   0.3363   27.780   0.3357 0.1793000 0.4751000 
1 1 1  -37    1    5 o   73.310   0.4674   73.820   0.6654   72.800   0.6566 1.010000 0.9348000 
1 1 1  -37    1    6 o   39.430   0.3943   40.800   0.5669   38.050   0.5481 2.745000 0.7886000 
1 1 1  -37    1    7 o   45.910   0.4360   44.140   0.5970   47.680   0.6355 -3.548000 0.8720000 
1 1 1  -37    1    8 o   23.560   0.2870   23.330   0.4104   23.800   0.4012 -0.4707000 0.5739000 
1 1 1  -37    1    9 o   19.870   0.2557   20.200   0.3641   19.540   0.3590 0.6670000 0.5114000 
1 1 1  -37    1   10 o   19.110   0.2814   19.590   0.4107   18.630   0.3850 0.9614000 0.5629000 
1 1 1  -37    1   11 o   13.400   0.3719   13.340   0.5403   13.460   0.5110 -0.1188000 0.7437000 
1 1 1  -37    1   12 f   77.460   0.5734   76.570   0.8017   78.350   0.8199 -1.779000 1.147000 
1 1 1  -37    1   13 o   56.880   0.4372   56.630   0.6185   57.140   0.6180 -0.5123000 0.8743000 
1 1 1  -37    1   14 o   14.360   0.4668   14.090   0.6791   14.620   0.6407 -0.5275000 0.9337000 
1 1 1  -37    1   15 o   13.130   0.4416   12.910   0.6333   13.350   0.6157 -0.4414000 0.8833000 
1 1 1  -37    1   16 o   13.680   0.4317   13.090   0.6270   14.280   0.5936 -1.195000 0.8634000 
1 1 1  -37    1   17 o   35.810   0.2946   35.620   0.4147   36.000   0.4185 -0.3771000 0.5891000 
1 1 1  -37    1   18 o   38.990   0.3057   39.200   0.4344   38.790   0.4301 0.4039000 0.6113000 
1 1 1  -37    1   19 o   13.020   0.4643   13.270   0.6427   12.780   0.6701 0.4983000 0.9285000 
1 1 1  -37    1   20 o   17.010   0.3652   16.500   0.5315   17.510   0.5010 -1.009000 0.7304000 
1 1 1  -37    1   21 o   16.160   0.4071   16.170   0.6163   16.150   0.5322 0.1854000E-01 0.8143000 
1 1 1  -37    1   22 o   13.240   0.6090   13.580   0.8340   12.910   0.8877 0.6697000 1.218000 
1 1 1  -37    1   23 o   18.890   0.4355   19.400   0.5086   18.390   0.7070 1.005000 0.8709000 
1 1 1  -37    1   24 o   9.2830   0.7787   8.7050   0.9212   9.8600   1.2560 -1.155000 1.557000 
1 1 1  -37    1   25 o   16.370   0.4732   15.670   0.5576   17.080   0.7646 -1.413000 0.9463000 
1 1 1  -37    1   26 o   23.580   0.4050   23.910   0.4476   23.260   0.6752 0.6502000 0.8101000 
1 1 1  -37    1   27 o   10.990   1.2830   11.870   1.2160   10.110   2.2600 1.758000 2.566000 
1 1 1  -37    1   28 f   18.680   0.4885   18.340   0.8130   19.030   0.5416 -0.6955000 0.9769000 
1 1 1  -37    1   29 o   25.070   0.4238   25.360   0.6975   24.790   0.4815 0.5738000 0.8475000 
1 1 1  -37    1   30 o   13.590   0.7316   11.810   1.2770   15.360   0.7134 -3.547000 1.463000 
1 1 1  -37    1   31 o   8.5630   1.0330   8.5160   1.5810   8.6110   1.3290 -0.9509000E-01 2.065000 
1 1 1  -37    1   32 o   9.7030   0.8302   9.5150   1.1770   9.8920   1.1710 -0.3773000 1.660000 
1 1 1  -37    1   33 o   15.580   0.5497   15.320   0.7711   15.850   0.7837 -0.5296000 1.099000 
1 1 1  -37    1   34 o   4.5030   1.3130   4.4270   1.8390   4.5780   1.8730 -0.1507000 2.625000 
1 1 1  -37    1   35 o   6.9050   1.4550   8.0510   2.0060   5.7590   2.1090 2.292000 2.911000 
1 1 1  -37    1   36 o   6.1560   1.2680   6.0220   1.7930   6.2900   1.7940 -0.2678000 2.536000 
1 1 1  -37    3    1 o   33.050   0.2815   32.800   0.4278   33.290   0.3659 -0.4948000 0.5629000 
1 1 1  -37    3    2 o   50.810   0.4286   51.330   0.6641   50.300   0.5419 1.039000 0.8571000 
1 1 1  -37    3    4 o   49.410   0.5922   48.700   0.6706   50.120   0.9762 -1.425000 1.184000 
1 1 1  -37    3    5 o  109.400   0.9825  108.900   1.3830  109.900   1.3960 -0.9957000 1.965000 
1 1 1  -37    3    6 o   85.180   0.7711   86.050   1.1020   84.310   1.0790 1.733000 1.542000 
1 1 1  -37    3    7 f   13.300   0.3219   13.460   0.4458   13.150   0.4645 0.3032000 0.6438000 
1 1 1  -37    3    8 o   51.940   0.3446   51.920   0.4893   51.950   0.4854 -0.2394000E-01 0.6893000 
1 1 1  -37    3    9 f   80.910   0.7320   82.080   1.0510   79.740   1.0200 2.344000 1.464000 
1 1 1  -37    3   10 o   55.900   0.4233   55.860   0.5986   55.930   0.5987 -0.7489000E-01 0.8466000 
1 1 1  -37    3   11 o   68.340   0.4426   68.350   0.6264   68.320   0.6253 0.3682000E-01 0.8851000 
1 1 1  -37    3   12 o   52.390   0.3533   52.520   0.5007   52.270   0.4985 0.2523000 0.7066000 
1 1 1  -37    3   13 o   17.530   0.3312   17.100   0.4841   17.960   0.4522 -0.8618000 0.6625000 
1 1 1  -37    3   14 o   42.350   0.3621   42.210   0.5164   42.490   0.5078 -0.2753000 0.7243000 
1 1 1  -37    3   15 o   42.030   0.3113   42.050   0.4413   42.000   0.4391 0.4432000E-01 0.6226000 
1 1 1  -37    3   16 o   27.260   0.2929   27.190   0.4171   27.320   0.4112 -0.1305000 0.5857000 
1 1 1  -37    3   17 o   27.360   0.2924   27.650   0.4140   27.060   0.4131 0.5858000 0.5848000 
1 1 1  -37    3   18 o   49.120   0.3452   49.400   0.4906   48.850   0.4858 0.5484000 0.6904000 
1 1 1  -37    3   19 o   11.970   0.5975   11.080   0.7585   12.860   0.9235 -1.787000 1.195000 
1 1 1  -37    3   20 o   25.030   0.3692   25.720   0.4206   24.330   0.6069 1.386000 0.7383000 
1 1 1  -37    3   21 o   30.590   0.4686   30.410   0.4848   30.780   0.8020 -0.3652000 0.9371000 
1 1 1  -37    3   22 o   18.170   0.4434   18.230   0.4966   18.120   0.7347 0.1114000 0.8868000 
1 1 1  -37    3   23 o   20.320   0.4231   20.570   0.5001   20.070   0.6827 0.5053000 0.8463000 
1 1 1  -37    3   24 o   20.570   0.3300   20.130   0.4664   21.010   0.4671 -0.8768000 0.6601000 
1 1 1  -37    3   25 o   2.7270   0.8972   2.6210   1.2270   2.8330   1.3090 -0.2121000 1.794000 
1 1 1  -37    3   26 o   25.920   0.3600   25.130   0.4931   26.710   0.5246 -1.581000 0.7200000 
1 1 1  -37    3   27 o   10.370   0.7303   9.9680   1.0890   10.780   0.9729 -0.8147000 1.461000 
1 1 1  -37    3   28 o   23.690   0.3948   23.340   0.5726   24.040   0.5436 -0.7017000 0.7895000 
1 1 1  -37    3   29 o   22.050   0.3617   21.510   0.5185   22.580   0.5045 -1.070000 0.7234000 
1 1 1  -37    3   30 o   5.9220   1.1730   6.7640   1.5890   5.0790   1.7260 1.685000 2.346000 
1 1 1  -37    3   31 o   6.3190   1.3530   5.9850   2.1310   6.6520   1.6690 -0.6667000 2.707000 
1 1 1  -37    3   32 o   20.340   0.5631   19.870   0.9357   20.820   0.6268 -0.9511000 1.126000 
1 1 1  -37    3   33 o   8.5470   1.2240   7.7900   2.0710   9.3040   1.3050 -1.515000 2.448000 
1 1 1  -37    3   34 o   3.3670   1.1140   3.6090   1.6490   3.1260   1.4990 0.4828000 2.228000 
1 1 1  -37    3   35 o   15.620   0.6528   16.030   0.8804   15.210   0.9642 0.8233000 1.306000 
1 1 1  -37    3   36 o   4.5360   1.2470   4.2310   1.7250   4.8400   1.8010 -0.6092000 2.494000 
1 1 1  -37    5    1 o   48.780   0.3312   48.550   0.4648   49.010   0.4719 -0.4510000 0.6624000 
1 1 1  -37    5    2 o   45.680   0.6573   46.160   0.9291   45.190   0.9300 0.9715000 1.315000 
1 1 1  -37    5    3 o   50.870   0.7054   50.040   0.9799   51.700   1.0150 -1.657000 1.411000 
1 1 1  -37    5    4 o   31.070   0.5898   31.750   0.8183   30.390   0.8494 1.359000 1.180000 
1 1 1  -37    5    5 o   24.940   0.6075   25.180   0.8457   24.700   0.8723 0.4808000 1.215000 
1 1 1  -37    5    6 o   41.270   0.6251   41.930   0.8867   40.620   0.8812 1.316000 1.250000 
1 1 1  -37    5    7 o   46.940   0.4742   46.920   0.6738   46.950   0.6675 -0.2962000E-01 0.9485000 
1 1 1  -37    5    8 f   71.650   0.4617   71.660   0.6544   71.640   0.6515 0.1934000E-01 0.9234000 
1 1 1  -37    5    9 f   83.360   0.5768   83.100   0.7518   83.620   0.8751 -0.5249000 1.154000 
1 1 1  -37    5   10 o   31.120   0.3128   31.300   0.4420   30.930   0.4427 0.3709000 0.6256000 
1 1 1  -37    5   11 o   45.320   0.3195   45.100   0.4499   45.540   0.4539 -0.4435000 0.6391000 
1 1 1  -37    5   12 o   51.530   0.3528   50.930   0.4952   52.140   0.5028 -1.207000 0.7057000 
1 1 1  -37    5   13 o   60.320   0.4010   60.160   0.5661   60.480   0.5680 -0.3238000 0.8020000 
1 1 1  -37    5   14 o   42.630   0.4181   42.080   0.5263   43.180   0.6499 -1.099000 0.8363000 
1 1 1  -37    5   15 o   26.600   0.4006   26.320   0.5217   26.880   0.6082 -0.5604000 0.8013000 
1 1 1  -37    5   16 o   34.850   0.3669   35.310   0.4190   34.390   0.6023 0.9180000 0.7338000 
1 1 1  -37    5   17 o   20.670   0.4122   20.290   0.4761   21.050   0.6731 -0.7548000 0.8244000 
1 1 1  -37    5   18 o   24.130   0.3772   23.800   0.4353   24.470   0.6162 -0.6632000 0.7544000 
1 1 1  -37    5   19 o   22.850   0.4084   22.670   0.5212   23.020   0.6290 -0.3516000 0.8168000 
1 1 1  -37    5   20 o   24.640   0.3471   24.810   0.4909   24.470   0.4908 0.3367000 0.6941000 
1 1 1  -37    5   21 o   29.050   0.3118   28.250   0.4076   29.850   0.4719 -1.606000 0.6236000 
1 1 1  -37    5   22 o   35.800   0.2980   35.700   0.4218   35.900   0.4210 -0.2044000 0.5960000 
1 1 1  -37    5   23 o   15.330   0.4404   15.670   0.5727   15.000   0.6692 0.6690000 0.8808000 
1 1 1  -37    5   24 o   17.490   0.3649   17.400   0.5075   17.580   0.5243 -0.1780000 0.7297000 
1 1 1  -37    5   25 o   12.180   0.5948   12.640   0.7507   11.710   0.9229 0.9311000 1.190000 
1 1 1  -37    5   26 o   30.530   0.3015   30.310   0.4214   30.750   0.4312 -0.4468000 0.6029000 
1 1 1  -37    5   27 f   13.540   0.4975   13.600   0.6747   13.490   0.7313 0.1103000 0.9950000 
1 1 1  -37    5   28 o   4.8300   1.2450   5.1720   1.7850   4.4890   1.7360 0.6829000 2.490000 
1 1 1  -37    5   29 o   9.7400   0.7416   10.200   0.9604   9.2790   1.1300 0.9228000 1.483000 
1 1 1  -37    5   30 o   12.550   0.6185   12.330   0.8834   12.770   0.8658 -0.4356000 1.237000 
1 1 1  -37    5   31 o   4.5110   1.2210   4.7070   1.7350   4.3150   1.7200 0.3919000 2.443000 
1 1 1  -37    5   32 o   4.8550   1.1700   3.4420   1.5500   6.2670   1.7550 -2.825000 2.341000 
1 1 1  -37    5   33 o   4.4990   1.2070   6.0280   1.9390   2.9690   1.4390 3.059000 2.415000 
1 1 1  -37    5   34 o   8.8340   1.1890   9.5770   1.7740   8.0910   1.5850 1.486000 2.379000 
1 1 1  -37    5   35 o   3.5520   1.2020   3.8140   1.8380   3.2900   1.5500 0.5243000 2.404000 
1 1 1  -37    7    1 o   19.660   0.2810   20.040   0.3816   19.280   0.4124 0.7626000 0.5619000 
1 1 1  -37    7    2 o   12.400   0.4136   12.280   0.6806   12.510   0.4699 -0.2303000 0.8271000 
1 1 1  -37    7    3 o   21.630   0.5252   21.550   0.7366   21.710   0.7487 -0.1556000 1.050000 
1 1 1  -37    7    4 o   60.120   0.5752   60.000   0.8119   60.250   0.8149 -0.2497000 1.150000 
1 1 1  -37    7    5 o   52.610   0.5215   52.300   0.7321   52.930   0.7428 -0.6375000 1.043000 
1 1 1  -37    7    6 o   30.950   0.6221   30.950   0.6221  ?   ?       ?      ? 
1 1 1  -37    7    7 o   31.520   0.3683   32.930   0.6249   30.110   0.3898 2.827000 0.7365000 
1 1 1  -37    7    8 o   43.230   0.3647   43.290   0.5086   43.170   0.5228 0.1259000 0.7294000 
1 1 1  -37    7    9 o   52.790   0.5861   52.790   0.5861  ?   ?       ?      ? 
1 1 1  -37    7   10 o   15.400   0.5563   15.530   0.5550   15.270   0.9643 0.2606000 1.113000 
1 1 1  -37    7   11 o   32.380   0.3734   31.990   0.4055   32.770   0.6271 -0.7821000 0.7468000 
1 1 1  -37    7   12 o   8.2140   1.0370   8.9830   0.9102   7.4450   1.8640 1.538000 2.074000 
1 1 1  -37    7   13 o   21.750   0.4199   21.180   0.4602   22.310   0.7024 -1.125000 0.8398000 
1 1 1  -37    7   14 o   49.360   0.4118   49.070   0.5814   49.640   0.5833 -0.5701000 0.8235000 
1 1 1  -37    7   15 o   49.410   0.4109   49.490   0.5829   49.330   0.5794 0.1637000 0.8219000 
1 1 1  -37    7   16 o   15.280   0.4339   15.680   0.5843   14.890   0.6417 0.7937000 0.8679000 
1 1 1  -37    7   17 o   15.360   0.4577   14.870   0.6873   15.850   0.6046 -0.9854000 0.9154000 
1 1 1  -37    7   18 o   34.180   0.3469   34.160   0.4906   34.210   0.4906 -0.5100000E-01 0.6938000 
1 1 1  -37    7   19 o   24.560   0.3083   24.380   0.4265   24.740   0.4455 -0.3546000 0.6167000 
1 1 1  -37    7   20 o   11.130   0.5370   11.390   0.7146   10.880   0.8019 0.5101000 1.074000 
1 1 1  -37    7   21 o   33.080   0.2970   33.010   0.4192   33.150   0.4208 -0.1382000 0.5940000 
1 1 1  -37    7   22 o   5.5450   1.0410   5.3750   1.4410   5.7160   1.5020 -0.3402000 2.081000 
1 1 1  -37    7   23 o   22.460   0.3542   22.880   0.4731   22.040   0.5272 0.8459000 0.7083000 
1 1 1  -37    7   24 o   18.700   0.4093   18.430   0.5500   18.980   0.6062 -0.5480000 0.8185000 
1 1 1  -37    7   25 o   22.640   0.3306   22.510   0.4561   22.760   0.4787 -0.2581000 0.6612000 
1 1 1  -37    7   26 o   23.910   0.3303   23.970   0.4575   23.840   0.4766 0.1368000 0.6607000 
1 1 1  -37    7   27 o   3.5030   1.0460   4.0930   1.5840   2.9130   1.3650 1.179000 2.091000 
1 1 1  -37    7   28 o   3.5820   1.0840   4.6480   1.7770   2.5150   1.2430 2.133000 2.168000 
1 1 1  -37    7   29 o   15.720   0.4817   15.510   0.6839   15.930   0.6786 -0.4238000 0.9634000 
1 1 1  -37    7   30 o   3.0840   1.0110   3.1620   1.4450   3.0060   1.4150 0.1562000 2.022000 
1 1 1  -37    7   31 o   3.3510   1.0730   3.1870   1.4580   3.5150   1.5740 -0.3286000 2.145000 
1 1 1  -37    7   32 o   12.400   0.7868   11.260   1.2020   13.530   1.0150 -2.268000 1.574000 
1 1 1  -37    7   33 o   5.3030   1.3600   5.8040   1.9430   4.8010   1.9050 1.003000 2.721000 
1 1 1  -37    7   34 o   7.4950   1.1330   7.1930   1.6460   7.7970   1.5570 -0.6039000 2.265000 
1 1 1  -37    7   35 o   4.0650   1.2350   4.4990   1.8360   3.6320   1.6520 0.8675000 2.470000 
1 1 1  -37    9    1 o   70.510   0.7587   70.510   0.7587  ?   ?       ?      ? 
1 1 1  -37    9    2 o   24.780   0.5188   24.780   0.5188  ?   ?       ?      ? 
1 1 1  -37    9    3 o   32.390   0.3902   32.390   0.3902  ?   ?       ?      ? 
1 1 1  -37    9    4 o   56.910   0.5377   56.910   0.5377  ?   ?       ?      ? 
1 1 1  -37    9    5 o   20.850   0.3994   20.850   0.3994  ?   ?       ?      ? 
1 1 1  -37    9    6 o   45.540   0.4205   45.730   0.4563   45.350   0.7065 0.3835000 0.8410000 
1 1 1  -37    9    7 o   19.290   0.4950   19.340   0.4010   19.230   0.9051 0.1110000 0.9900000 
1 1 1  -37    9    8 o   18.740   0.4079   18.840   0.5183   18.630   0.6301 0.2057000 0.8159000 
1 1 1  -37    9    9 o   27.140   0.3195   27.200   0.4655   27.080   0.4377 0.1195000 0.6389000 
1 1 1  -37    9   10 o   43.200   0.3729   44.300   0.5315   42.110   0.5232 2.191000 0.7458000 
1 1 1  -37    9   11 o   31.280   0.3054   31.330   0.4237   31.220   0.4400 0.1143000 0.6108000 
1 1 1  -37    9   12 o   36.170   0.3089   35.920   0.4301   36.410   0.4436 -0.4903000 0.6179000 
1 1 1  -37    9   13 o   47.230   0.3445   47.360   0.4859   47.090   0.4884 0.2652000 0.6889000 
1 1 1  -37    9   14 o   56.120   0.4528   56.410   0.6442   55.820   0.6366 0.5818000 0.9057000 
1 1 1  -37    9   15 f   17.860   0.4626   17.040   0.6520   18.690   0.6566 -1.646000 0.9253000 
1 1 1  -37    9   16 o   21.160   0.4044   21.080   0.5544   21.240   0.5890 -0.1555000 0.8089000 
1 1 1  -37    9   17 o   14.920   0.4424   14.920   0.6078   14.920   0.6430 -0.5186000E-02 0.8848000 
1 1 1  -37    9   18 o   19.760   0.3510   19.870   0.4834   19.660   0.5090 0.2148000 0.7019000 
1 1 1  -37    9   19 f   36.550   0.3050   36.480   0.4297   36.610   0.4331 -0.1299000 0.6101000 
1 1 1  -37    9   20 o   30.350   0.2998   29.980   0.4232   30.720   0.4247 -0.7428000 0.5996000 
1 1 1  -37    9   21 o   14.440   0.4398   13.940   0.6216   14.940   0.6224 -1.001000 0.8797000 
1 1 1  -37    9   22 o   9.0070   0.8743   9.2520   0.9879   8.7630   1.4430 0.4888000 1.749000 
1 1 1  -37    9   23 o   23.240   0.5367   23.240   0.5367  ?   ?       ?      ? 
1 1 1  -37    9   24 o   10.630   0.6083   9.4840   0.9073   11.770   0.8105 -2.285000 1.217000 
1 1 1  -37    9   25 o   3.0450   0.9704   2.6830   1.2590   3.4060   1.4770 -0.7232000 1.941000 
1 1 1  -37    9   26 o   11.320   0.5966   10.830   0.8310   11.810   0.8563 -0.9733000 1.193000 
1 1 1  -37    9   27 o   12.310   0.7033   12.150   0.9865   12.470   1.0030 -0.3135000 1.407000 
1 1 1  -37    9   28 o   12.730   0.6846   12.680   0.9635   12.790   0.9728 -0.1039000 1.369000 
1 1 1  -37    9   29 o   8.8840   0.8767   9.4110   1.1040   8.3560   1.3620 1.055000 1.753000 
1 1 1  -37    9   30 o   3.0180   1.0020   3.1990   1.4660   2.8380   1.3670 0.3617000 2.004000 
1 1 1  -37    9   31 o   3.5610   1.1590   3.2790   1.5590   3.8420   1.7140 -0.5632000 2.317000 
1 1 1  -37    9   32 o   4.1650   1.2790   3.9720   1.7670   4.3590   1.8480 -0.3875000 2.557000 
1 1 1  -37    9   33 o   10.140   0.8580   9.3010   1.3060   10.990   1.1130 -1.687000 1.716000 
1 1 1  -37    9   34 o   3.8080   1.1560   4.1450   1.7040   3.4700   1.5620 0.6756000 2.312000 
1 1 1  -37    9   35 o   2.7970   1.3980   2.7970   1.3980  ?   ?       ?      ? 
1 1 1  -37   11    1 o   18.090   0.5264   17.270   0.7573   18.910   0.7313 -1.646000 1.053000 
1 1 1  -37   11    2 o   46.720   0.3658   46.870   0.4798   46.580   0.5522 0.2837000 0.7315000 
1 1 1  -37   11    3 o   30.170   0.2973   30.620   0.4133   29.720   0.4275 0.8994000 0.5946000 
1 1 1  -37   11    4 o   16.300   0.4152   17.320   0.5150   15.290   0.6515 2.029000 0.8305000 
1 1 1  -37   11    5 o   28.480   0.3528   28.940   0.4138   28.030   0.5715 0.9099000 0.7056000 
1 1 1  -37   11    6 o   15.100   0.5174   15.350   0.5908   14.850   0.8495 0.4988000 1.035000 
1 1 1  -37   11    7 o   53.110   0.4489   52.120   0.5144   54.090   0.7357 -1.971000 0.8978000 
1 1 1  -37   11    8 o   51.410   0.5097   51.410   0.5097  ?   ?       ?      ? 
1 1 1  -37   11    9 o   19.190   0.4651   18.810   0.5218   19.570   0.7700 -0.7611000 0.9301000 
1 1 1  -37   11   10 o   42.510   0.3981   42.990   0.4576   42.020   0.6516 0.9710000 0.7962000 
1 1 1  -37   11   11 o   21.620   0.4615   21.530   0.5547   21.710   0.7378 -0.1766000 0.9230000 
1 1 1  -37   11   12 o   14.210   0.8671   12.940   1.3460   15.490   1.0940 -2.549000 1.734000 
1 1 1  -37   11   13 o   5.6920   1.4880   5.0720   2.0860   6.3110   2.1230 -1.240000 2.977000 
1 1 1  -37   11   14 o   38.380   0.3205   38.430   0.4533   38.330   0.4531 0.1005000 0.6410000 
1 1 1  -37   11   15 o   16.370   0.4312   16.300   0.5964   16.440   0.6228 -0.1433000 0.8623000 
1 1 1  -37   11   16 o   24.870   0.3602   25.270   0.4577   24.480   0.5563 0.7915000 0.7204000 
1 1 1  -37   11   17 o   19.490   0.3728   19.730   0.5069   19.260   0.5468 0.4712000 0.7456000 
1 1 1  -37   11   18 o   47.450   0.3481   47.560   0.4934   47.350   0.4913 0.2036000 0.6963000 
1 1 1  -37   11   19 o   26.000   0.3158   26.400   0.4423   25.590   0.4508 0.8035000 0.6315000 
1 1 1  -37   11   20 o   18.160   0.4330   17.950   0.5872   18.370   0.6366 -0.4222000 0.8661000 
1 1 1  -37   11   21 o   12.220   0.5920   12.320   0.7907   12.110   0.8814 0.2044000 1.184000 
1 1 1  -37   11   22 o   8.6030   0.8838   10.300   0.8720   6.9090   1.5380 3.389000 1.768000 
1 1 1  -37   11   23 o   3.6420   0.9773   2.1260   1.0530   5.1590   1.6470 -3.033000 1.955000 
1 1 1  -37   11   24 o   3.3970   1.0160   3.9290   1.5260   2.8640   1.3410 1.065000 2.031000 
1 1 1  -37   11   25 o   10.550   0.6556   10.970   0.8399   10.130   1.0070 0.8424000 1.311000 
1 1 1  -37   11   26 o   12.170   0.6060   13.170   0.7443   11.170   0.9565 2.005000 1.212000 
1 1 1  -37   11   27 o   16.530   0.5633   16.530   0.7725   16.520   0.8200 0.3420000E-02 1.127000 
1 1 1  -37   11   28 o   3.6460   1.1160   3.3670   1.4970   3.9240   1.6540 -0.5568000 2.231000 
1 1 1  -37   11   29 o   12.960   0.6326   13.900   0.8003   12.020   0.9799 1.884000 1.265000 
1 1 1  -37   11   30 o   5.0690   1.3620   4.4360   1.8560   5.7020   1.9950 -1.267000 2.725000 
1 1 1  -37   11   31 o   4.9490   1.2760   5.6640   1.8450   4.2340   1.7630 1.430000 2.552000 
1 1 1  -37   11   32 o   6.1000   1.2440   4.8910   1.8170   7.3090   1.6990 -2.418000 2.487000 
1 1 1  -37   11   33 o   3.5470   1.1200   3.2150   1.4960   3.8790   1.6690 -0.6636000 2.241000 
1 1 1  -37   11   34 o   4.6000   1.2560   4.8170   1.8010   4.3830   1.7500 0.4346000 2.511000 
1 1 1  -37   13    1 o   28.500   0.3625   28.440   0.4941   28.550   0.5307 -0.1134000 0.7251000 
1 1 1  -37   13    2 o   15.350   0.4974   15.110   0.6944   15.600   0.7123 -0.4856000 0.9948000 
1 1 1  -37   13    3 o   16.640   0.5887   16.440   0.8045   16.840   0.8598 -0.3993000 1.177000 
1 1 1  -37   13    4 o   61.300   0.6713   61.300   0.6713  ?   ?       ?      ? 
1 1 1  -37   13    5 o   20.960   0.4206   21.000   0.5618   20.920   0.6260 0.7464000E-01 0.8412000 
1 1 1  -37   13    6 o   16.370   0.5054   15.980   0.6850   16.750   0.7432 -0.7738000 1.011000 
1 1 1  -37   13    7 o   4.3910   1.1760   5.0790   1.6950   3.7030   1.6300 1.376000 2.351000 
1 1 1  -37   13    8 o   18.970   0.4431   19.460   0.5819   18.480   0.6684 0.9774000 0.8862000 
1 1 1  -37   13    9 o   22.140   0.3914   22.940   0.4886   21.340   0.6115 1.595000 0.7827000 
1 1 1  -37   13   10 o   30.430   0.3851   30.120   0.5272   30.740   0.5614 -0.6237000 0.7702000 
1 1 1  -37   13   11 o   11.380   1.1860   12.270   0.9722   10.490   2.1640 1.780000 2.372000 
1 1 1  -37   13   12 o   28.850   0.4072   28.840   0.4708   28.860   0.6645 -0.1766000E-01 0.8144000 
1 1 1  -37   13   13 f   18.610   0.5120   19.140   0.5736   18.090   0.8482 1.054000 1.024000 
1 1 1  -37   13   14 o   5.2110   1.2390   5.8200   1.5830   4.6020   1.9050 1.218000 2.477000 
1 1 1  -37   13   15 o   5.2830   1.2920   4.7450   1.6190   5.8200   2.0150 -1.076000 2.585000 
1 1 1  -37   13   16 o   3.0550   0.9695   3.6660   1.5140   2.4450   1.2120 1.220000 1.939000 
1 1 1  -37   13   17 o   26.170   0.3285   26.160   0.4550   26.180   0.4740 -0.1996000E-01 0.6570000 
1 1 1  -37   13   18 o   5.3800   1.1500   6.4940   1.5310   4.2650   1.7170 2.230000 2.300000 
1 1 1  -37   13   19 o   8.5290   0.8896   7.6330   1.3090   9.4250   1.2050 -1.792000 1.779000 
1 1 1  -37   13   20 o   14.180   0.4813   14.280   0.6498   14.090   0.7101 0.1894000 0.9626000 
1 1 1  -37   13   21 o   18.610   0.4279   18.750   0.5713   18.460   0.6371 0.2886000 0.8558000 
1 1 1  -37   13   22 o   12.110   0.5915   12.590   0.7735   11.630   0.8952 0.9515000 1.183000 
1 1 1  -37   13   23 o   8.4490   0.8299   8.6080   1.0960   8.2900   1.2470 0.3179000 1.660000 
1 1 1  -37   13   24 o   10.440   0.6833   9.9650   0.9591   10.920   0.9735 -0.9572000 1.367000 
1 1 1  -37   13   25 o   10.200   0.7547   11.020   0.9503   9.3800   1.1730 1.642000 1.509000 
1 1 1  -37   13   26 o   17.940   0.5474   18.770   0.7331   17.100   0.8130 1.663000 1.095000 
1 1 1  -37   13   27 o   12.820   0.7493   12.130   1.0880   13.510   1.0310 -1.376000 1.499000 
1 1 1  -37   13   28 o   2.6810   0.9236   2.8760   1.3770   2.4860   1.2320 0.3902000 1.847000 
1 1 1  -37   13   29 o   3.6750   1.1730   4.2310   1.8010   3.1200   1.5030 1.111000 2.346000 
1 1 1  -37   13   30 o   3.5920   1.1060   4.3950   1.7470   2.7890   1.3580 1.606000 2.213000 
1 1 1  -37   13   31 o   4.0930   1.2150   3.9690   1.6800   4.2170   1.7550 -0.2482000 2.430000 
1 1 1  -37   13   32 o   8.9450   0.9941   9.7900   1.2520   8.0990   1.5440 1.692000 1.988000 
1 1 1  -37   13   33 o   2.2480   0.8000   2.4340   1.2090   2.0620   1.0480 0.3716000 1.600000 
1 1 1  -37   15    1 o   56.780   0.4293   56.080   0.6387   57.470   0.5740 -1.383000 0.8587000 
1 1 1  -37   15    2 o   20.780   0.4391   20.500   0.5998   21.070   0.6413 -0.5698000 0.8781000 
1 1 1  -37   15    3 o   20.240   0.4440   19.770   0.6197   20.710   0.6360 -0.9424000 0.8880000 
1 1 1  -37   15    4 o   13.660   0.6216   13.440   0.8631   13.880   0.8947 -0.4417000 1.243000 
1 1 1  -37   15    5 o   6.7480   1.1250   8.7460   1.3230   4.7510   1.8210 3.995000 2.251000 
1 1 1  -37   15    6 o   26.050   0.3895   25.510   0.5416   26.590   0.5600 -1.088000 0.7790000 
1 1 1  -37   15    7 o   23.410   0.4078   23.110   0.5690   23.700   0.5844 -0.5898000 0.8156000 
1 1 1  -37   15    8 f   21.530   0.4335   21.460   0.6014   21.590   0.6245 -0.1304000 0.8670000 
1 1 1  -37   15    9 o   16.640   0.4487   16.330   0.6247   16.950   0.6442 -0.6236000 0.8973000 
1 1 1  -37   15   10 f   15.850   0.4733   15.750   0.6352   15.950   0.7017 -0.2000000 0.9465000 
1 1 1  -37   15   11 o   7.7910   0.9709   8.9070   1.0980   6.6740   1.6020 2.232000 1.942000 
1 1 1  -37   15   12 o   16.310   0.4567   16.560   0.6058   16.060   0.6835 0.5068000 0.9133000 
1 1 1  -37   15   13 o   31.950   0.3447   31.850   0.5139   32.040   0.4595 -0.1923000 0.6893000 
1 1 1  -37   15   14 o   16.090   0.5264   16.200   0.7167   15.980   0.7712 0.2246000 1.053000 
1 1 1  -37   15   15 o   28.540   0.4306   29.490   0.5121   27.590   0.6923 1.897000 0.8612000 
1 1 1  -37   15   16 o   7.0060   1.0610   3.4770   1.5270   10.530   1.4740 -7.058000 2.122000 
1 1 1  -37   15   17 o   10.760   0.9356   11.830   0.8340   9.6870   1.6750 2.140000 1.871000 
1 1 1  -37   15   18 o   8.7420   1.0960   9.8130   0.9835   7.6720   1.9580 2.141000 2.191000 
1 1 1  -37   15   19 o   8.4530   1.0860   8.6480   1.1300   8.2580   1.8550 0.3902000 2.173000 
1 1 1  -37   15   20 o   15.480   0.7669   15.860   0.6732   15.090   1.3780 0.7761000 1.534000 
1 1 1  -37   15   21 o   13.670   0.5570   13.470   0.7786   13.870   0.7969 -0.3997000 1.114000 
1 1 1  -37   15   22 o   7.2410   1.0320   6.8630   1.4440   7.6200   1.4730 -0.7566000 2.063000 
1 1 1  -37   15   23 o   3.6450   1.1060   3.7060   1.5550   3.5830   1.5720 0.1231000 2.211000 
1 1 1  -37   15   24 o   6.0830   1.2000   6.2440   1.6180   5.9220   1.7720 0.3211000 2.399000 
1 1 1  -37   15   25 o   10.650   0.9240   9.2530   1.4280   12.040   1.1730 -2.792000 1.848000 
1 1 1  -37   15   26 o   5.1890   1.3520   5.7340   1.9270   4.6430   1.8980 1.091000 2.705000 
1 1 1  -37   15   27 o   10.010   1.0260   9.9060   1.4270   10.110   1.4760 -0.2057000 2.053000 
1 1 1  -37   15   28 o   8.6780   1.0190   9.5690   1.2300   7.7870   1.6260 1.782000 2.039000 
1 1 1  -37   15   29 o   13.020   0.6791   13.540   0.8990   12.510   1.0180 1.030000 1.358000 
1 1 1  -37   15   30 o   4.8160   1.2830   4.4320   1.7700   5.1990   1.8580 -0.7666000 2.566000 
1 1 1  -37   15   31 o   3.4030   1.0950   3.0890   1.4540   3.7170   1.6380 -0.6287000 2.190000 
1 1 1  -37   15   32 o   3.7420   1.1920   3.5710   1.6380   3.9130   1.7320 -0.3417000 2.384000 
1 1 1  -37   17    1 o   11.880   0.6653   11.800   0.9257   11.970   0.9558 -0.1702000 1.331000 
1 1 1  -37   17    2 o   34.280   0.3189   34.020   0.4474   34.550   0.4546 -0.5282000 0.6378000 
1 1 1  -37   17    3 o   10.400   0.7515   11.520   1.0620   9.2730   1.0640 2.250000 1.503000 
1 1 1  -37   17    4 o   13.890   0.5065   14.470   0.6904   13.320   0.7414 1.148000 1.013000 
1 1 1  -37   17    5 o   33.690   0.3212   33.500   0.4440   33.880   0.4643 -0.3783000 0.6425000 
1 1 1  -37   17    6 o   27.260   0.3328   27.710   0.4557   26.800   0.4852 0.9035000 0.6656000 
1 1 1  -37   17    7 o   17.820   0.4733   18.080   0.6260   17.570   0.7101 0.5066000 0.9467000 
1 1 1  -37   17    8 o   13.500   0.5994   13.510   0.7850   13.490   0.9060 0.2295000E-01 1.199000 
1 1 1  -37   17    9 o   15.160   0.5497   15.310   0.7189   15.020   0.8317 0.2878000 1.099000 
1 1 1  -37   17   10 o   9.1240   0.9141   7.9500   1.3750   10.300   1.2040 -2.348000 1.828000 
1 1 1  -37   17   11 o   19.810   0.4382   19.400   0.5807   20.210   0.6566 -0.8026000 0.8765000 
1 1 1  -37   17   12 o   17.260   0.4396   16.730   0.6102   17.800   0.6329 -1.065000 0.8791000 
1 1 1  -37   17   13 o   19.110   0.4059   18.260   0.5649   19.970   0.5830 -1.708000 0.8118000 
1 1 1  -37   17   14 o   27.410   0.3332   27.810   0.4499   27.020   0.4915 0.7886000 0.6664000 
1 1 1  -37   17   15 f   17.820   0.4360   17.490   0.6162   18.140   0.6170 -0.6497000 0.8720000 
1 1 1  -37   17   16 o   9.4360   0.8098   8.2200   1.2710   10.650   1.0040 -2.432000 1.620000 
1 1 1  -37   17   17 o   29.580   0.3359   29.190   0.4770   29.970   0.4730 -0.7793000 0.6718000 
1 1 1  -37   17   18 o   9.8730   0.8169   10.100   1.0380   9.6440   1.2620 0.4581000 1.634000 
1 1 1  -37   17   19 o   4.3350   1.2240   4.1540   1.6610   4.5150   1.8000 -0.3602000 2.449000 
1 1 1  -37   17   20 o   5.3500   1.3550   4.7930   1.6810   5.9080   2.1250 -1.116000 2.709000 
1 1 1  -37   17   21 f   4.2410   1.2810   3.7460   1.5860   4.7360   2.0120 -0.9899000 2.561000 
1 1 1  -37   17   22 o   5.8940   1.3100   6.9310   1.6100   4.8580   2.0680 2.074000 2.621000 
1 1 1  -37   17   23 o   9.5470   1.0950   8.7990   1.2590   10.290   1.7930 -1.495000 2.191000 
1 1 1  -37   17   24 o   4.9100   1.3570   5.9880   1.9390   3.8330   1.9000 2.154000 2.715000 
1 1 1  -37   17   25 o   5.9480   1.5870   5.3280   2.2010   6.5680   2.2860 -1.240000 3.173000 
1 1 1  -37   17   26 f   9.8670   0.9915   8.9080   1.3990   10.830   1.4050 -1.917000 1.983000 
1 1 1  -37   17   27 o   4.5820   1.2780   4.6430   1.8080   4.5210   1.8070 0.1228000 2.556000 
1 1 1  -37   17   28 o   3.1510   1.0500   3.1950   1.4900   3.1070   1.4800 0.8763000E-01 2.100000 
1 1 1  -37   17   29 o   3.9160   1.1910   4.1970   1.7470   3.6350   1.6200 0.5619000 2.382000 
1 1 1  -37   17   30 o   10.110   0.9639   10.820   1.1560   9.4010   1.5430 1.415000 1.928000 
1 1 1  -37   17   31 o   2.3670   0.8529   2.1950   1.1170   2.5380   1.2890 -0.3424000 1.706000 
1 1 1  -37   19    1 o   26.830   0.4184   25.590   0.4695   28.070   0.6926 -2.486000 0.8368000 
1 1 1  -37   19    2 o   4.8830   1.1800   4.6380   1.6460   5.1270   1.6900 -0.4897000 2.359000 
1 1 1  -37   19    3 f   22.080   0.3620   21.590   0.5128   22.570   0.5112 -0.9743000 0.7241000 
1 1 1  -37   19    4 o   7.4090   0.9540   7.5430   1.3120   7.2750   1.3850 0.2680000 1.908000 
1 1 1  -37   19    5 o   19.290   0.4048   19.390   0.5414   19.190   0.6020 0.2016000 0.8097000 
1 1 1  -37   19    6 f   5.7030   1.1350   6.6030   1.4930   4.8040   1.7110 1.799000 2.271000 
1 1 1  -37   19    7 o   9.9930   0.7284   10.170   0.9663   9.8160   1.0900 0.3533000 1.457000 
1 1 1  -37   19    8 o   10.720   0.6910   10.650   0.9393   10.800   1.0140 -0.1480000 1.382000 
1 1 1  -37   19    9 o   17.380   0.4455   17.330   0.6054   17.440   0.6537 -0.1141000 0.8910000 
1 1 1  -37   19   10 o   13.230   0.5738   13.180   0.7689   13.280   0.8520 -0.1022000 1.148000 
1 1 1  -37   19   11 f   9.1090   0.8205   8.5510   1.1750   9.6670   1.1460 -1.116000 1.641000 
1 1 1  -37   19   12 f   22.570   0.3760   22.840   0.5001   22.300   0.5615 0.5349000 0.7519000 
1 1 1  -37   19   13 o   6.1040   1.1290   7.0640   1.4280   5.1450   1.7490 1.919000 2.258000 
1 1 1  -37   19   14 o   19.370   0.4251   19.190   0.5809   19.560   0.6209 -0.3674000 0.8503000 
1 1 1  -37   19   15 o   10.150   0.7609   9.5990   1.0720   10.700   1.0800 -1.099000 1.522000 
1 1 1  -37   19   16 o   14.940   0.5993   16.210   0.7506   13.660   0.9346 2.552000 1.199000 
1 1 1  -37   19   17 o   12.470   0.6949   12.260   0.9557   12.680   1.0090 -0.4143000 1.390000 
1 1 1  -37   19   18 o   9.3610   0.8867   8.0600   1.4020   10.660   1.0870 -2.602000 1.773000 
1 1 1  -37   19   19 o   3.2590   1.0470   3.7560   1.6120   2.7620   1.3360 0.9941000 2.094000 
1 1 1  -37   19   20 o   7.6540   1.0600   7.6510   1.4390   7.6570   1.5570 -0.6124000E-02 2.120000 
1 1 1  -37   19   21 o   14.410   0.5920   14.910   0.7669   13.920   0.9020 0.9918000 1.184000 
1 1 1  -37   19   22 o   8.9870   1.1840   9.1050   1.6150   8.8690   1.7310 0.2359000 2.367000 
1 1 1  -37   19   23 o   3.5530   1.2170   3.5270   1.7200   3.5790   1.7220 -0.5169000E-01 2.434000 
1 1 1  -37   19   24 o   6.7370   1.4380   7.0780   1.7320   6.3970   2.2960 0.6806000 2.877000 
1 1 1  -37   19   25 o   3.1480   1.0640   3.4040   1.5530   2.8930   1.4540 0.5106000 2.127000 
1 1 1  -37   19   26 o   11.520   1.0070   12.110   1.0670   10.930   1.7070 1.176000 2.013000 
1 1 1  -37   19   27 o   4.0250   1.2620   4.0950   1.7300   3.9550   1.8370 0.1403000 2.524000 
1 1 1  -37   19   28 o   4.3540   1.2840   4.1230   1.7410   4.5840   1.8860 -0.4607000 2.567000 
1 1 1  -37   19   29 o   2.2030   0.7923   2.2220   1.1290   2.1840   1.1120 0.3840000E-01 1.585000 
1 1 1  -37   21    1 f   5.5010   1.1750   3.8710   1.5990   7.1310   1.7230 -3.260000 2.351000 
1 1 1  -37   21    2 o   7.7000   0.9732   7.9720   1.2960   7.4280   1.4520 0.5435000 1.946000 
1 1 1  -37   21    3 o   5.1640   1.0630   6.8800   1.4760   3.4480   1.5300 3.432000 2.126000 
1 1 1  -37   21    4 o   16.720   0.4596   17.020   0.6341   16.420   0.6655 0.5998000 0.9192000 
1 1 1  -37   21    5 o   9.9300   0.8051   10.810   0.9607   9.0530   1.2920 1.753000 1.610000 
1 1 1  -37   21    6 o   10.850   0.7072   10.460   0.9846   11.240   1.0160 -0.7800000 1.414000 
1 1 1  -37   21    7 o   19.990   0.4161   20.260   0.5596   19.720   0.6159 0.5425000 0.8322000 
1 1 1  -37   21    8 o   5.9790   1.2040   5.7570   1.6690   6.2020   1.7360 -0.4450000 2.408000 
1 1 1  -37   21    9 o   29.200   0.3471   29.390   0.4780   29.010   0.5034 0.3725000 0.6942000 
1 1 1  -37   21   10 o   3.9680   1.1520   4.3860   1.6760   3.5490   1.5820 0.8367000 2.305000 
1 1 1  -37   21   11 o   19.430   0.4395   19.130   0.6094   19.740   0.6334 -0.6117000 0.8790000 
1 1 1  -37   21   12 o   20.950   0.4179   21.600   0.5598   20.310   0.6206 1.296000 0.8358000 
1 1 1  -37   21   13 o   22.110   0.4616   22.310   0.6201   21.910   0.6839 0.3975000 0.9231000 
1 1 1  -37   21   14 o   14.990   0.6176   14.240   0.8639   15.740   0.8829 -1.498000 1.235000 
1 1 1  -37   21   15 o   11.160   0.8403   11.340   1.0900   10.990   1.2790 0.3460000 1.681000 
1 1 1  -37   21   16 o   8.7380   0.9655   9.5970   1.1160   7.8790   1.5760 1.718000 1.931000 
1 1 1  -37   21   17 o   4.7920   1.2330   4.0360   1.6540   5.5490   1.8280 -1.514000 2.466000 
1 1 1  -37   21   18 o   10.940   0.8006   11.020   1.1490   10.850   1.1150 0.1728000 1.601000 
1 1 1  -37   21   19 o   5.6410   1.4120   5.0670   1.9600   6.2160   2.0310 -1.149000 2.823000 
1 1 1  -37   21   20 o   4.8200   1.3300   3.8120   1.7230   5.8280   2.0260 -2.016000 2.660000 
1 1 1  -37   21   21 o   5.3120   1.3650   6.3580   2.0110   4.2650   1.8450 2.094000 2.729000 
1 1 1  -37   21   22 o   5.7820   1.4310   5.2130   1.9950   6.3510   2.0520 -1.138000 2.862000 
1 1 1  -37   21   23 o   3.5980   1.1470   3.6110   1.6240   3.5840   1.6220 0.2668000E-01 2.295000 
1 1 1  -37   21   24 o   4.0940   1.2280   4.2760   1.7680   3.9120   1.7040 0.3643000 2.455000 
1 1 1  -37   21   25 o   3.3680   1.0970   3.4390   1.5710   3.2970   1.5320 0.1423000 2.194000 
1 1 1  -37   21   26 o   2.2990   0.8233   2.3380   1.1820   2.2600   1.1460 0.7751000E-01 1.647000 
1 1 1  -37   21   27 o   2.3810   0.8537   2.4480   1.2310   2.3150   1.1830 0.1323000 1.707000 
1 1 1  -37   23    1 o   12.110   0.9224   12.980   1.0200   11.230   1.5370 1.753000 1.845000 
1 1 1  -37   23    2 o   9.3910   1.0220   9.8580   1.3700   8.9250   1.5170 0.9335000 2.045000 
1 1 1  -37   23    3 o   10.650   0.8857   10.790   1.2330   10.520   1.2720 0.2672000 1.771000 
1 1 1  -37   23    4 o   28.430   0.4147   28.420   0.5849   28.430   0.5880 -0.1370000E-01 0.8294000 
1 1 1  -37   23    5 o   22.670   0.4877   22.870   0.6525   22.480   0.7251 0.3933000 0.9754000 
1 1 1  -37   23    6 o   11.870   0.8155   11.340   1.1390   12.400   1.1680 -1.052000 1.631000 
1 1 1  -37   23    7 o   21.050   0.5038   21.250   0.6814   20.860   0.7422 0.3921000 1.008000 
1 1 1  -37   23    8 o   5.4850   1.3820   5.3340   1.9130   5.6360   1.9940 -0.3016000 2.763000 
1 1 1  -37   23    9 o   9.3560   1.0580   8.2780   1.6110   10.430   1.3700 -2.157000 2.115000 
1 1 1  -37   23   10 o   5.2080   1.3630   5.6630   1.9260   4.7520   1.9280 0.9118000 2.726000 
1 1 1  -37   23   11 o   11.180   0.8011   11.390   1.1650   10.970   1.1000 0.4214000 1.602000 
1 1 1  -37   23   12 o   9.9740   0.8496   11.070   1.0140   8.8760   1.3630 2.197000 1.699000 
1 1 1  -37   23   13 o   8.5570   1.0020   7.2920   1.5710   9.8230   1.2460 -2.531000 2.005000 
1 1 1  -37   23   14 o   3.9120   1.1800   4.1660   1.7080   3.6580   1.6270 0.5081000 2.359000 
1 1 1  -37   23   15 f   6.3960   1.3810   6.0960   1.9620   6.6970   1.9440 -0.6015000 2.762000 
1 1 1  -37   23   16 f   6.7320   1.3290   7.8890   1.7600   5.5750   1.9910 2.313000 2.658000 
1 1 1  -37   23   17 o   6.8560   1.3940   6.1580   2.0010   7.5540   1.9410 -1.396000 2.787000 
1 1 1  -37   23   18 o   7.1340   1.1750   8.5360   1.3820   5.7320   1.9010 2.804000 2.351000 
1 1 1  -37   23   19 o   6.1460   1.3910   7.2350   1.9290   5.0580   2.0050 2.178000 2.782000 
1 1 1  -37   23   20 o   4.6330   1.3650   5.8930   2.2040   3.3740   1.6090 2.520000 2.729000 
1 1 1  -37   23   21 o   5.6010   1.3380   5.4780   1.8890   5.7240   1.8940 -0.2458000 2.676000 
1 1 1  -37   23   22 o   3.3920   1.1060   3.6930   1.6530   3.0920   1.4700 0.6011000 2.212000 
1 1 1  -37   23   23 o   2.7550   0.9469   2.2990   1.1550   3.2110   1.5010 -0.9129000 1.894000 
1 1 1  -37   23   24 o   2.9590   1.0140   2.9520   1.4290   2.9670   1.4380 -0.1496000E-01 2.028000 
1 1 1  -37   23   25 o   2.4090   0.8492   2.4390   1.2140   2.3790   1.1870 0.6049000E-01 1.698000 
1 1 1  -37   25    1 o   11.510   0.9219   11.600   1.1690   11.420   1.4260 0.1785000 1.844000 
1 1 1  -37   25    2 o   9.2390   1.0530   8.3500   1.6580   10.130   1.2980 -1.778000 2.106000 
1 1 1  -37   25    3 o   11.180   0.8575   11.170   1.2590   11.190   1.1650 -0.1131000E-01 1.715000 
1 1 1  -37   25    4 o   6.8840   1.2840   6.2350   1.9330   7.5340   1.6920 -1.299000 2.568000 
1 1 1  -37   25    5 o   11.690   0.8461   12.790   1.0620   10.600   1.3180 2.195000 1.692000 
1 1 1  -37   25    6 o   7.2290   1.2730   8.1590   1.6360   6.2980   1.9520 1.861000 2.547000 
1 1 1  -37   25    7 o   10.260   0.9679   11.030   1.2300   9.4910   1.4950 1.543000 1.936000 
1 1 1  -37   25    8 o   6.4460   1.3510   5.8640   1.9230   7.0280   1.8980 -1.164000 2.702000 
1 1 1  -37   25    9 o   10.130   0.9841   9.9820   1.3860   10.290   1.3980 -0.3059000 1.968000 
1 1 1  -37   25   10 o   5.2220   1.3550   5.8030   1.9440   4.6410   1.8880 1.163000 2.710000 
1 1 1  -37   25   11 o   3.9100   1.2280   3.8740   1.7310   3.9460   1.7420 -0.7186000E-01 2.456000 
1 1 1  -37   25   12 o   6.3510   1.2140   5.0910   1.7950   7.6110   1.6340 -2.520000 2.427000 
1 1 1  -37   25   13 o   3.4120   1.1010   3.4310   1.5580   3.3930   1.5570 0.3729000E-01 2.203000 
1 1 1  -37   25   14 o   6.2370   1.2780   6.3630   1.7730   6.1110   1.8410 0.2522000 2.557000 
1 1 1  -37   25   15 o   16.280   0.6482   16.870   0.8741   15.690   0.9574 1.186000 1.296000 
1 1 1  -37   25   16 o   6.2690   1.3890   5.5750   1.9640   6.9630   1.9650 -1.388000 2.778000 
1 1 1  -37   25   17 o   7.6160   1.3350   7.2830   1.9050   7.9490   1.8710 -0.6662000 2.670000 
1 1 1  -37   25   18 o   3.6340   1.1310   2.8300   1.3700   4.4370   1.8010 -1.606000 2.263000 
1 1 1  -37   25   19 o   3.2420   1.0730   3.0120   1.4390   3.4720   1.5910 -0.4602000 2.145000 
1 1 1  -37   25   20 o   3.6800   1.1800   3.9190   1.7340   3.4410   1.6000 0.4779000 2.360000 
1 1 1  -37   25   21 o   3.6050   1.1560   3.1170   1.4910   4.0920   1.7660 -0.9746000 2.311000 
1 1 1  -37   25   22 o   3.9540   1.2020   3.6700   1.6620   4.2390   1.7350 -0.5684000 2.403000 
1 1 1  -37   25   23 o   2.4160   0.8764   2.7280   1.3760   2.1040   1.0860 0.6233000 1.753000 
1 1 1  -37   27    1 o   9.6130   1.1810   7.5960   1.8830   11.630   1.4270 -4.034000 2.363000 
1 1 1  -37   27    2 o   8.7330   1.2830   9.3020   1.6370   8.1640   1.9750 1.138000 2.566000 
1 1 1  -37   27    3 o   15.250   0.6881   15.930   0.8194   14.560   1.1060 1.365000 1.376000 
1 1 1  -37   27    4 o   15.050   0.6052   14.880   0.8593   15.220   0.8524 -0.3406000 1.210000 
1 1 1  -37   27    5 o   3.8230   1.1670   4.4960   1.7940   3.1500   1.4930 1.346000 2.334000 
1 1 1  -37   27    6 o   3.7940   1.1740   3.5870   1.5980   4.0000   1.7200 -0.4130000 2.348000 
1 1 1  -37   27    7 o   4.1900   1.2020   3.3320   1.5310   5.0470   1.8530 -1.715000 2.404000 
1 1 1  -37   27    8 o   7.2140   1.3470   7.7460   1.8060   6.6820   1.9990 1.064000 2.694000 
1 1 1  -37   27    9 o   8.1650   1.2440   9.5910   1.4620   6.7390   2.0140 2.852000 2.488000 
1 1 1  -37   27   10 o   4.6910   1.3440   4.7830   1.8840   4.5980   1.9160 0.1851000 2.687000 
1 1 1  -37   27   11 o   5.9750   1.3980   6.6070   1.9520   5.3440   2.0010 1.264000 2.796000 
1 1 1  -37   27   12 o   8.0120   1.2690   9.4850   1.5420   6.5390   2.0160 2.946000 2.539000 
1 1 1  -37   27   13 o   5.5510   1.3680   5.2850   1.9790   5.8170   1.8890 -0.5328000 2.736000 
1 1 1  -37   27   14 f   4.0280   1.2080   3.6550   1.6260   4.4020   1.7860 -0.7472000 2.416000 
1 1 1  -37   27   15 o   3.3910   1.1080   3.5920   1.6070   3.1910   1.5240 0.4010000 2.215000 
1 1 1  -37   27   16 o   11.460   0.9177   13.710   1.0130   9.2080   1.5300 4.505000 1.835000 
1 1 1  -37   27   17 o   2.7260   0.9503   2.9020   1.4120   2.5500   1.2720 0.3526000 1.901000 
1 1 1  -37   27   18 o   2.9880   1.0040   3.0970   1.4540   2.8800   1.3830 0.2170000 2.007000 
1 1 1  -37   27   19 o   2.6800   0.9239   2.5800   1.2670   2.7790   1.3450 -0.1993000 1.848000 
1 1 1  -37   27   20 o   1.8630   0.9696  ?   ?    1.8630   0.9696      ?      ? 
1 1 1  -37   29    1 o   4.2410   1.2730   3.4340   1.6050   5.0490   1.9760 -1.615000 2.546000 
1 1 1  -37   29    2 o   6.2830   1.2720   8.0720   1.7090   4.4950   1.8850 3.578000 2.544000 
1 1 1  -37   29    3 f   5.6340   1.4020   5.1160   1.9440   6.1520   2.0200 -1.036000 2.803000 
1 1 1  -37   29    4 o   4.4950   1.3170   5.1880   1.9270   3.8020   1.7950 1.385000 2.634000 
1 1 1  -37   29    5 o   3.4820   1.1400   3.8370   1.7110   3.1260   1.5060 0.7104000 2.279000 
1 1 1  -37   29    6 o   6.7730   1.3070   8.0210   1.6780   5.5260   2.0040 2.495000 2.614000 
1 1 1  -37   29    7 o   4.7010   1.2650   5.8860   1.9320   3.5160   1.6330 2.369000 2.530000 
1 1 1  -37   29    8 o   3.1050   1.0510   3.0440   1.4620   3.1670   1.5110 -0.1231000 2.103000 
1 1 1  -37   29    9 o   2.7730   0.9629   2.9930   1.4440   2.5540   1.2750 0.4389000 1.926000 
1 1 1  -37   29   10 o   2.7720   0.9629   2.6140   1.2970   2.9290   1.4230 -0.3151000 1.926000 
1 1 1  -37   29   11 o   3.1020   1.0430   2.6230   1.3000   3.5810   1.6310 -0.9583000 2.085000 
1 1 1  -37   29   12 o   5.1510   1.2940   5.3850   1.8400   4.9180   1.8210 0.4667000 2.589000 
1 1 1  -37   29   13 o   3.0010   1.0070   3.1920   1.4850   2.8100   1.3600 0.3815000 2.014000 
1 1 1  -37   29   14 o   2.8500   0.9705   2.9810   1.4180   2.7190   1.3260 0.2624000 1.941000 
1 1 1  -37   29   15 o   3.0100   1.0070   2.5770   1.2660   3.4430   1.5660 -0.8657000 2.014000 
1 1 1  -37   31    1 f   2.1660   0.7749   2.2860   1.1470   2.0470   1.0430 0.2387000 1.550000 
1 1 1  -37   31    2 o   2.9660   0.9993   2.9670   1.4090   2.9650   1.4170 0.2085000E-02 1.999000 
1 1 1  -37   31    3 o   3.4260   1.1010   3.6740   1.6190   3.1770   1.4910 0.4974000 2.201000 
1 1 1  -37   31    4 o   2.7330   0.9396   2.9390   1.4010   2.5270   1.2520 0.4118000 1.879000 
1 1 1  -37   31    5 o   2.7050   0.9291   2.9100   1.3870   2.4990   1.2360 0.4106000 1.858000 
1 1 1  -37   31    6 o   2.7050   0.9313   2.6640   1.2990   2.7450   1.3350 -0.8100000E-01 1.863000 
1 1 1  -37   31    7 o   2.9130   0.9844   2.9480   1.4020   2.8780   1.3830 0.6951000E-01 1.969000 
1 1 1  -37   31    8 o   1.9860   1.0320   1.9860   1.0320  ?   ?       ?      ? 
1 1 1  -36    0    1 o   17.850   0.5623   17.850   0.5623   17.850   0.5623 0.000000 0.000000 
1 1 1  -36    0    2 o   61.950   0.6525   61.950   0.6525   61.950   0.6525 -0.000000 0.000000 
1 1 1  -36    0    3 o   36.580   0.5287   36.580   0.5287   36.580   0.5287 -0.000000 0.000000 
1 1 1  -36    0    7 o   34.200   0.4026   34.200   0.4026   34.200   0.4026 -0.000000 0.000000 
1 1 1  -36    0    8 o   33.000   0.3519   33.000   0.3519   33.000   0.3519 -0.000000 0.000000 
1 1 1  -36    0    9 o   31.500   0.5010   31.500   0.5010   31.500   0.5010 -0.000000 0.000000 
1 1 1  -36    0   10 o   15.870   0.4216   15.870   0.4216   15.870   0.4216 0.000000 0.000000 
1 1 1  -36    0   11 o   29.880   0.4202   29.880   0.4202   29.880   0.4202 0.000000 0.000000 
1 1 1  -36    0   12 f   56.780   0.5328   56.780   0.5328   56.780   0.5328 0.000000 0.000000 
1 1 1  -36    0   13 o   22.840   0.5380   22.840   0.5380   22.840   0.5380 0.000000 0.000000 
1 1 1  -36    0   14 o   35.700   0.4004   35.700   0.4004   35.700   0.4004 -0.000000 0.000000 
1 1 1  -36    0   15 o   24.590   0.4008   24.590   0.4008   24.590   0.4008 -0.000000 0.000000 
1 1 1  -36    0   16 o   8.6630   0.9580   8.6630   0.9580   8.6630   0.9580 -0.000000 0.000000 
1 1 1  -36    0   17 o   3.6950   1.8460   3.6950   1.8460   3.6950   1.8460 -0.000000 0.000000 
1 1 1  -36    0   18 o   17.510   0.5174   17.510   0.5174   17.510   0.5174 0.000000 0.000000 
1 1 1  -36    0   19 o   21.050   0.4533   21.050   0.4533   21.050   0.4533 -0.000000 0.000000 
1 1 1  -36    0   20 o   1.5140   1.0900   1.5140   1.0900   1.5140   1.0900 0.000000 0.000000 
1 1 1  -36    0   21 o   10.660   0.8047   10.660   0.8047   10.660   0.8047 -0.000000 0.000000 
1 1 1  -36    0   23 o   11.830   0.7123   11.830   0.7123   11.830   0.7123 0.000000 0.000000 
1 1 1  -36    0   24 o   1.7750   1.2390   1.7750   1.2390   1.7750   1.2390 0.000000 0.000000 
1 1 1  -36    0   25 f   2.8520   1.6710   2.8520   1.6710   2.8520   1.6710 -0.000000 0.000000 
1 1 1  -36    0   26 o   18.280   0.5163   18.280   0.5163   18.280   0.5163 0.000000 0.000000 
1 1 1  -36    0   27 f   19.510   0.7653   19.510   0.7653   19.510   0.7653 -0.000000 0.000000 
1 1 1  -36    0   28 o   1.6740   1.2260   1.6740   1.2260   1.6740   1.2260 -0.000000 0.000000 
1 1 1  -36    0   29 o   13.210   1.1110   13.210   1.1110   13.210   1.1110 -0.000000 0.000000 
1 1 1  -36    0   30 o   12.060   1.2620   12.060   1.2620   12.060   1.2620 0.000000 0.000000 
1 1 1  -36    0   31 o   2.3280   1.6410   2.3280   1.6410   2.3280   1.6410 -0.000000 0.000000 
1 1 1  -36    0   32 o   2.2570   1.5430   2.2570   1.5430   2.2570   1.5430 -0.000000 0.000000 
1 1 1  -36    0   33 o   16.370   0.7437   16.370   0.7437   16.370   0.7437 0.000000 0.000000 
1 1 1  -36    0   34 o   4.7070   2.3850   4.7070   2.3850   4.7070   2.3850 -0.000000 0.000000 
1 1 1  -36    0   35 o   13.400   1.2690   13.400   1.2690   13.400   1.2690 0.000000 0.000000 
1 1 1  -36    0   36 o   6.0970   2.1260   6.0970   2.1260   6.0970   2.1260 0.000000 0.000000 
1 1 1  -36    2    1 o   21.890   0.2879   22.080   0.4139   21.700   0.4002 0.3775000 0.5757000 
1 1 1  -36    2    2 o   28.050   0.3313   31.160   0.4875   24.930   0.4488 6.222000 0.6626000 
1 1 1  -36    2    3 o   58.430   0.4076   56.940   0.6028   59.930   0.5488 -2.986000 0.8152000 
1 1 1  -36    2    4 o   86.900   0.5951   87.190   0.7822   86.600   0.8970 0.5898000 1.190000 
1 1 1  -36    2    5 o   37.790   0.3775   35.380   0.4838   40.200   0.5797 -4.818000 0.7550000 
1 1 1  -36    2    6 o   42.840   0.2902   43.070   0.4120   42.610   0.4089 0.4550000 0.5805000 
1 1 1  -36    2    7 f   55.730   0.4211   56.640   0.6058   54.820   0.5850 1.815000 0.8422000 
1 1 1  -36    2    8 o  114.300   0.8361  115.200   1.1920  113.400   1.1730 1.789000 1.672000 
1 1 1  -36    2    9 o   45.270   0.3552   44.730   0.5040   45.810   0.5007 -1.082000 0.7104000 
1 1 1  -36    2   10 o   34.750   0.2823   34.410   0.3754   35.090   0.4217 -0.6867000 0.5646000 
1 1 1  -36    2   11 o   39.350   0.3245   39.360   0.4600   39.350   0.4579 0.1083000E-01 0.6491000 
1 1 1  -36    2   12 o   68.030   0.5075   67.880   0.7157   68.180   0.7198 -0.3029000 1.015000 
1 1 1  -36    2   13 o   22.730   0.2820   22.600   0.4031   22.850   0.3946 -0.2480000 0.5641000 
1 1 1  -36    2   14 o   26.790   0.3278   26.920   0.4683   26.660   0.4589 0.2621000 0.6556000 
1 1 1  -36    2   15 o   55.290   0.3722   55.110   0.5259   55.470   0.5268 -0.3607000 0.7444000 
1 1 1  -36    2   16 o   30.400   0.2865   30.920   0.4078   29.880   0.4025 1.045000 0.5730000 
1 1 1  -36    2   17 o   29.570   0.2895   29.570   0.4094   29.570   0.4094 -0.4629000E-02 0.5790000 
1 1 1  -36    2   18 o   7.7360   0.7796   7.3410   1.1460   8.1310   1.0580 -0.7897000 1.559000 
1 1 1  -36    2   19 o   44.250   0.3246   44.340   0.4600   44.150   0.4582 0.1920000 0.6493000 
1 1 1  -36    2   20 o   16.100   0.3900   16.180   0.5493   16.020   0.5538 0.1592000 0.7800000 
1 1 1  -36    2   21 o   22.240   0.3577   21.950   0.5193   22.520   0.4921 -0.5730000 0.7154000 
1 1 1  -36    2   22 o   9.4160   0.7503   9.2790   0.9382   9.5530   1.1710 -0.2739000 1.501000 
1 1 1  -36    2   23 o   27.170   0.3354   27.370   0.4574   26.970   0.4907 0.3990000 0.6708000 
1 1 1  -36    2   24 o   8.4400   0.7631   8.3130   0.9805   8.5660   1.1700 -0.2525000 1.526000 
1 1 1  -36    2   25 o   11.630   0.6278   11.110   0.7444   12.160   1.0110 -1.059000 1.256000 
1 1 1  -36    2   26 f   22.130   0.6043   22.490   0.5179   21.780   1.0920 0.7077000 1.209000 
1 1 1  -36    2   27 o   4.5380   1.2670   4.1640   1.6730   4.9130   1.9050 -0.7493000 2.535000 
1 1 1  -36    2   28 o   10.150   0.7189   9.8150   0.9545   10.480   1.0750 -0.6620000 1.438000 
1 1 1  -36    2   29 o   19.170   0.3962   19.350   0.5449   18.990   0.5753 0.3564000 0.7924000 
1 1 1  -36    2   30 o   5.9620   1.0830   4.2970   1.6510   7.6270   1.4040 -3.330000 2.167000 
1 1 1  -36    2   31 o   3.7800   1.1550   3.5130   1.5990   4.0480   1.6680 -0.5353000 2.311000 
1 1 1  -36    2   32 o   9.6080   1.1250   8.8750   1.9310   10.340   1.1530 -1.467000 2.250000 
1 1 1  -36    2   33 o   13.920   0.7850   13.450   1.3200   14.390   0.8505 -0.9368000 1.570000 
1 1 1  -36    2   34 o   3.9920   1.2170   3.0020   1.4830   4.9830   1.9300 -1.981000 2.434000 
1 1 1  -36    2   35 o   7.1760   1.3260   6.3430   1.9740   8.0090   1.7710 -1.666000 2.652000 
1 1 1  -36    2   36 o   3.7260   1.1410   3.0280   1.4350   4.4230   1.7740 -1.395000 2.282000 
1 1 1  -36    4    1 o   34.830   0.3547   36.450   0.5351   33.200   0.4656 3.249000 0.7093000 
1 1 1  -36    4    2 o   44.270   0.6303   44.760   0.8908   43.780   0.8920 0.9800000 1.261000 
1 1 1  -36    4    3 o   36.260   0.4150   36.490   0.5808   36.030   0.5929 0.4643000 0.8300000 
1 1 1  -36    4    4 o   23.030   0.4124   22.800   0.5884   23.250   0.5781 -0.4538000 0.8249000 
1 1 1  -36    4    5 o   47.160   0.4658   47.660   0.6658   46.650   0.6516 1.010000 0.9316000 
1 1 1  -36    4    6 o   32.190   0.5511   32.500   0.7774   31.890   0.7814 0.6048000 1.102000 
1 1 1  -36    4    7 o   74.360   0.7840   74.690   1.3640   74.030   0.7728 0.6590000 1.568000 
1 1 1  -36    4    8 o   55.840   0.4195   55.880   0.5947   55.810   0.5918 0.6732000E-01 0.8390000 
1 1 1  -36    4    9 o   84.490   0.7630   83.290   1.0640   85.680   1.0940 -2.392000 1.526000 
1 1 1  -36    4   10 o   34.360   0.2952   34.590   0.4533   34.140   0.3782 0.4538000 0.5903000 
1 1 1  -36    4   11 o   17.100   0.3178   17.040   0.4415   17.160   0.4572 -0.1244000 0.6355000 
1 1 1  -36    4   12 o   9.6300   0.5558   9.7860   0.7583   9.4750   0.8128 0.3107000 1.112000 
1 1 1  -36    4   13 o   47.290   0.3317   47.440   0.4719   47.140   0.4663 0.3020000 0.6634000 
1 1 1  -36    4   14 o   20.060   0.3952   20.610   0.5727   19.510   0.5447 1.100000 0.7904000 
1 1 1  -36    4   15 o   27.850   0.3477   27.870   0.5008   27.830   0.4824 0.3832000E-01 0.6954000 
1 1 1  -36    4   16 o   31.180   0.2902   31.050   0.4117   31.310   0.4092 -0.2593000 0.5805000 
1 1 1  -36    4   17 o   23.560   0.3129   23.370   0.4472   23.750   0.4377 -0.3809000 0.6257000 
1 1 1  -36    4   18 o   20.270   0.3358   19.970   0.4792   20.570   0.4704 -0.6010000 0.6715000 
1 1 1  -36    4   19 o   40.650   0.3134   40.670   0.4448   40.640   0.4416 0.3133000E-01 0.6268000 
1 1 1  -36    4   20 o   47.450   0.5576   47.640   0.5602   47.270   0.9643 0.3645000 1.115000 
1 1 1  -36    4   21 o   20.910   0.4056   20.580   0.4521   21.250   0.6736 -0.6759000 0.8113000 
1 1 1  -36    4   22 o   11.210   0.6571   11.140   0.7389   11.280   1.0870 -0.1384000 1.314000 
1 1 1  -36    4   23 o   23.390   0.3913   23.270   0.4679   23.500   0.6272 -0.2286000 0.7825000 
1 1 1  -36    4   24 o   43.850   0.3557   43.790   0.4625   43.900   0.5406 -0.1131000 0.7114000 
1 1 1  -36    4   25 o   17.950   0.4300   17.910   0.5671   18.000   0.6465 -0.8735000E-01 0.8600000 
1 1 1  -36    4   26 o   16.440   0.4590   15.580   0.6353   17.310   0.6628 -1.732000 0.9181000 
1 1 1  -36    4   27 o   31.200   0.3597   31.550   0.5123   30.850   0.5050 0.6976000 0.7194000 
1 1 1  -36    4   28 o   19.180   0.4466   18.790   0.6405   19.570   0.6226 -0.7711000 0.8932000 
1 1 1  -36    4   29 o   13.540   0.5240   14.090   0.7040   12.990   0.7763 1.105000 1.048000 
1 1 1  -36    4   30 o   24.610   0.3598   24.640   0.5107   24.570   0.5071 0.7144000E-01 0.7197000 
1 1 1  -36    4   31 o   11.050   0.7210   10.110   1.0870   11.990   0.9475 -1.875000 1.442000 
1 1 1  -36    4   32 o   17.600   0.4910   17.950   0.6724   17.250   0.7156 0.6954000 0.9820000 
1 1 1  -36    4   33 o   3.4690   1.1250   3.7550   1.6910   3.1840   1.4860 0.5713000 2.251000 
1 1 1  -36    4   34 f   5.3880   1.3770   4.7990   1.9220   5.9780   1.9710 -1.178000 2.754000 
1 1 1  -36    4   35 o   2.8720   1.0160   3.0030   1.5140   2.7400   1.3560 0.2627000 2.032000 
1 1 1  -36    4   36 o   4.1710   1.2320   3.5000   1.6720   4.8430   1.8110 -1.343000 2.465000 
1 1 1  -36    6    1 o   40.020   0.3103   40.320   0.4624   39.720   0.4141 0.5991000 0.6207000 
1 1 1  -36    6    2 o   45.770   0.6866  ?   ?    45.770   0.6866      ?      ? 
1 1 1  -36    6    3 o   75.570   0.6948   75.010   0.9747   76.130   0.9906 -1.123000 1.390000 
1 1 1  -36    6    4 o   41.320   0.4485   41.610   0.6356   41.030   0.6330 0.5817000 0.8970000 
1 1 1  -36    6    5 o   52.420   0.7249   52.420   0.7249  ?   ?       ?      ? 
1 1 1  -36    6    6 o   58.470   0.5573   59.500   0.7999   57.440   0.7761 2.055000 1.115000 
1 1 1  -36    6    7 o   32.240   0.4222   32.430   0.5976   32.050   0.5967 0.3823000 0.8445000 
1 1 1  -36    6    8 o   13.250   0.3342   14.280   0.4298   12.220   0.5120 2.066000 0.6685000 
1 1 1  -36    6    9 o   68.250   0.5129   68.250   0.7259   68.250   0.7247 0.2090000E-02 1.026000 
1 1 1  -36    6   10 o   51.180   0.3774   51.260   0.5717   51.100   0.4930 0.1584000 0.7548000 
1 1 1  -36    6   11 o   66.940   0.4371   66.830   0.6166   67.050   0.6197 -0.2135000 0.8742000 
1 1 1  -36    6   12 o   61.640   0.4088   61.640   0.5772   61.640   0.5791 -0.4646000E-02 0.8176000 
1 1 1  -36    6   13 o   20.510   0.3275   20.090   0.4593   20.940   0.4671 -0.8496000 0.6550000 
1 1 1  -36    6   14 o   7.0310   1.1200   6.5170   1.7020   7.5460   1.4570 -1.030000 2.240000 
1 1 1  -36    6   15 o   33.300   0.3948   33.290   0.5061   33.300   0.6062 -0.6489000E-02 0.7897000 
1 1 1  -36    6   16 o   9.4320   0.8893   10.400   0.8404   8.4660   1.5680 1.932000 1.779000 
1 1 1  -36    6   17 o   24.780   0.3827   24.780   0.4319   24.780   0.6319 0.2338000E-02 0.7654000 
1 1 1  -36    6   18 o   33.900   0.3925   33.710   0.4928   34.080   0.6111 -0.3755000 0.7850000 
1 1 1  -36    6   19 o   28.020   0.4995   28.280   0.5002   27.770   0.8648 0.5106000 0.9990000 
1 1 1  -36    6   20 o   13.860   0.4457   13.910   0.6157   13.810   0.6445 0.1015000 0.8913000 
1 1 1  -36    6   21 o   37.680   0.3033   37.820   0.4284   37.540   0.4293 0.2858000 0.6065000 
1 1 1  -36    6   22 o   31.330   0.2956   31.560   0.4152   31.090   0.4210 0.4711000 0.5913000 
1 1 1  -36    6   23 o   17.930   0.4016   18.220   0.5249   17.650   0.6079 0.5758000 0.8032000 
1 1 1  -36    6   24 o   26.740   0.3491   26.220   0.4756   27.250   0.5111 -1.028000 0.6982000 
1 1 1  -36    6   25 o   18.930   0.4091   18.460   0.5581   19.400   0.5984 -0.9414000 0.8183000 
1 1 1  -36    6   26 o   26.220   0.3116   25.930   0.4345   26.510   0.4468 -0.5754000 0.6233000 
1 1 1  -36    6   27 o   35.470   0.3729   35.210   0.5304   35.720   0.5244 -0.5144000 0.7458000 
1 1 1  -36    6   28 o   8.6840   0.9709   7.3840   1.5550   9.9840   1.1630 -2.600000 1.942000 
1 1 1  -36    6   29 o   4.2420   1.1380   3.7810   1.5460   4.7020   1.6710 -0.9208000 2.277000 
1 1 1  -36    6   30 o   11.710   0.6493   11.440   0.9143   11.970   0.9224 -0.5267000 1.299000 
1 1 1  -36    6   31 o   3.8340   1.1510   3.6130   1.5640   4.0550   1.6880 -0.4418000 2.301000 
1 1 1  -36    6   32 o   3.2990   1.0610   3.5200   1.5490   3.0790   1.4500 0.4412000 2.121000 
1 1 1  -36    6   33 o   6.8590   1.3410   6.9080   1.8750   6.8100   1.9170 0.9749000E-01 2.681000 
1 1 1  -36    6   34 o   3.9340   1.1800   3.6080   1.5940   4.2610   1.7400 -0.6532000 2.360000 
1 1 1  -36    6   35 f   11.410   0.8525   12.210   1.1120   10.620   1.2920 1.588000 1.705000 
1 1 1  -36    8    1 o   27.850   0.4157   29.040   0.4884   26.660   0.6728 2.381000 0.8314000 
1 1 1  -36    8    2 o   60.590   0.6477   60.590   0.6477  ?   ?       ?      ? 
1 1 1  -36    8    3 o   60.800   0.6154   61.440   0.5714   60.160   1.0900 1.283000 1.231000 
1 1 1  -36    8    4 o   16.490   0.9335   16.490   0.9335  ?   ?       ?      ? 
1 1 1  -36    8    5 o   25.210   0.3905   25.530   0.6666   24.900   0.4068 0.6310000 0.7809000 
1 1 1  -36    8    6 o   34.210   0.3071   34.070   0.3736   34.350   0.4875 -0.2838000 0.6142000 
1 1 1  -36    8    7 o   15.400   0.3515   15.470   0.4125   15.330   0.5693 0.1409000 0.7030000 
1 1 1  -36    8    8 o   54.940   0.4303   55.560   0.6103   54.320   0.6068 1.235000 0.8606000 
1 1 1  -36    8    9 o   21.270   0.4579   21.480   0.4695   21.070   0.7862 0.4103000 0.9157000 
1 1 1  -36    8   10 o   32.940   0.4004   33.430   0.4676   32.440   0.6500 0.9926000 0.8007000 
1 1 1  -36    8   11 o   60.270   0.4999   60.000   0.5668   60.540   0.8236 -0.5401000 0.9998000 
1 1 1  -36    8   12 o   39.270   0.3875   39.570   0.4373   38.960   0.6399 0.6066000 0.7751000 
1 1 1  -36    8   13 o   11.240   0.7383   11.160   0.7738   11.330   1.2580 -0.1736000 1.477000 
1 1 1  -36    8   14 o   33.340   0.4082   33.490   0.5214   33.200   0.6282 0.2887000 0.8164000 
1 1 1  -36    8   15 o   11.360   0.5933   11.380   0.7910   11.350   0.8846 0.3531000E-01 1.187000 
1 1 1  -36    8   16 o   19.650   0.3912   19.350   0.5821   19.960   0.5229 -0.6122000 0.7825000 
1 1 1  -36    8   17 o   4.3910   1.1810   3.8720   1.5920   4.9110   1.7450 -1.039000 2.362000 
1 1 1  -36    8   18 o   12.240   0.5245   12.590   0.6884   11.890   0.7915 0.6999000 1.049000 
1 1 1  -36    8   19 o   30.160   0.2999   30.050   0.4242   30.260   0.4242 -0.2123000 0.5999000 
1 1 1  -36    8   20 o   23.480   0.3138   23.420   0.4388   23.540   0.4486 -0.1153000 0.6275000 
1 1 1  -36    8   21 f   18.990   0.3538   18.860   0.4877   19.120   0.5125 -0.2519000 0.7075000 
1 1 1  -36    8   22 o   29.190   0.3279   29.620   0.4264   28.760   0.4982 0.8605000 0.6558000 
1 1 1  -36    8   23 o   26.560   0.4148   27.900   0.5316   25.230   0.6369 2.668000 0.8296000 
1 1 1  -36    8   24 o   30.670   0.3076   30.900   0.4290   30.440   0.4408 0.4589000 0.6151000 
1 1 1  -36    8   25 o   9.9110   0.6477   9.8620   0.8642   9.9590   0.9649 -0.9649000E-01 1.295000 
1 1 1  -36    8   26 o   28.680   0.3161   28.900   0.4323   28.450   0.4613 0.4476000 0.6322000 
1 1 1  -36    8   27 o   5.2290   1.2670   5.2010   1.7720   5.2560   1.8120 -0.5579000E-01 2.535000 
1 1 1  -36    8   28 o   9.2010   0.9728   7.5030   1.5930   10.900   1.1170 -3.396000 1.946000 
1 1 1  -36    8   29 f   18.010   0.4361   18.080   0.5935   17.940   0.6391 0.1382000 0.8722000 
1 1 1  -36    8   30 o   5.5480   1.1420   3.8860   1.6160   7.2100   1.6140 -3.324000 2.284000 
1 1 1  -36    8   31 o   10.990   0.7626   11.810   0.9621   10.180   1.1830 1.635000 1.525000 
1 1 1  -36    8   32 o   4.3000   1.2650   3.5380   1.6370   5.0610   1.9280 -1.523000 2.529000 
1 1 1  -36    8   33 o   15.750   0.5689   15.160   0.8203   16.350   0.7884 -1.192000 1.138000 
1 1 1  -36    8   34 o   4.4880   1.2010   5.5230   1.8260   3.4520   1.5600 2.071000 2.402000 
1 1 1  -36    8   35 o   2.2390   0.8024   2.1880   1.1110   2.2900   1.1580 -0.1020000 1.605000 
1 1 1  -36   10    1 o   30.800   0.3412   30.710   0.4110   30.880   0.5448 -0.1726000 0.6824000 
1 1 1  -36   10    2 o   32.120   0.5449   31.260   0.5129   32.980   0.9616 -1.718000 1.090000 
1 1 1  -36   10    3 o   53.420   0.4887   54.020   0.6131   52.820   0.7612 1.196000 0.9774000 
1 1 1  -36   10    4 o   35.390   0.4221   35.870   0.4994   34.920   0.6806 0.9557000 0.8442000 
1 1 1  -36   10    5 o   34.040   0.4159   34.220   0.4906   33.870   0.6717 0.3489000 0.8317000 
1 1 1  -36   10    6 o   19.660   0.7083   20.090   0.5663   19.220   1.2980 0.8728000 1.417000 
1 1 1  -36   10    7 o   22.300   0.5390   22.300   0.5390  ?   ?       ?      ? 
1 1 1  -36   10    8 o   46.640   0.4722   46.640   0.4722  ?   ?       ?      ? 
1 1 1  -36   10    9 o   23.210   0.4068   24.560   0.4355   21.870   0.6872 2.697000 0.8135000 
1 1 1  -36   10   10 o   42.500   0.3990   43.180   0.4627   41.830   0.6502 1.346000 0.7980000 
1 1 1  -36   10   11 o   18.940   0.4932   19.400   0.5297   18.480   0.8320 0.9191000 0.9864000 
1 1 1  -36   10   12 o   24.200   0.4123   23.660   0.4766   24.750   0.6730 -1.094000 0.8247000 
1 1 1  -36   10   13 o   54.520   0.4499   55.240   0.6418   53.790   0.6306 1.451000 0.8998000 
1 1 1  -36   10   14 o   18.460   0.6084   17.340   1.0020   19.580   0.6908 -2.236000 1.217000 
1 1 1  -36   10   15 o   28.480   0.3741   28.320   0.5157   28.650   0.5422 -0.3309000 0.7483000 
1 1 1  -36   10   16 o   10.960   0.6256   10.410   0.9001   11.500   0.8692 -1.090000 1.251000 
1 1 1  -36   10   17 o   13.960   0.4807   13.700   0.6716   14.220   0.6878 -0.5210000 0.9613000 
1 1 1  -36   10   18 o   14.160   0.4684   14.510   0.6417   13.810   0.6826 0.6979000 0.9368000 
1 1 1  -36   10   19 o   41.340   0.3237   41.400   0.4581   41.290   0.4575 0.1098000 0.6474000 
1 1 1  -36   10   20 f   26.400   0.3108   26.320   0.4348   26.470   0.4441 -0.1516000 0.6215000 
1 1 1  -36   10   21 o   22.360   0.3761   22.530   0.5127   22.200   0.5504 0.3296000 0.7522000 
1 1 1  -36   10   22 o   8.3430   0.9857   8.8130   1.1100   7.8720   1.6290 0.9408000 1.971000 
1 1 1  -36   10   23 o   27.790   0.3244   27.840   0.4677   27.740   0.4496 0.1046000 0.6487000 
1 1 1  -36   10   24 o   8.6960   0.7561   8.5760   1.0310   8.8150   1.1070 -0.2391000 1.512000 
1 1 1  -36   10   25 o   5.0170   1.0580   6.1740   1.4120   3.8600   1.5760 2.313000 2.116000 
1 1 1  -36   10   26 o   2.8570   0.9429   2.5610   1.2240   3.1530   1.4350 -0.5927000 1.886000 
1 1 1  -36   10   27 f   4.1990   1.2240   4.1840   1.7190   4.2150   1.7440 -0.3106000E-01 2.449000 
1 1 1  -36   10   28 o   12.840   0.5918   12.660   0.8172   13.010   0.8562 -0.3521000 1.184000 
1 1 1  -36   10   29 o   7.0400   1.1000   7.6400   1.4080   6.4400   1.6910 1.200000 2.200000 
1 1 1  -36   10   30 f   5.8940   1.2590   6.0030   1.7590   5.7860   1.8030 0.2166000 2.519000 
1 1 1  -36   10   31 o   4.4980   1.3320   4.3730   1.8730   4.6230   1.8940 -0.2504000 2.664000 
1 1 1  -36   10   32 o   2.7660   0.9522   2.7700   1.3460   2.7610   1.3470 0.9190000E-02 1.904000 
1 1 1  -36   10   33 f   2.7480   0.9451   2.5480   1.2580   2.9490   1.4100 -0.4007000 1.890000 
1 1 1  -36   10   34 f   3.0200   1.0130   3.0810   1.4530   2.9600   1.4130 0.1210000 2.027000 
1 1 1  -36   12    1 o   36.580   0.3918   36.120   0.5421   37.030   0.5657 -0.9153000 0.7835000 
1 1 1  -36   12    2 o   47.880   0.4047   46.360   0.5475   49.410   0.5961 -3.052000 0.8094000 
1 1 1  -36   12    3 o   62.440   0.4193   62.630   0.5930   62.260   0.5930 0.3714000 0.8386000 
1 1 1  -36   12    4 o   24.730   0.3827   23.960   0.5028   25.500   0.5771 -1.542000 0.7654000 
1 1 1  -36   12    5 o   9.6840   0.7423   8.6200   1.0820   10.750   1.0160 -2.127000 1.485000 
1 1 1  -36   12    6 o   24.910   0.3352   24.550   0.4544   25.260   0.4928 -0.7103000 0.6703000 
1 1 1  -36   12    7 o   31.150   0.3144   30.700   0.4287   31.600   0.4599 -0.9075000 0.6287000 
1 1 1  -36   12    8 f   27.520   0.3279   27.080   0.4452   27.970   0.4815 -0.8904000 0.6558000 
1 1 1  -36   12    9 o   21.710   0.4193   21.500   0.5610   21.920   0.6232 -0.4242000 0.8385000 
1 1 1  -36   12   10 o   32.800   0.3630   33.430   0.4919   32.160   0.5338 1.264000 0.7259000 
1 1 1  -36   12   11 o   9.6980   1.2970   10.950   1.6320   8.4440   2.0160 2.508000 2.593000 
1 1 1  -36   12   12 o   28.170   0.6527   28.310   0.7506   28.030   1.0680 0.2804000 1.305000 
1 1 1  -36   12   13 o   10.600   0.8501   9.7870   1.0190   11.410   1.3610 -1.620000 1.700000 
1 1 1  -36   12   14 o   48.620   0.4405   48.970   0.5085   48.270   0.7196 0.6969000 0.8811000 
1 1 1  -36   12   15 o   11.490   0.8216   12.870   0.7598   10.110   1.4570 2.761000 1.643000 
1 1 1  -36   12   16 o   40.250   0.4010   40.240   0.4606   40.260   0.6565 -0.2537000E-01 0.8020000 
1 1 1  -36   12   17 o   6.4050   1.1820   7.3340   1.2700   5.4760   1.9930 1.858000 2.364000 
1 1 1  -36   12   18 o   16.740   0.4229   15.940   0.6006   17.550   0.5956 -1.614000 0.8458000 
1 1 1  -36   12   19 o   42.130   0.3800   42.180   0.5362   42.080   0.5386 0.1028000 0.7600000 
1 1 1  -36   12   20 o   16.450   0.4683   16.240   0.6452   16.670   0.6790 -0.4317000 0.9366000 
1 1 1  -36   12   21 o   14.250   0.5111   13.350   0.7163   15.140   0.7292 -1.782000 1.022000 
1 1 1  -36   12   22 f   20.870   0.3885   20.930   0.5160   20.810   0.5808 0.1150000 0.7769000 
1 1 1  -36   12   23 o   13.430   0.5060   14.430   0.6292   12.440   0.7927 1.987000 1.012000 
1 1 1  -36   12   24 o   12.610   0.5573   12.500   0.7544   12.730   0.8206 -0.2288000 1.115000 
1 1 1  -36   12   25 o   7.8060   0.9788   9.0550   1.0930   6.5560   1.6240 2.498000 1.958000 
1 1 1  -36   12   26 o   28.730   0.4031   29.000   0.5767   28.460   0.5634 0.5436000 0.8063000 
1 1 1  -36   12   27 f   3.2820   1.0860   3.5760   1.6230   2.9870   1.4420 0.5892000 2.171000 
1 1 1  -36   12   28 o   9.6040   0.8257   9.9600   1.1070   9.2490   1.2260 0.7119000 1.651000 
1 1 1  -36   12   29 o   6.1660   1.3450   5.3110   1.9740   7.0200   1.8260 -1.709000 2.690000 
1 1 1  -36   12   30 o   3.0200   1.0370   3.0340   1.4710   3.0060   1.4610 0.2843000E-01 2.074000 
1 1 1  -36   12   31 o   8.3860   1.0720   9.6550   1.2520   7.1170   1.7400 2.537000 2.144000 
1 1 1  -36   12   32 o   6.8560   1.2300   6.4110   1.7840   7.3010   1.6930 -0.8899000 2.460000 
1 1 1  -36   12   33 o   6.2590   1.2380   5.6640   1.7920   6.8540   1.7090 -1.190000 2.476000 
1 1 1  -36   12   34 o   2.3670   1.2040   2.3670   1.2040  ?   ?       ?      ? 
1 1 1  -36   14    1 o   42.760   0.4002   42.280   0.5445   43.230   0.5867 -0.9539000 0.8004000 
1 1 1  -36   14    2 o   18.040   0.4993   17.210   0.6824   18.880   0.7290 -1.670000 0.9985000 
1 1 1  -36   14    3 o   20.950   0.3709   20.990   0.5127   20.910   0.5362 0.8524000E-01 0.7419000 
1 1 1  -36   14    4 o   12.710   0.6520   13.030   0.7672   12.400   1.0540 0.6297000 1.304000 
1 1 1  -36   14    5 o   18.170   0.4653   17.290   0.6017   19.040   0.7100 -1.752000 0.9307000 
1 1 1  -36   14    6 o   5.5750   1.1950   4.9740   1.6680   6.1750   1.7120 -1.201000 2.390000 
1 1 1  -36   14    7 o   51.150   0.4279   51.280   0.6004   51.020   0.6098 0.2577000 0.8558000 
1 1 1  -36   14    8 o   12.940   0.6799   13.340   0.8846   12.540   1.0330 0.7943000 1.360000 
1 1 1  -36   14    9 o   22.860   0.4258   22.740   0.5860   22.980   0.6178 -0.2423000 0.8515000 
1 1 1  -36   14   10 f   11.610   0.7609   11.740   1.0390   11.490   1.1120 0.2545000 1.522000 
1 1 1  -36   14   11 o   43.670   0.3395   43.770   0.4760   43.570   0.4843 0.1988000 0.6791000 
1 1 1  -36   14   12 o   28.980   0.3543   29.160   0.5224   28.810   0.4787 0.3496000 0.7085000 
1 1 1  -36   14   13 o   25.900   0.3478   26.000   0.4882   25.800   0.4954 0.1911000 0.6955000 
1 1 1  -36   14   14 o   11.400   0.6361   11.410   0.8725   11.390   0.9259 0.2049000E-01 1.272000 
1 1 1  -36   14   15 f   10.190   0.7504   11.870   0.8538   8.5010   1.2340 3.370000 1.501000 
1 1 1  -36   14   16 o   23.780   0.3978   24.210   0.5391   23.340   0.5851 0.8653000 0.7957000 
1 1 1  -36   14   17 o   24.950   0.4331   24.880   0.5256   25.030   0.6886 -0.1566000 0.8663000 
1 1 1  -36   14   18 o   19.530   0.5096   20.470   0.5335   18.590   0.8683 1.883000 1.019000 
1 1 1  -36   14   19 o   21.830   0.4530   22.170   0.4883   21.490   0.7632 0.6860000 0.9060000 
1 1 1  -36   14   20 o   12.930   0.9801   14.370   0.6956   11.480   1.8330 2.895000 1.960000 
1 1 1  -36   14   21 o   24.290   0.5571   24.330   0.5148   24.240   0.9881 0.8862000E-01 1.114000 
1 1 1  -36   14   22 o   3.5630   1.0570   2.6470   1.2620   4.4790   1.6950 -1.832000 2.114000 
1 1 1  -36   14   23 o   7.9740   0.9276   6.9400   1.4080   9.0090   1.2080 -2.069000 1.855000 
1 1 1  -36   14   24 o   16.090   0.4884   15.640   0.6792   16.550   0.7021 -0.9088000 0.9769000 
1 1 1  -36   14   25 o   15.240   0.5262   16.000   0.6737   14.470   0.8084 1.527000 1.052000 
1 1 1  -36   14   26 o   9.1210   1.0890   8.3610   1.6160   9.8810   1.4600 -1.520000 2.178000 
1 1 1  -36   14   27 o   16.080   0.5185   15.950   0.7072   16.200   0.7584 -0.2574000 1.037000 
1 1 1  -36   14   28 f   3.1950   1.0790   2.8330   1.3890   3.5570   1.6520 -0.7240000 2.158000 
1 1 1  -36   14   29 o   10.430   0.8504   10.580   1.1490   10.270   1.2540 0.3143000 1.701000 
1 1 1  -36   14   30 o   16.490   0.5511   17.470   0.7060   15.520   0.8464 1.945000 1.102000 
1 1 1  -36   14   31 o   9.6290   0.9244   10.480   1.1430   8.7740   1.4530 1.710000 1.849000 
1 1 1  -36   14   32 o   3.9860   1.1300   2.7450   1.3340   5.2280   1.8250 -2.482000 2.261000 
1 1 1  -36   14   33 o   2.5740   0.9194   2.4220   1.2220   2.7270   1.3740 -0.3048000 1.839000 
1 1 1  -36   16    1 o   18.140   0.4419   17.920   0.5840   18.360   0.6635 -0.4424000 0.8839000 
1 1 1  -36   16    2 o   24.750   0.3380   24.150   0.4802   25.360   0.4759 -1.209000 0.6761000 
1 1 1  -36   16    3 o   26.650   0.3285   26.560   0.4618   26.740   0.4673 -0.1788000 0.6570000 
1 1 1  -36   16    4 o   3.8750   1.1180   4.0460   1.6100   3.7050   1.5510 0.3415000 2.235000 
1 1 1  -36   16    5 o   4.3280   1.1710   3.7680   1.5640   4.8880   1.7440 -1.120000 2.342000 
1 1 1  -36   16    6 o   20.500   0.3902   20.470   0.5351   20.530   0.5680 -0.5760000E-01 0.7804000 
1 1 1  -36   16    7 o   12.830   0.5713   13.060   0.7612   12.610   0.8521 0.4531000 1.143000 
1 1 1  -36   16    8 o   19.480   0.4017   20.320   0.5310   18.640   0.6029 1.682000 0.8034000 
1 1 1  -36   16    9 o   6.2810   1.1340   6.4350   1.5330   6.1280   1.6710 0.3071000 2.268000 
1 1 1  -36   16   10 o   9.5140   0.7789   9.2960   1.0620   9.7310   1.1400 -0.4356000 1.558000 
1 1 1  -36   16   11 o   35.980   0.3241   36.740   0.4494   35.230   0.4670 1.508000 0.6482000 
1 1 1  -36   16   12 f   12.170   0.6888   12.580   0.8686   11.760   1.0690 0.8238000 1.378000 
1 1 1  -36   16   13 o   28.550   0.3727   28.530   0.5024   28.580   0.5506 -0.5206000E-01 0.7454000 
1 1 1  -36   16   14 o   18.820   0.4749   18.210   0.6724   19.420   0.6707 -1.211000 0.9497000 
1 1 1  -36   16   15 o   3.1340   1.0110   2.8410   1.3360   3.4280   1.5190 -0.5868000 2.023000 
1 1 1  -36   16   16 o   20.120   0.3939   20.490   0.5374   19.750   0.5762 0.7403000 0.7879000 
1 1 1  -36   16   17 o   7.5690   0.9625   6.8790   1.4440   8.2580   1.2730 -1.380000 1.925000 
1 1 1  -36   16   18 o   13.990   0.5285   13.930   0.7287   14.050   0.7657 -0.1273000 1.057000 
1 1 1  -36   16   19 o   3.9780   1.1660   3.8080   1.5960   4.1480   1.6990 -0.3396000 2.331000 
1 1 1  -36   16   20 o   16.790   0.5028   17.070   0.6637   16.500   0.7556 0.5716000 1.006000 
1 1 1  -36   16   21 o   6.8820   1.2240   6.9830   1.5240   6.7820   1.9160 0.2014000 2.448000 
1 1 1  -36   16   22 o   10.470   1.0700   11.840   0.8701   9.1150   1.9540 2.721000 2.139000 
1 1 1  -36   16   23 o   12.300   0.8795   13.230   0.7994   11.370   1.5670 1.854000 1.759000 
1 1 1  -36   16   24 o   13.210   0.8046   13.340   0.8073   13.090   1.3920 0.2465000 1.609000 
1 1 1  -36   16   25 f   3.9120   1.3020   3.7210   1.6680   4.1030   2.0000 -0.3818000 2.605000 
1 1 1  -36   16   26 o   7.9380   1.1610   11.180   1.2870   4.7000   1.9320 6.476000 2.322000 
1 1 1  -36   16   27 o   13.000   0.7399   12.330   0.9882   13.660   1.1010 -1.331000 1.480000 
1 1 1  -36   16   28 o   6.9840   1.2000   5.7180   1.8070   8.2500   1.5790 -2.531000 2.399000 
1 1 1  -36   16   29 o   4.1520   1.2310   4.1110   1.7180   4.1930   1.7650 -0.8159000E-01 2.463000 
1 1 1  -36   16   30 o   2.3740   0.8415   2.5940   1.2800   2.1550   1.0930 0.4391000 1.683000 
1 1 1  -36   16   31 o   4.2290   1.2840   3.7700   1.7160   4.6870   1.9100 -0.9162000 2.568000 
1 1 1  -36   16   32 o   1.8750   0.9755   1.8750   0.9755  ?   ?       ?      ? 
1 1 1  -36   18    1 o   14.930   0.5438   14.550   0.7626   15.310   0.7754 -0.7571000 1.088000 
1 1 1  -36   18    2 o   14.110   0.5714   14.220   0.7917   14.000   0.8240 0.2187000 1.143000 
1 1 1  -36   18    3 o   16.770   0.4866   16.740   0.6806   16.810   0.6957 -0.6774000E-01 0.9733000 
1 1 1  -36   18    4 o   18.820   0.4440   19.140   0.6150   18.500   0.6405 0.6369000 0.8880000 
1 1 1  -36   18    5 o   30.070   0.3697   30.050   0.5017   30.090   0.5432 -0.3807000E-01 0.7395000 
1 1 1  -36   18    6 o   20.890   0.4249   20.480   0.5804   21.300   0.6208 -0.8159000 0.8499000 
1 1 1  -36   18    7 o   25.810   0.3807   25.540   0.5181   26.070   0.5580 -0.5242000 0.7614000 
1 1 1  -36   18    8 o   14.140   0.5886   13.760   0.8104   14.520   0.8539 -0.7683000 1.177000 
1 1 1  -36   18    9 o   19.860   0.4014   19.900   0.5506   19.820   0.5842 0.7415000E-01 0.8028000 
1 1 1  -36   18   10 o   28.020   0.3354   28.050   0.4604   27.990   0.4880 0.6055000E-01 0.6709000 
1 1 1  -36   18   11 o   4.7520   1.1930   4.5510   1.6390   4.9530   1.7350 -0.4020000 2.386000 
1 1 1  -36   18   12 f   8.2270   0.9124   8.4660   1.1660   7.9880   1.4040 0.4777000 1.825000 
1 1 1  -36   18   13 o   16.370   0.4636   16.010   0.6385   16.730   0.6725 -0.7228000 0.9273000 
1 1 1  -36   18   14 o   17.950   0.4393   18.280   0.5806   17.610   0.6593 0.6664000 0.8785000 
1 1 1  -36   18   15 o   12.800   0.5918   13.540   0.7431   12.060   0.9214 1.481000 1.184000 
1 1 1  -36   18   16 o   10.550   0.7379   11.130   0.9565   9.9640   1.1240 1.168000 1.476000 
1 1 1  -36   18   17 o   31.410   0.3770   31.240   0.5186   31.590   0.5473 -0.3490000 0.7540000 
1 1 1  -36   18   18 o   4.2850   1.1720   3.0780   1.4330   5.4920   1.8560 -2.414000 2.345000 
1 1 1  -36   18   19 f   11.770   0.6499   10.730   0.9631   12.800   0.8727 -2.065000 1.300000 
1 1 1  -36   18   20 o   16.130   0.5075   16.910   0.6587   15.360   0.7722 1.549000 1.015000 
1 1 1  -36   18   21 o   9.1060   0.8694   9.7590   1.0620   8.4530   1.3770 1.306000 1.739000 
1 1 1  -36   18   22 o   11.070   0.7404   11.820   0.9424   10.320   1.1420 1.499000 1.481000 
1 1 1  -36   18   23 f   9.2000   1.1270   8.1250   1.7550   10.270   1.4150 -2.149000 2.254000 
1 1 1  -36   18   24 o   3.3600   1.1620   3.6160   1.7400   3.1030   1.5420 0.5134000 2.324000 
1 1 1  -36   18   25 o   6.6680   1.2670   8.5370   1.4260   4.7980   2.0960 3.739000 2.535000 
1 1 1  -36   18   26 o   4.9850   1.4250   4.3010   1.7700   5.6690   2.2340 -1.368000 2.850000 
1 1 1  -36   18   27 o   7.6080   1.3020   9.6770   1.3330   5.5380   2.2360 4.139000 2.604000 
1 1 1  -36   18   28 o   3.3340   1.1370   2.7550   1.3410   3.9120   1.8370 -1.157000 2.274000 
1 1 1  -36   18   29 o   3.5160   1.1380   3.8160   1.6720   3.2150   1.5450 0.6005000 2.277000 
1 1 1  -36   18   30 o   4.3020   1.2850   3.7880   1.7100   4.8160   1.9180 -1.028000 2.570000 
1 1 1  -36   20    1 o   15.040   0.5347   14.380   0.7164   15.700   0.7940 -1.328000 1.069000 
1 1 1  -36   20    2 o   10.080   0.7221   9.4520   1.0540   10.710   0.9876 -1.263000 1.444000 
1 1 1  -36   20    3 o   20.000   0.3933   19.640   0.5500   20.370   0.5623 -0.7237000 0.7865000 
1 1 1  -36   20    4 o   22.710   0.3618   23.020   0.4968   22.410   0.5261 0.6045000 0.7235000 
1 1 1  -36   20    5 o   18.760   0.4291   19.150   0.5600   18.380   0.6502 0.7691000 0.8581000 
1 1 1  -36   20    6 o   16.350   0.4782   17.150   0.6139   15.540   0.7334 1.604000 0.9564000 
1 1 1  -36   20    7 o   40.720   0.3381   40.390   0.4688   41.060   0.4873 -0.6726000 0.6762000 
1 1 1  -36   20    8 o   5.3190   1.1860   4.3430   1.6490   6.2960   1.7060 -1.953000 2.373000 
1 1 1  -36   20    9 o   19.130   0.4236   18.910   0.5768   19.350   0.6206 -0.4432000 0.8472000 
1 1 1  -36   20   10 o   9.2140   0.8292   8.8570   1.1600   9.5710   1.1850 -0.7144000 1.658000 
1 1 1  -36   20   11 o   15.120   0.5197   15.420   0.6784   14.820   0.7874 0.6000000 1.039000 
1 1 1  -36   20   12 o   14.980   0.5293   14.800   0.7171   15.160   0.7787 -0.3619000 1.059000 
1 1 1  -36   20   13 o   16.660   0.4801   16.680   0.6449   16.640   0.7114 0.3875000E-01 0.9602000 
1 1 1  -36   20   14 o   16.700   0.5208   16.840   0.6422   16.550   0.8202 0.2838000 1.042000 
1 1 1  -36   20   15 o   21.470   0.4653   21.760   0.6292   21.180   0.6856 0.5848000 0.9306000 
1 1 1  -36   20   16 o   4.6950   1.2780   4.5580   1.7660   4.8310   1.8490 -0.2730000 2.557000 
1 1 1  -36   20   17 o   20.500   0.4263   20.310   0.5939   20.690   0.6118 -0.3780000 0.8527000 
1 1 1  -36   20   18 o   9.8850   0.8466   10.790   1.0490   8.9840   1.3290 1.801000 1.693000 
1 1 1  -36   20   19 o   3.6440   1.1310   3.2460   1.4910   4.0420   1.7000 -0.7961000 2.261000 
1 1 1  -36   20   20 o   17.160   0.5301   17.590   0.7329   16.740   0.7662 0.8562000 1.060000 
1 1 1  -36   20   21 o   10.710   1.0130   11.480   1.2850   9.9420   1.5680 1.537000 2.027000 
1 1 1  -36   20   22 o   9.9760   1.4190   7.6500   2.3480   12.300   1.5930 -4.652000 2.837000 
1 1 1  -36   20   23 o   12.720   0.7208   11.570   1.0860   13.870   0.9481 -2.296000 1.442000 
1 1 1  -36   20   24 o   7.1540   1.2220   6.7610   1.7890   7.5470   1.6640 -0.7855000 2.443000 
1 1 1  -36   20   25 o   5.1100   1.2800   4.2920   1.7660   5.9290   1.8540 -1.637000 2.561000 
1 1 1  -36   20   26 o   2.7620   0.9503   2.5390   1.2570   2.9840   1.4260 -0.4447000 1.901000 
1 1 1  -36   20   27 o   3.1030   1.0380   3.4280   1.5760   2.7780   1.3510 0.6508000 2.076000 
1 1 1  -36   20   28 o   2.8690   0.9916   2.8300   1.3890   2.9090   1.4160 -0.7885000E-01 1.983000 
1 1 1  -36   22    1 o   6.1820   1.2630   6.0050   1.7080   6.3600   1.8620 -0.3544000 2.527000 
1 1 1  -36   22    2 o   5.8150   1.1760   6.8800   1.5770   4.7490   1.7450 2.131000 2.352000 
1 1 1  -36   22    3 o   8.8860   0.8881   8.2250   1.3410   9.5460   1.1650 -1.321000 1.776000 
1 1 1  -36   22    4 o   27.690   0.3482   27.430   0.4931   27.950   0.4917 -0.5156000 0.6963000 
1 1 1  -36   22    5 o   14.710   0.5628   15.460   0.7204   13.960   0.8648 1.503000 1.126000 
1 1 1  -36   22    6 o   7.7450   1.0370   7.9880   1.3430   7.5010   1.5800 0.4875000 2.074000 
1 1 1  -36   22    7 o   17.110   0.4819   17.030   0.6592   17.180   0.7031 -0.1549000 0.9638000 
1 1 1  -36   22    8 o   6.1310   1.0580   8.3260   1.2970   3.9350   1.6720 4.391000 2.116000 
1 1 1  -36   22    9 o   14.060   0.6362   12.900   0.8515   15.220   0.9454 -2.324000 1.272000 
1 1 1  -36   22   10 o   19.620   0.5174   19.050   0.7134   20.190   0.7495 -1.144000 1.035000 
1 1 1  -36   22   11 o   10.390   0.9242   10.920   1.1880   9.8610   1.4160 1.062000 1.848000 
1 1 1  -36   22   12 o   23.480   0.4547   23.350   0.6268   23.610   0.6587 -0.2687000 0.9093000 
1 1 1  -36   22   13 o   8.1320   1.0960   10.070   1.2540   6.1950   1.7970 3.875000 2.191000 
1 1 1  -36   22   14 o   4.8190   1.2450   4.9320   1.7170   4.7070   1.8020 0.2257000 2.489000 
1 1 1  -36   22   15 o   12.730   0.6651   13.570   0.8046   11.890   1.0590 1.673000 1.330000 
1 1 1  -36   22   16 o   8.9760   0.9442   9.4530   1.1870   8.4980   1.4690 0.9550000 1.888000 
1 1 1  -36   22   17 o   4.9150   1.3550   5.2190   1.9490   4.6100   1.8820 0.6089000 2.709000 
1 1 1  -36   22   18 o   11.580   0.8876   12.260   1.1620   10.900   1.3420 1.356000 1.775000 
1 1 1  -36   22   19 o   3.8270   1.2280   3.5600   1.6510   4.0940   1.8190 -0.5333000 2.456000 
1 1 1  -36   22   20 o   8.4180   1.2600   8.4750   1.7250   8.3610   1.8360 0.1141000 2.519000 
1 1 1  -36   22   21 o   8.6900   1.1250   4.2680   1.9860   13.110   1.0570 -8.845000 2.250000 
1 1 1  -36   22   22 o   3.6230   1.1490   2.9820   1.4280   4.2630   1.7990 -1.281000 2.297000 
1 1 1  -36   22   23 o   3.6300   1.1480   3.9010   1.6930   3.3580   1.5510 0.5434000 2.296000 
1 1 1  -36   22   24 o   3.1630   1.0460   2.5710   1.2720   3.7560   1.6600 -1.186000 2.092000 
1 1 1  -36   22   25 o   4.0460   1.2490   4.2900   1.8140   3.8030   1.7160 0.4871000 2.497000 
1 1 1  -36   22   26 o   3.0610   1.0400   3.0340   1.4600   3.0890   1.4830 -0.5496000E-01 2.081000 
1 1 1  -36   22   27 o   2.6800   0.9574   2.3160   1.1870   3.0440   1.5030 -0.7277000 1.915000 
1 1 1  -36   24    1 o   7.3660   1.1960   6.6270   1.6760   8.1050   1.7080 -1.478000 2.393000 
1 1 1  -36   24    2 o   10.990   0.7384   10.870   1.0510   11.110   1.0370 -0.2396000 1.477000 
1 1 1  -36   24    3 o   11.510   0.7057   11.820   0.9678   11.190   1.0270 0.6326000 1.411000 
1 1 1  -36   24    4 o   10.630   0.7758   9.6830   1.1930   11.570   0.9917 -1.885000 1.552000 
1 1 1  -36   24    5 o   6.6670   1.0820   8.9720   1.2570   4.3620   1.7610 4.610000 2.163000 
1 1 1  -36   24    6 o   8.6360   0.9405   8.6830   1.2580   8.5900   1.3980 0.9334000E-01 1.881000 
1 1 1  -36   24    7 o   17.170   0.4930   16.350   0.6969   17.990   0.6976 -1.636000 0.9860000 
1 1 1  -36   24    8 o   14.230   0.5851   14.240   0.8033   14.210   0.8510 0.3548000E-01 1.170000 
1 1 1  -36   24    9 o   4.4440   1.2180   4.9330   1.7620   3.9560   1.6810 0.9769000 2.436000 
1 1 1  -36   24   10 o   13.430   0.6386   13.500   0.8735   13.360   0.9318 0.1410000 1.277000 
1 1 1  -36   24   11 o   8.8080   0.9942   9.8480   1.1870   7.7690   1.5950 2.079000 1.988000 
1 1 1  -36   24   12 o   9.4000   1.0620   10.020   1.4060   8.7810   1.5920 1.238000 2.124000 
1 1 1  -36   24   13 o   3.7370   1.1980   3.9590   1.7590   3.5160   1.6280 0.4426000 2.397000 
1 1 1  -36   24   14 o   6.2890   1.4130   6.4940   1.9920   6.0830   2.0030 0.4111000 2.825000 
1 1 1  -36   24   15 o   7.5760   1.1620   7.9520   1.5140   7.2000   1.7640 0.7520000 2.324000 
1 1 1  -36   24   16 o   5.8020   1.1720   7.5300   1.5730   4.0750   1.7380 3.455000 2.344000 
1 1 1  -36   24   17 o   10.050   1.0790   12.080   1.1390   8.0250   1.8330 4.052000 2.158000 
1 1 1  -36   24   18 o   9.4490   1.1610   7.5220   1.8940   11.380   1.3430 -3.854000 2.322000 
1 1 1  -36   24   19 o   8.9520   1.0230   8.8780   1.4490   9.0270   1.4450 -0.1487000 2.047000 
1 1 1  -36   24   20 o   3.5340   1.0820   4.8170   1.8390   2.2520   1.1390 2.565000 2.163000 
1 1 1  -36   24   21 o   3.9240   1.1930   4.3260   1.7700   3.5220   1.5990 0.8042000 2.386000 
1 1 1  -36   24   22 o   3.8360   1.2090   3.3600   1.5780   4.3130   1.8330 -0.9528000 2.419000 
1 1 1  -36   24   23 f   3.3060   1.1000   3.0110   1.4490   3.6020   1.6560 -0.5909000 2.201000 
1 1 1  -36   24   24 o   2.2610   0.8032   2.2460   1.1290   2.2760   1.1430 -0.3042000E-01 1.606000 
1 1 1  -36   26    1 o   12.540   0.8117   12.350   0.9790   12.730   1.2950 -0.3800000 1.623000 
1 1 1  -36   26    2 o   9.8530   1.0150   9.4720   1.4910   10.230   1.3770 -0.7623000 2.030000 
1 1 1  -36   26    3 o   12.350   0.8150   11.540   1.2250   13.160   1.0750 -1.620000 1.630000 
1 1 1  -36   26    4 o   8.5510   1.1540   9.0490   1.5580   8.0530   1.7020 0.9959000 2.307000 
1 1 1  -36   26    5 f   8.8510   1.1540   8.5890   1.6260   9.1120   1.6370 -0.5230000 2.307000 
1 1 1  -36   26    6 o   8.5300   1.1000   7.6070   1.5530   9.4540   1.5580 -1.847000 2.200000 
1 1 1  -36   26    7 o   6.9630   1.2310   6.8390   1.6930   7.0860   1.7870 -0.2472000 2.461000 
1 1 1  -36   26    8 o   8.2670   1.0690   8.9330   1.3040   7.6000   1.6940 1.333000 2.138000 
1 1 1  -36   26    9 o   14.350   0.6138   15.220   0.7788   13.470   0.9489 1.754000 1.228000 
1 1 1  -36   26   10 o   4.5020   1.2630   4.5010   1.7670   4.5030   1.8040 -0.1765000E-02 2.525000 
1 1 1  -36   26   11 o   5.7510   1.2840   5.0280   1.8230   6.4730   1.8090 -1.445000 2.568000 
1 1 1  -36   26   12 o   4.3230   1.2810   3.6140   1.6610   5.0330   1.9510 -1.419000 2.562000 
1 1 1  -36   26   13 o   4.3310   1.2820   3.5080   1.6360   5.1540   1.9730 -1.646000 2.563000 
1 1 1  -36   26   14 o   11.420   0.9227   11.860   1.2510   10.980   1.3570 0.8800000 1.845000 
1 1 1  -36   26   15 o   5.6390   1.3590   6.0550   1.9750   5.2240   1.8680 0.8312000 2.719000 
1 1 1  -36   26   16 o   4.9700   1.2080   6.2860   1.7820   3.6530   1.6320 2.633000 2.416000 
1 1 1  -36   26   17 f   8.9610   1.0020   9.0590   1.3750   8.8620   1.4580 0.1970000 2.004000 
1 1 1  -36   26   18 o   3.0700   1.0430   3.4830   1.6130   2.6570   1.3220 0.8259000 2.086000 
1 1 1  -36   26   19 o   3.9590   1.2360   3.9490   1.7450   3.9690   1.7510 -0.2053000E-01 2.472000 
1 1 1  -36   26   20 o   2.6480   0.9287   2.6730   1.3230   2.6240   1.3030 0.4909000E-01 1.857000 
1 1 1  -36   26   21 o   2.5120   0.8778   2.9120   1.3910   2.1120   1.0710 0.8000000 1.756000 
1 1 1  -36   26   22 o   1.7010   0.6277   1.6140   0.8415   1.7890   0.9315 -0.1743000 1.255000 
1 1 1  -36   28    1 o   5.8320   1.2910   7.0030   1.7110   4.6610   1.9330 2.341000 2.582000 
1 1 1  -36   28    2 o   12.100   0.8378   13.360   1.1000   10.850   1.2640 2.518000 1.676000 
1 1 1  -36   28    3 o   6.3980   1.3950   7.5020   1.8990   5.2930   2.0430 2.208000 2.789000 
1 1 1  -36   28    4 o   11.330   0.9531   11.990   1.2260   10.670   1.4600 1.319000 1.906000 
1 1 1  -36   28    5 o   7.7440   1.5070   7.1850   1.9580   8.3030   2.2900 -1.118000 3.013000 
1 1 1  -36   28    6 o   4.4990   1.3400   4.6800   1.9110   4.3170   1.8790 0.3636000 2.680000 
1 1 1  -36   28    7 o   9.5550   1.1060   9.5890   1.5370   9.5210   1.5900 0.6880000E-01 2.212000 
1 1 1  -36   28    8 o   5.2310   1.3950   5.3400   1.9610   5.1220   1.9860 0.2177000 2.791000 
1 1 1  -36   28    9 o   5.1350   1.3000   5.5990   1.8390   4.6700   1.8380 0.9288000 2.600000 
1 1 1  -36   28   10 o   4.8840   1.1930   6.3290   1.7880   3.4390   1.5810 2.890000 2.387000 
1 1 1  -36   28   11 o   5.4910   1.2340   6.8860   1.7550   4.0950   1.7340 2.791000 2.467000 
1 1 1  -36   28   12 o   9.8200   1.0210   10.230   1.3400   9.4070   1.5400 0.8272000 2.041000 
1 1 1  -36   28   13 o   5.1890   1.3580   5.5440   1.9300   4.8340   1.9100 0.7097000 2.715000 
1 1 1  -36   28   14 o   2.7520   0.9591   2.5690   1.2810   2.9340   1.4280 -0.3648000 1.918000 
1 1 1  -36   28   15 o   2.9060   0.9976   3.2210   1.5230   2.5920   1.2880 0.6294000 1.995000 
1 1 1  -36   28   16 o   3.1030   1.0230   3.5540   1.5800   2.6530   1.3000 0.9010000 2.046000 
1 1 1  -36   28   17 o   2.3380   0.8262   2.3380   1.1680   2.3380   1.1690 -0.3147000E-03 1.652000 
1 1 1  -36   28   18 o   2.5190   0.8785   2.5140   1.2390   2.5240   1.2450 -0.1077000E-01 1.757000 
1 1 1  -36   30    1 o   4.7050   1.2990   3.7760   1.7020   5.6350   1.9620 -1.859000 2.598000 
1 1 1  -36   30    2 o   5.5220   1.2420   7.3720   1.8400   3.6720   1.6690 3.700000 2.484000 
1 1 1  -36   30    3 o   4.6000   1.3230   4.3650   1.8290   4.8340   1.9120 -0.4686000 2.646000 
1 1 1  -36   30    4 o   3.4160   1.1290   3.9450   1.7380   2.8880   1.4400 1.057000 2.257000 
1 1 1  -36   30    5 o   3.3720   1.1030   2.7580   1.3560   3.9850   1.7390 -1.227000 2.206000 
1 1 1  -36   30    6 o   2.9940   1.0150   3.0270   1.4550   2.9610   1.4170 0.6673000E-01 2.031000 
1 1 1  -36   30    7 o   2.9710   1.0010   2.7240   1.3280   3.2170   1.4990 -0.4932000 2.002000 
1 1 1  -36   30    8 o   5.7540   1.2530   6.5080   1.7370   5.0000   1.8070 1.508000 2.507000 
1 1 1  -36   30    9 o   3.3120   1.0690   3.7310   1.6270   2.8920   1.3870 0.8394000 2.138000 
1 1 1  -36   30   10 o   3.6120   1.0950   2.6290   1.2870   4.5960   1.7720 -1.968000 2.191000 
1 1 1  -36   30   11 o   2.1810   0.7790   2.3990   1.1930   1.9640   1.0020 0.4356000 1.558000 
1 1 1  -36   30   12 o   2.5110   0.8781   2.2370   1.1250   2.7860   1.3480 -0.5485000 1.756000 
1 1 1  -36   30   13 o   2.7870   0.9755   2.4900   1.2650   3.0840   1.4860 -0.5944000 1.951000 
1 1 1  -35    1    1 o   64.760   0.4815   65.010   0.6830   64.500   0.6789 0.5069000 0.9630000 
1 1 1  -35    1    2 o   17.670   0.3589   17.660   0.5098   17.670   0.5052 -0.6651000E-02 0.7177000 
1 1 1  -35    1    3 o   45.040   0.3268   45.330   0.4970   44.750   0.4244 0.5888000 0.6536000 
1 1 1  -35    1    4 o   74.590   0.4753   73.940   0.6665   75.230   0.6778 -1.293000 0.9506000 
1 1 1  -35    1    5 o   18.830   0.2493   19.040   0.3772   18.620   0.3261 0.4140000 0.4986000 
1 1 1  -35    1    6 o   51.810   0.3917   51.610   0.5523   52.000   0.5555 -0.3882000 0.7833000 
1 1 1  -35    1    7 o   37.090   0.3383   36.620   0.5162   37.550   0.4375 -0.9313000 0.6766000 
1 1 1  -35    1    8 o   9.0340   0.5231   9.3300   0.7175   8.7380   0.7615 0.5920000 1.046000 
1 1 1  -35    1    9 o   38.480   0.2720   38.660   0.3860   38.300   0.3833 0.3603000 0.5440000 
1 1 1  -35    1   10 o   24.640   0.2400   24.990   0.3405   24.300   0.3382 0.6954000 0.4799000 
1 1 1  -35    1   11 o   28.080   0.2495   28.250   0.3553   27.910   0.3503 0.3342000 0.4990000 
1 1 1  -35    1   12 o   53.550   0.4101   53.980   0.5832   53.110   0.5767 0.8700000 0.8202000 
1 1 1  -35    1   13 o   7.4940   0.8137   7.7360   1.1330   7.2510   1.1680 0.4853000 1.627000 
1 1 1  -35    1   14 o   25.330   0.3911   26.720   0.5474   23.950   0.5588 2.764000 0.7822000 
1 1 1  -35    1   15 o   34.960   0.2845   34.750   0.4014   35.160   0.4032 -0.4056000 0.5689000 
1 1 1  -35    1   16 o   30.080   0.2822   30.130   0.4000   30.040   0.3983 0.8233000E-01 0.5645000 
1 1 1  -35    1   17 o   16.420   0.3827   16.380   0.5431   16.470   0.5392 -0.9887000E-01 0.7653000 
1 1 1  -35    1   18 o   55.430   0.3777   55.700   0.5362   55.150   0.5322 0.5506000 0.7555000 
1 1 1  -35    1   19 o   38.180   0.3026   38.170   0.4284   38.200   0.4274 -0.3306000E-01 0.6052000 
1 1 1  -35    1   20 o   10.710   0.5614   10.550   0.8141   10.880   0.7731 -0.3345000 1.123000 
1 1 1  -35    1   21 o   17.170   0.4218   17.470   0.5979   16.870   0.5952 0.5988000 0.8436000 
1 1 1  -35    1   22 o   32.480   0.4026   32.160   0.5671   32.790   0.5716 -0.6276000 0.8052000 
1 1 1  -35    1   23 o   39.400   0.3078   39.520   0.4372   39.280   0.4333 0.2374000 0.6155000 
1 1 1  -35    1   24 o   20.440   0.3296   20.390   0.4683   20.480   0.4640 -0.8644000E-01 0.6592000 
1 1 1  -35    1   25 o   17.120   0.3731   17.180   0.5233   17.060   0.5319 0.1267000 0.7462000 
1 1 1  -35    1   26 o   6.5070   1.0860   5.9320   1.5660   7.0820   1.5040 -1.150000 2.171000 
1 1 1  -35    1   27 o   26.280   0.4512   26.410   0.6346   26.140   0.6415 0.2616000 0.9024000 
1 1 1  -35    1   28 o   12.390   0.5381   11.400   0.8120   13.390   0.7064 -1.991000 1.076000 
1 1 1  -35    1   29 o   11.340   0.7758   11.620   0.8440   11.060   1.3020 0.5676000 1.552000 
1 1 1  -35    1   30 f   9.3010   0.9892   9.4680   1.0740   9.1340   1.6610 0.3339000 1.978000 
1 1 1  -35    1   31 o   26.960   0.4413   27.130   0.5055   26.790   0.7236 0.3432000 0.8826000 
1 1 1  -35    1   32 o   6.9020   1.2850   6.1290   1.9220   7.6750   1.7070 -1.547000 2.571000 
1 1 1  -35    1   33 f   6.8270   1.3770   7.8950   2.0840   5.7590   1.8020 2.136000 2.755000 
1 1 1  -35    1   34 o   8.5790   1.3210   8.6810   1.9950   8.4770   1.7310 0.2038000 2.641000 
1 1 1  -35    1   35 o   3.6640   1.1950   3.3150   1.6040   4.0140   1.7720 -0.6992000 2.390000 
1 1 1  -35    1   36 o   5.1760   1.1920   3.6850   1.6290   6.6670   1.7420 -2.981000 2.385000 
1 1 1  -35    3    1 o   19.790   0.3068   20.690   0.4966   18.900   0.3603 1.787000 0.6135000 
1 1 1  -35    3    2 o   29.930   0.3068   29.040   0.3962   30.820   0.4685 -1.779000 0.6136000 
1 1 1  -35    3    3 o   47.390   0.4611   47.300   0.6464   47.470   0.6578 -0.1713000 0.9222000 
1 1 1  -35    3    4 o   46.920   0.4554   47.310   0.6470   46.530   0.6411 0.7873000 0.9109000 
1 1 1  -35    3    5 o   88.320   0.7966   88.900   1.1330   87.730   1.1200 1.171000 1.593000 
1 1 1  -35    3    6 o   66.080   0.5242   66.640   0.8636   65.510   0.5945 1.129000 1.048000 
1 1 1  -35    3    7 o   62.240   0.4019   62.100   0.5676   62.390   0.5692 -0.2852000 0.8038000 
1 1 1  -35    3    8 o   66.360   0.4271   66.400   0.6052   66.330   0.6027 0.6612000E-01 0.8541000 
1 1 1  -35    3    9 o   65.260   0.5950   64.370   0.8310   66.150   0.8519 -1.782000 1.190000 
1 1 1  -35    3   10 o   48.200   0.3712   48.300   0.5260   48.100   0.5241 0.1972000 0.7425000 
1 1 1  -35    3   11 o   40.450   0.3121   40.590   0.4696   40.320   0.4113 0.2678000 0.6242000 
1 1 1  -35    3   12 o   49.970   0.3390   49.930   0.4800   50.010   0.4789 -0.7822000E-01 0.6781000 
1 1 1  -35    3   13 o   20.320   0.2957   20.610   0.4209   20.020   0.4156 0.5840000 0.5915000 
1 1 1  -35    3   14 o   47.310   0.3847   47.150   0.5463   47.470   0.5417 -0.3141000 0.7694000 
1 1 1  -35    3   15 o   26.650   0.2877   26.650   0.4103   26.650   0.4035 -0.5411000E-02 0.5755000 
1 1 1  -35    3   16 o   56.340   0.3803   56.020   0.5364   56.660   0.5394 -0.6394000 0.7607000 
1 1 1  -35    3   17 o   24.710   0.3411   25.450   0.4736   23.960   0.4910 1.490000 0.6822000 
1 1 1  -35    3   18 o   29.470   0.3182   30.000   0.4153   28.950   0.4823 1.047000 0.6364000 
1 1 1  -35    3   19 o   14.460   0.4326   13.750   0.6389   15.180   0.5834 -1.429000 0.8652000 
1 1 1  -35    3   20 o   24.450   0.3985   24.940   0.6633   23.960   0.4416 0.9821000 0.7969000 
1 1 1  -35    3   21 o   38.280   0.3541   38.000   0.5060   38.570   0.4954 -0.5692000 0.7081000 
1 1 1  -35    3   22 o   30.570   0.3292   30.510   0.4496   30.640   0.4809 -0.1303000 0.6583000 
1 1 1  -35    3   23 o   29.760   0.3278   29.640   0.4518   29.880   0.4750 -0.2446000 0.6555000 
1 1 1  -35    3   24 o   21.160   0.3246   21.110   0.4547   21.220   0.4633 -0.1087000 0.6492000 
1 1 1  -35    3   25 o   30.320   0.3657   29.790   0.4136   30.850   0.6033 -1.059000 0.7314000 
1 1 1  -35    3   26 o   4.7790   1.3600   4.1890   1.5990   5.3690   2.1990 -1.180000 2.719000 
1 1 1  -35    3   27 o   13.710   0.6257   13.530   0.8191   13.890   0.9460 -0.3627000 1.251000 
1 1 1  -35    3   28 o   29.650   0.3824   29.950   0.4413   29.340   0.6246 0.6111000 0.7648000 
1 1 1  -35    3   29 o   19.030   0.4053   18.960   0.5682   19.110   0.5782 -0.1521000 0.8106000 
1 1 1  -35    3   30 o   5.3910   1.2060   5.1510   1.7060   5.6300   1.7060 -0.4789000 2.413000 
1 1 1  -35    3   31 o   15.170   0.5227   15.120   0.7445   15.220   0.7339 -0.1003000 1.045000 
1 1 1  -35    3   32 o   3.1570   1.0390   3.4530   1.5600   2.8610   1.3720 0.5926000 2.077000 
1 1 1  -35    3   33 o   9.7940   0.8909   9.4880   1.2930   10.100   1.2260 -0.6109000 1.782000 
1 1 1  -35    3   34 o   6.7910   1.3500   6.2930   1.9310   7.2880   1.8860 -0.9949000 2.699000 
1 1 1  -35    3   35 f   4.6390   1.2500   3.1030   1.5270   6.1750   1.9800 -3.072000 2.500000 
1 1 1  -35    3   36 o   2.1720   0.7817   2.0000   1.0320   2.3440   1.1750 -0.3445000 1.563000 
1 1 1  -35    5    1 o   61.330   0.5081   61.220   0.6456   61.440   0.7847 -0.2130000 1.016000 
1 1 1  -35    5    2 f   26.290   0.7804   26.290   0.7804  ?   ?       ?      ? 
1 1 1  -35    5    3 f   28.230   0.5670   27.890   0.7701   28.570   0.8325 -0.6730000 1.134000 
1 1 1  -35    5    4 o   63.350   0.8345   63.640   1.1800   63.060   1.1800 0.5737000 1.669000 
1 1 1  -35    5    5 o   57.290   0.7674   57.060   1.0770   57.530   1.0930 -0.4743000 1.535000 
1 1 1  -35    5    6 o   40.860   0.6109   41.950   0.8673   39.780   0.8605 2.171000 1.222000 
1 1 1  -35    5    7 o   37.280   0.4599   37.490   0.8166   37.070   0.4233 0.4224000 0.9198000 
1 1 1  -35    5    8 o   17.350   0.2919   17.120   0.3858   17.590   0.4382 -0.4762000 0.5839000 
1 1 1  -35    5    9 o   36.980   0.3491   36.030   0.5263   37.930   0.4588 -1.906000 0.6982000 
1 1 1  -35    5   10 o   71.250   0.4979   71.600   0.7571   70.900   0.6469 0.7049000 0.9958000 
1 1 1  -35    5   11 o   36.540   0.2834   36.980   0.4016   36.110   0.4001 0.8672000 0.5669000 
1 1 1  -35    5   12 o   69.170   0.4498   69.000   0.6346   69.340   0.6376 -0.3413000 0.8996000 
1 1 1  -35    5   13 o   58.310   0.3894   58.250   0.5507   58.380   0.5506 -0.1311000 0.7787000 
1 1 1  -35    5   14 o   52.780   0.4221   52.920   0.6010   52.630   0.5929 0.2819000 0.8442000 
1 1 1  -35    5   15 o   69.110   0.4527   69.230   0.6419   68.990   0.6386 0.2349000 0.9054000 
1 1 1  -35    5   16 o   46.790   0.3356   46.490   0.4741   47.100   0.4752 -0.6120000 0.6713000 
1 1 1  -35    5   17 o   17.670   0.3716   17.850   0.5223   17.490   0.5288 0.3663000 0.7433000 
1 1 1  -35    5   18 o   50.500   0.3556   50.900   0.5071   50.100   0.4987 0.8030000 0.7113000 
1 1 1  -35    5   19 o   39.690   0.3622   39.740   0.5151   39.640   0.5094 0.9833000E-01 0.7244000 
1 1 1  -35    5   20 o   39.420   0.3599   39.480   0.5098   39.360   0.5080 0.1237000 0.7197000 
1 1 1  -35    5   21 f   13.830   0.5447   14.280   0.5796   13.390   0.9225 0.8920000 1.089000 
1 1 1  -35    5   22 f   36.470   0.3690   36.750   0.4241   36.190   0.6039 0.5588000 0.7380000 
1 1 1  -35    5   23 o   11.590   0.6347   10.860   0.8003   12.310   0.9853 -1.446000 1.269000 
1 1 1  -35    5   24 f   17.700   0.4542   17.870   0.4987   17.520   0.7593 0.3532000 0.9085000 
1 1 1  -35    5   25 o   5.9070   1.1790   4.5510   1.5920   7.2630   1.7400 -2.712000 2.358000 
1 1 1  -35    5   26 o   6.9850   0.8998   6.6820   1.2760   7.2870   1.2690 -0.6048000 1.800000 
1 1 1  -35    5   27 o   30.920   0.3592   30.700   0.5103   31.130   0.5057 -0.4234000 0.7184000 
1 1 1  -35    5   28 o   7.9570   1.0900   6.8100   1.7820   9.1040   1.2550 -2.295000 2.180000 
1 1 1  -35    5   29 o   11.980   0.5929   11.020   0.8919   12.940   0.7814 -1.916000 1.186000 
1 1 1  -35    5   30 o   3.5800   1.0750   4.1830   1.6410   2.9780   1.3890 1.206000 2.150000 
1 1 1  -35    5   31 o   3.1420   1.0210   3.3820   1.5050   2.9020   1.3800 0.4804000 2.042000 
1 1 1  -35    5   32 o   10.920   0.7396   10.520   1.0600   11.320   1.0310 -0.8075000 1.479000 
1 1 1  -35    5   33 o   3.2780   1.0890   2.9990   1.4450   3.5580   1.6300 -0.5584000 2.178000 
1 1 1  -35    5   34 o   3.9680   1.1880   4.3590   1.7500   3.5770   1.6080 0.7828000 2.377000 
1 1 1  -35    5   35 o   2.6230   0.9217   3.0110   1.4520   2.2360   1.1350 0.7748000 1.843000 
1 1 1  -35    5   36 o   4.1020   1.1080   5.6100   1.8110   2.5950   1.2780 3.015000 2.216000 
1 1 1  -35    7    1 o   56.370   0.3756   56.940   0.5327   55.800   0.5295 1.137000 0.7511000 
1 1 1  -35    7    2 o   34.110   0.2988   34.200   0.3720   34.010   0.4676 0.1972000 0.5975000 
1 1 1  -35    7    3 o   37.570   0.6178   37.570   0.6178  ?   ?       ?      ? 
1 1 1  -35    7    4 o   86.660   1.1170   86.660   1.1170  ?   ?       ?      ? 
1 1 1  -35    7    5 o   58.010   0.7874   58.010   0.7874  ?   ?       ?      ? 
1 1 1  -35    7    6 o   52.680   0.7329   52.680   0.7329  ?   ?       ?      ? 
1 1 1  -35    7    7 o   51.520   0.4169   50.900   0.4874   52.140   0.6765 -1.237000 0.8338000 
1 1 1  -35    7    8 o   21.570   0.3229   23.100   0.4211   20.050   0.4896 3.055000 0.6457000 
1 1 1  -35    7    9 o  124.600   0.9148  125.300   1.2990  124.000   1.2880 1.253000 1.830000 
1 1 1  -35    7   10 o   19.340   0.3217   19.020   0.4367   19.660   0.4726 -0.6378000 0.6435000 
1 1 1  -35    7   11 o   24.010   0.3044   24.420   0.4116   23.590   0.4486 0.8330000 0.6088000 
1 1 1  -35    7   12 o   66.410   0.4368   65.970   0.6123   66.850   0.6230 -0.8798000 0.8735000 
1 1 1  -35    7   13 o   44.200   0.3269   44.420   0.4619   43.990   0.4626 0.4328000 0.6537000 
1 1 1  -35    7   14 o   54.650   0.4386   55.090   0.6258   54.220   0.6147 0.8650000 0.8772000 
1 1 1  -35    7   15 o   13.020   0.5061   12.000   0.7493   14.050   0.6804 -2.052000 1.012000 
1 1 1  -35    7   16 f   13.700   0.5961   13.930   0.6533   13.480   0.9973 0.4408000 1.192000 
1 1 1  -35    7   17 o   29.450   0.3743   29.450   0.4282   29.450   0.6140 0.5825000E-02 0.7485000 
1 1 1  -35    7   18 o   24.240   0.5347   24.420   0.5216   24.070   0.9337 0.3523000 1.069000 
1 1 1  -35    7   19 o   18.820   0.4460   18.770   0.5093   18.860   0.7322 -0.8432000E-01 0.8920000 
1 1 1  -35    7   20 o   14.490   0.5252   14.130   0.5983   14.850   0.8634 -0.7277000 1.050000 
1 1 1  -35    7   21 o   10.240   0.6020   10.700   0.7879   9.7770   0.9104 0.9208000 1.204000 
1 1 1  -35    7   22 o   44.340   0.3577   44.120   0.4668   44.570   0.5422 -0.4481000 0.7154000 
1 1 1  -35    7   23 o   22.170   0.3666   22.490   0.4877   21.850   0.5476 0.6397000 0.7333000 
1 1 1  -35    7   24 o   16.300   0.4711   16.510   0.6081   16.090   0.7196 0.4270000 0.9422000 
1 1 1  -35    7   25 o   18.020   0.3777   17.420   0.5244   18.610   0.5438 -1.186000 0.7554000 
1 1 1  -35    7   26 o   8.2820   0.7751   8.0820   1.0710   8.4820   1.1210 -0.4003000 1.550000 
1 1 1  -35    7   27 o   12.210   0.6469   11.830   0.9109   12.590   0.9189 -0.7625000 1.294000 
1 1 1  -35    7   28 o   6.1740   1.2260   5.4950   1.7680   6.8530   1.7000 -1.358000 2.453000 
1 1 1  -35    7   29 o   4.7140   1.1490   5.4220   1.6140   4.0070   1.6360 1.415000 2.298000 
1 1 1  -35    7   30 o   18.980   0.4309   19.520   0.5675   18.440   0.6485 1.082000 0.8617000 
1 1 1  -35    7   31 o   3.7350   1.1380   3.3830   1.5110   4.0870   1.7020 -0.7041000 2.275000 
1 1 1  -35    7   32 o   3.5360   1.1280   2.6290   1.3060   4.4430   1.8390 -1.814000 2.255000 
1 1 1  -35    7   33 o   3.4650   1.0940   4.2390   1.7330   2.6910   1.3350 1.547000 2.187000 
1 1 1  -35    7   34 o   3.5910   1.1300   3.5780   1.5860   3.6050   1.6090 -0.2738000E-01 2.259000 
1 1 1  -35    7   35 o   2.2040   0.7921   2.3640   1.1910   2.0440   1.0450 0.3196000 1.584000 
1 1 1  -35    9    1 o   58.620   0.4618   59.160   0.6543   58.080   0.6519 1.078000 0.9236000 
1 1 1  -35    9    2 o   52.590   0.4673   52.000   0.5913   53.180   0.7238 -1.182000 0.9346000 
1 1 1  -35    9    3 o   58.510   0.4234   58.230   0.5475   58.800   0.6462 -0.5670000 0.8469000 
1 1 1  -35    9    4 o   46.500   0.3276   46.430   0.4596   46.570   0.4669 -0.1445000 0.6551000 
1 1 1  -35    9    5 o   24.310   0.2741   24.060   0.3775   24.550   0.3976 -0.4909000 0.5483000 
1 1 1  -35    9    6 o   30.090   0.4062   30.670   0.6457   29.510   0.4931 1.159000 0.8125000 
1 1 1  -35    9    7 o   16.710   0.4353   16.460   0.5848   16.960   0.6449 -0.4938000 0.8706000 
1 1 1  -35    9    8 o   42.140   0.4940   42.760   0.5210   41.520   0.8394 1.243000 0.9880000 
1 1 1  -35    9    9 o   47.730   0.4118   48.580   0.4838   46.890   0.6666 1.688000 0.8237000 
1 1 1  -35    9   10 o   57.430   0.5494   57.430   0.5494  ?   ?       ?      ? 
1 1 1  -35    9   11 o   10.450   0.8565   10.450   0.8565  ?   ?       ?      ? 
1 1 1  -35    9   12 o   67.010   0.6265   67.010   0.6265  ?   ?       ?      ? 
1 1 1  -35    9   13 o   9.8110   1.3340   9.8110   1.3340  ?   ?       ?      ? 
1 1 1  -35    9   14 o   27.690   0.5514   26.900   0.5643   28.470   0.9475 -1.576000 1.103000 
1 1 1  -35    9   15 o   37.300   0.5346   37.420   0.5147   37.170   0.9371 0.2463000 1.069000 
1 1 1  -35    9   16 o   16.350   0.5107   16.210   0.6973   16.500   0.7462 -0.2923000 1.021000 
1 1 1  -35    9   17 o   31.470   0.3126   31.460   0.4337   31.480   0.4502 -0.2717000E-01 0.6251000 
1 1 1  -35    9   18 o   26.100   0.3138   26.050   0.4402   26.160   0.4472 -0.1112000 0.6275000 
1 1 1  -35    9   19 f   35.000   0.3049   35.250   0.4338   34.750   0.4287 0.4944000 0.6099000 
1 1 1  -35    9   20 o   22.460   0.3258   22.930   0.4483   21.980   0.4730 0.9462000 0.6517000 
1 1 1  -35    9   21 o   14.630   0.4458   13.790   0.6413   15.470   0.6193 -1.684000 0.8915000 
1 1 1  -35    9   22 o   4.5870   1.2090   4.9810   1.6550   4.1920   1.7620 0.7890000 2.418000 
1 1 1  -35    9   23 o   5.3810   1.1730   6.0500   1.5710   4.7130   1.7430 1.336000 2.347000 
1 1 1  -35    9   24 o   18.570   0.3771   18.560   0.5144   18.590   0.5516 -0.3251000E-01 0.7542000 
1 1 1  -35    9   25 f   10.860   0.6023   11.230   0.7845   10.480   0.9141 0.7501000 1.205000 
1 1 1  -35    9   26 o   16.850   0.4274   17.040   0.5711   16.670   0.6361 0.3665000 0.8549000 
1 1 1  -35    9   27 o   19.260   0.4757   19.560   0.6616   18.960   0.6836 0.6010000 0.9514000 
1 1 1  -35    9   28 o   3.6930   1.1160   3.5320   1.5250   3.8550   1.6290 -0.3231000 2.232000 
1 1 1  -35    9   29 o   12.610   0.6173   12.460   0.8570   12.760   0.8886 -0.2977000 1.235000 
1 1 1  -35    9   30 o   13.060   0.6398   12.840   0.8832   13.270   0.9259 -0.4296000 1.280000 
1 1 1  -35    9   31 o   7.4410   1.2900   8.7400   1.7040   6.1420   1.9360 2.598000 2.580000 
1 1 1  -35    9   32 o   6.6860   1.3200   7.3390   1.7290   6.0330   1.9940 1.306000 2.639000 
1 1 1  -35    9   33 o   4.9000   1.2950   4.6180   1.8040   5.1820   1.8580 -0.5647000 2.590000 
1 1 1  -35    9   34 o   2.8090   0.9598   2.9120   1.3950   2.7060   1.3190 0.2057000 1.920000 
1 1 1  -35    9   35 o   4.5280   1.2650   5.5890   1.9590   3.4670   1.6000 2.122000 2.529000 
1 1 1  -35   11    1 o   67.440   0.4469   67.730   0.6305   67.140   0.6335 0.5876000 0.8938000 
1 1 1  -35   11    2 o   42.450   0.3545   42.370   0.4504   42.530   0.5476 -0.1578000 0.7090000 
1 1 1  -35   11    3 o   47.340   0.4354   47.510   0.4826   47.170   0.7247 0.3442000 0.8707000 
1 1 1  -35   11    4 o   58.770   0.4974   58.690   0.5589   58.850   0.8230 -0.1618000 0.9949000 
1 1 1  -35   11    5 o   27.000   0.4282   26.320   0.4647   27.670   0.7193 -1.356000 0.8564000 
1 1 1  -35   11    6 o   39.930   0.4091   40.560   0.4428   39.300   0.6880 1.255000 0.8182000 
1 1 1  -35   11    7 o   45.200   0.4281   44.840   0.4652   45.570   0.7189 -0.7214000 0.8562000 
1 1 1  -35   11    8 o   36.530   0.4015   36.230   0.4311   36.820   0.6775 -0.5861000 0.8030000 
1 1 1  -35   11    9 o   17.650   0.5502   16.870   0.5912   18.430   0.9282 -1.567000 1.100000 
1 1 1  -35   11   10 o   39.870   0.3532   40.190   0.5270   39.560   0.4706 0.6244000 0.7065000 
1 1 1  -35   11   11 f   18.830   0.4144   18.780   0.5640   18.880   0.6073 -0.1002000 0.8287000 
1 1 1  -35   11   12 o   34.250   0.4867   34.070   0.6919   34.430   0.6848 -0.3638000 0.9735000 
1 1 1  -35   11   13 o   15.640   0.8052   16.480   1.0770   14.800   1.1970 1.673000 1.610000 
1 1 1  -35   11   14 o   16.470   0.6005   16.070   0.7188   16.880   0.9620 -0.8027000 1.201000 
1 1 1  -35   11   15 o   37.220   0.3990   36.550   0.4479   37.900   0.6604 -1.342000 0.7980000 
1 1 1  -35   11   16 o   19.080   0.4994   19.040   0.5409   19.120   0.8397 -0.7850000E-01 0.9989000 
1 1 1  -35   11   17 o   10.590   0.7957   9.8230   0.9428   11.360   1.2820 -1.541000 1.591000 
1 1 1  -35   11   18 o   25.190   0.4020   25.050   0.4525   25.320   0.6646 -0.2682000 0.8040000 
1 1 1  -35   11   19 o   19.870   0.3695   20.000   0.5024   19.740   0.5419 0.2609000 0.7390000 
1 1 1  -35   11   20 o   9.3360   0.7846   9.1760   1.0670   9.4970   1.1500 -0.3205000 1.569000 
1 1 1  -35   11   21 o   7.9380   0.9494   8.2240   1.1940   7.6520   1.4760 0.5726000 1.899000 
1 1 1  -35   11   22 o   15.850   0.4642   15.610   0.6156   16.100   0.6949 -0.4947000 0.9284000 
1 1 1  -35   11   23 o   12.450   0.5380   12.740   0.7070   12.150   0.8112 0.5864000 1.076000 
1 1 1  -35   11   24 o   14.220   0.4747   13.850   0.6508   14.580   0.6913 -0.7279000 0.9494000 
1 1 1  -35   11   25 o   16.560   0.4268   16.390   0.5800   16.730   0.6264 -0.3405000 0.8537000 
1 1 1  -35   11   26 o   4.6900   1.1580   3.9070   1.5710   5.4730   1.7010 -1.566000 2.315000 
1 1 1  -35   11   27 o   15.940   0.5787   15.760   0.8141   16.110   0.8228 -0.3425000 1.157000 
1 1 1  -35   11   28 o   17.520   0.4600   17.760   0.6285   17.280   0.6718 0.4854000 0.9200000 
1 1 1  -35   11   29 o   14.930   0.5679   15.520   0.7558   14.340   0.8478 1.181000 1.136000 
1 1 1  -35   11   30 f   14.620   0.7142   15.630   0.9914   13.620   1.0280 2.006000 1.428000 
1 1 1  -35   11   31 o   10.750   0.8151   10.520   1.1520   10.970   1.1530 -0.4479000 1.630000 
1 1 1  -35   11   32 o   4.3460   1.2300   4.7820   1.7880   3.9100   1.6900 0.8719000 2.460000 
1 1 1  -35   11   33 o   6.2860   1.1680   8.0890   1.5170   4.4820   1.7770 3.608000 2.337000 
1 1 1  -35   11   34 o   3.3960   1.1110   3.7680   1.6820   3.0230   1.4520 0.7450000 2.222000 
1 1 1  -35   13    1 o   50.620   0.6416   50.440   0.5839   50.790   1.1430 -0.3507000 1.283000 
1 1 1  -35   13    2 o   24.140   0.4408   24.120   0.5335   24.170   0.7019 -0.4705000E-01 0.8817000 
1 1 1  -35   13    3 o   9.1080   0.8775   8.1710   1.3510   10.050   1.1200 -1.874000 1.755000 
1 1 1  -35   13    4 o   29.040   0.4183   28.850   0.5015   29.230   0.6696 -0.3761000 0.8366000 
1 1 1  -35   13    5 o   26.210   0.3869   26.970   0.5217   25.440   0.5714 1.535000 0.7737000 
1 1 1  -35   13    6 o   48.520   0.4520   47.630   0.5623   49.400   0.7079 -1.764000 0.9041000 
1 1 1  -35   13    7 o   27.520   0.3740   27.730   0.5063   27.310   0.5507 0.4169000 0.7481000 
1 1 1  -35   13    8 o   23.910   0.4006   23.810   0.5367   24.010   0.5949 -0.1967000 0.8012000 
1 1 1  -35   13    9 o   41.640   0.4755   41.320   0.6604   41.960   0.6844 -0.6390000 0.9510000 
1 1 1  -35   13   10 o   40.670   0.3909   40.720   0.5447   40.610   0.5608 0.1151000 0.7818000 
1 1 1  -35   13   11 o   5.1370   1.3180   4.9030   1.8080   5.3710   1.9170 -0.4678000 2.636000 
1 1 1  -35   13   12 o   14.040   0.5554   14.090   0.7719   14.000   0.7987 0.9286000E-01 1.111000 
1 1 1  -35   13   13 o   32.150   0.3277   32.220   0.4596   32.080   0.4672 0.1315000 0.6553000 
1 1 1  -35   13   14 o   37.580   0.3276   37.510   0.4606   37.650   0.4660 -0.1403000 0.6552000 
1 1 1  -35   13   15 o   20.990   0.3762   21.280   0.5156   20.700   0.5478 0.5816000 0.7523000 
1 1 1  -35   13   16 o   12.010   0.6108   13.420   0.7436   10.610   0.9693 2.808000 1.222000 
1 1 1  -35   13   17 o   30.710   0.3225   30.450   0.4530   30.960   0.4590 -0.5077000 0.6449000 
1 1 1  -35   13   18 o   29.880   0.4166   29.620   0.5020   30.150   0.6650 -0.5318000 0.8332000 
1 1 1  -35   13   19 o   17.380   0.5655   18.050   0.6231   16.710   0.9439 1.340000 1.131000 
1 1 1  -35   13   20 o   20.350   0.4780   20.790   0.5106   19.920   0.8081 0.8696000 0.9559000 
1 1 1  -35   13   21 o   3.8790   1.2350   3.4460   1.4850   4.3120   1.9740 -0.8658000 2.470000 
1 1 1  -35   13   22 o   23.590   0.4505   23.880   0.4814   23.310   0.7615 0.5759000 0.9009000 
1 1 1  -35   13   23 o   12.970   0.6220   13.510   0.7155   12.430   1.0180 1.072000 1.244000 
1 1 1  -35   13   24 o   5.9970   1.0920   7.1900   1.3470   4.8050   1.7200 2.385000 2.184000 
1 1 1  -35   13   25 o   3.9190   1.1400   3.8850   1.5880   3.9530   1.6380 -0.6837000E-01 2.281000 
1 1 1  -35   13   26 o   13.160   0.7100   12.850   0.9994   13.480   1.0090 -0.6300000 1.420000 
1 1 1  -35   13   27 o   12.980   0.6230   13.490   0.7935   12.470   0.9607 1.019000 1.246000 
1 1 1  -35   13   28 o   20.390   0.4574   20.540   0.6638   20.230   0.6294 0.3119000 0.9147000 
1 1 1  -35   13   29 o   8.4030   1.2150   8.8080   1.6740   7.9990   1.7620 0.8088000 2.431000 
1 1 1  -35   13   30 o   8.1540   1.0870   9.1510   1.3380   7.1580   1.7130 1.993000 2.174000 
1 1 1  -35   13   31 o   3.9690   1.2060   3.9170   1.6910   4.0220   1.7200 -0.1049000 2.412000 
1 1 1  -35   13   32 o   4.1740   1.2250   3.9000   1.6810   4.4470   1.7810 -0.5474000 2.449000 
1 1 1  -35   13   33 o   8.4050   1.0650   9.4920   1.3150   7.3170   1.6760 2.175000 2.131000 
1 1 1  -35   15    1 o   29.740   0.3524   30.170   0.4528   29.310   0.5401 0.8635000 0.7048000 
1 1 1  -35   15    2 o   22.800   0.5102   21.630   0.5926   23.980   0.8307 -2.347000 1.020000 
1 1 1  -35   15    3 o   24.620   0.4126   24.460   0.5586   24.780   0.6076 -0.3147000 0.8253000 
1 1 1  -35   15    4 o   13.930   0.6578   13.930   0.8674   13.920   0.9891 0.5311000E-02 1.316000 
1 1 1  -35   15    5 o   25.260   0.4123   25.180   0.5571   25.350   0.6079 -0.1720000 0.8246000 
1 1 1  -35   15    6 o   14.670   0.6100   14.740   0.8029   14.600   0.9186 0.1397000 1.220000 
1 1 1  -35   15    7 o   12.840   0.6944   13.310   0.8885   12.370   1.0670 0.9440000 1.389000 
1 1 1  -35   15    8 o   15.980   0.4807   15.070   0.6795   16.890   0.6801 -1.825000 0.9614000 
1 1 1  -35   15    9 o   13.930   0.5406   14.110   0.7211   13.750   0.8055 0.3593000 1.081000 
1 1 1  -35   15   10 o   6.1590   1.1000   4.5200   1.6530   7.7990   1.4520 -3.279000 2.200000 
1 1 1  -35   15   11 o   22.520   0.3699   22.200   0.5058   22.830   0.5398 -0.6288000 0.7398000 
1 1 1  -35   15   12 o   23.440   0.3625   22.980   0.4990   23.890   0.5259 -0.9155000 0.7249000 
1 1 1  -35   15   13 o   5.5540   1.2110   5.3930   1.7160   5.7160   1.7090 -0.3230000 2.422000 
1 1 1  -35   15   14 o   25.970   0.3740   25.600   0.4953   26.330   0.5606 -0.7274000 0.7481000 
1 1 1  -35   15   15 o   15.160   0.5627   13.900   0.8293   16.420   0.7608 -2.522000 1.125000 
1 1 1  -35   15   16 o   27.970   0.3729   28.210   0.5181   27.740   0.5364 0.4741000 0.7457000 
1 1 1  -35   15   17 o   16.080   0.4563   15.320   0.6610   16.830   0.6292 -1.510000 0.9126000 
1 1 1  -35   15   18 o   18.310   0.4127   18.300   0.5798   18.310   0.5874 -0.7299000E-02 0.8253000 
1 1 1  -35   15   19 o   18.260   0.4439   18.540   0.5691   17.970   0.6815 0.5760000 0.8878000 
1 1 1  -35   15   20 o   11.020   0.7101   10.930   0.9515   11.110   1.0540 -0.1716000 1.420000 
1 1 1  -35   15   21 f   25.760   0.3501   25.890   0.4821   25.640   0.5079 0.2468000 0.7003000 
1 1 1  -35   15   22 o   24.480   0.3694   24.580   0.4989   24.370   0.5449 0.2084000 0.7388000 
1 1 1  -35   15   23 f   5.7310   1.2130   7.0710   1.4350   4.3920   1.9570 2.679000 2.426000 
1 1 1  -35   15   24 o   4.9210   1.3580   4.0150   1.6230   5.8260   2.1780 -1.811000 2.716000 
1 1 1  -35   15   25 o   9.0850   1.4730   11.300   1.1950   6.8710   2.6920 4.428000 2.945000 
1 1 1  -35   15   26 o   10.960   1.0600   11.860   0.9500   10.060   1.8950 1.793000 2.120000 
1 1 1  -35   15   27 o   10.270   1.0470   9.1470   1.5670   11.400   1.3890 -2.248000 2.094000 
1 1 1  -35   15   28 o   16.450   0.5428   16.840   0.7110   16.060   0.8203 0.7821000 1.086000 
1 1 1  -35   15   29 o   9.5810   0.9382   10.160   1.1880   8.9980   1.4530 1.166000 1.876000 
1 1 1  -35   15   30 o   5.1580   1.3290   5.3470   1.8880   4.9690   1.8710 0.3784000 2.658000 
1 1 1  -35   15   31 o   3.2710   1.0420   2.1800   1.1040   4.3620   1.7680 -2.181000 2.085000 
1 1 1  -35   15   32 o   2.6740   0.9405   2.7150   1.3490   2.6330   1.3110 0.8242000E-01 1.881000 
1 1 1  -35   17    1 o   22.430   0.3651   22.190   0.5105   22.670   0.5222 -0.4785000 0.7303000 
1 1 1  -35   17    2 o   19.200   0.4036   19.000   0.5714   19.390   0.5702 -0.3820000 0.8072000 
1 1 1  -35   17    3 o   32.200   0.3194   32.080   0.4494   32.320   0.4539 -0.2338000 0.6388000 
1 1 1  -35   17    4 o   30.460   0.3223   30.320   0.4552   30.610   0.4563 -0.2851000 0.6445000 
1 1 1  -35   17    5 o   36.190   0.3260   36.080   0.4505   36.310   0.4712 -0.2261000 0.6519000 
1 1 1  -35   17    6 o   13.520   0.5579   13.610   0.7517   13.420   0.8246 0.1861000 1.116000 
1 1 1  -35   17    7 o   15.220   0.4996   15.810   0.6515   14.620   0.7576 1.195000 0.9993000 
1 1 1  -35   17    8 o   16.670   0.4625   16.340   0.6379   17.000   0.6699 -0.6525000 0.9250000 
1 1 1  -35   17    9 f   7.5710   1.1190   6.9050   1.6100   8.2370   1.5560 -1.332000 2.239000 
1 1 1  -35   17   10 o   20.800   0.4388   19.980   0.5987   21.620   0.6417 -1.641000 0.8776000 
1 1 1  -35   17   11 o   5.8880   1.2160   4.5040   1.7180   7.2730   1.7230 -2.770000 2.433000 
1 1 1  -35   17   12 f   14.400   0.5935   14.890   0.7547   13.910   0.9161 0.9816000 1.187000 
1 1 1  -35   17   13 o   4.7950   1.2000   4.4660   1.6490   5.1240   1.7440 -0.6572000 2.400000 
1 1 1  -35   17   14 o   22.690   0.3613   22.220   0.4961   23.150   0.5255 -0.9332000 0.7226000 
1 1 1  -35   17   15 o   6.0340   1.1660   6.1460   1.6160   5.9230   1.6800 0.2237000 2.331000 
1 1 1  -35   17   16 o   11.540   0.6395   10.980   0.9350   12.090   0.8726 -1.105000 1.279000 
1 1 1  -35   17   17 o   8.0950   0.9294   8.8320   1.1620   7.3580   1.4500 1.474000 1.859000 
1 1 1  -35   17   18 o   20.250   0.4407   20.570   0.5968   19.940   0.6485 0.6307000 0.8813000 
1 1 1  -35   17   19 o   12.230   0.6841   12.840   0.8630   11.620   1.0620 1.220000 1.368000 
1 1 1  -35   17   20 o   9.2850   0.8183   8.8660   1.1810   9.7050   1.1330 -0.8390000 1.637000 
1 1 1  -35   17   21 o   9.9010   0.7824   10.130   1.0410   9.6680   1.1680 0.4666000 1.565000 
1 1 1  -35   17   22 o   12.290   0.6434   12.310   0.8667   12.270   0.9511 0.3705000E-01 1.287000 
1 1 1  -35   17   23 o   23.760   0.3869   23.470   0.5308   24.050   0.5630 -0.5835000 0.7738000 
1 1 1  -35   17   24 o   12.700   0.7742   12.820   1.0740   12.580   1.1160 0.2418000 1.548000 
1 1 1  -35   17   25 o   3.9500   1.2110   2.9260   1.4290   4.9740   1.9540 -2.047000 2.421000 
1 1 1  -35   17   26 o   3.7980   1.2170   3.1260   1.5100   4.4690   1.9080 -1.344000 2.434000 
1 1 1  -35   17   27 o   4.1200   1.3040   3.0790   1.4620   5.1610   2.1610 -2.082000 2.609000 
1 1 1  -35   17   28 o   4.7930   1.4150   3.8060   1.6680   5.7800   2.2870 -1.974000 2.830000 
1 1 1  -35   17   29 o   3.8880   1.2620   2.9030   1.4020   4.8720   2.1000 -1.969000 2.525000 
1 1 1  -35   17   30 o   4.6570   1.2670   5.7940   1.8820   3.5210   1.6960 2.273000 2.533000 
1 1 1  -35   17   31 o   6.9550   1.3180   8.4060   1.7410   5.5030   1.9800 2.903000 2.637000 
1 1 1  -35   19    1 o   24.280   0.3525   24.150   0.4926   24.420   0.5044 -0.2695000 0.7051000 
1 1 1  -35   19    2 o   8.8370   0.8204   8.5610   1.1710   9.1120   1.1500 -0.5510000 1.641000 
1 1 1  -35   19    3 o   6.7230   1.0640   7.8960   1.3060   5.5500   1.6820 2.346000 2.129000 
1 1 1  -35   19    4 o   24.330   0.3446   24.690   0.4793   23.970   0.4953 0.7229000 0.6892000 
1 1 1  -35   19    5 o   11.700   0.6284   11.230   0.8734   12.170   0.9036 -0.9394000 1.257000 
1 1 1  -35   19    6 o   4.4170   1.1410   5.1640   1.6450   3.6700   1.5810 1.495000 2.282000 
1 1 1  -35   19    7 o   5.2480   1.0170   3.0780   1.4020   7.4170   1.4750 -4.339000 2.035000 
1 1 1  -35   19    8 o   4.7060   1.1920   4.2550   1.6410   5.1570   1.7300 -0.9011000 2.384000 
1 1 1  -35   19    9 o   5.6880   1.1790   4.9670   1.6740   6.4080   1.6620 -1.441000 2.359000 
1 1 1  -35   19   10 o   16.880   0.4684   16.630   0.6407   17.140   0.6834 -0.5083000 0.9368000 
1 1 1  -35   19   11 o   17.510   0.4489   16.650   0.6276   18.370   0.6420 -1.721000 0.8979000 
1 1 1  -35   19   12 o   15.370   0.4947   15.560   0.6551   15.180   0.7415 0.3841000 0.9894000 
1 1 1  -35   19   13 o   21.720   0.3811   21.680   0.5152   21.750   0.5616 -0.6849000E-01 0.7621000 
1 1 1  -35   19   14 o   30.040   0.3373   29.720   0.4627   30.360   0.4911 -0.6465000 0.6747000 
1 1 1  -35   19   15 o   16.150   0.5041   17.620   0.6132   14.680   0.8003 2.937000 1.008000 
1 1 1  -35   19   16 o   9.7090   0.8936   10.310   1.1090   9.1090   1.4020 1.200000 1.787000 
1 1 1  -35   19   17 o   8.5560   1.0190   8.1940   1.4350   8.9180   1.4480 -0.7235000 2.039000 
1 1 1  -35   19   18 o   5.7170   1.2050   6.2940   1.6220   5.1400   1.7820 1.154000 2.410000 
1 1 1  -35   19   19 o   13.780   0.5851   13.710   0.8028   13.850   0.8513 -0.1347000 1.170000 
1 1 1  -35   19   20 o   18.920   0.4552   19.530   0.6127   18.310   0.6733 1.222000 0.9104000 
1 1 1  -35   19   21 o   17.980   0.5534   17.180   0.8773   18.770   0.6749 -1.592000 1.107000 
1 1 1  -35   19   22 o   5.7550   1.5090   5.4130   2.2680   6.0970   1.9900 -0.6845000 3.017000 
1 1 1  -35   19   23 o   16.270   0.8886   15.620   1.3490   16.930   1.1570 -1.312000 1.777000 
1 1 1  -35   19   24 o   6.7460   1.2480   7.3390   1.6420   6.1530   1.8800 1.185000 2.496000 
1 1 1  -35   19   25 o   3.2660   1.0640   3.6970   1.6230   2.8350   1.3780 0.8623000 2.129000 
1 1 1  -35   19   26 o   5.9450   1.3130   5.6970   1.8360   6.1920   1.8760 -0.4947000 2.625000 
1 1 1  -35   19   27 o   3.2970   1.0780   2.9700   1.4210   3.6240   1.6230 -0.6537000 2.157000 
1 1 1  -35   19   28 o   6.9770   1.1980   8.3210   1.5260   5.6340   1.8460 2.687000 2.395000 
1 1 1  -35   19   29 o   2.9630   1.0220   2.6940   1.3360   3.2330   1.5470 -0.5388000 2.044000 
1 1 1  -35   19   30 o   1.8760   0.6884   1.8980   0.9817   1.8540   0.9653 0.4434000E-01 1.377000 
1 1 1  -35   21    1 o   5.3780   1.2120   5.3320   1.6930   5.4230   1.7340 -0.9090000E-01 2.424000 
1 1 1  -35   21    2 o   10.140   0.7288   10.700   0.9400   9.5690   1.1140 1.133000 1.458000 
1 1 1  -35   21    3 o   18.520   0.4207   17.960   0.5986   19.080   0.5911 -1.120000 0.8413000 
1 1 1  -35   21    4 o   28.850   0.3339   28.900   0.4668   28.810   0.4776 0.8893000E-01 0.6678000 
1 1 1  -35   21    5 o   19.770   0.4155   19.540   0.5612   19.990   0.6127 -0.4589000 0.8309000 
1 1 1  -35   21    6 o   7.6410   1.0220   9.3730   1.0780   5.9090   1.7360 3.464000 2.043000 
1 1 1  -35   21    7 o   4.1280   1.1710   4.2580   1.6490   3.9990   1.6630 0.2589000 2.342000 
1 1 1  -35   21    8 o   4.3750   1.1880   4.6550   1.6810   4.0940   1.6800 0.5608000 2.376000 
1 1 1  -35   21    9 o   8.5820   1.0430   10.340   1.0210   6.8220   1.8180 3.520000 2.085000 
1 1 1  -35   21   10 o   20.200   0.4176   19.800   0.5770   20.600   0.6039 -0.8004000 0.8352000 
1 1 1  -35   21   11 o   15.130   0.5307   14.590   0.7373   15.660   0.7634 -1.064000 1.061000 
1 1 1  -35   21   12 o   6.0830   1.2770   4.8590   1.8190   7.3080   1.7930 -2.448000 2.554000 
1 1 1  -35   21   13 o   13.090   0.6942   12.870   0.9638   13.310   0.9993 -0.4457000 1.388000 
1 1 1  -35   21   14 o   6.0950   1.2380   4.4070   1.7530   7.7840   1.7480 -3.377000 2.476000 
1 1 1  -35   21   15 o   12.560   0.6473   12.770   0.8417   12.350   0.9836 0.4177000 1.295000 
1 1 1  -35   21   16 o   14.600   0.5538   14.630   0.7382   14.580   0.8258 0.5450000E-01 1.108000 
1 1 1  -35   21   17 o   11.860   0.6740   11.790   0.9115   11.930   0.9930 -0.1451000 1.348000 
1 1 1  -35   21   18 o   4.3750   1.2320   4.4510   1.7460   4.2990   1.7400 0.1521000 2.465000 
1 1 1  -35   21   19 o   5.2920   1.3680   4.4200   1.8730   6.1640   1.9950 -1.744000 2.737000 
1 1 1  -35   21   20 o   12.060   1.5060   12.060   1.5060  ?   ?       ?      ? 
1 1 1  -35   21   21 o   5.2850   1.3810   3.2990   1.5690   7.2700   2.2730 -3.971000 2.762000 
1 1 1  -35   21   22 o   2.9850   1.0100   2.8360   1.3660   3.1350   1.4880 -0.2988000 2.020000 
1 1 1  -35   21   23 o   8.7840   1.0330   9.1690   1.3460   8.4000   1.5670 0.7693000 2.066000 
1 1 1  -35   21   24 o   3.4560   1.1070   4.1660   1.7590   2.7460   1.3450 1.420000 2.214000 
1 1 1  -35   21   25 o   3.9950   1.1640   2.8530   1.3880   5.1360   1.8700 -2.283000 2.329000 
1 1 1  -35   21   26 o   3.9160   1.2180   4.2880   1.8030   3.5440   1.6400 0.7439000 2.437000 
1 1 1  -35   21   27 o   5.5750   1.3790   5.8210   1.9650   5.3280   1.9350 0.4926000 2.758000 
1 1 1  -35   21   28 o   2.8110   0.9602   3.0360   1.4390   2.5850   1.2720 0.4511000 1.920000 
1 1 1  -35   23    1 o   5.3840   1.3430   5.4900   1.8960   5.2790   1.9030 0.2117000 2.686000 
1 1 1  -35   23    2 o   18.020   0.5452   16.960   0.8064   19.080   0.7341 -2.120000 1.090000 
1 1 1  -35   23    3 o   14.490   0.6427   13.620   0.9614   15.360   0.8533 -1.737000 1.285000 
1 1 1  -35   23    4 o   8.4880   1.1050   8.5780   1.5500   8.3980   1.5760 0.1793000 2.211000 
1 1 1  -35   23    5 o   10.130   0.9762   9.5020   1.4070   10.760   1.3540 -1.263000 1.952000 
1 1 1  -35   23    6 o   5.2800   1.2620   6.6100   1.8230   3.9500   1.7470 2.661000 2.525000 
1 1 1  -35   23    7 o   15.330   0.6408   15.820   0.8486   14.850   0.9604 0.9634000 1.282000 
1 1 1  -35   23    8 o   9.3100   1.0570   8.7030   1.5430   9.9170   1.4450 -1.214000 2.114000 
1 1 1  -35   23    9 o   16.100   0.6201   15.850   0.8544   16.350   0.8989 -0.4979000 1.240000 
1 1 1  -35   23   10 o   14.890   0.5731   15.850   0.7293   13.920   0.8843 1.931000 1.146000 
1 1 1  -35   23   11 o   12.090   0.6778   12.460   0.8973   11.710   1.0160 0.7498000 1.356000 
1 1 1  -35   23   12 o   4.5420   1.1260   5.9080   1.6970   3.1750   1.4800 2.733000 2.251000 
1 1 1  -35   23   13 o   8.0550   1.0680   9.4690   1.2070   6.6410   1.7620 2.828000 2.136000 
1 1 1  -35   23   14 o   15.620   0.5462   15.540   0.7347   15.690   0.8085 -0.1500000 1.092000 
1 1 1  -35   23   15 o   7.1400   1.3150   6.2760   1.9270   8.0040   1.7910 -1.728000 2.630000 
1 1 1  -35   23   16 o   5.6430   1.3660   6.4000   1.9330   4.8870   1.9310 1.513000 2.732000 
1 1 1  -35   23   17 o   4.3770   1.3080   4.8430   1.9300   3.9110   1.7650 0.9321000 2.615000 
1 1 1  -35   23   18 o   3.6690   1.1830   3.8880   1.7160   3.4510   1.6280 0.4368000 2.366000 
1 1 1  -35   23   19 o   4.1070   1.2670   4.1650   1.7800   4.0480   1.8050 0.1171000 2.535000 
1 1 1  -35   23   20 o   10.350   0.9019   10.700   1.1930   10.010   1.3530 0.6897000 1.804000 
1 1 1  -35   23   21 o   3.1890   1.0610   3.5660   1.6140   2.8120   1.3780 0.7535000 2.122000 
1 1 1  -35   23   22 o   3.5420   1.1380   3.5770   1.6190   3.5070   1.6000 0.7046000E-01 2.276000 
1 1 1  -35   23   23 o   3.7570   1.1560   3.0560   1.4530   4.4580   1.7970 -1.402000 2.311000 
1 1 1  -35   23   24 o   3.6590   1.1370   4.8110   1.8960   2.5070   1.2570 2.304000 2.275000 
1 1 1  -35   23   25 o   3.5110   1.1460   3.5940   1.6490   3.4270   1.5920 0.1667000 2.292000 
1 1 1  -35   23   26 o   2.8990   0.9881   3.1750   1.4790   2.6220   1.3110 0.5529000 1.976000 
1 1 1  -35   25    1 o   7.6650   1.1760   8.5860   1.6160   6.7450   1.7090 1.841000 2.352000 
1 1 1  -35   25    2 o   12.540   0.6806   12.450   0.9643   12.640   0.9608 -0.1869000 1.361000 
1 1 1  -35   25    3 o   15.940   0.5342   15.440   0.7699   16.440   0.7408 -1.000000 1.068000 
1 1 1  -35   25    4 o   4.8580   1.2600   4.6730   1.7570   5.0430   1.8060 -0.3693000 2.520000 
1 1 1  -35   25    5 o   7.6040   1.1110   5.8050   1.7610   9.4020   1.3550 -3.597000 2.222000 
1 1 1  -35   25    6 o   10.230   0.8772   10.920   1.1770   9.5440   1.3010 1.375000 1.754000 
1 1 1  -35   25    7 o   7.8420   1.2290   8.5910   1.5710   7.0930   1.8900 1.498000 2.458000 
1 1 1  -35   25    8 o   12.590   0.7840   13.280   1.0280   11.890   1.1840 1.381000 1.568000 
1 1 1  -35   25    9 f   4.7410   1.2970   3.8750   1.7090   5.6070   1.9520 -1.732000 2.594000 
1 1 1  -35   25   10 o   16.930   0.6070   17.780   0.8145   16.090   0.9002 1.685000 1.214000 
1 1 1  -35   25   11 o   4.8010   1.3420   4.3750   1.8420   5.2270   1.9520 -0.8523000 2.684000 
1 1 1  -35   25   12 f   16.080   0.6485   15.030   0.9765   17.120   0.8536 -2.082000 1.297000 
1 1 1  -35   25   13 o   4.1520   1.2220   4.1400   1.7080   4.1650   1.7490 -0.2446000E-01 2.444000 
1 1 1  -35   25   14 o   5.3780   1.3920   5.4110   1.9370   5.3450   2.0010 0.6561000E-01 2.785000 
1 1 1  -35   25   15 o   6.0500   1.4040   5.5780   1.9640   6.5210   2.0070 -0.9432000 2.808000 
1 1 1  -35   25   16 o   5.8950   1.3700   4.7490   1.9090   7.0410   1.9650 -2.292000 2.740000 
1 1 1  -35   25   17 o   4.1720   1.2130   4.8820   1.8350   3.4630   1.5880 1.419000 2.426000 
1 1 1  -35   25   18 o   4.0890   1.2300   4.3090   1.7690   3.8690   1.7100 0.4396000 2.460000 
1 1 1  -35   25   19 o   4.0470   1.2230   3.8180   1.6730   4.2750   1.7830 -0.4566000 2.445000 
1 1 1  -35   25   20 o   3.7280   1.1840   3.7710   1.6700   3.6840   1.6780 0.8691000E-01 2.367000 
1 1 1  -35   25   21 f   3.4490   1.1180   2.6010   1.2940   4.2980   1.8230 -1.697000 2.236000 
1 1 1  -35   25   22 o   2.7180   0.9481   2.9170   1.4160   2.5190   1.2610 0.3974000 1.896000 
1 1 1  -35   25   23 o   2.7620   0.9484   2.7290   1.3260   2.7950   1.3570 -0.6602000E-01 1.897000 
1 1 1  -35   27    1 o   8.3940   1.3700   9.9510   1.4810   6.8370   2.3060 3.114000 2.741000 
1 1 1  -35   27    2 f   5.3620   1.4290   5.1050   1.9650   5.6200   2.0760 -0.5155000 2.858000 
1 1 1  -35   27    3 o   10.340   1.0370   10.070   1.4750   10.610   1.4580 -0.5495000 2.074000 
1 1 1  -35   27    4 o   10.340   1.0120   10.880   1.3260   9.8040   1.5290 1.080000 2.024000 
1 1 1  -35   27    5 o   6.9000   1.3390   7.8090   1.7780   5.9900   2.0030 1.820000 2.678000 
1 1 1  -35   27    6 o   3.9910   1.2420   3.7690   1.6900   4.2130   1.8220 -0.4442000 2.485000 
1 1 1  -35   27    7 o   4.4270   1.2180   5.9150   1.9680   2.9390   1.4370 2.976000 2.437000 
1 1 1  -35   27    8 o   5.5760   1.2310   7.6100   1.8280   3.5410   1.6500 4.069000 2.463000 
1 1 1  -35   27    9 o   6.0270   1.4100   6.5560   1.9510   5.4980   2.0350 1.058000 2.819000 
1 1 1  -35   27   10 o   4.0940   1.2720   3.9960   1.7550   4.1920   1.8400 -0.1956000 2.543000 
1 1 1  -35   27   11 o   3.6330   1.1830   3.2670   1.5480   4.0000   1.7900 -0.7331000 2.367000 
1 1 1  -35   27   12 o   4.3200   1.2870   4.2160   1.8190   4.4240   1.8190 -0.2078000 2.573000 
1 1 1  -35   27   13 o   19.420   0.5461   18.720   0.7057   20.130   0.8335 -1.407000 1.092000 
1 1 1  -35   27   14 o   5.8760   1.1850   7.8080   1.6300   3.9440   1.7200 3.863000 2.370000 
1 1 1  -35   27   15 f   2.9420   1.0000   2.6190   1.2880   3.2640   1.5310 -0.6452000 2.000000 
1 1 1  -35   27   16 o   3.8510   1.2170   3.8860   1.7240   3.8160   1.7190 0.6983000E-01 2.434000 
1 1 1  -35   27   17 o   3.4840   1.1370   3.9420   1.7400   3.0260   1.4640 0.9161000 2.274000 
1 1 1  -35   27   18 o   2.2780   0.8170   2.1740   1.1060   2.3820   1.2030 -0.2085000 1.634000 
1 1 1  -35   27   19 o   2.8630   0.9714   3.2280   1.4970   2.4980   1.2390 0.7298000 1.943000 
1 1 1  -35   27   20 o   2.8340   0.9649   2.5770   1.2680   3.0900   1.4550 -0.5130000 1.930000 
1 1 1  -35   29    1 o   5.8340   1.3580   6.3170   1.8020   5.3510   2.0340 0.9660000 2.717000 
1 1 1  -35   29    2 o   10.690   0.8566   10.230   1.2110   11.160   1.2110 -0.9269000 1.713000 
1 1 1  -35   29    3 o   6.2870   1.3110   7.0460   1.7640   5.5280   1.9400 1.518000 2.622000 
1 1 1  -35   29    4 o   4.6190   1.3200   3.8780   1.6750   5.3590   2.0400 -1.480000 2.640000 
1 1 1  -35   29    5 o   4.9920   1.3110   4.4260   1.7770   5.5590   1.9290 -1.133000 2.623000 
1 1 1  -35   29    6 o   12.250   0.7525   12.700   0.9772   11.790   1.1450 0.9062000 1.505000 
1 1 1  -35   29    7 o   5.8360   1.3030   7.3740   1.8460   4.2980   1.8400 3.076000 2.606000 
1 1 1  -35   29    8 o   4.5270   1.3180   4.2570   1.8070   4.7960   1.9200 -0.5387000 2.636000 
1 1 1  -35   29    9 o   3.5310   1.1540   3.3510   1.5750   3.7120   1.6880 -0.3606000 2.309000 
1 1 1  -35   29   10 o   2.9190   1.0050   3.1600   1.5080   2.6780   1.3290 0.4820000 2.010000 
1 1 1  -35   29   11 o   4.9690   1.3470   4.7620   1.8750   5.1770   1.9340 -0.4151000 2.694000 
1 1 1  -35   29   12 o   3.4160   1.1250   3.3350   1.5650   3.4970   1.6150 -0.1619000 2.249000 
1 1 1  -35   29   13 o   2.5900   0.9032   2.3890   1.1940   2.7910   1.3560 -0.4011000 1.806000 
1 1 1  -35   29   14 o   3.1040   1.0280   2.7740   1.3450   3.4350   1.5550 -0.6613000 2.056000 
1 1 1  -35   29   15 o   2.2270   0.7935   2.2950   1.1510   2.1600   1.0920 0.1345000 1.587000 
1 1 1  -35   29   16 o   2.0680   0.7421   1.9550   0.9969   2.1810   1.0990 -0.2258000 1.484000 
1 1 1  -35   31    1 o   2.8640   0.9774   2.9910   1.4240   2.7360   1.3390 0.2548000 1.955000 
1 1 1  -35   31    2 o   2.6940   0.9323   2.7380   1.3320   2.6500   1.3040 0.8778000E-01 1.865000 
1 1 1  -35   31    3 o   2.6070   0.9068   2.8300   1.3650   2.3840   1.1940 0.4459000 1.814000 
1 1 1  -35   31    4 o   2.2950   0.8204   2.2090   1.1140   2.3810   1.2050 -0.1716000 1.641000 
1 1 1  -35   31    5 o   2.5770   0.8967   2.3900   1.1920   2.7630   1.3400 -0.3733000 1.793000 
1 1 1  -35   31    6 o   2.6300   0.9097   3.0550   1.4390   2.2040   1.1140 0.8514000 1.819000 
1 1 1  -35   31    7 o   2.8780   0.9769   2.5690   1.2650   3.1880   1.4890 -0.6187000 1.954000 
1 1 1  -35   31    8 o   2.8510   0.9674   2.5590   1.2580   3.1430   1.4700 -0.5833000 1.935000 
1 1 1  -35   31    9 o   3.2960   1.0650   3.6410   1.5970   2.9520   1.4090 0.6888000 2.130000 
1 1 1  -35   31   10 o   2.2490   0.8193   2.1470   1.1030   2.3510   1.2120 -0.2036000 1.639000 
1 1 1  -34    0    1 o   21.770   0.3921   21.770   0.3921   21.770   0.3921 0.000000 0.000000 
1 1 1  -34    0    2 o   59.130   0.7631   59.130   0.7631   59.130   0.7631 -0.000000 0.000000 
1 1 1  -34    0    3 o   10.090   0.8016   10.090   0.8016   10.090   0.8016 -0.000000 0.000000 
1 1 1  -34    0    4 o   49.000   0.6438   49.000   0.6438   49.000   0.6438 -0.000000 0.000000 
1 1 1  -34    0    6 o   35.010   0.5032   35.010   0.5032   35.010   0.5032 0.000000 0.000000 
1 1 1  -34    0    7 o   18.660   0.3245   18.660   0.3245   18.660   0.3245 0.000000 0.000000 
1 1 1  -34    0    8 o   37.890   0.3739   37.890   0.3739   37.890   0.3739 0.000000 0.000000 
1 1 1  -34    0    9 o  122.100   1.0890  122.100   1.0890  122.100   1.0890 -0.000000 0.000000 
1 1 1  -34    0   10 o   51.170   0.4787   51.170   0.4787   51.170   0.4787 -0.000000 0.000000 
1 1 1  -34    0   11 f   87.240   0.7845   87.240   0.7845   87.240   0.7845 -0.000000 0.000000 
1 1 1  -34    0   12 o   2.5830   1.6240   2.5830   1.6240   2.5830   1.6240 0.000000 0.000000 
1 1 1  -34    0   13 o   2.5530   1.6330   2.5530   1.6330   2.5530   1.6330 -0.000000 0.000000 
1 1 1  -34    0   14 o   63.590   0.5871   63.590   0.5871   63.590   0.5871 0.000000 0.000000 
1 1 1  -34    0   15 o   65.390   0.6038   65.390   0.6038   65.390   0.6038 -0.000000 0.000000 
1 1 1  -34    0   16 o   27.740   0.4003   27.740   0.4003   27.740   0.4003 -0.000000 0.000000 
1 1 1  -34    0   17 o   6.2610   1.5610   6.2610   1.5610   6.2610   1.5610 0.000000 0.000000 
1 1 1  -34    0   18 o   20.140   0.4806   20.140   0.4806   20.140   0.4806 0.000000 0.000000 
1 1 1  -34    0   19 o   60.650   0.5724   60.650   0.5724   60.650   0.5724 -0.000000 0.000000 
1 1 1  -34    0   20 o   45.780   0.4675   45.780   0.4675   45.780   0.4675 -0.000000 0.000000 
1 1 1  -34    0   21 o   33.020   0.4136   33.020   0.4136   33.020   0.4136 -0.000000 0.000000 
1 1 1  -34    0   22 o   8.1410   1.5270   8.1410   1.5270   8.1410   1.5270 0.000000 0.000000 
1 1 1  -34    0   23 o   9.7270   0.8795   9.7270   0.8795   9.7270   0.8795 -0.000000 0.000000 
1 1 1  -34    0   24 o   39.330   0.4366   39.330   0.4366   39.330   0.4366 -0.000000 0.000000 
1 1 1  -34    0   25 o   14.850   0.5917   14.850   0.5917   14.850   0.5917 -0.000000 0.000000 
1 1 1  -34    0   26 o   9.8090   0.9101   9.8090   0.9101   9.8090   0.9101 -0.000000 0.000000 
1 1 1  -34    0   27 o   29.390   0.6255   29.390   0.6255   29.390   0.6255 -0.000000 0.000000 
1 1 1  -34    0   28 o   29.200   0.4360   29.200   0.4360   29.200   0.4360 -0.000000 0.000000 
1 1 1  -34    0   29 o   2.9850   1.7740   2.9850   1.7740   2.9850   1.7740 -0.000000 0.000000 
1 1 1  -34    0   30 o   2.0240   1.4000   2.0240   1.4000   2.0240   1.4000 0.000000 0.000000 
1 1 1  -34    0   31 o   29.600   0.4803   29.600   0.4803   29.600   0.4803 0.000000 0.000000 
1 1 1  -34    0   32 o   15.110   0.7467   15.110   0.7467   15.110   0.7467 -0.000000 0.000000 
1 1 1  -34    0   33 o   14.980   1.1390   14.980   1.1390   14.980   1.1390 -0.000000 0.000000 
1 1 1  -34    0   34 o   7.4700   2.9480   7.4700   2.9480   7.4700   2.9480 0.000000 0.000000 
1 1 1  -34    0   35 o   3.1370   2.1510   3.1370   2.1510   3.1370   2.1510 0.000000 0.000000 
1 1 1  -34    0   36 o   2.8180   1.8570   2.8180   1.8570   2.8180   1.8570 -0.000000 0.000000 
1 1 1  -34    2    1 o   57.630   0.4045   57.470   0.5264   57.780   0.6144 -0.3155000 0.8090000 
1 1 1  -34    2    2 o   27.960   0.3211   25.530   0.4404   30.390   0.4674 -4.853000 0.6422000 
1 1 1  -34    2    3 o   41.320   0.3048   41.250   0.4609   41.390   0.3991 -0.1402000 0.6097000 
1 1 1  -34    2    4 o   39.710   0.2703   39.750   0.3820   39.670   0.3824 0.7908000E-01 0.5405000 
1 1 1  -34    2    5 o   57.030   0.3679   57.060   0.5203   56.990   0.5203 0.6769000E-01 0.7359000 
1 1 1  -34    2    6 o   33.540   0.2410   33.540   0.3405   33.530   0.3412 0.1226000E-01 0.4820000 
1 1 1  -34    2    7 o   60.550   0.3902   61.190   0.5575   59.910   0.5460 1.275000 0.7804000 
1 1 1  -34    2    8 f   18.810   0.3209   19.740   0.4101   17.880   0.4936 1.862000 0.6417000 
1 1 1  -34    2    9 o   59.400   0.3849   59.950   0.5497   58.850   0.5388 1.099000 0.7698000 
1 1 1  -34    2   10 o   38.530   0.2757   38.890   0.3937   38.170   0.3860 0.7250000 0.5514000 
1 1 1  -34    2   11 o   41.910   0.3366   41.860   0.4752   41.950   0.4770 -0.9230000E-01 0.6733000 
1 1 1  -34    2   12 o   29.760   0.2957   30.270   0.4174   29.250   0.4190 1.019000 0.5914000 
1 1 1  -34    2   13 o   74.830   0.5569   74.570   0.7855   75.100   0.7895 -0.5313000 1.114000 
1 1 1  -34    2   14 o   65.710   0.4962   65.530   0.7010   65.900   0.7024 -0.3713000 0.9923000 
1 1 1  -34    2   15 o   30.470   0.2802   30.540   0.3979   30.400   0.3946 0.1427000 0.5604000 
1 1 1  -34    2   16 f   37.120   0.2960   37.070   0.4205   37.170   0.4169 -0.1050000 0.5921000 
1 1 1  -34    2   17 o   57.050   0.3849   57.410   0.5480   56.680   0.5407 0.7343000 0.7698000 
1 1 1  -34    2   18 o   44.910   0.3283   44.830   0.4645   44.990   0.4641 -0.1618000 0.6566000 
1 1 1  -34    2   19 o   9.5240   0.6528   9.0790   0.9750   9.9690   0.8681 -0.8902000 1.306000 
1 1 1  -34    2   20 o   13.430   0.4657   13.020   0.6727   13.830   0.6443 -0.8052000 0.9315000 
1 1 1  -34    2   21 o   35.390   0.3444   34.840   0.4940   35.950   0.4801 -1.105000 0.6889000 
1 1 1  -34    2   22 o   17.970   0.4053   16.950   0.5739   18.990   0.5724 -2.041000 0.8105000 
1 1 1  -34    2   23 o   22.100   0.3315   22.260   0.4828   21.940   0.4545 0.3220000 0.6631000 
1 1 1  -34    2   24 o   11.840   0.5443   11.030   0.7459   12.660   0.7929 -1.628000 1.089000 
1 1 1  -34    2   25 o   13.270   0.4553   13.560   0.6120   12.980   0.6742 0.5827000 0.9106000 
1 1 1  -34    2   26 o   26.580   0.3559   26.460   0.4958   26.700   0.5106 -0.2390000 0.7118000 
1 1 1  -34    2   27 o   11.570   0.6648   10.540   1.0070   12.590   0.8682 -2.054000 1.330000 
1 1 1  -34    2   28 o   15.360   0.4472   16.100   0.5974   14.610   0.6656 1.489000 0.8944000 
1 1 1  -34    2   29 o   21.930   0.3955   21.480   0.5090   22.390   0.6055 -0.9118000 0.7910000 
1 1 1  -34    2   30 o   5.1010   1.2470   5.7210   1.6430   4.4820   1.8760 1.239000 2.494000 
1 1 1  -34    2   31 o   13.990   0.7031   14.480   0.7685   13.500   1.1780 0.9891000 1.406000 
1 1 1  -34    2   32 o   15.150   0.6679   15.360   0.7506   14.930   1.1050 0.4333000 1.336000 
1 1 1  -34    2   33 o   4.5390   1.2120   3.5500   1.5830   5.5270   1.8360 -1.977000 2.425000 
1 1 1  -34    2   34 o   7.3950   1.2790   6.0190   1.9600   8.7720   1.6450 -2.753000 2.559000 
1 1 1  -34    2   35 o   4.3050   1.2290   5.5260   1.9570   3.0850   1.4870 2.442000 2.457000 
1 1 1  -34    2   36 o   3.0200   1.0210   2.6040   1.3160   3.4360   1.5600 -0.8316000 2.041000 
1 1 1  -34    4    1 o   28.080   0.2714   28.740   0.3637   27.410   0.4029 1.332000 0.5428000 
1 1 1  -34    4    2 o   32.610   0.5450   32.610   0.5450  ?   ?       ?      ? 
1 1 1  -34    4    3 o   39.460   0.5815   39.460   0.5815  ?   ?       ?      ? 
1 1 1  -34    4    4 o   35.090   0.3932   35.780   0.5551   34.390   0.5570 1.392000 0.7863000 
1 1 1  -34    4    5 o   38.210   0.4059   37.890   0.5690   38.530   0.5790 -0.6422000 0.8118000 
1 1 1  -34    4    6 o   58.850   0.5490   58.790   0.7750   58.910   0.7777 -0.1173000 1.098000 
1 1 1  -34    4    7 o   51.450   0.4351   50.980   0.6718   51.930   0.5532 -0.9473000 0.8703000 
1 1 1  -34    4    8 o   20.590   0.2519   20.850   0.3585   20.340   0.3539 0.5073000 0.5037000 
1 1 1  -34    4    9 o   32.320   0.3501   31.850   0.4911   32.790   0.4992 -0.9379000 0.7003000 
1 1 1  -34    4   10 o   44.200   0.3066   44.460   0.4377   43.940   0.4295 0.5270000 0.6132000 
1 1 1  -34    4   11 o   52.840   0.3535   52.660   0.4995   53.020   0.5002 -0.3573000 0.7069000 
1 1 1  -34    4   12 o   23.030   0.2755   23.470   0.3787   22.600   0.4002 0.8666000 0.5510000 
1 1 1  -34    4   13 o   31.580   0.2758   31.670   0.3866   31.490   0.3935 0.1796000 0.5517000 
1 1 1  -34    4   14 o   26.590   0.3787   26.240   0.4939   26.930   0.5741 -0.6912000 0.7574000 
1 1 1  -34    4   15 o   29.230   0.2878   29.020   0.4086   29.450   0.4054 -0.4313000 0.5756000 
1 1 1  -34    4   16 o   28.240   0.2940   27.970   0.4163   28.520   0.4153 -0.5427000 0.5880000 
1 1 1  -34    4   17 o   50.890   0.3555   50.610   0.5034   51.160   0.5020 -0.5437000 0.7109000 
1 1 1  -34    4   18 o   18.000   0.3700   18.000   0.5264   17.990   0.5201 0.9460000E-03 0.7400000 
1 1 1  -34    4   19 o   47.530   0.3421   48.080   0.4875   46.980   0.4800 1.095000 0.6841000 
1 1 1  -34    4   20 o   63.280   0.4889   63.460   0.6950   63.100   0.6879 0.3554000 0.9779000 
1 1 1  -34    4   21 o   16.160   0.3921   15.870   0.5544   16.440   0.5545 -0.5695000 0.7842000 
1 1 1  -34    4   22 o   32.140   0.3298   32.170   0.4549   32.110   0.4776 0.6159000E-01 0.6596000 
1 1 1  -34    4   23 o   10.420   0.6367   10.300   0.8550   10.530   0.9437 -0.2344000 1.273000 
1 1 1  -34    4   24 o   24.040   0.3049   23.780   0.4225   24.300   0.4397 -0.5163000 0.6098000 
1 1 1  -34    4   25 o   16.650   0.4554   16.640   0.5875   16.650   0.6959 -0.1019000E-01 0.9107000 
1 1 1  -34    4   26 o   7.2140   1.1580   9.5880   0.9913   4.8400   2.0930 4.748000 2.316000 
1 1 1  -34    4   27 o   5.4760   1.2730   5.6050   1.7080   5.3470   1.8890 0.2577000 2.546000 
1 1 1  -34    4   28 o   5.8850   1.2240   5.7480   1.5360   6.0230   1.9060 -0.2743000 2.448000 
1 1 1  -34    4   29 o   6.3430   1.1390   7.0520   1.4240   5.6340   1.7770 1.418000 2.278000 
1 1 1  -34    4   30 o   21.580   0.3839   21.880   0.5332   21.280   0.5525 0.6035000 0.7678000 
1 1 1  -34    4   31 o   2.5700   0.8872   2.8340   1.3510   2.3060   1.1500 0.5281000 1.774000 
1 1 1  -34    4   32 o   26.240   0.3767   25.930   0.5333   26.550   0.5323 -0.6246000 0.7535000 
1 1 1  -34    4   33 o   4.1540   1.2640   4.4240   1.8510   3.8830   1.7210 0.5414000 2.528000 
1 1 1  -34    4   34 o   6.6280   1.3440   5.8110   1.9480   7.4450   1.8510 -1.634000 2.687000 
1 1 1  -34    4   35 o   3.1740   1.0710   3.4280   1.5990   2.9190   1.4250 0.5093000 2.142000 
1 1 1  -34    4   36 o   2.1850   0.7820   2.3180   1.1630   2.0520   1.0460 0.2659000 1.564000 
1 1 1  -34    6    1 o   71.890   0.4628   71.260   0.6486   72.520   0.6604 -1.265000 0.9256000 
1 1 1  -34    6    2 o   32.690   0.5829   32.690   0.5829  ?   ?       ?      ? 
1 1 1  -34    6    3 o   60.340   0.7006   60.500   0.8036   60.180   1.1480 0.3175000 1.401000 
1 1 1  -34    6    4 o   25.950   0.5879   25.950   0.5879  ?   ?       ?      ? 
1 1 1  -34    6    5 o  108.300   1.3800  108.300   1.3800  ?   ?       ?      ? 
1 1 1  -34    6    6 o   50.500   0.7012   50.500   0.7012  ?   ?       ?      ? 
1 1 1  -34    6    7 o   22.790   0.2743   23.500   0.3866   22.070   0.3892 1.427000 0.5486000 
1 1 1  -34    6    8 o   31.650   0.2953   32.220   0.3653   31.080   0.4640 1.138000 0.5905000 
1 1 1  -34    6    9 o   39.820   0.4523   39.570   0.4813   40.060   0.7659 -0.4932000 0.9046000 
1 1 1  -34    6   10 o   44.740   0.3664   45.270   0.5266   44.220   0.5097 1.045000 0.7329000 
1 1 1  -34    6   11 o   24.870   0.2823   25.140   0.3868   24.600   0.4112 0.5445000 0.5645000 
1 1 1  -34    6   12 o   70.650   0.4595   70.330   0.6465   70.960   0.6531 -0.6347000 0.9190000 
1 1 1  -34    6   13 o   59.950   0.3999   60.110   0.5662   59.790   0.5649 0.3150000 0.7998000 
1 1 1  -34    6   14 o   60.970   0.4733   60.480   0.6669   61.460   0.6718 -0.9784000 0.9466000 
1 1 1  -34    6   15 o   61.080   0.4082   60.890   0.5764   61.270   0.5783 -0.3888000 0.8165000 
1 1 1  -34    6   16 o   21.360   0.3364   21.870   0.4643   20.850   0.4868 1.015000 0.6728000 
1 1 1  -34    6   17 o   33.420   0.3021   33.350   0.4260   33.490   0.4284 -0.1379000 0.6042000 
1 1 1  -34    6   18 f   57.870   0.4267   57.870   0.6458   57.880   0.5579 -0.8934000E-02 0.8534000 
1 1 1  -34    6   19 o   22.450   0.3782   22.210   0.5332   22.690   0.5365 -0.4782000 0.7564000 
1 1 1  -34    6   20 o   20.460   0.3364   20.420   0.4669   20.500   0.4845 -0.7277000E-01 0.6728000 
1 1 1  -34    6   21 o   6.2580   1.0350   5.5400   1.4400   6.9750   1.4880 -1.435000 2.071000 
1 1 1  -34    6   22 o   19.700   0.4208   19.380   0.4885   20.020   0.6852 -0.6460000 0.8415000 
1 1 1  -34    6   23 o   18.070   0.4607   17.470   0.5511   18.670   0.7385 -1.197000 0.9214000 
1 1 1  -34    6   24 o   3.3710   1.1350   2.7430   1.2880   3.9990   1.8680 -1.257000 2.269000 
1 1 1  -34    6   25 o   31.040   0.5133   30.860   0.4768   31.230   0.9091 -0.3701000 1.027000 
1 1 1  -34    6   26 o   17.960   0.3808   17.780   0.5153   18.130   0.5608 -0.3566000 0.7616000 
1 1 1  -34    6   27 o   14.420   0.5495   13.300   0.8104   15.530   0.7424 -2.235000 1.099000 
1 1 1  -34    6   28 o   14.240   0.4870   13.780   0.6784   14.700   0.6989 -0.9144000 0.9740000 
1 1 1  -34    6   29 o   4.8780   1.1700   4.6130   1.6200   5.1420   1.6890 -0.5289000 2.340000 
1 1 1  -34    6   30 o   3.2720   1.0430   3.0990   1.4130   3.4440   1.5340 -0.3451000 2.085000 
1 1 1  -34    6   31 o   12.500   0.6425   11.860   0.9111   13.140   0.9063 -1.272000 1.285000 
1 1 1  -34    6   32 o   3.1040   1.0240   3.2610   1.4870   2.9470   1.4070 0.3138000 2.048000 
1 1 1  -34    6   33 o   15.900   0.6200   15.040   0.9004   16.750   0.8525 -1.711000 1.240000 
1 1 1  -34    6   34 o   3.6840   1.1260   2.9080   1.3900   4.4610   1.7710 -1.554000 2.252000 
1 1 1  -34    6   35 o   3.4820   1.1370   3.4570   1.5940   3.5080   1.6200 -0.5126000E-01 2.273000 
1 1 1  -34    6   36 o   2.4630   0.8657   2.4890   1.2360   2.4380   1.2120 0.5164000E-01 1.731000 
1 1 1  -34    8    1 o   43.290   0.4270   43.110   0.5212   43.480   0.6767 -0.3707000 0.8541000 
1 1 1  -34    8    2 o   39.210   0.4168   36.800   0.5806   41.620   0.5981 -4.811000 0.8336000 
1 1 1  -34    8    3 o   83.560   0.5777   83.930   0.7585   83.180   0.8715 0.7552000 1.155000 
1 1 1  -34    8    4 f   25.060   0.3172   24.980   0.4373   25.130   0.4595 -0.1440000 0.6344000 
1 1 1  -34    8    5 o   81.820   0.5236   81.730   0.7393   81.910   0.7418 -0.1775000 1.047000 
1 1 1  -34    8    6 o   43.780   0.3309   43.150   0.4317   44.410   0.5017 -1.253000 0.6619000 
1 1 1  -34    8    7 o   50.770   0.3760   50.970   0.4898   50.570   0.5706 0.4042000 0.7520000 
1 1 1  -34    8    8 o   10.750   0.5766   9.7730   0.8469   11.730   0.7827 -1.962000 1.153000 
1 1 1  -34    8    9 o   40.860   0.3093   40.720   0.4306   41.000   0.4440 -0.2790000 0.6185000 
1 1 1  -34    8   10 o   58.790   0.4813   58.570   0.5536   59.010   0.7876 -0.4401000 0.9627000 
1 1 1  -34    8   11 o   14.310   0.5530   14.320   0.5957   14.290   0.9318 0.3074000E-01 1.106000 
1 1 1  -34    8   12 o   45.990   0.4091   45.970   0.4725   46.000   0.6680 -0.2910000E-01 0.8182000 
1 1 1  -34    8   13 o   53.540   0.6145   54.030   0.6206   53.050   1.0610 0.9787000 1.229000 
1 1 1  -34    8   14 o   54.650   0.6249   55.140   0.6312   54.160   1.0790 0.9834000 1.250000 
1 1 1  -34    8   15 o   32.660   0.3970   32.740   0.4973   32.570   0.6191 0.1720000 0.7941000 
1 1 1  -34    8   16 o   42.920   0.3318   42.910   0.4654   42.920   0.4729 -0.1939000E-01 0.6636000 
1 1 1  -34    8   17 o   34.800   0.5119   35.560   0.4989   34.040   0.8940 1.517000 1.024000 
1 1 1  -34    8   18 o   4.5180   1.1620   2.8340   1.3060   6.2030   1.9210 -3.370000 2.323000 
1 1 1  -34    8   19 o   4.9530   1.5650   4.9530   1.5650  ?   ?       ?      ? 
1 1 1  -34    8   20 o   14.280   0.5532   14.040   0.6365   14.520   0.9051 -0.4785000 1.106000 
1 1 1  -34    8   21 o   2.9850   0.9706   2.7140   1.2580   3.2560   1.4780 -0.5414000 1.941000 
1 1 1  -34    8   22 o   9.8890   0.6966   10.140   0.8734   9.6350   1.0850 0.5073000 1.393000 
1 1 1  -34    8   23 o   13.100   0.5952   13.850   0.7347   12.340   0.9366 1.507000 1.190000 
1 1 1  -34    8   24 o   8.0800   0.7778   7.8670   1.0790   8.2940   1.1210 -0.4265000 1.556000 
1 1 1  -34    8   25 o   10.930   0.5775   10.800   0.7904   11.060   0.8422 -0.2605000 1.155000 
1 1 1  -34    8   26 o   23.940   0.3332   23.560   0.4639   24.330   0.4785 -0.7717000 0.6664000 
1 1 1  -34    8   27 o   10.180   0.8016   9.8020   1.1400   10.560   1.1270 -0.7546000 1.603000 
1 1 1  -34    8   28 o   10.420   0.6888   9.9700   0.9610   10.860   0.9872 -0.8927000 1.378000 
1 1 1  -34    8   29 o   6.2930   1.0370   8.3740   1.2130   4.2120   1.6820 4.163000 2.074000 
1 1 1  -34    8   30 o   27.300   0.3584   27.080   0.4993   27.520   0.5144 -0.4472000 0.7169000 
1 1 1  -34    8   31 o   3.6200   1.1290   3.4850   1.5520   3.7540   1.6390 -0.2692000 2.258000 
1 1 1  -34    8   32 o   2.9150   1.0060   3.1100   1.4960   2.7200   1.3440 0.3896000 2.012000 
1 1 1  -34    8   33 o   10.310   0.8446   9.8100   1.2550   10.810   1.1310 -0.9981000 1.689000 
1 1 1  -34    8   34 o   3.9450   1.1930   4.1650   1.7280   3.7250   1.6440 0.4407000 2.385000 
1 1 1  -34    8   35 o   2.6370   0.9253   2.7860   1.3690   2.4880   1.2450 0.2977000 1.851000 
1 1 1  -34   10    1 o   29.130   0.4474   28.680   0.6172   29.590   0.6477 -0.9084000 0.8947000 
1 1 1  -34   10    2 o   88.260   0.5657   87.480   0.7928   89.040   0.8071 -1.563000 1.131000 
1 1 1  -34   10    3 o   29.920   0.3515   30.010   0.4980   29.820   0.4962 0.1923000 0.7030000 
1 1 1  -34   10    4 o   15.480   0.5246   15.580   0.6963   15.390   0.7848 0.1945000 1.049000 
1 1 1  -34   10    5 o   38.210   0.3615   38.120   0.5013   38.290   0.5211 -0.1740000 0.7231000 
1 1 1  -34   10    6 f   18.030   0.4140   17.720   0.6279   18.330   0.5399 -0.6099000 0.8281000 
1 1 1  -34   10    7 o   17.900   0.3832   18.560   0.4810   17.250   0.5968 1.307000 0.7665000 
1 1 1  -34   10    8 o   6.9430   0.9813   7.2050   1.1820   6.6800   1.5670 0.5251000 1.963000 
1 1 1  -34   10    9 o   8.7990   0.7719   7.6410   1.1230   9.9580   1.0600 -2.317000 1.544000 
1 1 1  -34   10   10 o   14.480   0.5021   14.960   0.6446   14.000   0.7700 0.9637000 1.004000 
1 1 1  -34   10   11 o   28.410   0.4427   28.410   0.4427  ?   ?       ?      ? 
1 1 1  -34   10   12 o   17.080   0.6080   16.380   0.8216   17.770   0.8965 -1.396000 1.216000 
1 1 1  -34   10   13 o   19.560   0.5351   19.170   0.7205   19.950   0.7912 -0.7807000 1.070000 
1 1 1  -34   10   14 o   34.140   0.5349   33.770   0.5156   34.510   0.9375 -0.7388000 1.070000 
1 1 1  -34   10   15 o   17.950   0.6639   17.950   0.6639  ?   ?       ?      ? 
1 1 1  -34   10   16 o   26.000   0.4566   26.000   0.4566  ?   ?       ?      ? 
1 1 1  -34   10   17 o   11.410   0.7858   11.350   0.8270   11.470   1.3360 -0.1195000 1.572000 
1 1 1  -34   10   18 o   15.310   0.5692   15.590   0.6110   15.040   0.9605 0.5420000 1.138000 
1 1 1  -34   10   19 o   10.250   0.8382   10.870   0.8377   9.6340   1.4520 1.235000 1.676000 
1 1 1  -34   10   20 o   29.740   0.3380   29.940   0.4344   29.540   0.5179 0.3937000 0.6760000 
1 1 1  -34   10   21 o   6.0260   1.1000   4.6450   1.6130   7.4070   1.4970 -2.762000 2.201000 
1 1 1  -34   10   22 o   19.100   0.4742   18.770   0.6002   19.430   0.7344 -0.6659000 0.9485000 
1 1 1  -34   10   23 o   12.730   0.5117   11.980   0.7200   13.480   0.7273 -1.502000 1.023000 
1 1 1  -34   10   24 o   23.710   0.3312   24.020   0.4501   23.410   0.4860 0.6066000 0.6624000 
1 1 1  -34   10   25 f   11.830   0.5613   12.110   0.7281   11.540   0.8546 0.5687000 1.123000 
1 1 1  -34   10   26 o   9.3800   0.7608   10.690   0.8411   8.0660   1.2680 2.627000 1.522000 
1 1 1  -34   10   27 o   10.520   0.8233   10.960   1.0860   10.080   1.2380 0.8787000 1.647000 
1 1 1  -34   10   28 o   3.9190   1.0900   2.7000   1.2910   5.1390   1.7560 -2.439000 2.180000 
1 1 1  -34   10   29 o   8.2190   1.0080   9.0700   1.2450   7.3680   1.5870 1.702000 2.017000 
1 1 1  -34   10   30 o   4.1700   1.2070   4.3860   1.7330   3.9540   1.6820 0.4316000 2.415000 
1 1 1  -34   10   31 f   3.9740   1.2480   3.8970   1.7530   4.0520   1.7780 -0.1552000 2.497000 
1 1 1  -34   10   32 o   4.9240   1.2530   3.9770   1.7010   5.8710   1.8400 -1.894000 2.506000 
1 1 1  -34   10   33 o   2.8860   0.9812   2.4110   1.2030   3.3620   1.5500 -0.9511000 1.962000 
1 1 1  -34   10   34 o   2.7070   0.9388   2.8390   1.3730   2.5750   1.2810 0.2643000 1.878000 
1 1 1  -34   10   35 f   2.1900   0.7948   2.1320   1.0950   2.2490   1.1520 -0.1165000 1.590000 
1 1 1  -34   12    1 o   57.540   0.3969   56.900   0.5524   58.180   0.5700 -1.280000 0.7938000 
1 1 1  -34   12    2 o   61.010   0.4122   60.830   0.5801   61.190   0.5857 -0.3581000 0.8243000 
1 1 1  -34   12    3 o   39.820   0.3510   39.510   0.4460   40.130   0.5422 -0.6215000 0.7021000 
1 1 1  -34   12    4 o   19.780   0.5334   19.660   0.5224   19.910   0.9301 -0.2520000 1.067000 
1 1 1  -34   12    5 o   36.720   0.4082   36.820   0.4379   36.630   0.6890 0.1953000 0.8164000 
1 1 1  -34   12    6 o   16.380   0.6218   16.810   0.5876   15.950   1.0960 0.8627000 1.244000 
1 1 1  -34   12    7 o   19.000   0.5420   19.000   0.5420  ?   ?       ?      ? 
1 1 1  -34   12    8 o   26.960   0.4266   26.070   0.4571   27.860   0.7205 -1.787000 0.8533000 
1 1 1  -34   12    9 o   19.120   0.5302   18.520   0.5797   19.730   0.8880 -1.208000 1.060000 
1 1 1  -34   12   10 f   35.520   0.5443   35.090   0.5074   35.940   0.9631 -0.8454000 1.089000 
1 1 1  -34   12   11 o   16.230   0.7838   16.150   1.1160   16.320   1.1010 -0.1677000 1.568000 
1 1 1  -34   12   12 o   40.680   0.4967   41.220   0.7063   40.140   0.6985 1.084000 0.9934000 
1 1 1  -34   12   13 o   18.970   0.4228   18.430   0.5957   19.510   0.6003 -1.084000 0.8457000 
1 1 1  -34   12   14 o   26.580   0.3412   26.530   0.4735   26.630   0.4912 -0.9995000E-01 0.6823000 
1 1 1  -34   12   15 o   26.610   0.3382   27.030   0.4645   26.180   0.4918 0.8513000 0.6765000 
1 1 1  -34   12   16 o   45.150   0.3453   45.050   0.4840   45.260   0.4926 -0.2014000 0.6906000 
1 1 1  -34   12   17 o   21.510   0.3629   21.190   0.5045   21.820   0.5219 -0.6278000 0.7259000 
1 1 1  -34   12   18 o   19.400   0.3847   19.550   0.5327   19.260   0.5553 0.2940000 0.7695000 
1 1 1  -34   12   19 o   25.880   0.3754   26.160   0.5073   25.600   0.5536 0.5600000 0.7509000 
1 1 1  -34   12   20 o   16.010   0.5864   16.380   0.6403   15.650   0.9826 0.7302000 1.173000 
1 1 1  -34   12   21 o   9.4870   1.2100   10.390   0.9178   8.5810   2.2400 1.812000 2.421000 
1 1 1  -34   12   22 f   32.440   0.4109   31.600   0.4814   33.290   0.6661 -1.685000 0.8219000 
1 1 1  -34   12   23 o   9.7270   0.9890   10.790   0.8413   8.6660   1.7900 2.122000 1.978000 
1 1 1  -34   12   24 o   13.030   0.6068   13.140   0.7212   12.920   0.9761 0.2190000 1.214000 
1 1 1  -34   12   25 o   9.3940   0.7697   8.0420   1.1840   10.740   0.9842 -2.703000 1.539000 
1 1 1  -34   12   26 o   7.5680   1.1360   6.5520   1.7140   8.5840   1.4900 -2.032000 2.271000 
1 1 1  -34   12   27 o   19.430   0.4211   19.090   0.5698   19.760   0.6203 -0.6724000 0.8422000 
1 1 1  -34   12   28 o   13.200   0.6137   13.330   0.8239   13.080   0.9099 0.2539000 1.227000 
1 1 1  -34   12   29 o   8.7620   1.1560   8.2950   1.7710   9.2290   1.4860 -0.9343000 2.312000 
1 1 1  -34   12   30 o   7.7200   1.3130   7.6990   1.8650   7.7420   1.8500 -0.4388000E-01 2.627000 
1 1 1  -34   12   31 o   4.6760   1.2770   4.3330   1.7420   5.0190   1.8670 -0.6856000 2.554000 
1 1 1  -34   12   32 o   3.6950   1.1590   3.6010   1.6030   3.7880   1.6740 -0.1872000 2.318000 
1 1 1  -34   12   33 o   3.4960   1.1100   3.0620   1.4470   3.9290   1.6840 -0.8667000 2.220000 
1 1 1  -34   12   34 o   3.4920   1.1770   3.7860   1.7610   3.1970   1.5630 0.5885000 2.354000 
1 1 1  -34   14    1 o   15.310   1.2100   16.710   1.0900   13.910   2.1610 2.801000 2.420000 
1 1 1  -34   14    2 o   49.770   0.6421   49.340   0.7125   50.200   1.0680 -0.8516000 1.284000 
1 1 1  -34   14    3 o   15.910   0.6689   15.980   0.8796   15.840   1.0080 0.1403000 1.338000 
1 1 1  -34   14    4 o   14.710   0.7321   14.480   0.9761   14.940   1.0910 -0.4582000 1.464000 
1 1 1  -34   14    5 o   21.720   0.5432   20.390   0.7543   23.040   0.7818 -2.655000 1.086000 
1 1 1  -34   14    6 o   64.430   0.5701   65.020   0.7163   63.840   0.8870 1.176000 1.140000 
1 1 1  -34   14    7 o   32.850   0.3875   33.260   0.5312   32.440   0.5643 0.8190000 0.7750000 
1 1 1  -34   14    8 o   15.260   0.6126   13.930   0.8864   16.580   0.8459 -2.652000 1.225000 
1 1 1  -34   14    9 o   5.7530   1.2960   6.7160   1.7650   4.7900   1.8980 1.926000 2.592000 
1 1 1  -34   14   10 o   24.360   0.3625   24.750   0.4827   23.970   0.5410 0.7761000 0.7250000 
1 1 1  -34   14   11 o   18.550   0.4344   18.920   0.5730   18.180   0.6531 0.7409000 0.8688000 
1 1 1  -34   14   12 o   30.610   0.3367   31.200   0.4696   30.030   0.4826 1.169000 0.6733000 
1 1 1  -34   14   13 o   45.570   0.3524   46.000   0.4977   45.140   0.4990 0.8591000 0.7048000 
1 1 1  -34   14   14 o   56.620   0.3982   56.690   0.5614   56.560   0.5648 0.1268000 0.7964000 
1 1 1  -34   14   15 o   44.550   0.3455   44.790   0.4918   44.320   0.4855 0.4718000 0.6911000 
1 1 1  -34   14   16 o   35.890   0.3689   35.690   0.5182   36.090   0.5253 -0.4042000 0.7379000 
1 1 1  -34   14   17 o   21.030   0.4242   21.000   0.5808   21.060   0.6186 -0.5905000E-01 0.8485000 
1 1 1  -34   14   18 o   11.370   0.6899   10.940   0.9533   11.810   0.9975 -0.8645000 1.380000 
1 1 1  -34   14   19 o   13.230   0.5376   13.230   0.7338   13.220   0.7858 0.7216000E-02 1.075000 
1 1 1  -34   14   20 o   7.2510   1.0420   7.1930   1.4050   7.3080   1.5400 -0.1157000 2.085000 
1 1 1  -34   14   21 o   15.480   0.4846   15.710   0.6823   15.260   0.6882 0.4504000 0.9691000 
1 1 1  -34   14   22 o   21.270   0.3821   21.510   0.5223   21.030   0.5579 0.4861000 0.7642000 
1 1 1  -34   14   23 o   10.840   0.6788   9.6210   0.9928   12.050   0.9258 -2.431000 1.358000 
1 1 1  -34   14   24 o   3.4470   1.1150   3.4690   1.4990   3.4250   1.6520 0.4432000E-01 2.231000 
1 1 1  -34   14   25 o   9.9130   1.4580   12.470   1.0470   7.3580   2.7210 5.109000 2.915000 
1 1 1  -34   14   26 o   16.960   0.9146   16.980   0.8240   16.940   1.6330 0.3758000E-01 1.829000 
1 1 1  -34   14   27 o   9.1080   1.1710   9.3840   1.1530   8.8320   2.0380 0.5523000 2.342000 
1 1 1  -34   14   28 o   4.9660   1.3490   4.0820   1.7780   5.8510   2.0300 -1.769000 2.699000 
1 1 1  -34   14   29 o   6.9960   1.1810   8.3930   1.4370   5.5980   1.8740 2.795000 2.361000 
1 1 1  -34   14   30 o   12.670   0.7205   13.450   0.9395   11.900   1.0930 1.549000 1.441000 
1 1 1  -34   14   31 o   2.8310   0.9716   2.6500   1.3010   3.0110   1.4430 -0.3612000 1.943000 
1 1 1  -34   14   32 o   2.7530   0.9465   3.3030   1.5310   2.2040   1.1140 1.099000 1.893000 
1 1 1  -34   14   33 o   3.4860   1.1470   4.1910   1.8240   2.7810   1.3910 1.411000 2.294000 
1 1 1  -34   16    1 o   32.410   0.3563   31.400   0.4530   33.420   0.5500 -2.027000 0.7125000 
1 1 1  -34   16    2 o   27.070   0.3721   27.830   0.5637   26.320   0.4859 1.514000 0.7442000 
1 1 1  -34   16    3 o   27.660   0.3353   27.940   0.4662   27.380   0.4822 0.5562000 0.6707000 
1 1 1  -34   16    4 o   30.470   0.3274   30.270   0.4565   30.670   0.4695 -0.4043000 0.6549000 
1 1 1  -34   16    5 o   16.430   0.4854   16.060   0.6554   16.800   0.7161 -0.7402000 0.9707000 
1 1 1  -34   16    6 o   18.120   0.4477   18.410   0.5890   17.830   0.6745 0.5871000 0.8955000 
1 1 1  -34   16    7 f   32.390   0.3267   32.390   0.4468   32.390   0.4768 -0.7923000E-02 0.6534000 
1 1 1  -34   16    8 o   24.970   0.3534   24.020   0.4900   25.920   0.5093 -1.902000 0.7067000 
1 1 1  -34   16    9 o   13.000   0.5863   12.250   0.8351   13.750   0.8230 -1.503000 1.173000 
1 1 1  -34   16   10 o   4.4180   1.1620   5.1000   1.6790   3.7350   1.6070 1.365000 2.324000 
1 1 1  -34   16   11 o   18.180   0.4336   18.550   0.5745   17.810   0.6497 0.7413000 0.8672000 
1 1 1  -34   16   12 o   23.190   0.3988   23.980   0.4954   22.410   0.6251 1.573000 0.7976000 
1 1 1  -34   16   13 o   4.9570   1.2730   4.5680   1.7080   5.3470   1.8870 -0.7791000 2.545000 
1 1 1  -34   16   14 o   16.500   0.5400   16.280   0.7580   16.720   0.7693 -0.4354000 1.080000 
1 1 1  -34   16   15 o   27.990   0.3382   27.360   0.4842   28.610   0.4723 -1.250000 0.6764000 
1 1 1  -34   16   16 o   18.320   0.4210   18.460   0.5865   18.190   0.6041 0.2657000 0.8420000 
1 1 1  -34   16   17 o   13.870   0.5314   13.680   0.7469   14.060   0.7562 -0.3883000 1.063000 
1 1 1  -34   16   18 o   25.490   0.3680   25.220   0.4845   25.770   0.5541 -0.5568000 0.7361000 
1 1 1  -34   16   19 o   14.140   0.5717   14.520   0.7432   13.760   0.8689 0.7567000 1.143000 
1 1 1  -34   16   20 o   14.480   0.5300   14.560   0.7134   14.400   0.7840 0.1560000 1.060000 
1 1 1  -34   16   21 o   18.850   0.4242   19.020   0.5764   18.680   0.6225 0.3397000 0.8484000 
1 1 1  -34   16   22 o   10.080   0.7511   10.320   0.9897   9.8340   1.1300 0.4870000 1.502000 
1 1 1  -34   16   23 o   10.730   0.7193   9.7010   1.0520   11.750   0.9815 -2.050000 1.439000 
1 1 1  -34   16   24 o   9.5880   1.0100   9.0250   1.5010   10.150   1.3510 -1.127000 2.019000 
1 1 1  -34   16   25 o   12.640   0.7849   12.710   1.0970   12.570   1.1230 0.1387000 1.570000 
1 1 1  -34   16   26 o   10.220   1.0230   10.040   1.4480   10.400   1.4440 -0.3541000 2.045000 
1 1 1  -34   16   27 o   8.8900   1.2360   7.9330   1.9020   9.8480   1.5810 -1.915000 2.473000 
1 1 1  -34   16   28 f   10.920   1.1530   12.270   1.1350   9.5690   2.0070 2.704000 2.306000 
1 1 1  -34   16   29 o   6.1560   1.3740   7.2790   1.7430   5.0340   2.1250 2.246000 2.749000 
1 1 1  -34   16   30 o   6.1700   1.4070   6.8630   1.7760   5.4780   2.1820 1.385000 2.814000 
1 1 1  -34   16   31 o   3.2350   1.1120   2.6270   1.3090   3.8440   1.7990 -1.217000 2.224000 
1 1 1  -34   16   32 o   2.5160   0.8928   2.4030   1.2110   2.6290   1.3120 -0.2266000 1.786000 
1 1 1  -34   18    1 o   17.890   0.4914   18.150   0.6707   17.630   0.7185 0.5269000 0.9829000 
1 1 1  -34   18    2 o   16.020   0.5346   15.370   0.7585   16.660   0.7535 -1.293000 1.069000 
1 1 1  -34   18    3 o   14.320   0.5807   14.370   0.7952   14.260   0.8464 0.1114000 1.161000 
1 1 1  -34   18    4 o   18.050   0.4736   18.160   0.6564   17.940   0.6827 0.2154000 0.9471000 
1 1 1  -34   18    5 o   16.490   0.5370   16.220   0.7130   16.760   0.8033 -0.5399000 1.074000 
1 1 1  -34   18    6 o   13.520   0.6289   13.720   0.8157   13.330   0.9575 0.3921000 1.258000 
1 1 1  -34   18    7 o   23.650   0.4077   23.770   0.5485   23.520   0.6034 0.2514000 0.8154000 
1 1 1  -34   18    8 o   13.230   0.6414   13.230   0.8517   13.230   0.9592 0.9375000E-03 1.283000 
1 1 1  -34   18    9 o   10.680   0.7860   10.220   1.1030   11.140   1.1200 -0.9220000 1.572000 
1 1 1  -34   18   10 o   7.2710   1.0510   7.7940   1.3420   6.7470   1.6170 1.047000 2.102000 
1 1 1  -34   18   11 o   4.7100   1.1770   5.3310   1.6660   4.0890   1.6620 1.242000 2.354000 
1 1 1  -34   18   12 o   24.650   0.3560   25.240   0.4788   24.070   0.5269 1.167000 0.7119000 
1 1 1  -34   18   13 o   5.0430   1.1950   4.8000   1.6500   5.2850   1.7290 -0.4847000 2.390000 
1 1 1  -34   18   14 o   3.8580   1.0950   4.5440   1.6360   3.1720   1.4570 1.372000 2.191000 
1 1 1  -34   18   15 o   14.510   0.5290   14.630   0.7152   14.380   0.7798 0.2529000 1.058000 
1 1 1  -34   18   16 o   24.260   0.3912   24.260   0.5084   24.270   0.5946 -0.1455000E-01 0.7824000 
1 1 1  -34   18   17 o   19.920   0.4556   19.990   0.6133   19.850   0.6739 0.1377000 0.9112000 
1 1 1  -34   18   18 o   7.0990   1.1260   7.2410   1.5770   6.9570   1.6090 0.2845000 2.253000 
1 1 1  -34   18   19 o   13.730   0.5776   14.100   0.7576   13.360   0.8722 0.7356000 1.155000 
1 1 1  -34   18   20 o   3.1710   1.0310   3.3130   1.4900   3.0280   1.4260 0.2851000 2.062000 
1 1 1  -34   18   21 o   10.280   0.7851   10.920   0.9794   9.6480   1.2270 1.271000 1.570000 
1 1 1  -34   18   22 o   3.7890   1.1480   3.3240   1.5020   4.2530   1.7360 -0.9288000 2.295000 
1 1 1  -34   18   23 o   12.080   0.8073   12.100   1.1520   12.070   1.1310 0.3341000E-01 1.615000 
1 1 1  -34   18   24 o   5.3380   1.4920   5.3410   2.1880   5.3350   2.0290 0.6036000E-02 2.984000 
1 1 1  -34   18   25 o   6.2590   1.2460   7.8360   1.5730   4.6820   1.9340 3.155000 2.493000 
1 1 1  -34   18   26 o   3.3320   1.0910   3.6280   1.6250   3.0350   1.4560 0.5930000 2.182000 
1 1 1  -34   18   27 o   9.6660   0.9511   10.100   1.2530   9.2280   1.4310 0.8753000 1.902000 
1 1 1  -34   18   28 o   4.1490   1.2050   5.0030   1.8540   3.2940   1.5390 1.710000 2.409000 
1 1 1  -34   18   29 o   3.8400   1.1920   3.9760   1.7220   3.7040   1.6490 0.2718000 2.384000 
1 1 1  -34   18   30 o   3.6700   1.1750   4.3770   1.8500   2.9630   1.4480 1.414000 2.349000 
1 1 1  -34   18   31 o   2.0780   1.0800   2.0780   1.0800  ?   ?       ?      ? 
1 1 1  -34   20    1 o   9.9020   0.7468   10.060   1.0260   9.7490   1.0850 0.3064000 1.494000 
1 1 1  -34   20    2 o   13.590   0.5432   13.470   0.7608   13.710   0.7755 -0.2396000 1.086000 
1 1 1  -34   20    3 o   16.010   0.4692   15.730   0.6613   16.300   0.6657 -0.5652000 0.9383000 
1 1 1  -34   20    4 o   7.7630   0.9392   7.4890   1.3750   8.0380   1.2800 -0.5493000 1.878000 
1 1 1  -34   20    5 o   20.110   0.4040   20.210   0.5402   20.020   0.6008 0.1912000 0.8080000 
1 1 1  -34   20    6 o   7.9140   0.9662   8.4590   1.1960   7.3690   1.5180 1.090000 1.932000 
1 1 1  -34   20    7 o   14.050   0.5403   13.360   0.7670   14.750   0.7612 -1.394000 1.081000 
1 1 1  -34   20    8 o   17.100   0.4647   16.910   0.6387   17.280   0.6751 -0.3701000 0.9293000 
1 1 1  -34   20    9 o   8.2780   0.9302   7.8480   1.3240   8.7090   1.3070 -0.8605000 1.860000 
1 1 1  -34   20   10 o   7.2800   1.0600   7.4640   1.3920   7.0960   1.6000 0.3681000 2.121000 
1 1 1  -34   20   11 o   6.6580   1.1210   6.5530   1.5370   6.7640   1.6320 -0.2104000 2.242000 
1 1 1  -34   20   12 o   11.830   0.6408   11.730   0.8725   11.940   0.9388 -0.2149000 1.282000 
1 1 1  -34   20   13 o   13.480   0.5736   12.890   0.7819   14.070   0.8395 -1.181000 1.147000 
1 1 1  -34   20   14 o   9.1410   0.9748   9.7460   1.2190   8.5370   1.5210 1.209000 1.950000 
1 1 1  -34   20   15 o   11.220   0.7846   10.360   1.1430   12.090   1.0750 -1.733000 1.569000 
1 1 1  -34   20   16 f   32.030   0.3389   32.120   0.4619   31.930   0.4960 0.1882000 0.6777000 
1 1 1  -34   20   17 o   15.950   0.5162   16.840   0.6721   15.050   0.7836 1.788000 1.032000 
1 1 1  -34   20   18 o   3.2760   1.0570   2.8690   1.3620   3.6820   1.6160 -0.8131000 2.114000 
1 1 1  -34   20   19 o   8.9830   0.9375   9.6860   1.1640   8.2800   1.4700 1.406000 1.875000 
1 1 1  -34   20   20 o   13.940   0.6027   13.900   0.8350   13.970   0.8693 -0.6561000E-01 1.205000 
1 1 1  -34   20   21 o   8.0850   1.4680   5.8460   2.3060   10.320   1.8170 -4.478000 2.936000 
1 1 1  -34   20   22 o   4.2440   1.3710   3.9100   1.8630   4.5780   2.0110 -0.6684000 2.741000 
1 1 1  -34   20   23 o   11.040   0.8332   12.580   0.9501   9.4900   1.3690 3.091000 1.666000 
1 1 1  -34   20   24 o   3.8540   1.1620   3.0080   1.4340   4.7000   1.8290 -1.693000 2.324000 
1 1 1  -34   20   25 o   5.9100   1.3050   5.0600   1.8520   6.7600   1.8380 -1.699000 2.609000 
1 1 1  -34   20   26 o   9.6360   0.9821   8.2860   1.5680   10.990   1.1830 -2.699000 1.964000 
1 1 1  -34   20   27 o   9.6560   1.0060   11.380   1.1260   7.9310   1.6680 3.449000 2.013000 
1 1 1  -34   20   28 o   3.2270   1.0880   3.3160   1.5700   3.1390   1.5070 0.1770000 2.176000 
1 1 1  -34   20   29 o   3.0340   1.0140   2.7630   1.3420   3.3060   1.5210 -0.5423000 2.029000 
1 1 1  -34   22    1 o   6.2690   1.2670   4.9990   1.8790   7.5390   1.7020 -2.540000 2.535000 
1 1 1  -34   22    2 o   26.050   0.4144   25.240   0.5969   26.870   0.5750 -1.637000 0.8288000 
1 1 1  -34   22    3 o   21.100   0.4293   20.580   0.5713   21.630   0.6410 -1.046000 0.8586000 
1 1 1  -34   22    4 o   8.0830   1.0010   6.0520   1.6970   10.110   1.0600 -4.062000 2.001000 
1 1 1  -34   22    5 o   19.490   0.4322   19.780   0.5842   19.210   0.6372 0.5682000 0.8645000 
1 1 1  -34   22    6 o   10.330   0.7646   10.600   0.9934   10.050   1.1630 0.5492000 1.529000 
1 1 1  -34   22    7 o   9.9880   0.9258   11.070   0.9643   8.9090   1.5810 2.158000 1.852000 
1 1 1  -34   22    8 o   4.1740   1.2540   4.0720   1.7320   4.2770   1.8150 -0.2055000 2.509000 
1 1 1  -34   22    9 o   12.280   0.7754   11.850   1.0840   12.710   1.1100 -0.8578000 1.551000 
1 1 1  -34   22   10 o   10.410   0.9539   8.8570   1.4840   11.960   1.1990 -3.106000 1.908000 
1 1 1  -34   22   11 o   19.130   0.5175   19.220   0.7111   19.050   0.7521 0.1771000 1.035000 
1 1 1  -34   22   12 o   10.550   0.8385   10.330   1.2610   10.780   1.1050 -0.4530000 1.677000 
1 1 1  -34   22   13 o   13.840   0.5874   13.550   0.8146   14.130   0.8465 -0.5781000 1.175000 
1 1 1  -34   22   14 o   15.160   0.5479   15.630   0.6966   14.680   0.8459 0.9550000 1.096000 
1 1 1  -34   22   15 o   6.4260   1.2080   6.5890   1.5890   6.2640   1.8210 0.3253000 2.416000 
1 1 1  -34   22   16 o   7.8290   1.0740   6.5600   1.6450   9.0990   1.3830 -2.540000 2.149000 
1 1 1  -34   22   17 o   4.2990   1.1820   5.1270   1.7630   3.4710   1.5740 1.656000 2.364000 
1 1 1  -34   22   18 o   4.1840   1.2630   4.6140   1.8620   3.7530   1.7070 0.8602000 2.527000 
1 1 1  -34   22   19 o   5.0410   1.4980   4.2690   1.9890   5.8130   2.2410 -1.544000 2.997000 
1 1 1  -34   22   20 o   8.2930   1.2640   8.5130   1.6680   8.0730   1.9000 0.4405000 2.528000 
1 1 1  -34   22   21 o   8.4920   1.0800   8.4300   1.4650   8.5550   1.5880 -0.1250000 2.160000 
1 1 1  -34   22   22 o   7.3390   1.2260   8.5650   1.5040   6.1130   1.9370 2.452000 2.452000 
1 1 1  -34   22   23 o   7.1840   1.2380   7.1110   1.7590   7.2560   1.7440 -0.1451000 2.476000 
1 1 1  -34   22   24 o   3.0880   1.0360   3.3960   1.5620   2.7800   1.3600 0.6161000 2.071000 
1 1 1  -34   22   25 o   3.4840   1.1400   2.9400   1.4320   4.0290   1.7750 -1.088000 2.281000 
1 1 1  -34   22   26 o   3.5220   1.1500   3.4450   1.5990   3.5980   1.6530 -0.1523000 2.300000 
1 1 1  -34   22   27 o   2.2140   0.7903   2.1530   1.0890   2.2750   1.1460 -0.1224000 1.581000 
1 1 1  -34   24    1 f   6.9110   1.1400   5.3510   1.7830   8.4720   1.4220 -3.121000 2.281000 
1 1 1  -34   24    2 o   9.6540   0.8669   9.7440   1.2070   9.5650   1.2450 0.1787000 1.734000 
1 1 1  -34   24    3 o   20.810   0.4243   20.950   0.5898   20.670   0.6101 0.2862000 0.8485000 
1 1 1  -34   24    4 o   16.360   0.5137   16.750   0.7070   15.970   0.7456 0.7803000 1.027000 
1 1 1  -34   24    5 o   9.5090   0.8855   9.1900   1.2400   9.8270   1.2650 -0.6377000 1.771000 
1 1 1  -34   24    6 o   6.5840   1.1980   6.7540   1.6190   6.4140   1.7660 0.3397000 2.396000 
1 1 1  -34   24    7 o   13.100   0.6373   13.950   0.8039   12.240   0.9891 1.712000 1.275000 
1 1 1  -34   24    8 o   12.560   0.6524   12.630   0.8804   12.500   0.9631 0.1312000 1.305000 
1 1 1  -34   24    9 o   12.100   0.7012   13.580   0.8270   10.620   1.1330 2.960000 1.402000 
1 1 1  -34   24   10 f   4.4020   1.1950   3.3690   1.5310   5.4350   1.8360 -2.066000 2.391000 
1 1 1  -34   24   11 o   9.0760   0.9227   8.5890   1.3420   9.5630   1.2660 -0.9742000 1.845000 
1 1 1  -34   24   12 o   14.640   0.5925   14.960   0.8069   14.320   0.8678 0.6328000 1.185000 
1 1 1  -34   24   13 o   3.1110   1.0560   2.9000   1.4160   3.3210   1.5670 -0.4212000 2.112000 
1 1 1  -34   24   14 o   5.4020   1.3640   6.2650   1.9800   4.5400   1.8770 1.724000 2.729000 
1 1 1  -34   24   15 o   13.820   0.7598   14.610   1.0080   13.030   1.1370 1.581000 1.520000 
1 1 1  -34   24   16 o   7.4500   1.3120   6.8440   1.8740   8.0560   1.8360 -1.212000 2.624000 
1 1 1  -34   24   17 o   6.5360   1.3310   7.9670   1.7480   5.1050   2.0090 2.861000 2.663000 
1 1 1  -34   24   18 o   8.3250   1.1090   8.1990   1.5340   8.4510   1.6030 -0.2528000 2.219000 
1 1 1  -34   24   19 o   5.4990   1.3070   4.6290   1.8190   6.3680   1.8780 -1.739000 2.615000 
1 1 1  -34   24   20 f   8.9620   1.0280   7.9040   1.5580   10.020   1.3400 -2.117000 2.055000 
1 1 1  -34   24   21 o   3.4910   1.1270   3.1590   1.4930   3.8220   1.6870 -0.6633000 2.253000 
1 1 1  -34   24   22 o   4.2040   1.2790   3.7050   1.6900   4.7030   1.9200 -0.9977000 2.557000 
1 1 1  -34   24   23 o   3.2920   1.0990   3.4960   1.6190   3.0870   1.4860 0.4087000 2.198000 
1 1 1  -34   24   24 o   2.8160   0.9647   2.7510   1.3380   2.8810   1.3900 -0.1304000 1.929000 
1 1 1  -34   24   25 f   2.7920   0.9684   3.0060   1.4610   2.5780   1.2710 0.4285000 1.937000 
1 1 1  -34   26    1 o   8.4830   1.1450   8.4150   1.6410   8.5520   1.5970 -0.1373000 2.290000 
1 1 1  -34   26    2 o   12.290   0.8061   13.080   1.0770   11.510   1.2000 1.572000 1.612000 
1 1 1  -34   26    3 o   7.8330   1.2130   6.0860   1.9430   9.5810   1.4540 -3.495000 2.426000 
1 1 1  -34   26    4 o   3.9390   1.2270   3.8790   1.7230   3.9990   1.7470 -0.1199000 2.454000 
1 1 1  -34   26    5 o   7.9230   1.2520   9.0130   1.5310   6.8340   1.9820 2.179000 2.504000 
1 1 1  -34   26    6 o   12.890   0.7661   12.110   1.1000   13.660   1.0660 -1.549000 1.532000 
1 1 1  -34   26    7 o   8.6590   1.1760   8.0730   1.7150   9.2450   1.6100 -1.171000 2.352000 
1 1 1  -34   26    8 o   17.600   0.5989   18.110   0.8023   17.090   0.8895 1.016000 1.198000 
1 1 1  -34   26    9 o   12.670   0.6874   12.630   0.9303   12.710   1.0120 -0.7376000E-01 1.375000 
1 1 1  -34   26   10 o   11.130   0.7933   11.010   1.1080   11.240   1.1360 -0.2232000 1.587000 
1 1 1  -34   26   11 o   7.8450   1.2440   9.3900   1.4900   6.2990   1.9940 3.091000 2.489000 
1 1 1  -34   26   12 o   6.8050   1.3660   6.4940   1.9350   7.1150   1.9290 -0.6215000 2.732000 
1 1 1  -34   26   13 o   4.8450   1.3370   3.9430   1.7450   5.7460   2.0250 -1.803000 2.674000 
1 1 1  -34   26   14 o   6.4540   1.3950   6.4770   1.9460   6.4320   1.9990 0.4501000E-01 2.790000 
1 1 1  -34   26   15 o   11.170   0.8314   12.540   0.9783   9.7910   1.3440 2.753000 1.663000 
1 1 1  -34   26   16 o   5.0140   1.3050   5.3220   1.8470   4.7060   1.8430 0.6159000 2.610000 
1 1 1  -34   26   17 o   4.9370   1.2640   3.8110   1.6600   6.0630   1.9060 -2.252000 2.528000 
1 1 1  -34   26   18 o   3.9600   1.2050   4.2400   1.7460   3.6800   1.6600 0.5599000 2.409000 
1 1 1  -34   26   19 o   3.3830   1.1230   3.6450   1.6690   3.1210   1.5040 0.5234000 2.247000 
1 1 1  -34   26   20 o   3.2490   1.0830   3.8950   1.7350   2.6030   1.2980 1.291000 2.167000 
1 1 1  -34   26   21 o   3.6700   1.1480   3.3510   1.5440   3.9890   1.6990 -0.6385000 2.296000 
1 1 1  -34   26   22 o   2.2500   0.8012   2.2010   1.1100   2.2980   1.1550 -0.9727000E-01 1.602000 
1 1 1  -34   28    1 o   7.1710   1.2510   7.7150   1.6290   6.6260   1.8990 1.088000 2.502000 
1 1 1  -34   28    2 o   8.1780   1.1410   6.6380   1.7990   9.7180   1.4020 -3.079000 2.281000 
1 1 1  -34   28    3 o   4.1490   1.2430   3.8720   1.6950   4.4260   1.8200 -0.5537000 2.487000 
1 1 1  -34   28    4 o   10.420   0.9694   11.960   1.2430   8.8740   1.4880 3.090000 1.939000 
1 1 1  -34   28    5 o   6.0920   1.3160   6.1850   1.8300   5.9990   1.8920 0.1863000 2.632000 
1 1 1  -34   28    6 o   9.7760   0.9266   9.7420   1.2690   9.8110   1.3500 -0.6841000E-01 1.853000 
1 1 1  -34   28    7 o   8.1530   1.1290   7.6610   1.6450   8.6450   1.5480 -0.9839000 2.259000 
1 1 1  -34   28    8 f   8.4710   1.0900   9.1580   1.3430   7.7830   1.7170 1.375000 2.180000 
1 1 1  -34   28    9 o   2.9490   0.9986   3.2320   1.4990   2.6660   1.3190 0.5658000 1.997000 
1 1 1  -34   28   10 o   3.9310   1.1800   4.5390   1.7750   3.3230   1.5550 1.216000 2.359000 
1 1 1  -34   28   11 o   10.010   0.9396   11.200   1.1080   8.8210   1.5180 2.374000 1.879000 
1 1 1  -34   28   12 o   2.7230   0.9430   2.7740   1.3500   2.6730   1.3170 0.1010000 1.886000 
1 1 1  -34   28   13 o   10.500   1.0010   11.690   1.1870   9.3030   1.6120 2.390000 2.002000 
1 1 1  -34   28   14 o   5.1980   1.3760   4.7970   1.9010   5.6000   1.9900 -0.8029000 2.752000 
1 1 1  -34   28   15 o   3.9240   1.2440   4.1890   1.7880   3.6590   1.7310 0.5302000 2.489000 
1 1 1  -34   28   16 o   3.2670   1.0910   3.0290   1.4600   3.5050   1.6230 -0.4757000 2.183000 
1 1 1  -34   28   17 o   2.8670   0.9753   3.0070   1.4260   2.7270   1.3310 0.2798000 1.951000 
1 1 1  -34   28   18 o   2.7510   0.9437   2.8710   1.3780   2.6310   1.2900 0.2404000 1.887000 
1 1 1  -34   28   19 o   2.4360   0.8764   2.3620   1.2190   2.5100   1.2590 -0.1475000 1.753000 
1 1 1  -34   30    1 o   7.5630   1.3290   7.3660   1.8780   7.7600   1.8820 -0.3937000 2.659000 
1 1 1  -34   30    2 o   2.8690   0.9952   3.1620   1.5150   2.5760   1.2910 0.5867000 1.990000 
1 1 1  -34   30    3 o   3.9160   1.2380   4.1110   1.7910   3.7210   1.7090 0.3900000 2.476000 
1 1 1  -34   30    4 o   3.3220   1.1320   3.1030   1.4870   3.5420   1.7070 -0.4390000 2.264000 
1 1 1  -34   30    5 o   8.6550   1.1660   8.8250   1.5690   8.4850   1.7250 0.3400000 2.332000 
1 1 1  -34   30    6 o   3.6820   1.1820   3.3980   1.5840   3.9660   1.7560 -0.5682000 2.364000 
1 1 1  -34   30    7 o   2.9990   1.0240   3.4000   1.5860   2.5970   1.2950 0.8028000 2.047000 
1 1 1  -34   30    8 o   6.1040   1.2220   8.1550   1.6980   4.0520   1.7590 4.103000 2.445000 
1 1 1  -34   30    9 o   2.3180   0.8234   2.2970   1.1550   2.3400   1.1740 -0.4272000E-01 1.647000 
1 1 1  -34   30   10 o   2.4110   0.8507   2.4160   1.2050   2.4060   1.2010 0.1031000E-01 1.701000 
1 1 1  -34   30   11 o   5.5140   1.1460   3.4460   1.6040   7.5820   1.6380 -4.137000 2.293000 
1 1 1  -34   30   12 o   4.5420   1.2560   4.4930   1.7620   4.5900   1.7900 -0.9720000E-01 2.512000 
1 1 1  -34   30   13 o   2.3750   0.8395   2.2800   1.1450   2.4700   1.2280 -0.1897000 1.679000 
1 1 1  -34   30   14 o   2.2370   0.7955   2.2500   1.1300   2.2250   1.1210 0.2583000E-01 1.591000 
1 1 1  -34   32    1 o   1.2790   0.6674   1.2790   0.6674  ?   ?       ?      ? 
1 1 1  -34   32    2 o   2.3950   1.2180   2.3950   1.2180  ?   ?       ?      ? 
1 1 1  -34   32    3 o   2.2230   1.1390   2.2230   1.1390  ?   ?       ?      ? 
1 1 1  -34   32    4 o   1.9780   1.0280   1.9780   1.0280  ?   ?       ?      ? 
1 1 1  -33    1    1 o   50.900   0.4723   49.950   0.6563   51.850   0.6793 -1.895000 0.9446000 
1 1 1  -33    1    2 o   93.200   0.6386   92.240   0.8254   94.150   0.9747 -1.905000 1.277000 
1 1 1  -33    1    3 o   92.510   0.5853   92.130   0.8241   92.900   0.8314 -0.7644000 1.171000 
1 1 1  -33    1    4 o   85.180   0.5396   83.970   0.7521   86.380   0.7739 -2.412000 1.079000 
1 1 1  -33    1    5 o   77.380   0.5309   77.050   0.6908   77.710   0.8064 -0.6557000 1.062000 
1 1 1  -33    1    6 f   61.340   0.4256   61.280   0.5559   61.410   0.6446 -0.1255000 0.8512000 
1 1 1  -33    1    7 o   44.710   0.3460   45.550   0.4962   43.860   0.4823 1.690000 0.6920000 
1 1 1  -33    1    8 o   38.390   0.2894   38.480   0.4398   38.310   0.3763 0.1666000 0.5788000 
1 1 1  -33    1    9 o   9.3490   0.4064   10.070   0.5393   8.6260   0.6082 1.446000 0.8129000 
1 1 1  -33    1   10 o   56.660   0.3694   56.940   0.5252   56.380   0.5194 0.5608000 0.7387000 
1 1 1  -33    1   11 o   29.060   0.2474   29.010   0.3503   29.110   0.3495 -0.9785000E-01 0.4948000 
1 1 1  -33    1   12 o   29.450   0.3236   30.360   0.4991   28.540   0.4120 1.817000 0.6472000 
1 1 1  -33    1   13 o   59.670   0.4530   59.840   0.6441   59.500   0.6372 0.3391000 0.9060000 
1 1 1  -33    1   14 o   31.700   0.2710   31.740   0.3829   31.670   0.3835 0.6813000E-01 0.5419000 
1 1 1  -33    1   15 o   72.350   0.4679   72.240   0.6608   72.450   0.6627 -0.2052000 0.9358000 
1 1 1  -33    1   16 o   25.860   0.2890   25.940   0.4126   25.780   0.4048 0.1627000 0.5780000 
1 1 1  -33    1   17 o   30.040   0.2902   30.180   0.4131   29.890   0.4077 0.2878000 0.5804000 
1 1 1  -33    1   18 o   67.020   0.4413   67.250   0.6264   66.780   0.6217 0.4693000 0.8825000 
1 1 1  -33    1   19 o   66.840   0.4406   66.980   0.6245   66.710   0.6216 0.2718000 0.8811000 
1 1 1  -33    1   20 o   33.190   0.2960   33.430   0.4218   32.950   0.4153 0.4751000 0.5919000 
1 1 1  -33    1   21 o   17.180   0.4307   17.720   0.6021   16.630   0.6161 1.088000 0.8615000 
1 1 1  -33    1   22 o   34.930   0.4096   34.850   0.5755   35.020   0.5831 -0.1716000 0.8193000 
1 1 1  -33    1   23 o   11.690   0.5267   10.320   0.8100   13.070   0.6733 -2.745000 1.053000 
1 1 1  -33    1   24 o   23.570   0.3087   23.440   0.4328   23.700   0.4402 -0.2580000 0.6173000 
1 1 1  -33    1   25 o   23.890   0.3081   23.730   0.4339   24.050   0.4376 -0.3170000 0.6163000 
1 1 1  -33    1   26 f   20.070   0.4063   20.180   0.5501   19.950   0.5981 0.2282000 0.8126000 
1 1 1  -33    1   27 o   4.0480   1.2160   3.5770   1.6260   4.5190   1.8090 -0.9415000 2.432000 
1 1 1  -33    1   28 o   17.270   0.4002   16.740   0.5762   17.800   0.5556 -1.060000 0.8005000 
1 1 1  -33    1   29 o   20.980   0.3608   21.110   0.5032   20.860   0.5172 0.2526000 0.7216000 
1 1 1  -33    1   30 f   6.1360   1.1080   6.9380   1.4470   5.3340   1.6790 1.604000 2.216000 
1 1 1  -33    1   31 o   4.9780   1.2140   5.3280   1.7220   4.6280   1.7120 0.6999000 2.428000 
1 1 1  -33    1   32 o   10.320   0.7703   9.9120   1.1360   10.730   1.0400 -0.8200000 1.541000 
1 1 1  -33    1   33 o   8.2560   1.1170   8.9330   1.3030   7.5790   1.8150 1.354000 2.234000 
1 1 1  -33    1   34 o   12.350   1.1360   13.130   1.1010   11.560   1.9880 1.572000 2.272000 
1 1 1  -33    1   35 o   3.0660   1.0550   3.2370   1.5390   2.8940   1.4450 0.3430000 2.111000 
1 1 1  -33    1   36 o   3.1010   1.0700   3.0470   1.4780   3.1550   1.5470 -0.1086000 2.140000 
1 1 1  -33    3    1 o   40.920   0.3337   41.080   0.3972   40.770   0.5363 0.3105000 0.6674000 
1 1 1  -33    3    2 o   23.640   0.4044   23.640   0.4044  ?   ?       ?      ? 
1 1 1  -33    3    3 o   60.500   0.7897   60.500   0.7897  ?   ?       ?      ? 
1 1 1  -33    3    4 o   89.850   1.1430   89.850   1.1430  ?   ?       ?      ? 
1 1 1  -33    3    5 o   85.940   1.0950   85.940   1.0950  ?   ?       ?      ? 
1 1 1  -33    3    6 o   46.080   0.3566   46.750   0.5113   45.410   0.4971 1.342000 0.7132000 
1 1 1  -33    3    7 o   29.950   0.2326   29.910   0.3328   30.000   0.3251 -0.9036000E-01 0.4652000 
1 1 1  -33    3    8 o   67.660   0.5031   68.180   0.7180   67.140   0.7048 1.042000 1.006000 
1 1 1  -33    3    9 o   36.290   0.3669   36.530   0.5178   36.060   0.5199 0.4717000 0.7337000 
1 1 1  -33    3   10 o   67.550   0.5008   66.550   0.6984   68.560   0.7180 -2.015000 1.002000 
1 1 1  -33    3   11 o   42.800   0.3405   42.340   0.4781   43.260   0.4850 -0.9223000 0.6811000 
1 1 1  -33    3   12 o   50.790   0.3422   51.050   0.4864   50.520   0.4815 0.5303000 0.6844000 
1 1 1  -33    3   13 o   55.180   0.3686   55.090   0.5212   55.270   0.5215 -0.1853000 0.7373000 
1 1 1  -33    3   14 o   59.530   0.4568   59.790   0.6498   59.270   0.6422 0.5249000 0.9136000 
1 1 1  -33    3   15 o   38.730   0.2983   39.000   0.4238   38.470   0.4200 0.5316000 0.5966000 
1 1 1  -33    3   16 o   37.410   0.2972   37.070   0.4224   37.760   0.4183 -0.6941000 0.5945000 
1 1 1  -33    3   17 o   24.230   0.3065   23.530   0.4366   24.930   0.4302 -1.402000 0.6129000 
1 1 1  -33    3   18 o   49.710   0.3501   49.490   0.4955   49.920   0.4948 -0.4292000 0.7002000 
1 1 1  -33    3   19 o   33.490   0.2971   33.620   0.4198   33.360   0.4206 0.2582000 0.5943000 
1 1 1  -33    3   20 o   6.2040   1.0880   7.4330   1.4060   4.9740   1.6600 2.459000 2.175000 
1 1 1  -33    3   21 o   19.800   0.3953   19.630   0.5696   19.970   0.5482 -0.3406000 0.7905000 
1 1 1  -33    3   22 o   38.220   0.3478   38.290   0.4856   38.150   0.4981 0.1323000 0.6956000 
1 1 1  -33    3   23 o   19.040   0.3650   18.630   0.5248   19.450   0.5076 -0.8242000 0.7301000 
1 1 1  -33    3   24 o   10.780   0.5479   11.310   0.7114   10.260   0.8335 1.051000 1.096000 
1 1 1  -33    3   25 o   6.9060   0.8939   7.4590   1.1300   6.3530   1.3860 1.106000 1.788000 
1 1 1  -33    3   26 o   25.390   0.3542   24.770   0.4815   26.020   0.5196 -1.246000 0.7084000 
1 1 1  -33    3   27 o   16.310   0.4779   15.840   0.6816   16.780   0.6701 -0.9387000 0.9558000 
1 1 1  -33    3   28 o   28.860   0.3121   28.610   0.4369   29.110   0.4457 -0.5006000 0.6241000 
1 1 1  -33    3   29 o   23.370   0.3483   23.040   0.4898   23.700   0.4953 -0.6687000 0.6965000 
1 1 1  -33    3   30 o   8.6200   1.0490   8.5160   1.2150   8.7250   1.7110 -0.2096000 2.099000 
1 1 1  -33    3   31 o   4.5880   1.3040   4.0450   1.6410   5.1320   2.0290 -1.087000 2.609000 
1 1 1  -33    3   32 o   14.580   0.7357   16.280   0.7376   12.880   1.2730 3.403000 1.471000 
1 1 1  -33    3   33 o   3.7780   1.2140   3.5600   1.5890   3.9960   1.8370 -0.4363000 2.429000 
1 1 1  -33    3   34 o   8.0250   1.2290   6.6960   1.9040   9.3540   1.5560 -2.659000 2.459000 
1 1 1  -33    3   35 o   10.160   0.9937   10.480   1.3280   9.8310   1.4790 0.6534000 1.987000 
1 1 1  -33    3   36 o   6.4120   1.2410   7.2540   1.6630   5.5710   1.8420 1.683000 2.482000 
1 1 1  -33    5    1 o   81.760   0.5999   81.540   0.8462   81.980   0.8506 -0.4421000 1.200000 
1 1 1  -33    5    2 o   43.660   0.6212   44.050   0.8786   43.260   0.8785 0.7888000 1.242000 
1 1 1  -33    5    3 o   36.580   0.5668   35.500   0.7790   37.650   0.8235 -2.152000 1.134000 
1 1 1  -33    5    4 o   89.500   1.1460   89.000   1.6110   89.990   1.6310 -0.9910000 2.293000 
1 1 1  -33    5    5 o   58.040   1.0890   58.040   1.0890  ?   ?       ?      ? 
1 1 1  -33    5    6 f   38.960   0.8240   38.960   0.8240  ?   ?       ?      ? 
1 1 1  -33    5    7 o   51.220   0.4272   51.890   0.5531   50.560   0.6513 1.335000 0.8545000 
1 1 1  -33    5    8 o   90.810   0.7040   91.230   0.8198   90.380   1.1450 0.8514000 1.408000 
1 1 1  -33    5    9 o   18.760   0.3676   18.600   0.4332   18.920   0.5939 -0.3283000 0.7351000 
1 1 1  -33    5   10 o   49.610   0.4053   49.520   0.4752   49.700   0.6566 -0.1789000 0.8105000 
1 1 1  -33    5   11 o   87.360   0.6816   87.410   0.7887   87.300   1.1120 0.1112000 1.363000 
1 1 1  -33    5   12 o   41.230   0.3034   41.310   0.4278   41.150   0.4302 0.1560000 0.6067000 
1 1 1  -33    5   13 o   53.470   0.3630   53.260   0.5102   53.690   0.5164 -0.4311000 0.7259000 
1 1 1  -33    5   14 o   63.870   0.4886   63.860   0.6911   63.880   0.6910 -0.2461000E-01 0.9773000 
1 1 1  -33    5   15 o   49.800   0.3979   50.740   0.5706   48.860   0.5547 1.884000 0.7957000 
1 1 1  -33    5   16 o   11.130   0.5526   10.440   0.8091   11.820   0.7529 -1.380000 1.105000 
1 1 1  -33    5   17 o   23.670   0.3206   24.430   0.4441   22.900   0.4625 1.533000 0.6412000 
1 1 1  -33    5   18 o   28.300   0.3048   28.300   0.4330   28.300   0.4292 -0.2964000E-02 0.6097000 
1 1 1  -33    5   19 o   78.550   0.5922   78.330   0.8362   78.760   0.8388 -0.4230000 1.184000 
1 1 1  -33    5   20 o   28.320   0.3494   28.200   0.4939   28.440   0.4945 -0.2455000 0.6989000 
1 1 1  -33    5   21 o   26.980   0.2975   27.100   0.4215   26.870   0.4199 0.2225000 0.5950000 
1 1 1  -33    5   22 o   10.350   0.6384   10.390   0.8527   10.310   0.9504 0.7521000E-01 1.277000 
1 1 1  -33    5   23 o   15.670   0.4489   15.770   0.5902   15.580   0.6765 0.1956000 0.8978000 
1 1 1  -33    5   24 f   9.9900   0.6028   9.9620   0.8151   10.020   0.8884 -0.5544000E-01 1.206000 
1 1 1  -33    5   25 o   18.170   0.4238   18.480   0.5593   17.870   0.6368 0.6049000 0.8475000 
1 1 1  -33    5   26 o   8.0490   0.8404   7.6180   1.1030   8.4810   1.2680 -0.8630000 1.681000 
1 1 1  -33    5   27 o   11.680   0.7317   11.840   0.8927   11.520   1.1590 0.3212000 1.463000 
1 1 1  -33    5   28 o   10.410   0.7763   10.350   0.8510   10.460   1.2990 -0.1049000 1.553000 
1 1 1  -33    5   29 o   17.540   0.5153   17.560   0.5733   17.520   0.8564 0.4255000E-01 1.031000 
1 1 1  -33    5   30 o   12.980   0.6411   13.660   0.7625   12.300   1.0310 1.366000 1.282000 
1 1 1  -33    5   31 o   5.3990   1.2360   4.9060   1.7300   5.8920   1.7660 -0.9857000 2.472000 
1 1 1  -33    5   32 o   6.9310   1.1490   8.0760   1.4270   5.7870   1.8020 2.289000 2.299000 
1 1 1  -33    5   33 o   4.4900   1.2760   5.1350   1.8960   3.8460   1.7080 1.289000 2.552000 
1 1 1  -33    5   34 o   6.9170   1.2360   7.2120   1.6620   6.6210   1.8290 0.5911000 2.472000 
1 1 1  -33    5   35 o   8.0770   1.2220   7.3990   1.8220   8.7560   1.6300 -1.357000 2.445000 
1 1 1  -33    5   36 o   2.0860   0.7509   2.2520   1.1360   1.9200   0.9820 0.3313000 1.502000 
1 1 1  -33    7    1 o   41.910   0.2963   42.110   0.4191   41.710   0.4188 0.4031000 0.5925000 
1 1 1  -33    7    2 o   39.810   0.3997   39.570   0.5640   40.060   0.5666 -0.4863000 0.7994000 
1 1 1  -33    7    3 o  115.300   0.7922  117.000   1.2130  113.700   1.0190 3.301000 1.584000 
1 1 1  -33    7    5 o   61.520   0.4973   61.700   0.8187   61.340   0.5649 0.3607000 0.9947000 
1 1 1  -33    7    6 o   53.470   0.3546   53.430   0.5003   53.500   0.5026 -0.7086000E-01 0.7091000 
1 1 1  -33    7    7 o   34.610   0.2788   34.360   0.4090   34.850   0.3791 -0.4879000 0.5577000 
1 1 1  -33    7    8 o   50.330   0.4498   50.240   0.5596   50.430   0.7044 -0.1861000 0.8996000 
1 1 1  -33    7    9 o   36.820   0.3348   36.440   0.4709   37.200   0.4759 -0.7654000 0.6695000 
1 1 1  -33    7   10 o   11.230   0.4943   11.250   0.6551   11.210   0.7404 0.4526000E-01 0.9886000 
1 1 1  -33    7   11 o   37.890   0.3591   37.890   0.4170   37.890   0.5848 -0.3265000E-02 0.7183000 
1 1 1  -33    7   12 o   73.800   0.5880   72.960   0.6700   74.640   0.9665 -1.677000 1.176000 
1 1 1  -33    7   13 o   77.990   0.6195   77.760   0.7134   78.220   1.0130 -0.4573000 1.239000 
1 1 1  -33    7   14 o   56.950   0.6368   57.360   0.6440   56.540   1.0990 0.8189000 1.274000 
1 1 1  -33    7   15 o   40.400   0.3877   40.240   0.4462   40.560   0.6342 -0.3203000 0.7754000 
1 1 1  -33    7   16 o   31.360   0.3726   30.970   0.4269   31.750   0.6107 -0.7769000 0.7451000 
1 1 1  -33    7   17 o   28.090   0.3575   27.160   0.4971   29.020   0.5140 -1.858000 0.7151000 
1 1 1  -33    7   18 o   44.500   0.3864   44.150   0.5472   44.860   0.5458 -0.7139000 0.7728000 
1 1 1  -33    7   19 o   14.560   0.4879   13.700   0.6554   15.420   0.7230 -1.716000 0.9759000 
1 1 1  -33    7   20 o   5.3030   1.0900   5.3010   1.5200   5.3050   1.5640 -0.3702000E-02 2.181000 
1 1 1  -33    7   21 o   22.880   0.3216   22.570   0.4461   23.180   0.4633 -0.6142000 0.6432000 
1 1 1  -33    7   22 o   38.900   0.3977   39.060   0.4908   38.730   0.6260 0.3233000 0.7955000 
1 1 1  -33    7   23 o   22.690   0.4124   22.720   0.4805   22.660   0.6705 0.5719000E-01 0.8249000 
1 1 1  -33    7   24 o   3.1770   1.0850   2.6920   1.2690   3.6630   1.7610 -0.9709000 2.170000 
1 1 1  -33    7   25 o   7.1760   1.0540   7.4860   1.1360   6.8670   1.7740 0.6190000 2.107000 
1 1 1  -33    7   26 o   8.3140   0.8402   8.1670   1.0590   8.4620   1.3050 -0.2949000 1.680000 
1 1 1  -33    7   27 o   8.5760   0.9748   10.200   1.0920   6.9470   1.6150 3.257000 1.950000 
1 1 1  -33    7   28 o   26.720   0.3275   26.900   0.4530   26.540   0.4731 0.3525000 0.6550000 
1 1 1  -33    7   29 o   3.8280   1.1110   3.8770   1.5660   3.7780   1.5770 0.9938000E-01 2.222000 
1 1 1  -33    7   30 o   13.190   0.5853   12.200   0.8546   14.180   0.8001 -1.984000 1.171000 
1 1 1  -33    7   31 f   10.940   0.7854   12.480   0.9198   9.3950   1.2730 3.088000 1.571000 
1 1 1  -33    7   32 o   6.5460   1.3420   5.4280   1.9760   7.6640   1.8170 -2.236000 2.685000 
1 1 1  -33    7   33 o   13.700   0.6469   13.660   0.8864   13.750   0.9426 -0.8480000E-01 1.294000 
1 1 1  -33    7   34 o   3.4810   1.1180   3.3430   1.5400   3.6190   1.6220 -0.2768000 2.237000 
1 1 1  -33    7   35 o   2.8520   0.9819   3.3550   1.5670   2.3500   1.1840 1.006000 1.964000 
1 1 1  -33    7   36 o   2.4050   0.8538   2.3680   1.1880   2.4420   1.2270 -0.7406000E-01 1.708000 
1 1 1  -33    9    1 o   45.610   0.3588   46.040   0.5504   45.190   0.4605 0.8442000 0.7177000 
1 1 1  -33    9    2 o   47.140   0.3880   47.470   0.5529   46.820   0.5446 0.6497000 0.7760000 
1 1 1  -33    9    3 o   30.900   0.3285   30.880   0.4679   30.910   0.4611 -0.3439000E-01 0.6569000 
1 1 1  -33    9    4 o   26.220   0.3357   26.680   0.4606   25.750   0.4886 0.9263000 0.6715000 
1 1 1  -33    9    5 o   58.120   0.4493   58.230   0.6346   58.020   0.6363 0.2038000 0.8987000 
1 1 1  -33    9    6 o   37.660   0.3469   37.690   0.4839   37.630   0.4970 0.6169000E-01 0.6937000 
1 1 1  -33    9    7 f   42.930   0.4088   44.310   0.5290   41.540   0.6233 2.763000 0.8175000 
1 1 1  -33    9    8 o   10.090   0.5955   9.8410   0.7948   10.350   0.8869 -0.5046000 1.191000 
1 1 1  -33    9    9 o   25.460   0.3094   25.540   0.4188   25.380   0.4555 0.1637000 0.6187000 
1 1 1  -33    9   10 o   38.650   0.3116   38.380   0.4316   38.930   0.4496 -0.5468000 0.6232000 
1 1 1  -33    9   11 o   46.520   0.3404   46.430   0.4775   46.610   0.4853 -0.1735000 0.6808000 
1 1 1  -33    9   12 o   48.270   0.3496   48.600   0.4933   47.940   0.4955 0.6570000 0.6992000 
1 1 1  -33    9   13 o   15.840   0.5746   15.450   0.8296   16.240   0.7952 -0.7979000 1.149000 
1 1 1  -33    9   14 o   24.940   0.3362   24.570   0.4669   25.310   0.4840 -0.7396000 0.6724000 
1 1 1  -33    9   15 o   9.1710   0.8945   8.8890   1.2350   9.4530   1.2940 -0.5636000 1.789000 
1 1 1  -33    9   16 o   7.1740   1.2700   6.4040   1.6810   7.9430   1.9030 -1.538000 2.539000 
1 1 1  -33    9   17 o   8.4070   1.4180   9.0890   1.0560   7.7240   2.6330 1.366000 2.837000 
1 1 1  -33    9   18 o   5.9600   1.5260   5.9600   1.5260  ?   ?       ?      ? 
1 1 1  -33    9   19 o   16.140   0.5984   16.140   0.5984  ?   ?       ?      ? 
1 1 1  -33    9   20 o   27.360   0.4327   27.360   0.4327  ?   ?       ?      ? 
1 1 1  -33    9   21 o   55.820   0.5482   55.820   0.5482  ?   ?       ?      ? 
1 1 1  -33    9   22 o   14.380   0.6001   14.810   0.7211   13.960   0.9593 0.8484000 1.200000 
1 1 1  -33    9   23 o   17.380   0.4443   16.700   0.6010   18.070   0.6544 -1.364000 0.8885000 
1 1 1  -33    9   24 o   3.3110   0.9898   2.5210   1.1980   4.1000   1.5760 -1.578000 1.980000 
1 1 1  -33    9   25 o   18.040   0.3824   18.220   0.5086   17.860   0.5711 0.3574000 0.7648000 
1 1 1  -33    9   26 o   14.440   0.4703   14.420   0.6347   14.460   0.6941 -0.4454000E-01 0.9405000 
1 1 1  -33    9   27 o   23.040   0.4262   22.720   0.6069   23.360   0.5985 -0.6373000 0.8524000 
1 1 1  -33    9   28 o   9.1530   0.7923   9.3590   1.0320   8.9480   1.2030 0.4110000 1.585000 
1 1 1  -33    9   29 o   10.650   0.7472   11.950   0.8802   9.3540   1.2080 2.596000 1.494000 
1 1 1  -33    9   30 o   15.860   0.5276   15.920   0.7223   15.800   0.7692 0.1208000 1.055000 
1 1 1  -33    9   31 o   13.180   0.7706   13.450   1.0760   12.910   1.1030 0.5434000 1.541000 
1 1 1  -33    9   32 o   3.6530   1.1370   4.5160   1.8110   2.7900   1.3740 1.727000 2.273000 
1 1 1  -33    9   33 o   3.4400   1.1090   3.3460   1.5390   3.5340   1.5960 -0.1885000 2.217000 
1 1 1  -33    9   34 o   4.7830   1.2620   5.6250   1.8400   3.9420   1.7290 1.683000 2.525000 
1 1 1  -33    9   35 o   3.2150   1.0790   3.1250   1.4930   3.3060   1.5570 -0.1812000 2.157000 
1 1 1  -33   11    1 o   47.500   0.3462   47.330   0.4828   47.670   0.4965 -0.3421000 0.6925000 
1 1 1  -33   11    2 o   30.160   0.2995   30.360   0.4178   29.950   0.4293 0.4145000 0.5990000 
1 1 1  -33   11    3 o   22.480   0.3238   21.660   0.4513   23.300   0.4644 -1.645000 0.6475000 
1 1 1  -33   11    4 o   57.410   0.3905   57.340   0.5485   57.480   0.5560 -0.1487000 0.7811000 
1 1 1  -33   11    5 o   47.050   0.3417   46.450   0.4732   47.650   0.4932 -1.205000 0.6835000 
1 1 1  -33   11    6 o   35.710   0.3093   35.280   0.4217   36.150   0.4527 -0.8689000 0.6187000 
1 1 1  -33   11    7 o   42.310   0.3570   42.890   0.5366   41.730   0.4711 1.154000 0.7141000 
1 1 1  -33   11    8 o   42.860   0.3298   42.640   0.4576   43.080   0.4749 -0.4350000 0.6595000 
1 1 1  -33   11    9 o   48.810   0.3546   49.270   0.4984   48.360   0.5045 0.9050000 0.7091000 
1 1 1  -33   11   10 o   62.790   0.4236   63.250   0.6006   62.340   0.5976 0.9084000 0.8472000 
1 1 1  -33   11   11 o   46.610   0.4127   46.980   0.5849   46.230   0.5823 0.7455000 0.8253000 
1 1 1  -33   11   12 o   43.820   0.6120   43.970   0.7162   43.680   0.9927 0.2841000 1.224000 
1 1 1  -33   11   13 o   44.390   0.5714   43.650   0.5532   45.140   1.0000 -1.482000 1.143000 
1 1 1  -33   11   14 o   5.5890   1.4420   5.9180   1.7710   5.2610   2.2750 0.6573000 2.883000 
1 1 1  -33   11   15 o   19.520   0.4832   19.210   0.5546   19.820   0.7915 -0.6119000 0.9665000 
1 1 1  -33   11   16 o   30.340   0.4144   29.960   0.5340   30.720   0.6338 -0.7592000 0.8287000 
1 1 1  -33   11   17 o   5.2390   1.1540   4.5310   1.6220   5.9480   1.6420 -1.418000 2.308000 
1 1 1  -33   11   18 o   22.560   0.3455   22.390   0.4813   22.720   0.4960 -0.3249000 0.6911000 
1 1 1  -33   11   19 o   4.0900   1.0430   5.2280   1.5830   2.9520   1.3580 2.276000 2.086000 
1 1 1  -33   11   20 o   21.260   0.4042   21.330   0.5407   21.190   0.6008 0.1390000 0.8083000 
1 1 1  -33   11   21 o   20.880   0.6082   21.280   0.5810   20.470   1.0690 0.8085000 1.216000 
1 1 1  -33   11   22 o   8.5920   1.2840   8.5360   1.0960   8.6480   2.3230 -0.1117000 2.568000 
1 1 1  -33   11   23 o   15.390   0.5748   14.620   0.6301   16.170   0.9616 -1.553000 1.150000 
1 1 1  -33   11   24 o   7.4520   1.1570   7.5630   1.2290   7.3420   1.9600 0.2206000 2.313000 
1 1 1  -33   11   25 o   21.330   0.4750   21.490   0.4885   21.170   0.8148 0.3192000 0.9500000 
1 1 1  -33   11   26 f   19.550   0.4700   19.540   0.6579   19.570   0.6714 -0.2952000E-01 0.9400000 
1 1 1  -33   11   27 f   7.0740   1.1850   7.5610   1.5450   6.5870   1.7960 0.9731000 2.369000 
1 1 1  -33   11   28 o   2.7300   0.9284   2.6320   1.2670   2.8290   1.3580 -0.1974000 1.857000 
1 1 1  -33   11   29 o   14.470   0.5705   14.900   0.7660   14.050   0.8456 0.8483000 1.141000 
1 1 1  -33   11   30 o   5.8020   1.3520   4.6680   1.9180   6.9350   1.9050 -2.267000 2.703000 
1 1 1  -33   11   31 o   4.0400   1.2090   4.2120   1.7290   3.8680   1.6890 0.3447000 2.417000 
1 1 1  -33   11   32 o   3.4280   1.1000   3.7670   1.6440   3.0890   1.4620 0.6786000 2.200000 
1 1 1  -33   11   33 o   3.0850   1.0300   2.8440   1.3720   3.3250   1.5360 -0.4813000 2.059000 
1 1 1  -33   11   34 o   4.5530   1.3150   4.5420   1.8600   4.5650   1.8600 -0.2282000E-01 2.631000 
1 1 1  -33   13    1 o   9.0220   0.9852   9.8610   1.1290   8.1830   1.6150 1.678000 1.970000 
1 1 1  -33   13    2 o   34.540   0.4078   33.120   0.5004   35.970   0.6440 -2.848000 0.8156000 
1 1 1  -33   13    3 o   55.240   0.4396   55.090   0.6194   55.400   0.6241 -0.3095000 0.8793000 
1 1 1  -33   13    4 o   31.390   0.4995   31.390   0.4995  ?   ?       ?      ? 
1 1 1  -33   13    5 o   37.080   0.5484   36.880   0.5059   37.280   0.9732 -0.4002000 1.097000 
1 1 1  -33   13    6 o   23.180   0.6318   22.890   0.5504   23.460   1.1370 -0.5667000 1.264000 
1 1 1  -33   13    7 o   45.780   0.5801   44.960   0.5455   46.590   1.0240 -1.638000 1.160000 
1 1 1  -33   13    8 o   56.600   0.6924   56.710   0.7857   56.500   1.1400 0.2110000 1.385000 
1 1 1  -33   13    9 o   43.710   1.0010  ?   ?    43.710   1.0010      ?      ? 
1 1 1  -33   13   10 o   24.290   0.6588   24.740   0.7048   23.840   1.1130 0.8925000 1.318000 
1 1 1  -33   13   11 o   15.280   0.5771   15.450   0.7276   15.110   0.8959 0.3390000 1.154000 
1 1 1  -33   13   12 o   21.080   0.4070   21.270   0.5529   20.880   0.5974 0.3854000 0.8140000 
1 1 1  -33   13   13 o   12.130   0.6425   11.990   0.8828   12.260   0.9338 -0.2743000 1.285000 
1 1 1  -33   13   14 o   39.310   0.3337   39.610   0.4707   39.010   0.4733 0.5989000 0.6675000 
1 1 1  -33   13   15 o   26.620   0.3402   26.440   0.4724   26.800   0.4896 -0.3616000 0.6803000 
1 1 1  -33   13   16 o   14.780   0.4936   15.070   0.6714   14.490   0.7239 0.5874000 0.9873000 
1 1 1  -33   13   17 o   14.590   0.4984   14.340   0.6974   14.830   0.7122 -0.4885000 0.9968000 
1 1 1  -33   13   18 o   31.090   0.3639   30.800   0.5035   31.380   0.5256 -0.5847000 0.7278000 
1 1 1  -33   13   19 o   11.880   0.6544   10.880   0.9443   12.890   0.9062 -2.012000 1.309000 
1 1 1  -33   13   20 o   24.730   0.3689   25.280   0.4961   24.190   0.5462 1.092000 0.7378000 
1 1 1  -33   13   21 o   5.1870   1.2000   5.2720   1.6380   5.1010   1.7540 0.1715000 2.400000 
1 1 1  -33   13   22 o   18.140   0.4098   18.090   0.5700   18.190   0.5891 -0.1002000 0.8197000 
1 1 1  -33   13   23 o   36.460   0.3583   35.880   0.4641   37.040   0.5461 -1.153000 0.7166000 
1 1 1  -33   13   24 o   15.300   0.4916   15.250   0.6667   15.340   0.7225 -0.8975000E-01 0.9831000 
1 1 1  -33   13   25 o   8.7910   1.1820   11.340   0.9016   6.2440   2.1860 5.094000 2.365000 
1 1 1  -33   13   26 o   21.590   0.7156   20.790   0.6896   22.400   1.2540 -1.612000 1.431000 
1 1 1  -33   13   27 o   5.4260   1.1120   7.2850   1.4290   3.5670   1.7030 3.717000 2.224000 
1 1 1  -33   13   28 o   10.710   0.9876   9.2450   1.2700   12.170   1.5120 -2.927000 1.975000 
1 1 1  -33   13   29 o   6.4760   1.4930   5.7770   1.9860   7.1750   2.2300 -1.398000 2.986000 
1 1 1  -33   13   30 o   4.0860   1.1910   4.7680   1.7910   3.4030   1.5710 1.364000 2.383000 
1 1 1  -33   13   31 o   7.1700   1.2320   6.3100   1.8220   8.0300   1.6590 -1.721000 2.464000 
1 1 1  -33   13   32 o   4.1990   1.2060   4.9620   1.8330   3.4350   1.5690 1.527000 2.413000 
1 1 1  -33   13   33 o   5.0940   1.2880   4.2670   1.7600   5.9210   1.8800 -1.655000 2.575000 
1 1 1  -33   13   34 o   2.7310   0.9809   2.7010   1.3630   2.7610   1.4110 -0.6004000E-01 1.962000 
1 1 1  -33   15    1 o   33.520   0.4289   32.920   0.4576   34.120   0.7255 -1.205000 0.8578000 
1 1 1  -33   15    2 o   45.330   0.4405   45.440   0.4896   45.210   0.7325 0.2305000 0.8811000 
1 1 1  -33   15    3 o   26.010   0.4633   25.420   0.4920   26.590   0.7853 -1.176000 0.9267000 
1 1 1  -33   15    4 o   33.290   0.3910   33.210   0.5357   33.370   0.5698 -0.1556000 0.7821000 
1 1 1  -33   15    5 o   47.080   0.4138   46.830   0.5744   47.330   0.5957 -0.5084000 0.8275000 
1 1 1  -33   15    6 o   24.450   0.3721   24.950   0.4908   23.950   0.5594 1.002000 0.7441000 
1 1 1  -33   15    7 o   23.060   0.3813   22.620   0.5209   23.510   0.5570 -0.8802000 0.7627000 
1 1 1  -33   15    8 o   37.910   0.3318   38.040   0.4588   37.780   0.4794 0.2553000 0.6636000 
1 1 1  -33   15    9 o   29.190   0.3712   28.800   0.5539   29.580   0.4944 -0.7823000 0.7425000 
1 1 1  -33   15   10 o   36.670   0.3287   36.870   0.4529   36.470   0.4766 0.3988000 0.6575000 
1 1 1  -33   15   11 o   16.880   0.4693   17.400   0.6098   16.360   0.7136 1.047000 0.9386000 
1 1 1  -33   15   12 o   15.900   0.4843   15.700   0.6539   16.100   0.7144 -0.4017000 0.9685000 
1 1 1  -33   15   13 o   18.400   0.4432   18.700   0.6007   18.090   0.6518 0.6172000 0.8864000 
1 1 1  -33   15   14 o   21.240   0.3896   20.920   0.5492   21.550   0.5527 -0.6260000 0.7792000 
1 1 1  -33   15   15 o   34.900   0.4095   35.990   0.6144   33.820   0.5416 2.170000 0.8190000 
1 1 1  -33   15   16 o   30.520   0.3719   30.420   0.5205   30.630   0.5314 -0.2033000 0.7438000 
1 1 1  -33   15   17 o   11.210   0.6412   10.460   0.9540   11.960   0.8571 -1.504000 1.282000 
1 1 1  -33   15   18 o   7.7570   0.9360   7.2030   1.3960   8.3120   1.2480 -1.108000 1.872000 
1 1 1  -33   15   19 o   12.310   0.6412   12.850   0.8104   11.770   0.9940 1.084000 1.282000 
1 1 1  -33   15   20 o   16.940   0.4820   16.810   0.6554   17.060   0.7070 -0.2503000 0.9640000 
1 1 1  -33   15   21 o   12.700   0.5746   12.670   0.7803   12.730   0.8436 -0.5803000E-01 1.149000 
1 1 1  -33   15   22 o   26.420   0.3505   26.570   0.4866   26.260   0.5045 0.3094000 0.7009000 
1 1 1  -33   15   23 o   13.220   0.5662   12.860   0.7769   13.580   0.8237 -0.7136000 1.132000 
1 1 1  -33   15   24 o   6.8780   1.1030   5.6590   1.6910   8.0960   1.4160 -2.438000 2.206000 
1 1 1  -33   15   25 o   18.720   0.5337   18.870   0.7563   18.580   0.7533 0.2956000 1.067000 
1 1 1  -33   15   26 o   6.8100   1.1850   5.8430   1.7480   7.7770   1.6000 -1.934000 2.370000 
1 1 1  -33   15   27 o   13.850   0.7599   14.500   1.0110   13.200   1.1350 1.303000 1.520000 
1 1 1  -33   15   28 o   13.410   0.7198   12.650   0.9672   14.170   1.0660 -1.515000 1.440000 
1 1 1  -33   15   29 o   7.0700   1.4530   6.2570   1.8670   7.8820   2.2270 -1.626000 2.906000 
1 1 1  -33   15   30 o   2.7560   0.9807   2.2160   1.1210   3.2960   1.6100 -1.080000 1.961000 
1 1 1  -33   15   31 o   4.0750   1.2700   4.1190   1.7360   4.0310   1.8540 0.8841000E-01 2.540000 
1 1 1  -33   15   32 o   3.0880   1.0670   2.8320   1.3950   3.3430   1.6160 -0.5110000 2.135000 
1 1 1  -33   15   33 o   2.4530   1.2340   2.4530   1.2340  ?   ?       ?      ? 
1 1 1  -33   17    1 o   19.290   0.4118   19.690   0.5615   18.900   0.6026 0.7884000 0.8237000 
1 1 1  -33   17    2 o   20.620   0.3933   21.290   0.5327   19.950   0.5787 1.335000 0.7865000 
1 1 1  -33   17    3 o   23.000   0.3662   23.080   0.5071   22.920   0.5286 0.1678000 0.7325000 
1 1 1  -33   17    4 o   17.400   0.4455   17.520   0.6153   17.280   0.6445 0.2434000 0.8911000 
1 1 1  -33   17    5 o   53.020   0.3805   52.810   0.5311   53.220   0.5451 -0.4177000 0.7610000 
1 1 1  -33   17    6 o   9.8770   0.8026   10.220   1.0170   9.5310   1.2420 0.6929000 1.605000 
1 1 1  -33   17    7 o   43.720   0.3450   43.880   0.4809   43.550   0.4949 0.3266000 0.6901000 
1 1 1  -33   17    8 o   11.420   0.6818   10.950   0.9551   11.890   0.9731 -0.9443000 1.364000 
1 1 1  -33   17    9 o   34.900   0.3286   34.620   0.4543   35.170   0.4748 -0.5427000 0.6571000 
1 1 1  -33   17   10 o   16.120   0.5453   15.360   0.7531   16.880   0.7889 -1.521000 1.091000 
1 1 1  -33   17   11 o   20.460   0.4515   20.020   0.6113   20.890   0.6646 -0.8771000 0.9030000 
1 1 1  -33   17   12 o   15.250   0.5815   15.500   0.7556   15.010   0.8842 0.4851000 1.163000 
1 1 1  -33   17   13 o   15.470   0.5018   15.700   0.6797   15.230   0.7383 0.4684000 1.004000 
1 1 1  -33   17   14 o   22.310   0.3846   22.390   0.5436   22.220   0.5442 0.1715000 0.7692000 
1 1 1  -33   17   15 o   21.860   0.3803   22.050   0.5320   21.660   0.5435 0.3958000 0.7605000 
1 1 1  -33   17   16 o   11.360   0.6599   12.400   0.8303   10.330   1.0260 2.074000 1.320000 
1 1 1  -33   17   17 o   7.1050   1.1030   7.7250   1.3520   6.4860   1.7440 1.238000 2.207000 
1 1 1  -33   17   18 o   18.120   0.4662   17.730   0.6393   18.510   0.6788 -0.7809000 0.9325000 
1 1 1  -33   17   19 o   14.860   0.5233   15.620   0.6841   14.110   0.7920 1.508000 1.047000 
1 1 1  -33   17   20 o   9.2330   0.8313   9.4270   1.1060   9.0390   1.2410 0.3883000 1.663000 
1 1 1  -33   17   21 o   21.050   0.4006   21.090   0.5459   21.010   0.5864 0.7950000E-01 0.8011000 
1 1 1  -33   17   22 o   24.540   0.3716   24.570   0.5183   24.510   0.5326 0.6414000E-01 0.7432000 
1 1 1  -33   17   23 o   6.9370   1.2430   5.6070   1.8840   8.2660   1.6210 -2.660000 2.486000 
1 1 1  -33   17   24 o   5.6900   1.3860   5.8860   1.9550   5.4940   1.9650 0.3917000 2.772000 
1 1 1  -33   17   25 o   12.370   0.8317   12.270   1.1610   12.460   1.1910 -0.1926000 1.663000 
1 1 1  -33   17   26 o   4.7100   1.3290   3.7200   1.7090   5.7000   2.0360 -1.979000 2.658000 
1 1 1  -33   17   27 f   8.6390   1.0760   9.8480   1.2850   7.4290   1.7260 2.418000 2.152000 
1 1 1  -33   17   28 o   9.2090   1.0120   9.7320   1.3480   8.6870   1.5110 1.046000 2.025000 
1 1 1  -33   17   29 o   8.2500   1.1260   7.3500   1.7130   9.1510   1.4620 -1.801000 2.252000 
1 1 1  -33   17   30 o   3.7430   1.1570   4.3410   1.7780   3.1450   1.4800 1.196000 2.314000 
1 1 1  -33   17   31 o   2.6610   0.9362   2.7370   1.3530   2.5850   1.2940 0.1515000 1.872000 
1 1 1  -33   19    1 o   18.370   0.4304   18.150   0.6046   18.580   0.6126 -0.4301000 0.8607000 
1 1 1  -33   19    2 o   8.0170   0.9561   8.6940   1.1890   7.3390   1.4980 1.355000 1.912000 
1 1 1  -33   19    3 o   15.900   0.4815   15.890   0.6707   15.910   0.6911 -0.2683000E-01 0.9630000 
1 1 1  -33   19    4 f   27.220   0.3349   27.250   0.4707   27.190   0.4767 0.5505000E-01 0.6699000 
1 1 1  -33   19    5 o   16.480   0.4778   16.580   0.6366   16.380   0.7127 0.1980000 0.9556000 
1 1 1  -33   19    6 o   27.080   0.3405   26.570   0.4697   27.580   0.4930 -1.001000 0.6810000 
1 1 1  -33   19    7 o   13.270   0.5686   13.560   0.7550   12.980   0.8505 0.5811000 1.137000 
1 1 1  -33   19    8 o   5.2530   1.2150   5.2130   1.6850   5.2920   1.7500 -0.7964000E-01 2.430000 
1 1 1  -33   19    9 o   17.830   0.4412   17.230   0.6217   18.430   0.6261 -1.204000 0.8823000 
1 1 1  -33   19   10 o   41.500   0.3396   41.640   0.4761   41.360   0.4843 0.2888000 0.6791000 
1 1 1  -33   19   11 o   20.980   0.3935   20.360   0.5510   21.610   0.5619 -1.254000 0.7870000 
1 1 1  -33   19   12 o   19.340   0.4161   20.020   0.5458   18.660   0.6281 1.358000 0.8321000 
1 1 1  -33   19   13 o   9.8950   0.7537   8.7180   1.1230   11.070   1.0050 -2.354000 1.507000 
1 1 1  -33   19   14 o   22.980   0.3702   22.890   0.4996   23.070   0.5464 -0.1777000 0.7404000 
1 1 1  -33   19   15 o   26.360   0.3944   25.950   0.5427   26.770   0.5723 -0.8241000 0.7887000 
1 1 1  -33   19   16 o   6.9640   1.1900   5.5500   1.7910   8.3770   1.5670 -2.827000 2.380000 
1 1 1  -33   19   17 o   6.4530   1.1800   5.8260   1.6980   7.0800   1.6380 -1.254000 2.360000 
1 1 1  -33   19   18 o   8.1660   0.9687   7.4960   1.4180   8.8370   1.3200 -1.341000 1.937000 
1 1 1  -33   19   19 f   8.0020   1.0090   6.9160   1.5460   9.0890   1.2980 -2.174000 2.018000 
1 1 1  -33   19   20 o   18.490   0.4616   18.450   0.6358   18.540   0.6694 -0.9031000E-01 0.9233000 
1 1 1  -33   19   21 o   5.5550   1.2600   5.8450   1.7340   5.2650   1.8300 0.5793000 2.521000 
1 1 1  -33   19   22 o   6.6510   1.3530   6.0320   1.9830   7.2700   1.8410 -1.237000 2.706000 
1 1 1  -33   19   23 o   6.0660   1.6100   6.9340   2.4110   5.1990   2.1350 1.735000 3.221000 
1 1 1  -33   19   24 o   3.9650   1.2000   3.5800   1.5900   4.3500   1.7980 -0.7699000 2.400000 
1 1 1  -33   19   25 o   5.0200   1.2550   3.8710   1.6700   6.1690   1.8730 -2.298000 2.509000 
1 1 1  -33   19   26 o   3.1320   1.0430   3.5070   1.5870   2.7570   1.3550 0.7498000 2.086000 
1 1 1  -33   19   27 o   4.2210   1.1920   5.3850   1.8860   3.0560   1.4580 2.330000 2.384000 
1 1 1  -33   19   28 o   4.0090   1.2190   3.8510   1.6870   4.1680   1.7590 -0.3174000 2.437000 
1 1 1  -33   19   29 o   2.4750   0.8810   2.6360   1.3140   2.3140   1.1740 0.3221000 1.762000 
1 1 1  -33   19   30 o   2.4090   0.8499   2.1880   1.1050   2.6290   1.2910 -0.4403000 1.700000 
1 1 1  -33   21    1 f   16.110   0.5500   17.280   0.6359   14.940   0.8976 2.343000 1.100000 
1 1 1  -33   21    2 f   26.700   0.3439   26.250   0.4880   27.150   0.4847 -0.8961000 0.6878000 
1 1 1  -33   21    3 o   11.640   0.6399   11.160   0.9304   12.120   0.8788 -0.9645000 1.280000 
1 1 1  -33   21    4 o   3.5960   1.0620   2.7430   1.3090   4.4490   1.6730 -1.706000 2.124000 
1 1 1  -33   21    5 o   11.700   0.6490   11.530   0.8891   11.870   0.9458 -0.3467000 1.298000 
1 1 1  -33   21    6 o   14.040   0.5425   14.170   0.7239   13.900   0.8081 0.2688000 1.085000 
1 1 1  -33   21    7 o   20.990   0.3954   21.240   0.5296   20.740   0.5872 0.4936000 0.7907000 
1 1 1  -33   21    8 o   16.280   0.4848   15.890   0.6744   16.670   0.6965 -0.7745000 0.9696000 
1 1 1  -33   21    9 o   5.8700   1.2030   5.2330   1.7000   6.5060   1.7010 -1.272000 2.405000 
1 1 1  -33   21   10 o   16.380   0.4914   16.060   0.6755   16.690   0.7138 -0.6243000 0.9828000 
1 1 1  -33   21   11 o   5.4280   1.2970   6.0250   1.8000   4.8320   1.8680 1.192000 2.595000 
1 1 1  -33   21   12 o   11.170   0.8529   12.640   0.9793   9.7000   1.3970 2.938000 1.706000 
1 1 1  -33   21   13 o   17.870   0.5304   18.090   0.7154   17.660   0.7832 0.4287000 1.061000 
1 1 1  -33   21   14 o   5.9040   1.1580   7.1320   1.4810   4.6750   1.7810 2.456000 2.316000 
1 1 1  -33   21   15 o   27.720   0.3623   27.980   0.4876   27.450   0.5359 0.5287000 0.7246000 
1 1 1  -33   21   16 o   13.010   0.6398   13.850   0.7948   12.170   1.0030 1.680000 1.280000 
1 1 1  -33   21   17 f   5.7500   1.1840   6.8140   1.5540   4.6860   1.7860 2.128000 2.367000 
1 1 1  -33   21   18 o   4.5620   1.2470   4.3850   1.7310   4.7390   1.7960 -0.3537000 2.494000 
1 1 1  -33   21   19 o   6.4190   1.2230   7.4420   1.5970   5.3970   1.8510 2.045000 2.445000 
1 1 1  -33   21   20 o   13.320   1.1410   11.310   1.9130   15.320   1.2450 -4.010000 2.283000 
1 1 1  -33   21   21 f   16.700   0.8617   16.420   1.2860   16.990   1.1470 -0.5746000 1.723000 
1 1 1  -33   21   22 o   4.1550   1.1830   2.9870   1.4190   5.3220   1.8920 -2.335000 2.365000 
1 1 1  -33   21   23 o   8.6310   1.0740   9.4800   1.3280   7.7820   1.6880 1.698000 2.148000 
1 1 1  -33   21   24 o   4.4720   1.2660   4.9260   1.8410   4.0170   1.7400 0.9098000 2.533000 
1 1 1  -33   21   25 o   4.9160   1.3130   5.4070   1.8850   4.4250   1.8290 0.9821000 2.626000 
1 1 1  -33   21   26 o   4.2070   1.2440   4.1100   1.7320   4.3030   1.7870 -0.1934000 2.489000 
1 1 1  -33   21   27 o   3.7990   1.1900   4.5050   1.8530   3.0930   1.4920 1.413000 2.379000 
1 1 1  -33   21   28 o   2.5260   0.8829   2.3940   1.1940   2.6570   1.3010 -0.2629000 1.766000 
1 1 1  -33   23    1 o   4.1710   1.1840   4.1510   1.6480   4.1910   1.7020 -0.3972000E-01 2.369000 
1 1 1  -33   23    2 o   10.560   0.8671   10.080   1.2900   11.050   1.1590 -0.9775000 1.734000 
1 1 1  -33   23    3 o   14.290   0.7115   13.680   1.1260   14.900   0.8706 -1.219000 1.423000 
1 1 1  -33   23    4 o   6.2180   1.2920   5.3290   1.9040   7.1070   1.7460 -1.778000 2.583000 
1 1 1  -33   23    5 o   5.1330   1.3210   5.7760   1.8880   4.4890   1.8470 1.288000 2.641000 
1 1 1  -33   23    6 o   10.030   0.9438   9.7050   1.3150   10.350   1.3540 -0.6498000 1.888000 
1 1 1  -33   23    7 o   7.5920   1.2300   6.4340   1.8460   8.7500   1.6270 -2.316000 2.460000 
1 1 1  -33   23    8 o   3.7460   1.1280   4.8670   1.8540   2.6260   1.2870 2.241000 2.257000 
1 1 1  -33   23    9 f   15.070   0.5550   15.380   0.7235   14.770   0.8417 0.6052000 1.110000 
1 1 1  -33   23   10 o   29.740   0.3586   29.990   0.4871   29.500   0.5265 0.4936000 0.7172000 
1 1 1  -33   23   11 o   10.560   0.7776   10.490   1.0610   10.630   1.1370 -0.1333000 1.555000 
1 1 1  -33   23   12 o   10.310   0.7942   10.380   1.0710   10.250   1.1730 0.1329000 1.588000 
1 1 1  -33   23   13 o   6.7950   1.1530   7.8830   1.4030   5.7070   1.8310 2.175000 2.306000 
1 1 1  -33   23   14 o   7.5040   1.1080   7.2690   1.5210   7.7400   1.6120 -0.4713000 2.216000 
1 1 1  -33   23   15 o   13.250   0.6366   12.880   0.8741   13.610   0.9258 -0.7302000 1.273000 
1 1 1  -33   23   16 o   4.6610   1.3280   3.9950   1.7590   5.3270   1.9890 -1.332000 2.656000 
1 1 1  -33   23   17 o   3.6080   1.2220   3.7270   1.7710   3.4890   1.6850 0.2378000 2.444000 
1 1 1  -33   23   18 o   6.3550   1.3450   8.4970   1.9520   4.2130   1.8510 4.284000 2.690000 
1 1 1  -33   23   19 f   6.9720   1.3410   6.7150   1.9130   7.2280   1.8810 -0.5129000 2.683000 
1 1 1  -33   23   20 o   4.5700   1.2600   5.3610   1.8600   3.7780   1.7010 1.583000 2.520000 
1 1 1  -33   23   21 o   11.860   0.7999   10.870   1.1830   12.860   1.0770 -1.987000 1.600000 
1 1 1  -33   23   22 o   5.4460   1.3450   5.0960   1.8540   5.7950   1.9480 -0.6989000 2.689000 
1 1 1  -33   23   23 o   4.3010   1.2790   4.3430   1.8380   4.2590   1.7790 0.8399000E-01 2.558000 
1 1 1  -33   23   24 o   3.0250   1.0350   3.0230   1.4650   3.0270   1.4640 -0.3987000E-02 2.071000 
1 1 1  -33   23   25 o   2.4650   0.8751   2.2250   1.1300   2.7040   1.3370 -0.4793000 1.750000 
1 1 1  -33   23   26 o   3.0580   1.0250   2.8990   1.3930   3.2160   1.5030 -0.3168000 2.049000 
1 1 1  -33   25    1 o   5.4820   1.2020   6.7810   1.6850   4.1820   1.7140 2.599000 2.403000 
1 1 1  -33   25    2 o   6.3940   1.1840   7.8070   1.5210   4.9820   1.8140 2.825000 2.368000 
1 1 1  -33   25    3 o   20.130   0.4406   19.920   0.6252   20.340   0.6210 -0.4217000 0.8812000 
1 1 1  -33   25    4 o   10.760   0.7706   9.9530   1.1550   11.560   1.0200 -1.606000 1.541000 
1 1 1  -33   25    5 o   10.040   0.8929   11.670   0.9620   8.3980   1.5050 3.277000 1.786000 
1 1 1  -33   25    6 o   8.9250   0.9464   9.5530   1.1470   8.2970   1.5060 1.255000 1.893000 
1 1 1  -33   25    7 o   5.8800   1.2230   4.7030   1.7320   7.0560   1.7270 -2.352000 2.446000 
1 1 1  -33   25    8 o   10.210   0.8249   10.060   1.1360   10.360   1.1960 -0.2969000 1.650000 
1 1 1  -33   25    9 f   6.6320   1.3280   7.3780   1.7920   5.8860   1.9610 1.492000 2.656000 
1 1 1  -33   25   10 f   12.930   0.7913   11.650   1.2170   14.220   1.0120 -2.570000 1.583000 
1 1 1  -33   25   11 o   8.5130   1.1350   5.0730   1.9370   11.950   1.1840 -6.880000 2.270000 
1 1 1  -33   25   12 o   14.820   0.7027   15.320   0.9650   14.310   1.0220 1.015000 1.405000 
1 1 1  -33   25   13 o   9.6620   1.1400   9.5370   1.3100   9.7860   1.8660 -0.2487000 2.280000 
1 1 1  -33   25   14 o   4.8760   1.2680   6.2070   1.9220   3.5460   1.6550 2.661000 2.536000 
1 1 1  -33   25   15 o   15.720   0.6780   15.560   0.9217   15.880   0.9944 -0.3260000 1.356000 
1 1 1  -33   25   16 o   12.460   0.7269   12.550   0.9711   12.380   1.0820 0.1739000 1.454000 
1 1 1  -33   25   17 o   4.9760   1.2750   5.8190   1.8460   4.1330   1.7580 1.686000 2.549000 
1 1 1  -33   25   18 o   3.2580   1.0790   3.3360   1.5440   3.1810   1.5080 0.1545000 2.158000 
1 1 1  -33   25   19 f   5.0110   1.2600   3.7820   1.6660   6.2410   1.8920 -2.460000 2.521000 
1 1 1  -33   25   20 o   5.1670   1.2520   3.8870   1.6940   6.4460   1.8440 -2.559000 2.504000 
1 1 1  -33   25   21 o   6.0270   1.4180   6.1610   1.9990   5.8930   2.0110 0.2682000 2.836000 
1 1 1  -33   25   22 o   2.5040   0.8903   2.2310   1.1330   2.7770   1.3730 -0.5467000 1.781000 
1 1 1  -33   25   23 o   2.9060   0.9845   3.2350   1.5000   2.5780   1.2750 0.6568000 1.969000 
1 1 1  -33   25   24 f   2.1080   0.7654   1.8670   0.9618   2.3500   1.1910 -0.4827000 1.531000 
1 1 1  -33   27    1 o   6.5420   1.4070   6.9140   1.9060   6.1690   2.0690 0.7453000 2.813000 
1 1 1  -33   27    2 o   5.3900   1.3370   3.9110   1.7390   6.8690   2.0300 -2.959000 2.673000 
1 1 1  -33   27    3 o   8.6240   1.2190   9.5740   1.4800   7.6740   1.9370 1.901000 2.438000 
1 1 1  -33   27    4 o   12.930   0.7967   12.940   1.0790   12.910   1.1720 0.2317000E-01 1.593000 
1 1 1  -33   27    5 o   5.3150   1.2990   6.7150   1.9120   3.9150   1.7570 2.800000 2.597000 
1 1 1  -33   27    6 o   9.5280   1.1010   10.690   1.2910   8.3670   1.7840 2.322000 2.202000 
1 1 1  -33   27    7 o   12.690   0.8153   13.380   1.0500   11.990   1.2480 1.394000 1.631000 
1 1 1  -33   27    8 o   3.2720   1.1000   3.3750   1.5820   3.1690   1.5270 0.2065000 2.199000 
1 1 1  -33   27    9 o   4.9200   1.3230   5.9160   1.9600   3.9240   1.7760 1.992000 2.645000 
1 1 1  -33   27   10 o   10.980   1.1840   13.990   1.0330   7.9710   2.1320 6.021000 2.369000 
1 1 1  -33   27   11 o   11.500   0.8238   12.920   0.9805   10.080   1.3240 2.846000 1.648000 
1 1 1  -33   27   12 o   8.9530   1.0190   9.0350   1.3720   8.8700   1.5060 0.1643000 2.037000 
1 1 1  -33   27   13 o   3.5950   1.1500   3.5350   1.5970   3.6540   1.6560 -0.1183000 2.301000 
1 1 1  -33   27   14 o   6.7240   1.2870   7.0970   1.7150   6.3510   1.9190 0.7461000 2.574000 
1 1 1  -33   27   15 o   6.0710   1.2980   6.8520   1.7510   5.2910   1.9160 1.561000 2.596000 
1 1 1  -33   27   16 o   3.1290   1.0390   3.5750   1.6020   2.6830   1.3230 0.8920000 2.078000 
1 1 1  -33   27   17 o   5.2280   1.3590   5.8710   1.9470   4.5850   1.8960 1.286000 2.718000 
1 1 1  -33   27   18 o   2.9590   1.0160   2.5110   1.2570   3.4070   1.5960 -0.8965000 2.032000 
1 1 1  -33   27   19 o   3.0590   1.0250   3.4880   1.5860   2.6310   1.2980 0.8572000 2.050000 
1 1 1  -33   27   20 o   2.8780   0.9773   3.3610   1.5450   2.3950   1.1980 0.9659000 1.955000 
1 1 1  -33   27   21 f   2.0410   0.7348   2.0820   1.0570   2.0010   1.0210 0.8052000E-01 1.470000 
1 1 1  -33   29    1 o   3.9050   1.2070   3.4930   1.5930   4.3180   1.8150 -0.8253000 2.415000 
1 1 1  -33   29    2 o   4.6190   1.1680   6.2350   1.8330   3.0030   1.4480 3.232000 2.336000 
1 1 1  -33   29    3 o   3.6610   1.1590   3.2420   1.5150   4.0800   1.7550 -0.8384000 2.319000 
1 1 1  -33   29    4 o   4.7910   1.2980   4.6080   1.8020   4.9740   1.8690 -0.3664000 2.596000 
1 1 1  -33   29    5 o   3.4530   1.1120   3.8380   1.6700   3.0690   1.4690 0.7691000 2.224000 
1 1 1  -33   29    6 o   8.4760   1.1080   6.1590   1.8350   10.790   1.2440 -4.635000 2.217000 
1 1 1  -33   29    7 o   6.6460   1.2400   5.1790   1.8550   8.1130   1.6450 -2.934000 2.480000 
1 1 1  -33   29    8 o   3.8410   1.1860   3.3370   1.5400   4.3450   1.8040 -1.008000 2.372000 
1 1 1  -33   29    9 o   3.4520   1.1360   2.9430   1.4310   3.9610   1.7650 -1.018000 2.272000 
1 1 1  -33   29   10 o   6.5190   1.2620   8.4620   1.6730   4.5760   1.8900 3.886000 2.524000 
1 1 1  -33   29   11 o   4.3830   1.2850   5.0020   1.9220   3.7650   1.7050 1.237000 2.569000 
1 1 1  -33   29   12 o   2.8260   0.9813   2.8830   1.4080   2.7700   1.3670 0.1134000 1.963000 
1 1 1  -33   29   13 o   4.0510   1.2130   2.9920   1.4510   5.1110   1.9450 -2.120000 2.427000 
1 1 1  -33   29   14 f   3.1790   1.0530   3.2650   1.5150   3.0930   1.4620 0.1714000 2.105000 
1 1 1  -33   29   15 o   3.3300   1.0720   2.7000   1.3170   3.9600   1.6910 -1.261000 2.143000 
1 1 1  -33   29   16 o   2.6090   0.9060   2.4550   1.2170   2.7620   1.3430 -0.3073000 1.812000 
1 1 1  -33   29   17 o   2.8950   0.9781   2.9360   1.3950   2.8530   1.3720 0.8308000E-01 1.956000 
1 1 1  -33   31    1 o   3.2560   1.0870   3.0730   1.4580   3.4400   1.6140 -0.3672000 2.175000 
1 1 1  -33   31    2 o   2.7000   0.9353   2.6420   1.2990   2.7590   1.3460 -0.1171000 1.871000 
1 1 1  -33   31    3 o   2.8990   0.9877   2.5800   1.2750   3.2170   1.5090 -0.6372000 1.975000 
1 1 1  -33   31    4 o   2.9200   0.9971   3.1240   1.4710   2.7160   1.3470 0.4079000 1.994000 
1 1 1  -33   31    5 o   2.7290   0.9422   2.7570   1.3430   2.7010   1.3220 0.5544000E-01 1.884000 
1 1 1  -33   31    6 o   2.8020   0.9567   2.3550   1.1780   3.2490   1.5080 -0.8936000 1.913000 
1 1 1  -33   31    7 o   2.5860   0.9015   2.8190   1.3640   2.3520   1.1790 0.4665000 1.803000 
1 1 1  -33   31    8 o   3.7000   1.1480   3.9580   1.6830   3.4420   1.5630 0.5161000 2.296000 
1 1 1  -33   31    9 o   2.2730   0.8085   2.1770   1.1000   2.3680   1.1850 -0.1914000 1.617000 
1 1 1  -33   31   10 o   2.6970   0.9274   2.0970   1.0640   3.2970   1.5200 -1.200000 1.855000 
1 1 1  -33   31   11 o   2.2820   0.8090   2.2530   1.1310   2.3110   1.1570 -0.5807000E-01 1.618000 
1 1 1  -32    0    1 o   89.240   1.1310   89.240   1.1310   89.240   1.1310 0.000000 0.000000 
1 1 1  -32    0    2 o   58.230   0.7517   58.230   0.7517   58.230   0.7517 0.000000 0.000000 
1 1 1  -32    0    3 o   43.790   0.5855   43.790   0.5855   43.790   0.5855 0.000000 0.000000 
1 1 1  -32    0    4 o   15.740   0.6961   15.740   0.6961   15.740   0.6961 -0.000000 0.000000 
1 1 1  -32    0    5 o   53.330   0.6916   53.330   0.6916   53.330   0.6916 -0.000000 0.000000 
1 1 1  -32    0    6 o   12.850   0.6049   12.850   0.6049   12.850   0.6049 -0.000000 0.000000 
1 1 1  -32    0    7 o   17.830   0.3761   17.830   0.3761   17.830   0.3761 -0.000000 0.000000 
1 1 1  -32    0    8 o   27.970   0.3153   27.970   0.3153   27.970   0.3153 0.000000 0.000000 
1 1 1  -32    0    9 o  113.400   1.0120  113.400   1.0120  113.400   1.0120 -0.000000 0.000000 
1 1 1  -32    0   10 o   42.130   0.4077   42.130   0.4077   42.130   0.4077 0.000000 0.000000 
1 1 1  -32    0   11 o   58.370   0.5374   58.370   0.5374   58.370   0.5374 0.000000 0.000000 
1 1 1  -32    0   12 o  135.800   1.7160  135.800   1.7160  135.800   1.7160 0.000000 0.000000 
1 1 1  -32    0   13 o   5.0050   1.9460   5.0050   1.9460   5.0050   1.9460 -0.000000 0.000000 
1 1 1  -32    0   14 o   28.200   0.4443   28.200   0.4443   28.200   0.4443 -0.000000 0.000000 
1 1 1  -32    0   15 o   38.760   0.4115   38.760   0.4115   38.760   0.4115 -0.000000 0.000000 
1 1 1  -32    0   16 o   25.840   0.4078   25.840   0.4078   25.840   0.4078 -0.000000 0.000000 
1 1 1  -32    0   17 o   26.550   0.4169   26.550   0.4169   26.550   0.4169 0.000000 0.000000 
1 1 1  -32    0   18 o   97.950   0.8841   97.950   0.8841   97.950   0.8841 0.000000 0.000000 
1 1 1  -32    0   19 o   17.830   0.5316   17.830   0.5316   17.830   0.5316 -0.000000 0.000000 
1 1 1  -32    0   20 o   54.410   0.5278   54.410   0.5278   54.410   0.5278 0.000000 0.000000 
1 1 1  -32    0   21 f   44.370   0.5390   44.370   0.5390   44.370   0.5390 -0.000000 0.000000 
1 1 1  -32    0   22 o   8.0340   1.5290   8.0340   1.5290   8.0340   1.5290 -0.000000 0.000000 
1 1 1  -32    0   23 o   12.390   0.6860   12.390   0.6860   12.390   0.6860 -0.000000 0.000000 
1 1 1  -32    0   24 o   11.200   0.7653   11.200   0.7653   11.200   0.7653 0.000000 0.000000 
1 1 1  -32    0   25 o   18.930   0.4896   18.930   0.4896   18.930   0.4896 -0.000000 0.000000 
1 1 1  -32    0   26 o   3.3240   2.0170   3.3240   2.0170   3.3240   2.0170 -0.000000 0.000000 
1 1 1  -32    0   27 o   3.2360   1.9970   3.2360   1.9970   3.2360   1.9970 -0.000000 0.000000 
1 1 1  -32    0   28 o   6.5910   1.5490   6.5910   1.5490   6.5910   1.5490 -0.000000 0.000000 
1 1 1  -32    0   29 o   18.160   0.5546   18.160   0.5546   18.160   0.5546 0.000000 0.000000 
1 1 1  -32    0   30 o   1.4280   1.0500   1.4280   1.0500   1.4280   1.0500 -0.000000 0.000000 
1 1 1  -32    0   31 o   24.410   0.5063   24.410   0.5063   24.410   0.5063 0.000000 0.000000 
1 1 1  -32    0   32 o   3.2470   1.9110   3.2470   1.9110   3.2470   1.9110 -0.000000 0.000000 
1 1 1  -32    0   33 o   1.8150   1.3020   1.8150   1.3020   1.8150   1.3020 -0.000000 0.000000 
1 1 1  -32    0   34 o   3.5930   2.2020   3.5930   2.2020   3.5930   2.2020 -0.000000 0.000000 
1 1 1  -32    0   35 o   2.4110   1.6470   2.4110   1.6470   2.4110   1.6470 0.000000 0.000000 
1 1 1  -32    0   36 o   1.8770   1.3490   1.8770   1.3490   1.8770   1.3490 0.000000 0.000000 
1 1 1  -32    0   37 o   3.5140   2.1440   3.5140   2.1440   3.5140   2.1440 0.000000 0.000000 
1 1 1  -32    2    1 o   21.660   0.2600   21.980   0.3515   21.330   0.3832 0.6543000 0.5200000 
1 1 1  -32    2    2 o   70.670   0.5489   70.940   0.6388   70.410   0.8928 0.5323000 1.098000 
1 1 1  -32    2    3 o   40.920   0.3304   40.790   0.3892   41.050   0.5339 -0.2571000 0.6607000 
1 1 1  -32    2    4 o   82.960   0.6458   82.420   0.7391   83.490   1.0590 -1.073000 1.292000 
1 1 1  -32    2    5 o   38.160   0.3607   36.700   0.5032   39.620   0.5170 -2.924000 0.7214000 
1 1 1  -32    2    6 o   85.020   0.7621   85.020   0.7621  ?   ?       ?      ? 
1 1 1  -32    2    7 f   47.010   0.4043   46.990   0.6321   47.020   0.5043 -0.2538000E-01 0.8086000 
1 1 1  -32    2    8 o   23.700   0.2627   23.730   0.3694   23.660   0.3735 0.7100000E-01 0.5253000 
1 1 1  -32    2    9 o   62.150   0.4005   62.260   0.5674   62.040   0.5654 0.2173000 0.8010000 
1 1 1  -32    2   10 o   52.700   0.3471   53.040   0.4940   52.350   0.4879 0.6870000 0.6943000 
1 1 1  -32    2   11 o   94.670   0.6932   94.700   0.9806   94.640   0.9799 0.6133000E-01 1.386000 
1 1 1  -32    2   12 o   63.390   0.4737   63.500   0.6706   63.270   0.6692 0.2248000 0.9473000 
1 1 1  -32    2   13 o   21.900   0.3275   21.650   0.4759   22.150   0.4500 -0.5026000 0.6549000 
1 1 1  -32    2   14 o   95.060   0.6999   95.110   0.9908   95.020   0.9887 0.9464000E-01 1.400000 
1 1 1  -32    2   15 o   67.970   0.4429   68.020   0.6267   67.930   0.6259 0.8681000E-01 0.8857000 
1 1 1  -32    2   16 o   27.820   0.2881   27.930   0.4081   27.700   0.4068 0.2246000 0.5762000 
1 1 1  -32    2   17 o   64.210   0.4240   64.240   0.5997   64.170   0.5995 0.6745000E-01 0.8480000 
1 1 1  -32    2   18 o   4.3420   1.0500   5.3510   1.5370   3.3320   1.4310 2.019000 2.100000 
1 1 1  -32    2   19 o   40.610   0.3120   40.410   0.4406   40.810   0.4418 -0.4005000 0.6240000 
1 1 1  -32    2   20 o   30.820   0.2968   30.330   0.4208   31.310   0.4188 -0.9743000 0.5937000 
1 1 1  -32    2   21 o   10.020   0.7101   10.850   0.9325   9.2010   1.0710 1.645000 1.420000 
1 1 1  -32    2   22 o   39.270   0.3532   39.120   0.4928   39.420   0.5062 -0.3079000 0.7064000 
1 1 1  -32    2   23 o   25.890   0.3001   26.190   0.4210   25.590   0.4279 0.6015000 0.6003000 
1 1 1  -32    2   24 o   18.530   0.3540   18.460   0.4989   18.590   0.5023 -0.1355000 0.7080000 
1 1 1  -32    2   25 o   9.0660   0.6586   9.3650   0.8932   8.7670   0.9682 0.5982000 1.317000 
1 1 1  -32    2   26 o   14.500   0.5153   14.540   0.6892   14.460   0.7662 0.8381000E-01 1.031000 
1 1 1  -32    2   27 o   16.820   0.4732   17.400   0.6592   16.230   0.6790 1.167000 0.9464000 
1 1 1  -32    2   28 o   12.030   0.5448   11.420   0.7860   12.630   0.7545 -1.207000 1.090000 
1 1 1  -32    2   29 o   12.790   0.5283   12.580   0.7493   13.000   0.7449 -0.4163000 1.057000 
1 1 1  -32    2   30 o   11.080   0.6418   11.980   0.8180   10.170   0.9892 1.810000 1.284000 
1 1 1  -32    2   31 o   6.6390   1.1050   5.4150   1.7310   7.8640   1.3760 -2.450000 2.211000 
1 1 1  -32    2   32 o   16.610   0.5012   16.990   0.6842   16.220   0.7326 0.7705000 1.002000 
1 1 1  -32    2   33 o   9.9360   0.8328   9.6860   1.1970   10.190   1.1590 -0.5004000 1.666000 
1 1 1  -32    2   34 o   3.8460   1.2690   3.8520   1.7280   3.8400   1.8590 0.1209000E-01 2.538000 
1 1 1  -32    2   35 o   4.7660   1.3940   4.6220   1.8560   4.9100   2.0790 -0.2876000 2.787000 
1 1 1  -32    2   36 o   3.4120   1.1050   4.0470   1.7170   2.7760   1.3920 1.271000 2.210000 
1 1 1  -32    2   37 o   2.7630   0.9853   2.8450   1.4140   2.6810   1.3720 0.1640000 1.971000 
1 1 1  -32    4    1 o   47.100   0.3140   47.320   0.4453   46.890   0.4428 0.4256000 0.6280000 
1 1 1  -32    4    2 o   28.770   0.5348  ?   ?    28.770   0.5348      ?      ? 
1 1 1  -32    4    3 o   41.830   0.4213   42.360   0.6011   41.300   0.5904 1.058000 0.8426000 
1 1 1  -32    4    4 o   49.410   0.4727   49.340   0.6675   49.490   0.6696 -0.1448000 0.9455000 
1 1 1  -32    4    5 o   61.310   0.5669   62.360   0.8131   60.250   0.7900 2.113000 1.134000 
1 1 1  -32    4    6 o   99.730   1.0900  103.200   1.3120   96.290   1.7410 6.885000 2.180000 
1 1 1  -32    4    7 o   49.930   0.4168   50.050   0.5339   49.810   0.6402 0.2373000 0.8336000 
1 1 1  -32    4    8 o   57.740   0.6049   57.760   0.6108   57.710   1.0440 0.4516000E-01 1.210000 
1 1 1  -32    4    9 o   86.020   0.9477   85.740   1.0900   86.310   1.5510 -0.5668000 1.895000 
1 1 1  -32    4   10 o   28.500   0.4283   28.500   0.4283  ?   ?       ?      ? 
1 1 1  -32    4   11 o   19.490   0.3861   19.490   0.3861  ?   ?       ?      ? 
1 1 1  -32    4   12 o   62.480   0.4988   62.200   0.5755   62.760   0.8149 -0.5576000 0.9976000 
1 1 1  -32    4   13 o   63.180   0.4146   62.910   0.5833   63.460   0.5892 -0.5471000 0.8291000 
1 1 1  -32    4   14 o   16.790   0.4381   16.110   0.6439   17.470   0.5943 -1.357000 0.8762000 
1 1 1  -32    4   15 o   43.610   0.3186   43.600   0.4501   43.620   0.4511 -0.2150000E-01 0.6372000 
1 1 1  -32    4   16 o   35.600   0.2951   35.230   0.4161   35.970   0.4185 -0.7324000 0.5901000 
1 1 1  -32    4   17 o   43.120   0.3208   43.320   0.4551   42.920   0.4522 0.3967000 0.6416000 
1 1 1  -32    4   18 o   5.9240   1.0250   6.9170   1.2970   4.9310   1.5880 1.986000 2.050000 
1 1 1  -32    4   19 o   34.510   0.2995   34.460   0.4240   34.550   0.4232 -0.9467000E-01 0.5991000 
1 1 1  -32    4   20 o   32.330   0.3454   32.640   0.4940   32.010   0.4827 0.6288000 0.6907000 
1 1 1  -32    4   21 o   13.820   0.4564   13.720   0.6407   13.910   0.6501 -0.1941000 0.9127000 
1 1 1  -32    4   22 o   16.220   0.4349   15.950   0.5968   16.490   0.6327 -0.5479000 0.8698000 
1 1 1  -32    4   23 o   32.750   0.3105   32.410   0.4573   33.090   0.4202 -0.6792000 0.6210000 
1 1 1  -32    4   24 o   22.070   0.3202   22.610   0.4437   21.530   0.4617 1.080000 0.6404000 
1 1 1  -32    4   25 o   22.800   0.3651   22.880   0.4947   22.720   0.5370 0.1604000 0.7301000 
1 1 1  -32    4   26 o   19.040   0.3619   18.850   0.4998   19.230   0.5234 -0.3850000 0.7237000 
1 1 1  -32    4   27 f   12.900   0.5871   13.060   0.8249   12.730   0.8357 0.3353000 1.174000 
1 1 1  -32    4   28 o   21.840   0.3422   22.060   0.4690   21.630   0.4984 0.4386000 0.6844000 
1 1 1  -32    4   29 o   4.9710   1.1430   5.2050   1.5840   4.7360   1.6480 0.4690000 2.286000 
1 1 1  -32    4   30 o   8.3690   0.8996   9.1050   1.0890   7.6340   1.4330 1.471000 1.799000 
1 1 1  -32    4   31 o   16.670   0.6022   16.760   0.6572   16.580   1.0090 0.1818000 1.204000 
1 1 1  -32    4   32 o   4.1320   1.2220   4.5760   1.7390   3.6870   1.7180 0.8889000 2.444000 
1 1 1  -32    4   33 o   13.730   0.9259   13.140   1.0390   14.320   1.5330 -1.171000 1.852000 
1 1 1  -32    4   34 f   9.3620   1.1390   9.1690   1.3570   9.5560   1.8310 -0.3862000 2.279000 
1 1 1  -32    4   35 o   7.1840   1.2810   8.5880   1.6160   5.7790   1.9880 2.809000 2.562000 
1 1 1  -32    4   36 o   3.3220   1.0840   3.6170   1.6230   3.0260   1.4380 0.5909000 2.168000 
1 1 1  -32    6    1 o   93.880   0.5958   93.470   0.8390   94.290   0.8462 -0.8207000 1.192000 
1 1 1  -32    6    2 o   34.170   0.3053   33.560   0.4245   34.780   0.4389 -1.227000 0.6106000 
1 1 1  -32    6    3 o   50.880   0.4926   51.220   0.7016   50.540   0.6917 0.6753000 0.9853000 
1 1 1  -32    6    4 o   55.040   0.5218   55.250   0.7406   54.830   0.7352 0.4217000 1.044000 
1 1 1  -32    6    5 o   12.340   0.6546   12.110   0.9470   12.560   0.9041 -0.4513000 1.309000 
1 1 1  -32    6    6 o   86.660   0.5969   86.800   0.9045   86.530   0.7792 0.2652000 1.194000 
1 1 1  -32    6    7 o   73.980   0.4735   73.910   0.6691   74.050   0.6702 -0.1476000 0.9471000 
1 1 1  -32    6    8 o   45.470   0.3624   45.630   0.5159   45.300   0.5090 0.3343000 0.7247000 
1 1 1  -32    6    9 o   27.470   0.2917   27.790   0.4098   27.160   0.4153 0.6335000 0.5834000 
1 1 1  -32    6   10 o   65.860   0.4283   66.160   0.6088   65.560   0.6027 0.5983000 0.8567000 
1 1 1  -32    6   11 o   19.780   0.3014   20.010   0.4125   19.560   0.4396 0.4470000 0.6028000 
1 1 1  -32    6   12 o   30.710   0.3203   30.650   0.4379   30.770   0.4677 -0.1138000 0.6407000 
1 1 1  -32    6   13 o   62.440   0.5042   62.670   0.5849   62.200   0.8215 0.4681000 1.008000 
1 1 1  -32    6   14 o   79.690   0.8447   79.730   0.8444   79.650   1.4630 0.7719000E-01 1.689000 
1 1 1  -32    6   15 o   39.300   0.3753   39.420   0.4392   39.190   0.6087 0.2249000 0.7506000 
1 1 1  -32    6   16 o   22.090   0.3997   20.770   0.4845   23.400   0.6358 -2.630000 0.7994000 
1 1 1  -32    6   17 o   42.510   0.3967   42.390   0.4600   42.630   0.6465 -0.2332000 0.7934000 
1 1 1  -32    6   18 o   34.080   0.3553   33.810   0.5017   34.350   0.5033 -0.5405000 0.7106000 
1 1 1  -32    6   19 o   40.860   0.3719   40.770   0.5264   40.950   0.5254 -0.1799000 0.7437000 
1 1 1  -32    6   20 o   19.300   0.3595   18.440   0.5179   20.160   0.4986 -1.721000 0.7189000 
1 1 1  -32    6   21 o   19.780   0.3478   19.520   0.4944   20.050   0.4892 -0.5301000 0.6955000 
1 1 1  -32    6   22 o   14.460   0.4731   14.260   0.6387   14.670   0.6981 -0.4063000 0.9462000 
1 1 1  -32    6   23 o   20.020   0.3597   19.800   0.5171   20.240   0.5000 -0.4486000 0.7193000 
1 1 1  -32    6   24 o   11.610   0.6044   11.660   0.8024   11.550   0.9041 0.1060000 1.209000 
1 1 1  -32    6   25 o   19.040   0.3817   19.190   0.5480   18.890   0.5316 0.2925000 0.7635000 
1 1 1  -32    6   26 o   7.9280   0.8063   7.6630   1.1210   8.1920   1.1590 -0.5298000 1.613000 
1 1 1  -32    6   27 f   14.080   0.6147   13.460   0.8181   14.710   0.9177 -1.250000 1.229000 
1 1 1  -32    6   28 o   4.7770   1.2490   4.1470   1.5680   5.4080   1.9440 -1.261000 2.498000 
1 1 1  -32    6   29 o   12.160   0.7050   12.870   0.7271   11.450   1.2080 1.416000 1.410000 
1 1 1  -32    6   30 o   15.770   0.6134   16.080   0.6783   15.470   1.0220 0.6119000 1.227000 
1 1 1  -32    6   31 o   4.1610   1.1950   3.7650   1.6170   4.5580   1.7610 -0.7925000 2.390000 
1 1 1  -32    6   32 o   11.290   0.7596   10.850   1.1280   11.720   1.0180 -0.8621000 1.519000 
1 1 1  -32    6   33 o   6.8400   1.3350   5.9910   1.9680   7.6890   1.8060 -1.698000 2.671000 
1 1 1  -32    6   34 o   11.730   0.7763   13.080   0.9327   10.370   1.2410 2.717000 1.553000 
1 1 1  -32    6   35 o   3.3170   1.0950   2.7030   1.3380   3.9300   1.7330 -1.226000 2.189000 
1 1 1  -32    6   36 o   2.9100   0.9882   2.9690   1.4210   2.8500   1.3740 0.1189000 1.976000 
1 1 1  -32    8    1 o   38.210   0.3423   38.470   0.4850   37.950   0.4833 0.5251000 0.6847000 
1 1 1  -32    8    2 o   18.530   0.3448   17.350   0.4380   19.700   0.5326 -2.356000 0.6896000 
1 1 1  -32    8    3 o   45.590   0.3993   46.440   0.4523   44.730   0.6582 1.709000 0.7987000 
1 1 1  -32    8    4 o   23.030   0.2888   22.850   0.3426   23.220   0.4651 -0.3693000 0.5777000 
1 1 1  -32    8    5 o   41.470   0.3842   41.470   0.4899   41.470   0.5921 -0.7595000E-02 0.7685000 
1 1 1  -32    8    6 o   54.980   0.3966   55.670   0.5206   54.290   0.5984 1.381000 0.7932000 
1 1 1  -32    8    7 o   19.970   0.3394   20.380   0.4614   19.560   0.4979 0.8172000 0.6788000 
1 1 1  -32    8    8 o   68.410   0.5158   68.910   0.7344   67.920   0.7244 0.9898000 1.032000 
1 1 1  -32    8    9 o   61.110   0.4045   61.410   0.5739   60.820   0.5701 0.5912000 0.8090000 
1 1 1  -32    8   10 o   21.130   0.3230   20.720   0.4427   21.540   0.4705 -0.8280000 0.6460000 
1 1 1  -32    8   11 o   73.010   0.4750   72.750   0.6682   73.270   0.6752 -0.5204000 0.9500000 
1 1 1  -32    8   12 o   30.970   0.3221   30.480   0.4784   31.470   0.4313 -0.9950000 0.6441000 
1 1 1  -32    8   13 o   10.930   0.7740   11.190   1.0480   10.680   1.1390 0.5065000 1.548000 
1 1 1  -32    8   14 o   51.000   0.4203   50.780   0.5931   51.220   0.5955 -0.4365000 0.8405000 
1 1 1  -32    8   15 o   33.140   0.3096   33.240   0.4317   33.050   0.4438 0.1938000 0.6191000 
1 1 1  -32    8   16 o   18.600   0.3967   18.290   0.5550   18.910   0.5669 -0.6188000 0.7934000 
1 1 1  -32    8   17 o   42.250   0.3820   42.290   0.5357   42.210   0.5447 0.7475000E-01 0.7640000 
1 1 1  -32    8   18 o   40.210   0.3965   40.370   0.4550   40.050   0.6494 0.3220000 0.7929000 
1 1 1  -32    8   19 o   25.830   0.3981   26.430   0.4439   25.240   0.6609 1.183000 0.7961000 
1 1 1  -32    8   20 o   34.630   0.3838   34.190   0.4354   35.060   0.6322 -0.8760000 0.7676000 
1 1 1  -32    8   21 o   45.740   0.4206   45.350   0.4776   46.130   0.6925 -0.7798000 0.8412000 
1 1 1  -32    8   22 o   26.220   0.5119   26.100   0.4646   26.340   0.9123 -0.2406000 1.024000 
1 1 1  -32    8   23 f   16.940   0.6649   17.410   0.5919   16.460   1.1910 0.9538000 1.330000 
1 1 1  -32    8   24 o   16.270   0.4904   15.670   0.5570   16.870   0.8073 -1.197000 0.9808000 
1 1 1  -32    8   25 o   7.9530   0.9988   8.2490   1.0430   7.6560   1.7040 0.5927000 1.998000 
1 1 1  -32    8   26 o   13.370   0.6074   13.850   0.6435   12.890   1.0300 0.9586000 1.215000 
1 1 1  -32    8   27 o   3.7150   1.1350   3.7690   1.6090   3.6620   1.6010 0.1071000 2.270000 
1 1 1  -32    8   28 o   22.140   0.3633   21.690   0.5000   22.580   0.5272 -0.8917000 0.7266000 
1 1 1  -32    8   29 o   8.2210   0.9258   9.2890   1.0720   7.1530   1.5100 2.135000 1.852000 
1 1 1  -32    8   30 o   13.890   0.5688   13.810   0.7739   13.980   0.8337 -0.1648000 1.138000 
1 1 1  -32    8   31 o   17.690   0.4938   17.330   0.6974   18.050   0.6994 -0.7108000 0.9877000 
1 1 1  -32    8   32 o   3.1260   1.0580   3.7910   1.7170   2.4610   1.2350 1.330000 2.115000 
1 1 1  -32    8   33 o   3.1490   1.0490   3.0970   1.4630   3.2020   1.5050 -0.1047000 2.098000 
1 1 1  -32    8   34 o   8.7160   1.1300   10.150   1.2010   7.2800   1.9160 2.873000 2.261000 
1 1 1  -32    8   35 o   2.3790   0.8474   2.4410   1.2240   2.3180   1.1720 0.1232000 1.695000 
1 1 1  -32    8   36 f   3.4390   1.6510   3.4390   1.6510  ?   ?       ?      ? 
1 1 1  -32   10    1 o   65.630   0.4324   66.090   0.6133   65.180   0.6096 0.9122000 0.8648000 
1 1 1  -32   10    2 o  100.400   0.6401  100.800   0.9078  100.100   0.9026 0.7052000 1.280000 
1 1 1  -32   10    3 o   16.220   0.3510   16.220   0.4865   16.230   0.5061 -0.1509000E-01 0.7020000 
1 1 1  -32   10    4 o   34.920   0.2909   34.140   0.3999   35.690   0.4227 -1.549000 0.5819000 
1 1 1  -32   10    5 o   60.890   0.4046   60.120   0.5634   61.650   0.5808 -1.531000 0.8091000 
1 1 1  -32   10    6 o   49.850   0.3479   49.400   0.4851   50.300   0.4989 -0.8916000 0.6958000 
1 1 1  -32   10    7 o   27.440   0.3029   27.480   0.4057   27.400   0.4500 0.8608000E-01 0.6058000 
1 1 1  -32   10    8 o  10.0000   0.7087   11.170   0.7888   8.8350   1.1780 2.338000 1.417000 
1 1 1  -32   10    9 o   23.210   0.3461   23.470   0.4672   22.950   0.5109 0.5175000 0.6923000 
1 1 1  -32   10   10 o   30.210   0.3145   30.290   0.4316   30.130   0.4575 0.1604000 0.6290000 
1 1 1  -32   10   11 o   25.750   0.3360   25.980   0.4563   25.520   0.4935 0.4616000 0.6721000 
1 1 1  -32   10   12 o   56.670   0.4571   56.740   0.6465   56.600   0.6465 0.1460000 0.9143000 
1 1 1  -32   10   13 o   58.910   0.4699   59.280   0.6676   58.530   0.6615 0.7522000 0.9398000 
1 1 1  -32   10   14 o   23.500   0.4161   22.710   0.5742   24.280   0.6023 -1.562000 0.8322000 
1 1 1  -32   10   15 o   36.660   0.3762   36.330   0.5222   36.980   0.5415 -0.6485000 0.7523000 
1 1 1  -32   10   16 o   4.1600   1.1360   3.4740   1.5060   4.8470   1.7020 -1.373000 2.272000 
1 1 1  -32   10   17 o   11.760   0.6091   10.880   0.8939   12.640   0.8278 -1.758000 1.218000 
1 1 1  -32   10   18 o   13.840   0.5866   13.690   0.6957   13.990   0.9447 -0.2999000 1.173000 
1 1 1  -32   10   19 o   13.380   0.6029   13.010   0.7130   13.740   0.9723 -0.7316000 1.206000 
1 1 1  -32   10   20 o   26.990   0.3849   27.080   0.4432   26.890   0.6294 0.1911000 0.7697000 
1 1 1  -32   10   21 o   16.850   0.6686   16.470   0.6713   17.240   1.1560 -0.7697000 1.337000 
1 1 1  -32   10   22 f   9.9280   1.0910   9.9280   1.0910  ?   ?       ?      ? 
1 1 1  -32   10   23 o   13.370   0.6533   13.210   0.6600   13.530   1.1280 -0.3184000 1.307000 
1 1 1  -32   10   24 o   16.970   0.5598   16.970   0.5598  ?   ?       ?      ? 
1 1 1  -32   10   25 o   17.600   0.5280   18.230   0.5245   16.970   0.9165 1.266000 1.056000 
1 1 1  -32   10   26 o   11.730   1.1660   12.180   0.9349   11.280   2.1360 0.8999000 2.332000 
1 1 1  -32   10   27 o   9.6540   0.9106   8.5070   1.4070   10.800   1.1570 -2.294000 1.821000 
1 1 1  -32   10   28 o   7.3940   1.0300   7.6860   1.3320   7.1030   1.5710 0.5826000 2.060000 
1 1 1  -32   10   29 o   4.5290   1.1990   4.7950   1.6960   4.2630   1.6970 0.5322000 2.399000 
1 1 1  -32   10   30 o   10.960   0.7663   10.840   1.0710   11.070   1.0960 -0.2293000 1.533000 
1 1 1  -32   10   31 o   6.4700   1.3980   6.7910   1.9650   6.1490   1.9890 0.6417000 2.796000 
1 1 1  -32   10   32 o   3.6270   1.1420   4.0290   1.7120   3.2240   1.5120 0.8049000 2.284000 
1 1 1  -32   10   33 o   3.0040   1.0110   2.6290   1.2920   3.3800   1.5560 -0.7513000 2.022000 
1 1 1  -32   10   34 o   3.0160   1.0260   3.3820   1.5750   2.6510   1.3150 0.7309000 2.052000 
1 1 1  -32   10   35 o   2.6160   0.9221   2.6880   1.3350   2.5440   1.2730 0.1439000 1.844000 
1 1 1  -32   12    1 o   44.470   0.3926   41.880   0.5231   47.060   0.5855 -5.183000 0.7852000 
1 1 1  -32   12    2 o   97.460   0.6244   97.210   0.8806   97.710   0.8855 -0.5009000 1.249000 
1 1 1  -32   12    3 o   46.270   0.3415   45.960   0.4772   46.580   0.4887 -0.6264000 0.6830000 
1 1 1  -32   12    4 o   43.860   0.3373   44.700   0.4716   43.030   0.4824 1.677000 0.6746000 
1 1 1  -32   12    5 o   76.960   0.5018   76.650   0.7049   77.270   0.7144 -0.6190000 1.004000 
1 1 1  -32   12    6 o   40.050   0.3243   39.260   0.4451   40.840   0.4716 -1.574000 0.6485000 
1 1 1  -32   12    7 o   15.550   0.4874   14.900   0.6718   16.190   0.7063 -1.296000 0.9748000 
1 1 1  -32   12    8 o   31.200   0.3230   30.990   0.4418   31.420   0.4713 -0.4274000 0.6460000 
1 1 1  -32   12    9 o   38.110   0.3523   36.660   0.4480   39.550   0.5439 -2.882000 0.7047000 
1 1 1  -32   12   10 o   53.680   0.6674   52.330   1.0780   55.020   0.7867 -2.690000 1.335000 
1 1 1  -32   12   11 o   23.340   0.5916   22.000   0.8663   24.690   0.8058 -2.699000 1.183000 
1 1 1  -32   12   12 o   23.250   0.6088   23.250   0.6088  ?   ?       ?      ? 
1 1 1  -32   12   13 o   32.120   0.4077   32.210   0.4629   32.030   0.6713 0.1787000 0.8154000 
1 1 1  -32   12   14 o   13.300   0.6932   12.700   0.8364   13.900   1.1060 -1.200000 1.386000 
1 1 1  -32   12   15 o   17.490   0.5374   18.090   0.6045   16.900   0.8888 1.191000 1.075000 
1 1 1  -32   12   16 o   36.740   0.3959   37.530   0.4599   35.960   0.6446 1.565000 0.7918000 
1 1 1  -32   12   17 o   30.460   0.3885   30.850   0.4535   30.060   0.6310 0.7852000 0.7770000 
1 1 1  -32   12   18 o   22.090   0.3563   22.570   0.4885   21.600   0.5189 0.9764000 0.7127000 
1 1 1  -32   12   19 o   23.040   0.3937   22.950   0.5423   23.140   0.5710 -0.1897000 0.7875000 
1 1 1  -32   12   20 o   3.8150   1.1030   4.5100   1.6530   3.1200   1.4610 1.390000 2.206000 
1 1 1  -32   12   21 o   23.790   0.3695   23.560   0.5026   24.020   0.5417 -0.4619000 0.7389000 
1 1 1  -32   12   22 o   14.550   0.4710   14.380   0.6401   14.720   0.6913 -0.3395000 0.9421000 
1 1 1  -32   12   23 o   16.350   0.4376   16.220   0.5931   16.490   0.6435 -0.2615000 0.8751000 
1 1 1  -32   12   24 o   9.9440   0.6986   9.3100   1.0090   10.580   0.9667 -1.267000 1.397000 
1 1 1  -32   12   25 o   23.610   0.3564   23.630   0.4865   23.590   0.5210 0.4744000E-01 0.7129000 
1 1 1  -32   12   26 o   8.5080   1.4920   8.9530   1.3830   8.0630   2.6450 0.8906000 2.985000 
1 1 1  -32   12   27 o   7.2340   1.2700   7.5770   1.3570   6.8900   2.1470 0.6867000 2.539000 
1 1 1  -32   12   28 o   6.1080   1.3080   6.9980   1.5320   5.2180   2.1210 1.780000 2.616000 
1 1 1  -32   12   29 o   6.6130   1.3750   4.4140   1.8490   8.8120   2.0350 -4.398000 2.750000 
1 1 1  -32   12   30 o   9.1080   1.2750   11.690   1.2630   6.5240   2.2160 5.169000 2.550000 
1 1 1  -32   12   31 o   8.0300   1.1090   6.7440   1.7330   9.3170   1.3830 -2.573000 2.218000 
1 1 1  -32   12   32 o   6.0540   1.3080   5.7590   1.8390   6.3480   1.8590 -0.5886000 2.615000 
1 1 1  -32   12   33 o   8.4540   1.0650   6.9320   1.7190   9.9760   1.2580 -3.043000 2.130000 
1 1 1  -32   12   34 o   2.4010   0.8651   2.3840   1.2150   2.4190   1.2310 -0.3489000E-01 1.730000 
1 1 1  -32   14    1 o   17.270   0.6135   16.940   0.8456   17.590   0.8892 -0.6489000 1.227000 
1 1 1  -32   14    2 o   27.670   0.6477   27.670   0.6477  ?   ?       ?      ? 
1 1 1  -32   14    3 o   41.550   0.4739   41.510   0.6632   41.590   0.6770 -0.8720000E-01 0.9477000 
1 1 1  -32   14    4 o   36.710   0.4612   36.690   0.6420   36.720   0.6622 -0.3102000E-01 0.9224000 
1 1 1  -32   14    5 o   20.070   0.5724   19.290   0.8007   20.840   0.8183 -1.545000 1.145000 
1 1 1  -32   14    6 o   10.100   1.4240   10.840   1.3480   9.3640   2.5100 1.475000 2.849000 
1 1 1  -32   14    7 o   72.510   0.8420   72.310   0.9573   72.720   1.3850 -0.4108000 1.684000 
1 1 1  -32   14    8 o   55.240   0.5108   55.860   0.6427   54.620   0.7941 1.233000 1.022000 
1 1 1  -32   14    9 o   24.000   0.4716   24.030   0.5075   23.970   0.7950 0.5270000E-01 0.9432000 
1 1 1  -32   14   10 o   9.7070   0.9974   9.3280   1.1360   10.090   1.6400 -0.7567000 1.995000 
1 1 1  -32   14   11 o   16.830   0.5775   17.000   0.6317   16.650   0.9670 0.3502000 1.155000 
1 1 1  -32   14   12 o   8.8460   0.9295   8.5920   1.3130   9.1010   1.3160 -0.5091000 1.859000 
1 1 1  -32   14   13 o   36.790   0.3359   37.230   0.4694   36.350   0.4806 0.8790000 0.6718000 
1 1 1  -32   14   14 o   36.940   0.3340   37.050   0.4686   36.820   0.4761 0.2334000 0.6681000 
1 1 1  -32   14   15 o   22.970   0.3660   23.170   0.5117   22.770   0.5234 0.3912000 0.7320000 
1 1 1  -32   14   16 f   20.520   0.3843   20.610   0.5371   20.420   0.5499 0.1912000 0.7687000 
1 1 1  -32   14   17 o   17.270   0.4872   16.630   0.6927   17.920   0.6852 -1.298000 0.9743000 
1 1 1  -32   14   18 o   8.5260   0.9602   8.0240   1.3560   9.0290   1.3600 -1.006000 1.920000 
1 1 1  -32   14   19 o   9.4820   0.7821   9.0260   1.0800   9.9380   1.1310 -0.9122000 1.564000 
1 1 1  -32   14   20 o   5.6350   1.2010   5.6200   1.6450   5.6500   1.7510 -0.3058000E-01 2.403000 
1 1 1  -32   14   21 f   12.150   0.5914   12.780   0.7560   11.520   0.9098 1.265000 1.183000 
1 1 1  -32   14   22 o   3.7720   1.1140   3.9170   1.5900   3.6280   1.5600 0.2888000 2.227000 
1 1 1  -32   14   23 o   25.080   0.3489   24.890   0.4806   25.270   0.5060 -0.3730000 0.6979000 
1 1 1  -32   14   24 o   13.910   0.5300   14.270   0.6990   13.550   0.7969 0.7221000 1.060000 
1 1 1  -32   14   25 o   15.980   0.5693   15.740   0.8008   16.220   0.8095 -0.4808000 1.139000 
1 1 1  -32   14   26 o   12.560   0.6350   12.990   0.8456   12.120   0.9475 0.8764000 1.270000 
1 1 1  -32   14   27 o   4.1610   1.1870   4.5900   1.7180   3.7330   1.6380 0.8575000 2.373000 
1 1 1  -32   14   28 o   3.5400   1.1450   4.2540   1.8160   2.8260   1.3940 1.428000 2.289000 
1 1 1  -32   14   29 o   5.5560   1.3010   6.2620   1.8080   4.8490   1.8710 1.413000 2.602000 
1 1 1  -32   14   30 o   5.2600   1.4020   5.6470   1.8550   4.8730   2.1030 0.7747000 2.804000 
1 1 1  -32   14   31 o   10.060   1.1860   10.290   1.2590   9.8350   2.0100 0.4523000 2.372000 
1 1 1  -32   14   32 f   3.8170   1.2300   3.6230   1.6330   4.0110   1.8390 -0.3878000 2.460000 
1 1 1  -32   14   33 o   2.6090   0.9391   2.6530   1.3400   2.5640   1.3160 0.8875000E-01 1.878000 
1 1 1  -32   16    1 o   20.640   0.5431   20.060   0.5762   21.230   0.9207 -1.171000 1.086000 
1 1 1  -32   16    2 o   16.520   0.6544   16.630   0.6612   16.410   1.1300 0.2261000 1.309000 
1 1 1  -32   16    3 o   31.720   0.4308   31.320   0.4626   32.130   0.7269 -0.8173000 0.8616000 
1 1 1  -32   16    4 o   20.890   0.5303   20.580   0.5574   21.210   0.9023 -0.6288000 1.061000 
1 1 1  -32   16    5 o   22.830   0.3916   23.250   0.5136   22.420   0.5914 0.8354000 0.7833000 
1 1 1  -32   16    6 o   31.950   0.3359   31.260   0.4566   32.640   0.4927 -1.379000 0.6717000 
1 1 1  -32   16    7 o   18.770   0.4447   18.880   0.5871   18.660   0.6681 0.2140000 0.8894000 
1 1 1  -32   16    8 o   24.980   0.4012   25.550   0.4880   24.400   0.6370 1.157000 0.8024000 
1 1 1  -32   16    9 o   25.460   0.3597   25.760   0.4827   25.160   0.5333 0.5971000 0.7193000 
1 1 1  -32   16   10 o   23.040   0.3739   22.790   0.5101   23.290   0.5467 -0.4958000 0.7477000 
1 1 1  -32   16   11 o   12.610   0.6075   12.630   0.8042   12.590   0.9109 0.4080000E-01 1.215000 
1 1 1  -32   16   12 o   6.4320   1.1400   6.4060   1.5540   6.4570   1.6670 -0.5164000E-01 2.279000 
1 1 1  -32   16   13 o   5.0400   1.2890   5.7820   1.8640   4.2970   1.7820 1.485000 2.579000 
1 1 1  -32   16   14 o   8.7680   1.0420   10.430   1.1790   7.1080   1.7190 3.320000 2.084000 
1 1 1  -32   16   15 o   11.860   0.7348   11.670   1.0340   12.050   1.0450 -0.3861000 1.470000 
1 1 1  -32   16   16 o   26.000   0.3481   25.390   0.4949   26.620   0.4896 -1.236000 0.6961000 
1 1 1  -32   16   17 o   20.640   0.3956   19.830   0.5716   21.460   0.5470 -1.628000 0.7912000 
1 1 1  -32   16   18 o   24.820   0.3843   24.960   0.5241   24.680   0.5623 0.2790000 0.7686000 
1 1 1  -32   16   19 o   15.720   0.5204   15.500   0.6866   15.940   0.7823 -0.4401000 1.041000 
1 1 1  -32   16   20 o   20.090   0.4091   20.150   0.5634   20.020   0.5932 0.1374000 0.8181000 
1 1 1  -32   16   21 o   12.010   0.6355   12.070   0.8588   11.950   0.9368 0.1200000 1.271000 
1 1 1  -32   16   22 f   23.480   0.3726   22.750   0.5233   24.220   0.5306 -1.473000 0.7453000 
1 1 1  -32   16   23 o   22.390   0.3881   22.100   0.5329   22.680   0.5643 -0.5875000 0.7762000 
1 1 1  -32   16   24 o   14.310   0.6649   15.210   0.8854   13.420   0.9922 1.789000 1.330000 
1 1 1  -32   16   25 o   4.2220   1.1780   3.3300   1.5030   5.1150   1.8140 -1.786000 2.356000 
1 1 1  -32   16   26 f   11.690   0.8850   10.440   1.3210   12.940   1.1780 -2.495000 1.770000 
1 1 1  -32   16   27 o   4.4130   1.3300   4.2450   1.8350   4.5810   1.9260 -0.3368000 2.660000 
1 1 1  -32   16   28 o   10.270   0.8738   10.850   1.1460   9.6880   1.3200 1.161000 1.748000 
1 1 1  -32   16   29 o   5.8640   1.2900   4.8000   1.8440   6.9290   1.8030 -2.129000 2.579000 
1 1 1  -32   16   30 o   3.3900   1.1070   3.3110   1.5380   3.4690   1.5920 -0.1585000 2.213000 
1 1 1  -32   16   31 o   5.2210   1.2740   6.8620   1.9390   3.5800   1.6530 3.282000 2.548000 
1 1 1  -32   16   32 o   2.7750   0.9828   3.0040   1.4860   2.5470   1.2870 0.4563000 1.966000 
1 1 1  -32   18    1 o   17.990   0.4920   17.410   0.6946   18.570   0.6971 -1.163000 0.9841000 
1 1 1  -32   18    2 o   13.240   0.6430   13.990   0.8344   12.490   0.9785 1.505000 1.286000 
1 1 1  -32   18    3 o   20.650   0.4433   19.700   0.6272   21.600   0.6267 -1.901000 0.8866000 
1 1 1  -32   18    4 o   19.090   0.4596   18.830   0.6408   19.350   0.6590 -0.5135000 0.9192000 
1 1 1  -32   18    5 o   18.050   0.5061   17.130   0.6872   18.980   0.7433 -1.858000 1.012000 
1 1 1  -32   18    6 o   22.180   0.4363   21.710   0.5874   22.650   0.6453 -0.9385000 0.8726000 
1 1 1  -32   18    7 o   21.280   0.4516   21.080   0.6066   21.480   0.6692 -0.3962000 0.9032000 
1 1 1  -32   18    8 o   18.140   0.5045   18.350   0.6647   17.930   0.7592 0.4204000 1.009000 
1 1 1  -32   18    9 o   15.890   0.5598   16.040   0.7421   15.750   0.8384 0.2839000 1.120000 
1 1 1  -32   18   10 o   17.850   0.5134   19.030   0.6489   16.670   0.7959 2.363000 1.027000 
1 1 1  -32   18   11 o   6.3270   1.1380   7.1030   1.4750   5.5510   1.7330 1.552000 2.276000 
1 1 1  -32   18   12 o   6.9700   1.0830   7.8560   1.3090   6.0840   1.7250 1.771000 2.165000 
1 1 1  -32   18   13 o   19.010   0.4143   19.040   0.5485   18.980   0.6212 0.6716000E-01 0.8287000 
1 1 1  -32   18   14 o   18.540   0.4199   18.210   0.5692   18.880   0.6176 -0.6637000 0.8399000 
1 1 1  -32   18   15 f   16.620   0.4753   17.280   0.6344   15.960   0.7080 1.320000 0.9506000 
1 1 1  -32   18   16 o   22.260   0.4191   21.670   0.5833   22.840   0.6019 -1.162000 0.8381000 
1 1 1  -32   18   17 o   8.4890   0.9759   8.5010   1.3050   8.4770   1.4510 0.2359000E-01 1.952000 
1 1 1  -32   18   18 o   10.820   0.7114   11.000   0.9524   10.640   1.0570 0.3614000 1.423000 
1 1 1  -32   18   19 o   5.1130   1.1310   6.5170   1.5960   3.7090   1.6040 2.808000 2.263000 
1 1 1  -32   18   20 o   12.400   0.6366   13.280   0.8026   11.530   0.9885 1.747000 1.273000 
1 1 1  -32   18   21 o   19.510   0.4407   20.130   0.5860   18.900   0.6583 1.228000 0.8814000 
1 1 1  -32   18   22 o   20.800   0.4681   19.660   0.6213   21.930   0.7002 -2.270000 0.9361000 
1 1 1  -32   18   23 o   19.680   0.5354   19.470   0.7746   19.890   0.7392 -0.4175000 1.071000 
1 1 1  -32   18   24 o   3.9860   1.2470   4.0110   1.7650   3.9620   1.7630 0.4848000E-01 2.495000 
1 1 1  -32   18   25 o   3.8680   1.2320   3.6230   1.6710   4.1130   1.8120 -0.4895000 2.465000 
1 1 1  -32   18   26 o   12.080   0.7385   11.310   1.0750   12.850   1.0130 -1.542000 1.477000 
1 1 1  -32   18   27 o   8.5130   1.1230   10.050   1.2720   6.9760   1.8510 3.075000 2.246000 
1 1 1  -32   18   28 o   4.2710   1.2430   3.6170   1.6340   4.9250   1.8730 -1.308000 2.486000 
1 1 1  -32   18   29 o   4.2190   1.2710   4.9150   1.9670   3.5230   1.6090 1.392000 2.541000 
1 1 1  -32   18   30 f   2.4080   0.8616   2.5830   1.2940   2.2330   1.1370 0.3494000 1.723000 
1 1 1  -32   18   31 o   2.7850   0.9591   2.9140   1.3970   2.6560   1.3150 0.2578000 1.918000 
1 1 1  -32   20    1 o   22.820   0.3697   22.910   0.5220   22.730   0.5237 0.1784000 0.7395000 
1 1 1  -32   20    2 o   13.190   0.5704   14.460   0.7191   11.910   0.8857 2.548000 1.141000 
1 1 1  -32   20    3 f   22.300   0.3707   22.040   0.5207   22.550   0.5278 -0.5049000 0.7414000 
1 1 1  -32   20    4 o   10.770   0.6803   9.9440   1.0240   11.590   0.8960 -1.648000 1.361000 
1 1 1  -32   20    5 o   21.300   0.3921   20.850   0.5386   21.750   0.5700 -0.9064000 0.7842000 
1 1 1  -32   20    6 o   11.160   0.6839   11.580   0.8847   10.750   1.0430 0.8378000 1.368000 
1 1 1  -32   20    7 o   16.100   0.4844   16.470   0.6471   15.740   0.7211 0.7300000 0.9689000 
1 1 1  -32   20    8 o   22.750   0.3768   22.660   0.5165   22.840   0.5489 -0.1799000 0.7537000 
1 1 1  -32   20    9 o   4.3680   1.1280   3.1350   1.4320   5.6010   1.7440 -2.466000 2.257000 
1 1 1  -32   20   10 o   3.1850   1.0330   3.0770   1.4180   3.2930   1.5010 -0.2161000 2.065000 
1 1 1  -32   20   11 o   21.300   0.3923   21.860   0.5214   20.730   0.5864 1.131000 0.7847000 
1 1 1  -32   20   12 o   17.980   0.4456   17.410   0.6203   18.550   0.6399 -1.140000 0.8912000 
1 1 1  -32   20   13 o   11.630   0.7409   11.110   1.0390   12.150   1.0560 -1.036000 1.482000 
1 1 1  -32   20   14 o   3.9990   1.2020   4.0090   1.6750   3.9890   1.7250 0.1956000E-01 2.405000 
1 1 1  -32   20   15 o   14.790   0.5767   14.700   0.8326   14.870   0.7981 -0.1749000 1.153000 
1 1 1  -32   20   16 o   47.010   0.3944   46.510   0.5857   47.510   0.5284 -1.001000 0.7888000 
1 1 1  -32   20   17 o   12.580   0.6509   11.740   0.9420   13.410   0.8984 -1.672000 1.302000 
1 1 1  -32   20   18 o   5.2450   1.1650   6.5960   1.6270   3.8940   1.6660 2.701000 2.329000 
1 1 1  -32   20   19 o   3.5780   1.1090   4.0310   1.6670   3.1240   1.4640 0.9065000 2.218000 
1 1 1  -32   20   20 o   13.450   0.6338   13.080   0.8972   13.830   0.8954 -0.7521000 1.268000 
1 1 1  -32   20   21 o   14.170   1.0580   12.610   1.7600   15.740   1.1750 -3.131000 2.116000 
1 1 1  -32   20   22 o   18.730   0.6225   18.760   0.9034   18.700   0.8567 0.5247000E-01 1.245000 
1 1 1  -32   20   23 o   6.3240   1.0690   8.9180   1.3540   3.7300   1.6560 5.188000 2.139000 
1 1 1  -32   20   24 o   5.5850   1.2350   4.0280   1.6940   7.1420   1.7980 -3.114000 2.471000 
1 1 1  -32   20   25 o   3.9640   1.1990   3.4850   1.5840   4.4420   1.8000 -0.9571000 2.398000 
1 1 1  -32   20   26 o   5.0100   1.3460   4.5610   1.9240   5.4580   1.8820 -0.8969000 2.692000 
1 1 1  -32   20   27 o   3.2330   1.0720   3.1750   1.5030   3.2910   1.5300 -0.1165000 2.144000 
1 1 1  -32   20   28 o   9.3570   1.1100   9.9860   1.4880   8.7290   1.6470 1.257000 2.219000 
1 1 1  -32   20   29 o   2.4270   0.8552   2.2350   1.1250   2.6180   1.2880 -0.3827000 1.710000 
1 1 1  -32   22    1 o   23.050   0.4441   23.420   0.6240   22.680   0.6320 0.7435000 0.8881000 
1 1 1  -32   22    2 o   10.180   0.8677   10.330   1.2150   10.030   1.2390 0.3026000 1.735000 
1 1 1  -32   22    3 o   3.6180   1.1320   3.0370   1.4450   4.1980   1.7430 -1.161000 2.264000 
1 1 1  -32   22    4 o   7.2240   1.2070   7.4850   1.6870   6.9620   1.7260 0.5226000 2.413000 
1 1 1  -32   22    5 o   21.660   0.4702   21.530   0.6472   21.800   0.6823 -0.2706000 0.9405000 
1 1 1  -32   22    6 o   8.6670   1.0760   7.8480   1.5960   9.4860   1.4430 -1.638000 2.152000 
1 1 1  -32   22    7 f   3.2790   1.0860   3.0990   1.4660   3.4590   1.6040 -0.3602000 2.173000 
1 1 1  -32   22    8 o   17.830   0.5477   17.640   0.7485   18.020   0.7999 -0.3845000 1.095000 
1 1 1  -32   22    9 o   6.9500   1.3000   7.1300   1.7380   6.7700   1.9330 0.3605000 2.599000 
1 1 1  -32   22   10 o   17.260   0.5580   16.490   0.7866   18.030   0.7917 -1.543000 1.116000 
1 1 1  -32   22   11 f   19.600   0.4733   19.840   0.6832   19.350   0.6553 0.4912000 0.9467000 
1 1 1  -32   22   12 o   5.8720   1.2290   5.6450   1.6990   6.0990   1.7760 -0.4540000 2.458000 
1 1 1  -32   22   13 o   14.430   0.5718   14.650   0.7471   14.210   0.8658 0.4392000 1.144000 
1 1 1  -32   22   14 o   8.4580   1.0280   10.210   1.0560   6.7080   1.7640 3.501000 2.056000 
1 1 1  -32   22   15 o   6.6900   1.1780   5.6440   1.7170   7.7370   1.6150 -2.093000 2.357000 
1 1 1  -32   22   16 o   7.8650   1.1870   7.8170   1.7800   7.9130   1.5710 -0.9558000E-01 2.374000 
1 1 1  -32   22   17 o   8.7740   0.9771   8.6730   1.3340   8.8740   1.4280 -0.2012000 1.954000 
1 1 1  -32   22   18 o   5.1180   1.4760   6.6580   2.4150   3.5790   1.6990 3.078000 2.953000 
1 1 1  -32   22   19 o   11.650   1.2700   11.220   1.9630   12.090   1.6120 -0.8786000 2.540000 
1 1 1  -32   22   20 o   12.080   0.7562   11.910   1.0550   12.250   1.0830 -0.3407000 1.512000 
1 1 1  -32   22   21 o   16.170   0.5777   16.310   0.7772   16.040   0.8548 0.2679000 1.155000 
1 1 1  -32   22   22 o   15.960   0.6603   15.350   1.0290   16.570   0.8280 -1.224000 1.321000 
1 1 1  -32   22   23 o   4.2260   1.2440   4.5580   1.8030   3.8940   1.7160 0.6648000 2.489000 
1 1 1  -32   22   24 o   5.9320   1.3280   5.5050   1.8860   6.3580   1.8710 -0.8527000 2.657000 
1 1 1  -32   22   25 o   2.9940   1.0310   3.1360   1.5100   2.8510   1.4040 0.2855000 2.062000 
1 1 1  -32   22   26 o   3.2900   1.0860   4.0530   1.7640   2.5280   1.2670 1.525000 2.172000 
1 1 1  -32   22   27 o   3.0970   1.0350   2.9900   1.4270   3.2040   1.4980 -0.2145000 2.069000 
1 1 1  -32   22   28 o   2.0680   1.0750   2.0680   1.0750  ?   ?       ?      ? 
1 1 1  -32   24    1 o   5.8560   1.2260   6.6740   1.6460   5.0380   1.8190 1.636000 2.453000 
1 1 1  -32   24    2 o   8.3440   1.0240   6.6330   1.6600   10.060   1.1980 -3.422000 2.047000 
1 1 1  -32   24    3 f   17.520   0.4791   17.770   0.6551   17.260   0.6994 0.5076000 0.9583000 
1 1 1  -32   24    4 o   14.120   0.5791   13.880   0.8198   14.360   0.8183 -0.4862000 1.158000 
1 1 1  -32   24    5 o   5.5260   1.2680   5.0620   1.7540   5.9900   1.8330 -0.9282000 2.537000 
1 1 1  -32   24    6 o   7.0850   1.1470   6.1360   1.7020   8.0340   1.5380 -1.898000 2.294000 
1 1 1  -32   24    7 o   7.5580   1.1090   8.6210   1.3210   6.4950   1.7810 2.126000 2.218000 
1 1 1  -32   24    8 o   7.7130   1.0780   7.8660   1.4230   7.5610   1.6190 0.3056000 2.155000 
1 1 1  -32   24    9 o   7.1610   1.1270   8.9180   1.2800   5.4040   1.8550 3.514000 2.254000 
1 1 1  -32   24   10 o   3.6200   1.1360   3.5250   1.5670   3.7140   1.6450 -0.1881000 2.272000 
1 1 1  -32   24   11 o   10.530   0.8209   11.590   0.9866   9.4720   1.3120 2.117000 1.642000 
1 1 1  -32   24   12 o   5.3620   1.2110   3.9720   1.6580   6.7510   1.7660 -2.779000 2.422000 
1 1 1  -32   24   13 o   15.010   0.6762   14.860   0.9451   15.160   0.9673 -0.3000000 1.352000 
1 1 1  -32   24   14 o   9.8010   1.0510   9.1270   1.5680   10.480   1.3990 -1.349000 2.101000 
1 1 1  -32   24   15 o   5.7660   1.4720   4.4180   1.9470   7.1140   2.2070 -2.696000 2.943000 
1 1 1  -32   24   16 o   4.2960   1.2600   3.1390   1.4980   5.4530   2.0270 -2.314000 2.520000 
1 1 1  -32   24   17 o   8.1290   1.2640   8.1910   1.6660   8.0670   1.9010 0.1232000 2.528000 
1 1 1  -32   24   18 o   8.0020   1.1470   8.0880   1.5270   7.9160   1.7130 0.1722000 2.295000 
1 1 1  -32   24   19 o   4.0290   1.2200   4.1450   1.7290   3.9120   1.7210 0.2330000 2.440000 
1 1 1  -32   24   20 o   4.6530   1.3020   4.5600   1.8200   4.7450   1.8630 -0.1846000 2.604000 
1 1 1  -32   24   21 o   6.0920   1.3290   6.7590   1.8140   5.4240   1.9430 1.334000 2.658000 
1 1 1  -32   24   22 o   3.9930   1.2240   4.0800   1.7450   3.9050   1.7170 0.1743000 2.448000 
1 1 1  -32   24   23 o   3.4400   1.1340   3.9090   1.7440   2.9710   1.4510 0.9382000 2.269000 
1 1 1  -32   24   24 o   3.2050   1.0500   2.4220   1.2080   3.9890   1.7170 -1.566000 2.099000 
1 1 1  -32   24   25 o   2.4080   0.8503   2.6280   1.2900   2.1880   1.1080 0.4403000 1.701000 
1 1 1  -32   26    1 o   14.830   0.6776   14.700   0.9927   14.960   0.9227 -0.2572000 1.355000 
1 1 1  -32   26    2 o   12.820   0.7767   13.770   1.0500   11.880   1.1450 1.883000 1.553000 
1 1 1  -32   26    3 o   12.070   0.8017   11.640   1.2080   12.500   1.0540 -0.8688000 1.603000 
1 1 1  -32   26    4 o   12.380   0.7778   12.460   1.1160   12.300   1.0840 0.1615000 1.556000 
1 1 1  -32   26    5 o   8.6410   1.1490   8.2820   1.6440   9.0000   1.6070 -0.7177000 2.299000 
1 1 1  -32   26    6 o   11.390   0.8595   11.110   1.1990   11.670   1.2310 -0.5591000 1.719000 
1 1 1  -32   26    7 o   4.1780   1.2490   3.3520   1.5650   5.0030   1.9460 -1.651000 2.498000 
1 1 1  -32   26    8 o   13.620   0.7469   14.070   0.9970   13.180   1.1130 0.8846000 1.494000 
1 1 1  -32   26    9 o   5.5570   1.3310   6.7820   1.9080   4.3320   1.8570 2.449000 2.662000 
1 1 1  -32   26   10 o   4.0110   1.2470   4.3840   1.8390   3.6370   1.6850 0.7463000 2.494000 
1 1 1  -32   26   11 o   8.3880   1.2280   8.1550   1.7180   8.6200   1.7550 -0.4653000 2.456000 
1 1 1  -32   26   12 o   4.4720   1.2830   5.2960   1.9340   3.6480   1.6860 1.648000 2.566000 
1 1 1  -32   26   13 o   3.8460   1.2110   2.9950   1.4520   4.6970   1.9380 -1.702000 2.421000 
1 1 1  -32   26   14 o   4.8230   1.3000   4.6330   1.7860   5.0140   1.8900 -0.3807000 2.600000 
1 1 1  -32   26   15 o   8.0260   1.1350   8.5710   1.4330   7.4820   1.7600 1.089000 2.270000 
1 1 1  -32   26   16 o   12.250   0.7385   12.710   0.9774   11.800   1.1070 0.9080000 1.477000 
1 1 1  -32   26   17 o   6.1300   1.3230   5.8570   1.8520   6.4030   1.8900 -0.5468000 2.646000 
1 1 1  -32   26   18 o   8.3830   1.1230   8.0960   1.5930   8.6710   1.5840 -0.5759000 2.247000 
1 1 1  -32   26   19 o   3.0540   1.0480   3.3700   1.5920   2.7390   1.3640 0.6310000 2.096000 
1 1 1  -32   26   20 o   3.6800   1.1890   3.9570   1.7560   3.4030   1.6030 0.5545000 2.378000 
1 1 1  -32   26   21 o   3.0230   1.0170   2.8710   1.3860   3.1750   1.4890 -0.3038000 2.034000 
1 1 1  -32   26   22 o   2.8400   0.9790   3.4030   1.5860   2.2770   1.1480 1.126000 1.958000 
1 1 1  -32   26   23 o   2.2200   0.8109   2.2100   1.1360   2.2300   1.1570 -0.2024000E-01 1.622000 
1 1 1  -32   28    1 o   8.2840   1.1220   8.9020   1.4450   7.6660   1.7160 1.236000 2.244000 
1 1 1  -32   28    2 o   6.7370   1.2800   6.7430   1.7950   6.7310   1.8270 0.1245000E-01 2.561000 
1 1 1  -32   28    3 o   10.730   0.8460   9.6930   1.3050   11.770   1.0770 -2.077000 1.692000 
1 1 1  -32   28    4 o   15.260   0.5910   14.930   0.8483   15.580   0.8231 -0.6495000 1.182000 
1 1 1  -32   28    5 o   15.110   0.5921   15.210   0.8218   15.010   0.8525 0.1980000 1.184000 
1 1 1  -32   28    6 o   4.9470   1.2960   5.2400   1.8390   4.6540   1.8250 0.5859000 2.591000 
1 1 1  -32   28    7 o   7.5420   1.1920   8.1190   1.5560   6.9660   1.8070 1.153000 2.385000 
1 1 1  -32   28    8 o   5.9150   1.2960   6.6350   1.7700   5.1960   1.8930 1.439000 2.591000 
1 1 1  -32   28    9 o   9.3360   0.9783   9.4900   1.2770   9.1830   1.4820 0.3068000 1.957000 
1 1 1  -32   28   10 o   3.7200   1.1340   2.5800   1.2730   4.8590   1.8780 -2.279000 2.269000 
1 1 1  -32   28   11 o   6.6760   1.1780   8.6310   1.4480   4.7220   1.8600 3.909000 2.357000 
1 1 1  -32   28   12 o   3.3920   1.0970   3.9220   1.6950   2.8620   1.3920 1.059000 2.193000 
1 1 1  -32   28   13 o   3.2850   1.0800   3.6090   1.6170   2.9610   1.4310 0.6474000 2.159000 
1 1 1  -32   28   14 o   5.5610   1.3950   5.3870   1.9350   5.7350   2.0090 -0.3475000 2.790000 
1 1 1  -32   28   15 o   4.5990   1.2460   5.8720   1.9310   3.3250   1.5760 2.548000 2.492000 
1 1 1  -32   28   16 o   3.9460   1.2280   4.0790   1.7590   3.8130   1.7130 0.2665000 2.456000 
1 1 1  -32   28   17 o   3.3360   1.0880   3.3310   1.5360   3.3420   1.5410 -0.1043000E-01 2.176000 
1 1 1  -32   28   18 o   6.5710   1.2220   7.7350   1.5790   5.4070   1.8640 2.328000 2.443000 
1 1 1  -32   28   19 o   2.6560   0.9202   2.5660   1.2630   2.7450   1.3390 -0.1792000 1.840000 
1 1 1  -32   28   20 o   2.0530   1.0670  ?   ?    2.0530   1.0670      ?      ? 
1 1 1  -32   30    1 o   3.8820   1.2300   4.2570   1.8230   3.5080   1.6530 0.7488000 2.460000 
1 1 1  -32   30    2 o   4.1260   1.2780   4.1280   1.7970   4.1240   1.8160 0.4506000E-02 2.555000 
1 1 1  -32   30    3 o   5.3090   1.4150   5.2840   1.9770   5.3340   2.0260 -0.5073000E-01 2.831000 
1 1 1  -32   30    4 o   3.6100   1.1830   3.9970   1.7540   3.2220   1.5870 0.7756000 2.366000 
1 1 1  -32   30    5 o   3.7290   1.2020   3.5500   1.6390   3.9070   1.7600 -0.3575000 2.405000 
1 1 1  -32   30    6 o   5.0780   1.2210   6.8810   1.8750   3.2750   1.5640 3.606000 2.441000 
1 1 1  -32   30    7 o   3.7090   1.1700   2.7360   1.3500   4.6820   1.9110 -1.947000 2.340000 
1 1 1  -32   30    8 o   10.320   1.0410   12.080   1.1770   8.5590   1.7180 3.525000 2.082000 
1 1 1  -32   30    9 o   3.5580   1.1580   3.8240   1.7120   3.2920   1.5580 0.5315000 2.315000 
1 1 1  -32   30   10 o   3.5810   1.1170   2.7780   1.3510   4.3840   1.7800 -1.606000 2.235000 
1 1 1  -32   30   11 o   4.6320   1.1640   6.2870   1.8400   2.9770   1.4270 3.310000 2.328000 
1 1 1  -32   30   12 o   3.5840   1.1120   2.8060   1.3580   4.3630   1.7610 -1.557000 2.224000 
1 1 1  -32   30   13 o   2.6810   0.9299   2.7570   1.3450   2.6040   1.2850 0.1533000 1.860000 
1 1 1  -32   30   14 o   6.4090   1.2050   7.7360   1.5610   5.0810   1.8360 2.655000 2.410000 
1 1 1  -32   30   15 o   2.0680   0.7435   1.9390   0.9903   2.1970   1.1090 -0.2579000 1.487000 
1 1 1  -32   32    1 o   3.8230   1.1700   4.3800   1.7550   3.2670   1.5490 1.113000 2.341000 
1 1 1  -32   32    2 o   5.4090   1.2990   4.8800   1.8170   5.9390   1.8570 -1.059000 2.598000 
1 1 1  -32   32    3 o   2.9880   1.0080   3.0020   1.4290   2.9740   1.4230 0.2830000E-01 2.016000 
1 1 1  -32   32    4 o   4.4730   1.1500   5.9290   1.8000   3.0160   1.4330 2.913000 2.300000 
1 1 1  -32   32    5 o   2.3230   0.8226   2.3750   1.1850   2.2720   1.1410 0.1029000 1.645000 
1 1 1  -32   32    6 o   2.2630   0.8041   2.4390   1.2100   2.0880   1.0600 0.3513000 1.608000 
1 1 1  -32   32    7 o   2.1150   0.7582   2.0530   1.0430   2.1770   1.1010 -0.1246000 1.516000 
1 1 1  -31    1    1 o   50.190   0.5639   50.490   0.6627   49.890   0.9124 0.5980000 1.128000 
1 1 1  -31    1    2 o   52.690   0.6835   52.690   0.6835  ?   ?       ?      ? 
1 1 1  -31    1    3 o  126.200   1.1280  126.200   1.1280  ?   ?       ?      ? 
1 1 1  -31    1    4 o  127.500   0.9855  128.200   1.1440  126.700   1.6050 1.473000 1.971000 
1 1 1  -31    1    5 o   81.750   0.6345   81.610   0.7309   81.890   1.0370 -0.2757000 1.269000 
1 1 1  -31    1    6 o   67.360   0.6836   66.750   0.6022   67.970   1.2280 -1.214000 1.367000 
1 1 1  -31    1    7 f   73.450   0.7657   73.270   0.7620   73.620   1.3280 -0.3530000 1.531000 
1 1 1  -31    1    8 o   23.320   0.2381   23.170   0.3618   23.460   0.3095 -0.2911000 0.4762000 
1 1 1  -31    1    9 o   60.880   0.3920   61.260   0.5580   60.490   0.5506 0.7784000 0.7839000 
1 1 1  -31    1   10 o   28.170   0.2945   29.630   0.4605   26.710   0.3673 2.914000 0.5890000 
1 1 1  -31    1   11 o   71.710   0.4973   72.200   0.7560   71.230   0.6461 0.9752000 0.9945000 
1 1 1  -31    1   12 o   45.270   0.3998   45.490   0.6208   45.060   0.5039 0.4311000 0.7996000 
1 1 1  -31    1   13 o   51.760   0.4006   51.470   0.5661   52.040   0.5671 -0.5655000 0.8013000 
1 1 1  -31    1   14 o   70.000   0.4526   69.970   0.6397   70.040   0.6405 -0.6510000E-01 0.9053000 
1 1 1  -31    1   15 o   48.520   0.3349   49.180   0.4784   47.870   0.4688 1.305000 0.6698000 
1 1 1  -31    1   16 o   37.120   0.3369   37.290   0.4704   36.950   0.4824 0.3365000 0.6738000 
1 1 1  -31    1   17 o   69.890   0.4564   69.920   0.6457   69.870   0.6451 0.4795000E-01 0.9128000 
1 1 1  -31    1   18 o   47.780   0.3404   48.020   0.4838   47.540   0.4790 0.4848000 0.6808000 
1 1 1  -31    1   19 o   43.500   0.3229   43.490   0.4562   43.510   0.4571 -0.1617000E-01 0.6458000 
1 1 1  -31    1   20 o   38.070   0.3059   37.810   0.4322   38.330   0.4331 -0.5254000 0.6119000 
1 1 1  -31    1   21 o   54.360   0.4330   54.400   0.6153   54.320   0.6093 0.8116000E-01 0.8660000 
1 1 1  -31    1   22 o   28.730   0.3721   28.680   0.4735   28.770   0.5742 -0.9542000E-01 0.7443000 
1 1 1  -31    1   23 o   18.230   0.3608   18.050   0.5092   18.400   0.5112 -0.3493000 0.7215000 
1 1 1  -31    1   24 o   10.890   0.5586   10.840   0.7969   10.950   0.7829 -0.1062000 1.117000 
1 1 1  -31    1   25 o   25.210   0.3059   24.670   0.4337   25.750   0.4316 -1.075000 0.6119000 
1 1 1  -31    1   26 o   23.730   0.3699   23.460   0.5173   24.000   0.5288 -0.5323000 0.7398000 
1 1 1  -31    1   27 o   7.3240   1.0090   7.0360   1.4790   7.6110   1.3720 -0.5750000 2.017000 
1 1 1  -31    1   28 o   3.0270   0.9649   3.1700   1.3980   2.8840   1.3310 0.2854000 1.930000 
1 1 1  -31    1   29 o   3.1190   0.9703   3.8650   1.5540   2.3730   1.1620 1.492000 1.941000 
1 1 1  -31    1   30 o   5.7610   1.1440   5.6660   1.5980   5.8560   1.6380 -0.1895000 2.288000 
1 1 1  -31    1   31 o   11.140   0.6858   11.840   0.9010   10.450   1.0340 1.391000 1.372000 
1 1 1  -31    1   32 o   4.9230   1.2030   5.8690   1.7440   3.9780   1.6560 1.890000 2.405000 
1 1 1  -31    1   33 o   5.7730   1.2370   6.4590   1.7080   5.0870   1.7900 1.372000 2.474000 
1 1 1  -31    1   34 o   3.6550   1.2100   3.7910   1.7490   3.5190   1.6710 0.2716000 2.419000 
1 1 1  -31    1   35 f   7.5860   1.2260   7.0730   1.8740   8.1000   1.5810 -1.028000 2.452000 
1 1 1  -31    1   36 o   2.4810   0.8741   2.4740   1.2320   2.4880   1.2400 -0.1462000E-01 1.748000 
1 1 1  -31    1   37 o   2.7560   0.9505   2.7260   1.3300   2.7860   1.3580 -0.5985000E-01 1.901000 
1 1 1  -31    3    1 o   58.770   0.3792   58.020   0.5292   59.530   0.5433 -1.508000 0.7585000 
1 1 1  -31    3    2 o   49.230   0.3998   49.190   0.6568   49.270   0.4560 -0.7401000E-01 0.7995000 
1 1 1  -31    3    3 o   89.830   0.8083   88.730   1.1290   90.920   1.1580 -2.197000 1.617000 
1 1 1  -31    3    4 o   77.320   0.6990   77.510   0.9897   77.130   0.9873 0.3799000 1.398000 
1 1 1  -31    3    5 o   61.120   0.5608   60.930   0.7899   61.310   0.7964 -0.3729000 1.122000 
1 1 1  -31    3    6 o   10.790   0.2566   10.710   0.3788   10.860   0.3463 -0.1424000 0.5132000 
1 1 1  -31    3    7 o   84.310   0.5352   84.820   0.7612   83.800   0.7525 1.019000 1.070000 
1 1 1  -31    3    8 o   61.920   0.6488   61.830   0.6531   62.010   1.1210 -0.1807000 1.298000 
1 1 1  -31    3    9 o   58.900   0.6223   58.560   0.6233   59.250   1.0770 -0.6974000 1.245000 
1 1 1  -31    3   10 o   29.720   0.2970   30.130   0.3860   29.320   0.4516 0.8134000 0.5941000 
1 1 1  -31    3   11 o   28.460   0.4710   28.460   0.4710  ?   ?       ?      ? 
1 1 1  -31    3   12 o   50.680   0.4134   51.060   0.4855   50.310   0.6691 0.7565000 0.8267000 
1 1 1  -31    3   13 o   69.660   0.7348   69.820   0.7404   69.510   1.2690 0.3105000 1.470000 
1 1 1  -31    3   14 o   52.990   0.4171   52.840   0.5882   53.140   0.5916 -0.2921000 0.8342000 
1 1 1  -31    3   15 o   27.360   0.3495   28.110   0.3980   26.620   0.5747 1.489000 0.6991000 
1 1 1  -31    3   16 o   10.510   0.5680   10.850   0.7708   10.160   0.8345 0.6901000 1.136000 
1 1 1  -31    3   17 o   8.7700   0.7060   9.2590   0.9280   8.2810   1.0640 0.9781000 1.412000 
1 1 1  -31    3   18 o   29.540   0.2936   29.400   0.4148   29.680   0.4157 -0.2737000 0.5873000 
1 1 1  -31    3   19 o   4.7750   1.1050   5.2790   1.5580   4.2700   1.5670 1.008000 2.210000 
1 1 1  -31    3   20 o   29.580   0.3428   29.410   0.4924   29.750   0.4770 -0.3410000 0.6856000 
1 1 1  -31    3   21 o   11.770   0.6173   10.830   0.9423   12.710   0.7975 -1.887000 1.235000 
1 1 1  -31    3   22 o   25.880   0.3387   26.170   0.4643   25.600   0.4933 0.5721000 0.6775000 
1 1 1  -31    3   23 o   21.230   0.3258   21.160   0.4582   21.300   0.4634 -0.1409000 0.6517000 
1 1 1  -31    3   24 o   11.890   0.5158   11.300   0.7534   12.490   0.7048 -1.190000 1.032000 
1 1 1  -31    3   25 o   21.790   0.3803   21.350   0.5272   22.230   0.5482 -0.8738000 0.7606000 
1 1 1  -31    3   26 o   13.510   0.5512   13.920   0.7229   13.110   0.8323 0.8109000 1.102000 
1 1 1  -31    3   27 o   5.4900   1.1430   4.2940   1.6690   6.6860   1.5610 -2.392000 2.285000 
1 1 1  -31    3   28 o   7.1930   0.9251   7.4960   1.2430   6.8900   1.3710 0.6058000 1.850000 
1 1 1  -31    3   29 o   31.040   0.3180   30.690   0.4468   31.400   0.4526 -0.7109000 0.6360000 
1 1 1  -31    3   30 o   17.810   0.4238   17.890   0.5861   17.720   0.6123 0.1707000 0.8476000 
1 1 1  -31    3   31 o   15.090   0.5290   14.470   0.7681   15.710   0.7276 -1.243000 1.058000 
1 1 1  -31    3   32 o   3.8820   1.0870   5.1070   1.7440   2.6580   1.2970 2.449000 2.173000 
1 1 1  -31    3   33 o   16.290   0.5772   16.160   0.8703   16.410   0.7585 -0.2478000 1.154000 
1 1 1  -31    3   34 o   3.9750   1.2700   3.9800   1.7640   3.9700   1.8270 0.1056000E-01 2.540000 
1 1 1  -31    3   35 o   3.2170   1.1040   2.7490   1.3520   3.6860   1.7450 -0.9366000 2.208000 
1 1 1  -31    3   36 o   3.5820   1.1770   3.3080   1.5370   3.8560   1.7820 -0.5489000 2.354000 
1 1 1  -31    3   37 o   2.1760   0.7879   2.0690   1.0590   2.2830   1.1670 -0.2141000 1.576000 
1 1 1  -31    5    1 o   28.150   0.2812   28.080   0.3960   28.210   0.3994 -0.1219000 0.5624000 
1 1 1  -31    5    2 o   70.720   0.9151   71.040   1.2980   70.390   1.2900 0.6524000 1.830000 
1 1 1  -31    5    3 o   50.490   0.6839   51.150   0.9745   49.830   0.9596 1.321000 1.368000 
1 1 1  -31    5    4 o   69.440   0.9007   70.310   1.2870   68.570   1.2610 1.738000 1.801000 
1 1 1  -31    5    5 o   96.280   1.2320   96.170   1.7390   96.380   1.7450 -0.2081000 2.464000 
1 1 1  -31    5    6 o   42.110   0.5101   43.470   0.8572   40.740   0.5532 2.727000 1.020000 
1 1 1  -31    5    7 o   82.790   0.6066   82.920   0.8591   82.660   0.8566 0.2614000 1.213000 
1 1 1  -31    5    8 o   55.910   0.5153   55.810   0.7271   56.020   0.7304 -0.2085000 1.031000 
1 1 1  -31    5    9 o   93.380   0.6853   94.870   0.9840   91.900   0.9540 2.968000 1.371000 
1 1 1  -31    5   10 o   40.830   0.2891   40.980   0.4103   40.680   0.4074 0.2971000 0.5782000 
1 1 1  -31    5   11 o   67.700   0.4381   67.720   0.6203   67.690   0.6190 0.3652000E-01 0.8763000 
1 1 1  -31    5   12 o   92.740   0.5908   92.950   0.8374   92.530   0.8336 0.4202000 1.182000 
1 1 1  -31    5   13 o   25.280   0.2884   25.210   0.4007   25.350   0.4148 -0.1383000 0.5767000 
1 1 1  -31    5   14 o   48.110   0.5529   47.730   0.5539   48.480   0.9572 -0.7558000 1.106000 
1 1 1  -31    5   15 o   57.480   0.4718   57.400   0.5465   57.560   0.7694 -0.1642000 0.9437000 
1 1 1  -31    5   16 o   72.940   0.5810   73.160   0.6740   72.730   0.9466 0.4271000 1.162000 
1 1 1  -31    5   17 o   46.730   0.4122   46.700   0.4785   46.750   0.6713 -0.4321000E-01 0.8244000 
1 1 1  -31    5   18 o   27.260   0.3803   27.420   0.4390   27.110   0.6210 0.3056000 0.7606000 
1 1 1  -31    5   19 o   6.4470   1.1480   5.6300   1.6880   7.2630   1.5550 -1.633000 2.295000 
1 1 1  -31    5   20 o   22.790   0.3789   22.540   0.5363   23.050   0.5355 -0.5171000 0.7579000 
1 1 1  -31    5   21 o   12.720   0.4986   11.840   0.7334   13.600   0.6757 -1.761000 0.9972000 
1 1 1  -31    5   22 o   25.980   0.3390   26.230   0.4672   25.740   0.4914 0.4877000 0.6780000 
1 1 1  -31    5   23 f   17.050   0.3826   16.860   0.5274   17.230   0.5545 -0.3664000 0.7653000 
1 1 1  -31    5   24 o   19.080   0.3541   18.450   0.4957   19.710   0.5058 -1.257000 0.7082000 
1 1 1  -31    5   25 o   10.360   0.6973   10.160   0.9339   10.570   1.0360 -0.4051000 1.395000 
1 1 1  -31    5   26 o   3.9290   1.0650   3.4520   1.4300   4.4050   1.5780 -0.9536000 2.130000 
1 1 1  -31    5   27 o   16.170   0.4810   16.490   0.6745   15.850   0.6858 0.6388000 0.9619000 
1 1 1  -31    5   28 o   5.1190   1.1340   4.9090   1.5830   5.3290   1.6250 -0.4206000 2.268000 
1 1 1  -31    5   29 o   16.520   0.4308   16.390   0.5935   16.650   0.6247 -0.2585000 0.8617000 
1 1 1  -31    5   30 o   15.660   0.4731   15.540   0.6561   15.780   0.6818 -0.2445000 0.9462000 
1 1 1  -31    5   31 o   13.190   0.6478   12.320   0.8650   14.070   0.9646 -1.744000 1.296000 
1 1 1  -31    5   32 o   14.570   0.7046   14.670   0.8154   14.470   1.1490 0.2028000 1.409000 
1 1 1  -31    5   33 o   5.0920   1.4870   4.5390   1.8590   5.6450   2.3220 -1.105000 2.975000 
1 1 1  -31    5   34 o   3.5280   1.1710   3.2020   1.4960   3.8550   1.8020 -0.6524000 2.342000 
1 1 1  -31    5   35 o   3.3330   1.1130   3.5700   1.6480   3.0970   1.4970 0.4739000 2.227000 
1 1 1  -31    5   36 o   2.2200   0.7927   2.2670   1.1420   2.1720   1.1000 0.9503000E-01 1.585000 
1 1 1  -31    7    1 o   55.350   0.3949   54.440   0.5907   56.250   0.5243 -1.806000 0.7898000 
1 1 1  -31    7    2 o   38.140   0.3223   36.670   0.4421   39.600   0.4690 -2.933000 0.6445000 
1 1 1  -31    7    3 o   79.650   0.6162   82.340   0.7427   76.970   0.9835 5.370000 1.232000 
1 1 1  -31    7    4 o   57.040   0.3725   57.380   0.5291   56.690   0.5245 0.6859000 0.7450000 
1 1 1  -31    7    5 o   56.720   0.3712   56.940   0.5265   56.500   0.5235 0.4458000 0.7424000 
1 1 1  -31    7    6 o   55.880   0.4218   56.210   0.5995   55.550   0.5935 0.6560000 0.8436000 
1 1 1  -31    7    7 f   53.870   0.4153   54.050   0.5887   53.690   0.5858 0.3672000 0.8305000 
1 1 1  -31    7    8 o   66.280   0.4981   66.650   0.7080   65.910   0.7010 0.7388000 0.9963000 
1 1 1  -31    7    9 o   35.040   0.2770   35.120   0.3911   34.950   0.3923 0.1691000 0.5540000 
1 1 1  -31    7   10 o   86.570   0.5533   86.700   0.7837   86.440   0.7814 0.2595000 1.107000 
1 1 1  -31    7   11 o   52.990   0.3609   52.980   0.5096   53.010   0.5110 -0.3857000E-01 0.7217000 
1 1 1  -31    7   12 o   54.370   0.3710   54.470   0.5236   54.270   0.5256 0.2073000 0.7419000 
1 1 1  -31    7   13 o   32.490   0.3537   32.350   0.4952   32.640   0.5052 -0.2844000 0.7074000 
1 1 1  -31    7   14 o   68.800   0.5247   68.230   0.7365   69.370   0.7475 -1.145000 1.049000 
1 1 1  -31    7   15 o   67.730   0.4465   67.990   0.6326   67.470   0.6304 0.5145000 0.8931000 
1 1 1  -31    7   16 o   91.950   0.5906   92.070   0.8362   91.820   0.8341 0.2527000 1.181000 
1 1 1  -31    7   17 o   4.4690   1.1250   3.7910   1.5490   5.1470   1.6320 -1.355000 2.250000 
1 1 1  -31    7   18 o   51.630   0.4229   51.700   0.6003   51.550   0.5958 0.1559000 0.8458000 
1 1 1  -31    7   19 o   15.670   0.5501   16.340   0.5826   14.990   0.9333 1.353000 1.100000 
1 1 1  -31    7   20 o   35.740   0.3766   35.750   0.4338   35.730   0.6158 0.1912000E-01 0.7533000 
1 1 1  -31    7   21 o   28.510   0.3794   28.650   0.4256   28.360   0.6283 0.2846000 0.7588000 
1 1 1  -31    7   22 o   30.220   0.4803   30.520   0.4628   29.920   0.8418 0.5995000 0.9606000 
1 1 1  -31    7   23 o   6.3780   1.1040   7.6210   1.1410   5.1350   1.8900 2.487000 2.208000 
1 1 1  -31    7   24 o   3.4520   1.0520   3.7270   1.5160   3.1760   1.4610 0.5506000 2.105000 
1 1 1  -31    7   25 o   4.2950   1.0540   5.0290   1.4990   3.5620   1.4830 1.467000 2.109000 
1 1 1  -31    7   26 o   7.6150   0.8377   7.8280   1.0780   7.4020   1.2820 0.4263000 1.675000 
1 1 1  -31    7   27 o   10.500   0.7524   10.650   1.0350   10.350   1.0920 0.2981000 1.505000 
1 1 1  -31    7   28 o   3.4070   1.0800   3.4320   1.4710   3.3820   1.5810 0.5048000E-01 2.160000 
1 1 1  -31    7   29 o   7.0040   1.1600   7.8600   1.2410   6.1490   1.9600 1.711000 2.320000 
1 1 1  -31    7   30 o   14.920   0.6409   14.830   0.7244   15.000   1.0570 -0.1699000 1.282000 
1 1 1  -31    7   31 o   3.3030   1.0580   3.8010   1.6270   2.8050   1.3550 0.9962000 2.117000 
1 1 1  -31    7   32 o   9.2490   1.1030   8.4160   1.7170   10.080   1.3870 -1.667000 2.207000 
1 1 1  -31    7   33 o   3.8650   1.2120   3.9060   1.7520   3.8240   1.6740 0.8270000E-01 2.423000 
1 1 1  -31    7   34 o   9.9570   0.9649   9.5890   1.3150   10.320   1.4120 -0.7361000 1.930000 
1 1 1  -31    7   35 o   3.1600   1.0580   3.7730   1.6900   2.5480   1.2730 1.225000 2.116000 
1 1 1  -31    7   36 o   3.9110   1.2320   4.4390   1.8700   3.3830   1.6060 1.055000 2.465000 
1 1 1  -31    9    1 f   63.960   0.4197   64.030   0.5926   63.880   0.5946 0.1493000 0.8395000 
1 1 1  -31    9    2 o   32.610   0.3260   32.540   0.4613   32.690   0.4608 -0.1528000 0.6520000 
1 1 1  -31    9    3 o   20.250   0.3504   20.860   0.5018   19.640   0.4893 1.220000 0.7009000 
1 1 1  -31    9    4 o   28.690   0.3241   28.680   0.4482   28.710   0.4683 -0.3004000E-01 0.6482000 
1 1 1  -31    9    5 o   33.600   0.3304   33.510   0.4615   33.690   0.4729 -0.1806000 0.6607000 
1 1 1  -31    9    6 o   45.040   0.3758   44.760   0.5268   45.310   0.5362 -0.5485000 0.7517000 
1 1 1  -31    9    7 o   55.260   0.4042   55.120   0.5237   55.400   0.6158 -0.2777000 0.8084000 
1 1 1  -31    9    8 o  101.500   0.6982  101.000   1.0520  102.000   0.9187 -0.9988000 1.396000 
1 1 1  -31    9    9 o   75.100   0.4877   74.680   0.6853   75.530   0.6940 -0.8523000 0.9754000 
1 1 1  -31    9   10 o   38.800   0.3109   38.700   0.4364   38.890   0.4428 -0.1868000 0.6218000 
1 1 1  -31    9   11 o   12.630   0.5309   12.100   0.7359   13.160   0.7654 -1.056000 1.062000 
1 1 1  -31    9   12 o   30.860   0.3749   31.030   0.5262   30.690   0.5342 0.3402000 0.7499000 
1 1 1  -31    9   13 o   42.480   0.3890   42.300   0.5501   42.660   0.5501 -0.3602000 0.7780000 
1 1 1  -31    9   14 o   43.310   0.3556   42.820   0.5264   43.810   0.4781 -0.9982000 0.7112000 
1 1 1  -31    9   15 o   49.650   0.3596   49.560   0.5069   49.740   0.5101 -0.1826000 0.7191000 
1 1 1  -31    9   16 o   37.150   0.3723   37.420   0.5202   36.870   0.5328 0.5490000 0.7446000 
1 1 1  -31    9   17 o   25.060   0.3677   25.130   0.4723   24.990   0.5637 0.1478000 0.7355000 
1 1 1  -31    9   18 o   16.850   0.4503   16.610   0.6024   17.090   0.6694 -0.4824000 0.9006000 
1 1 1  -31    9   19 o   31.910   0.3121   32.310   0.4343   31.500   0.4483 0.8119000 0.6242000 
1 1 1  -31    9   20 o   24.830   0.3296   25.270   0.4520   24.400   0.4798 0.8642000 0.6592000 
1 1 1  -31    9   21 o   24.020   0.3567   24.300   0.4641   23.730   0.5417 0.5681000 0.7133000 
1 1 1  -31    9   22 o   15.680   0.5543   15.410   0.7098   15.960   0.8515 -0.5500000 1.109000 
1 1 1  -31    9   23 o   6.2180   1.4940   4.6800   1.6110   7.7560   2.5150 -3.075000 2.987000 
1 1 1  -31    9   24 o   31.180   0.4272   31.180   0.4272  ?   ?       ?      ? 
1 1 1  -31    9   25 o   22.410   0.4594   22.410   0.4594  ?   ?       ?      ? 
1 1 1  -31    9   26 o   33.380   0.5403   33.380   0.5403  ?   ?       ?      ? 
1 1 1  -31    9   27 o   18.810   0.6715   18.810   0.6715  ?   ?       ?      ? 
1 1 1  -31    9   28 o   8.7600   0.8525   9.7870   0.9587   7.7340   1.4100 2.052000 1.705000 
1 1 1  -31    9   29 o   9.0380   0.8352   8.6180   1.1780   9.4590   1.1840 -0.8417000 1.670000 
1 1 1  -31    9   30 o   3.4680   1.0810   2.7820   1.3320   4.1550   1.7030 -1.374000 2.162000 
1 1 1  -31    9   31 o   4.8420   1.3140   3.8280   1.7140   5.8550   1.9930 -2.027000 2.629000 
1 1 1  -31    9   32 o   11.830   0.7636   12.880   0.9748   10.780   1.1760 2.096000 1.527000 
1 1 1  -31    9   33 o   7.3440   1.2060   7.4510   1.6530   7.2380   1.7580 0.2130000 2.413000 
1 1 1  -31    9   34 o   3.6050   1.1610   3.9200   1.7240   3.2890   1.5560 0.6314000 2.322000 
1 1 1  -31    9   35 o   3.0640   1.0270   3.0780   1.4580   3.0500   1.4460 0.2811000E-01 2.054000 
1 1 1  -31   11    1 o   29.370   0.2979   28.990   0.4159   29.750   0.4267 -0.7595000 0.5958000 
1 1 1  -31   11    2 o   32.480   0.3501   32.670   0.4876   32.290   0.5024 0.3787000 0.7002000 
1 1 1  -31   11    3 o   40.720   0.3414   40.110   0.4352   41.340   0.5262 -1.231000 0.6829000 
1 1 1  -31   11    4 o   27.280   0.3261   28.140   0.4151   26.420   0.5031 1.718000 0.6523000 
1 1 1  -31   11    5 o   42.270   0.3209   41.720   0.4451   42.830   0.4623 -1.107000 0.6418000 
1 1 1  -31   11    6 o   26.810   0.3254   25.980   0.4711   27.650   0.4491 -1.671000 0.6508000 
1 1 1  -31   11    7 o   41.940   0.3252   42.180   0.4528   41.700   0.4669 0.4793000 0.6504000 
1 1 1  -31   11    8 o   13.270   0.5500   12.790   0.7414   13.760   0.8127 -0.9702000 1.100000 
1 1 1  -31   11    9 o   36.170   0.3162   35.840   0.4338   36.500   0.4600 -0.6617000 0.6323000 
1 1 1  -31   11   10 o   45.100   0.3695   44.370   0.5494   45.830   0.4942 -1.461000 0.7390000 
1 1 1  -31   11   11 o   47.490   0.4157   47.180   0.5858   47.810   0.5900 -0.6289000 0.8315000 
1 1 1  -31   11   12 o   75.870   0.5784   75.610   0.8156   76.140   0.8202 -0.5378000 1.157000 
1 1 1  -31   11   13 o   61.230   0.4843   60.690   0.6788   61.760   0.6911 -1.069000 0.9687000 
1 1 1  -31   11   14 o   23.630   0.4277   23.450   0.5868   23.800   0.6224 -0.3452000 0.8554000 
1 1 1  -31   11   15 o   7.8710   0.9789   7.3240   1.4170   8.4190   1.3510 -1.095000 1.958000 
1 1 1  -31   11   16 o   65.190   0.4401   65.940   0.6273   64.450   0.6175 1.484000 0.8802000 
1 1 1  -31   11   17 o   14.940   0.4925   14.510   0.6997   15.370   0.6932 -0.8627000 0.9849000 
1 1 1  -31   11   18 o   20.710   0.3776   20.780   0.5204   20.630   0.5474 0.1475000 0.7553000 
1 1 1  -31   11   19 o   12.890   0.6317   13.150   0.7419   12.640   1.0230 0.5128000 1.263000 
1 1 1  -31   11   20 f   14.530   0.7399   14.390   0.7508   14.660   1.2750 -0.2655000 1.480000 
1 1 1  -31   11   21 o   13.790   0.7574   13.780   0.7854   13.810   1.2950 -0.3682000E-01 1.515000 
1 1 1  -31   11   22 o   4.2030   1.0530   5.3720   1.5330   3.0340   1.4460 2.338000 2.107000 
1 1 1  -31   11   23 o   3.8600   1.0890   3.2730   1.4220   4.4470   1.6490 -1.174000 2.177000 
1 1 1  -31   11   24 o   12.980   0.5172   12.610   0.7149   13.340   0.7475 -0.7238000 1.034000 
1 1 1  -31   11   25 o   19.770   0.3825   19.380   0.5312   20.160   0.5504 -0.7791000 0.7650000 
1 1 1  -31   11   26 o   18.150   0.4832   18.520   0.6621   17.780   0.7040 0.7325000 0.9664000 
1 1 1  -31   11   27 o   4.7100   1.2830   3.2020   1.4560   6.2170   2.1120 -3.015000 2.565000 
1 1 1  -31   11   28 o   12.110   0.8458   12.650   0.8072   11.570   1.4860 1.077000 1.692000 
1 1 1  -31   11   29 o   5.8660   1.3620   4.1100   1.6620   7.6210   2.1580 -3.511000 2.724000 
1 1 1  -31   11   30 o   10.450   1.2290   13.120   1.1390   7.7870   2.1790 5.333000 2.459000 
1 1 1  -31   11   31 o   3.4010   1.1020   3.6020   1.5970   3.1990   1.5180 0.4035000 2.203000 
1 1 1  -31   11   32 o   8.2990   1.1020   9.3540   1.3250   7.2440   1.7620 2.110000 2.204000 
1 1 1  -31   11   33 o   6.0700   1.3130   5.6630   1.8620   6.4780   1.8510 -0.8153000 2.626000 
1 1 1  -31   11   34 o   2.6650   0.9351   2.5600   1.2790   2.7710   1.3650 -0.2105000 1.870000 
1 1 1  -31   11   35 o   3.0540   1.0470   3.5010   1.6410   2.6070   1.3000 0.8936000 2.093000 
1 1 1  -31   13    1 o   21.000   0.4453   20.710   0.6172   21.300   0.6420 -0.5922000 0.8905000 
1 1 1  -31   13    2 o   51.000   0.3647   50.930   0.5138   51.080   0.5177 -0.1539000 0.7294000 
1 1 1  -31   13    3 o   55.390   0.3849   55.260   0.5413   55.520   0.5472 -0.2548000 0.7697000 
1 1 1  -31   13    4 o   56.880   0.4267   57.010   0.5542   56.750   0.6489 0.2586000 0.8533000 
1 1 1  -31   13    5 o   27.000   0.3389   27.130   0.4611   26.870   0.4968 0.2592000 0.6778000 
1 1 1  -31   13    6 o   49.200   0.3606   49.530   0.5065   48.870   0.5133 0.6596000 0.7211000 
1 1 1  -31   13    7 o   15.170   0.7404   15.720   0.9525   14.630   1.1340 1.090000 1.481000 
1 1 1  -31   13    8 o   23.790   0.5339   23.100   0.7304   24.480   0.7789 -1.380000 1.068000 
1 1 1  -31   13    9 o   93.870   0.8599   93.130   1.2050   94.600   1.2270 -1.461000 1.720000 
1 1 1  -31   13   10 o   24.620   0.4943   25.970   0.5543   23.270   0.8186 2.706000 0.9886000 
1 1 1  -31   13   11 o   19.070   0.4505   19.270   0.6074   18.880   0.6656 0.3920000 0.9010000 
1 1 1  -31   13   12 o   23.360   0.3879   23.530   0.5313   23.180   0.5652 0.3451000 0.7757000 
1 1 1  -31   13   13 o   13.930   0.6607   13.410   0.8035   14.450   1.0490 -1.044000 1.321000 
1 1 1  -31   13   14 o   24.810   0.4388   25.010   0.5062   24.620   0.7169 0.3938000 0.8776000 
1 1 1  -31   13   15 o   51.330   0.4562   51.820   0.5299   50.840   0.7428 0.9773000 0.9124000 
1 1 1  -31   13   16 o   10.770   0.8175   10.670   0.9405   10.860   1.3370 -0.1890000 1.635000 
1 1 1  -31   13   17 o   14.700   0.5825   14.770   0.6773   14.630   0.9479 0.1342000 1.165000 
1 1 1  -31   13   18 o   16.210   0.5660   15.580   0.7271   16.840   0.8677 -1.264000 1.132000 
1 1 1  -31   13   19 o   16.410   0.5102   15.630   0.7152   17.190   0.7278 -1.552000 1.020000 
1 1 1  -31   13   20 o   19.010   0.4331   19.740   0.5673   18.290   0.6546 1.448000 0.8663000 
1 1 1  -31   13   21 o   33.180   0.3222   33.000   0.4529   33.360   0.4584 -0.3605000 0.6444000 
1 1 1  -31   13   22 o   25.630   0.3344   25.260   0.4651   25.990   0.4805 -0.7253000 0.6688000 
1 1 1  -31   13   23 o   3.3870   1.0430   3.0410   1.3800   3.7330   1.5650 -0.6925000 2.087000 
1 1 1  -31   13   24 o   16.070   0.4580   15.830   0.6264   16.300   0.6682 -0.4685000 0.9159000 
1 1 1  -31   13   25 o   26.130   0.4031   26.190   0.5718   26.070   0.5685 0.1205000 0.8063000 
1 1 1  -31   13   26 o   14.100   0.6561   13.800   0.9690   14.400   0.8847 -0.5989000 1.312000 
1 1 1  -31   13   27 o   6.0390   1.1700   4.9890   1.6990   7.0880   1.6110 -2.099000 2.341000 
1 1 1  -31   13   28 o   4.5800   1.2400   4.5130   1.7170   4.6460   1.7890 -0.1323000 2.480000 
1 1 1  -31   13   29 o   3.8510   1.2250   3.6540   1.6870   4.0480   1.7770 -0.3945000 2.450000 
1 1 1  -31   13   30 o   3.6910   1.1550   3.9920   1.6960   3.3900   1.5690 0.6017000 2.311000 
1 1 1  -31   13   31 o   4.1030   1.3000   3.4540   1.5760   4.7510   2.0680 -1.297000 2.600000 
1 1 1  -31   13   32 o   4.2920   1.3080   4.2690   1.7650   4.3150   1.9310 -0.4605000E-01 2.616000 
1 1 1  -31   13   33 o   3.8010   1.2630   3.5600   1.6420   4.0410   1.9190 -0.4811000 2.526000 
1 1 1  -31   13   34 o   2.4720   0.8915   2.6800   1.3530   2.2640   1.1620 0.4155000 1.783000 
1 1 1  -31   15    1 o   25.280   0.3593   24.970   0.5015   25.590   0.5148 -0.6180000 0.7187000 
1 1 1  -31   15    2 o   28.020   0.3419   27.770   0.4785   28.270   0.4886 -0.4998000 0.6839000 
1 1 1  -31   15    3 o   21.970   0.4370   22.640   0.6580   21.300   0.5753 1.337000 0.8741000 
1 1 1  -31   15    4 o   49.920   0.3667   50.380   0.5186   49.470   0.5184 0.9092000 0.7333000 
1 1 1  -31   15    5 o   27.880   0.3495   28.380   0.4745   27.380   0.5133 1.005000 0.6990000 
1 1 1  -31   15    6 o   39.220   0.3674   39.590   0.4692   38.860   0.5654 0.7273000 0.7348000 
1 1 1  -31   15    7 o   30.300   0.4345   29.380   0.4713   31.220   0.7301 -1.850000 0.8691000 
1 1 1  -31   15    8 o   24.990   0.4621   24.470   0.5060   25.510   0.7733 -1.039000 0.9241000 
1 1 1  -31   15    9 o   61.380   0.5190   62.040   0.5969   60.710   0.8493 1.324000 1.038000 
1 1 1  -31   15   10 o   19.200   0.5291   18.560   0.6034   19.840   0.8693 -1.280000 1.058000 
1 1 1  -31   15   11 o   26.040   0.4360   25.980   0.4838   26.100   0.7254 -0.1118000 0.8720000 
1 1 1  -31   15   12 o   38.610   0.3829   38.680   0.5340   38.550   0.5489 0.1238000 0.7658000 
1 1 1  -31   15   13 o   8.7000   0.9189   8.5500   1.2940   8.8500   1.3050 -0.3006000 1.838000 
1 1 1  -31   15   14 o   29.880   0.3384   29.980   0.4774   29.780   0.4798 0.2018000 0.6768000 
1 1 1  -31   15   15 o   14.880   0.6048   14.850   0.8446   14.910   0.8658 -0.5610000E-01 1.210000 
1 1 1  -31   15   16 o   17.760   0.5014   17.600   0.6894   17.920   0.7284 -0.3151000 1.003000 
1 1 1  -31   15   17 o   13.540   0.5427   13.730   0.7484   13.360   0.7862 0.3696000 1.085000 
1 1 1  -31   15   18 o   26.550   0.3393   26.370   0.4752   26.740   0.4845 -0.3704000 0.6786000 
1 1 1  -31   15   19 f   8.1700   0.9616   7.1370   1.4280   9.2030   1.2880 -2.066000 1.923000 
1 1 1  -31   15   20 o   7.4360   0.9735   6.9000   1.4020   7.9720   1.3510 -1.072000 1.947000 
1 1 1  -31   15   21 f   15.030   0.4969   15.160   0.6738   14.910   0.7307 0.2449000 0.9939000 
1 1 1  -31   15   22 o   17.320   0.4386   16.260   0.6298   18.370   0.6105 -2.110000 0.8772000 
1 1 1  -31   15   23 o   20.370   0.4013   20.030   0.5589   20.710   0.5758 -0.6807000 0.8025000 
1 1 1  -31   15   24 o   12.170   0.7556   11.740   1.1060   12.590   1.0300 -0.8552000 1.511000 
1 1 1  -31   15   25 o   6.7380   1.3000   7.4100   1.7570   6.0660   1.9160 1.344000 2.600000 
1 1 1  -31   15   26 o   21.220   0.4233   21.280   0.5746   21.160   0.6216 0.1162000 0.8465000 
1 1 1  -31   15   27 o   3.9890   1.2290   3.1470   1.5020   4.8310   1.9460 -1.684000 2.458000 
1 1 1  -31   15   28 o   5.0330   1.2270   6.4470   1.7790   3.6190   1.6890 2.828000 2.453000 
1 1 1  -31   15   29 o   5.4720   1.1390   3.1770   1.5330   7.7670   1.6840 -4.591000 2.277000 
1 1 1  -31   15   30 o   6.4980   1.2910   6.7170   1.7780   6.2790   1.8720 0.4387000 2.582000 
1 1 1  -31   15   31 o   5.3090   1.2320   6.8610   1.7840   3.7560   1.7010 3.105000 2.465000 
1 1 1  -31   15   32 o   2.7650   0.9676   2.5820   1.2920   2.9480   1.4410 -0.3666000 1.935000 
1 1 1  -31   15   33 o   2.5720   0.9098   2.2300   1.1340   2.9140   1.4230 -0.6845000 1.820000 
1 1 1  -31   17    1 o   24.690   0.4735   24.640   0.5002   24.750   0.8041 -0.1054000 0.9470000 
1 1 1  -31   17    2 o   6.3420   1.2960   4.1210   1.6590   8.5620   1.9910 -4.441000 2.592000 
1 1 1  -31   17    3 o   17.150   0.5998   16.050   0.6786   18.260   0.9893 -2.208000 1.200000 
1 1 1  -31   17    4 o   22.880   0.4817   22.580   0.5183   23.170   0.8120 -0.5943000 0.9633000 
1 1 1  -31   17    5 o   26.700   0.3956   27.070   0.4782   26.330   0.6303 0.7442000 0.7912000 
1 1 1  -31   17    6 o   9.2670   0.8631   8.5930   1.2280   9.9400   1.2140 -1.347000 1.726000 
1 1 1  -31   17    7 o   39.520   0.3369   39.430   0.4655   39.610   0.4872 -0.1801000 0.6739000 
1 1 1  -31   17    8 o   25.790   0.3608   26.410   0.4840   25.180   0.5353 1.224000 0.7217000 
1 1 1  -31   17    9 o   33.100   0.3327   33.450   0.4574   32.760   0.4833 0.6958000 0.6654000 
1 1 1  -31   17   10 o   17.310   0.4722   17.210   0.6374   17.420   0.6968 -0.2081000 0.9443000 
1 1 1  -31   17   11 o   14.180   0.6355   12.420   0.9405   15.940   0.8551 -3.524000 1.271000 
1 1 1  -31   17   12 o   7.8460   1.1200   9.3500   1.2420   6.3420   1.8640 3.007000 2.240000 
1 1 1  -31   17   13 o   26.870   0.3914   26.820   0.5272   26.920   0.5786 -0.1002000 0.7828000 
1 1 1  -31   17   14 o   11.230   0.6810   11.500   0.9374   10.950   0.9882 0.5458000 1.362000 
1 1 1  -31   17   15 o   6.6930   1.1240   6.8840   1.5620   6.5010   1.6180 0.3831000 2.249000 
1 1 1  -31   17   16 o   16.150   0.4790   15.340   0.6928   16.970   0.6617 -1.638000 0.9580000 
1 1 1  -31   17   17 o   9.3370   0.8851   7.9610   1.3980   10.710   1.0860 -2.751000 1.770000 
1 1 1  -31   17   18 o   9.1780   0.8898   9.9740   1.0620   8.3830   1.4280 1.590000 1.780000 
1 1 1  -31   17   19 o   15.010   0.5160   14.800   0.7147   15.210   0.7443 -0.4078000 1.032000 
1 1 1  -31   17   20 o   7.9760   0.9635   7.0310   1.4580   8.9220   1.2600 -1.891000 1.927000 
1 1 1  -31   17   21 o   13.540   0.5723   14.050   0.7609   13.030   0.8551 1.023000 1.145000 
1 1 1  -31   17   22 o   14.890   0.5243   14.600   0.7248   15.190   0.7578 -0.5891000 1.049000 
1 1 1  -31   17   23 o   21.980   0.4766   22.000   0.6671   21.950   0.6808 0.5032000E-01 0.9532000 
1 1 1  -31   17   24 o   14.800   0.6583   14.340   0.9652   15.270   0.8955 -0.9317000 1.317000 
1 1 1  -31   17   25 o   3.7040   1.1880   3.3300   1.5660   4.0770   1.7870 -0.7470000 2.376000 
1 1 1  -31   17   26 o   9.1490   1.1620   9.6520   1.5200   8.6450   1.7570 1.007000 2.324000 
1 1 1  -31   17   27 o   13.020   0.6898   13.400   0.9037   12.630   1.0430 0.7737000 1.380000 
1 1 1  -31   17   28 o   8.7140   1.0930   9.4600   1.3990   7.9670   1.6810 1.493000 2.186000 
1 1 1  -31   17   29 o   8.6510   1.1020   8.4790   1.5360   8.8230   1.5810 -0.3439000 2.204000 
1 1 1  -31   17   30 o   3.0270   1.0220   3.2950   1.5360   2.7590   1.3480 0.5355000 2.044000 
1 1 1  -31   17   31 o   5.2040   1.2420   7.1390   1.9340   3.2680   1.5600 3.871000 2.484000 
1 1 1  -31   17   32 o   2.6790   0.9461   2.6220   1.3020   2.7370   1.3730 -0.1144000 1.892000 
1 1 1  -31   19    1 o   15.530   0.5608   15.450   0.7649   15.620   0.8203 -0.1774000 1.122000 
1 1 1  -31   19    2 o   5.0570   1.2820   5.1470   1.7860   4.9680   1.8390 0.1793000 2.563000 
1 1 1  -31   19    3 o   10.500   0.8409   11.730   1.0020   9.2640   1.3510 2.469000 1.682000 
1 1 1  -31   19    4 o   17.170   0.5010   16.910   0.7057   17.430   0.7113 -0.5163000 1.002000 
1 1 1  -31   19    5 o   14.500   0.6071   13.790   0.8310   15.200   0.8853 -1.406000 1.214000 
1 1 1  -31   19    6 o   6.2720   1.2680   6.6240   1.6760   5.9210   1.9030 0.7036000 2.536000 
1 1 1  -31   19    7 o   21.930   0.3900   22.310   0.5281   21.540   0.5739 0.7744000 0.7799000 
1 1 1  -31   19    8 o   7.7410   1.0220   9.0640   1.1530   6.4180   1.6880 2.645000 2.044000 
1 1 1  -31   19    9 o   15.530   0.5032   15.040   0.7000   16.010   0.7230 -0.9782000 1.006000 
1 1 1  -31   19   10 o   15.360   0.5110   15.630   0.6852   15.090   0.7582 0.5362000 1.022000 
1 1 1  -31   19   11 o   8.4210   0.9403   9.4360   1.0910   7.4060   1.5320 2.030000 1.881000 
1 1 1  -31   19   12 o   7.3930   1.0380   8.2370   1.2380   6.5490   1.6660 1.688000 2.076000 
1 1 1  -31   19   13 o   11.130   0.6850   10.950   0.9287   11.320   1.0070 -0.3702000 1.370000 
1 1 1  -31   19   14 o   13.260   0.6397   13.510   0.8444   13.020   0.9613 0.4942000 1.279000 
1 1 1  -31   19   15 o   15.250   0.5573   14.770   0.7792   15.730   0.7970 -0.9546000 1.115000 
1 1 1  -31   19   16 o   25.850   0.3806   25.970   0.5537   25.720   0.5222 0.2522000 0.7611000 
1 1 1  -31   19   17 o   24.110   0.3844   24.420   0.5360   23.790   0.5512 0.6340000 0.7688000 
1 1 1  -31   19   18 o   11.500   0.6871   10.990   0.9793   12.000   0.9640 -1.010000 1.374000 
1 1 1  -31   19   19 o   3.4020   1.0490   4.2550   1.6660   2.5480   1.2750 1.707000 2.098000 
1 1 1  -31   19   20 o   3.6740   1.1300   3.6620   1.5810   3.6870   1.6160 -0.2470000E-01 2.261000 
1 1 1  -31   19   21 o   18.190   0.5534   18.450   0.7465   17.940   0.8173 0.5022000 1.107000 
1 1 1  -31   19   22 o   12.140   0.8361   11.670   1.2140   12.610   1.1500 -0.9403000 1.672000 
1 1 1  -31   19   23 o   7.1980   1.3450   8.3990   1.7600   5.9970   2.0350 2.402000 2.691000 
1 1 1  -31   19   24 o   3.9790   1.2560   3.7070   1.6980   4.2510   1.8510 -0.5436000 2.512000 
1 1 1  -31   19   25 o   6.5880   1.1870   8.3430   1.4520   4.8330   1.8770 3.510000 2.373000 
1 1 1  -31   19   26 o   10.010   0.9104   9.4490   1.3300   10.570   1.2440 -1.122000 1.821000 
1 1 1  -31   19   27 o   3.5730   1.1430   3.6170   1.6280   3.5280   1.6060 0.8870000E-01 2.287000 
1 1 1  -31   19   28 o   9.3930   0.9820   9.7840   1.3440   9.0030   1.4320 0.7806000 1.964000 
1 1 1  -31   19   29 o   2.9420   1.0190   2.9130   1.4320   2.9710   1.4490 -0.5726000E-01 2.037000 
1 1 1  -31   19   30 o   4.9460   1.2800   5.3970   1.8180   4.4960   1.8030 0.9015000 2.560000 
1 1 1  -31   21    1 o   8.3510   0.9303   7.9050   1.3790   8.7970   1.2490 -0.8926000 1.861000 
1 1 1  -31   21    2 o   12.110   0.6156   11.690   0.8931   12.530   0.8474 -0.8412000 1.231000 
1 1 1  -31   21    3 o   28.230   0.3384   27.850   0.4779   28.610   0.4793 -0.7579000 0.6768000 
1 1 1  -31   21    4 o   16.760   0.4613   17.540   0.6260   15.970   0.6777 1.572000 0.9225000 
1 1 1  -31   21    5 f   18.980   0.4331   19.840   0.5639   18.110   0.6574 1.737000 0.8661000 
1 1 1  -31   21    6 o   11.670   0.6554   10.680   0.9651   12.650   0.8871 -1.968000 1.311000 
1 1 1  -31   21    7 o   10.220   0.7444   10.310   0.9920   10.120   1.1100 0.1927000 1.489000 
1 1 1  -31   21    8 o   14.630   0.5395   14.920   0.7164   14.350   0.8069 0.5690000 1.079000 
1 1 1  -31   21    9 o   11.210   0.6960   10.890   0.9520   11.540   1.0150 -0.6469000 1.392000 
1 1 1  -31   21   10 o   14.250   0.6439   14.320   0.8683   14.190   0.9509 0.1365000 1.288000 
1 1 1  -31   21   11 o   6.5980   1.2740   6.6690   1.7430   6.5270   1.8570 0.1415000 2.547000 
1 1 1  -31   21   12 o   14.350   0.6278   14.800   0.8188   13.910   0.9518 0.8894000 1.256000 
1 1 1  -31   21   13 o   4.0380   1.1410   3.1290   1.4250   4.9460   1.7820 -1.817000 2.282000 
1 1 1  -31   21   14 o   20.810   0.4190   20.700   0.5501   20.930   0.6322 -0.2265000 0.8380000 
1 1 1  -31   21   15 o   23.100   0.3881   22.810   0.5227   23.390   0.5740 -0.5840000 0.7763000 
1 1 1  -31   21   16 o   14.940   0.5491   14.940   0.7315   14.940   0.8190 -0.4354000E-02 1.098000 
1 1 1  -31   21   17 o   21.570   0.4222   21.440   0.5764   21.700   0.6169 -0.2599000 0.8443000 
1 1 1  -31   21   18 o   6.6150   1.2030   5.7070   1.7800   7.5240   1.6190 -1.817000 2.407000 
1 1 1  -31   21   19 o   15.010   0.6792   14.650   0.9924   15.370   0.9274 -0.7212000 1.358000 
1 1 1  -31   21   20 o   4.1350   1.3380   3.4850   1.7120   4.7860   2.0570 -1.301000 2.676000 
1 1 1  -31   21   21 o   4.2620   1.3140   4.4230   1.8930   4.1000   1.8210 0.3233000 2.627000 
1 1 1  -31   21   22 o   4.6950   1.2660   3.8990   1.6660   5.4920   1.9080 -1.593000 2.532000 
1 1 1  -31   21   23 o   3.8380   1.1860   3.3290   1.5330   4.3460   1.8100 -1.018000 2.372000 
1 1 1  -31   21   24 o   5.3500   1.3190   5.4590   1.8600   5.2400   1.8710 0.2194000 2.638000 
1 1 1  -31   21   25 o   3.6370   1.1490   4.0380   1.7240   3.2360   1.5190 0.8022000 2.298000 
1 1 1  -31   21   26 o   4.6370   1.2520   5.6930   1.9110   3.5820   1.6180 2.111000 2.504000 
1 1 1  -31   21   27 o   3.1260   1.0640   3.2340   1.5420   3.0190   1.4660 0.2157000 2.127000 
1 1 1  -31   21   28 o   2.5440   0.8903   2.9990   1.4300   2.0900   1.0610 0.9091000 1.781000 
1 1 1  -31   21   29 o   2.1540   0.7880   2.0020   1.0330   2.3070   1.1900 -0.3052000 1.576000 
1 1 1  -31   23    1 o   15.970   0.5027   16.110   0.6910   15.840   0.7304 0.2650000 1.005000 
1 1 1  -31   23    2 o   16.460   0.4905   16.580   0.6807   16.340   0.7064 0.2392000 0.9810000 
1 1 1  -31   23    3 o   9.1110   0.8559   8.9750   1.2190   9.2470   1.2010 -0.2722000 1.712000 
1 1 1  -31   23    4 o   7.1440   1.1310   5.4190   1.8950   8.8680   1.2340 -3.449000 2.261000 
1 1 1  -31   23    5 o   10.420   0.7683   10.280   1.0580   10.560   1.1140 -0.2792000 1.537000 
1 1 1  -31   23    6 o   19.130   0.4393   19.290   0.5909   18.970   0.6503 0.3171000 0.8787000 
1 1 1  -31   23    7 o   12.380   0.6654   13.570   0.7893   11.180   1.0710 2.386000 1.331000 
1 1 1  -31   23    8 o   13.170   0.6104   12.430   0.8571   13.900   0.8693 -1.474000 1.221000 
1 1 1  -31   23    9 o   9.9990   0.8099   9.5170   1.1260   10.480   1.1640 -0.9634000 1.620000 
1 1 1  -31   23   10 o   6.4950   1.2040   5.9800   1.6900   7.0090   1.7140 -1.029000 2.407000 
1 1 1  -31   23   11 o   15.770   0.5360   15.270   0.7567   16.260   0.7593 -0.9868000 1.072000 
1 1 1  -31   23   12 o   6.2270   1.2250   5.2620   1.7800   7.1930   1.6840 -1.931000 2.450000 
1 1 1  -31   23   13 o   18.120   0.4907   19.170   0.6363   17.070   0.7473 2.103000 0.9815000 
1 1 1  -31   23   14 o   19.390   0.4590   19.880   0.6025   18.900   0.6925 0.9812000 0.9179000 
1 1 1  -31   23   15 o   5.0780   1.1120   6.8340   1.6020   3.3230   1.5440 3.512000 2.224000 
1 1 1  -31   23   16 o   6.7920   1.3910   7.5030   1.8780   6.0820   2.0530 1.421000 2.783000 
1 1 1  -31   23   17 o   4.4820   1.3960   3.9150   1.8240   5.0500   2.1130 -1.135000 2.791000 
1 1 1  -31   23   18 o   10.850   1.2640   10.140   1.8870   11.570   1.6810 -1.425000 2.527000 
1 1 1  -31   23   19 o   11.890   0.7642   11.760   1.0370   12.030   1.1230 -0.2789000 1.528000 
1 1 1  -31   23   20 o   9.2830   0.9925   9.2230   1.3580   9.3430   1.4480 -0.1207000 1.985000 
1 1 1  -31   23   21 o   10.420   0.8941   10.280   1.2310   10.550   1.2970 -0.2636000 1.788000 
1 1 1  -31   23   22 f   4.6230   1.1990   6.0300   1.8460   3.2150   1.5310 2.815000 2.398000 
1 1 1  -31   23   23 o   5.2700   1.3350   5.6680   1.9010   4.8710   1.8740 0.7975000 2.669000 
1 1 1  -31   23   24 o   3.1380   1.0690   3.4750   1.6290   2.8000   1.3860 0.6752000 2.139000 
1 1 1  -31   23   25 o   2.8730   0.9968   3.0080   1.4590   2.7390   1.3580 0.2689000 1.994000 
1 1 1  -31   23   26 o   2.5680   0.8978   2.6510   1.3020   2.4850   1.2370 0.1662000 1.796000 
1 1 1  -31   23   27 o   2.4700   0.8931   2.2250   1.1450   2.7140   1.3710 -0.4889000 1.786000 
1 1 1  -31   25    1 o   9.6660   0.8717   8.8760   1.3110   10.450   1.1490 -1.579000 1.743000 
1 1 1  -31   25    2 o   7.0700   1.1540   6.0950   1.7640   8.0450   1.4890 -1.950000 2.308000 
1 1 1  -31   25    3 o   5.2390   1.2640   5.5130   1.7790   4.9640   1.7970 0.5497000 2.528000 
1 1 1  -31   25    4 f   26.360   0.3742   26.210   0.5314   26.510   0.5270 -0.2952000 0.7484000 
1 1 1  -31   25    5 o   6.1570   1.2560   6.2770   1.7280   6.0380   1.8220 0.2387000 2.511000 
1 1 1  -31   25    6 o   5.5250   1.2550   6.1350   1.7300   4.9150   1.8190 1.219000 2.510000 
1 1 1  -31   25    7 o   5.4350   1.2790   5.6910   1.7740   5.1800   1.8440 0.5105000 2.559000 
1 1 1  -31   25    8 f   8.2090   1.0320   7.8720   1.4720   8.5460   1.4470 -0.6737000 2.064000 
1 1 1  -31   25    9 o   9.0530   0.9585   8.4170   1.4080   9.6900   1.3010 -1.272000 1.917000 
1 1 1  -31   25   10 o   15.450   0.6695   16.290   0.8972   14.600   0.9941 1.687000 1.339000 
1 1 1  -31   25   11 o   10.550   0.9790   11.010   1.2860   10.100   1.4760 0.9170000 1.958000 
1 1 1  -31   25   12 o   9.9960   1.0700   10.790   1.3580   9.2040   1.6540 1.584000 2.140000 
1 1 1  -31   25   13 o   4.3420   1.3030   5.8260   2.1790   2.8580   1.4320 2.968000 2.607000 
1 1 1  -31   25   14 f   6.5320   1.2000   3.8840   1.7220   9.1800   1.6720 -5.296000 2.400000 
1 1 1  -31   25   15 o   6.2610   1.2420   8.2910   1.6750   4.2310   1.8330 4.060000 2.483000 
1 1 1  -31   25   16 o   6.8440   1.1090   9.2660   1.2820   4.4230   1.8090 4.843000 2.218000 
1 1 1  -31   25   17 o   3.2650   1.0700   2.4600   1.2230   4.0700   1.7560 -1.609000 2.140000 
1 1 1  -31   25   18 o   3.5330   1.1290   3.9130   1.6840   3.1520   1.5020 0.7610000 2.257000 
1 1 1  -31   25   19 o   4.6030   1.1840   6.1030   1.8440   3.1030   1.4870 3.000000 2.369000 
1 1 1  -31   25   20 o   5.9350   1.3480   5.9170   1.8800   5.9520   1.9320 -0.3548000E-01 2.696000 
1 1 1  -31   25   21 o   4.1420   1.2820   4.2660   1.8310   4.0180   1.7960 0.2473000 2.565000 
1 1 1  -31   25   22 o   4.2770   1.3020   4.0520   1.7890   4.5030   1.8930 -0.4510000 2.605000 
1 1 1  -31   25   23 o   3.0490   1.0250   2.9190   1.4000   3.1780   1.4970 -0.2598000 2.050000 
1 1 1  -31   25   24 o   2.7340   0.9429   2.8750   1.3830   2.5940   1.2830 0.2811000 1.886000 
1 1 1  -31   27    1 o   8.1070   1.2740   9.6680   1.5220   6.5460   2.0440 3.123000 2.549000 
1 1 1  -31   27    2 o   3.1310   1.0700   3.1090   1.4990   3.1530   1.5280 -0.4435000E-01 2.140000 
1 1 1  -31   27    3 o   7.4680   1.3190   6.6160   1.9410   8.3200   1.7870 -1.704000 2.638000 
1 1 1  -31   27    4 o   4.4110   1.3060   4.7810   1.8970   4.0410   1.7970 0.7398000 2.612000 
1 1 1  -31   27    5 f   5.4770   1.3590   6.3110   1.9360   4.6430   1.9070 1.668000 2.718000 
1 1 1  -31   27    6 o   6.6060   1.3760   6.1800   1.9290   7.0330   1.9630 -0.8537000 2.752000 
1 1 1  -31   27    7 o   6.2100   1.3890   5.5830   1.9370   6.8380   1.9910 -1.255000 2.778000 
1 1 1  -31   27    8 o   7.7240   1.2840   7.0250   1.8640   8.4230   1.7670 -1.398000 2.568000 
1 1 1  -31   27    9 f   9.7240   1.0510   9.0910   1.5380   10.360   1.4320 -1.266000 2.101000 
1 1 1  -31   27   10 f   6.5550   1.2200   7.8030   1.5650   5.3070   1.8720 2.496000 2.440000 
1 1 1  -31   27   11 o   7.5820   1.1710   8.1910   1.5220   6.9740   1.7810 1.217000 2.342000 
1 1 1  -31   27   12 o   12.670   0.7043   12.690   0.9803   12.660   1.0110 0.3431000E-01 1.409000 
1 1 1  -31   27   13 o   10.490   0.9130   11.610   1.0880   9.3730   1.4660 2.234000 1.826000 
1 1 1  -31   27   14 o   8.9080   1.0720   6.9980   1.7370   10.820   1.2570 -3.819000 2.144000 
1 1 1  -31   27   15 o   8.6270   1.0710   8.0530   1.5460   9.2000   1.4820 -1.147000 2.142000 
1 1 1  -31   27   16 o   3.4010   1.1090   3.4540   1.5730   3.3480   1.5650 0.1057000 2.219000 
1 1 1  -31   27   17 o   4.3070   1.2860   4.8660   1.9080   3.7480   1.7260 1.117000 2.573000 
1 1 1  -31   27   18 o   4.4480   1.3190   4.1870   1.7990   4.7090   1.9280 -0.5218000 2.637000 
1 1 1  -31   27   19 o   3.2850   1.5590   3.2850   1.5590  ?   ?       ?      ? 
1 1 1  -31   27   20 o   2.4870   0.8749   2.5260   1.2520   2.4480   1.2230 0.7776000E-01 1.750000 
1 1 1  -31   27   21 o   3.3690   1.0560   4.3810   1.7530   2.3560   1.1790 2.025000 2.113000 
1 1 1  -31   27   22 o   1.9980   1.0390  ?   ?    1.9980   1.0390      ?      ? 
1 1 1  -31   29    1 o   3.9530   1.2140   4.0720   1.7250   3.8330   1.7090 0.2393000 2.428000 
1 1 1  -31   29    2 o   3.0310   1.0250   3.1190   1.4730   2.9430   1.4270 0.1759000 2.051000 
1 1 1  -31   29    3 o   5.4270   1.2550   6.7030   1.7810   4.1500   1.7700 2.553000 2.510000 
1 1 1  -31   29    4 o   5.3170   1.3110   5.8830   1.8520   4.7510   1.8560 1.132000 2.622000 
1 1 1  -31   29    5 o   5.2840   1.2800   4.1210   1.7340   6.4460   1.8850 -2.325000 2.561000 
1 1 1  -31   29    6 o   3.4210   1.1130   3.1740   1.4920   3.6670   1.6520 -0.4927000 2.226000 
1 1 1  -31   29    7 o   4.9540   1.3170   5.3350   1.8760   4.5720   1.8480 0.7633000 2.633000 
1 1 1  -31   29    8 o   4.3360   1.2500   3.5100   1.5960   5.1610   1.9250 -1.651000 2.500000 
1 1 1  -31   29    9 o   3.1770   1.0620   3.1000   1.4650   3.2540   1.5370 -0.1539000 2.123000 
1 1 1  -31   29   10 o   5.5210   1.3390   5.7120   1.8580   5.3300   1.9270 0.3821000 2.677000 
1 1 1  -31   29   11 o   3.0680   1.0470   3.0830   1.4810   3.0530   1.4810 0.2990000E-01 2.094000 
1 1 1  -31   29   12 o   3.8830   1.2180   4.3890   1.8450   3.3770   1.5910 1.012000 2.436000 
1 1 1  -31   29   13 o   3.7500   1.1660   4.7620   1.8960   2.7370   1.3580 2.025000 2.332000 
1 1 1  -31   29   14 o   2.7480   0.9588   2.9350   1.4270   2.5610   1.2810 0.3742000 1.918000 
1 1 1  -31   29   15 o   3.8080   1.1710   3.4750   1.5770   4.1410   1.7320 -0.6660000 2.342000 
1 1 1  -31   29   16 o   4.0500   1.1850   4.8560   1.7990   3.2450   1.5430 1.612000 2.370000 
1 1 1  -31   29   17 o   3.2470   1.0630   2.9600   1.4070   3.5340   1.5940 -0.5735000 2.126000 
1 1 1  -31   29   18 o   2.8620   0.9890   2.7770   1.3670   2.9460   1.4300 -0.1694000 1.978000 
1 1 1  -31   31    1 o   3.7220   1.1380   2.6240   1.2950   4.8190   1.8710 -2.194000 2.276000 
1 1 1  -31   31    2 o   2.7150   0.9410   2.3090   1.1620   3.1200   1.4800 -0.8111000 1.882000 
1 1 1  -31   31    3 o   2.5670   0.8993   2.6250   1.2940   2.5090   1.2490 0.1161000 1.799000 
1 1 1  -31   31    4 o   2.7590   0.9613   2.3980   1.1990   3.1190   1.5030 -0.7217000 1.923000 
1 1 1  -31   31    5 o   3.7920   1.1730   4.0260   1.7130   3.5580   1.6020 0.4681000 2.345000 
1 1 1  -31   31    6 o   7.5710   1.1420   5.8610   1.8350   9.2810   1.3590 -3.420000 2.284000 
1 1 1  -31   31    7 o   4.4440   1.2090   5.4660   1.8400   3.4210   1.5680 2.044000 2.417000 
1 1 1  -31   31    8 o   2.9460   0.9936   2.6170   1.2860   3.2750   1.5150 -0.6580000 1.987000 
1 1 1  -31   31    9 o   2.5370   0.8876   2.3140   1.1600   2.7610   1.3430 -0.4470000 1.775000 
1 1 1  -31   31   10 o   2.5340   0.8859   2.7000   1.3180   2.3680   1.1840 0.3327000 1.772000 
1 1 1  -31   31   11 o   7.1100   1.1360   9.1890   1.3480   5.0310   1.8290 4.158000 2.272000 
1 1 1  -31   31   12 o   4.7920   1.2180   5.8860   1.8070   3.6990   1.6340 2.188000 2.437000 
1 1 1  -30    0    1 o   55.630   0.7193   55.630   0.7193   55.630   0.7193 -0.000000 0.000000 
1 1 1  -30    0    2 o   51.960   0.6768   51.960   0.6768   51.960   0.6768 0.000000 0.000000 
1 1 1  -30    0    3 f   8.7400   1.0600   8.7400   1.0600   8.7400   1.0600 -0.000000 0.000000 
1 1 1  -30    0    4 o   19.290   0.5838   19.290   0.5838   19.290   0.5838 0.000000 0.000000 
1 1 1  -30    0    5 o   28.120   0.6121   28.120   0.6121   28.120   0.6121 0.000000 0.000000 
1 1 1  -30    0    6 o   17.170   0.6546   17.170   0.6546   17.170   0.6546 -0.000000 0.000000 
1 1 1  -30    0    7 o   37.170   0.5092   37.170   0.5092   37.170   0.5092 -0.000000 0.000000 
1 1 1  -30    0    9 o   46.120   0.6109   46.120   0.6109   46.120   0.6109 0.000000 0.000000 
1 1 1  -30    0   10 o   28.330   0.3727   28.330   0.3727   28.330   0.3727 0.000000 0.000000 
1 1 1  -30    0   11 o   25.430   0.3328   25.430   0.3328   25.430   0.3328 0.000000 0.000000 
1 1 1  -30    0   12 o   66.050   0.8507   66.050   0.8507   66.050   0.8507 -0.000000 0.000000 
1 1 1  -30    0   13 o   35.680   0.5385   35.680   0.5385   35.680   0.5385 0.000000 0.000000 
1 1 1  -30    0   14 o   25.280   0.3756   25.280   0.3756   25.280   0.3756 0.000000 0.000000 
1 1 1  -30    0   15 o   22.480   0.3999   22.480   0.3999   22.480   0.3999 0.000000 0.000000 
1 1 1  -30    0   16 o  104.800   0.9412  104.800   0.9412  104.800   0.9412 0.000000 0.000000 
1 1 1  -30    0   17 o   72.610   0.6663   72.610   0.6663   72.610   0.6663 0.000000 0.000000 
1 1 1  -30    0   18 o   51.020   0.5009   51.020   0.5009   51.020   0.5009 -0.000000 0.000000 
1 1 1  -30    0   19 o   45.000   0.4654   45.000   0.4654   45.000   0.4654 0.000000 0.000000 
1 1 1  -30    0   20 o   3.1960   1.8020   3.1960   1.8020   3.1960   1.8020 -0.000000 0.000000 
1 1 1  -30    0   21 o   15.370   0.8018   15.370   0.8018   15.370   0.8018 0.000000 0.000000 
1 1 1  -30    0   22 o   15.530   0.7872   15.530   0.7872   15.530   0.7872 -0.000000 0.000000 
1 1 1  -30    0   23 o   15.040   0.5864   15.040   0.5864   15.040   0.5864 -0.000000 0.000000 
1 1 1  -30    0   24 o   24.750   0.4302   24.750   0.4302   24.750   0.4302 0.000000 0.000000 
1 1 1  -30    0   25 o   11.120   0.7847   11.120   0.7847   11.120   0.7847 0.000000 0.000000 
1 1 1  -30    0   26 o   2.8190   1.8450   2.8190   1.8450   2.8190   1.8450 -0.000000 0.000000 
1 1 1  -30    0   27 o   17.940   0.7728   17.940   0.7728   17.940   0.7728 0.000000 0.000000 
1 1 1  -30    0   28 o   9.8480   0.9150   9.8480   0.9150   9.8480   0.9150 0.000000 0.000000 
1 1 1  -30    0   29 o   2.6040   1.6410   2.6040   1.6410   2.6040   1.6410 0.000000 0.000000 
1 1 1  -30    0   30 o   5.3570   1.9370   5.3570   1.9370   5.3570   1.9370 0.000000 0.000000 
1 1 1  -30    0   31 o   3.6170   1.9770   3.6170   1.9770   3.6170   1.9770 0.000000 0.000000 
1 1 1  -30    0   32 o   14.060   0.8022   14.060   0.8022   14.060   0.8022 -0.000000 0.000000 
1 1 1  -30    0   33 o   2.2960   1.5690   2.2960   1.5690   2.2960   1.5690 0.000000 0.000000 
1 1 1  -30    0   34 o   6.4420   2.5230   6.4420   2.5230   6.4420   2.5230 -0.000000 0.000000 
1 1 1  -30    0   35 o   4.0220   2.1780   4.0220   2.1780   4.0220   2.1780 0.000000 0.000000 
1 1 1  -30    0   36 o   3.9490   2.1780   3.9490   2.1780   3.9490   2.1780 -0.000000 0.000000 
1 1 1  -30    0   37 o   1.7730   1.2800   1.7730   1.2800   1.7730   1.2800 0.000000 0.000000 
1 1 1  -30    2    1 o   48.380   0.5250  ?   ?    48.380   0.5250      ?      ? 
1 1 1  -30    2    2 f   58.570   0.4620   58.020   0.7514   59.120   0.5377 -1.099000 0.9240000 
1 1 1  -30    2    3 o   72.770   0.5345   71.940   0.7482   73.610   0.7636 -1.677000 1.069000 
1 1 1  -30    2    4 o   90.650   0.6196   89.870   0.9297   91.430   0.8194 -1.565000 1.239000 
1 1 1  -30    2    5 f   10.200   0.2595   10.460   0.3699   9.9260   0.3641 0.5375000 0.5190000 
1 1 1  -30    2    6 o   34.870   0.2434   34.670   0.3435   35.070   0.3449 -0.4076000 0.4867000 
1 1 1  -30    2    7 o   80.600   0.5524   80.870   0.7252   80.340   0.8334 0.5306000 1.105000 
1 1 1  -30    2    8 o   56.540   0.4234   56.990   0.6031   56.090   0.5943 0.8996000 0.8467000 
1 1 1  -30    2    9 o   59.210   0.4651   59.470   0.5432   58.950   0.7551 0.5261000 0.9302000 
1 1 1  -30    2   10 o   88.890   0.6898   88.990   0.7981   88.790   1.1250 0.1965000 1.380000 
1 1 1  -30    2   11 o   54.750   0.4607   54.830   0.5846   54.670   0.7121 0.1635000 0.9213000 
1 1 1  -30    2   12 o   44.340   0.3901   44.510   0.4966   44.170   0.6017 0.3335000 0.7802000 
1 1 1  -30    2   13 o   63.490   0.6739   63.460   0.6772   63.530   1.1650 -0.6857000E-01 1.348000 
1 1 1  -30    2   14 o   51.720   0.4291   51.690   0.4957   51.750   0.7005 -0.5316000E-01 0.8582000 
1 1 1  -30    2   15 o   26.720   0.3204   27.400   0.4326   26.040   0.4727 1.360000 0.6408000 
1 1 1  -30    2   16 o   29.830   0.2818   29.880   0.3932   29.790   0.4038 0.8529000E-01 0.5637000 
1 1 1  -30    2   17 o   76.900   0.4977   76.580   0.7011   77.220   0.7066 -0.6419000 0.9954000 
1 1 1  -30    2   18 o   68.760   0.4506   68.820   0.6379   68.710   0.6366 0.1043000 0.9012000 
1 1 1  -30    2   19 o   31.030   0.2977   31.160   0.4218   30.890   0.4201 0.2698000 0.5954000 
1 1 1  -30    2   20 o   23.320   0.3214   23.600   0.4524   23.040   0.4566 0.5635000 0.6428000 
1 1 1  -30    2   21 o   12.440   0.5893   12.540   0.8363   12.340   0.8303 0.1980000 1.179000 
1 1 1  -30    2   22 o   9.6010   0.7316   8.7940   1.0950   10.410   0.9708 -1.614000 1.463000 
1 1 1  -30    2   23 o   21.120   0.3264   21.190   0.4567   21.040   0.4664 0.1493000 0.6528000 
1 1 1  -30    2   24 o   19.210   0.3445   19.030   0.4848   19.390   0.4897 -0.3582000 0.6891000 
1 1 1  -30    2   25 o   16.420   0.3892   16.470   0.5424   16.370   0.5583 0.1025000 0.7784000 
1 1 1  -30    2   26 o   6.8020   1.0800   6.8450   1.4520   6.7590   1.5980 0.8525000E-01 2.159000 
1 1 1  -30    2   27 o   17.280   0.4570   17.180   0.6482   17.380   0.6445 -0.2025000 0.9141000 
1 1 1  -30    2   28 o   6.8870   0.9539   7.1210   1.2860   6.6520   1.4090 0.4692000 1.908000 
1 1 1  -30    2   29 o   13.190   0.5155   12.440   0.7485   13.940   0.7089 -1.495000 1.031000 
1 1 1  -30    2   30 o   12.980   0.5472   13.400   0.7305   12.560   0.8149 0.8396000 1.094000 
1 1 1  -30    2   31 o   12.040   0.6316   12.190   0.8941   11.890   0.8923 0.3049000 1.263000 
1 1 1  -30    2   32 o   12.720   0.6315   12.010   0.9429   13.420   0.8402 -1.404000 1.263000 
1 1 1  -30    2   33 o   7.7210   1.0860   7.0010   1.6470   8.4410   1.4170 -1.440000 2.173000 
1 1 1  -30    2   34 o   3.8100   1.2350   4.2680   1.8730   3.3520   1.6110 0.9151000 2.471000 
1 1 1  -30    2   35 o   4.0410   1.2290   3.7090   1.6810   4.3730   1.7940 -0.6637000 2.458000 
1 1 1  -30    2   36 o   3.1170   1.0440   3.3420   1.5510   2.8930   1.3990 0.4493000 2.089000 
1 1 1  -30    2   37 o   2.5860   0.9033   2.8440   1.3790   2.3270   1.1670 0.5169000 1.807000 
1 1 1  -30    4    1 o   24.580   0.2332   24.870   0.2957   24.290   0.3607 0.5813000 0.4664000 
1 1 1  -30    4    2 f   19.010   0.5486   19.010   0.5486  ?   ?       ?      ? 
1 1 1  -30    4    3 o   74.180   0.6726   73.940   0.9476   74.430   0.9548 -0.4928000 1.345000 
1 1 1  -30    4    4 o   84.290   0.7595   84.980   1.0820   83.590   1.0660 1.392000 1.519000 
1 1 1  -30    4    5 o   54.080   0.5059   54.280   0.7168   53.870   0.7141 0.4118000 1.012000 
1 1 1  -30    4    6 o   37.890   0.3341   38.410   0.5591   37.380   0.3659 1.028000 0.6682000 
1 1 1  -30    4    7 o  100.000   0.6329   99.890   0.8942  100.100   0.8959 -0.2323000 1.266000 
1 1 1  -30    4    8 o   31.620   0.3305   31.670   0.4628   31.560   0.4720 0.1101000 0.6611000 
1 1 1  -30    4    9 f   55.080   0.5072   55.320   0.7189   54.850   0.7155 0.4700000 1.014000 
1 1 1  -30    4   10 o   63.070   0.4087   63.700   0.5843   62.430   0.5715 1.275000 0.8173000 
1 1 1  -30    4   11 o  124.400   0.7851  124.200   1.1090  124.500   1.1120 -0.3035000 1.570000 
1 1 1  -30    4   12 o   80.320   0.5141   79.960   0.7240   80.670   0.7301 -0.7151000 1.028000 
1 1 1  -30    4   13 o   38.850   0.3796   39.950   0.4938   37.740   0.5767 2.204000 0.7592000 
1 1 1  -30    4   14 o   48.340   0.3926   47.950   0.5539   48.730   0.5566 -0.7783000 0.7852000 
1 1 1  -30    4   15 o   40.210   0.4292   40.210   0.4292  ?   ?       ?      ? 
1 1 1  -30    4   16 o   48.180   0.4150   48.110   0.4819   48.250   0.6758 -0.1364000 0.8300000 
1 1 1  -30    4   17 o   29.860   0.3584   29.660   0.4187   30.050   0.5819 -0.3850000 0.7169000 
1 1 1  -30    4   18 o   41.730   0.3897   41.620   0.4521   41.850   0.6348 -0.2275000 0.7793000 
1 1 1  -30    4   19 o   13.600   0.5959   13.790   0.6698   13.420   0.9859 0.3660000 1.192000 
1 1 1  -30    4   20 o   10.860   0.6798   10.660   0.9529   11.060   0.9697 -0.3941000 1.360000 
1 1 1  -30    4   21 o   31.500   0.3010   31.630   0.4236   31.380   0.4276 0.2513000 0.6019000 
1 1 1  -30    4   22 o   25.910   0.3431   25.540   0.4741   26.280   0.4961 -0.7332000 0.6862000 
1 1 1  -30    4   23 o   18.720   0.3511   18.640   0.4914   18.810   0.5017 -0.1747000 0.7022000 
1 1 1  -30    4   24 o   13.400   0.4620   14.070   0.6041   12.720   0.6990 1.349000 0.9239000 
1 1 1  -30    4   25 o   13.640   0.5311   13.960   0.6960   13.320   0.8024 0.6412000 1.062000 
1 1 1  -30    4   26 o   17.080   0.3860   16.710   0.5329   17.440   0.5587 -0.7271000 0.7721000 
1 1 1  -30    4   27 o   21.320   0.4057   21.070   0.5837   21.560   0.5635 -0.4925000 0.8113000 
1 1 1  -30    4   28 o   16.580   0.4108   17.100   0.5485   16.050   0.6115 1.048000 0.8215000 
1 1 1  -30    4   29 o   12.170   0.5515   11.290   0.8038   13.050   0.7554 -1.755000 1.103000 
1 1 1  -30    4   30 o   13.020   0.5589   13.630   0.7406   12.410   0.8373 1.223000 1.118000 
1 1 1  -30    4   31 o   4.3490   1.1990   4.0200   1.6450   4.6780   1.7440 -0.6581000 2.397000 
1 1 1  -30    4   32 o   4.1110   1.1760   4.6970   1.7480   3.5260   1.5750 1.172000 2.353000 
1 1 1  -30    4   33 o   3.7230   1.1860   3.6130   1.6590   3.8330   1.6950 -0.2200000 2.372000 
1 1 1  -30    4   34 o   10.320   0.9827   9.6310   1.4420   11.020   1.3350 -1.384000 1.965000 
1 1 1  -30    4   35 o   3.8090   1.2320   4.0510   1.7670   3.5670   1.7160 0.4837000 2.463000 
1 1 1  -30    4   36 o   4.1880   1.1860   5.4310   1.8650   2.9440   1.4640 2.487000 2.371000 
1 1 1  -30    4   37 f   2.6560   0.9551   2.7580   1.3850   2.5530   1.3160 0.2049000 1.910000 
1 1 1  -30    6    1 o   38.190   0.2975   37.000   0.3746   39.370   0.4623 -2.368000 0.5950000 
1 1 1  -30    6    2 f   51.330   0.4356   49.760   0.5294   52.890   0.6920 -3.124000 0.8713000 
1 1 1  -30    6    3 o   70.140   0.9091   69.620   1.2760   70.670   1.2950 -1.044000 1.818000 
1 1 1  -30    6    4 o   51.860   0.6994   51.670   0.9855   52.060   0.9927 -0.3829000 1.399000 
1 1 1  -30    6    5 o   57.320   0.6622   61.030   1.1340   53.610   0.6849 7.419000 1.324000 
1 1 1  -30    6    6 o   60.290   0.3905   60.590   0.5542   60.000   0.5504 0.5976000 0.7811000 
1 1 1  -30    6    7 o   52.190   0.3451   52.720   0.4921   51.670   0.4840 1.048000 0.6902000 
1 1 1  -30    6    8 o   18.870   0.2919   18.670   0.4041   19.070   0.4212 -0.3994000 0.5837000 
1 1 1  -30    6    9 o   74.960   0.4805   75.430   0.6840   74.480   0.6750 0.9491000 0.9610000 
1 1 1  -30    6   10 o   36.060   0.2947   37.130   0.3947   35.000   0.4376 2.130000 0.5893000 
1 1 1  -30    6   11 o   69.520   0.4501   69.560   0.6370   69.480   0.6360 0.8707000E-01 0.9002000 
1 1 1  -30    6   12 o   57.840   0.3851   57.420   0.5410   58.260   0.5482 -0.8416000 0.7702000 
1 1 1  -30    6   13 o   26.450   0.3501   25.930   0.5026   26.980   0.4876 -1.045000 0.7003000 
1 1 1  -30    6   14 o   59.620   0.4626   59.330   0.6519   59.910   0.6564 -0.5781000 0.9252000 
1 1 1  -30    6   15 o   34.960   0.3704   34.710   0.4164   35.210   0.6127 -0.4968000 0.7408000 
1 1 1  -30    6   16 o   84.510   0.5451   84.490   0.7703   84.520   0.7715 -0.3030000E-01 1.090000 
1 1 1  -30    6   17 o   50.820   0.3584   50.870   0.5069   50.770   0.5067 0.1005000 0.7167000 
1 1 1  -30    6   18 o   44.470   0.3851   44.680   0.5470   44.260   0.5421 0.4188000 0.7701000 
1 1 1  -30    6   19 f   32.550   0.3537   32.770   0.5018   32.330   0.4987 0.4408000 0.7075000 
1 1 1  -30    6   20 o   11.390   0.7592   12.700   0.7208   10.080   1.3360 2.616000 1.518000 
1 1 1  -30    6   21 o   30.450   0.3772   30.470   0.4256   30.430   0.6228 0.3978000E-01 0.7543000 
1 1 1  -30    6   22 o   18.630   0.5838   18.320   0.5535   18.940   1.0280 -0.6210000 1.168000 
1 1 1  -30    6   23 o   28.560   0.3745   28.120   0.4237   29.000   0.6176 -0.8804000 0.7490000 
1 1 1  -30    6   24 o   4.7480   1.1220   5.9780   1.5580   3.5170   1.6160 2.462000 2.245000 
1 1 1  -30    6   25 o   4.5240   1.0950   3.9440   1.4980   5.1050   1.5970 -1.161000 2.189000 
1 1 1  -30    6   26 o   17.140   0.3929   17.000   0.5345   17.270   0.5760 -0.2688000 0.7858000 
1 1 1  -30    6   27 o   7.0670   1.0840   7.4280   1.4620   6.7060   1.6000 0.7221000 2.168000 
1 1 1  -30    6   28 o   15.760   0.4399   14.720   0.6352   16.800   0.6089 -2.083000 0.8799000 
1 1 1  -30    6   29 o   14.720   0.4855   15.640   0.6504   13.790   0.7210 1.855000 0.9710000 
1 1 1  -30    6   30 o   5.4000   1.1810   5.9420   1.6240   4.8570   1.7150 1.085000 2.362000 
1 1 1  -30    6   31 o   5.0270   1.2170   5.8480   1.7240   4.2060   1.7200 1.642000 2.435000 
1 1 1  -30    6   32 o   5.6740   1.5060   5.4090   1.9150   5.9390   2.3240 -0.5301000 3.011000 
1 1 1  -30    6   33 o   3.7450   1.2410   3.7400   1.6980   3.7490   1.8090 -0.9105000E-02 2.481000 
1 1 1  -30    6   34 o   9.8380   1.1450   9.4030   1.5020   10.270   1.7270 -0.8699000 2.289000 
1 1 1  -30    6   35 o   3.5630   1.1580   3.1840   1.5160   3.9410   1.7510 -0.7571000 2.316000 
1 1 1  -30    6   36 o   2.5290   0.8864   2.5260   1.2510   2.5320   1.2560 -0.5420000E-02 1.773000 
1 1 1  -30    8    1 o   69.320   0.5197   69.420   0.7351   69.230   0.7348 0.1946000 1.039000 
1 1 1  -30    8    2 o   29.420   0.3310   29.380   0.5075   29.460   0.4252 -0.7837000E-01 0.6621000 
1 1 1  -30    8    3 o   56.870   0.4044   57.850   0.5363   55.890   0.6054 1.962000 0.8088000 
1 1 1  -30    8    4 o   23.100   0.2754   23.420   0.4218   22.790   0.3542 0.6279000 0.5508000 
1 1 1  -30    8    5 o   60.300   0.4271   60.460   0.5573   60.140   0.6473 0.3233000 0.8542000 
1 1 1  -30    8    6 o   54.090   0.4194   53.940   0.5895   54.240   0.5969 -0.3085000 0.8389000 
1 1 1  -30    8    7 o  106.800   0.7822  106.800   1.1060  106.700   1.1060 0.1279000 1.564000 
1 1 1  -30    8    8 o   29.070   0.2878   28.290   0.3756   29.850   0.4363 -1.552000 0.5757000 
1 1 1  -30    8    9 o   66.720   0.4360   66.610   0.6162   66.840   0.6171 -0.2331000 0.8721000 
1 1 1  -30    8   10 o   33.900   0.2885   33.640   0.4059   34.170   0.4100 -0.5304000 0.5770000 
1 1 1  -30    8   11 o   56.080   0.3804   55.870   0.5354   56.290   0.5406 -0.4199000 0.7609000 
1 1 1  -30    8   12 o   68.160   0.4479   68.030   0.6314   68.280   0.6356 -0.2507000 0.8959000 
1 1 1  -30    8   13 o   29.510   0.3672   29.530   0.5169   29.500   0.5217 0.2765000E-01 0.7344000 
1 1 1  -30    8   14 o   46.140   0.3394   45.350   0.4726   46.940   0.4872 -1.589000 0.6787000 
1 1 1  -30    8   15 o   42.110   0.3266   41.910   0.4577   42.310   0.4660 -0.3994000 0.6532000 
1 1 1  -30    8   16 o   36.660   0.3144   36.870   0.4439   36.460   0.4453 0.4135000 0.6288000 
1 1 1  -30    8   17 o   28.710   0.3717   28.620   0.5150   28.790   0.5361 -0.1672000 0.7434000 
1 1 1  -30    8   18 o   17.830   0.4148   17.670   0.5746   17.990   0.5985 -0.3190000 0.8297000 
1 1 1  -30    8   19 o   30.510   0.3094   30.350   0.4317   30.680   0.4433 -0.3362000 0.6187000 
1 1 1  -30    8   20 o   17.310   0.3989   16.980   0.5674   17.650   0.5607 -0.6657000 0.7977000 
1 1 1  -30    8   21 o   36.770   0.3137   37.240   0.4419   36.300   0.4453 0.9379000 0.6273000 
1 1 1  -30    8   22 o   3.1140   0.9985   3.0760   1.3930   3.1520   1.4310 -0.7596000E-01 1.997000 
1 1 1  -30    8   23 o   24.180   0.3675   23.890   0.4980   24.480   0.5406 -0.5804000 0.7350000 
1 1 1  -30    8   24 o   16.050   0.5184   15.110   0.5874   16.990   0.8543 -1.882000 1.037000 
1 1 1  -30    8   25 o   8.1360   0.9966   7.5110   1.1840   8.7620   1.6030 -1.250000 1.993000 
1 1 1  -30    8   26 o   6.6410   1.1910   8.8790   1.2530   4.4020   2.0260 4.477000 2.383000 
1 1 1  -30    8   27 o   11.780   1.1450   12.670   0.8981   10.900   2.1070 1.773000 2.291000 
1 1 1  -30    8   28 o   16.720   0.5885   16.720   0.5885  ?   ?       ?      ? 
1 1 1  -30    8   29 o   5.0840   1.2590   5.2680   1.6110   4.8990   1.9340 0.3688000 2.518000 
1 1 1  -30    8   30 f   7.1130   1.2740   6.9330   1.5650   7.2920   2.0110 -0.3586000 2.548000 
1 1 1  -30    8   31 o   11.180   0.9968   12.700   0.9033   9.6730   1.7770 3.022000 1.994000 
1 1 1  -30    8   32 o   14.830   0.7034   15.250   0.9398   14.410   1.0470 0.8422000 1.407000 
1 1 1  -30    8   33 o   3.2930   1.0820   3.1840   1.4910   3.4020   1.5670 -0.2187000 2.163000 
1 1 1  -30    8   34 o   4.2360   1.2720   3.7420   1.6920   4.7310   1.8990 -0.9888000 2.544000 
1 1 1  -30    8   35 f   5.5510   1.3170   5.3880   1.8800   5.7140   1.8440 -0.3257000 2.633000 
1 1 1  -30    8   36 o   3.1840   1.0720   3.8070   1.7160   2.5620   1.2860 1.245000 2.145000 
1 1 1  -30   10    1 o   56.580   0.4442   56.530   0.6270   56.640   0.6293 -0.1087000 0.8883000 
1 1 1  -30   10    2 o   69.900   0.4540   70.120   0.6431   69.680   0.6409 0.4378000 0.9079000 
1 1 1  -30   10    3 o   29.960   0.2731   30.150   0.3818   29.780   0.3905 0.3632000 0.5462000 
1 1 1  -30   10    4 o   25.560   0.2817   25.770   0.3879   25.350   0.4087 0.4177000 0.5635000 
1 1 1  -30   10    5 o   64.080   0.4210   63.970   0.5927   64.190   0.5981 -0.2216000 0.8420000 
1 1 1  -30   10    6 o   22.960   0.3028   22.810   0.4097   23.110   0.4460 -0.3042000 0.6056000 
1 1 1  -30   10    7 o   48.650   0.3706   47.800   0.4756   49.490   0.5685 -1.688000 0.7412000 
1 1 1  -30   10    8 o   33.360   0.2980   33.120   0.4112   33.590   0.4315 -0.4753000 0.5960000 
1 1 1  -30   10    9 o   54.180   0.3750   53.790   0.5264   54.580   0.5342 -0.7950000 0.7500000 
1 1 1  -30   10   10 o   77.750   0.5056   77.920   0.7160   77.580   0.7141 0.3343000 1.011000 
1 1 1  -30   10   11 o   17.420   0.5270   17.530   0.7460   17.320   0.7445 0.2071000 1.054000 
1 1 1  -30   10   12 o   37.470   0.3815   36.880   0.5375   38.060   0.5415 -1.186000 0.7629000 
1 1 1  -30   10   13 o   31.010   0.3256   30.580   0.4531   31.440   0.4677 -0.8576000 0.6512000 
1 1 1  -30   10   14 o   65.700   0.5090   65.310   0.7154   66.090   0.7244 -0.7742000 1.018000 
1 1 1  -30   10   15 o   47.940   0.4121   47.840   0.5793   48.050   0.5862 -0.2054000 0.8241000 
1 1 1  -30   10   16 o   51.220   0.3701   51.140   0.5214   51.310   0.5255 -0.1719000 0.7402000 
1 1 1  -30   10   17 o   37.150   0.3221   36.930   0.4508   37.360   0.4601 -0.4305000 0.6441000 
1 1 1  -30   10   18 o   8.6190   0.8413   7.7710   1.2990   9.4680   1.0700 -1.697000 1.683000 
1 1 1  -30   10   19 o   18.720   0.3943   18.920   0.5384   18.520   0.5763 0.4003000 0.7886000 
1 1 1  -30   10   20 o   26.340   0.3248   26.210   0.4547   26.470   0.4639 -0.2587000 0.6495000 
1 1 1  -30   10   21 o   5.0910   1.2540   3.8960   1.6350   6.2870   1.9030 -2.391000 2.508000 
1 1 1  -30   10   22 o   4.2790   1.1630   3.3560   1.4980   5.2020   1.7810 -1.846000 2.327000 
1 1 1  -30   10   23 f   13.030   0.5147   12.060   0.7355   14.010   0.7202 -1.950000 1.029000 
1 1 1  -30   10   24 o   8.7620   0.9175   9.2630   0.9353   8.2610   1.5790 1.002000 1.835000 
1 1 1  -30   10   25 o   15.700   0.5151   15.160   0.6098   16.240   0.8303 -1.075000 1.030000 
1 1 1  -30   10   26 o   19.070   0.5057   19.160   0.6540   18.980   0.7715 0.1865000 1.011000 
1 1 1  -30   10   27 o   5.0150   1.2680   4.5930   1.6220   5.4370   1.9500 -0.8437000 2.537000 
1 1 1  -30   10   28 o   17.930   0.5547   18.030   0.5851   17.830   0.9427 0.1940000 1.109000 
1 1 1  -30   10   29 o   3.9010   1.2170   3.4690   1.5190   4.3320   1.9030 -0.8630000 2.434000 
1 1 1  -30   10   30 o   3.7150   1.1930   3.6550   1.5940   3.7760   1.7740 -0.1219000 2.385000 
1 1 1  -30   10   31 o   3.4140   1.1490   3.4690   1.6200   3.3600   1.6300 0.1085000 2.298000 
1 1 1  -30   10   32 o   4.7030   1.3010   4.7280   1.8320   4.6780   1.8480 0.5046000E-01 2.602000 
1 1 1  -30   10   33 o   9.9160   0.9263   10.070   1.2760   9.7580   1.3430 0.3158000 1.853000 
1 1 1  -30   10   34 o   4.0780   1.2540   3.8160   1.7050   4.3390   1.8400 -0.5231000 2.508000 
1 1 1  -30   10   35 o   2.5460   0.9041   2.3760   1.2040   2.7150   1.3490 -0.3388000 1.808000 
1 1 1  -30   12    1 o   19.310   0.3759   19.040   0.5225   19.580   0.5404 -0.5333000 0.7517000 
1 1 1  -30   12    2 o   30.560   0.3681   30.500   0.5223   30.610   0.5188 -0.1134000 0.7362000 
1 1 1  -30   12    3 o   57.500   0.3912   57.580   0.5517   57.410   0.5547 0.1723000 0.7824000 
1 1 1  -30   12    4 o   49.070   0.3827   49.050   0.4946   49.080   0.5843 -0.3587000E-01 0.7655000 
1 1 1  -30   12    5 o   28.880   0.3176   28.590   0.4346   29.170   0.4633 -0.5737000 0.6352000 
1 1 1  -30   12    6 o   48.180   0.3798   46.660   0.4817   49.700   0.5873 -3.048000 0.7595000 
1 1 1  -30   12    7 o   73.330   0.4806   72.590   0.6715   74.060   0.6877 -1.469000 0.9612000 
1 1 1  -30   12    8 f   50.140   0.3609   49.600   0.5009   50.680   0.5197 -1.081000 0.7218000 
1 1 1  -30   12    9 o   47.290   0.4113   47.470   0.5762   47.100   0.5870 0.3707000 0.8226000 
1 1 1  -30   12   10 o   60.440   0.4823   60.700   0.6838   60.170   0.6803 0.5385000 0.9646000 
1 1 1  -30   12   11 o   29.950   0.3970   30.540   0.5460   29.350   0.5765 1.189000 0.7940000 
1 1 1  -30   12   12 o   36.740   0.3872   36.560   0.5408   36.910   0.5545 -0.3504000 0.7745000 
1 1 1  -30   12   13 o   26.800   0.3901   26.390   0.5072   27.220   0.5928 -0.8267000 0.7801000 
1 1 1  -30   12   14 o   21.530   0.3945   21.770   0.5416   21.300   0.5738 0.4719000 0.7890000 
1 1 1  -30   12   15 o   11.490   0.6617   11.420   0.9108   11.570   0.9601 -0.1585000 1.323000 
1 1 1  -30   12   16 o   10.120   0.7558   10.070   1.0390   10.180   1.0980 -0.1101000 1.512000 
1 1 1  -30   12   17 o   37.090   0.3517   37.220   0.4529   36.960   0.5382 0.2554000 0.7034000 
1 1 1  -30   12   18 o   20.240   0.3780   20.230   0.5230   20.250   0.5460 -0.2105000E-01 0.7561000 
1 1 1  -30   12   19 o   15.610   0.7063   16.030   0.6829   15.180   1.2360 0.8484000 1.413000 
1 1 1  -30   12   20 o   20.770   0.5871   20.350   0.6448   21.190   0.9814 -0.8372000 1.174000 
1 1 1  -30   12   21 o   15.580   0.5370   15.850   0.6527   15.310   0.8530 0.5431000 1.074000 
1 1 1  -30   12   22 o   6.6560   1.1510   5.7660   1.5290   7.5460   1.7200 -1.780000 2.302000 
1 1 1  -30   12   23 o   17.610   0.4902   17.320   0.5689   17.900   0.7985 -0.5850000 0.9804000 
1 1 1  -30   12   24 o   4.0360   1.0980   4.5490   1.5810   3.5230   1.5220 1.026000 2.195000 
1 1 1  -30   12   25 o   5.7320   1.2400   6.0830   1.7250   5.3800   1.7830 0.7030000 2.481000 
1 1 1  -30   12   26 o   18.540   0.4877   18.310   0.6965   18.770   0.6830 -0.4589000 0.9755000 
1 1 1  -30   12   27 o   7.0180   1.0520   5.4240   1.6600   8.6130   1.2930 -3.189000 2.104000 
1 1 1  -30   12   28 o   11.010   0.6998   10.560   0.9893   11.450   0.9900 -0.8848000 1.400000 
1 1 1  -30   12   29 o   6.4320   1.3630   5.7000   1.9410   7.1640   1.9150 -1.464000 2.727000 
1 1 1  -30   12   30 o   5.2080   1.3310   4.0270   1.7880   6.3890   1.9720 -2.362000 2.662000 
1 1 1  -30   12   31 o   6.4100   1.3060   6.1610   1.8010   6.6590   1.8930 -0.4985000 2.612000 
1 1 1  -30   12   32 o   4.5150   1.3490   4.2690   1.7570   4.7620   2.0470 -0.4935000 2.698000 
1 1 1  -30   12   33 o   4.4360   1.3960   4.0430   1.7300   4.8290   2.1920 -0.7868000 2.793000 
1 1 1  -30   12   34 o   3.1890   1.1200   3.0860   1.5190   3.2910   1.6470 -0.2049000 2.241000 
1 1 1  -30   14    2 o   85.640   0.7856   85.460   1.1080   85.820   1.1140 -0.3518000 1.571000 
1 1 1  -30   14    4 o   13.230   0.8424   12.400   1.2030   14.060   1.1800 -1.666000 1.685000 
1 1 1  -30   14    5 o   64.680   0.8704   64.680   0.8704  ?   ?       ?      ? 
1 1 1  -30   14    6 o   39.040   0.6568   39.040   0.6568  ?   ?       ?      ? 
1 1 1  -30   14    7 o   44.560   0.4926   44.960   0.6896   44.170   0.7036 0.7833000 0.9852000 
1 1 1  -30   14    8 o   19.990   0.4945   20.330   0.6548   19.640   0.7412 0.6955000 0.9890000 
1 1 1  -30   14    9 o   26.210   0.3662   25.580   0.5008   26.850   0.5346 -1.269000 0.7325000 
1 1 1  -30   14   10 o   8.7230   0.9506   8.9230   1.2110   8.5230   1.4660 0.4000000 1.901000 
1 1 1  -30   14   11 o   9.5700   0.9173   10.440   1.1950   8.6960   1.3920 1.748000 1.835000 
1 1 1  -30   14   12 o   25.570   0.3718   25.620   0.5148   25.510   0.5367 0.1111000 0.7437000 
1 1 1  -30   14   13 o   14.440   0.5672   14.140   0.7939   14.740   0.8102 -0.6057000 1.134000 
1 1 1  -30   14   14 o   40.500   0.4104   40.950   0.4814   40.050   0.6649 0.9005000 0.8209000 
1 1 1  -30   14   15 o   30.240   0.4000   30.200   0.4739   30.280   0.6446 -0.7842000E-01 0.8000000 
1 1 1  -30   14   16 o   7.6780   1.1230   8.4430   1.2080   6.9130   1.8950 1.529000 2.247000 
1 1 1  -30   14   17 o   29.320   0.5404   30.580   0.5964   28.060   0.9013 2.525000 1.081000 
1 1 1  -30   14   18 o   25.250   0.5241   25.450   0.5404   25.060   0.8981 0.3935000 1.048000 
1 1 1  -30   14   19 o   48.610   0.4126   48.880   0.5806   48.350   0.5864 0.5278000 0.8252000 
1 1 1  -30   14   20 o   33.390   0.3620   33.890   0.5047   32.880   0.5191 1.008000 0.7240000 
1 1 1  -30   14   21 o   5.6050   1.1010   6.5970   1.4290   4.6120   1.6750 1.985000 2.202000 
1 1 1  -30   14   22 o   14.580   0.5039   14.900   0.6606   14.260   0.7610 0.6411000 1.008000 
1 1 1  -30   14   23 o   13.000   0.5654   12.920   0.7667   13.070   0.8312 -0.1459000 1.131000 
1 1 1  -30   14   24 f   6.8120   1.0510   5.3450   1.6620   8.2780   1.2890 -2.933000 2.103000 
1 1 1  -30   14   25 f   7.7080   1.1600   7.5210   1.6730   7.8950   1.6070 -0.3732000 2.320000 
1 1 1  -30   14   26 o   14.280   0.5559   13.800   0.7860   14.760   0.7862 -0.9669000 1.112000 
1 1 1  -30   14   27 o   14.760   0.5660   15.400   0.7192   14.130   0.8743 1.269000 1.132000 
1 1 1  -30   14   28 o   14.350   0.7184   13.490   1.0410   15.220   0.9903 -1.737000 1.437000 
1 1 1  -30   14   29 o   4.0390   1.2100   4.0290   1.6950   4.0490   1.7280 -0.2014000E-01 2.420000 
1 1 1  -30   14   30 f   3.7520   1.1700   3.7340   1.6410   3.7690   1.6700 -0.3534000E-01 2.341000 
1 1 1  -30   14   31 o   3.6540   1.1440   2.9460   1.4140   4.3620   1.7970 -1.416000 2.287000 
1 1 1  -30   14   32 o   2.4810   0.8761   2.7460   1.3470   2.2170   1.1210 0.5293000 1.752000 
1 1 1  -30   14   33 o   2.9150   1.0280   2.4310   1.2350   3.3990   1.6440 -0.9679000 2.056000 
1 1 1  -30   16    1 o   21.680   0.4016   21.840   0.5528   21.520   0.5829 0.3277000 0.8033000 
1 1 1  -30   16    2 o   47.870   0.3598   47.960   0.5067   47.770   0.5109 0.1881000 0.7196000 
1 1 1  -30   16    3 o   21.810   0.4457   21.170   0.5647   22.440   0.6897 -1.266000 0.8914000 
1 1 1  -30   16    4 o   19.490   0.4227   19.580   0.5838   19.390   0.6114 0.1924000 0.8453000 
1 1 1  -30   16    5 o   29.860   0.3445   30.470   0.4675   29.250   0.5061 1.221000 0.6890000 
1 1 1  -30   16    6 o   11.060   0.7460   10.190   1.0710   11.930   1.0390 -1.744000 1.492000 
1 1 1  -30   16    7 o   19.770   0.5651   20.440   0.5728   19.090   0.9742 1.351000 1.130000 
1 1 1  -30   16    8 o   36.240   0.4164   36.660   0.4621   35.820   0.6927 0.8372000 0.8327000 
1 1 1  -30   16    9 o   27.500   0.4381   27.580   0.4814   27.410   0.7320 0.1633000 0.8762000 
1 1 1  -30   16   10 o   10.290   0.9101   8.4630   1.2620   12.120   1.3120 -3.654000 1.820000 
1 1 1  -30   16   11 o   18.590   0.5352   18.770   0.5988   18.410   0.8873 0.3620000 1.070000 
1 1 1  -30   16   12 o   20.610   0.4900   21.040   0.5443   20.190   0.8149 0.8520000 0.9800000 
1 1 1  -30   16   13 o   11.800   0.7880   11.960   1.0850   11.640   1.1430 0.3223000 1.576000 
1 1 1  -30   16   14 o   10.550   0.8640   9.5680   1.3140   11.530   1.1220 -1.960000 1.728000 
1 1 1  -30   16   15 o   10.970   0.8171   10.910   1.1320   11.020   1.1790 -0.1053000 1.634000 
1 1 1  -30   16   16 o   9.1220   0.8352   9.7060   1.0680   8.5370   1.2850 1.169000 1.670000 
1 1 1  -30   16   17 o   28.810   0.3588   28.610   0.4729   29.000   0.5397 -0.3960000 0.7176000 
1 1 1  -30   16   18 o   28.790   0.3720   29.370   0.5078   28.220   0.5437 1.145000 0.7440000 
1 1 1  -30   16   19 o   10.830   0.6603   10.400   0.9170   11.260   0.9502 -0.8637000 1.321000 
1 1 1  -30   16   20 o   27.870   0.3433   27.960   0.4754   27.790   0.4953 0.1737000 0.6866000 
1 1 1  -30   16   21 o   26.730   0.3446   26.830   0.4801   26.620   0.4944 0.2061000 0.6892000 
1 1 1  -30   16   22 o   17.570   0.4522   17.610   0.6087   17.540   0.6688 0.7351000E-01 0.9043000 
1 1 1  -30   16   23 o   21.010   0.4736   20.820   0.6769   21.200   0.6624 -0.3795000 0.9471000 
1 1 1  -30   16   24 o   4.9480   1.2710   6.0370   1.8890   3.8590   1.6990 2.178000 2.541000 
1 1 1  -30   16   25 o   3.7910   1.1460   3.5320   1.5450   4.0490   1.6950 -0.5165000 2.293000 
1 1 1  -30   16   26 o   6.6600   1.3530   7.1240   1.8480   6.1960   1.9780 0.9282000 2.707000 
1 1 1  -30   16   27 o   3.9840   1.2520   4.3830   1.8690   3.5840   1.6670 0.7991000 2.504000 
1 1 1  -30   16   28 o   6.8640   1.2430   6.5870   1.7430   7.1410   1.7720 -0.5536000 2.486000 
1 1 1  -30   16   29 o   3.4500   1.1210   3.6650   1.6380   3.2340   1.5300 0.4310000 2.242000 
1 1 1  -30   16   30 o   3.6160   1.1560   3.4830   1.5940   3.7490   1.6760 -0.2661000 2.313000 
1 1 1  -30   16   31 o   3.6420   1.1900   3.4220   1.6090   3.8620   1.7530 -0.4393000 2.380000 
1 1 1  -30   16   32 o   2.9160   1.0240   2.5000   1.2690   3.3320   1.6080 -0.8316000 2.048000 
1 1 1  -30   18    1 o   15.260   0.6909   15.000   0.7207   15.520   1.1790 -0.5208000 1.382000 
1 1 1  -30   18    2 o   18.030   0.6045   18.950   0.5889   17.110   1.0560 1.846000 1.209000 
1 1 1  -30   18    3 o   15.300   0.7015   15.870   0.6931   14.720   1.2200 1.153000 1.403000 
1 1 1  -30   18    4 o   22.140   0.5003   21.730   0.5341   22.560   0.8462 -0.8269000 1.001000 
1 1 1  -30   18    5 o   9.2190   1.1580   9.8540   1.0830   8.5840   2.0480 1.270000 2.316000 
1 1 1  -30   18    6 o   29.960   0.4425   31.170   0.4672   28.750   0.7516 2.416000 0.8850000 
1 1 1  -30   18    7 o   16.440   0.5734   15.670   0.7715   17.200   0.8484 -1.532000 1.147000 
1 1 1  -30   18    8 o   28.630   0.3939   28.860   0.5275   28.410   0.5851 0.4451000 0.7878000 
1 1 1  -30   18    9 f   18.590   0.5031   18.970   0.6575   18.210   0.7616 0.7615000 1.006000 
1 1 1  -30   18   10 o   21.990   0.4886   21.390   0.7304   22.590   0.6492 -1.191000 0.9772000 
1 1 1  -30   18   11 o   16.000   0.5616   16.840   0.7137   15.170   0.8673 1.672000 1.123000 
1 1 1  -30   18   12 o   26.330   0.3507   26.180   0.4786   26.490   0.5127 -0.3083000 0.7014000 
1 1 1  -30   18   13 o   16.580   0.4764   16.520   0.6376   16.630   0.7080 -0.1102000 0.9528000 
1 1 1  -30   18   14 o   8.8990   0.9006   8.2430   1.3710   9.5550   1.1680 -1.312000 1.801000 
1 1 1  -30   18   15 f   25.560   0.3985   25.150   0.5506   25.960   0.5761 -0.8120000 0.7969000 
1 1 1  -30   18   16 o   11.530   0.7338   12.260   0.9248   10.800   1.1400 1.462000 1.468000 
1 1 1  -30   18   17 o   9.7030   0.7887   9.8910   1.0510   9.5160   1.1770 0.3749000 1.577000 
1 1 1  -30   18   18 o   3.8990   1.1420   3.3590   1.5010   4.4390   1.7210 -1.080000 2.284000 
1 1 1  -30   18   19 o   15.750   0.5166   15.910   0.7056   15.600   0.7546 0.3058000 1.033000 
1 1 1  -30   18   20 o   21.890   0.3993   21.820   0.5561   21.950   0.5731 -0.1297000 0.7985000 
1 1 1  -30   18   21 f   12.200   0.6512   11.680   0.9208   12.710   0.9211 -1.034000 1.302000 
1 1 1  -30   18   22 o   4.8690   1.3190   5.1330   1.8720   4.6050   1.8570 0.5281000 2.637000 
1 1 1  -30   18   23 o   21.680   0.4938   21.640   0.6912   21.730   0.7055 -0.9219000E-01 0.9877000 
1 1 1  -30   18   24 o   4.0360   1.2580   3.8410   1.7160   4.2300   1.8410 -0.3889000 2.516000 
1 1 1  -30   18   25 o   4.1850   1.2750   4.7630   1.9180   3.6070   1.6780 1.156000 2.549000 
1 1 1  -30   18   26 o   7.9290   1.1130   5.9350   1.7870   9.9230   1.3280 -3.988000 2.226000 
1 1 1  -30   18   27 o   8.2640   1.1290   8.7170   1.4710   7.8100   1.7140 0.9072000 2.259000 
1 1 1  -30   18   28 o   11.690   0.8000   12.460   1.0280   10.910   1.2260 1.558000 1.600000 
1 1 1  -30   18   29 o   6.5550   1.3030   5.8030   1.9010   7.3070   1.7830 -1.504000 2.606000 
1 1 1  -30   18   30 o   9.0470   1.1930   8.5950   1.7600   9.4990   1.6100 -0.9036000 2.386000 
1 1 1  -30   18   31 o   4.0680   1.2450   3.7990   1.6890   4.3380   1.8290 -0.5391000 2.490000 
1 1 1  -30   20    1 o   7.3260   1.0440   6.8690   1.5400   7.7820   1.4110 -0.9129000 2.089000 
1 1 1  -30   20    2 f   13.720   0.5501   13.580   0.7821   13.860   0.7739 -0.2812000 1.100000 
1 1 1  -30   20    3 o   18.910   0.4198   18.360   0.6053   19.460   0.5817 -1.104000 0.8396000 
1 1 1  -30   20    4 o   15.890   0.4772   15.150   0.6952   16.640   0.6540 -1.487000 0.9545000 
1 1 1  -30   20    5 o   8.3820   0.9364   8.7910   1.1810   7.9740   1.4530 0.8165000 1.873000 
1 1 1  -30   20    6 o   33.850   0.3304   33.960   0.4555   33.740   0.4788 0.2186000 0.6609000 
1 1 1  -30   20    7 o   17.520   0.4577   17.130   0.6390   17.910   0.6554 -0.7818000 0.9154000 
1 1 1  -30   20    8 o   28.020   0.3438   28.090   0.4754   27.940   0.4968 0.1519000 0.6876000 
1 1 1  -30   20    9 o   6.5030   1.1180   7.7520   1.3700   5.2530   1.7680 2.499000 2.236000 
1 1 1  -30   20   10 o   11.690   0.6584   12.050   0.8616   11.330   0.9957 0.7109000 1.317000 
1 1 1  -30   20   11 o   11.220   0.6807   11.120   0.9232   11.320   1.0010 -0.2029000 1.361000 
1 1 1  -30   20   12 o   9.1940   0.9768   7.5820   1.5570   10.810   1.1800 -3.223000 1.954000 
1 1 1  -30   20   13 o   16.540   0.5369   16.910   0.7034   16.170   0.8114 0.7316000 1.074000 
1 1 1  -30   20   14 o   8.2340   1.0520   8.2910   1.3770   8.1770   1.5900 0.1136000 2.103000 
1 1 1  -30   20   15 o   10.360   0.7486   10.110   1.0220   10.600   1.0940 -0.4839000 1.497000 
1 1 1  -30   20   16 o   10.570   0.7623   10.570   1.0340   10.580   1.1200 -0.9626000E-02 1.525000 
1 1 1  -30   20   17 o   23.950   0.3936   24.730   0.5395   23.160   0.5732 1.565000 0.7872000 
1 1 1  -30   20   18 o   7.0540   1.1430   6.4640   1.6760   7.6440   1.5540 -1.180000 2.285000 
1 1 1  -30   20   19 o   3.3900   1.0810   3.6190   1.5780   3.1600   1.4780 0.4599000 2.162000 
1 1 1  -30   20   20 o   7.5000   1.2530   7.5180   1.7280   7.4820   1.8140 0.3632000E-01 2.506000 
1 1 1  -30   20   21 o   6.7650   1.3470   5.9900   1.9890   7.5390   1.8180 -1.549000 2.695000 
1 1 1  -30   20   22 o   11.340   0.9694   11.830   1.3020   10.850   1.4370 0.9784000 1.939000 
1 1 1  -30   20   23 o   3.5400   1.1260   3.9890   1.7000   3.0920   1.4780 0.8968000 2.253000 
1 1 1  -30   20   24 o   5.4450   1.2780   6.4760   1.7930   4.4130   1.8220 2.063000 2.556000 
1 1 1  -30   20   25 o   4.6050   1.2590   3.8190   1.6750   5.3900   1.8810 -1.570000 2.518000 
1 1 1  -30   20   26 o   4.8820   1.2480   6.0540   1.8590   3.7110   1.6640 2.343000 2.495000 
1 1 1  -30   20   27 o   5.0470   1.2640   4.0330   1.7330   6.0600   1.8420 -2.027000 2.529000 
1 1 1  -30   20   28 o   4.9520   1.2780   6.4400   1.9770   3.4640   1.6180 2.976000 2.555000 
1 1 1  -30   20   29 o   3.1720   1.0500   3.6050   1.6210   2.7380   1.3360 0.8664000 2.101000 
1 1 1  -30   20   30 o   2.3790   1.2080   2.3790   1.2080  ?   ?       ?      ? 
1 1 1  -30   22    1 o   13.390   0.6765   13.470   0.9411   13.310   0.9719 0.1643000 1.353000 
1 1 1  -30   22    2 o   11.420   0.7706   10.810   1.1480   12.030   1.0280 -1.223000 1.541000 
1 1 1  -30   22    3 o   9.4240   0.9463   9.1530   1.3520   9.6960   1.3240 -0.5434000 1.893000 
1 1 1  -30   22    4 o   11.190   0.8021   12.410   1.0060   9.9640   1.2490 2.448000 1.604000 
1 1 1  -30   22    5 o   23.510   0.4471   23.610   0.6073   23.420   0.6564 0.1857000 0.8943000 
1 1 1  -30   22    6 o   10.870   0.8584   11.410   1.0740   10.320   1.3390 1.088000 1.717000 
1 1 1  -30   22    7 f   12.580   0.7430   13.070   0.9638   12.100   1.1310 0.9713000 1.486000 
1 1 1  -30   22    8 o   21.120   0.4781   21.350   0.6460   20.890   0.7051 0.4562000 0.9563000 
1 1 1  -30   22    9 f   15.090   0.6301   14.920   0.8575   15.260   0.9235 -0.3477000 1.260000 
1 1 1  -30   22   10 o   13.830   0.5861   12.700   0.8502   14.960   0.8069 -2.253000 1.172000 
1 1 1  -30   22   11 o   14.380   0.5541   13.580   0.7813   15.170   0.7859 -1.589000 1.108000 
1 1 1  -30   22   12 f   6.5080   1.1280   7.8960   1.3660   5.1200   1.7940 2.776000 2.255000 
1 1 1  -30   22   13 o   4.3810   1.1710   5.1220   1.7040   3.6400   1.6060 1.482000 2.342000 
1 1 1  -30   22   14 o   22.770   0.4000   22.100   0.5468   23.450   0.5841 -1.349000 0.8001000 
1 1 1  -30   22   15 o   9.5850   0.8650   9.9060   1.0990   9.2650   1.3360 0.6403000 1.730000 
1 1 1  -30   22   16 o   3.0410   1.0120   3.1500   1.4540   2.9310   1.4080 0.2193000 2.024000 
1 1 1  -30   22   17 o   8.6390   0.9991   9.3230   1.1880   7.9550   1.6070 1.368000 1.998000 
1 1 1  -30   22   18 o   8.6790   1.4420   6.2050   2.3550   11.150   1.6630 -4.948000 2.883000 
1 1 1  -30   22   19 o   22.800   0.6920   22.260   1.0590   23.340   0.8915 -1.080000 1.384000 
1 1 1  -30   22   20 f   6.8440   1.3040   4.6150   1.9460   9.0720   1.7360 -4.457000 2.608000 
1 1 1  -30   22   21 o   8.0700   1.1190   6.8860   1.7090   9.2540   1.4460 -2.367000 2.239000 
1 1 1  -30   22   22 o   11.150   0.8324   11.050   1.1510   11.240   1.2030 -0.1952000 1.665000 
1 1 1  -30   22   23 o   3.6800   1.1610   3.9730   1.7090   3.3870   1.5720 0.5868000 2.322000 
1 1 1  -30   22   24 o   6.7440   1.2760   5.7580   1.9100   7.7300   1.6920 -1.971000 2.552000 
1 1 1  -30   22   25 o   3.4970   1.1370   3.2890   1.5400   3.7060   1.6740 -0.4169000 2.275000 
1 1 1  -30   22   26 o   3.9330   1.2270   4.4650   1.8530   3.4010   1.6110 1.064000 2.455000 
1 1 1  -30   22   27 o   5.4030   1.2430   6.6670   1.7720   4.1390   1.7450 2.528000 2.487000 
1 1 1  -30   22   28 o   2.5580   0.8999   2.7890   1.3560   2.3260   1.1830 0.4631000 1.800000 
1 1 1  -30   24    1 o   6.8190   1.1480   5.7030   1.7490   7.9350   1.4860 -2.232000 2.295000 
1 1 1  -30   24    2 o   7.8440   1.0350   6.6250   1.6470   9.0640   1.2540 -2.439000 2.070000 
1 1 1  -30   24    3 o   10.020   0.7862   9.3480   1.1930   10.700   1.0250 -1.348000 1.572000 
1 1 1  -30   24    4 o   6.6760   1.1580   6.5160   1.6490   6.8360   1.6250 -0.3193000 2.315000 
1 1 1  -30   24    5 o   15.660   0.5318   16.080   0.7037   15.230   0.7975 0.8523000 1.064000 
1 1 1  -30   24    6 o   3.0380   1.0060   3.2320   1.4740   2.8440   1.3700 0.3881000 2.013000 
1 1 1  -30   24    7 o   19.390   0.4505   18.730   0.6266   20.040   0.6474 -1.309000 0.9010000 
1 1 1  -30   24    8 o   12.810   0.6584   13.310   0.8380   12.320   1.0160 0.9903000 1.317000 
1 1 1  -30   24    9 o   24.150   0.3993   24.060   0.5360   24.250   0.5921 -0.1973000 0.7987000 
1 1 1  -30   24   10 o   20.650   0.4382   20.620   0.5888   20.670   0.6493 -0.5121000E-01 0.8765000 
1 1 1  -30   24   11 o   12.630   0.6730   12.090   0.9644   13.170   0.9390 -1.084000 1.346000 
1 1 1  -30   24   12 o   9.8270   0.8747   9.4620   1.2180   10.190   1.2550 -0.7313000 1.749000 
1 1 1  -30   24   13 o   5.2170   1.2860   5.0680   1.7730   5.3650   1.8620 -0.2964000 2.571000 
1 1 1  -30   24   14 f   4.9870   1.4030   5.4510   1.9920   4.5240   1.9760 0.9270000 2.806000 
1 1 1  -30   24   15 o   13.260   0.9836   12.760   1.4210   13.770   1.3610 -1.006000 1.967000 
1 1 1  -30   24   16 o   4.7500   1.4580   4.4640   1.9810   5.0370   2.1400 -0.5733000 2.916000 
1 1 1  -30   24   17 o   4.2370   1.2320   4.4280   1.7610   4.0460   1.7240 0.3814000 2.464000 
1 1 1  -30   24   18 o   11.370   0.8086   11.630   1.0660   11.120   1.2160 0.5065000 1.617000 
1 1 1  -30   24   19 o   8.2360   1.1320   7.3500   1.6520   9.1220   1.5480 -1.772000 2.264000 
1 1 1  -30   24   20 o   4.0580   1.2330   3.8890   1.6900   4.2280   1.7950 -0.3395000 2.466000 
1 1 1  -30   24   21 o   5.8590   1.2790   7.2290   1.7680   4.4880   1.8480 2.740000 2.558000 
1 1 1  -30   24   22 o   3.9980   1.1630   2.5680   1.2760   5.4290   1.9450 -2.861000 2.327000 
1 1 1  -30   24   23 o   2.7750   0.9731   2.4290   1.2260   3.1220   1.5120 -0.6923000 1.946000 
1 1 1  -30   24   24 o   3.0750   1.0460   3.6570   1.6750   2.4930   1.2530 1.164000 2.091000 
1 1 1  -30   24   25 f   2.8430   0.9729   2.5670   1.2670   3.1180   1.4770 -0.5515000 1.946000 
1 1 1  -30   24   26 o   2.6860   0.9549   2.6350   1.3380   2.7380   1.3620 -0.1033000 1.910000 
1 1 1  -30   26    1 o   24.750   0.8125   24.750   0.8125  ?   ?       ?      ? 
1 1 1  -30   26    2 o   6.9830   1.3370   6.8450   1.9260   7.1210   1.8560 -0.2754000 2.675000 
1 1 1  -30   26    3 o   3.9870   1.2310   3.8310   1.7160   4.1430   1.7640 -0.3125000 2.461000 
1 1 1  -30   26    4 f   6.5220   1.3460   6.6520   1.9330   6.3920   1.8750 0.2604000 2.693000 
1 1 1  -30   26    5 o   15.400   0.6512   14.640   0.9533   16.160   0.8873 -1.519000 1.302000 
1 1 1  -30   26    6 f   18.170   0.5718   18.050   0.7990   18.290   0.8182 -0.2412000 1.144000 
1 1 1  -30   26    7 o   9.3100   1.1430   10.840   1.3100   7.7820   1.8740 3.056000 2.286000 
1 1 1  -30   26    8 o   6.8650   1.5080   6.0800   2.1700   7.6510   2.0950 -1.571000 3.016000 
1 1 1  -30   26    9 o   15.770   0.8228   15.810   1.1770   15.720   1.1500 0.9064000E-01 1.646000 
1 1 1  -30   26   10 o   5.5870   1.4880   6.6760   2.2160   4.4990   1.9870 2.177000 2.976000 
1 1 1  -30   26   11 o   9.8400   1.0290   9.5610   1.4510   10.120   1.4590 -0.5573000 2.058000 
1 1 1  -30   26   12 o   3.3880   1.1270   3.0890   1.4870   3.6860   1.6940 -0.5964000 2.254000 
1 1 1  -30   26   13 o   9.6390   0.9268   9.4910   1.3040   9.7880   1.3180 -0.2974000 1.854000 
1 1 1  -30   26   14 o   15.670   0.5803   14.560   0.8472   16.770   0.7931 -2.213000 1.161000 
1 1 1  -30   26   15 o   7.1420   1.2480   6.8210   1.7450   7.4630   1.7850 -0.6425000 2.496000 
1 1 1  -30   26   16 f   3.8470   1.1870   3.3430   1.5380   4.3510   1.8100 -1.008000 2.375000 
1 1 1  -30   26   17 o   7.4800   1.1930   5.6910   1.8600   9.2690   1.4930 -3.577000 2.385000 
1 1 1  -30   26   18 o   8.0990   1.2090   5.6240   2.0370   10.570   1.3010 -4.950000 2.417000 
1 1 1  -30   26   19 o   6.9980   1.3790   5.8200   1.9950   8.1760   1.9050 -2.356000 2.759000 
1 1 1  -30   26   20 o   3.2990   1.1130   3.1660   1.5240   3.4320   1.6240 -0.2658000 2.227000 
1 1 1  -30   26   21 o   2.9820   1.0260   2.8190   1.3850   3.1450   1.5130 -0.3258000 2.052000 
1 1 1  -30   26   22 o   3.9590   1.1790   4.6720   1.8000   3.2450   1.5240 1.427000 2.359000 
1 1 1  -30   26   23 o   2.3950   0.8453   2.7040   1.3160   2.0850   1.0610 0.6191000 1.691000 
1 1 1  -30   28    1 f   10.770   0.8401   10.860   1.1770   10.690   1.1990 0.1779000 1.680000 
1 1 1  -30   28    2 o   3.0280   1.0270   3.2890   1.5300   2.7660   1.3710 0.5228000 2.055000 
1 1 1  -30   28    3 o   9.7690   0.9123   9.4910   1.3440   10.050   1.2340 -0.5578000 1.825000 
1 1 1  -30   28    4 o   16.080   0.5589   15.110   0.8308   17.050   0.7479 -1.938000 1.118000 
1 1 1  -30   28    5 o   14.450   0.6112   15.050   0.8144   13.860   0.9115 1.190000 1.222000 
1 1 1  -30   28    6 o   8.7050   1.0260   9.4380   1.3120   7.9720   1.5770 1.466000 2.052000 
1 1 1  -30   28    7 o   11.910   0.7698   13.260   0.9428   10.560   1.2170 2.697000 1.540000 
1 1 1  -30   28    8 o   11.910   0.7557   11.830   1.0510   11.990   1.0860 -0.1524000 1.511000 
1 1 1  -30   28    9 o   3.9200   1.1990   3.8100   1.6600   4.0290   1.7320 -0.2191000 2.399000 
1 1 1  -30   28   10 o   3.6660   1.1580   3.3920   1.5560   3.9410   1.7150 -0.5485000 2.316000 
1 1 1  -30   28   11 o   7.6520   1.1410   5.1970   1.8630   10.110   1.3180 -4.910000 2.283000 
1 1 1  -30   28   12 o   7.7740   1.1840   8.1660   1.5660   7.3820   1.7760 0.7842000 2.368000 
1 1 1  -30   28   13 o   6.3040   1.3370   5.9770   1.8740   6.6320   1.9080 -0.6556000 2.675000 
1 1 1  -30   28   14 o   9.4540   1.0110   9.2850   1.3760   9.6240   1.4810 -0.3398000 2.022000 
1 1 1  -30   28   15 o   4.1050   1.2670   4.3750   1.8380   3.8350   1.7460 0.5401000 2.535000 
1 1 1  -30   28   16 o   2.9100   1.0070   2.9790   1.4460   2.8400   1.4000 0.1388000 2.013000 
1 1 1  -30   28   17 o   3.0930   1.0490   3.5560   1.6390   2.6310   1.3110 0.9243000 2.099000 
1 1 1  -30   28   18 o   2.2320   0.7973   2.1760   1.1010   2.2890   1.1540 -0.1129000 1.595000 
1 1 1  -30   28   19 o   2.5890   0.9029   2.5580   1.2620   2.6200   1.2920 -0.6227000E-01 1.806000 
1 1 1  -30   28   20 o   2.3120   0.8200   2.2180   1.1180   2.4050   1.2000 -0.1866000 1.640000 
1 1 1  -30   30    1 o   4.2120   1.2790   3.2920   1.5670   5.1320   2.0220 -1.840000 2.558000 
1 1 1  -30   30    2 o   3.2060   1.0890   3.3250   1.5740   3.0880   1.5040 0.2370000 2.177000 
1 1 1  -30   30    3 o   3.0590   1.0490   3.2750   1.5550   2.8440   1.4080 0.4309000 2.098000 
1 1 1  -30   30    4 o   3.8080   1.2530   3.3430   1.5720   4.2730   1.9520 -0.9297000 2.506000 
1 1 1  -30   30    5 o   4.2000   1.2210   5.3940   1.9500   3.0050   1.4710 2.389000 2.442000 
1 1 1  -30   30    6 o   3.9670   1.2410   4.2570   1.8100   3.6770   1.6990 0.5795000 2.483000 
1 1 1  -30   30    7 o   5.7550   1.2200   7.9400   1.7800   3.5690   1.6690 4.371000 2.440000 
1 1 1  -30   30    8 o   6.7380   1.3860   7.3670   1.8870   6.1090   2.0310 1.258000 2.773000 
1 1 1  -30   30    9 o   4.4180   1.3140   4.1700   1.8030   4.6660   1.9120 -0.4964000 2.628000 
1 1 1  -30   30   10 o   3.3750   1.1110   4.0160   1.7610   2.7340   1.3540 1.282000 2.221000 
1 1 1  -30   30   11 o   3.8360   1.1930   3.4110   1.5970   4.2610   1.7730 -0.8496000 2.386000 
1 1 1  -30   30   12 o   2.8280   0.9691   3.0830   1.4620   2.5720   1.2720 0.5105000 1.938000 
1 1 1  -30   30   13 o   2.9370   0.9934   2.8300   1.3650   3.0430   1.4440 -0.2127000 1.987000 
1 1 1  -30   30   14 o   2.5460   0.8889   2.6230   1.2870   2.4690   1.2270 0.1541000 1.778000 
1 1 1  -30   30   15 f   3.2740   1.0690   3.5740   1.5970   2.9750   1.4220 0.5986000 2.139000 
1 1 1  -30   30   16 o   2.5850   0.9218   2.8060   1.4060   2.3640   1.1920 0.4423000 1.844000 
1 1 1  -30   32    1 o   7.4930   1.1570   9.4070   1.3370   5.5780   1.8880 3.829000 2.313000 
1 1 1  -30   32    2 o   2.4340   0.8596   2.5270   1.2530   2.3410   1.1770 0.1858000 1.719000 
1 1 1  -30   32    3 o   2.5080   0.8821   2.1340   1.0830   2.8820   1.3930 -0.7473000 1.764000 
1 1 1  -30   32    4 o   2.5950   0.9064   2.8960   1.3890   2.2940   1.1640 0.6021000 1.813000 
1 1 1  -30   32    5 o   2.7330   0.9421   2.6170   1.2840   2.8480   1.3790 -0.2315000 1.884000 
1 1 1  -30   32    6 o   2.7870   0.9554   2.6270   1.2880   2.9480   1.4110 -0.3211000 1.911000 
1 1 1  -30   32    7 o   2.6230   0.9088   1.9760   1.0070   3.2690   1.5130 -1.293000 1.818000 
1 1 1  -30   32    8 o   2.2450   0.7988   2.1430   1.0830   2.3470   1.1740 -0.2048000 1.598000 
1 1 1  -30   32    9 o   2.3230   0.8238   2.0510   1.0420   2.5950   1.2760 -0.5440000 1.648000 
1 1 1  -29    1    1 f   36.740   0.2546   36.930   0.3600   36.550   0.3602 0.3753000 0.5093000 
1 1 1  -29    1    2 o   32.020   0.2649   31.860   0.3743   32.180   0.3750 -0.3170000 0.5298000 
1 1 1  -29    1    3 o   53.190   0.3960   52.530   0.5534   53.850   0.5667 -1.319000 0.7921000 
1 1 1  -29    1    4 o   50.770   0.5406   51.250   0.9427   50.290   0.5297 0.9599000 1.081000 
1 1 1  -29    1    5 o   25.750   0.2708   26.070   0.4303   25.430   0.3290 0.6436000 0.5417000 
1 1 1  -29    1    6 o   20.660   0.3352  ?   ?    20.660   0.3352      ?      ? 
1 1 1  -29    1    7 o   33.970   0.3139   33.530   0.4827   34.420   0.4013 -0.8830000 0.6278000 
1 1 1  -29    1    8 o   19.810   0.2641   19.940   0.4368   19.680   0.2969 0.2583000 0.5282000 
1 1 1  -29    1    9 o   47.480   0.3854   47.870   0.6337   47.080   0.4389 0.7936000 0.7709000 
1 1 1  -29    1   10 f   12.420   0.3983   12.460   0.6325   12.380   0.4844 0.8034000E-01 0.7966000 
1 1 1  -29    1   11 o   60.650   0.4791   61.020   0.5589   60.270   0.7782 0.7545000 0.9581000 
1 1 1  -29    1   12 o   81.500   0.6711   81.250   0.8459   81.750   1.0420 -0.5012000 1.342000 
1 1 1  -29    1   13 o   93.030   0.9687   93.220   0.9688   92.830   1.6780 0.3877000 1.937000 
1 1 1  -29    1   14 o   34.190   0.3321   33.920   0.3852   34.460   0.5411 -0.5484000 0.6642000 
1 1 1  -29    1   15 o  103.700   0.8094  103.700   0.9325  103.700   1.3230 -0.9003000E-02 1.619000 
1 1 1  -29    1   16 o   49.860   0.3742   49.320   0.4815   50.400   0.5728 -1.082000 0.7483000 
1 1 1  -29    1   17 o   39.150   0.4240   39.080   0.5931   39.220   0.6060 -0.1363000 0.8479000 
1 1 1  -29    1   18 o   69.410   0.4542   69.390   0.6422   69.430   0.6425 -0.3872000E-01 0.9084000 
1 1 1  -29    1   19 o   36.000   0.3007   36.130   0.4262   35.860   0.4242 0.2647000 0.6014000 
1 1 1  -29    1   20 o   39.620   0.3128   39.280   0.4426   39.970   0.4421 -0.6876000 0.6256000 
1 1 1  -29    1   21 o   40.140   0.4025   40.130   0.5198   40.140   0.6147 -0.4608000E-02 0.8050000 
1 1 1  -29    1   22 o   44.560   0.3788   44.380   0.5314   44.730   0.5401 -0.3577000 0.7577000 
1 1 1  -29    1   23 o   10.750   0.6292   9.6830   0.9170   11.810   0.8618 -2.131000 1.258000 
1 1 1  -29    1   24 o   10.700   0.5711   10.490   0.8252   10.900   0.7898 -0.4135000 1.142000 
1 1 1  -29    1   25 o   13.990   0.4494   13.950   0.6452   14.040   0.6257 -0.8832000E-01 0.8987000 
1 1 1  -29    1   26 o   8.7470   1.0720   8.5080   1.5540   8.9870   1.4780 -0.4792000 2.144000 
1 1 1  -29    1   27 o   9.0740   0.8223   9.5050   1.1570   8.6430   1.1690 0.8618000 1.645000 
1 1 1  -29    1   28 f   9.2600   0.7103   10.260   0.8893   8.2550   1.1080 2.010000 1.421000 
1 1 1  -29    1   29 o   15.650   0.4483   15.840   0.6205   15.470   0.6471 0.3652000 0.8966000 
1 1 1  -29    1   30 o   9.8670   0.7123   9.8020   0.9999   9.9320   1.0150 -0.1293000 1.425000 
1 1 1  -29    1   31 o   9.4760   0.8080   10.730   0.9631   8.2210   1.2980 2.510000 1.616000 
1 1 1  -29    1   32 o   30.090   0.3455   30.460   0.4898   29.720   0.4874 0.7455000 0.6910000 
1 1 1  -29    1   33 o   8.0200   1.0470   8.8300   1.3330   7.2100   1.6150 1.621000 2.094000 
1 1 1  -29    1   34 o   6.0030   1.4830   5.9640   2.0930   6.0420   2.1000 -0.7813000E-01 2.965000 
1 1 1  -29    1   35 o   7.3040   1.2190   6.4320   1.8460   8.1770   1.5940 -1.745000 2.439000 
1 1 1  -29    1   36 o   2.6960   0.9377   2.8270   1.3770   2.5640   1.2740 0.2626000 1.875000 
1 1 1  -29    1   37 o   2.5170   0.8840   2.7660   1.3510   2.2670   1.1410 0.4995000 1.768000 
1 1 1  -29    3    1 o   24.560   0.2808   24.010   0.4768   25.120   0.2968 -1.111000 0.5616000 
1 1 1  -29    3    2 o   23.650   0.3385   22.710   0.4619   24.600   0.4949 -1.885000 0.6770000 
1 1 1  -29    3    3 o   43.300   0.4178   43.180   0.5861   43.410   0.5957 -0.2235000 0.8357000 
1 1 1  -29    3    4 o   71.230   0.6453   71.000   0.9090   71.450   0.9162 -0.4444000 1.291000 
1 1 1  -29    3    5 o   51.550   0.4815   51.630   0.6805   51.470   0.6814 0.1656000 0.9630000 
1 1 1  -29    3    6 o   79.660   0.5058   79.360   0.7128   79.960   0.7180 -0.6036000 1.012000 
1 1 1  -29    3    7 o   27.300   0.2151   27.510   0.3079   27.100   0.3005 0.4102000 0.4302000 
1 1 1  -29    3    8 o   50.160   0.3812   50.880   0.5459   49.440   0.5321 1.440000 0.7623000 
1 1 1  -29    3    9 o   34.680   0.2509   34.590   0.3564   34.780   0.3534 -0.1892000 0.5019000 
1 1 1  -29    3   10 o   27.350   0.2615   27.390   0.3714   27.300   0.3681 0.8647000E-01 0.5229000 
1 1 1  -29    3   11 o   55.300   0.4169   55.490   0.5920   55.100   0.5870 0.3946000 0.8337000 
1 1 1  -29    3   12 o   89.540   0.5689   89.650   0.8057   89.440   0.8035 0.2057000 1.138000 
1 1 1  -29    3   13 o   70.250   0.5245   70.080   0.7411   70.420   0.7424 -0.3403000 1.049000 
1 1 1  -29    3   14 o   78.080   0.5804   77.600   0.8169   78.560   0.8249 -0.9631000 1.161000 
1 1 1  -29    3   15 o   27.220   0.2822   27.250   0.3957   27.180   0.4025 0.6609000E-01 0.5645000 
1 1 1  -29    3   16 o   21.040   0.4669   19.830   0.7122   22.260   0.6040 -2.436000 0.9339000 
1 1 1  -29    3   17 o   66.330   0.5324   66.910   0.6216   65.760   0.8644 1.146000 1.065000 
1 1 1  -29    3   18 o   23.220   0.3938   23.170   0.4545   23.260   0.6434 -0.9206000E-01 0.7877000 
1 1 1  -29    3   19 o   30.320   0.3625   30.030   0.4257   30.620   0.5869 -0.5908000 0.7250000 
1 1 1  -29    3   20 o   44.330   0.4278   43.750   0.5377   44.920   0.6655 -1.176000 0.8556000 
1 1 1  -29    3   21 o   15.110   0.5124   15.150   0.7139   15.060   0.7353 0.9161000E-01 1.025000 
1 1 1  -29    3   22 o   4.4380   1.1310   3.5490   1.4990   5.3270   1.6930 -1.778000 2.262000 
1 1 1  -29    3   23 o   22.450   0.3246   22.260   0.4584   22.640   0.4597 -0.3833000 0.6492000 
1 1 1  -29    3   24 o   3.7320   1.0430   3.3580   1.4110   4.1070   1.5370 -0.7493000 2.086000 
1 1 1  -29    3   25 o   6.4730   1.0640   7.1380   1.3130   5.8080   1.6760 1.330000 2.129000 
1 1 1  -29    3   26 o   9.0160   0.8084   9.4520   1.0430   8.5800   1.2360 0.8720000 1.617000 
1 1 1  -29    3   27 o   8.0400   0.9890   5.2690   1.7230   10.810   0.9711 -5.541000 1.978000 
1 1 1  -29    3   28 o   14.830   0.4484   14.520   0.6375   15.140   0.6308 -0.6149000 0.8969000 
1 1 1  -29    3   29 o   11.540   0.5929   10.260   0.8993   12.820   0.7730 -2.559000 1.186000 
1 1 1  -29    3   30 o   14.810   0.4890   14.270   0.6948   15.350   0.6884 -1.086000 0.9781000 
1 1 1  -29    3   31 o   12.310   0.6259   11.370   0.9371   13.250   0.8301 -1.880000 1.252000 
1 1 1  -29    3   32 o   6.0170   1.2170   6.6220   1.6540   5.4110   1.7860 1.210000 2.434000 
1 1 1  -29    3   33 o   13.360   0.7282   12.950   1.0850   13.770   0.9713 -0.8183000 1.456000 
1 1 1  -29    3   34 o   7.9170   1.2820   9.9070   1.4280   5.9270   2.1290 3.979000 2.564000 
1 1 1  -29    3   35 o   3.7040   1.1640   3.3830   1.5670   4.0250   1.7210 -0.6422000 2.327000 
1 1 1  -29    3   36 o   3.0020   1.0150   3.2580   1.5260   2.7450   1.3390 0.5127000 2.031000 
1 1 1  -29    3   37 o   3.1750   1.0500   3.6430   1.6310   2.7080   1.3230 0.9347000 2.100000 
1 1 1  -29    5    1 o   55.520   0.5088   55.950   0.7231   55.100   0.7159 0.8543000 1.018000 
1 1 1  -29    5    2 o   51.990   0.6943   51.850   0.9773   52.130   0.9865 -0.2765000 1.389000 
1 1 1  -29    5    3 o   92.060   0.8301   90.600   1.1550   93.510   1.1930 -2.917000 1.660000 
1 1 1  -29    5    4 o   12.250   0.7841   12.200   1.0490   12.310   1.1660 -0.1069000 1.568000 
1 1 1  -29    5    5 o   33.070   0.5228   32.290   0.7245   33.840   0.7539 -1.552000 1.046000 
1 1 1  -29    5    6 o   83.260   0.6101   83.340   0.8632   83.190   0.8622 0.1459000 1.220000 
1 1 1  -29    5    7 o   25.730   0.2453   25.440   0.3420   26.010   0.3518 -0.5754000 0.4907000 
1 1 1  -29    5    8 o   21.120   0.3005   21.460   0.4127   20.780   0.4370 0.6854000 0.6011000 
1 1 1  -29    5    9 o   46.710   0.3155   46.720   0.4475   46.690   0.4448 0.3349000E-01 0.6310000 
1 1 1  -29    5   10 o   56.410   0.3707   56.370   0.5247   56.460   0.5240 -0.8134000E-01 0.7415000 
1 1 1  -29    5   11 o   93.870   0.5961   93.730   0.8419   94.010   0.8442 -0.2722000 1.192000 
1 1 1  -29    5   12 o  104.600   0.6642  104.700   0.9397  104.600   0.9388 0.1382000 1.328000 
1 1 1  -29    5   13 o   84.770   0.6284   85.340   0.8949   84.200   0.8824 1.143000 1.257000 
1 1 1  -29    5   14 o   43.920   0.3711   43.800   0.5263   44.030   0.5232 -0.2376000 0.7421000 
1 1 1  -29    5   15 o   74.330   0.4826   74.460   0.6835   74.200   0.6814 0.2583000 0.9651000 
1 1 1  -29    5   16 o   89.010   0.5711   88.740   0.8051   89.280   0.8101 -0.5435000 1.142000 
1 1 1  -29    5   17 o   56.970   0.3874   56.890   0.5464   57.040   0.5493 -0.1567000 0.7748000 
1 1 1  -29    5   18 f   22.690   0.3644   22.350   0.5520   23.030   0.4760 -0.6820000 0.7289000 
1 1 1  -29    5   19 o   26.510   0.3628   26.680   0.5095   26.350   0.5166 0.3241000 0.7256000 
1 1 1  -29    5   20 o   2.9530   0.9793   2.9990   1.3980   2.9070   1.3710 0.9200000E-01 1.959000 
1 1 1  -29    5   21 o   40.670   0.3916   40.170   0.4485   41.180   0.6420 -1.015000 0.7832000 
1 1 1  -29    5   22 o   6.6260   1.3300   6.1000   1.5070   7.1530   2.1920 -1.053000 2.660000 
1 1 1  -29    5   23 o   3.1950   1.0370   2.4990   1.1960   3.8910   1.6950 -1.391000 2.074000 
1 1 1  -29    5   24 o   25.680   0.3837   25.460   0.4361   25.900   0.6315 -0.4409000 0.7675000 
1 1 1  -29    5   25 o   27.270   0.3930   27.950   0.4744   26.590   0.6266 1.354000 0.7859000 
1 1 1  -29    5   26 o   18.660   0.3636   19.000   0.4882   18.330   0.5389 0.6793000 0.7271000 
1 1 1  -29    5   27 o   11.030   0.6777   10.260   1.0300   11.810   0.8812 -1.548000 1.355000 
1 1 1  -29    5   28 o   18.970   0.3778   19.470   0.5162   18.480   0.5519 0.9814000 0.7556000 
1 1 1  -29    5   29 o   11.730   0.5989   11.380   0.8392   12.080   0.8548 -0.6937000 1.198000 
1 1 1  -29    5   30 o   13.360   0.5553   13.360   0.7793   13.350   0.7914 0.2758000E-02 1.111000 
1 1 1  -29    5   31 o   14.440   0.5548   13.610   0.8130   15.280   0.7551 -1.671000 1.110000 
1 1 1  -29    5   32 o   10.460   0.7946   10.790   1.0870   10.130   1.1600 0.6535000 1.589000 
1 1 1  -29    5   33 o   12.790   0.7719   12.570   1.1290   13.000   1.0530 -0.4313000 1.544000 
1 1 1  -29    5   34 o   14.010   0.7386   15.250   0.9200   12.780   1.1560 2.474000 1.477000 
1 1 1  -29    5   35 o   3.2420   1.0850   3.0640   1.4770   3.4200   1.5900 -0.3552000 2.170000 
1 1 1  -29    5   36 o   4.7310   1.3720   3.8520   1.6880   5.6100   2.1640 -1.757000 2.744000 
1 1 1  -29    5   37 o   2.5770   1.3060   2.5770   1.3060  ?   ?       ?      ? 
1 1 1  -29    7    1 o   72.250   0.5017   71.740   0.6502   72.760   0.7642 -1.016000 1.003000 
1 1 1  -29    7    2 o   22.050   0.2841   21.640   0.4071   22.460   0.3964 -0.8270000 0.5682000 
1 1 1  -29    7    3 o   19.600   0.3678   19.740   0.4212   19.450   0.6032 0.2847000 0.7357000 
1 1 1  -29    7    4 o   56.820   0.3702   57.010   0.5249   56.640   0.5221 0.3678000 0.7404000 
1 1 1  -29    7    5 o   38.890   0.2748   38.650   0.3862   39.130   0.3912 -0.4809000 0.5497000 
1 1 1  -29    7    6 o   56.760   0.3716   57.200   0.5289   56.320   0.5222 0.8741000 0.7433000 
1 1 1  -29    7    7 o   29.950   0.2904   30.270   0.4095   29.620   0.4120 0.6521000 0.5809000 
1 1 1  -29    7    8 o   57.100   0.4352   57.170   0.6161   57.030   0.6149 0.1357000 0.8704000 
1 1 1  -29    7    9 o   8.8250   0.5534   9.0040   0.7243   8.6460   0.8369 0.3580000 1.107000 
1 1 1  -29    7   10 o   59.040   0.3900   58.850   0.5500   59.230   0.5531 -0.3812000 0.7800000 
1 1 1  -29    7   11 o   44.210   0.3173   44.190   0.4469   44.240   0.4505 -0.4821000E-01 0.6346000 
1 1 1  -29    7   12 o   24.780   0.2961   24.710   0.4070   24.850   0.4302 -0.1359000 0.5922000 
1 1 1  -29    7   13 o   42.810   0.3742   42.680   0.5312   42.940   0.5273 -0.2630000 0.7484000 
1 1 1  -29    7   14 o   5.9200   1.0270   4.9640   1.5160   6.8770   1.3870 -1.913000 2.055000 
1 1 1  -29    7   15 o   61.210   0.4098   60.950   0.5763   61.480   0.5828 -0.5330000 0.8197000 
1 1 1  -29    7   16 o   35.070   0.3080   35.240   0.4321   34.890   0.4389 0.3486000 0.6159000 
1 1 1  -29    7   17 o   58.050   0.3963   57.960   0.5602   58.130   0.5607 -0.1673000 0.7926000 
1 1 1  -29    7   18 o   46.200   0.4370   47.000   0.6769   45.400   0.5529 1.601000 0.8740000 
1 1 1  -29    7   19 o   15.020   0.4897   14.490   0.6607   15.550   0.7229 -1.059000 0.9793000 
1 1 1  -29    7   20 o   22.250   0.3373   22.540   0.4670   21.960   0.4867 0.5813000 0.6746000 
1 1 1  -29    7   21 o   15.260   0.4366   15.770   0.5850   14.750   0.6484 1.014000 0.8733000 
1 1 1  -29    7   22 o   36.290   0.3478   36.940   0.4896   35.640   0.4943 1.298000 0.6957000 
1 1 1  -29    7   23 o   12.520   0.5928   13.180   0.7309   11.860   0.9336 1.325000 1.186000 
1 1 1  -29    7   24 o   24.470   0.3692   24.140   0.4979   24.800   0.5452 -0.6591000 0.7384000 
1 1 1  -29    7   25 o   12.580   0.6529   12.200   0.7257   12.960   1.0860 -0.7555000 1.306000 
1 1 1  -29    7   26 o   3.9360   1.2120   4.2100   1.6550   3.6610   1.7710 0.5490000 2.424000 
1 1 1  -29    7   27 o   7.0300   1.3910   7.5710   1.4430   6.4890   2.3770 1.082000 2.781000 
1 1 1  -29    7   28 o   4.3420   1.1930   4.7060   1.5910   3.9790   1.7790 0.7270000 2.387000 
1 1 1  -29    7   29 o   9.3190   0.9714   8.2680   1.1820   10.370   1.5420 -2.102000 1.943000 
1 1 1  -29    7   30 f   6.1570   1.1680   6.1830   1.5940   6.1300   1.7070 0.5286000E-01 2.336000 
1 1 1  -29    7   31 o   16.850   0.4959   16.910   0.6741   16.790   0.7275 0.1194000 0.9918000 
1 1 1  -29    7   32 o   6.8160   1.4560   6.4790   1.9370   7.1530   2.1750 -0.6742000 2.912000 
1 1 1  -29    7   33 o   4.6020   1.2940   2.8680   1.3810   6.3360   2.1880 -3.469000 2.587000 
1 1 1  -29    7   34 o   9.1650   1.2470   8.6400   1.6710   9.6900   1.8500 -1.050000 2.493000 
1 1 1  -29    7   35 o   2.8340   0.9831   2.4640   1.2320   3.2040   1.5330 -0.7393000 1.966000 
1 1 1  -29    7   36 o   2.7370   0.9621   3.0050   1.4690   2.4680   1.2430 0.5369000 1.924000 
1 1 1  -29    9    1 o   48.600   0.3341   48.430   0.4695   48.760   0.4754 -0.3295000 0.6682000 
1 1 1  -29    9    2 o   25.000   0.3188   24.840   0.4516   25.160   0.4502 -0.3167000 0.6377000 
1 1 1  -29    9    3 o   18.600   0.3512   19.470   0.4812   17.730   0.5115 1.745000 0.7023000 
1 1 1  -29    9    4 o   49.150   0.4425   49.940   0.5581   48.350   0.6870 1.585000 0.8851000 
1 1 1  -29    9    5 o   61.560   0.5244   60.360   0.6504   62.760   0.8228 -2.400000 1.049000 
1 1 1  -29    9    6 o   72.090   0.5031   71.740   0.7579   72.430   0.6618 -0.6953000 1.006000 
1 1 1  -29    9    7 o   47.620   0.3314   47.740   0.4674   47.490   0.4699 0.2478000 0.6628000 
1 1 1  -29    9    8 o   20.220   0.3684   19.380   0.5269   21.070   0.5150 -1.691000 0.7368000 
1 1 1  -29    9    9 o   55.010   0.3734   54.760   0.5256   55.260   0.5306 -0.5052000 0.7469000 
1 1 1  -29    9   10 o   55.020   0.3755   55.280   0.5321   54.760   0.5301 0.5204000 0.7511000 
1 1 1  -29    9   11 o   60.710   0.4073   61.080   0.5781   60.330   0.5740 0.7447000 0.8147000 
1 1 1  -29    9   12 o   56.390   0.4508   56.460   0.6393   56.310   0.6358 0.1457000 0.9016000 
1 1 1  -29    9   13 o   76.010   0.4961   75.590   0.6967   76.430   0.7065 -0.8471000 0.9922000 
1 1 1  -29    9   14 o   20.990   0.3692   20.750   0.5031   21.230   0.5404 -0.4836000 0.7384000 
1 1 1  -29    9   15 o   37.400   0.3211   37.020   0.4485   37.780   0.4596 -0.7669000 0.6422000 
1 1 1  -29    9   16 o   26.620   0.4398   26.040   0.5402   27.210   0.6943 -1.171000 0.8797000 
1 1 1  -29    9   17 o   19.960   0.4294   20.160   0.5422   19.750   0.6660 0.4089000 0.8588000 
1 1 1  -29    9   18 o   5.0400   1.1040   3.6700   1.5400   6.4110   1.5820 -2.742000 2.208000 
1 1 1  -29    9   19 o   13.780   0.5006   13.860   0.6855   13.700   0.7296 0.1652000 1.001000 
1 1 1  -29    9   20 o   14.310   0.4963   14.480   0.6885   14.130   0.7149 0.3546000 0.9925000 
1 1 1  -29    9   21 o   28.440   0.3508   28.910   0.4850   27.970   0.5070 0.9409000 0.7016000 
1 1 1  -29    9   22 o   17.320   0.5372   17.800   0.6830   16.840   0.8295 0.9592000 1.074000 
1 1 1  -29    9   23 o   10.750   0.6959   11.380   0.8429   10.110   1.1070 1.271000 1.392000 
1 1 1  -29    9   24 o   13.340   0.4811   13.660   0.6360   13.030   0.7221 0.6315000 0.9623000 
1 1 1  -29    9   25 o   3.3020   1.0070   2.9160   1.3160   3.6880   1.5230 -0.7717000 2.013000 
1 1 1  -29    9   26 o   11.670   0.6848   11.690   0.9841   11.640   0.9526 0.4856000E-01 1.370000 
1 1 1  -29    9   27 o   23.010   0.3529   23.480   0.4778   22.530   0.5194 0.9505000 0.7057000 
1 1 1  -29    9   28 o   3.3260   1.0640   2.6770   1.2730   3.9760   1.7050 -1.299000 2.128000 
1 1 1  -29    9   29 o   3.4680   1.5050   3.4680   1.5050  ?   ?       ?      ? 
1 1 1  -29    9   30 o   15.700   0.7279   15.700   0.7279  ?   ?       ?      ? 
1 1 1  -29    9   31 o   4.4820   1.8790   4.4820   1.8790  ?   ?       ?      ? 
1 1 1  -29    9   32 o   8.1950   1.3290   10.020   1.2530   6.3670   2.3440 3.657000 2.658000 
1 1 1  -29    9   33 o   5.6470   1.2330   3.9570   1.7100   7.3370   1.7760 -3.380000 2.466000 
1 1 1  -29    9   34 o   3.9130   1.2210   4.5140   1.8650   3.3110   1.5770 1.203000 2.442000 
1 1 1  -29    9   35 o   2.7090   0.9393   3.1140   1.4760   2.3050   1.1610 0.8082000 1.879000 
1 1 1  -29    9   36 o   2.6280   0.9461   2.7800   1.3980   2.4760   1.2760 0.3045000 1.892000 
1 1 1  -29   11    1 f   24.300   0.4168   23.890   0.5501   24.710   0.6264 -0.8167000 0.8337000 
1 1 1  -29   11    2 o   64.200   0.4236   65.040   0.6058   63.360   0.5922 1.679000 0.8472000 
1 1 1  -29   11    3 o   38.190   0.3004   38.650   0.4241   37.740   0.4255 0.9138000 0.6008000 
1 1 1  -29   11    4 o   41.250   0.3622   40.040   0.5062   42.460   0.5182 -2.428000 0.7244000 
1 1 1  -29   11    5 o   38.810   0.3064   38.980   0.4282   38.640   0.4383 0.3393000 0.6128000 
1 1 1  -29   11    6 o   83.070   0.5351   82.050   0.7469   84.090   0.7664 -2.035000 1.070000 
1 1 1  -29   11    7 o   11.570   0.5888   11.170   0.8066   11.960   0.8579 -0.7889000 1.178000 
1 1 1  -29   11    8 o   50.140   0.3576   49.840   0.4990   50.430   0.5123 -0.5809000 0.7152000 
1 1 1  -29   11    9 o   74.160   0.4860   74.340   0.6885   73.990   0.6862 0.3488000 0.9721000 
1 1 1  -29   11   10 o   97.570   0.7244   97.290   1.0220   97.860   1.0270 -0.5682000 1.449000 
1 1 1  -29   11   11 o   36.150   0.3852   36.460   0.5487   35.830   0.5409 0.6283000 0.7704000 
1 1 1  -29   11   12 o   54.530   0.3838   54.730   0.5426   54.340   0.5429 0.3888000 0.7676000 
1 1 1  -29   11   13 o   70.430   0.5407   70.380   0.7633   70.480   0.7660 -0.9824000E-01 1.081000 
1 1 1  -29   11   14 o   58.600   0.4702   57.710   0.6569   59.490   0.6730 -1.780000 0.9405000 
1 1 1  -29   11   15 o   14.810   0.5298   14.490   0.7363   15.140   0.7619 -0.6476000 1.060000 
1 1 1  -29   11   16 o   13.570   0.5562   13.790   0.7551   13.340   0.8168 0.4513000 1.112000 
1 1 1  -29   11   17 o   50.450   0.3667   50.530   0.5165   50.360   0.5207 0.1659000 0.7334000 
1 1 1  -29   11   18 o   11.450   0.6173   10.940   0.8819   11.950   0.8640 -1.002000 1.235000 
1 1 1  -29   11   19 o   6.0200   1.0890   6.8640   1.4120   5.1760   1.6580 1.688000 2.178000 
1 1 1  -29   11   20 o   27.630   0.4094   26.540   0.5195   28.720   0.6330 -2.188000 0.8188000 
1 1 1  -29   11   21 o   8.8830   1.0050   8.6890   1.3610   9.0760   1.4780 -0.3870000 2.009000 
1 1 1  -29   11   22 o   4.9620   1.1440   4.5000   1.5970   5.4240   1.6380 -0.9242000 2.287000 
1 1 1  -29   11   23 o   15.940   0.4344   15.750   0.5906   16.130   0.6373 -0.3792000 0.8689000 
1 1 1  -29   11   24 o   10.670   0.7110   11.900   0.7567   9.4370   1.2040 2.466000 1.422000 
1 1 1  -29   11   25 o   6.8930   1.1410   7.4600   1.2430   6.3270   1.9140 1.133000 2.282000 
1 1 1  -29   11   26 o   11.900   0.7233   11.950   0.9224   11.850   1.1140 0.9905000E-01 1.447000 
1 1 1  -29   11   27 o   9.6250   0.9205   10.070   0.9770   9.1830   1.5600 0.8850000 1.841000 
1 1 1  -29   11   28 o   10.800   0.7329   10.200   0.9784   11.400   1.0910 -1.201000 1.466000 
1 1 1  -29   11   29 o   5.7190   1.2070   6.6400   1.6290   4.7980   1.7800 1.843000 2.413000 
1 1 1  -29   11   30 o   5.2100   1.2600   3.5600   1.6540   6.8610   1.9030 -3.301000 2.521000 
1 1 1  -29   11   31 o   4.0450   1.2130   3.6340   1.6300   4.4550   1.7980 -0.8209000 2.426000 
1 1 1  -29   11   32 o   4.7690   1.2650   5.7820   1.8580   3.7560   1.7160 2.026000 2.529000 
1 1 1  -29   11   33 o   3.4090   1.1410   3.5310   1.6020   3.2870   1.6240 0.2443000 2.281000 
1 1 1  -29   11   34 o   3.5850   1.2290   3.2710   1.5580   3.8990   1.9000 -0.6279000 2.458000 
1 1 1  -29   11   35 f   2.5460   0.9097   2.5110   1.2640   2.5820   1.3080 -0.7139000E-01 1.819000 
1 1 1  -29   13    1 o   52.700   0.4316   52.730   0.6081   52.680   0.6127 0.4996000E-01 0.8632000 
1 1 1  -29   13    2 o   26.210   0.5217   26.520   0.7273   25.900   0.7481 0.6166000 1.043000 
1 1 1  -29   13    3 o   41.320   0.3293   41.040   0.4591   41.590   0.4723 -0.5443000 0.6587000 
1 1 1  -29   13    4 o   60.320   0.4438   60.390   0.5770   60.250   0.6744 0.1419000 0.8875000 
1 1 1  -29   13    5 o   49.510   0.4193   49.270   0.5909   49.750   0.5951 -0.4825000 0.8387000 
1 1 1  -29   13    6 o   30.350   0.3815   29.920   0.5269   30.780   0.5519 -0.8578000 0.7631000 
1 1 1  -29   13    7 o   14.320   0.6495   14.140   0.8918   14.490   0.9445 -0.3493000 1.299000 
1 1 1  -29   13    8 o   20.330   0.5878   20.260   0.8004   20.410   0.8610 -0.1500000 1.176000 
1 1 1  -29   13    9 o   30.560   0.4848   30.770   0.6621   30.340   0.7084 0.4285000 0.9697000 
1 1 1  -29   13   10 o   75.990   0.6449   75.580   0.9944   76.400   0.8214 -0.8223000 1.290000 
1 1 1  -29   13   11 o   40.750   0.3975   40.870   0.5570   40.640   0.5672 0.2209000 0.7950000 
1 1 1  -29   13   12 o   21.530   0.4175   22.060   0.5712   21.000   0.6091 1.058000 0.8350000 
1 1 1  -29   13   13 o   19.260   0.4952   20.020   0.5891   18.510   0.7963 1.505000 0.9905000 
1 1 1  -29   13   14 o   30.830   0.3416   30.770   0.4779   30.890   0.4882 -0.1154000 0.6832000 
1 1 1  -29   13   15 o   27.240   0.3484   27.860   0.4812   26.630   0.5038 1.226000 0.6967000 
1 1 1  -29   13   16 o   30.030   0.3326   30.510   0.4586   29.540   0.4819 0.9704000 0.6652000 
1 1 1  -29   13   17 o   38.200   0.3266   37.970   0.4580   38.440   0.4658 -0.4753000 0.6533000 
1 1 1  -29   13   18 o   10.670   0.8106   11.870   0.9183   9.4690   1.3360 2.406000 1.621000 
1 1 1  -29   13   19 o   44.830   0.5531   45.580   0.5634   44.080   0.9519 1.494000 1.106000 
1 1 1  -29   13   20 o   16.170   0.5350   16.680   0.6315   15.660   0.8638 1.022000 1.070000 
1 1 1  -29   13   21 o   29.980   0.3827   30.860   0.4492   29.110   0.6198 1.746000 0.7654000 
1 1 1  -29   13   22 o   18.040   0.4780   17.650   0.5669   18.430   0.7697 -0.7828000 0.9560000 
1 1 1  -29   13   23 o   4.7970   1.2040   3.5090   1.4870   6.0840   1.8950 -2.575000 2.409000 
1 1 1  -29   13   24 o   12.040   0.5913   11.780   0.8007   12.290   0.8702 -0.5041000 1.183000 
1 1 1  -29   13   25 o   13.570   0.6456   13.380   0.9372   13.760   0.8882 -0.3818000 1.291000 
1 1 1  -29   13   26 o   25.010   0.3631   24.980   0.5064   25.040   0.5205 -0.5729000E-01 0.7263000 
1 1 1  -29   13   27 o   9.3670   0.8578   10.340   1.0390   8.3980   1.3650 1.937000 1.716000 
1 1 1  -29   13   28 o   5.0950   1.1580   7.1240   1.8060   3.0660   1.4500 4.058000 2.315000 
1 1 1  -29   13   29 o   16.400   0.6420   16.390   0.8995   16.420   0.9163 -0.2263000E-01 1.284000 
1 1 1  -29   13   30 o   5.6670   1.3030   6.4070   1.8060   4.9270   1.8780 1.479000 2.605000 
1 1 1  -29   13   31 o   2.9710   1.0060   2.6180   1.2860   3.3250   1.5470 -0.7071000 2.011000 
1 1 1  -29   13   32 o   3.2790   1.0810   3.2790   1.5260   3.2800   1.5310 -0.6466000E-03 2.162000 
1 1 1  -29   13   33 o   3.7390   1.2390   3.5370   1.6850   3.9420   1.8170 -0.4045000 2.478000 
1 1 1  -29   13   34 o   2.3890   0.8546   2.3550   1.1930   2.4230   1.2240 -0.6844000E-01 1.709000 
1 1 1  -29   15    1 o   53.470   0.3821   53.130   0.5361   53.810   0.5446 -0.6801000 0.7642000 
1 1 1  -29   15    2 o   33.990   0.3657   34.610   0.5562   33.360   0.4748 1.246000 0.7313000 
1 1 1  -29   15    3 o   18.210   0.4564   18.520   0.6216   17.900   0.6685 0.6161000 0.9129000 
1 1 1  -29   15    4 o   31.340   0.3339   31.520   0.4659   31.170   0.4784 0.3409000 0.6678000 
1 1 1  -29   15    5 o   41.950   0.3436   41.800   0.4766   42.110   0.4950 -0.3118000 0.6872000 
1 1 1  -29   15    6 o   49.240   0.3675   49.720   0.5162   48.770   0.5231 0.9433000 0.7349000 
1 1 1  -29   15    7 o   45.480   0.3547   45.440   0.4930   45.520   0.5102 -0.8156000E-01 0.7095000 
1 1 1  -29   15    8 o   43.230   0.3476   43.230   0.4823   43.240   0.5007 -0.1204000E-01 0.6952000 
1 1 1  -29   15    9 o   42.880   0.3492   42.580   0.4824   43.190   0.5051 -0.6064000 0.6985000 
1 1 1  -29   15   10 o   12.310   0.6663   12.370   0.8815   12.240   0.9995 0.1358000 1.333000 
1 1 1  -29   15   11 o   16.190   0.5125   16.610   0.6651   15.780   0.7800 0.8282000 1.025000 
1 1 1  -29   15   12 o   9.6920   0.8586   9.9640   1.1550   9.4200   1.2710 0.5438000 1.717000 
1 1 1  -29   15   13 o   7.4420   1.0830   9.3630   1.2250   5.5200   1.7850 3.843000 2.165000 
1 1 1  -29   15   14 o   27.190   0.4950   27.190   0.4950  ?   ?       ?      ? 
1 1 1  -29   15   15 o   25.110   0.5484   26.310   0.5581   23.910   0.9442 2.403000 1.097000 
1 1 1  -29   15   16 o   23.600   0.5556   23.990   0.5856   23.200   0.9444 0.7873000 1.111000 
1 1 1  -29   15   17 o   7.1870   1.3540   7.9950   1.4710   6.3790   2.2730 1.616000 2.708000 
1 1 1  -29   15   18 f   13.990   0.6336   13.120   0.8391   14.860   0.9496 -1.743000 1.267000 
1 1 1  -29   15   19 o   21.330   0.4122   21.330   0.5518   21.320   0.6124 0.6168000E-02 0.8243000 
1 1 1  -29   15   20 o   14.070   0.5184   13.910   0.6958   14.220   0.7688 -0.3068000 1.037000 
1 1 1  -29   15   21 o   15.610   0.4732   15.920   0.6227   15.290   0.7127 0.6279000 0.9464000 
1 1 1  -29   15   22 o   6.6070   1.0810   7.1050   1.3790   6.1100   1.6650 0.9950000 2.162000 
1 1 1  -29   15   23 o   13.430   0.5526   13.520   0.7511   13.340   0.8107 0.1755000 1.105000 
1 1 1  -29   15   24 o   31.580   0.3967   31.600   0.5665   31.560   0.5554 0.4190000E-01 0.7934000 
1 1 1  -29   15   25 o   3.6970   1.1130   4.2020   1.6650   3.1930   1.4790 1.009000 2.227000 
1 1 1  -29   15   26 f   14.940   0.5522   14.720   0.7548   15.150   0.8063 -0.4316000 1.104000 
1 1 1  -29   15   27 o   8.8750   1.1560   8.9710   1.5660   8.7790   1.7000 0.1926000 2.312000 
1 1 1  -29   15   28 o   3.2100   1.0740   2.5890   1.2720   3.8320   1.7310 -1.243000 2.148000 
1 1 1  -29   15   29 o   17.850   0.5286   17.620   0.7159   18.090   0.7779 -0.4668000 1.057000 
1 1 1  -29   15   30 o   6.3360   1.3150   6.7160   1.7950   5.9560   1.9210 0.7599000 2.629000 
1 1 1  -29   15   31 o   3.9490   1.2020   3.5690   1.6110   4.3300   1.7840 -0.7614000 2.404000 
1 1 1  -29   15   32 o   2.8270   1.0000   3.0210   1.4960   2.6330   1.3290 0.3879000 2.001000 
1 1 1  -29   15   33 o   3.6480   1.1650   4.3030   1.8360   2.9920   1.4340 1.311000 2.330000 
1 1 1  -29   17    1 o   31.100   0.3406   31.090   0.4773   31.110   0.4859 -0.2209000E-01 0.6811000 
1 1 1  -29   17    2 o   23.060   0.3843   22.810   0.5370   23.310   0.5498 -0.5038000 0.7685000 
1 1 1  -29   17    3 o   15.570   0.5175   15.880   0.7001   15.260   0.7623 0.6130000 1.035000 
1 1 1  -29   17    4 o   32.680   0.3295   32.540   0.4611   32.810   0.4707 -0.2666000 0.6589000 
1 1 1  -29   17    5 o   10.790   0.7561   10.700   1.0120   10.880   1.1240 -0.1828000 1.512000 
1 1 1  -29   17    6 o   27.800   0.3568   28.100   0.4758   27.500   0.5318 0.6002000 0.7136000 
1 1 1  -29   17    7 o   17.230   0.5373   17.780   0.6397   16.680   0.8635 1.107000 1.075000 
1 1 1  -29   17    8 o   38.270   0.4146   38.260   0.4660   38.280   0.6860 -0.2148000E-01 0.8293000 
1 1 1  -29   17    9 f   21.350   0.5092   22.210   0.5386   20.490   0.8645 1.729000 1.018000 
1 1 1  -29   17   10 o   14.460   0.6854   15.150   0.7190   13.780   1.1670 1.368000 1.371000 
1 1 1  -29   17   11 o   21.480   0.6453   21.880   0.6112   21.080   1.1370 0.7998000 1.291000 
1 1 1  -29   17   12 o   28.080   0.5443   27.940   0.5209   28.220   0.9559 -0.2813000 1.089000 
1 1 1  -29   17   13 o   33.640   0.4606   33.420   0.6293   33.870   0.6728 -0.4545000 0.9212000 
1 1 1  -29   17   14 o   19.370   0.4352   18.870   0.6258   19.860   0.6049 -0.9919000 0.8703000 
1 1 1  -29   17   15 o   43.050   0.3471   43.120   0.4899   42.980   0.4918 0.1417000 0.6941000 
1 1 1  -29   17   16 o   15.880   0.5309   15.840   0.7188   15.930   0.7817 -0.8574000E-01 1.062000 
1 1 1  -29   17   17 f   15.950   0.5335   16.420   0.7023   15.490   0.8033 0.9327000 1.067000 
1 1 1  -29   17   18 o   8.8970   0.8468   8.4880   1.2150   9.3060   1.1800 -0.8182000 1.694000 
1 1 1  -29   17   19 o   20.370   0.4043   20.190   0.5511   20.540   0.5917 -0.3519000 0.8086000 
1 1 1  -29   17   20 f   13.460   0.5755   14.010   0.7592   12.910   0.8651 1.094000 1.151000 
1 1 1  -29   17   21 o   12.770   0.6081   13.270   0.7994   12.280   0.9165 0.9916000 1.216000 
1 1 1  -29   17   22 o   5.2270   1.1750   4.0900   1.6300   6.3650   1.6930 -2.275000 2.350000 
1 1 1  -29   17   23 o   23.610   0.4513   23.170   0.6475   24.050   0.6289 -0.8802000 0.9026000 
1 1 1  -29   17   24 o   7.0100   1.1510   7.2790   1.5250   6.7410   1.7230 0.5382000 2.301000 
1 1 1  -29   17   25 o   8.5560   1.1760   7.4940   1.7740   9.6190   1.5450 -2.125000 2.353000 
1 1 1  -29   17   26 o   9.6340   1.0980   9.0410   1.6380   10.230   1.4640 -1.186000 2.197000 
1 1 1  -29   17   27 o   3.3850   1.0960   3.5880   1.5860   3.1810   1.5140 0.4073000 2.193000 
1 1 1  -29   17   28 o   3.6980   1.1620   3.4660   1.5820   3.9310   1.7010 -0.4656000 2.323000 
1 1 1  -29   17   29 o   5.9770   1.2770   4.6970   1.8390   7.2580   1.7720 -2.561000 2.554000 
1 1 1  -29   17   30 o   4.7760   1.2900   5.2430   1.8570   4.3090   1.7920 0.9348000 2.580000 
1 1 1  -29   17   31 o   2.7870   0.9811   2.9410   1.4430   2.6330   1.3290 0.3073000 1.962000 
1 1 1  -29   17   32 o   2.9820   1.0230   3.3490   1.5790   2.6150   1.3010 0.7347000 2.046000 
1 1 1  -29   19    1 o   8.8410   1.5140   7.0180   1.7050   10.660   2.5030 -3.646000 3.028000 
1 1 1  -29   19    2 o   4.5080   1.4010   4.3170   1.7450   4.6990   2.1930 -0.3820000 2.802000 
1 1 1  -29   19    3 o   8.0490   1.5610   7.4080   1.6210   8.6890   2.6680 -1.281000 3.121000 
1 1 1  -29   19    4 o   22.090   0.6906   21.510   0.5997   22.660   1.2440 -1.142000 1.381000 
1 1 1  -29   19    5 o   7.8460   1.5550   7.5790   1.5470   8.1130   2.6990 -0.5341000 3.111000 
1 1 1  -29   19    6 o   19.830   0.5795   20.860   0.6109   18.800   0.9849 2.068000 1.159000 
1 1 1  -29   19    7 o   20.350   0.4747   19.880   0.6434   20.810   0.6981 -0.9281000 0.9494000 
1 1 1  -29   19    8 o   22.820   0.3846   23.050   0.5245   22.590   0.5626 0.4558000 0.7691000 
1 1 1  -29   19    9 o   23.340   0.3769   23.480   0.5114   23.200   0.5539 0.2776000 0.7539000 
1 1 1  -29   19   10 o   24.170   0.3650   23.890   0.5064   24.440   0.5258 -0.5466000 0.7300000 
1 1 1  -29   19   11 o   4.5060   1.1980   4.7850   1.6910   4.2260   1.6980 0.5595000 2.396000 
1 1 1  -29   19   12 o   22.660   0.3759   22.770   0.5033   22.550   0.5583 0.2208000 0.7517000 
1 1 1  -29   19   13 o   34.230   0.3581   34.210   0.4545   34.240   0.5535 -0.2561000E-01 0.7162000 
1 1 1  -29   19   14 o   18.950   0.4829   19.230   0.6391   18.670   0.7242 0.5670000 0.9658000 
1 1 1  -29   19   15 o   15.260   0.5578   14.840   0.7720   15.680   0.8054 -0.8439000 1.116000 
1 1 1  -29   19   16 o   3.2970   1.0450   3.7670   1.5890   2.8280   1.3560 0.9385000 2.089000 
1 1 1  -29   19   17 o   14.600   0.5599   15.320   0.7334   13.890   0.8461 1.421000 1.120000 
1 1 1  -29   19   18 o   15.000   0.5444   14.900   0.7431   15.090   0.7958 -0.1979000 1.089000 
1 1 1  -29   19   19 o   6.1450   1.1870   6.7760   1.5670   5.5140   1.7840 1.262000 2.375000 
1 1 1  -29   19   20 o   10.890   0.7387   11.410   0.9418   10.370   1.1380 1.038000 1.477000 
1 1 1  -29   19   21 o   18.030   0.5522   17.940   0.7695   18.120   0.7921 -0.1829000 1.104000 
1 1 1  -29   19   22 o   15.830   0.6397   15.850   0.8903   15.810   0.9189 0.3097000E-01 1.279000 
1 1 1  -29   19   23 o   18.360   0.5993   16.980   0.8900   19.740   0.8028 -2.752000 1.199000 
1 1 1  -29   19   24 o   12.710   0.8431   13.030   1.1150   12.390   1.2650 0.6379000 1.686000 
1 1 1  -29   19   25 o   3.5920   1.1410   3.1210   1.4660   4.0620   1.7490 -0.9408000 2.282000 
1 1 1  -29   19   26 o   8.5160   1.0870   7.9420   1.6140   9.0890   1.4570 -1.147000 2.174000 
1 1 1  -29   19   27 o   3.0310   1.0260   2.8850   1.3970   3.1770   1.5040 -0.2913000 2.053000 
1 1 1  -29   19   28 o   6.5340   1.2910   5.4670   1.9150   7.6000   1.7330 -2.132000 2.583000 
1 1 1  -29   19   29 o   3.5120   1.1610   3.6270   1.6740   3.3960   1.6090 0.2306000 2.321000 
1 1 1  -29   19   30 o   2.7880   0.9582   3.4170   1.5690   2.1590   1.1010 1.258000 1.916000 
1 1 1  -29   21    1 o   12.080   0.6645   10.150   1.0630   14.010   0.7973 -3.862000 1.329000 
1 1 1  -29   21    2 o   18.820   0.4235   19.090   0.5850   18.560   0.6124 0.5307000 0.8469000 
1 1 1  -29   21    3 o   18.680   0.4265   18.170   0.6090   19.190   0.5973 -1.012000 0.8531000 
1 1 1  -29   21    4 o   23.670   0.3604   23.720   0.5039   23.610   0.5153 0.1097000 0.7207000 
1 1 1  -29   21    5 o   45.610   0.3550   45.300   0.4927   45.910   0.5112 -0.6068000 0.7100000 
1 1 1  -29   21    6 o   26.710   0.3506   26.870   0.4770   26.560   0.5139 0.3024000 0.7012000 
1 1 1  -29   21    7 o   10.360   0.7461   9.6910   1.0690   11.040   1.0410 -1.347000 1.492000 
1 1 1  -29   21    8 o   17.350   0.5168   17.630   0.6288   17.080   0.8204 0.5563000 1.034000 
1 1 1  -29   21    9 o   12.910   0.7037   12.810   0.9537   13.010   1.0350 -0.1968000 1.407000 
1 1 1  -29   21   10 o   15.970   0.5740   15.570   0.7958   16.370   0.8275 -0.7988000 1.148000 
1 1 1  -29   21   11 o   18.850   0.5040   19.200   0.6707   18.490   0.7525 0.7031000 1.008000 
1 1 1  -29   21   12 o   14.570   0.5777   15.060   0.8136   14.080   0.8204 0.9784000 1.155000 
1 1 1  -29   21   13 o   12.040   0.6451   11.460   0.8999   12.620   0.9244 -1.154000 1.290000 
1 1 1  -29   21   14 o   15.950   0.5076   16.060   0.6671   15.840   0.7654 0.2229000 1.015000 
1 1 1  -29   21   15 o   9.8430   0.7914   8.9850   1.1380   10.700   1.1000 -1.717000 1.583000 
1 1 1  -29   21   16 o   6.0830   1.1870   6.6130   1.5650   5.5540   1.7850 1.059000 2.374000 
1 1 1  -29   21   17 o   17.180   0.5048   17.140   0.6986   17.230   0.7288 -0.8730000E-01 1.010000 
1 1 1  -29   21   18 o   20.650   0.4406   20.400   0.6171   20.910   0.6291 -0.5165000 0.8812000 
1 1 1  -29   21   19 o   13.130   0.7580   13.830   1.0130   12.440   1.1280 1.396000 1.516000 
1 1 1  -29   21   20 o   17.710   0.8351   16.430   1.3350   18.990   1.0030 -2.558000 1.670000 
1 1 1  -29   21   21 o   5.0740   1.3700   6.0770   2.0560   4.0710   1.8100 2.007000 2.739000 
1 1 1  -29   21   22 o   4.8730   1.2960   5.1570   1.8320   4.5880   1.8350 0.5692000 2.593000 
1 1 1  -29   21   23 o   5.2860   1.2190   6.7220   1.7570   3.8500   1.6900 2.871000 2.438000 
1 1 1  -29   21   24 o   5.3700   1.3320   5.6950   1.8980   5.0450   1.8680 0.6498000 2.663000 
1 1 1  -29   21   25 o   7.8520   1.1790   7.4630   1.7300   8.2410   1.6030 -0.7777000 2.358000 
1 1 1  -29   21   26 o   4.1990   1.2550   4.3290   1.8040   4.0690   1.7450 0.2597000 2.510000 
1 1 1  -29   21   27 o   6.7550   1.4310   5.9990   2.1640   7.5110   1.8720 -1.512000 2.862000 
1 1 1  -29   21   28 o   3.1890   1.0590   3.5210   1.5980   2.8580   1.3890 0.6623000 2.117000 
1 1 1  -29   21   29 o   2.2550   0.8111   1.9940   1.0220   2.5150   1.2600 -0.5208000 1.622000 
1 1 1  -29   23    1 o   11.810   0.6598   11.940   0.9100   11.690   0.9557 0.2520000 1.320000 
1 1 1  -29   23    2 o   6.1550   1.1600   5.3250   1.7180   6.9850   1.5580 -1.660000 2.320000 
1 1 1  -29   23    3 o   11.100   0.6897   10.900   0.9667   11.300   0.9839 -0.3963000 1.379000 
1 1 1  -29   23    4 o   3.9840   1.1340   3.2110   1.4640   4.7570   1.7310 -1.546000 2.267000 
1 1 1  -29   23    5 o   7.6070   1.0630   6.6820   1.5860   8.5320   1.4170 -1.851000 2.127000 
1 1 1  -29   23    6 o   11.190   0.7147   11.570   0.9292   10.800   1.0860 0.7737000 1.429000 
1 1 1  -29   23    7 o   18.450   0.4527   18.430   0.6074   18.480   0.6714 -0.5491000E-01 0.9054000 
1 1 1  -29   23    8 o   15.210   0.5421   15.590   0.7023   14.830   0.8259 0.7578000 1.084000 
1 1 1  -29   23    9 o   4.2420   1.1840   4.7810   1.7180   3.7040   1.6290 1.078000 2.368000 
1 1 1  -29   23   10 o   7.1270   1.1330   6.1580   1.6890   8.0960   1.5130 -1.938000 2.267000 
1 1 1  -29   23   11 f   6.8340   1.1010   8.6700   1.2570   4.9980   1.8070 3.672000 2.201000 
1 1 1  -29   23   12 o   10.190   0.8450   11.360   0.9852   9.0170   1.3730 2.345000 1.690000 
1 1 1  -29   23   13 o   16.920   0.5130   17.590   0.6673   16.240   0.7793 1.348000 1.026000 
1 1 1  -29   23   14 o   5.6760   1.1640   7.1160   1.5290   4.2360   1.7550 2.880000 2.328000 
1 1 1  -29   23   15 o   9.4980   0.9056   9.4590   1.1690   9.5380   1.3830 -0.7975000E-01 1.811000 
1 1 1  -29   23   16 o   16.540   0.6159   17.030   0.8236   16.040   0.9160 0.9879000 1.232000 
1 1 1  -29   23   17 o   3.7840   1.2620   4.0450   1.8710   3.5220   1.6940 0.5225000 2.524000 
1 1 1  -29   23   18 o   9.4250   1.1590   7.9580   1.8190   10.890   1.4360 -2.935000 2.317000 
1 1 1  -29   23   19 o   20.740   0.5135   20.410   0.6712   21.080   0.7773 -0.6713000 1.027000 
1 1 1  -29   23   20 o   12.960   0.7208   13.230   0.9503   12.690   1.0840 0.5374000 1.442000 
1 1 1  -29   23   21 o   5.6260   1.3610   5.2670   1.8870   5.9850   1.9620 -0.7183000 2.722000 
1 1 1  -29   23   22 o   5.2230   1.3280   5.8530   1.8830   4.5930   1.8740 1.260000 2.656000 
1 1 1  -29   23   23 f   5.8510   1.2980   7.1730   1.8100   4.5300   1.8610 2.642000 2.596000 
1 1 1  -29   23   24 o   9.5530   1.1770   12.280   1.2060   6.8290   2.0210 5.450000 2.353000 
1 1 1  -29   23   25 o   5.6390   1.4150   5.4620   1.9900   5.8160   2.0120 -0.3542000 2.830000 
1 1 1  -29   23   26 o   2.6670   0.9261   2.8360   1.3730   2.4980   1.2440 0.3382000 1.852000 
1 1 1  -29   23   27 o   2.8080   0.9663   2.3610   1.1820   3.2540   1.5290 -0.8923000 1.933000 
1 1 1  -29   25    1 o   2.9820   1.0000   3.0760   1.4410   2.8890   1.3880 0.1868000 2.000000 
1 1 1  -29   25    2 o   7.5680   1.1010   7.2770   1.5880   7.8590   1.5260 -0.5824000 2.202000 
1 1 1  -29   25    3 o   7.8710   1.0550   6.6490   1.6740   9.0930   1.2840 -2.444000 2.110000 
1 1 1  -29   25    4 o   21.830   0.4126   21.430   0.5908   22.240   0.5760 -0.8123000 0.8251000 
1 1 1  -29   25    5 o   13.410   0.6341   14.400   0.8029   12.420   0.9818 1.983000 1.268000 
1 1 1  -29   25    6 o   13.070   0.6472   13.580   0.8384   12.560   0.9861 1.026000 1.294000 
1 1 1  -29   25    7 o   13.360   0.6404   12.670   0.9182   14.050   0.8930 -1.380000 1.281000 
1 1 1  -29   25    8 o   16.430   0.5325   16.040   0.7335   16.830   0.7720 -0.7941000 1.065000 
1 1 1  -29   25    9 o   6.2570   1.2620   5.8220   1.7760   6.6920   1.7950 -0.8700000 2.525000 
1 1 1  -29   25   10 o   8.2170   1.0710   8.0790   1.4790   8.3540   1.5500 -0.2755000 2.143000 
1 1 1  -29   25   11 o   13.100   0.9085   14.330   1.0640   11.880   1.4730 2.446000 1.817000 
1 1 1  -29   25   12 o   6.6270   1.4860   8.3380   2.1290   4.9160   2.0750 3.422000 2.973000 
1 1 1  -29   25   13 o   16.230   0.8326   16.560   1.1690   15.910   1.1860 0.6474000 1.665000 
1 1 1  -29   25   14 o   18.720   0.7301   18.870   1.0190   18.560   1.0460 0.3089000 1.460000 
1 1 1  -29   25   15 o   6.8170   1.2450   6.2400   1.7980   7.3930   1.7230 -1.153000 2.490000 
1 1 1  -29   25   16 o   11.120   0.7899   11.370   1.0630   10.870   1.1690 0.5034000 1.580000 
1 1 1  -29   25   17 o   4.4950   1.2320   5.4110   1.8500   3.5790   1.6290 1.832000 2.465000 
1 1 1  -29   25   18 o   4.8280   1.3160   5.0350   1.8500   4.6220   1.8710 0.4130000 2.632000 
1 1 1  -29   25   19 o   5.3840   1.3140   6.1350   1.8590   4.6330   1.8590 1.502000 2.629000 
1 1 1  -29   25   20 o   9.9980   0.9722   11.330   1.1390   8.6710   1.5760 2.655000 1.944000 
1 1 1  -29   25   21 o   3.9790   1.2450   3.1570   1.5220   4.8010   1.9710 -1.644000 2.491000 
1 1 1  -29   25   22 o   3.9560   1.2530   3.8720   1.7450   4.0400   1.8000 -0.1684000 2.507000 
1 1 1  -29   25   23 o   7.9360   1.1490   9.0000   1.4180   6.8720   1.8090 2.128000 2.299000 
1 1 1  -29   25   24 o   4.6600   1.2060   5.8960   1.8300   3.4240   1.5720 2.472000 2.412000 
1 1 1  -29   25   25 f   2.4630   0.8847   2.5090   1.2790   2.4170   1.2230 0.9281000E-01 1.769000 
1 1 1  -29   27    1 o   13.720   0.9430   14.000   1.2980   13.440   1.3680 0.5558000 1.886000 
1 1 1  -29   27    2 o   7.9920   1.3960   10.310   1.7230   5.6740   2.1960 4.636000 2.792000 
1 1 1  -29   27    3 o   14.290   0.8825   13.720   1.2880   14.860   1.2070 -1.143000 1.765000 
1 1 1  -29   27    4 o   6.5110   1.5120   7.4520   2.1370   5.5700   2.1410 1.882000 3.024000 
1 1 1  -29   27    5 o   8.0240   1.3920   10.050   1.7330   5.9970   2.1780 4.055000 2.783000 
1 1 1  -29   27    6 o   12.880   0.8320   14.780   0.9504   10.980   1.3660 3.797000 1.664000 
1 1 1  -29   27    7 o   11.780   0.8965   9.9450   1.4170   13.610   1.0980 -3.666000 1.793000 
1 1 1  -29   27    8 o   4.7540   1.2670   3.8730   1.6700   5.6350   1.9060 -1.762000 2.534000 
1 1 1  -29   27    9 o   6.5130   1.2820   7.1260   1.7220   5.9000   1.8990 1.226000 2.564000 
1 1 1  -29   27   10 o   9.7200   0.9307   8.9860   1.3880   10.450   1.2400 -1.469000 1.861000 
1 1 1  -29   27   11 o   6.0270   1.2830   6.8600   1.7550   5.1940   1.8710 1.667000 2.566000 
1 1 1  -29   27   12 o   4.6550   1.2890   4.8340   1.8380   4.4760   1.8090 0.3578000 2.579000 
1 1 1  -29   27   13 o   6.2830   1.3240   5.9110   1.8700   6.6550   1.8750 -0.7441000 2.649000 
1 1 1  -29   27   14 o   10.040   0.9228   10.280   1.2200   9.7970   1.3850 0.4794000 1.846000 
1 1 1  -29   27   15 o   15.280   0.6080   16.200   0.7804   14.370   0.9326 1.831000 1.216000 
1 1 1  -29   27   16 o   2.4520   0.8671   2.3240   1.1680   2.5790   1.2820 -0.2553000 1.734000 
1 1 1  -29   27   17 o   4.8010   1.3160   5.3770   1.8710   4.2240   1.8500 1.153000 2.631000 
1 1 1  -29   27   18 o   3.8730   1.2360   4.0510   1.7810   3.6950   1.7140 0.3557000 2.472000 
1 1 1  -29   27   19 o   3.6240   1.1800   3.1630   1.5160   4.0860   1.8070 -0.9232000 2.359000 
1 1 1  -29   27   20 o   3.0450   1.0250   3.2620   1.5190   2.8270   1.3750 0.4353000 2.049000 
1 1 1  -29   27   21 o   2.3100   0.8211   2.4730   1.2290   2.1460   1.0890 0.3264000 1.642000 
1 1 1  -29   27   22 o   2.4810   0.8714   2.5800   1.2690   2.3830   1.1950 0.1966000 1.743000 
1 1 1  -29   29    1 o   3.4390   1.1220   3.6000   1.6320   3.2780   1.5410 0.3228000 2.244000 
1 1 1  -29   29    2 f   6.4140   1.2910   7.1900   1.7550   5.6380   1.8940 1.552000 2.582000 
1 1 1  -29   29    3 o   3.5370   1.1100   2.6640   1.3120   4.4090   1.7900 -1.745000 2.219000 
1 1 1  -29   29    4 o   4.6020   1.2110   3.3130   1.5340   5.8910   1.8750 -2.579000 2.423000 
1 1 1  -29   29    5 o   3.7480   1.1550   2.9930   1.4290   4.5040   1.8150 -1.511000 2.310000 
1 1 1  -29   29    6 o   4.8270   1.2690   5.5530   1.8480   4.1020   1.7400 1.450000 2.538000 
1 1 1  -29   29    7 o   12.350   0.7635   13.330   0.9532   11.380   1.1930 1.951000 1.527000 
1 1 1  -29   29    8 o   20.920   0.4826   21.620   0.6316   20.220   0.7299 1.398000 0.9652000 
1 1 1  -29   29    9 o   15.700   0.5970   16.290   0.7698   15.110   0.9128 1.185000 1.194000 
1 1 1  -29   29   10 o   4.1090   1.2150   4.6860   1.8080   3.5330   1.6230 1.153000 2.430000 
1 1 1  -29   29   11 o   7.7310   1.2040   7.8830   1.6320   7.5790   1.7720 0.3034000 2.409000 
1 1 1  -29   29   12 f   6.0260   1.3280   7.4390   1.8360   4.6120   1.9190 2.827000 2.656000 
1 1 1  -29   29   13 f   5.3120   1.3970   5.4040   1.9580   5.2210   1.9950 0.1834000 2.795000 
1 1 1  -29   29   14 o   2.8990   1.0020   2.9700   1.4420   2.8280   1.3920 0.1423000 2.004000 
1 1 1  -29   29   15 o   2.4270   0.8605   2.0730   1.0550   2.7820   1.3600 -0.7090000 1.721000 
1 1 1  -29   29   16 o   3.2920   1.0790   3.2990   1.5250   3.2860   1.5260 0.1340000E-01 2.157000 
1 1 1  -29   29   17 o   2.3000   0.8170   2.3850   1.1910   2.2160   1.1190 0.1687000 1.634000 
1 1 1  -29   29   18 o   3.5850   1.1270   3.3130   1.5160   3.8570   1.6670 -0.5439000 2.254000 
1 1 1  -29   29   19 o   2.2100   1.1460  ?   ?    2.2100   1.1460      ?      ? 
1 1 1  -29   31    1 o   9.0580   1.1930   8.9600   1.6670   9.1550   1.7060 -0.1952000 2.385000 
1 1 1  -29   31    2 o   2.8160   0.9852   2.5200   1.2660   3.1120   1.5100 -0.5917000 1.970000 
1 1 1  -29   31    3 o   3.1870   1.0820   3.3710   1.5900   3.0030   1.4680 0.3683000 2.164000 
1 1 1  -29   31    4 o   4.8880   1.3390   5.9010   1.9750   3.8750   1.8080 2.026000 2.678000 
1 1 1  -29   31    5 o   3.2040   1.0790   2.6800   1.3290   3.7290   1.7000 -1.049000 2.158000 
1 1 1  -29   31    6 f   4.5040   1.2400   3.4890   1.5900   5.5180   1.9040 -2.029000 2.480000 
1 1 1  -29   31    7 o   6.3410   1.3000   6.8160   1.7800   5.8670   1.8960 0.9494000 2.600000 
1 1 1  -29   31    8 o   3.1140   1.0340   2.5470   1.2620   3.6820   1.6400 -1.135000 2.069000 
1 1 1  -29   31    9 o   3.0320   1.0200   3.1740   1.4870   2.8900   1.3950 0.2833000 2.039000 
1 1 1  -29   31   10 o   2.7010   0.9341   2.4990   1.2380   2.9040   1.3990 -0.4048000 1.868000 
1 1 1  -29   31   11 o   2.6040   0.9071   2.8030   1.3590   2.4050   1.2020 0.3976000 1.814000 
1 1 1  -29   31   12 o   1.9240   0.6956   1.9470   0.9946   1.9000   0.9727 0.4777000E-01 1.391000 
1 1 1  -29   31   13 o   2.4900   0.8744   2.3540   1.1790   2.6260   1.2920 -0.2722000 1.749000 
1 1 1  -29   31   14 o   1.8740   0.9754   1.8740   0.9754  ?   ?       ?      ? 
1 1 1  -28    0    1 o   26.470   0.4253   26.470   0.4253   26.470   0.4253 0.000000 0.000000 
1 1 1  -28    0    2 o   29.970   0.4438   29.970   0.4438   29.970   0.4438 -0.000000 0.000000 
1 1 1  -28    0    3 o   25.530   0.2876   25.530   0.2876   25.530   0.2876 -0.000000 0.000000 
1 1 1  -28    0    4 o   48.870   0.5168   48.870   0.5168   48.870   0.5168 -0.000000 0.000000 
1 1 1  -28    0    5 o   91.480   1.1590   91.480   1.1590   91.480   1.1590 0.000000 0.000000 
1 1 1  -28    0    6 o   97.010   1.2260   97.010   1.2260   97.010   1.2260 -0.000000 0.000000 
1 1 1  -28    0    7 o   51.000   0.5403   51.000   0.5403   51.000   0.5403 0.000000 0.000000 
1 1 1  -28    0    8 o   42.840   0.4031   42.840   0.4031   42.840   0.4031 -0.000000 0.000000 
1 1 1  -28    0    9 o   27.150   0.3558   27.150   0.3558   27.150   0.3558 -0.000000 0.000000 
1 1 1  -28    0   10 f   37.780   0.4290   37.780   0.4290   37.780   0.4290 0.000000 0.000000 
1 1 1  -28    0   11 o   24.040   0.3735   24.040   0.3735   24.040   0.3735 0.000000 0.000000 
1 1 1  -28    0   12 o  143.300   2.5690  143.300   2.5690  143.300   2.5690 -0.000000 0.000000 
1 1 1  -28    0   13 o  160.400   2.8810  160.400   2.8810  160.400   2.8810 0.000000 0.000000 
1 1 1  -28    0   14 o   22.340   0.5302   22.340   0.5302   22.340   0.5302 -0.000000 0.000000 
1 1 1  -28    0   15 o   56.340   0.7512   56.340   0.7512   56.340   0.7512 0.000000 0.000000 
1 1 1  -28    0   16 o   14.260   0.7947   14.260   0.7947   14.260   0.7947 0.000000 0.000000 
1 1 1  -28    0   17 o   3.1880   1.9130   3.1880   1.9130   3.1880   1.9130 -0.000000 0.000000 
1 1 1  -28    0   18 f   51.040   0.5015   51.040   0.5015   51.040   0.5015 0.000000 0.000000 
1 1 1  -28    0   19 o   21.690   0.4704   21.690   0.4704   21.690   0.4704 0.000000 0.000000 
1 1 1  -28    0   20 o   27.670   0.4373   27.670   0.4373   27.670   0.4373 -0.000000 0.000000 
1 1 1  -28    0   21 o   15.700   0.7833   15.700   0.7833   15.700   0.7833 -0.000000 0.000000 
1 1 1  -28    0   22 o   56.970   0.7732   56.970   0.7732   56.970   0.7732 0.000000 0.000000 
1 1 1  -28    0   23 o   25.840   0.4363   25.840   0.4363   25.840   0.4363 -0.000000 0.000000 
1 1 1  -28    0   24 o   21.740   0.4637   21.740   0.4637   21.740   0.4637 0.000000 0.000000 
1 1 1  -28    0   25 o   2.1480   1.4350   2.1480   1.4350   2.1480   1.4350 0.000000 0.000000 
1 1 1  -28    0   26 o   6.5760   2.2190   6.5760   2.2190   6.5760   2.2190 0.000000 0.000000 
1 1 1  -28    0   27 o   1.9020   1.3180   1.9020   1.3180   1.9020   1.3180 -0.000000 0.000000 
1 1 1  -28    0   28 o   1.8080   1.2690   1.8080   1.2690   1.8080   1.2690 -0.000000 0.000000 
1 1 1  -28    0   29 o   14.300   0.6759   14.300   0.6759   14.300   0.6759 -0.000000 0.000000 
1 1 1  -28    0   30 o   13.630   0.7229   13.630   0.7229   13.630   0.7229 -0.000000 0.000000 
1 1 1  -28    0   31 o   4.1710   2.0370   4.1710   2.0370   4.1710   2.0370 -0.000000 0.000000 
1 1 1  -28    0   32 o   13.110   0.8687   13.110   0.8687   13.110   0.8687 0.000000 0.000000 
1 1 1  -28    0   33 o   10.170   1.1860   10.170   1.1860   10.170   1.1860 -0.000000 0.000000 
1 1 1  -28    0   34 o   13.660   1.2680   13.660   1.2680   13.660   1.2680 0.000000 0.000000 
1 1 1  -28    0   35 o   2.9580   1.8870   2.9580   1.8870   2.9580   1.8870 -0.000000 0.000000 
1 1 1  -28    0   36 o   3.6480   2.1230   3.6480   2.1230   3.6480   2.1230 0.000000 0.000000 
1 1 1  -28    0   37 o   2.3060   1.5920   2.3060   1.5920   2.3060   1.5920 0.000000 0.000000 
1 1 1  -28    2    1 o   36.950   0.2538   36.790   0.3568   37.120   0.3611 -0.3236000 0.5076000 
1 1 1  -28    2    2 o   26.500   0.2334   26.570   0.3402   26.440   0.3195 0.1282000 0.4667000 
1 1 1  -28    2    3 o   36.380   0.2884   36.080   0.4041   36.680   0.4117 -0.5913000 0.5769000 
1 1 1  -28    2    4 o   24.120   0.2562   23.580   0.4323   24.650   0.2750 -1.074000 0.5124000 
1 1 1  -28    2    5 o   58.290   0.4597   58.110   0.7512   58.470   0.5302 -0.3504000 0.9195000 
1 1 1  -28    2    6 o   40.810   0.3568   41.860   0.5691   39.760   0.4306 2.101000 0.7136000 
1 1 1  -28    2    7 o   38.720   0.4358  ?   ?    38.720   0.4358      ?      ? 
1 1 1  -28    2    8 o   19.540   0.2920   19.820   0.4568   19.260   0.3640 0.5619000 0.5841000 
1 1 1  -28    2    9 o   22.710   0.2692   22.560   0.4476   22.850   0.2991 -0.2890000 0.5383000 
1 1 1  -28    2   10 o   79.790   0.6222   79.510   1.0150   80.060   0.7194 -0.5544000 1.244000 
1 1 1  -28    2   11 o   38.340   0.4376   37.950   0.7557   38.720   0.4416 -0.7718000 0.8752000 
1 1 1  -28    2   12 o   9.8940   0.4300   9.4950   0.6382   10.290   0.5765 -0.7966000 0.8600000 
1 1 1  -28    2   13 o   54.670   0.4183   54.820   0.5953   54.520   0.5878 0.2976000 0.8366000 
1 1 1  -28    2   14 o   69.650   0.4500   70.000   0.6397   69.300   0.6330 0.6984000 0.9000000 
1 1 1  -28    2   15 o   50.840   0.3471   50.850   0.4916   50.820   0.4902 0.2983000E-01 0.6943000 
1 1 1  -28    2   16 o   40.980   0.3056   41.140   0.4327   40.820   0.4316 0.3193000 0.6111000 
1 1 1  -28    2   17 o   32.230   0.3503   32.140   0.4112   32.320   0.5672 -0.1802000 0.7006000 
1 1 1  -28    2   18 o   62.560   0.5090   62.450   0.5872   62.660   0.8317 -0.2121000 1.018000 
1 1 1  -28    2   19 o   41.670   0.3885   41.100   0.4500   42.230   0.6334 -1.123000 0.7770000 
1 1 1  -28    2   20 o   16.460   0.5060   16.520   0.5872   16.410   0.8243 0.1076000 1.012000 
1 1 1  -28    2   21 o   30.190   0.3933   29.930   0.4993   30.450   0.6079 -0.5279000 0.7866000 
1 1 1  -28    2   22 o   27.300   0.3550   27.390   0.4811   27.220   0.5220 0.1721000 0.7099000 
1 1 1  -28    2   23 o   18.390   0.3663   18.920   0.5042   17.860   0.5315 1.064000 0.7326000 
1 1 1  -28    2   24 o   17.190   0.3813   16.960   0.5403   17.420   0.5382 -0.4589000 0.7626000 
1 1 1  -28    2   25 o   10.860   0.5861   9.9130   0.8816   11.810   0.7726 -1.897000 1.172000 
1 1 1  -28    2   26 o   11.990   0.7955   11.180   1.1670   12.800   1.0820 -1.618000 1.591000 
1 1 1  -28    2   27 o   8.7740   0.8824   8.2100   1.3420   9.3370   1.1460 -1.127000 1.765000 
1 1 1  -28    2   28 o   7.8580   0.8366   8.4280   1.0460   7.2890   1.3060 1.139000 1.673000 
1 1 1  -28    2   29 o   9.9390   0.6790   9.7560   0.9649   10.120   0.9555 -0.3650000 1.358000 
1 1 1  -28    2   30 o   10.700   0.6541   10.080   0.9528   11.320   0.8965 -1.239000 1.308000 
1 1 1  -28    2   31 o   10.360   0.7228   10.710   0.9781   10.020   1.0650 0.6967000 1.446000 
1 1 1  -28    2   32 o   6.5910   1.1600   7.7360   1.5050   5.4450   1.7640 2.291000 2.319000 
1 1 1  -28    2   33 o   18.750   0.5210   19.270   0.7869   18.230   0.6831 1.037000 1.042000 
1 1 1  -28    2   34 o   9.9160   1.2000   9.9870   1.7350   9.8440   1.6580 0.1436000 2.400000 
1 1 1  -28    2   35 o   3.2930   1.0820   3.0930   1.4670   3.4940   1.5920 -0.4014000 2.165000 
1 1 1  -28    2   36 o   2.7230   0.9436   2.9460   1.4190   2.5000   1.2440 0.4464000 1.887000 
1 1 1  -28    2   37 o   3.1190   1.0410   3.4460   1.5800   2.7930   1.3560 0.6528000 2.082000 
1 1 1  -28    4    1 o   78.670   0.6135   78.190   0.9994   79.150   0.7118 -0.9584000 1.227000 
1 1 1  -28    4    2 o   76.870   0.8538   76.780   0.9812   76.950   1.3980 -0.1723000 1.708000 
1 1 1  -28    4    3 o   58.420   0.5384   58.130   0.7565   58.710   0.7663 -0.5878000 1.077000 
1 1 1  -28    4    4 o   68.280   0.6216   66.430   0.8556   70.140   0.9021 -3.718000 1.243000 
1 1 1  -28    4    5 o   25.550   0.3460   24.420   0.4832   26.680   0.4952 -2.259000 0.6919000 
1 1 1  -28    4    6 o   62.380   0.4003   61.690   0.5604   63.070   0.5719 -1.378000 0.8007000 
1 1 1  -28    4    7 o   99.730   0.6309  100.100   0.8956   99.390   0.8888 0.6773000 1.262000 
1 1 1  -28    4    8 o   54.320   0.4983   53.400   0.6930   55.230   0.7161 -1.832000 0.9965000 
1 1 1  -28    4    9 o   51.540   0.3888   51.790   0.5531   51.290   0.5465 0.4974000 0.7775000 
1 1 1  -28    4   10 o   98.470   0.7197   99.030   1.0240   97.910   1.0120 1.129000 1.439000 
1 1 1  -28    4   11 o  102.200   0.6474  102.300   0.9165  102.100   0.9145 0.2066000 1.295000 
1 1 1  -28    4   12 o  106.600   0.6749  106.700   0.9559  106.400   0.9529 0.3333000 1.350000 
1 1 1  -28    4   13 o   34.250   0.3186   33.950   0.4545   34.540   0.4467 -0.5849000 0.6372000 
1 1 1  -28    4   14 o   45.250   0.3714   45.590   0.5297   44.910   0.5207 0.6775000 0.7428000 
1 1 1  -28    4   15 o   53.250   0.3619   53.390   0.5128   53.120   0.5108 0.2681000 0.7238000 
1 1 1  -28    4   16 o   56.630   0.3818   56.720   0.5398   56.550   0.5402 0.1695000 0.7637000 
1 1 1  -28    4   17 o   54.440   0.4009   54.510   0.6039   54.360   0.5274 0.1472000 0.8018000 
1 1 1  -28    4   18 o   51.950   0.3616   52.110   0.5122   51.780   0.5105 0.3259000 0.7232000 
1 1 1  -28    4   19 o   8.9100   0.7571   7.8240   1.1760   9.9950   0.9541 -2.170000 1.514000 
1 1 1  -28    4   20 o   5.6980   1.1420   4.3150   1.6900   7.0810   1.5350 -2.766000 2.283000 
1 1 1  -28    4   21 o   16.920   0.4091   17.100   0.5634   16.730   0.5932 0.3687000 0.8181000 
1 1 1  -28    4   22 o   8.6540   1.2090   9.3500   1.0410   7.9580   2.1820 1.392000 2.418000 
1 1 1  -28    4   23 o   10.190   0.7583   9.9180   0.8840   10.470   1.2320 -0.5522000 1.517000 
1 1 1  -28    4   24 o   26.110   0.3783   26.270   0.4208   25.960   0.6288 0.3123000 0.7567000 
1 1 1  -28    4   25 f   3.2160   1.0310   3.4800   1.4930   2.9510   1.4240 0.5294000 2.063000 
1 1 1  -28    4   26 o   13.400   0.6021   13.040   0.6735   13.760   0.9982 -0.7168000 1.204000 
1 1 1  -28    4   27 o   26.780   0.3673   27.150   0.5196   26.420   0.5191 0.7348000 0.7345000 
1 1 1  -28    4   28 o   16.430   0.4119   16.220   0.5868   16.640   0.5781 -0.4210000 0.8238000 
1 1 1  -28    4   29 o   11.170   0.5999   10.570   0.8880   11.780   0.8069 -1.212000 1.200000 
1 1 1  -28    4   30 o   9.7330   0.7356   9.5130   1.0410   9.9520   1.0400 -0.4387000 1.471000 
1 1 1  -28    4   31 o   22.030   0.3899   22.120   0.5402   21.940   0.5624 0.1838000 0.7798000 
1 1 1  -28    4   32 o   4.9370   1.2440   4.3180   1.7220   5.5570   1.7950 -1.239000 2.487000 
1 1 1  -28    4   33 o   11.740   0.8499   12.550   1.1570   10.930   1.2450 1.617000 1.700000 
1 1 1  -28    4   34 o   9.2060   1.0810   9.6150   1.3810   8.7960   1.6630 0.8190000 2.162000 
1 1 1  -28    4   35 o   3.3100   1.0880   3.5840   1.6150   3.0370   1.4570 0.5465000 2.175000 
1 1 1  -28    4   36 o   3.1740   1.0570   3.3740   1.5580   2.9740   1.4300 0.3991000 2.114000 
1 1 1  -28    4   37 o   2.6330   0.9283   2.3130   1.1700   2.9530   1.4420 -0.6394000 1.857000 
1 1 1  -28    6    1 o   26.030   0.2724   26.310   0.3877   25.760   0.3828 0.5541000 0.5448000 
1 1 1  -28    6    2 o   65.470   0.4830   65.840   0.6872   65.100   0.6789 0.7380000 0.9659000 
1 1 1  -28    6    3 o   33.640   0.3111   35.080   0.4997   32.210   0.3706 2.866000 0.6222000 
1 1 1  -28    6    4 o   36.990   0.3325   37.950   0.5272   36.040   0.4054 1.913000 0.6651000 
1 1 1  -28    6    5 f   77.920   0.5721   77.040   0.8000   78.800   0.8182 -1.764000 1.144000 
1 1 1  -28    6    6 o   28.330   0.2982   27.340   0.4683   29.310   0.3691 -1.973000 0.5963000 
1 1 1  -28    6    7 o   64.490   0.4812   65.430   0.6900   63.540   0.6708 1.889000 0.9624000 
1 1 1  -28    6    8 o   32.230   0.2915   32.240   0.4126   32.220   0.4119 0.1927000E-01 0.5830000 
1 1 1  -28    6    9 o   78.640   0.5027   78.680   0.7114   78.600   0.7105 0.7807000E-01 1.005000 
1 1 1  -28    6   10 o   22.170   0.3059   22.400   0.4118   21.940   0.4523 0.4614000 0.6117000 
1 1 1  -28    6   11 o  117.300   0.7424  117.300   1.0490  117.400   1.0500 -0.9968000E-01 1.485000 
1 1 1  -28    6   12 o   27.630   0.2708   27.490   0.3803   27.780   0.3856 -0.2980000 0.5416000 
1 1 1  -28    6   13 o   37.610   0.3456   38.290   0.4949   36.930   0.4826 1.358000 0.6912000 
1 1 1  -28    6   14 o   28.400   0.3122   28.090   0.4016   28.720   0.4781 -0.6288000 0.6244000 
1 1 1  -28    6   15 o   43.130   0.3664   42.060   0.5068   44.200   0.5293 -2.140000 0.7329000 
1 1 1  -28    6   16 o   48.430   0.3459   48.620   0.4903   48.230   0.4881 0.3861000 0.6918000 
1 1 1  -28    6   17 o   76.760   0.4993   76.740   0.7058   76.770   0.7065 -0.2498000E-01 0.9986000 
1 1 1  -28    6   18 o   18.940   0.4417   18.590   0.6298   19.290   0.6194 -0.6946000 0.8833000 
1 1 1  -28    6   19 o   38.220   0.3614   38.080   0.5105   38.360   0.5117 -0.2807000 0.7228000 
1 1 1  -28    6   20 o   7.7550   0.8898   6.1450   1.4690   9.3640   1.0050 -3.219000 1.780000 
1 1 1  -28    6   21 o   6.1160   1.0350   6.5760   1.3840   5.6560   1.5400 0.9197000 2.070000 
1 1 1  -28    6   22 o   5.5330   1.1670   5.3400   1.6480   5.7250   1.6530 -0.3853000 2.334000 
1 1 1  -28    6   23 o   27.660   0.3297   27.680   0.4952   27.650   0.4354 0.2967000E-01 0.6594000 
1 1 1  -28    6   24 o   20.380   0.4009   20.410   0.5417   20.350   0.5911 0.5405000E-01 0.8017000 
1 1 1  -28    6   25 o   32.420   0.3054   32.400   0.4268   32.440   0.4368 -0.4446000E-01 0.6107000 
1 1 1  -28    6   26 o   17.910   0.6496   18.450   0.6439   17.380   1.1280 1.066000 1.299000 
1 1 1  -28    6   27 o   6.5940   1.3480   7.2230   1.4990   5.9650   2.2410 1.258000 2.696000 
1 1 1  -28    6   28 o   5.3980   1.2750   4.8030   1.5730   5.9940   2.0070 -1.191000 2.551000 
1 1 1  -28    6   29 o   14.240   0.6312   14.340   0.6819   14.140   1.0620 0.1966000 1.262000 
1 1 1  -28    6   30 o   19.150   0.4725   20.130   0.5546   18.160   0.7652 1.967000 0.9450000 
1 1 1  -28    6   31 o   12.200   0.6562   11.800   0.9210   12.590   0.9349 -0.7912000 1.312000 
1 1 1  -28    6   32 o   5.0400   1.3010   4.1990   1.7860   5.8810   1.8920 -1.683000 2.602000 
1 1 1  -28    6   33 o   5.3110   1.3300   4.2970   1.8230   6.3240   1.9370 -2.027000 2.660000 
1 1 1  -28    6   34 o   6.8600   1.3360   8.0290   1.7480   5.6910   2.0220 2.338000 2.673000 
1 1 1  -28    6   35 o   5.8520   1.3200   5.9770   1.8350   5.7280   1.8990 0.2490000 2.640000 
1 1 1  -28    6   36 o   4.2710   1.2940   4.5420   1.8190   4.0010   1.8390 0.5412000 2.587000 
1 1 1  -28    8    1 o   40.460   0.3772   40.100   0.4794   40.810   0.5826 -0.7146000 0.7544000 
1 1 1  -28    8    2 o   39.710   0.3332   39.030   0.4656   40.390   0.4767 -1.363000 0.6663000 
1 1 1  -28    8    3 f   75.570   0.6276   76.190   0.7981   74.940   0.9687 1.244000 1.255000 
1 1 1  -28    8    4 o   31.330   0.3032   31.330   0.4251   31.330   0.4326 0.3611000E-02 0.6064000 
1 1 1  -28    8    5 o   69.690   0.5196   69.560   0.7330   69.830   0.7366 -0.2692000 1.039000 
1 1 1  -28    8    6 o   43.380   0.4989   43.380   0.4989  ?   ?       ?      ? 
1 1 1  -28    8    7 o   88.870   0.6121   89.240   0.9289   88.500   0.7974 0.7341000 1.224000 
1 1 1  -28    8    8 o   66.070   0.4648   66.650   0.7068   65.480   0.6037 1.168000 0.9296000 
1 1 1  -28    8    9 o   50.130   0.3437   49.780   0.4832   50.480   0.4889 -0.6969000 0.6873000 
1 1 1  -28    8   10 o   66.090   0.4325   66.440   0.6146   65.740   0.6087 0.6984000 0.8650000 
1 1 1  -28    8   11 o   91.280   0.5839   91.450   0.8267   91.110   0.8249 0.3441000 1.168000 
1 1 1  -28    8   12 o   22.890   0.3942   22.500   0.5731   23.280   0.5416 -0.7742000 0.7885000 
1 1 1  -28    8   13 o   50.140   0.4122   50.340   0.5849   49.940   0.5810 0.4027000 0.8244000 
1 1 1  -28    8   14 o   21.070   0.3479   20.980   0.4778   21.160   0.5057 -0.1741000 0.6957000 
1 1 1  -28    8   15 o   68.410   0.4518   68.500   0.6386   68.330   0.6393 0.1763000 0.9036000 
1 1 1  -28    8   16 o   16.560   0.4493   17.160   0.5834   15.950   0.6835 1.214000 0.8986000 
1 1 1  -28    8   17 o   53.380   0.4360   53.470   0.6180   53.290   0.6153 0.1732000 0.8721000 
1 1 1  -28    8   18 o   16.280   0.4598   15.900   0.6501   16.670   0.6504 -0.7640000 0.9196000 
1 1 1  -28    8   19 o   24.800   0.3367   25.330   0.4674   24.280   0.4847 1.048000 0.6733000 
1 1 1  -28    8   20 f   27.100   0.3197   27.260   0.4439   26.950   0.4602 0.3023000 0.6394000 
1 1 1  -28    8   21 o   14.240   0.5211   14.130   0.7239   14.340   0.7499 -0.2055000 1.042000 
1 1 1  -28    8   22 o   40.370   0.3644   40.710   0.5127   40.030   0.5180 0.6745000 0.7288000 
1 1 1  -28    8   23 o   16.920   0.4735   16.880   0.6329   16.970   0.7043 -0.8578000E-01 0.9469000 
1 1 1  -28    8   24 o   3.6090   1.0510   3.6760   1.4850   3.5420   1.4880 0.1332000 2.102000 
1 1 1  -28    8   25 o   6.5740   0.9645   6.5520   1.3170   6.5960   1.4090 -0.4382000E-01 1.929000 
1 1 1  -28    8   26 o   9.8450   0.7839   10.660   1.0180   9.0310   1.1930 1.627000 1.568000 
1 1 1  -28    8   27 o   13.760   0.5086   13.590   0.7008   13.920   0.7373 -0.3305000 1.017000 
1 1 1  -28    8   28 o   24.410   0.3430   24.080   0.4768   24.730   0.4932 -0.6482000 0.6860000 
1 1 1  -28    8   29 o   11.590   0.6640   12.690   0.8135   10.490   1.0500 2.194000 1.328000 
1 1 1  -28    8   30 o   7.8140   1.2090   8.3350   1.2780   7.2940   2.0520 1.040000 2.418000 
1 1 1  -28    8   31 o   5.7190   1.4640   5.1260   1.9030   6.3130   2.2240 -1.187000 2.927000 
1 1 1  -28    8   32 o   15.060   0.8542   16.820   0.8907   13.310   1.4580 3.513000 1.708000 
1 1 1  -28    8   33 o   4.6590   1.8120   4.6590   1.8120  ?   ?       ?      ? 
1 1 1  -28    8   34 o   8.3560   1.3620   9.6520   1.5150   7.0600   2.2640 2.592000 2.724000 
1 1 1  -28    8   35 o   11.270   0.9675   10.900   1.1720   11.640   1.5400 -0.7342000 1.935000 
1 1 1  -28    8   36 o   4.3890   1.3110   4.8930   1.9620   3.8840   1.7400 1.009000 2.622000 
1 1 1  -28   10    1 o   24.790   0.3103   24.550   0.3918   25.030   0.4813 -0.4830000 0.6206000 
1 1 1  -28   10    2 o   19.180   0.2986   19.270   0.4242   19.100   0.4205 0.1730000 0.5973000 
1 1 1  -28   10    3 o   12.930   0.4075   12.990   0.5637   12.880   0.5886 0.1085000 0.8150000 
1 1 1  -28   10    4 o   19.660   0.3047   19.710   0.4154   19.610   0.4458 0.9386000E-01 0.6093000 
1 1 1  -28   10    5 o   25.910   0.2789   25.800   0.3881   26.020   0.4008 -0.2176000 0.5579000 
1 1 1  -28   10    6 o   15.980   0.3747   15.790   0.5112   16.160   0.5481 -0.3744000 0.7495000 
1 1 1  -28   10    7 o   12.630   0.4844   12.580   0.6405   12.690   0.7268 -0.1133000 0.9688000 
1 1 1  -28   10    8 o   15.990   0.4037   15.480   0.5607   16.490   0.5809 -1.011000 0.8074000 
1 1 1  -28   10    9 o   19.480   0.3708   19.560   0.5097   19.410   0.5388 0.1548000 0.7417000 
1 1 1  -28   10   10 o   43.410   0.3290   43.650   0.4666   43.180   0.4640 0.4718000 0.6580000 
1 1 1  -28   10   11 o   64.960   0.5024   65.090   0.7132   64.840   0.7079 0.2482000 1.005000 
1 1 1  -28   10   12 o   39.630   0.4335   38.990   0.6758   40.280   0.5430 -1.283000 0.8669000 
1 1 1  -28   10   13 o   48.180   0.3534   48.140   0.4979   48.210   0.5016 -0.7576000E-01 0.7067000 
1 1 1  -28   10   14 o   46.960   0.3805   46.500   0.5707   47.420   0.5036 -0.9242000 0.7611000 
1 1 1  -28   10   15 o   47.440   0.4105   47.450   0.5791   47.430   0.5821 0.2179000E-01 0.8210000 
1 1 1  -28   10   16 o   42.590   0.3668   43.040   0.4778   42.140   0.5565 0.9017000 0.7335000 
1 1 1  -28   10   17 o   8.5820   0.8701   8.4240   1.2190   8.7410   1.2420 -0.3173000 1.740000 
1 1 1  -28   10   18 o   26.390   0.3375   26.120   0.4710   26.670   0.4836 -0.5562000 0.6751000 
1 1 1  -28   10   19 o   9.6210   0.7206   9.8080   0.9758   9.4340   1.0610 0.3742000 1.441000 
1 1 1  -28   10   20 o   12.720   0.5359   13.080   0.7183   12.360   0.7955 0.7210000 1.072000 
1 1 1  -28   10   21 o   23.010   0.4505   22.650   0.6010   23.370   0.6712 -0.7227000 0.9009000 
1 1 1  -28   10   22 o   27.160   0.3714   27.800   0.5088   26.520   0.5411 1.284000 0.7427000 
1 1 1  -28   10   23 o   29.910   0.3119   29.890   0.4378   29.940   0.4443 -0.5562000E-01 0.6238000 
1 1 1  -28   10   24 o   3.2890   1.0200   3.4100   1.4600   3.1680   1.4260 0.2422000 2.041000 
1 1 1  -28   10   25 o   13.330   0.5275   13.700   0.7149   12.960   0.7760 0.7385000 1.055000 
1 1 1  -28   10   26 o   9.0480   0.9089   9.9260   1.1350   8.1700   1.4200 1.756000 1.818000 
1 1 1  -28   10   27 o   13.440   0.5154   13.420   0.6961   13.460   0.7603 -0.4495000E-01 1.031000 
1 1 1  -28   10   28 o   9.1700   0.8056   8.5130   1.1710   9.8270   1.1070 -1.314000 1.611000 
1 1 1  -28   10   29 o   17.050   0.5691   17.330   0.6343   16.780   0.9449 0.5585000 1.138000 
1 1 1  -28   10   30 o   5.2540   1.3380   6.4080   1.9360   4.0990   1.8470 2.309000 2.675000 
1 1 1  -28   10   31 o   5.1070   1.5100   4.2210   1.8230   5.9920   2.4080 -1.772000 3.020000 
1 1 1  -28   10   32 o   3.7580   1.1930   3.0300   1.4460   4.4860   1.8980 -1.456000 2.386000 
1 1 1  -28   10   33 o   4.1670   1.2690   3.7510   1.6530   4.5830   1.9250 -0.8320000 2.538000 
1 1 1  -28   10   34 o   3.8060   1.2760   3.7240   1.6980   3.8890   1.9040 -0.1648000 2.551000 
1 1 1  -28   10   35 o   3.0080   1.0450   3.1740   1.5310   2.8410   1.4220 0.3327000 2.090000 
1 1 1  -28   12    1 o   60.240   0.4045   60.550   0.5744   59.940   0.5698 0.6067000 0.8091000 
1 1 1  -28   12    2 o   63.180   0.4196   63.110   0.5928   63.240   0.5941 -0.1316000 0.8393000 
1 1 1  -28   12    3 o   65.860   0.4352   66.030   0.6158   65.690   0.6152 0.3443000 0.8704000 
1 1 1  -28   12    4 o   59.950   0.4360   59.810   0.5668   60.090   0.6627 -0.2793000 0.8720000 
1 1 1  -28   12    5 o   48.160   0.3464   48.500   0.4884   47.820   0.4914 0.6779000 0.6928000 
1 1 1  -28   12    6 o   40.470   0.3206   40.620   0.4454   40.320   0.4613 0.3093000 0.6412000 
1 1 1  -28   12    7 o   61.050   0.4123   61.390   0.5817   60.700   0.5844 0.6980000 0.8246000 
1 1 1  -28   12    8 o   40.250   0.3827   40.040   0.5304   40.470   0.5518 -0.4292000 0.7653000 
1 1 1  -28   12    9 o   37.070   0.3784   37.440   0.5219   36.700   0.5481 0.7463000 0.7568000 
1 1 1  -28   12   10 o   20.400   0.4939   20.160   0.7046   20.650   0.6923 -0.4868000 0.9878000 
1 1 1  -28   12   11 o   49.720   0.4212   49.580   0.5926   49.860   0.5987 -0.2824000 0.8424000 
1 1 1  -28   12   12 o   33.090   0.3900   32.800   0.5488   33.370   0.5543 -0.5644000 0.7801000 
1 1 1  -28   12   13 o   31.670   0.3967   31.860   0.5568   31.470   0.5651 0.3878000 0.7934000 
1 1 1  -28   12   14 o   36.860   0.3347   37.010   0.4709   36.710   0.4758 0.3014000 0.6695000 
1 1 1  -28   12   15 o   33.650   0.3312   33.330   0.4639   33.960   0.4730 -0.6356000 0.6625000 
1 1 1  -28   12   16 o   14.190   0.5359   14.250   0.7339   14.130   0.7811 0.1185000 1.072000 
1 1 1  -28   12   17 o   8.6610   0.8665   8.0680   1.2830   9.2540   1.1650 -1.186000 1.733000 
1 1 1  -28   12   18 o   25.570   0.3362   25.520   0.4648   25.620   0.4858 -0.9823000E-01 0.6724000 
1 1 1  -28   12   19 o   5.1320   1.2440   4.7910   1.7260   5.4730   1.7930 -0.6819000 2.489000 
1 1 1  -28   12   20 o   14.460   0.6308   14.260   0.8321   14.660   0.9481 -0.3984000 1.262000 
1 1 1  -28   12   21 o   5.3350   1.1440   5.7070   1.5610   4.9640   1.6710 0.7431000 2.287000 
1 1 1  -28   12   22 o   21.180   0.3586   21.140   0.4959   21.220   0.5180 -0.7934000E-01 0.7172000 
1 1 1  -28   12   23 o   19.160   0.3897   19.130   0.5328   19.190   0.5688 -0.5694000E-01 0.7793000 
1 1 1  -28   12   24 o   2.9820   0.9730   2.7930   1.3060   3.1710   1.4430 -0.3787000 1.946000 
1 1 1  -28   12   25 o   22.760   0.4551   22.270   0.6082   23.250   0.6771 -0.9832000 0.9102000 
1 1 1  -28   12   26 o   14.780   0.5920   14.830   0.6984   14.730   0.9561 0.9955000E-01 1.184000 
1 1 1  -28   12   27 o   20.840   0.4699   20.440   0.5512   21.250   0.7611 -0.8044000 0.9397000 
1 1 1  -28   12   28 o   13.050   0.7351   13.460   0.7783   12.650   1.2470 0.8169000 1.470000 
1 1 1  -28   12   29 o   14.780   0.6677   15.100   0.8898   14.450   0.9958 0.6590000 1.335000 
1 1 1  -28   12   30 o   6.4550   1.4180   6.4010   2.0430   6.5100   1.9680 -0.1093000 2.837000 
1 1 1  -28   12   31 o   7.7140   1.1000   10.550   1.1620   4.8830   1.8680 5.663000 2.200000 
1 1 1  -28   12   32 o   3.9430   1.1680   4.8620   1.8310   3.0240   1.4500 1.839000 2.336000 
1 1 1  -28   12   33 o   7.0860   1.3610   7.0430   1.9130   7.1290   1.9360 -0.8665000E-01 2.722000 
1 1 1  -28   12   34 f   3.1490   1.0810   2.8610   1.4370   3.4380   1.6160 -0.5774000 2.162000 
1 1 1  -28   12   35 o   2.8240   0.9787   2.3180   1.1640   3.3300   1.5740 -1.012000 1.957000 
1 1 1  -28   14    1 o   13.910   0.6258   12.770   0.9318   15.040   0.8356 -2.267000 1.252000 
1 1 1  -28   14    2 o   37.960   0.4576   37.860   0.6351   38.050   0.6588 -0.1910000 0.9151000 
1 1 1  -28   14    3 o   56.930   0.5564   56.840   0.7817   57.030   0.7922 -0.1883000 1.113000 
1 1 1  -28   14    4 o   32.850   0.4536   32.980   0.6234   32.730   0.6591 0.2522000 0.9072000 
1 1 1  -28   14    5 o   26.660   0.6990  ?   ?    26.660   0.6990      ?      ? 
1 1 1  -28   14    6 o   45.480   0.4894   45.030   0.6829   45.930   0.7011 -0.8943000 0.9787000 
1 1 1  -28   14    7 o   18.690   0.5785   18.080   0.8973   19.310   0.7305 -1.227000 1.157000 
1 1 1  -28   14    8 o   15.430   0.6115   14.840   0.8481   16.020   0.8813 -1.181000 1.223000 
1 1 1  -28   14    9 o   55.570   0.4243   55.760   0.5525   55.390   0.6441 0.3713000 0.8486000 
1 1 1  -28   14   10 o   23.680   0.3862   23.370   0.5227   23.980   0.5686 -0.6057000 0.7724000 
1 1 1  -28   14   11 o   8.9110   0.9693   7.5170   1.5330   10.300   1.1870 -2.788000 1.939000 
1 1 1  -28   14   12 o   38.460   0.3424   38.520   0.4780   38.400   0.4905 0.1122000 0.6848000 
1 1 1  -28   14   13 o   14.290   0.5807   14.440   0.7960   14.140   0.8457 0.3010000 1.161000 
1 1 1  -28   14   14 o   22.300   0.3986   22.140   0.5570   22.450   0.5702 -0.3058000 0.7971000 
1 1 1  -28   14   15 o   22.450   0.3868   22.790   0.5302   22.100   0.5633 0.6992000 0.7736000 
1 1 1  -28   14   16 o   19.970   0.4104   20.190   0.5663   19.740   0.5942 0.4482000 0.8209000 
1 1 1  -28   14   17 o   3.6650   1.1130   4.3130   1.7010   3.0180   1.4350 1.295000 2.226000 
1 1 1  -28   14   18 o   27.090   0.3863   27.220   0.5303   26.960   0.5619 0.2598000 0.7726000 
1 1 1  -28   14   19 f   12.870   0.6130   12.910   0.8180   12.830   0.9133 0.7546000E-01 1.226000 
1 1 1  -28   14   20 o   12.650   0.6519   12.690   0.7703   12.610   1.0520 0.7980000E-01 1.304000 
1 1 1  -28   14   21 o   11.490   0.6957   11.250   0.8521   11.730   1.1000 -0.4831000 1.391000 
1 1 1  -28   14   22 o   13.560   0.6045   13.880   0.7004   13.240   0.9854 0.6414000 1.209000 
1 1 1  -28   14   23 o   26.390   0.4163   26.330   0.5171   26.450   0.6526 -0.1161000 0.8326000 
1 1 1  -28   14   24 o   22.190   0.4755   22.890   0.6273   21.480   0.7147 1.410000 0.9510000 
1 1 1  -28   14   25 o   7.3920   1.1750   8.1490   1.5590   6.6350   1.7580 1.514000 2.350000 
1 1 1  -28   14   26 o   23.450   0.3768   23.280   0.5207   23.610   0.5448 -0.3295000 0.7536000 
1 1 1  -28   14   27 o   7.6040   1.0400   7.0970   1.4820   8.1100   1.4600 -1.013000 2.081000 
1 1 1  -28   14   28 o   7.5780   1.2980   8.2150   1.6990   6.9410   1.9640 1.274000 2.597000 
1 1 1  -28   14   29 o   7.1190   1.1940   7.9440   1.5070   6.2940   1.8520 1.650000 2.388000 
1 1 1  -28   14   30 o   5.8330   1.2900   4.7240   1.8210   6.9410   1.8270 -2.217000 2.580000 
1 1 1  -28   14   31 o   3.1880   1.0560   2.4660   1.2310   3.9090   1.7150 -1.443000 2.111000 
1 1 1  -28   14   32 o   3.3890   1.1230   2.8060   1.3650   3.9730   1.7830 -1.167000 2.245000 
1 1 1  -28   14   33 o   2.7380   0.9749   2.9390   1.4620   2.5370   1.2900 0.4021000 1.950000 
1 1 1  -28   14   34 o   2.7700   0.9530   3.0770   1.4590   2.4640   1.2270 0.6132000 1.906000 
1 1 1  -28   16    1 o   33.910   0.3377   33.280   0.4725   34.530   0.4826 -1.252000 0.6753000 
1 1 1  -28   16    2 f   31.600   0.3426   31.740   0.4783   31.450   0.4907 0.2915000 0.6853000 
1 1 1  -28   16    3 o   55.200   0.3915   55.430   0.5530   54.980   0.5544 0.4572000 0.7830000 
1 1 1  -28   16    4 o   18.670   0.4490   19.210   0.6131   18.140   0.6563 1.077000 0.8981000 
1 1 1  -28   16    5 o   12.060   0.6941   12.200   0.9162   11.910   1.0430 0.2904000 1.388000 
1 1 1  -28   16    6 o   9.0310   0.9400   8.8860   1.2710   9.1750   1.3850 -0.2889000 1.880000 
1 1 1  -28   16    7 o   17.810   0.4940   18.160   0.6479   17.460   0.7458 0.7011000 0.9879000 
1 1 1  -28   16    8 o   7.0550   1.1840   7.1240   1.5910   6.9870   1.7540 0.1375000 2.368000 
1 1 1  -28   16    9 o   26.970   0.3649   26.530   0.4997   27.410   0.5319 -0.8805000 0.7298000 
1 1 1  -28   16   10 o   31.460   0.3398   31.330   0.4663   31.600   0.4944 -0.2715000 0.6796000 
1 1 1  -28   16   11 o   21.410   0.4098   22.160   0.5357   20.670   0.6203 1.498000 0.8196000 
1 1 1  -28   16   12 o   15.290   0.5648   14.930   0.8248   15.650   0.7718 -0.7231000 1.130000 
1 1 1  -28   16   13 o   36.580   0.3407   36.790   0.4752   36.360   0.4884 0.4297000 0.6814000 
1 1 1  -28   16   14 o   22.780   0.4528   22.400   0.6203   23.170   0.6598 -0.7734000 0.9056000 
1 1 1  -28   16   15 o   25.740   0.5472   25.440   0.5744   26.050   0.9314 -0.6125000 1.094000 
1 1 1  -28   16   16 o   5.9820   1.2170   7.1080   1.5040   4.8570   1.9150 2.252000 2.435000 
1 1 1  -28   16   17 o   12.690   0.7173   13.120   0.8645   12.260   1.1450 0.8682000 1.435000 
1 1 1  -28   16   18 o   17.970   0.5250   17.630   0.6487   18.310   0.8258 -0.6738000 1.050000 
1 1 1  -28   16   19 o   5.1640   1.2290   4.7760   1.6390   5.5510   1.8320 -0.7742000 2.458000 
1 1 1  -28   16   20 o   27.650   0.3439   27.520   0.4825   27.780   0.4902 -0.2578000 0.6878000 
1 1 1  -28   16   21 f   12.250   0.6072   11.800   0.8574   12.690   0.8601 -0.8939000 1.214000 
1 1 1  -28   16   22 o   22.310   0.3782   22.720   0.5098   21.900   0.5588 0.8255000 0.7564000 
1 1 1  -28   16   23 o   9.1040   1.0050   10.400   1.1950   7.8040   1.6160 2.599000 2.009000 
1 1 1  -28   16   24 o   25.620   0.4308   25.440   0.6202   25.800   0.5979 -0.3669000 0.8615000 
1 1 1  -28   16   25 o   15.250   0.5334   15.500   0.7300   15.000   0.7779 0.4963000 1.067000 
1 1 1  -28   16   26 o   9.8490   1.0590   11.560   1.1910   8.1400   1.7530 3.417000 2.119000 
1 1 1  -28   16   27 o   6.1560   1.3500   7.5460   1.8580   4.7650   1.9590 2.781000 2.699000 
1 1 1  -28   16   28 o   9.4810   0.9503   9.5770   1.2590   9.3840   1.4230 0.1925000 1.901000 
1 1 1  -28   16   29 f   4.6160   1.2880   4.7420   1.8140   4.4900   1.8290 0.2512000 2.576000 
1 1 1  -28   16   30 o   6.3890   1.2060   8.2340   1.5790   4.5440   1.8240 3.690000 2.413000 
1 1 1  -28   16   31 o   3.0520   1.0430   3.3450   1.5720   2.7590   1.3710 0.5859000 2.086000 
1 1 1  -28   16   32 o   2.7840   0.9846   2.8090   1.4040   2.7590   1.3810 0.5019000E-01 1.969000 
1 1 1  -28   16   33 o   3.0420   1.0290   3.1280   1.4730   2.9570   1.4380 0.1712000 2.058000 
1 1 1  -28   18    1 o   31.330   0.3367   31.730   0.4706   30.920   0.4817 0.8089000 0.6734000 
1 1 1  -28   18    2 o   34.220   0.3326   34.380   0.4628   34.050   0.4778 0.3286000 0.6652000 
1 1 1  -28   18    3 o   10.630   0.7417   10.570   1.0350   10.700   1.0630 -0.1377000 1.483000 
1 1 1  -28   18    4 o   14.110   0.5536   14.040   0.7788   14.170   0.7868 -0.1324000 1.107000 
1 1 1  -28   18    5 o   16.420   0.5088   16.840   0.6632   16.000   0.7718 0.8409000 1.018000 
1 1 1  -28   18    6 o   24.700   0.3805   25.080   0.5048   24.320   0.5695 0.7590000 0.7610000 
1 1 1  -28   18    7 o   8.1930   1.0350   8.3680   1.3360   8.0190   1.5820 0.3489000 2.070000 
1 1 1  -28   18    8 o   24.760   0.6162   23.850   0.5779   25.680   1.0890 -1.838000 1.232000 
1 1 1  -28   18    9 f   7.6380   1.4650   8.3460   1.4430   6.9300   2.5510 1.417000 2.931000 
1 1 1  -28   18   10 o   19.740   0.6628   18.960   0.6683   20.520   1.1450 -1.555000 1.326000 
1 1 1  -28   18   11 o   29.080   0.5420   28.950   0.5231   29.210   0.9494 -0.2624000 1.084000 
1 1 1  -28   18   12 o   11.880   0.8156   12.940   0.8116   10.830   1.4150 2.107000 1.631000 
1 1 1  -28   18   13 o   25.040   0.4251   24.510   0.4925   25.560   0.6930 -1.053000 0.8501000 
1 1 1  -28   18   14 o   14.500   0.5806   13.270   0.8105   15.730   0.8316 -2.461000 1.161000 
1 1 1  -28   18   15 o   22.110   0.4331   21.780   0.5952   22.450   0.6293 -0.6754000 0.8662000 
1 1 1  -28   18   16 o   4.2580   1.2180   3.8610   1.6440   4.6550   1.7970 -0.7945000 2.436000 
1 1 1  -28   18   17 o   10.980   0.6810   11.020   0.9205   10.940   1.0040 0.7811000E-01 1.362000 
1 1 1  -28   18   18 o   12.080   0.6931   10.640   0.9805   13.530   0.9800 -2.898000 1.386000 
1 1 1  -28   18   19 o   14.170   0.5638   13.710   0.7798   14.640   0.8145 -0.9225000 1.128000 
1 1 1  -28   18   20 o   11.210   0.7043   12.060   0.8610   10.360   1.1150 1.702000 1.409000 
1 1 1  -28   18   21 o   15.160   0.5425   15.680   0.7113   14.640   0.8192 1.036000 1.085000 
1 1 1  -28   18   22 o   11.680   0.7926   12.340   1.0550   11.010   1.1830 1.332000 1.585000 
1 1 1  -28   18   23 o   26.130   0.3779   26.490   0.5248   25.770   0.5439 0.7147000 0.7558000 
1 1 1  -28   18   24 o   9.2610   1.1100   9.4120   1.5150   9.1100   1.6210 0.3026000 2.219000 
1 1 1  -28   18   25 o   13.900   0.7718   13.230   1.1010   14.570   1.0820 -1.341000 1.544000 
1 1 1  -28   18   26 o   7.0970   1.2370   6.6250   1.7270   7.5690   1.7720 -0.9433000 2.474000 
1 1 1  -28   18   27 o   8.4930   1.0960   9.5560   1.2880   7.4290   1.7740 2.127000 2.192000 
1 1 1  -28   18   28 o   4.1940   1.1730   5.4640   1.8710   2.9250   1.4160 2.539000 2.346000 
1 1 1  -28   18   29 o   6.7600   1.2350   8.1060   1.5830   5.4130   1.8970 2.693000 2.471000 
1 1 1  -28   18   30 o   12.170   0.8772   12.910   1.1730   11.420   1.3050 1.488000 1.754000 
1 1 1  -28   18   31 o   2.4330   0.8660   2.4300   1.2230   2.4370   1.2270 -0.7381000E-02 1.732000 
1 1 1  -28   20    1 o   22.100   0.4924   21.890   0.5501   22.300   0.8168 -0.4141000 0.9847000 
1 1 1  -28   20    2 o   24.580   0.4613   24.120   0.5091   25.050   0.7695 -0.9319000 0.9226000 
1 1 1  -28   20    3 o   17.620   0.5894   17.740   0.6267   17.500   0.9983 0.2338000 1.179000 
1 1 1  -28   20    4 o   14.400   0.7092   14.870   0.7167   13.920   1.2240 0.9512000 1.418000 
1 1 1  -28   20    5 o   14.070   0.7166   14.070   0.7564   14.070   1.2170 -0.8397000E-02 1.433000 
1 1 1  -28   20    6 o   9.5610   1.0590   10.110   1.0370   9.0150   1.8460 1.091000 2.117000 
1 1 1  -28   20    7 o   35.190   0.3367   34.500   0.4625   35.890   0.4895 -1.388000 0.6734000 
1 1 1  -28   20    8 o   23.040   0.3826   23.670   0.5096   22.400   0.5709 1.264000 0.7652000 
1 1 1  -28   20    9 o   25.360   0.3620   24.880   0.4978   25.840   0.5256 -0.9635000 0.7239000 
1 1 1  -28   20   10 o   13.740   0.5685   14.030   0.7565   13.460   0.8487 0.5701000 1.137000 
1 1 1  -28   20   11 f   37.930   0.3880   37.990   0.5394   37.870   0.5578 0.1132000 0.7759000 
1 1 1  -28   20   12 o   37.740   0.3876   37.540   0.5354   37.930   0.5606 -0.3883000 0.7752000 
1 1 1  -28   20   13 o   22.930   0.4294   23.050   0.5695   22.810   0.6428 0.2398000 0.8588000 
1 1 1  -28   20   14 o   9.3640   0.8240   9.3090   1.0650   9.4190   1.2570 -0.1100000 1.648000 
1 1 1  -28   20   15 o   4.9660   1.2070   5.0890   1.6540   4.8420   1.7600 0.2466000 2.415000 
1 1 1  -28   20   16 o   4.1920   1.1670   4.8550   1.7270   3.5290   1.5710 1.326000 2.334000 
1 1 1  -28   20   17 o   9.4090   0.8581   8.6520   1.2870   10.170   1.1350 -1.513000 1.716000 
1 1 1  -28   20   18 o   9.2190   0.9753   8.2950   1.3670   10.140   1.3910 -1.848000 1.951000 
1 1 1  -28   20   19 o   11.980   0.6892   12.410   0.8925   11.550   1.0500 0.8534000 1.378000 
1 1 1  -28   20   20 o   8.9840   1.0680   9.0310   1.4640   8.9380   1.5560 0.9223000E-01 2.137000 
1 1 1  -28   20   21 o   5.1610   1.2720   4.1890   1.7030   6.1330   1.8890 -1.944000 2.543000 
1 1 1  -28   20   22 o   4.4650   1.2540   5.9580   2.0390   2.9720   1.4600 2.987000 2.508000 
1 1 1  -28   20   23 o   6.3870   1.3300   7.4000   1.7020   5.3740   2.0440 2.025000 2.660000 
1 1 1  -28   20   24 o   13.830   0.6998   14.550   0.9516   13.110   1.0260 1.433000 1.400000 
1 1 1  -28   20   25 o   4.7400   1.2880   4.1540   1.7390   5.3260   1.8990 -1.172000 2.575000 
1 1 1  -28   20   26 o   14.850   0.6225   15.140   0.8525   14.550   0.9074 0.5940000 1.245000 
1 1 1  -28   20   27 o   6.8790   1.1520   9.1290   1.4330   4.6280   1.8040 4.502000 2.304000 
1 1 1  -28   20   28 o   3.5740   1.1760   3.2430   1.5500   3.9050   1.7680 -0.6614000 2.351000 
1 1 1  -28   20   29 o   5.5210   1.2330   7.1240   1.7690   3.9190   1.7190 3.205000 2.466000 
1 1 1  -28   20   30 o   2.5270   0.8939   2.6760   1.3240   2.3790   1.2010 0.2969000 1.788000 
1 1 1  -28   22    1 o   20.280   0.4787   20.240   0.6713   20.320   0.6827 -0.7483000E-01 0.9574000 
1 1 1  -28   22    2 o   20.550   0.4724   20.340   0.6663   20.770   0.6698 -0.4262000 0.9448000 
1 1 1  -28   22    3 o   11.320   0.7934   11.570   1.0690   11.070   1.1720 0.4905000 1.587000 
1 1 1  -28   22    4 o   8.9780   0.9971   9.0030   1.4160   8.9530   1.4050 0.5029000E-01 1.994000 
1 1 1  -28   22    5 o   22.310   0.4727   22.770   0.6267   21.850   0.7078 0.9209000 0.9454000 
1 1 1  -28   22    6 o   37.640   0.3976   37.350   0.5477   37.940   0.5764 -0.5857000 0.7951000 
1 1 1  -28   22    7 o   20.940   0.4846   20.260   0.6710   21.630   0.6993 -1.375000 0.9691000 
1 1 1  -28   22    8 o   13.880   0.6799   13.880   0.9112   13.880   1.0090 0.5117000E-02 1.360000 
1 1 1  -28   22    9 o   17.230   0.4771   16.640   0.6556   17.830   0.6932 -1.193000 0.9541000 
1 1 1  -28   22   10 o   6.8860   1.1330   5.9360   1.6660   7.8360   1.5370 -1.900000 2.266000 
1 1 1  -28   22   11 o   7.0100   1.1050   5.9450   1.6460   8.0750   1.4750 -2.131000 2.210000 
1 1 1  -28   22   12 o   4.7980   1.1320   6.0970   1.6280   3.4990   1.5740 2.598000 2.265000 
1 1 1  -28   22   13 o   11.040   0.7042   10.560   0.9686   11.530   1.0220 -0.9698000 1.408000 
1 1 1  -28   22   14 o   6.8260   1.1700   6.5870   1.5960   7.0660   1.7100 -0.4794000 2.339000 
1 1 1  -28   22   15 o   14.120   0.5789   13.970   0.7707   14.270   0.8639 -0.3010000 1.158000 
1 1 1  -28   22   16 o   14.840   0.5654   14.730   0.7641   14.940   0.8337 -0.2126000 1.131000 
1 1 1  -28   22   17 o   17.610   0.5719   17.750   0.7705   17.460   0.8453 0.2831000 1.144000 
1 1 1  -28   22   18 o   7.3550   1.3290   7.2850   1.8950   7.4240   1.8640 -0.1384000 2.658000 
1 1 1  -28   22   19 o   8.2860   1.2910   6.2970   2.0740   10.280   1.5390 -3.979000 2.583000 
1 1 1  -28   22   20 o   14.920   0.7682   13.380   1.1740   16.450   0.9918 -3.073000 1.536000 
1 1 1  -28   22   21 o   3.9740   1.1880   3.0660   1.4540   4.8810   1.8800 -1.815000 2.377000 
1 1 1  -28   22   22 o   7.7560   1.2010   8.5790   1.4820   6.9340   1.8910 1.645000 2.402000 
1 1 1  -28   22   23 o   3.5270   1.1390   3.8840   1.7000   3.1710   1.5150 0.7128000 2.277000 
1 1 1  -28   22   24 o   5.2360   1.3450   4.8810   1.8670   5.5920   1.9370 -0.7119000 2.690000 
1 1 1  -28   22   25 o   11.650   0.8313   12.410   1.0770   10.900   1.2660 1.510000 1.663000 
1 1 1  -28   22   26 f   4.0260   1.2250   2.9610   1.4450   5.0910   1.9800 -2.130000 2.451000 
1 1 1  -28   22   27 o   3.6650   1.1410   4.4120   1.7870   2.9180   1.4180 1.494000 2.281000 
1 1 1  -28   22   28 o   3.3940   1.1190   3.7250   1.6820   3.0620   1.4750 0.6629000 2.237000 
1 1 1  -28   24    1 o   10.300   0.8067   8.5260   1.3020   12.070   0.9526 -3.546000 1.613000 
1 1 1  -28   24    2 f   4.2690   1.1780   3.6520   1.5840   4.8870   1.7450 -1.235000 2.357000 
1 1 1  -28   24    3 f   6.8520   1.1710   8.1000   1.5780   5.6040   1.7310 2.496000 2.342000 
1 1 1  -28   24    4 o   9.6640   0.8177   10.070   1.1000   9.2570   1.2100 0.8131000 1.635000 
1 1 1  -28   24    5 o   15.490   0.5371   15.340   0.7432   15.630   0.7756 -0.2965000 1.074000 
1 1 1  -28   24    6 o   14.410   0.5738   14.540   0.7679   14.280   0.8529 0.2588000 1.148000 
1 1 1  -28   24    7 o   12.720   0.6390   12.120   0.8996   13.330   0.9078 -1.212000 1.278000 
1 1 1  -28   24    8 o   7.4410   1.1220   8.5970   1.2980   6.2850   1.8320 2.312000 2.245000 
1 1 1  -28   24    9 o   10.330   0.8088   10.180   1.0810   10.490   1.2030 -0.3147000 1.618000 
1 1 1  -28   24   10 o   6.0650   1.1730   4.3380   1.6970   7.7910   1.6190 -3.452000 2.345000 
1 1 1  -28   24   11 o   4.4570   1.2210   4.9350   1.7550   3.9780   1.6970 0.9564000 2.442000 
1 1 1  -28   24   12 o   14.400   0.6056   14.780   0.7820   14.010   0.9251 0.7708000 1.211000 
1 1 1  -28   24   13 o   8.6240   1.0700   9.4250   1.3910   7.8220   1.6270 1.604000 2.140000 
1 1 1  -28   24   14 o   12.960   0.9930   14.310   1.2100   11.610   1.5750 2.701000 1.986000 
1 1 1  -28   24   15 o   7.0850   1.5710   7.3740   2.1850   6.7960   2.2560 0.5784000 3.141000 
1 1 1  -28   24   16 o   5.9230   1.3530   4.3590   1.8520   7.4870   1.9750 -3.128000 2.707000 
1 1 1  -28   24   17 o   8.4250   1.0910   10.030   1.2100   6.8240   1.8150 3.201000 2.182000 
1 1 1  -28   24   18 o   9.8530   0.9625   10.910   1.1280   8.7970   1.5600 2.111000 1.925000 
1 1 1  -28   24   19 o   3.9810   1.2370   3.9160   1.7390   4.0460   1.7610 -0.1294000 2.475000 
1 1 1  -28   24   20 o   3.1910   1.0690   3.4190   1.5810   2.9640   1.4410 0.4555000 2.139000 
1 1 1  -28   24   21 o   5.9030   1.3590   6.1850   1.9030   5.6210   1.9420 0.5644000 2.719000 
1 1 1  -28   24   22 o   4.0520   1.2310   3.4610   1.5940   4.6420   1.8750 -1.181000 2.461000 
1 1 1  -28   24   23 o   5.6520   1.3500   7.0680   1.9580   4.2370   1.8580 2.831000 2.699000 
1 1 1  -28   24   24 o   3.2810   1.1040   3.0610   1.4810   3.5010   1.6390 -0.4399000 2.209000 
1 1 1  -28   24   25 o   8.0780   1.1480   8.7740   1.4930   7.3810   1.7450 1.393000 2.297000 
1 1 1  -28   24   26 o   2.4000   0.8496   2.5870   1.2740   2.2120   1.1250 0.3750000 1.699000 
1 1 1  -28   26    1 o   21.350   0.5164   21.720   0.7053   20.980   0.7544 0.7382000 1.033000 
1 1 1  -28   26    2 o   13.420   0.7484   12.800   1.0870   14.050   1.0290 -1.245000 1.497000 
1 1 1  -28   26    3 f   5.9060   1.3050   7.2970   1.8210   4.5160   1.8700 2.781000 2.610000 
1 1 1  -28   26    4 o   6.6280   1.3320   7.3760   1.7840   5.8800   1.9780 1.496000 2.663000 
1 1 1  -28   26    5 o   11.760   0.8246   12.240   1.0860   11.280   1.2410 0.9636000 1.649000 
1 1 1  -28   26    6 o   11.920   1.0160   11.740   1.4440   12.100   1.4310 -0.3574000 2.033000 
1 1 1  -28   26    7 f   19.080   0.6759   18.630   0.9800   19.530   0.9310 -0.9040000 1.352000 
1 1 1  -28   26    8 o   3.8140   1.2540   4.2210   1.8980   3.4070   1.6410 0.8142000 2.509000 
1 1 1  -28   26    9 o   5.2760   1.4610   4.2000   1.9080   6.3520   2.2130 -2.151000 2.922000 
1 1 1  -28   26   10 o   14.550   0.8883   15.250   1.2110   13.860   1.3000 1.387000 1.777000 
1 1 1  -28   26   11 o   4.9420   1.4720   4.8740   2.0670   5.0090   2.0960 -0.1344000 2.944000 
1 1 1  -28   26   12 o   5.8290   1.2610   4.6450   1.8100   7.0130   1.7560 -2.368000 2.522000 
1 1 1  -28   26   13 o   5.3210   1.2510   3.9830   1.6970   6.6600   1.8390 -2.677000 2.502000 
1 1 1  -28   26   14 o   13.780   0.6605   13.990   0.9028   13.580   0.9645 0.4130000 1.321000 
1 1 1  -28   26   15 o   11.280   0.8050   11.390   1.1170   11.180   1.1590 0.2098000 1.610000 
1 1 1  -28   26   16 o   5.3230   1.1550   7.2860   1.6980   3.3600   1.5650 3.926000 2.309000 
1 1 1  -28   26   17 o   6.4940   1.3140   6.5440   1.8290   6.4450   1.8880 0.9828000E-01 2.628000 
1 1 1  -28   26   18 o   4.6810   1.3030   4.8410   1.8520   4.5210   1.8340 0.3197000 2.607000 
1 1 1  -28   26   19 o   4.1830   1.2520   4.0160   1.7310   4.3510   1.8090 -0.3355000 2.504000 
1 1 1  -28   26   20 o   5.9170   1.3950   7.0950   2.0020   4.7390   1.9430 2.356000 2.790000 
1 1 1  -28   26   21 o   6.2300   1.3080   7.9110   1.8060   4.5490   1.8930 3.362000 2.616000 
1 1 1  -28   26   22 o   8.7370   1.0870   9.6030   1.3620   7.8710   1.6940 1.732000 2.174000 
1 1 1  -28   26   23 o   2.5260   0.8866   2.5100   1.2440   2.5430   1.2640 -0.3319000E-01 1.773000 
1 1 1  -28   26   24 o   2.0780   1.0800   2.0780   1.0800  ?   ?       ?      ? 
1 1 1  -28   28    1 o   4.6300   1.2590   3.7830   1.6630   5.4760   1.8900 -1.693000 2.517000 
1 1 1  -28   28    2 o   10.820   0.8198   11.230   1.0920   10.410   1.2230 0.8187000 1.640000 
1 1 1  -28   28    3 f   8.2420   1.0980   6.7660   1.7610   9.7180   1.3130 -2.952000 2.197000 
1 1 1  -28   28    4 o   7.3920   1.1790   9.7250   1.2910   5.0590   1.9740 4.666000 2.359000 
1 1 1  -28   28    5 o   3.0160   1.0140   2.4040   1.2010   3.6270   1.6350 -1.223000 2.029000 
1 1 1  -28   28    6 f   10.640   0.8480   11.470   1.0760   9.8040   1.3110 1.664000 1.696000 
1 1 1  -28   28    7 o   9.6770   0.9359   9.3400   1.3620   10.010   1.2840 -0.6743000 1.872000 
1 1 1  -28   28    8 o   10.850   0.8414   9.7600   1.2900   11.940   1.0800 -2.179000 1.683000 
1 1 1  -28   28    9 o   9.9080   0.9072   9.8080   1.2740   10.010   1.2910 -0.2004000 1.814000 
1 1 1  -28   28   10 o   6.2880   1.2800   5.3350   1.8590   7.2420   1.7600 -1.907000 2.560000 
1 1 1  -28   28   11 o   3.0290   1.0240   2.9300   1.4090   3.1280   1.4850 -0.1986000 2.047000 
1 1 1  -28   28   12 o   4.5680   1.2790   4.1860   1.7470   4.9500   1.8670 -0.7645000 2.557000 
1 1 1  -28   28   13 o   3.3580   1.0940   3.6890   1.6360   3.0270   1.4520 0.6614000 2.187000 
1 1 1  -28   28   14 o   3.5480   1.1220   2.6730   1.3100   4.4230   1.8220 -1.750000 2.244000 
1 1 1  -28   28   15 o   8.4280   1.2320   10.020   1.4340   6.8400   2.0030 3.177000 2.463000 
1 1 1  -28   28   16 o   3.3090   1.1120   3.5070   1.6310   3.1110   1.5110 0.3963000 2.224000 
1 1 1  -28   28   17 o   5.8190   1.3950   6.6300   1.9610   5.0090   1.9840 1.621000 2.790000 
1 1 1  -28   28   18 o   3.4240   1.1020   3.9300   1.6960   2.9190   1.4080 1.011000 2.204000 
1 1 1  -28   28   19 o   3.1070   1.0370   2.6460   1.3020   3.5670   1.6140 -0.9206000 2.073000 
1 1 1  -28   28   20 o   3.5440   1.0980   4.4570   1.7730   2.6310   1.2950 1.826000 2.196000 
1 1 1  -28   28   21 o   2.0890   0.7682   2.2140   1.1470   1.9640   1.0220 0.2501000 1.536000 
1 1 1  -28   30    1 o   4.8480   1.2570   3.4180   1.5770   6.2790   1.9570 -2.861000 2.513000 
1 1 1  -28   30    2 o   9.7290   0.9804   10.160   1.2860   9.2940   1.4800 0.8704000 1.961000 
1 1 1  -28   30    3 o   4.6700   1.2850   3.9270   1.7070   5.4140   1.9210 -1.487000 2.570000 
1 1 1  -28   30    4 o   4.2960   1.2540   4.9510   1.8480   3.6410   1.6960 1.310000 2.508000 
1 1 1  -28   30    5 o   4.6770   1.2740   5.3870   1.8700   3.9660   1.7300 1.421000 2.548000 
1 1 1  -28   30    6 o   4.6740   1.3280   4.5980   1.8200   4.7510   1.9340 -0.1535000 2.655000 
1 1 1  -28   30    7 o   11.220   0.9474   11.720   1.2450   10.720   1.4290 0.9963000 1.895000 
1 1 1  -28   30    8 o   5.2060   1.3950   5.6220   1.9950   4.7890   1.9500 0.8338000 2.790000 
1 1 1  -28   30    9 o   9.2330   1.1730   10.590   1.3870   7.8820   1.8910 2.704000 2.345000 
1 1 1  -28   30   10 o   8.3090   1.2580   8.6890   1.6900   7.9290   1.8650 0.7606000 2.517000 
1 1 1  -28   30   11 o   3.7730   1.2060   3.6190   1.6610   3.9270   1.7500 -0.3077000 2.412000 
1 1 1  -28   30   12 o   3.5370   1.1500   3.6570   1.6730   3.4160   1.5780 0.2416000 2.300000 
1 1 1  -28   30   13 o   4.1670   1.2290   4.3250   1.7630   4.0080   1.7130 0.3169000 2.458000 
1 1 1  -28   30   14 o   3.8180   1.1080   5.1150   1.8300   2.5200   1.2510 2.595000 2.217000 
1 1 1  -28   30   15 o   2.7550   0.9495   2.7070   1.3230   2.8030   1.3620 -0.9582000E-01 1.899000 
1 1 1  -28   30   16 o   3.1450   1.0410   3.2970   1.5200   2.9920   1.4240 0.3053000 2.083000 
1 1 1  -28   30   17 o   1.9000   0.9880  ?   ?    1.9000   0.9880      ?      ? 
1 1 1  -28   32    1 o   5.7230   1.3070   5.1910   1.8560   6.2540   1.8420 -1.064000 2.615000 
1 1 1  -28   32    2 o   4.6520   1.2790   4.1020   1.7320   5.2010   1.8810 -1.098000 2.557000 
1 1 1  -28   32    3 o   2.8960   0.9852   3.3160   1.5350   2.4760   1.2350 0.8404000 1.970000 
1 1 1  -28   32    4 o   2.6840   0.9352   2.7240   1.3300   2.6440   1.3150 0.7940000E-01 1.870000 
1 1 1  -28   32    5 o   2.8960   0.9823   3.4040   1.5610   2.3870   1.1930 1.017000 1.965000 
1 1 1  -28   32    6 o   5.3550   1.2530   4.2600   1.7470   6.4500   1.7980 -2.189000 2.507000 
1 1 1  -28   32    7 o   6.5250   1.2220   7.5640   1.6100   5.4850   1.8380 2.079000 2.443000 
1 1 1  -28   32    8 o   2.0860   0.7495   2.1680   1.0960   2.0040   1.0230 0.1637000 1.499000 
1 1 1  -28   32    9 o   2.7580   0.9476   2.7210   1.3250   2.7950   1.3550 -0.7450000E-01 1.895000 
1 1 1  -28   32   10 o   1.9060   0.6892   1.8880   0.9656   1.9240   0.9838 -0.3578000E-01 1.378000 
1 1 1  -28   32   11 f   1.9030   0.9890  ?   ?    1.9030   0.9890      ?      ? 
1 1 1  -27    1    1 o   23.960   0.2312   23.990   0.3287   23.940   0.3251 0.4552000E-01 0.4623000 
1 1 1  -27    1    2 o   59.160   0.4367   59.290   0.6189   59.030   0.6163 0.2548000 0.8734000 
1 1 1  -27    1    3 o   48.700   0.3636   48.680   0.5146   48.730   0.5138 -0.5276000E-01 0.7271000 
1 1 1  -27    1    4 o   84.710   0.6189   85.130   0.8797   84.290   0.8709 0.8437000 1.238000 
1 1 1  -27    1    5 o   81.030   0.6658   80.000   0.8283   82.060   1.0430 -2.060000 1.332000 
1 1 1  -27    1    6 o   85.910   0.5435   85.800   0.7676   86.020   0.7697 -0.2270000 1.087000 
1 1 1  -27    1    7 o   19.580   0.2371   19.290   0.3349   19.870   0.3358 -0.5739000 0.4743000 
1 1 1  -27    1    8 o   49.840   0.3242   49.690   0.4571   49.990   0.4599 -0.2983000 0.6484000 
1 1 1  -27    1    9 o   73.110   0.4651   73.570   0.6617   72.660   0.6538 0.9174000 0.9302000 
1 1 1  -27    1   10 f   23.700   0.2144   23.870   0.3049   23.530   0.3015 0.3416000 0.4288000 
1 1 1  -27    1   11 o   31.150   0.2734   31.030   0.3865   31.280   0.3867 -0.2541000 0.5467000 
1 1 1  -27    1   12 o   41.720   0.3752   41.680   0.5816   41.760   0.4741 -0.8165000E-01 0.7504000 
1 1 1  -27    1   13 o   89.280   0.7346   89.620   1.1430   88.940   0.9236 0.6797000 1.469000 
1 1 1  -27    1   14 o   64.210   0.5110   64.070   0.8339   64.340   0.5908 -0.2617000 1.022000 
1 1 1  -27    1   15 o   37.140   0.3498   37.100   0.5725   37.170   0.4021 -0.6404000E-01 0.6996000 
1 1 1  -27    1   16 o   44.850   0.3920   44.740   0.6389   44.960   0.4543 -0.2284000 0.7839000 
1 1 1  -27    1   17 o   29.570   0.3450   29.090   0.5590   30.050   0.4044 -0.9629000 0.6900000 
1 1 1  -27    1   18 o   45.340   0.4278   45.010   0.5473   45.670   0.6577 -0.6599000 0.8556000 
1 1 1  -27    1   19 o   60.400   0.4945   60.800   0.5775   60.010   0.8029 0.7901000 0.9891000 
1 1 1  -27    1   20 o   16.490   0.5041   17.190   0.5596   15.790   0.8386 1.400000 1.008000 
1 1 1  -27    1   21 o   6.5550   1.4150   6.6960   1.7670   6.4130   2.2110 0.2826000 2.830000 
1 1 1  -27    1   22 f   13.140   0.7801   12.690   0.8041   13.600   1.3370 -0.9092000 1.560000 
1 1 1  -27    1   23 f   28.010   0.3052   28.030   0.4271   27.990   0.4361 0.3171000E-01 0.6104000 
1 1 1  -27    1   24 o   12.270   0.5123   11.990   0.7336   12.540   0.7153 -0.5491000 1.025000 
1 1 1  -27    1   25 o   4.7390   1.0930   4.9950   1.5510   4.4840   1.5410 0.5106000 2.187000 
1 1 1  -27    1   26 o   16.930   0.5680   17.230   0.7885   16.630   0.8178 0.6020000 1.136000 
1 1 1  -27    1   27 o   7.7000   0.8318   8.1960   1.0930   7.2040   1.2540 0.9920000 1.664000 
1 1 1  -27    1   28 o   14.910   0.4425   15.400   0.5962   14.420   0.6539 0.9741000 0.8849000 
1 1 1  -27    1   29 o   4.7070   1.1100   5.4210   1.5640   3.9930   1.5760 1.428000 2.220000 
1 1 1  -27    1   30 o   7.6330   0.9537   6.0780   1.5740   9.1880   1.0770 -3.109000 1.907000 
1 1 1  -27    1   31 o   13.090   0.5710   13.160   0.8076   13.030   0.8076 0.1316000 1.142000 
1 1 1  -27    1   32 o   10.810   0.7433   11.030   1.0430   10.590   1.0590 0.4466000 1.487000 
1 1 1  -27    1   33 o   15.410   0.5592   15.320   0.8077   15.490   0.7735 -0.1712000 1.118000 
1 1 1  -27    1   34 o   3.9920   1.2910   3.7750   1.7550   4.2090   1.8940 -0.4339000 2.582000 
1 1 1  -27    1   35 o   10.410   0.8963   11.180   1.1620   9.6490   1.3650 1.528000 1.793000 
1 1 1  -27    1   36 o   3.0800   1.0410   3.3060   1.5450   2.8540   1.3950 0.4523000 2.081000 
1 1 1  -27    1   37 o   2.6720   0.9291   3.1830   1.5000   2.1610   1.0970 1.023000 1.858000 
1 1 1  -27    3    1 o   37.160   0.2538   37.500   0.3596   36.830   0.3583 0.6695000 0.5076000 
1 1 1  -27    3    2 o   32.430   0.3494   32.660   0.4882   32.210   0.4998 0.4472000 0.6987000 
1 1 1  -27    3    3 o   21.360   0.3299   21.450   0.4545   21.280   0.4783 0.1717000 0.6597000 
1 1 1  -27    3    4 o   29.920   0.3358   30.280   0.4723   29.560   0.4774 0.7247000 0.6716000 
1 1 1  -27    3    5 o  108.100   0.7391  105.600   1.0960  110.600   0.9920 -4.934000 1.478000 
1 1 1  -27    3    6 o   99.510   0.6794   98.090   1.0150  100.900   0.9030 -2.841000 1.359000 
1 1 1  -27    3    7 o   41.090   0.3434   40.590   0.5625   41.580   0.3941 -0.9885000 0.6868000 
1 1 1  -27    3    8 o   12.580   0.3884   12.680   0.6319   12.480   0.4516 0.2001000 0.7767000 
1 1 1  -27    3    9 o   23.500   0.2792   23.810   0.4697   23.180   0.3018 0.6261000 0.5583000 
1 1 1  -27    3   10 o   15.990   0.4405   14.960   0.7374   17.020   0.4822 -2.066000 0.8811000 
1 1 1  -27    3   11 o   60.000   0.6334   59.440   1.0940   60.550   0.6387 -1.110000 1.267000 
1 1 1  -27    3   12 o   94.430   0.7359   94.660   1.2050   94.200   0.8448 0.4630000 1.472000 
1 1 1  -27    3   13 o   13.620   0.4172   13.690   0.6134   13.550   0.5655 0.1343000 0.8343000 
1 1 1  -27    3   14 o   15.820   0.3400   16.340   0.4706   15.290   0.4909 1.049000 0.6800000 
1 1 1  -27    3   15 o   45.780   0.3226   46.000   0.4586   45.570   0.4538 0.4214000 0.6452000 
1 1 1  -27    3   16 o   36.290   0.2920   36.010   0.4133   36.560   0.4126 -0.5509000 0.5840000 
1 1 1  -27    3   17 o   15.020   0.4589   16.140   0.5393   13.890   0.7427 2.254000 0.9178000 
1 1 1  -27    3   18 o   59.030   0.3969   59.030   0.5609   59.020   0.5618 0.1622000E-01 0.7939000 
1 1 1  -27    3   19 o   16.820   0.4010   16.670   0.5744   16.970   0.5597 -0.2988000 0.8021000 
1 1 1  -27    3   20 o   9.6440   0.7783   9.8010   1.1080   9.4870   1.0930 0.3142000 1.557000 
1 1 1  -27    3   21 o   21.490   0.3747   21.790   0.4883   21.190   0.5685 0.5988000 0.7494000 
1 1 1  -27    3   22 o   39.570   0.3612   39.820   0.5038   39.330   0.5177 0.4895000 0.7224000 
1 1 1  -27    3   23 f   45.010   0.4079   45.530   0.4764   44.490   0.6621 1.032000 0.8157000 
1 1 1  -27    3   24 f   34.910   0.3690   34.820   0.4254   35.000   0.6031 -0.1761000 0.7380000 
1 1 1  -27    3   25 o   7.6760   1.0650   9.3060   1.0200   6.0470   1.8690 3.260000 2.129000 
1 1 1  -27    3   26 o   10.990   1.0190   10.510   1.2200   11.460   1.6330 -0.9457000 2.039000 
1 1 1  -27    3   27 o   22.360   0.4653   22.110   0.5782   22.610   0.7291 -0.5003000 0.9305000 
1 1 1  -27    3   28 o   7.1900   0.9082   7.1110   1.2920   7.2690   1.2770 -0.1582000 1.816000 
1 1 1  -27    3   29 f   3.7250   1.0800   3.8020   1.5240   3.6480   1.5320 0.1535000 2.161000 
1 1 1  -27    3   30 o   13.780   0.5178   14.230   0.6903   13.340   0.7720 0.8902000 1.036000 
1 1 1  -27    3   31 o   7.0750   1.0390   5.0280   1.7160   9.1220   1.1720 -4.095000 2.078000 
1 1 1  -27    3   32 o   10.520   0.7537   10.430   1.0790   10.600   1.0530 -0.1656000 1.507000 
1 1 1  -27    3   33 o   10.960   0.8846   11.230   1.2860   10.690   1.2150 0.5352000 1.769000 
1 1 1  -27    3   34 o   22.320   0.4978   22.000   0.6857   22.640   0.7218 -0.6426000 0.9956000 
1 1 1  -27    3   35 o   5.3520   1.3120   6.2060   1.8860   4.4980   1.8250 1.709000 2.624000 
1 1 1  -27    3   36 o   4.1020   1.2040   4.8970   1.8510   3.3060   1.5400 1.591000 2.408000 
1 1 1  -27    3   37 o   3.2710   1.1060   3.1540   1.5220   3.3880   1.6060 -0.2342000 2.213000 
1 1 1  -27    5    1 o   81.060   0.6314   80.440   1.0280   81.670   0.7337 -1.227000 1.263000 
1 1 1  -27    5    2 o   58.560   0.4674   58.840   0.7688   58.280   0.5317 0.5582000 0.9348000 
1 1 1  -27    5    3 o   80.520   0.7275   80.230   1.0240   80.820   1.0330 -0.5932000 1.455000 
1 1 1  -27    5    4 o   61.470   0.5653   61.390   0.7979   61.550   0.8009 -0.1594000 1.131000 
1 1 1  -27    5    5 o   60.380   0.4816   60.800   0.7932   59.950   0.5463 0.8565000 0.9631000 
1 1 1  -27    5    6 o   50.770   0.5457   50.110   0.9453   51.430   0.5453 -1.321000 1.091000 
1 1 1  -27    5    7 o   87.140   0.6374   87.130   0.9013   87.140   0.9014 -0.1081000E-01 1.275000 
1 1 1  -27    5    8 o   56.660   0.5190   57.190   0.7395   56.120   0.7283 1.066000 1.038000 
1 1 1  -27    5    9 o   35.160   0.2579   35.380   0.3682   34.940   0.3612 0.4329000 0.5158000 
1 1 1  -27    5   10 o   5.2520   0.7875   5.0230   1.1440   5.4820   1.0830 -0.4597000 1.575000 
1 1 1  -27    5   11 o   84.560   0.5388   84.730   0.7635   84.380   0.7604 0.3559000 1.078000 
1 1 1  -27    5   12 o   57.980   0.3821   57.620   0.5378   58.330   0.5429 -0.7076000 0.7642000 
1 1 1  -27    5   13 f   85.550   0.6331   85.540   0.8960   85.550   0.8947 -0.1136000E-01 1.266000 
1 1 1  -27    5   14 o   8.6790   0.6335   8.9860   0.8386   8.3730   0.9496 0.6127000 1.267000 
1 1 1  -27    5   15 f   41.330   0.3094   41.470   0.4361   41.190   0.4389 0.2788000 0.6188000 
1 1 1  -27    5   16 o   38.070   0.3047   38.060   0.4287   38.080   0.4333 -0.2480000E-01 0.6095000 
1 1 1  -27    5   17 o   64.450   0.4281   64.260   0.6044   64.630   0.6066 -0.3687000 0.8563000 
1 1 1  -27    5   18 o   54.920   0.3778   54.840   0.5327   55.000   0.5358 -0.1569000 0.7555000 
1 1 1  -27    5   19 o   49.770   0.4098   49.380   0.5794   50.170   0.5797 -0.7828000 0.8196000 
1 1 1  -27    5   20 o   20.870   0.3860   20.990   0.5049   20.760   0.5839 0.2268000 0.7720000 
1 1 1  -27    5   21 o   22.590   0.3366   22.720   0.4666   22.470   0.4852 0.2548000 0.6732000 
1 1 1  -27    5   22 o   11.700   0.6103   10.990   0.8812   12.410   0.8445 -1.417000 1.221000 
1 1 1  -27    5   23 o   22.380   0.3303   21.960   0.4701   22.800   0.4640 -0.8404000 0.6605000 
1 1 1  -27    5   24 o   33.320   0.3496   33.580   0.4871   33.050   0.5018 0.5273000 0.6993000 
1 1 1  -27    5   25 o   19.570   0.4055   19.450   0.5488   19.700   0.5972 -0.2533000 0.8111000 
1 1 1  -27    5   26 o   10.530   0.7273   9.5680   1.1150   11.490   0.9340 -1.918000 1.455000 
1 1 1  -27    5   27 o   18.110   0.6173   17.620   0.6769   18.600   1.0320 -0.9768000 1.235000 
1 1 1  -27    5   28 o   2.7950   0.9594   2.3350   1.1430   3.2560   1.5410 -0.9203000 1.919000 
1 1 1  -27    5   29 o   18.020   0.5079   18.340   0.5486   17.700   0.8550 0.6372000 1.016000 
1 1 1  -27    5   30 o   4.9540   1.2710   5.3240   1.6710   4.5830   1.9150 0.7415000 2.541000 
1 1 1  -27    5   31 o   3.9160   1.1560   4.4850   1.6990   3.3470   1.5680 1.138000 2.312000 
1 1 1  -27    5   32 o   9.1000   0.9108   9.2340   1.2530   8.9660   1.3220 0.2688000 1.822000 
1 1 1  -27    5   33 o   14.510   0.6924   14.510   0.9976   14.500   0.9605 0.1151000E-01 1.385000 
1 1 1  -27    5   34 o   17.080   0.6065   17.620   0.8132   16.550   0.9001 1.066000 1.213000 
1 1 1  -27    5   35 o   3.1050   1.0290   3.6900   1.6300   2.5210   1.2560 1.169000 2.057000 
1 1 1  -27    5   36 o   2.5860   0.9058   2.4580   1.2280   2.7150   1.3320 -0.2573000 1.812000 
1 1 1  -27    5   37 o   2.4710   0.8811   2.2720   1.1570   2.6690   1.3290 -0.3976000 1.762000 
1 1 1  -27    7    1 o   56.660   0.4786   56.630   0.6076   56.690   0.7397 -0.5896000E-01 0.9572000 
1 1 1  -27    7    2 o   23.030   0.2229   22.990   0.3150   23.070   0.3156 -0.7953000E-01 0.4459000 
1 1 1  -27    7    3 o   45.880   0.3348   46.110   0.4381   45.650   0.5062 0.4550000 0.6695000 
1 1 1  -27    7    4 o   29.690   0.2591   29.790   0.3351   29.590   0.3952 0.1943000 0.5182000 
1 1 1  -27    7    5 o   26.530   0.2353   26.120   0.3272   26.940   0.3384 -0.8161000 0.4707000 
1 1 1  -27    7    6 o   49.130   0.3813   49.820   0.5459   48.440   0.5326 1.377000 0.7627000 
1 1 1  -27    7    7 o   54.640   0.4172   55.190   0.5955   54.100   0.5845 1.089000 0.8345000 
1 1 1  -27    7    8 o   56.330   0.3713   56.220   0.5252   56.440   0.5250 -0.2163000 0.7426000 
1 1 1  -27    7    9 o   89.810   0.5717   90.370   0.8134   89.250   0.8037 1.118000 1.143000 
1 1 1  -27    7   10 o   54.290   0.3625   54.560   0.5145   54.020   0.5107 0.5325000 0.7250000 
1 1 1  -27    7   11 o   37.010   0.2865   36.950   0.4034   37.060   0.4068 -0.1075000 0.5729000 
1 1 1  -27    7   12 o   60.430   0.4652   60.500   0.6597   60.360   0.6560 0.1427000 0.9303000 
1 1 1  -27    7   13 o   24.200   0.3608   24.030   0.5183   24.380   0.5021 -0.3549000 0.7216000 
1 1 1  -27    7   14 o   56.410   0.3833   56.700   0.5432   56.130   0.5409 0.5702000 0.7666000 
1 1 1  -27    7   15 o   49.820   0.3523   50.010   0.4965   49.630   0.5000 0.3812000 0.7046000 
1 1 1  -27    7   16 o   28.050   0.3146   27.830   0.4340   28.270   0.4555 -0.4364000 0.6291000 
1 1 1  -27    7   17 o   72.880   0.4787   73.310   0.6808   72.440   0.6731 0.8747000 0.9574000 
1 1 1  -27    7   18 o   28.480   0.3722   28.670   0.5283   28.290   0.5243 0.3810000 0.7443000 
1 1 1  -27    7   19 o   34.360   0.3124   34.280   0.4433   34.450   0.4402 -0.1662000 0.6247000 
1 1 1  -27    7   20 o   7.3500   0.9406   7.9250   1.2170   6.7750   1.4340 1.150000 1.881000 
1 1 1  -27    7   21 o   13.880   0.5321   14.150   0.7242   13.610   0.7798 0.5426000 1.064000 
1 1 1  -27    7   22 f   4.7890   1.0390   3.0710   1.3920   6.5080   1.5430 -3.437000 2.078000 
1 1 1  -27    7   23 f   16.380   0.4788   16.980   0.6248   15.780   0.7258 1.191000 0.9577000 
1 1 1  -27    7   24 o   11.940   0.6084   11.790   0.8145   12.090   0.9040 -0.2959000 1.217000 
1 1 1  -27    7   25 o   23.420   0.3231   23.370   0.4498   23.460   0.4640 -0.8741000E-01 0.6463000 
1 1 1  -27    7   26 o   11.690   0.6474   11.700   0.9090   11.680   0.9222 0.2031000E-01 1.295000 
1 1 1  -27    7   27 o   7.9830   0.8477   7.8660   1.1880   8.1010   1.2090 -0.2355000 1.695000 
1 1 1  -27    7   28 o   14.030   0.4858   14.060   0.6616   14.000   0.7117 0.5450000E-01 0.9717000 
1 1 1  -27    7   29 o   23.570   0.3508   23.460   0.4912   23.670   0.5010 -0.2035000 0.7016000 
1 1 1  -27    7   30 o   5.0850   1.2140   5.3300   1.6980   4.8400   1.7360 0.4903000 2.428000 
1 1 1  -27    7   31 o   5.4980   1.3270   6.1070   1.6890   4.8900   2.0480 1.217000 2.654000 
1 1 1  -27    7   32 o   13.800   0.8197   13.620   0.9984   13.980   1.3000 -0.3556000 1.639000 
1 1 1  -27    7   33 o   4.5890   1.3620   3.7210   1.6470   5.4580   2.1700 -1.737000 2.725000 
1 1 1  -27    7   34 o   5.4780   1.4510   6.4790   1.9990   4.4770   2.1040 2.001000 2.902000 
1 1 1  -27    7   35 o   6.7110   1.2650   7.4650   1.7100   5.9570   1.8650 1.508000 2.531000 
1 1 1  -27    7   36 o   4.2340   1.3390   4.5560   1.9250   3.9120   1.8610 0.6439000 2.678000 
1 1 1  -27    9    1 o   61.120   0.3995   60.660   0.5608   61.580   0.5690 -0.9116000 0.7989000 
1 1 1  -27    9    2 o  106.000   0.6712  105.700   0.9468  106.200   0.9516 -0.4064000 1.342000 
1 1 1  -27    9    3 o   46.350   0.3457   46.780   0.5272   45.920   0.4473 0.8672000 0.6914000 
1 1 1  -27    9    4 o   23.880   0.2863   24.800   0.4329   22.950   0.3747 1.855000 0.5725000 
1 1 1  -27    9    5 o   65.520   0.4252   65.640   0.6014   65.390   0.6013 0.2473000 0.8504000 
1 1 1  -27    9    6 o   40.220   0.2951   40.820   0.4184   39.620   0.4163 1.200000 0.5902000 
1 1 1  -27    9    7 o   97.000   0.6171   98.080   0.8815   95.910   0.8639 2.168000 1.234000 
1 1 1  -27    9    8 o   66.960   0.4370   66.920   0.6179   67.000   0.6181 -0.7978000E-01 0.8740000 
1 1 1  -27    9    9 o   13.270   0.4860   13.680   0.6073   12.860   0.7589 0.8227000 0.9720000 
1 1 1  -27    9   10 o   49.270   0.3456   49.520   0.4899   49.010   0.4876 0.5173000 0.6912000 
1 1 1  -27    9   11 o   11.760   0.6730   12.540   0.9126   10.980   0.9893 1.569000 1.346000 
1 1 1  -27    9   12 o   50.760   0.4174   50.230   0.5881   51.290   0.5926 -1.059000 0.8349000 
1 1 1  -27    9   13 o   35.340   0.4148   36.630   0.6512   34.050   0.5141 2.587000 0.8297000 
1 1 1  -27    9   14 o   59.300   0.4033   59.180   0.5684   59.430   0.5722 -0.2508000 0.8065000 
1 1 1  -27    9   15 o   10.220   0.7186   9.4430   1.0590   11.000   0.9712 -1.558000 1.437000 
1 1 1  -27    9   16 o   45.450   0.3991   45.470   0.5655   45.420   0.5635 0.5335000E-01 0.7983000 
1 1 1  -27    9   17 o   38.580   0.3786   38.600   0.5364   38.570   0.5346 0.2465000E-01 0.7573000 
1 1 1  -27    9   18 o   29.560   0.3200   30.080   0.4480   29.050   0.4571 1.031000 0.6401000 
1 1 1  -27    9   19 o   39.770   0.3260   39.530   0.4578   40.010   0.4642 -0.4715000 0.6520000 
1 1 1  -27    9   20 o   13.100   0.5323   13.150   0.7355   13.050   0.7697 0.1042000 1.065000 
1 1 1  -27    9   21 o   8.8950   0.8551   9.6690   1.0490   8.1200   1.3510 1.549000 1.710000 
1 1 1  -27    9   22 o   30.870   0.3650   31.130   0.5077   30.610   0.5244 0.5177000 0.7299000 
1 1 1  -27    9   23 o   19.820   0.4195   20.310   0.5587   19.330   0.6259 0.9858000 0.8390000 
1 1 1  -27    9   24 o   15.530   0.4277   15.390   0.5865   15.670   0.6228 -0.2790000 0.8555000 
1 1 1  -27    9   25 o   13.060   0.5044   13.330   0.6690   12.790   0.7552 0.5378000 1.009000 
1 1 1  -27    9   26 o   7.0870   1.0950   6.4590   1.6590   7.7140   1.4280 -1.254000 2.189000 
1 1 1  -27    9   27 o   11.530   0.5847   10.840   0.8430   12.220   0.8104 -1.382000 1.169000 
1 1 1  -27    9   28 o   15.930   0.4671   16.660   0.6221   15.200   0.6969 1.460000 0.9342000 
1 1 1  -27    9   29 o   9.7270   0.7755   10.340   1.0070   9.1170   1.1790 1.220000 1.551000 
1 1 1  -27    9   30 o   5.5480   1.2190   6.0770   1.6700   5.0190   1.7750 1.057000 2.437000 
1 1 1  -27    9   31 o   7.4150   1.1520   10.210   1.3340   4.6220   1.8790 5.585000 2.305000 
1 1 1  -27    9   32 o   5.3760   1.3000   5.9190   1.8370   4.8320   1.8400 1.087000 2.600000 
1 1 1  -27    9   33 f   10.010   1.1240   9.2270   1.3990   10.800   1.7590 -1.574000 2.248000 
1 1 1  -27    9   34 o   8.9780   1.4960   10.460   1.3980   7.4930   2.6440 2.970000 2.991000 
1 1 1  -27    9   35 o   3.6220   1.6870   3.6220   1.6870  ?   ?       ?      ? 
1 1 1  -27    9   36 o   2.9130   1.0420   2.6550   1.3290   3.1710   1.6060 -0.5157000 2.085000 
1 1 1  -27   11    1 o   60.040   0.3996   60.520   0.5689   59.560   0.5613 0.9597000 0.7992000 
1 1 1  -27   11    2 o   32.020   0.2825   31.780   0.3985   32.270   0.4006 -0.4961000 0.5651000 
1 1 1  -27   11    3 o   46.730   0.3305   47.100   0.4687   46.370   0.4660 0.7358000 0.6609000 
1 1 1  -27   11    4 o   81.490   0.5666   81.540   0.7413   81.430   0.8571 0.1182000 1.133000 
1 1 1  -27   11    5 o   39.530   0.3324   40.070   0.5039   38.990   0.4337 1.085000 0.6648000 
1 1 1  -27   11    6 o   52.060   0.3597   52.170   0.5077   51.950   0.5096 0.2163000 0.7193000 
1 1 1  -27   11    7 o   56.090   0.3821   56.950   0.5442   55.240   0.5365 1.710000 0.7642000 
1 1 1  -27   11    8 o   17.600   0.4048   18.450   0.5214   16.750   0.6193 1.700000 0.8096000 
1 1 1  -27   11    9 o   37.180   0.3725   37.250   0.5330   37.100   0.5206 0.1463000 0.7450000 
1 1 1  -27   11   10 o   28.200   0.3832   28.190   0.5408   28.220   0.5429 -0.2930000E-01 0.7663000 
1 1 1  -27   11   11 o   40.110   0.3863   41.180   0.5534   39.040   0.5392 2.147000 0.7726000 
1 1 1  -27   11   12 o   27.460   0.3362   27.430   0.4707   27.480   0.4803 -0.4509000E-01 0.6725000 
1 1 1  -27   11   13 o   14.610   0.6227   14.830   0.8433   14.390   0.9166 0.4390000 1.245000 
1 1 1  -27   11   14 o   62.830   0.4940   62.590   0.6953   63.070   0.7019 -0.4738000 0.9880000 
1 1 1  -27   11   15 o   31.860   0.3346   31.900   0.4669   31.820   0.4794 0.8362000E-01 0.6692000 
1 1 1  -27   11   16 o   51.710   0.3736   51.610   0.5238   51.810   0.5328 -0.1970000 0.7472000 
1 1 1  -27   11   17 o   15.010   0.5170   16.740   0.6274   13.290   0.8218 3.450000 1.034000 
1 1 1  -27   11   18 o   29.840   0.3237   29.900   0.4514   29.790   0.4642 0.1131000 0.6475000 
1 1 1  -27   11   19 o   17.400   0.4267   17.640   0.5869   17.170   0.6196 0.4689000 0.8534000 
1 1 1  -27   11   20 o   19.300   0.5091   20.150   0.6573   18.450   0.7776 1.706000 1.018000 
1 1 1  -27   11   21 o   24.330   0.4485   24.020   0.6006   24.640   0.6663 -0.6186000 0.8970000 
1 1 1  -27   11   22 o   10.150   0.6711   10.130   0.9350   10.170   0.9629 -0.4407000E-01 1.342000 
1 1 1  -27   11   23 o   33.520   0.3159   33.930   0.4466   33.110   0.4470 0.8208000 0.6318000 
1 1 1  -27   11   24 o   3.9870   1.0980   4.3930   1.5820   3.5800   1.5240 0.8123000 2.197000 
1 1 1  -27   11   25 o   18.450   0.4714   19.420   0.6536   17.480   0.6794 1.941000 0.9427000 
1 1 1  -27   11   26 o   8.7090   0.9880   7.3190   1.5940   10.100   1.1680 -2.782000 1.976000 
1 1 1  -27   11   27 o   9.3550   0.7709   9.3680   1.0490   9.3420   1.1300 0.2607000E-01 1.542000 
1 1 1  -27   11   28 o   11.740   0.6458   11.270   0.9045   12.210   0.9220 -0.9358000 1.292000 
1 1 1  -27   11   29 o   6.5760   1.2510   5.9220   1.7030   7.2310   1.8320 -1.309000 2.501000 
1 1 1  -27   11   30 o   10.930   1.2210   10.410   1.3790   11.450   2.0140 -1.045000 2.441000 
1 1 1  -27   11   31 o   8.1400   1.3090   8.5130   1.4750   7.7670   2.1630 0.7461000 2.619000 
1 1 1  -27   11   32 o   4.9900   1.3940   4.9310   1.8430   5.0500   2.0930 -0.1189000 2.788000 
1 1 1  -27   11   33 o   5.4090   1.3830   4.6080   1.8800   6.2100   2.0280 -1.602000 2.766000 
1 1 1  -27   11   34 o   5.2980   1.3540   6.4650   2.0140   4.1320   1.8090 2.333000 2.707000 
1 1 1  -27   11   35 o   2.1000   0.7604   2.0700   1.0620   2.1310   1.0890 -0.6080000E-01 1.521000 
1 1 1  -27   13    1 o   67.120   0.5146   67.060   0.7258   67.170   0.7298 -0.1065000 1.029000 
1 1 1  -27   13    2 o   25.630   0.3876   25.910   0.5261   25.340   0.5693 0.5698000 0.7752000 
1 1 1  -27   13    3 o   56.340   0.4491   56.600   0.6339   56.090   0.6362 0.5126000 0.8981000 
1 1 1  -27   13    4 o   29.670   0.3678   29.630   0.5071   29.700   0.5329 -0.7018000E-01 0.7356000 
1 1 1  -27   13    5 o   22.590   0.4123   22.090   0.5685   23.100   0.5974 -1.009000 0.8247000 
1 1 1  -27   13    6 o   23.120   0.4767   22.020   0.5909   24.220   0.7482 -2.192000 0.9534000 
1 1 1  -27   13    7 o   14.510   0.6346   14.800   0.8321   14.210   0.9584 0.5910000 1.269000 
1 1 1  -27   13    8 o   30.480   0.3939   30.360   0.5403   30.590   0.5732 -0.2386000 0.7877000 
1 1 1  -27   13    9 o   10.050   1.0280   8.2040   1.4740   11.890   1.4330 -3.688000 2.056000 
1 1 1  -27   13   10 o   62.530   0.5528   62.400   0.6941   62.660   0.8605 -0.2631000 1.106000 
1 1 1  -27   13   11 o   8.9450   1.1220   7.3100   1.8020   10.580   1.3360 -3.269000 2.244000 
1 1 1  -27   13   12 o   22.070   0.4109   21.780   0.5731   22.360   0.5890 -0.5786000 0.8218000 
1 1 1  -27   13   13 o   16.860   0.5019   16.420   0.7153   17.290   0.7043 -0.8731000 1.004000 
1 1 1  -27   13   14 o   37.270   0.3383   37.250   0.4756   37.290   0.4813 -0.3896000E-01 0.6766000 
1 1 1  -27   13   15 o   28.560   0.3474   28.370   0.4852   28.760   0.4974 -0.3894000 0.6949000 
1 1 1  -27   13   16 o   18.370   0.4371   18.480   0.6070   18.260   0.6290 0.2296000 0.8742000 
1 1 1  -27   13   17 o   21.430   0.3826   21.360   0.5257   21.490   0.5560 -0.1255000 0.7652000 
1 1 1  -27   13   18 o   22.200   0.4240   21.670   0.5871   22.730   0.6120 -1.062000 0.8480000 
1 1 1  -27   13   19 o   28.000   0.4368   28.320   0.5850   27.690   0.6488 0.6300000 0.8735000 
1 1 1  -27   13   20 o   11.910   0.6451   11.040   0.9410   12.790   0.8826 -1.753000 1.290000 
1 1 1  -27   13   21 o   23.030   0.3473   23.440   0.4797   22.610   0.5023 0.8219000 0.6946000 
1 1 1  -27   13   22 o   16.570   0.4353   16.990   0.5853   16.140   0.6445 0.8464000 0.8706000 
1 1 1  -27   13   23 o   29.170   0.3220   29.050   0.4448   29.290   0.4658 -0.2395000 0.6441000 
1 1 1  -27   13   24 o   5.3300   1.1740   4.8150   1.6500   5.8460   1.6710 -1.031000 2.349000 
1 1 1  -27   13   25 o   22.230   0.4458   21.440   0.6482   23.030   0.6122 -1.586000 0.8916000 
1 1 1  -27   13   26 o   15.410   0.5690   15.250   0.6877   15.560   0.9068 -0.3102000 1.138000 
1 1 1  -27   13   27 o   19.700   0.5075   20.580   0.5768   18.830   0.8353 1.752000 1.015000 
1 1 1  -27   13   28 o   4.6050   1.2750   4.8510   1.7240   4.3580   1.8790 0.4930000 2.550000 
1 1 1  -27   13   29 o   12.980   0.7991   14.360   0.9780   11.590   1.2640 2.769000 1.598000 
1 1 1  -27   13   30 o   12.880   0.7051   13.630   0.8957   12.130   1.0890 1.492000 1.410000 
1 1 1  -27   13   31 o   4.4120   1.2610   3.8100   1.6700   5.0150   1.8900 -1.205000 2.522000 
1 1 1  -27   13   32 o   6.9260   1.2770   6.2690   1.8390   7.5830   1.7730 -1.313000 2.555000 
1 1 1  -27   13   33 o   2.9400   1.0340   3.1260   1.5360   2.7540   1.3840 0.3724000 2.068000 
1 1 1  -27   13   34 o   2.2230   0.8019   2.0400   1.0460   2.4060   1.2160 -0.3660000 1.604000 
1 1 1  -27   15    1 f   26.300   0.4332   25.140   0.5155   27.450   0.6963 -2.309000 0.8664000 
1 1 1  -27   15    2 o   20.720   0.4622   19.770   0.6664   21.670   0.6407 -1.900000 0.9244000 
1 1 1  -27   15    3 o   15.540   0.5839   15.070   0.8355   16.010   0.8158 -0.9476000 1.168000 
1 1 1  -27   15    4 o   65.410   0.5061   65.760   0.7184   65.050   0.7130 0.7178000 1.012000 
1 1 1  -27   15    5 o   31.750   0.3417   31.770   0.4671   31.740   0.4989 0.3521000E-01 0.6834000 
1 1 1  -27   15    6 o   49.300   0.3663   49.180   0.5122   49.420   0.5238 -0.2389000 0.7326000 
1 1 1  -27   15    7 o   16.780   0.5189   17.680   0.6583   15.880   0.8024 1.794000 1.038000 
1 1 1  -27   15    8 o   22.690   0.4095   22.580   0.5541   22.800   0.6031 -0.2147000 0.8190000 
1 1 1  -27   15    9 o   37.370   0.3403   36.950   0.4685   37.780   0.4938 -0.8314000 0.6807000 
1 1 1  -27   15   10 o   15.290   0.5591   14.590   0.7818   16.000   0.7994 -1.414000 1.118000 
1 1 1  -27   15   11 o   33.740   0.3646   33.350   0.5371   34.130   0.4932 -0.7786000 0.7292000 
1 1 1  -27   15   12 o   18.960   0.4651   19.130   0.6465   18.800   0.6689 0.3273000 0.9302000 
1 1 1  -27   15   13 o   7.0930   1.1380   6.0560   1.7510   8.1290   1.4530 -2.073000 2.275000 
1 1 1  -27   15   14 o   11.450   0.6928   11.230   0.9725   11.680   0.9869 -0.4521000 1.386000 
1 1 1  -27   15   15 o   20.290   0.4223   20.720   0.5790   19.850   0.6147 0.8677000 0.8445000 
1 1 1  -27   15   16 o   5.1520   1.2740   5.8130   1.8010   4.4900   1.8020 1.324000 2.548000 
1 1 1  -27   15   17 o   4.2550   1.1640   5.3220   1.7800   3.1880   1.5010 2.134000 2.328000 
1 1 1  -27   15   18 o   26.690   0.3807   27.190   0.5234   26.180   0.5531 1.009000 0.7615000 
1 1 1  -27   15   19 o   10.490   0.6977   10.530   0.9452   10.450   1.0260 0.8222000E-01 1.395000 
1 1 1  -27   15   20 o   9.2300   0.8420   7.8970   1.2530   10.560   1.1250 -2.665000 1.684000 
1 1 1  -27   15   21 o   4.5990   1.2160   4.7540   1.6360   4.4440   1.7990 0.3099000 2.432000 
1 1 1  -27   15   22 o   16.040   0.5398   15.890   0.6456   16.180   0.8653 -0.2942000 1.080000 
1 1 1  -27   15   23 o   23.280   0.4349   23.180   0.5319   23.390   0.6881 -0.2150000 0.8697000 
1 1 1  -27   15   24 o   22.560   0.4768   22.430   0.6357   22.690   0.7109 -0.2535000 0.9536000 
1 1 1  -27   15   25 o   19.600   0.4303   19.450   0.5873   19.750   0.6290 -0.3013000 0.8606000 
1 1 1  -27   15   26 o   4.5410   1.1850   3.5230   1.5570   5.5600   1.7870 -2.038000 2.370000 
1 1 1  -27   15   27 o   5.2680   1.3430   4.1610   1.7700   6.3750   2.0210 -2.214000 2.687000 
1 1 1  -27   15   28 o   4.2780   1.2510   3.2770   1.5200   5.2790   1.9890 -2.002000 2.503000 
1 1 1  -27   15   29 o   7.2470   1.2020   8.3300   1.4730   6.1630   1.9000 2.167000 2.404000 
1 1 1  -27   15   30 o   10.360   0.9205   11.530   1.0930   9.1950   1.4820 2.330000 1.841000 
1 1 1  -27   15   31 o   12.060   0.7799   13.040   0.9875   11.070   1.2070 1.966000 1.560000 
1 1 1  -27   15   32 o   3.1660   1.1000   3.4680   1.6680   2.8640   1.4330 0.6036000 2.199000 
1 1 1  -27   15   33 o   3.2470   1.0700   2.7900   1.3620   3.7040   1.6510 -0.9145000 2.141000 
1 1 1  -27   17    1 o   13.440   0.6072   13.200   0.8650   13.680   0.8524 -0.4790000 1.214000 
1 1 1  -27   17    2 o   51.010   0.3741   50.910   0.5255   51.120   0.5327 -0.2081000 0.7483000 
1 1 1  -27   17    3 o   20.480   0.4197   20.590   0.5827   20.380   0.6043 0.2104000 0.8395000 
1 1 1  -27   17    4 o   27.360   0.3518   27.210   0.4957   27.510   0.4993 -0.3012000 0.7036000 
1 1 1  -27   17    5 o   5.3090   1.2500   4.4170   1.7150   6.2020   1.8180 -1.785000 2.499000 
1 1 1  -27   17    6 o   14.130   0.6071   14.960   0.7645   13.300   0.9432 1.664000 1.214000 
1 1 1  -27   17    7 o   26.420   0.3712   26.030   0.5052   26.810   0.5441 -0.7805000 0.7424000 
1 1 1  -27   17    8 o   35.390   0.3408   35.350   0.4696   35.430   0.4940 -0.7930000E-01 0.6816000 
1 1 1  -27   17    9 o   12.320   0.6830   11.060   1.0070   13.590   0.9229 -2.524000 1.366000 
1 1 1  -27   17   10 o   16.430   0.5097   16.190   0.6911   16.680   0.7493 -0.4890000 1.019000 
1 1 1  -27   17   11 f   24.380   0.3777   24.820   0.5059   23.950   0.5610 0.8664000 0.7554000 
1 1 1  -27   17   12 o   10.020   0.9692   7.6110   1.5570   12.430   1.1550 -4.820000 1.938000 
1 1 1  -27   17   13 o   26.960   0.4111   26.670   0.5651   27.250   0.5972 -0.5801000 0.8222000 
1 1 1  -27   17   14 o   18.900   0.5026   19.020   0.6855   18.780   0.7352 0.2428000 1.005000 
1 1 1  -27   17   15 o   15.410   0.6014   15.420   0.7208   15.400   0.9629 0.2519000E-01 1.203000 
1 1 1  -27   17   16 o   18.970   0.5174   18.390   0.6489   19.550   0.8059 -1.160000 1.035000 
1 1 1  -27   17   17 o   8.8990   1.0320   7.6160   1.4860   10.180   1.4320 -2.566000 2.064000 
1 1 1  -27   17   18 o   16.620   0.5570   16.820   0.6372   16.420   0.9138 0.3988000 1.114000 
1 1 1  -27   17   19 o   23.880   0.4323   23.700   0.5081   24.070   0.6996 -0.3746000 0.8646000 
1 1 1  -27   17   20 o   8.1980   0.9506   6.7080   1.5160   9.6870   1.1470 -2.979000 1.901000 
1 1 1  -27   17   21 o   13.780   0.5518   13.300   0.7703   14.270   0.7902 -0.9723000 1.104000 
1 1 1  -27   17   22 o   11.000   0.8310   12.200   1.0460   9.7970   1.2920 2.406000 1.662000 
1 1 1  -27   17   23 o   7.9250   1.1480   7.0140   1.7620   8.8360   1.4710 -1.822000 2.296000 
1 1 1  -27   17   24 o   13.190   0.6107   13.070   0.8433   13.310   0.8835 -0.2380000 1.221000 
1 1 1  -27   17   25 o   4.4410   1.2480   5.6000   1.9470   3.2820   1.5620 2.318000 2.496000 
1 1 1  -27   17   26 o   10.350   1.0350   9.5350   1.5300   11.170   1.3930 -1.632000 2.069000 
1 1 1  -27   17   27 o   14.860   0.6095   14.970   0.8030   14.740   0.9171 0.2239000 1.219000 
1 1 1  -27   17   28 o   8.4680   1.0850   7.5220   1.6520   9.4150   1.4080 -1.893000 2.171000 
1 1 1  -27   17   29 o   3.7170   1.1740   3.6700   1.6370   3.7640   1.6820 -0.9347000E-01 2.347000 
1 1 1  -27   17   30 o   3.5210   1.1250   2.6830   1.3170   4.3600   1.8240 -1.678000 2.250000 
1 1 1  -27   17   31 o   4.0330   1.2990   4.6240   2.0000   3.4420   1.6590 1.181000 2.599000 
1 1 1  -27   17   32 o   2.2450   0.8018   2.2250   1.1250   2.2650   1.1430 -0.3968000E-01 1.604000 
1 1 1  -27   19    1 o   7.9890   1.1380   6.4380   1.8100   9.5400   1.3790 -3.102000 2.276000 
1 1 1  -27   19    2 o   7.8520   1.1540   8.9870   1.3790   6.7160   1.8500 2.271000 2.308000 
1 1 1  -27   19    3 o   6.8910   1.2440   6.5110   1.7720   7.2720   1.7470 -0.7610000 2.488000 
1 1 1  -27   19    4 o   27.460   0.3881   27.390   0.5393   27.520   0.5582 -0.1288000 0.7762000 
1 1 1  -27   19    5 o   20.890   0.4815   20.750   0.6198   21.030   0.7370 -0.2819000 0.9629000 
1 1 1  -27   19    6 o   8.4870   1.1190   7.6240   1.5660   9.3500   1.5990 -1.726000 2.238000 
1 1 1  -27   19    7 f   29.140   0.4014   28.890   0.5349   29.400   0.5987 -0.5053000 0.8028000 
1 1 1  -27   19    8 o   15.890   0.6887   16.890   0.7271   14.900   1.1700 1.992000 1.377000 
1 1 1  -27   19    9 o   4.7950   1.3030   3.3310   1.5030   6.2590   2.1280 -2.928000 2.605000 
1 1 1  -27   19   10 o   15.890   0.6032   15.710   0.6857   16.060   0.9925 -0.3521000 1.206000 
1 1 1  -27   19   11 o   30.280   0.4042   30.680   0.4626   29.870   0.6630 0.8093000 0.8084000 
1 1 1  -27   19   12 o   37.050   0.4038   37.180   0.4585   36.920   0.6648 0.2594000 0.8075000 
1 1 1  -27   19   13 o   18.890   0.5326   18.400   0.6789   19.380   0.8208 -0.9813000 1.065000 
1 1 1  -27   19   14 o   22.790   0.4322   22.790   0.5800   22.780   0.6409 0.8793000E-02 0.8644000 
1 1 1  -27   19   15 o   12.350   0.6302   11.400   0.9242   13.310   0.8570 -1.912000 1.260000 
1 1 1  -27   19   16 o   12.170   0.6610   13.350   0.8094   11.000   1.0450 2.350000 1.322000 
1 1 1  -27   19   17 o   22.480   0.3937   22.490   0.5424   22.470   0.5709 0.1842000E-01 0.7875000 
1 1 1  -27   19   18 o   21.910   0.4038   22.060   0.5548   21.760   0.5868 0.3036000 0.8075000 
1 1 1  -27   19   19 o   13.360   0.5904   13.140   0.8242   13.580   0.8455 -0.4399000 1.181000 
1 1 1  -27   19   20 o   15.790   0.6106   15.770   0.8545   15.820   0.8725 -0.4453000E-01 1.221000 
1 1 1  -27   19   21 o   18.840   0.5364   19.200   0.7315   18.490   0.7848 0.7102000 1.073000 
1 1 1  -27   19   22 o   17.400   0.5098   17.610   0.6906   17.190   0.7501 0.4210000 1.020000 
1 1 1  -27   19   23 o   13.790   0.7814   12.140   1.2180   15.440   0.9796 -3.305000 1.563000 
1 1 1  -27   19   24 o   6.7200   1.3450   5.1380   1.9680   8.3020   1.8340 -3.164000 2.690000 
1 1 1  -27   19   25 o   12.920   0.6995   13.690   0.8637   12.160   1.1010 1.533000 1.399000 
1 1 1  -27   19   26 o   4.6890   1.2440   3.5280   1.5860   5.8500   1.9160 -2.322000 2.487000 
1 1 1  -27   19   27 o   6.6960   1.2720   7.4950   1.6930   5.8970   1.8970 1.598000 2.543000 
1 1 1  -27   19   28 o   4.7830   1.2890   4.1110   1.7410   5.4540   1.9010 -1.342000 2.578000 
1 1 1  -27   19   29 o   3.5880   1.1830   3.2960   1.5680   3.8800   1.7720 -0.5841000 2.366000 
1 1 1  -27   19   30 o   6.1180   1.3700   7.2800   1.9040   4.9570   1.9710 2.323000 2.741000 
1 1 1  -27   19   31 o   2.3570   0.8362   2.4140   1.2060   2.3000   1.1580 0.1132000 1.672000 
1 1 1  -27   21    1 o   6.0310   1.4200   5.2160   1.8790   6.8470   2.1290 -1.630000 2.839000 
1 1 1  -27   21    2 o   14.450   0.6987   14.670   0.7390   14.230   1.1860 0.4335000 1.397000 
1 1 1  -27   21    3 o   23.640   0.4747   23.640   0.5119   23.640   0.7996 0.4906000E-02 0.9494000 
1 1 1  -27   21    4 o   18.080   0.5720   17.940   0.6160   18.210   0.9639 -0.2735000 1.144000 
1 1 1  -27   21    5 o   38.620   0.4236   38.320   0.4704   38.920   0.7046 -0.5962000 0.8472000 
1 1 1  -27   21    6 o   24.100   0.4548   23.260   0.5145   24.940   0.7501 -1.678000 0.9096000 
1 1 1  -27   21    7 o   32.020   0.3991   31.960   0.5486   32.070   0.5797 -0.1119000 0.7981000 
1 1 1  -27   21    8 o   23.000   0.4501   23.200   0.6094   22.810   0.6624 0.3881000 0.9001000 
1 1 1  -27   21    9 o   17.830   0.5366   18.000   0.7218   17.660   0.7942 0.3433000 1.073000 
1 1 1  -27   21   10 o   22.030   0.4551   22.270   0.6203   21.800   0.6661 0.4651000 0.9102000 
1 1 1  -27   21   11 o   6.0710   1.2510   6.2210   1.7700   5.9210   1.7670 0.3000000 2.501000 
1 1 1  -27   21   12 o   8.1180   0.9639   8.2900   1.2480   7.9450   1.4690 0.3455000 1.928000 
1 1 1  -27   21   13 f   4.9340   1.2180   5.2080   1.6680   4.6610   1.7740 0.5468000 2.435000 
1 1 1  -27   21   14 o   17.590   0.4670   17.090   0.6328   18.090   0.6869 -0.9935000 0.9339000 
1 1 1  -27   21   15 o   18.500   0.4543   18.310   0.5970   18.680   0.6850 -0.3698000 0.9086000 
1 1 1  -27   21   16 o   10.840   0.7719   10.990   1.0580   10.680   1.1240 0.3108000 1.544000 
1 1 1  -27   21   17 o   10.850   0.7680   11.060   1.0290   10.640   1.1410 0.4168000 1.536000 
1 1 1  -27   21   18 o   4.4170   1.2800   4.7950   1.8580   4.0380   1.7620 0.7567000 2.561000 
1 1 1  -27   21   19 o   4.8120   1.3310   5.2900   1.9330   4.3350   1.8300 0.9546000 2.662000 
1 1 1  -27   21   20 o   6.6030   1.2940   4.2700   1.8560   8.9360   1.8030 -4.666000 2.587000 
1 1 1  -27   21   21 o   8.6010   1.2810   6.7120   2.0380   10.490   1.5530 -3.778000 2.563000 
1 1 1  -27   21   22 o   4.7080   1.2940   4.4740   1.7610   4.9420   1.8960 -0.4685000 2.588000 
1 1 1  -27   21   23 o   4.1990   1.2450   4.3650   1.7790   4.0340   1.7430 0.3311000 2.491000 
1 1 1  -27   21   24 o   4.7610   1.2980   4.1490   1.7400   5.3720   1.9260 -1.223000 2.595000 
1 1 1  -27   21   25 o   3.8170   1.1870   3.2290   1.5180   4.4050   1.8260 -1.176000 2.375000 
1 1 1  -27   21   26 o   7.2080   1.2520   7.6520   1.7170   6.7630   1.8220 0.8882000 2.504000 
1 1 1  -27   21   27 o   3.6100   1.1770   3.1780   1.5290   4.0420   1.7910 -0.8637000 2.355000 
1 1 1  -27   21   28 o   2.6670   0.9296   2.6180   1.2940   2.7160   1.3350 -0.9824000E-01 1.859000 
1 1 1  -27   21   29 o   4.3420   1.2400   5.3520   1.9140   3.3310   1.5760 2.021000 2.479000 
1 1 1  -27   23    1 o   5.9860   1.1350   7.2850   1.4580   4.6880   1.7400 2.597000 2.270000 
1 1 1  -27   23    2 f   7.6110   1.0250   8.1920   1.3030   7.0290   1.5830 1.163000 2.051000 
1 1 1  -27   23    3 o   18.780   0.4262   18.810   0.5848   18.760   0.6201 0.5112000E-01 0.8524000 
1 1 1  -27   23    4 o   6.9320   1.0750   8.0790   1.3140   5.7850   1.7020 2.295000 2.150000 
1 1 1  -27   23    5 o   6.9380   1.1220   7.5790   1.4060   6.2970   1.7480 1.282000 2.244000 
1 1 1  -27   23    6 f   17.510   0.4736   18.210   0.6109   16.810   0.7239 1.399000 0.9472000 
1 1 1  -27   23    7 o   13.410   0.5981   13.210   0.8029   13.610   0.8867 -0.3970000 1.196000 
1 1 1  -27   23    8 o   22.680   0.3966   22.740   0.5345   22.620   0.5860 0.1247000 0.7931000 
1 1 1  -27   23    9 o   8.8190   0.9214   8.8780   1.2010   8.7590   1.3980 0.1188000 1.843000 
1 1 1  -27   23   10 o   12.400   0.6577   11.610   0.9387   13.190   0.9216 -1.578000 1.315000 
1 1 1  -27   23   11 f   13.020   0.6268   12.750   0.8575   13.290   0.9144 -0.5457000 1.254000 
1 1 1  -27   23   12 o   9.2920   0.8868   9.5710   1.1240   9.0120   1.3720 0.5588000 1.774000 
1 1 1  -27   23   13 f   11.350   0.7350   11.450   0.9493   11.250   1.1230 0.2031000 1.470000 
1 1 1  -27   23   14 o   13.120   0.6479   13.980   0.7955   12.260   1.0230 1.718000 1.296000 
1 1 1  -27   23   15 o   3.7900   1.1910   3.8370   1.6720   3.7430   1.6970 0.9406000E-01 2.382000 
1 1 1  -27   23   16 o   14.350   0.6905   13.210   1.0170   15.480   0.9339 -2.266000 1.381000 
1 1 1  -27   23   17 o   5.0680   1.4910   4.8880   2.0750   5.2480   2.1430 -0.3597000 2.983000 
1 1 1  -27   23   18 o   3.6660   1.1990   4.3120   1.8900   3.0200   1.4750 1.292000 2.398000 
1 1 1  -27   23   19 o   15.290   0.6103   15.690   0.8243   14.890   0.9003 0.7966000 1.221000 
1 1 1  -27   23   20 o   3.8050   1.1860   3.9470   1.6960   3.6640   1.6600 0.2828000 2.373000 
1 1 1  -27   23   21 o   13.420   0.7114   13.750   0.9218   13.080   1.0840 0.6605000 1.423000 
1 1 1  -27   23   22 o   4.1870   1.2030   5.2730   1.8830   3.1020   1.4960 2.171000 2.405000 
1 1 1  -27   23   23 o   4.8940   1.3170   5.6150   1.9110   4.1740   1.8120 1.441000 2.634000 
1 1 1  -27   23   24 o   3.4550   1.1450   3.4210   1.5890   3.4890   1.6490 -0.6752000E-01 2.290000 
1 1 1  -27   23   25 o   3.4620   1.1430   3.8780   1.7390   3.0460   1.4840 0.8326000 2.286000 
1 1 1  -27   23   26 o   5.5560   1.1300   7.7260   1.6290   3.3860   1.5660 4.341000 2.259000 
1 1 1  -27   23   27 o   2.7200   0.9522   2.7680   1.3640   2.6720   1.3290 0.9611000E-01 1.904000 
1 1 1  -27   25    1 o   11.210   0.7349   11.290   1.0070   11.130   1.0700 0.1638000 1.470000 
1 1 1  -27   25    2 o   15.580   0.5373   15.080   0.7775   16.070   0.7419 -0.9856000 1.075000 
1 1 1  -27   25    3 f   13.470   0.6065   13.580   0.8414   13.360   0.8737 0.2223000 1.213000 
1 1 1  -27   25    4 o   13.030   0.6280   13.310   0.8613   12.760   0.9141 0.5452000 1.256000 
1 1 1  -27   25    5 o   7.4360   1.1080   9.2490   1.2260   5.6230   1.8450 3.626000 2.215000 
1 1 1  -27   25    6 o   10.850   0.7794   11.060   1.0270   10.640   1.1730 0.4270000 1.559000 
1 1 1  -27   25    7 o   4.5420   1.1280   6.0590   1.7330   3.0250   1.4440 3.034000 2.256000 
1 1 1  -27   25    8 f   11.460   0.7708   12.620   0.9049   10.300   1.2480 2.317000 1.542000 
1 1 1  -27   25    9 o   4.0490   1.2070   3.9190   1.6550   4.1800   1.7570 -0.2616000 2.413000 
1 1 1  -27   25   10 o   9.0170   1.0870   8.4620   1.5800   9.5710   1.4930 -1.109000 2.174000 
1 1 1  -27   25   11 o   5.4070   1.3690   5.9280   1.9410   4.8860   1.9310 1.042000 2.737000 
1 1 1  -27   25   12 o   9.1520   1.3740   9.2250   1.9100   9.0800   1.9740 0.1446000 2.747000 
1 1 1  -27   25   13 o   19.500   0.6891   19.250   0.9787   19.750   0.9704 -0.5011000 1.378000 
1 1 1  -27   25   14 o   5.0190   1.3870   5.3070   1.9800   4.7320   1.9420 0.5754000 2.774000 
1 1 1  -27   25   15 o   10.680   0.8220   9.7850   1.2170   11.570   1.1050 -1.786000 1.644000 
1 1 1  -27   25   16 o   11.990   0.7536   12.330   0.9967   11.650   1.1300 0.6833000 1.507000 
1 1 1  -27   25   17 o   3.7440   1.1450   4.5900   1.8050   2.8970   1.4100 1.693000 2.290000 
1 1 1  -27   25   18 o   7.8000   1.2120   8.1430   1.6060   7.4580   1.8160 0.6850000 2.424000 
1 1 1  -27   25   19 o   5.2690   1.2210   6.9370   1.8100   3.6010   1.6410 3.337000 2.443000 
1 1 1  -27   25   20 o   4.1570   1.2760   4.4440   1.8910   3.8690   1.7120 0.5758000 2.551000 
1 1 1  -27   25   21 o   6.7310   1.3270   6.1020   1.9360   7.3600   1.8160 -1.259000 2.654000 
1 1 1  -27   25   22 o   3.9070   1.2490   3.9600   1.7750   3.8540   1.7580 0.1055000 2.498000 
1 1 1  -27   25   23 o   7.3230   1.3000   8.2620   1.7680   6.3850   1.9050 1.877000 2.599000 
1 1 1  -27   25   24 o   2.8310   0.9719   2.4200   1.2080   3.2420   1.5230 -0.8214000 1.944000 
1 1 1  -27   25   25 o   3.6350   1.1630   2.9710   1.4390   4.2990   1.8280 -1.328000 2.326000 
1 1 1  -27   27    1 o   6.0070   1.3980   6.3970   1.9730   5.6180   1.9810 0.7794000 2.796000 
1 1 1  -27   27    2 o   11.000   0.9145   11.600   1.2290   10.390   1.3540 1.208000 1.829000 
1 1 1  -27   27    3 o   19.200   0.5520   19.670   0.7704   18.730   0.7907 0.9401000 1.104000 
1 1 1  -27   27    4 o   8.4650   1.1850   8.2260   1.7130   8.7040   1.6380 -0.4786000 2.370000 
1 1 1  -27   27    5 o   7.9150   1.2690   8.2160   1.6900   7.6130   1.8950 0.6030000 2.539000 
1 1 1  -27   27    6 o   6.2340   1.2690   4.1650   1.7900   8.3020   1.8000 -4.136000 2.539000 
1 1 1  -27   27    7 o   7.4780   1.3380   7.4270   1.8560   7.5290   1.9280 -0.1019000 2.676000 
1 1 1  -27   27    8 o   7.5900   1.1370   9.3150   1.2750   5.8640   1.8830 3.451000 2.274000 
1 1 1  -27   27    9 f   5.1600   1.2970   4.5850   1.7740   5.7340   1.8940 -1.150000 2.595000 
1 1 1  -27   27   10 o   4.3720   1.1910   5.4790   1.8240   3.2640   1.5330 2.215000 2.383000 
1 1 1  -27   27   11 o   5.2170   1.2840   5.7360   1.8060   4.6970   1.8240 1.039000 2.567000 
1 1 1  -27   27   12 o   12.040   0.7466   11.310   1.1080   12.770   1.0010 -1.457000 1.493000 
1 1 1  -27   27   13 o   6.1140   1.2630   7.3400   1.7100   4.8880   1.8600 2.452000 2.526000 
1 1 1  -27   27   14 o   4.3650   1.2460   4.9210   1.8360   3.8090   1.6840 1.112000 2.492000 
1 1 1  -27   27   15 o   4.1430   1.2380   3.6850   1.6450   4.6010   1.8490 -0.9165000 2.475000 
1 1 1  -27   27   16 o   5.4540   1.2130   7.1700   1.7540   3.7390   1.6760 3.430000 2.426000 
1 1 1  -27   27   17 o   8.5970   1.1320   6.8300   1.8430   10.360   1.3140 -3.533000 2.264000 
1 1 1  -27   27   18 o   3.3830   1.1250   2.5000   1.2560   4.2660   1.8670 -1.766000 2.250000 
1 1 1  -27   27   19 o   5.4270   1.3840   6.2990   2.0100   4.5540   1.9020 1.745000 2.768000 
1 1 1  -27   27   20 o   4.7260   1.2980   4.6100   1.8270   4.8430   1.8450 -0.2338000 2.597000 
1 1 1  -27   27   21 o   4.2130   1.2370   4.3370   1.7700   4.0890   1.7280 0.2481000 2.474000 
1 1 1  -27   27   22 o   2.7850   0.9574   2.5230   1.2500   3.0470   1.4500 -0.5242000 1.915000 
1 1 1  -27   29    1 o   3.8080   1.1900   3.8990   1.7010   3.7180   1.6650 0.1804000 2.380000 
1 1 1  -27   29    2 o   4.7900   1.2830   5.4140   1.8730   4.1660   1.7530 1.248000 2.566000 
1 1 1  -27   29    3 f   6.0560   1.2770   7.1900   1.7540   4.9220   1.8570 2.268000 2.555000 
1 1 1  -27   29    4 o   5.2140   1.3070   4.9070   1.8390   5.5200   1.8560 -0.6128000 2.613000 
1 1 1  -27   29    5 o   5.0440   1.2780   5.9010   1.8620   4.1870   1.7520 1.715000 2.556000 
1 1 1  -27   29    6 o   4.3170   1.1910   3.1010   1.4700   5.5340   1.8730 -2.433000 2.381000 
1 1 1  -27   29    7 o   6.2400   1.3250   6.4450   1.8480   6.0350   1.8980 0.4102000 2.649000 
1 1 1  -27   29    8 o   8.7040   1.0930   7.3170   1.7210   10.090   1.3470 -2.774000 2.185000 
1 1 1  -27   29    9 o   7.4020   1.2330   7.8620   1.6230   6.9420   1.8570 0.9197000 2.466000 
1 1 1  -27   29   10 o   4.5480   1.2900   4.2620   1.7680   4.8350   1.8780 -0.5722000 2.579000 
1 1 1  -27   29   11 o   14.020   0.6695   14.420   0.8980   13.620   0.9933 0.8068000 1.339000 
1 1 1  -27   29   12 o   9.8700   1.0390   10.830   1.1870   8.9080   1.7050 1.925000 2.078000 
1 1 1  -27   29   13 o   5.4730   1.4100   5.1820   1.9580   5.7640   2.0300 -0.5815000 2.820000 
1 1 1  -27   29   14 o   3.9750   1.2150   4.8460   1.9100   3.1040   1.5020 1.742000 2.430000 
1 1 1  -27   29   15 o   3.7240   1.1930   3.3280   1.5690   4.1200   1.7960 -0.7924000 2.385000 
1 1 1  -27   29   16 o   3.2610   1.0720   3.5910   1.6160   2.9310   1.4100 0.6596000 2.145000 
1 1 1  -27   29   17 o   2.8990   0.9869   2.6620   1.3070   3.1350   1.4790 -0.4727000 1.974000 
1 1 1  -27   29   18 o   3.0290   1.0180   3.2270   1.5000   2.8310   1.3760 0.3961000 2.035000 
1 1 1  -27   29   19 o   3.2530   1.0590   3.7550   1.6390   2.7510   1.3410 1.003000 2.118000 
1 1 1  -27   31    1 o   4.9460   1.3190   3.4640   1.6290   6.4280   2.0760 -2.964000 2.639000 
1 1 1  -27   31    2 o   5.2530   1.3880   6.0770   2.0220   4.4290   1.9020 1.648000 2.776000 
1 1 1  -27   31    3 o   4.3760   1.2680   3.0850   1.4920   5.6670   2.0510 -2.582000 2.536000 
1 1 1  -27   31    4 o   3.5460   1.1910   2.8300   1.3870   4.2620   1.9360 -1.432000 2.382000 
1 1 1  -27   31    5 o   6.3060   1.2080   8.6730   1.6470   3.9390   1.7670 4.734000 2.415000 
1 1 1  -27   31    6 o   3.1550   1.0690   3.4820   1.6210   2.8280   1.3950 0.6541000 2.138000 
1 1 1  -27   31    7 o   10.230   1.0390   11.530   1.2350   8.9340   1.6710 2.594000 2.078000 
1 1 1  -27   31    8 o   3.2340   1.0670   3.7380   1.6610   2.7290   1.3400 1.008000 2.134000 
1 1 1  -27   31    9 o   2.4040   0.8539   2.0280   1.0350   2.7810   1.3590 -0.7527000 1.708000 
1 1 1  -27   31   10 o   4.3500   1.2020   3.2180   1.5040   5.4830   1.8760 -2.265000 2.404000 
1 1 1  -27   31   11 o   3.3580   1.0880   2.9290   1.4040   3.7880   1.6630 -0.8588000 2.177000 
1 1 1  -27   31   12 o   3.1680   1.0510   3.0870   1.4600   3.2500   1.5120 -0.1634000 2.102000 
1 1 1  -27   31   13 o   2.2680   0.8064   2.4560   1.2170   2.0810   1.0580 0.3748000 1.613000 
1 1 1  -27   31   14 o   4.5540   1.2620   4.2640   1.7390   4.8450   1.8300 -0.5802000 2.525000 
1 1 1  -27   33    1 o   2.4090   0.8564   2.3380   1.1710   2.4800   1.2500 -0.1426000 1.713000 
1 1 1  -27   33    2 o   2.4170   0.8605   2.2240   1.1220   2.6110   1.3050 -0.3871000 1.721000 
1 1 1  -27   33    3 o   4.3510   1.2500   4.0860   1.7220   4.6160   1.8130 -0.5303000 2.500000 
1 1 1  -27   33    4 o   1.8380   0.6674   1.9200   0.9820   1.7560   0.9040 0.1643000 1.335000 
1 1 1  -27   33    5 o   3.3190   1.0540   2.3440   1.1840   4.2950   1.7450 -1.951000 2.108000 
1 1 1  -27   33    6 o   2.0620   0.7583   2.1920   1.1370   1.9320   1.0040 0.2601000 1.517000 
1 1 1  -26    0    1 o   2.5120   1.4430   2.5120   1.4430   2.5120   1.4430 -0.000000 0.000000 
1 1 1  -26    0    2 o   18.410   0.2793   18.410   0.2793   18.410   0.2793 -0.000000 0.000000 
1 1 1  -26    0    3 o   46.560   0.4934   46.560   0.4934   46.560   0.4934 -0.000000 0.000000 
1 1 1  -26    0    4 o   23.100   0.3107   23.100   0.3107   23.100   0.3107 -0.000000 0.000000 
1 1 1  -26    0    5 o   58.640   0.7494   58.640   0.7494   58.640   0.7494 -0.000000 0.000000 
1 1 1  -26    0    6 o   51.310   0.6641   51.310   0.6641   51.310   0.6641 0.000000 0.000000 
1 1 1  -26    0    7 o   63.780   0.6645   63.780   0.6645   63.780   0.6645 -0.000000 0.000000 
1 1 1  -26    0    8 o  142.700   1.2710  142.700   1.2710  142.700   1.2710 -0.000000 0.000000 
1 1 1  -26    0    9 o   60.840   0.5522   60.840   0.5522   60.840   0.5522 -0.000000 0.000000 
1 1 1  -26    0   10 o   50.670   0.4684   50.670   0.4684   50.670   0.4684 -0.000000 0.000000 
1 1 1  -26    0   11 o   64.590   0.5869   64.590   0.5869   64.590   0.5869 0.000000 0.000000 
1 1 1  -26    0   12 o   33.140   0.4935   33.140   0.4935   33.140   0.4935 -0.000000 0.000000 
1 1 1  -26    0   13 o   28.040   0.3479   28.040   0.3479   28.040   0.3479 -0.000000 0.000000 
1 1 1  -26    0   14 o   77.690   0.7025   77.690   0.7025   77.690   0.7025 -0.000000 0.000000 
1 1 1  -26    0   15 o   37.730   0.4013   37.730   0.4013   37.730   0.4013 0.000000 0.000000 
1 1 1  -26    0   16 o   35.310   0.4005   35.310   0.4005   35.310   0.4005 -0.000000 0.000000 
1 1 1  -26    0   17 o   2.4160   1.5260   2.4160   1.5260   2.4160   1.5260 -0.000000 0.000000 
1 1 1  -26    0   18 o   25.630   0.4286   25.630   0.4286   25.630   0.4286 -0.000000 0.000000 
1 1 1  -26    0   19 f   74.460   0.9690   74.460   0.9690   74.460   0.9690 0.000000 0.000000 
1 1 1  -26    0   20 o   7.8560   1.8860   7.8560   1.8860   7.8560   1.8860 -0.000000 0.000000 
1 1 1  -26    0   21 o   13.430   1.4070   13.430   1.4070   13.430   1.4070 -0.000000 0.000000 
1 1 1  -26    0   22 f   50.410   0.7170   50.410   0.7170   50.410   0.7170 0.000000 0.000000 
1 1 1  -26    0   23 o   10.130   1.2750   10.130   1.2750   10.130   1.2750 0.000000 0.000000 
1 1 1  -26    0   24 o   2.7410   1.6850   2.7410   1.6850   2.7410   1.6850 -0.000000 0.000000 
1 1 1  -26    0   25 o   8.9950   0.9956   8.9950   0.9956   8.9950   0.9956 -0.000000 0.000000 
1 1 1  -26    0   26 o   39.420   0.6423   39.420   0.6423   39.420   0.6423 -0.000000 0.000000 
1 1 1  -26    0   27 o   2.2260   1.4780   2.2260   1.4780   2.2260   1.4780 0.000000 0.000000 
1 1 1  -26    0   28 o   9.2940   0.9818   9.2940   0.9818   9.2940   0.9818 0.000000 0.000000 
1 1 1  -26    0   29 o   4.2010   1.9380   4.2010   1.9380   4.2010   1.9380 0.000000 0.000000 
1 1 1  -26    0   30 o   2.6960   1.6980   2.6960   1.6980   2.6960   1.6980 -0.000000 0.000000 
1 1 1  -26    0   31 o   2.0310   1.4130   2.0310   1.4130   2.0310   1.4130 -0.000000 0.000000 
1 1 1  -26    0   32 o   13.980   0.8306   13.980   0.8306   13.980   0.8306 0.000000 0.000000 
1 1 1  -26    0   33 o   2.4480   1.6580   2.4480   1.6580   2.4480   1.6580 0.000000 0.000000 
1 1 1  -26    0   34 o   3.7990   2.3070   3.7990   2.3070   3.7990   2.3070 0.000000 0.000000 
1 1 1  -26    0   35 o   3.1660   1.9800   3.1660   1.9800   3.1660   1.9800 0.000000 0.000000 
1 1 1  -26    0   36 o   2.7980   1.8410   2.7980   1.8410   2.7980   1.8410 -0.000000 0.000000 
1 1 1  -26    0   37 o   3.2610   2.0050   3.2610   2.0050   3.2610   2.0050 -0.000000 0.000000 
1 1 1  -26    2    1 o   27.000   0.2079   27.260   0.2964   26.730   0.2917 0.5354000 0.4159000 
1 1 1  -26    2    2 o   31.670   0.2558   31.200   0.3643   32.130   0.3591 -0.9317000 0.5115000 
1 1 1  -26    2    3 o   35.470   0.3018   35.400   0.4979   35.540   0.3413 -0.1390000 0.6036000 
1 1 1  -26    2    4 o   29.090   0.2400   29.740   0.3522   28.440   0.3261 1.303000 0.4800000 
1 1 1  -26    2    5 o   79.460   0.5038   79.780   0.7154   79.140   0.7096 0.6452000 1.008000 
1 1 1  -26    2    6 o   69.380   0.4412   69.330   0.6239   69.440   0.6241 -0.1060000 0.8825000 
1 1 1  -26    2    7 o   4.1970   0.7765   4.5010   1.0450   3.8920   1.1480 0.6087000 1.553000 
1 1 1  -26    2    8 o   59.730   0.4438   59.460   0.6246   59.990   0.6305 -0.5341000 0.8875000 
1 1 1  -26    2    9 o   52.710   0.3426   52.640   0.4839   52.790   0.4850 -0.1448000 0.6851000 
1 1 1  -26    2   10 o   21.150   0.2167   21.320   0.3104   20.980   0.3025 0.3353000 0.4334000 
1 1 1  -26    2   11 o   57.980   0.4332   57.790   0.6112   58.180   0.6142 -0.3895000 0.8665000 
1 1 1  -26    2   12 o   68.060   0.4372   67.950   0.6178   68.170   0.6187 -0.2234000 0.8744000 
1 1 1  -26    2   13 o   90.640   0.6657   90.380   0.9398   90.890   0.9431 -0.5134000 1.331000 
1 1 1  -26    2   14 o   52.160   0.4290   52.240   0.7016   52.090   0.4939 0.1538000 0.8580000 
1 1 1  -26    2   15 o   33.580   0.3354   33.650   0.5480   33.510   0.3867 0.1467000 0.6707000 
1 1 1  -26    2   16 o   29.180   0.3468   29.290   0.5677   29.070   0.3985 0.2192000 0.6936000 
1 1 1  -26    2   17 o   20.930   0.3905   21.170   0.6330   20.700   0.4577 0.4644000 0.7811000 
1 1 1  -26    2   18 o   39.630   0.3734   39.360   0.6050   39.900   0.4377 -0.5470000 0.7467000 
1 1 1  -26    2   19 o   14.420   0.4948   14.680   0.7495   14.160   0.6462 0.5171000 0.9896000 
1 1 1  -26    2   20 o   7.9580   0.9431   8.5790   1.2670   7.3370   1.3970 1.242000 1.886000 
1 1 1  -26    2   21 o   18.730   0.4943   18.190   0.7152   19.270   0.6826 -1.080000 0.9887000 
1 1 1  -26    2   22 o   37.370   0.3517   37.810   0.4898   36.940   0.5048 0.8754000 0.7034000 
1 1 1  -26    2   23 o   26.880   0.3300   27.020   0.4283   26.740   0.5020 0.2793000 0.6599000 
1 1 1  -26    2   24 o   22.890   0.4053   22.840   0.4631   22.930   0.6653 -0.8645000E-01 0.8106000 
1 1 1  -26    2   25 o   8.1300   0.9662   7.3330   1.3690   8.9270   1.3640 -1.594000 1.932000 
1 1 1  -26    2   26 o   4.2610   1.3010   3.4170   1.5790   5.1050   2.0670 -1.688000 2.601000 
1 1 1  -26    2   27 o   26.720   0.3835   26.920   0.4523   26.530   0.6196 0.3834000 0.7671000 
1 1 1  -26    2   28 o   6.3820   1.0010   7.3580   1.2140   5.4070   1.5910 1.951000 2.001000 
1 1 1  -26    2   29 o   2.5590   0.8690   2.3780   1.1610   2.7390   1.2930 -0.3614000 1.738000 
1 1 1  -26    2   30 o   9.2710   0.7659   8.6710   1.1360   9.8720   1.0280 -1.202000 1.532000 
1 1 1  -26    2   31 o   21.070   0.3908   21.220   0.5445   20.930   0.5608 0.2817000 0.7817000 
1 1 1  -26    2   32 o   4.8180   1.1830   3.7430   1.6160   5.8920   1.7280 -2.149000 2.366000 
1 1 1  -26    2   33 o   4.7950   1.2050   6.5610   1.9210   3.0290   1.4550 3.532000 2.409000 
1 1 1  -26    2   34 o   3.7940   1.2030   2.4210   1.2180   5.1670   2.0760 -2.746000 2.407000 
1 1 1  -26    2   35 o   11.530   0.7973   11.480   1.1170   11.590   1.1380 -0.1088000 1.595000 
1 1 1  -26    2   36 o   3.9750   1.1230   5.4430   1.8660   2.5080   1.2510 2.934000 2.246000 
1 1 1  -26    2   37 o   2.6310   0.9283   2.5020   1.2480   2.7600   1.3750 -0.2585000 1.857000 
1 1 1  -26    4    1 o   77.290   0.5324   77.580   0.8080   76.990   0.6934 0.5885000 1.065000 
1 1 1  -26    4    2 o   73.000   0.6617   73.600   0.9428   72.390   0.9286 1.211000 1.323000 
1 1 1  -26    4    3 o   51.390   0.4801   51.600   0.6801   51.190   0.6779 0.4044000 0.9602000 
1 1 1  -26    4    4 o   58.990   0.5424   58.790   0.7639   59.190   0.7704 -0.3997000 1.085000 
1 1 1  -26    4    5 o   20.750   0.2769   21.950   0.4792   19.560   0.2778 2.388000 0.5539000 
1 1 1  -26    4    6 o   39.850   0.2919   39.440   0.4387   40.250   0.3854 -0.8138000 0.5839000 
1 1 1  -26    4    7 o   40.150   0.2953   39.970   0.4465   40.330   0.3866 -0.3608000 0.5906000 
1 1 1  -26    4    8 o   19.740   0.3906   20.750   0.6617   18.720   0.4151 2.023000 0.7811000 
1 1 1  -26    4    9 o   37.130   0.4352   38.100   0.7666   36.160   0.4121 1.941000 0.8703000 
1 1 1  -26    4   10 o   41.270   0.4626   40.450   0.7993   42.080   0.4660 -1.620000 0.9252000 
1 1 1  -26    4   11 o   37.400   0.3348   37.340   0.5513   37.470   0.3800 -0.1322000 0.6696000 
1 1 1  -26    4   12 o  124.900   0.9696  125.000   1.5860  124.900   1.1160 0.5379000E-01 1.939000 
1 1 1  -26    4   13 o   46.500   0.4143   45.880   0.6376   47.130   0.5290 -1.256000 0.8285000 
1 1 1  -26    4   14 o   74.510   0.4806   74.190   0.6773   74.830   0.6820 -0.6415000 0.9612000 
1 1 1  -26    4   15 o   25.940   0.2835   25.110   0.4030   26.770   0.3988 -1.663000 0.5670000 
1 1 1  -26    4   16 o   94.050   0.6007   94.020   0.8494   94.080   0.8497 -0.5402000E-01 1.201000 
1 1 1  -26    4   17 o   13.160   0.4756   12.770   0.6867   13.560   0.6582 -0.7896000 0.9512000 
1 1 1  -26    4   18 o   20.010   0.3587   20.230   0.5003   19.790   0.5140 0.4450000 0.7173000 
1 1 1  -26    4   19 o   25.340   0.3189   25.270   0.4518   25.400   0.4502 -0.1338000 0.6378000 
1 1 1  -26    4   20 o   19.800   0.4764   20.760   0.5797   18.830   0.7562 1.930000 0.9529000 
1 1 1  -26    4   21 o   42.240   0.3516   42.290   0.4631   42.190   0.5292 0.1021000 0.7032000 
1 1 1  -26    4   22 o   35.090   0.3438   35.290   0.4791   34.890   0.4934 0.3960000 0.6877000 
1 1 1  -26    4   23 o   26.720   0.3229   27.030   0.4789   26.420   0.4332 0.6074000 0.6457000 
1 1 1  -26    4   24 o   14.680   0.4404   14.300   0.6294   15.060   0.6163 -0.7537000 0.8809000 
1 1 1  -26    4   25 o   27.060   0.3571   27.370   0.4924   26.750   0.5173 0.6197000 0.7142000 
1 1 1  -26    4   26 o   12.770   0.5912   12.640   0.8688   12.900   0.8021 -0.2580000 1.182000 
1 1 1  -26    4   27 o   5.8570   1.1540   7.0420   1.5550   4.6720   1.7050 2.370000 2.308000 
1 1 1  -26    4   28 o   9.8330   0.8100   9.6760   0.9348   9.9900   1.3230 -0.3144000 1.620000 
1 1 1  -26    4   29 o   8.9660   0.9829   9.5420   0.9844   8.3910   1.7010 1.152000 1.966000 
1 1 1  -26    4   30 o   17.640   0.5304   18.090   0.5775   17.180   0.8899 0.9109000 1.061000 
1 1 1  -26    4   31 o   4.1840   1.2010   4.7010   1.7060   3.6670   1.6920 1.034000 2.402000 
1 1 1  -26    4   32 o   5.6390   1.2620   5.1640   1.7660   6.1140   1.8040 -0.9505000 2.524000 
1 1 1  -26    4   33 o   20.150   0.5238   19.330   0.7885   20.970   0.6898 -1.648000 1.048000 
1 1 1  -26    4   34 o   4.8140   1.3530   4.7770   1.8780   4.8520   1.9480 -0.7544000E-01 2.706000 
1 1 1  -26    4   35 f   4.1670   1.2240   4.6260   1.7990   3.7080   1.6600 0.9185000 2.448000 
1 1 1  -26    4   36 o   3.2720   1.0790   2.9780   1.4360   3.5650   1.6100 -0.5864000 2.157000 
1 1 1  -26    4   37 o   3.4460   1.1460   3.0770   1.4930   3.8150   1.7380 -0.7375000 2.291000 
1 1 1  -26    6    1 o   35.920   0.4335   36.440   0.7682   35.400   0.4021 1.035000 0.8671000 
1 1 1  -26    6    2 o   39.760   0.4567   39.060   0.7990   40.460   0.4427 -1.394000 0.9134000 
1 1 1  -26    6    3 o   38.460   0.4448   37.570   0.7763   39.360   0.4343 -1.792000 0.8896000 
1 1 1  -26    6    4 o   24.160   0.7141   24.160   0.7141  ?   ?       ?      ? 
1 1 1  -26    6    5 o   70.990   0.7373   69.020   1.2640   72.960   0.7595 -3.940000 1.475000 
1 1 1  -26    6    6 o   35.170   0.4259   34.750   0.7461   35.590   0.4109 -0.8465000 0.8518000 
1 1 1  -26    6    7 o   50.300   0.4373   51.090   0.6905   49.510   0.5369 1.577000 0.8747000 
1 1 1  -26    6    8 o   16.220   0.2886   16.650   0.4246   15.780   0.3911 0.8632000 0.5773000 
1 1 1  -26    6    9 o   8.8700   0.4700   8.6380   0.6775   9.1010   0.6518 -0.4624000 0.9401000 
1 1 1  -26    6   10 o   53.070   0.3526   53.310   0.5012   52.820   0.4960 0.4906000 0.7051000 
1 1 1  -26    6   11 o   93.460   0.5943   94.170   0.8464   92.750   0.8344 1.415000 1.189000 
1 1 1  -26    6   12 o   53.800   0.3609   53.910   0.5108   53.680   0.5100 0.2309000 0.7218000 
1 1 1  -26    6   13 o   8.5220   0.7879   8.4620   1.1500   8.5810   1.0780 -0.1186000 1.576000 
1 1 1  -26    6   14 o   52.630   0.3603   52.460   0.5073   52.800   0.5116 -0.3455000 0.7205000 
1 1 1  -26    6   15 o   10.130   0.6023   10.400   0.8118   9.8500   0.8899 0.5514000 1.205000 
1 1 1  -26    6   16 o   24.600   0.3135   24.530   0.4392   24.670   0.4475 -0.1410000 0.6271000 
1 1 1  -26    6   17 o   70.830   0.4646   70.570   0.6547   71.100   0.6595 -0.5282000 0.9293000 
1 1 1  -26    6   18 o   62.950   0.4886   63.490   0.6974   62.410   0.6846 1.076000 0.9773000 
1 1 1  -26    6   19 f   23.230   0.3986   23.500   0.5639   22.950   0.5636 0.5516000 0.7972000 
1 1 1  -26    6   20 o   10.420   0.6585   11.280   0.8302   9.5660   1.0220 1.717000 1.317000 
1 1 1  -26    6   21 o   23.420   0.3679   23.440   0.5051   23.400   0.5350 0.4179000E-01 0.7357000 
1 1 1  -26    6   22 o   25.510   0.3516   25.610   0.4865   25.410   0.5078 0.1989000 0.7033000 
1 1 1  -26    6   23 o   13.370   0.4938   13.390   0.6907   13.350   0.7060 0.3466000E-01 0.9877000 
1 1 1  -26    6   24 o   5.2760   1.1530   6.1150   1.5570   4.4370   1.7010 1.678000 2.306000 
1 1 1  -26    6   25 o   2.5140   0.8528   2.3210   1.1320   2.7060   1.2760 -0.3851000 1.706000 
1 1 1  -26    6   26 o   4.3740   1.1230   5.6060   1.7240   3.1410   1.4400 2.465000 2.247000 
1 1 1  -26    6   27 o   21.060   0.3501   21.310   0.4901   20.800   0.5000 0.5029000 0.7001000 
1 1 1  -26    6   28 o   7.2970   0.9248   7.3160   1.2710   7.2780   1.3440 0.3828000E-01 1.850000 
1 1 1  -26    6   29 o   9.0790   0.7854   9.8680   0.9565   8.2910   1.2460 1.578000 1.571000 
1 1 1  -26    6   30 o   19.280   0.4093   19.680   0.5564   18.880   0.6003 0.7958000 0.8185000 
1 1 1  -26    6   31 o   4.9370   1.2320   5.2600   1.7200   4.6130   1.7650 0.6471000 2.464000 
1 1 1  -26    6   32 o   3.7160   1.2130   3.4400   1.5950   3.9910   1.8270 -0.5506000 2.425000 
1 1 1  -26    6   33 o   4.7750   1.3330   5.3470   1.8460   4.2020   1.9230 1.145000 2.665000 
1 1 1  -26    6   34 o   6.2310   1.5890   6.6870   1.9700   5.7750   2.4930 0.9116000 3.178000 
1 1 1  -26    6   35 o   3.5150   1.1770   3.2890   1.5340   3.7400   1.7850 -0.4514000 2.354000 
1 1 1  -26    6   36 f   3.5870   1.1670   3.0800   1.4740   4.0940   1.8090 -1.014000 2.333000 
1 1 1  -26    6   37 o   2.2300   0.8066   2.1250   1.0950   2.3350   1.1850 -0.2101000 1.613000 
1 1 1  -26    8    1 o   72.500   0.5389   72.260   0.7600   72.730   0.7643 -0.4687000 1.078000 
1 1 1  -26    8    2 o  112.400   0.8225  112.100   1.1600  112.800   1.1660 -0.6794000 1.645000 
1 1 1  -26    8    3 o   47.040   0.3705   47.550   0.5276   46.530   0.5204 1.025000 0.7411000 
1 1 1  -26    8    4 f   48.130   0.3788   48.140   0.5350   48.120   0.5365 0.2316000E-01 0.7576000 
1 1 1  -26    8    5 o   12.080   0.4605   11.930   0.6476   12.230   0.6548 -0.3045000 0.9209000 
1 1 1  -26    8    6 o   32.990   0.3533   33.200   0.4339   32.780   0.5577 0.4198000 0.7066000 
1 1 1  -26    8    7 o   25.510   0.2578   26.010   0.3633   25.010   0.3660 0.9997000 0.5157000 
1 1 1  -26    8    8 o   60.910   0.4001   61.000   0.5663   60.820   0.5653 0.1783000 0.8002000 
1 1 1  -26    8    9 o   91.530   0.5830   91.570   0.8249   91.490   0.8242 0.7412000E-01 1.166000 
1 1 1  -26    8   10 o   75.330   0.4857   75.210   0.6857   75.450   0.6882 -0.2468000 0.9715000 
1 1 1  -26    8   11 o   28.150   0.2808   28.120   0.3946   28.180   0.3997 -0.5804000E-01 0.5617000 
1 1 1  -26    8   12 o   56.660   0.4437   56.150   0.6247   57.170   0.6302 -1.019000 0.8874000 
1 1 1  -26    8   13 o   51.780   0.3591   51.550   0.5050   52.010   0.5107 -0.4643000 0.7182000 
1 1 1  -26    8   14 o   9.7470   0.6709   9.6800   0.9230   9.8130   0.9739 -0.1337000 1.342000 
1 1 1  -26    8   15 o   43.140   0.3307   43.420   0.4675   42.870   0.4679 0.5429000 0.6614000 
1 1 1  -26    8   16 o   26.790   0.3314   27.000   0.4621   26.580   0.4753 0.4264000 0.6629000 
1 1 1  -26    8   17 o   59.610   0.4719   60.010   0.6703   59.210   0.6644 0.7943000 0.9438000 
1 1 1  -26    8   18 o   34.590   0.3213   34.640   0.4501   34.530   0.4587 0.1073000 0.6427000 
1 1 1  -26    8   19 f   8.3540   0.8834   7.0920   1.4140   9.6150   1.0590 -2.523000 1.767000 
1 1 1  -26    8   20 o   7.2050   0.9836   8.1190   1.2000   6.2900   1.5590 1.829000 1.967000 
1 1 1  -26    8   21 o   31.400   0.3459   31.680   0.4816   31.120   0.4966 0.5626000 0.6918000 
1 1 1  -26    8   22 o   22.940   0.3387   23.580   0.4673   22.300   0.4905 1.285000 0.6774000 
1 1 1  -26    8   23 o   17.140   0.4576   16.760   0.6280   17.530   0.6656 -0.7760000 0.9151000 
1 1 1  -26    8   24 o   5.6110   1.0450   4.6000   1.5620   6.6210   1.3880 -2.021000 2.090000 
1 1 1  -26    8   25 o   23.690   0.3275   24.100   0.4503   23.270   0.4757 0.8303000 0.6550000 
1 1 1  -26    8   26 o   3.3900   1.0660   3.5600   1.5490   3.2200   1.4650 0.3398000 2.132000 
1 1 1  -26    8   27 o   8.6990   0.7635   8.9610   1.0040   8.4380   1.1510 0.5231000 1.527000 
1 1 1  -26    8   28 o   3.9010   1.1130   3.6000   1.5090   4.2020   1.6370 -0.6021000 2.226000 
1 1 1  -26    8   29 o   28.060   0.3359   28.440   0.4727   27.690   0.4772 0.7452000 0.6717000 
1 1 1  -26    8   30 o   9.3160   0.8286   9.5680   1.0950   9.0630   1.2440 0.5047000 1.657000 
1 1 1  -26    8   31 o   14.400   0.6783   13.790   1.0080   15.000   0.9074 -1.212000 1.357000 
1 1 1  -26    8   32 o   5.2850   1.2940   6.6980   1.9220   3.8710   1.7340 2.826000 2.589000 
1 1 1  -26    8   33 o   12.470   0.7314   12.640   0.9907   12.300   1.0760 0.3439000 1.463000 
1 1 1  -26    8   34 o   14.250   0.7371   13.970   1.0450   14.520   1.0400 -0.5597000 1.474000 
1 1 1  -26    8   35 o   4.7270   1.3170   5.4970   1.8790   3.9580   1.8460 1.539000 2.634000 
1 1 1  -26    8   36 o   2.6800   0.9506   2.8290   1.3960   2.5300   1.2910 0.2991000 1.901000 
1 1 1  -26   10    1 o   64.690   0.4220   64.640   0.5964   64.750   0.5971 -0.1168000 0.8439000 
1 1 1  -26   10    2 o   84.980   0.5430   85.050   0.7686   84.920   0.7672 0.1290000 1.086000 
1 1 1  -26   10    3 o   73.360   0.4727   73.280   0.6676   73.440   0.6694 -0.1561000 0.9454000 
1 1 1  -26   10    4 o   87.160   0.5563   87.340   0.7879   86.980   0.7857 0.3556000 1.113000 
1 1 1  -26   10    5 o   74.680   0.4812   74.570   0.6791   74.790   0.6820 -0.2193000 0.9625000 
1 1 1  -26   10    6 o   40.170   0.3008   40.560   0.4245   39.780   0.4262 0.7769000 0.6016000 
1 1 1  -26   10    7 o   31.490   0.2854   31.640   0.3970   31.350   0.4101 0.2879000 0.5708000 
1 1 1  -26   10    8 o   80.490   0.5185   80.870   0.7361   80.110   0.7305 0.7530000 1.037000 
1 1 1  -26   10    9 o   31.920   0.3955   32.870   0.6211   30.960   0.4899 1.904000 0.7910000 
1 1 1  -26   10   10 o   45.570   0.3911   45.470   0.5561   45.670   0.5500 -0.1959000 0.7822000 
1 1 1  -26   10   11 o   64.220   0.4966   64.270   0.7048   64.170   0.6996 0.9551000E-01 0.9931000 
1 1 1  -26   10   12 o   9.9110   0.6977   9.7280   0.9702   10.090   1.0030 -0.3662000 1.395000 
1 1 1  -26   10   13 o   34.500   0.3179   34.380   0.4428   34.630   0.4564 -0.2475000 0.6359000 
1 1 1  -26   10   14 f   35.200   0.3253   35.240   0.4542   35.160   0.4659 0.7152000E-01 0.6506000 
1 1 1  -26   10   15 o   38.310   0.3814   38.330   0.5326   38.280   0.5462 0.5887000E-01 0.7629000 
1 1 1  -26   10   16 o   53.780   0.4410   54.110   0.6246   53.440   0.6229 0.6757000 0.8821000 
1 1 1  -26   10   17 o   15.650   0.4808   15.100   0.6849   16.190   0.6751 -1.093000 0.9617000 
1 1 1  -26   10   18 o   37.840   0.3246   38.010   0.4571   37.680   0.4611 0.3223000 0.6493000 
1 1 1  -26   10   19 o   7.2330   0.9885   6.6510   1.4780   7.8140   1.3130 -1.163000 1.977000 
1 1 1  -26   10   20 o   16.270   0.4810   15.990   0.6644   16.550   0.6956 -0.5646000 0.9619000 
1 1 1  -26   10   21 o   10.890   0.8329   10.760   1.1040   11.020   1.2470 -0.2618000 1.666000 
1 1 1  -26   10   22 o   34.280   0.3608   34.400   0.5036   34.170   0.5169 0.2210000 0.7217000 
1 1 1  -26   10   23 o   3.5690   1.0670   3.4410   1.4750   3.6980   1.5430 -0.2570000 2.135000 
1 1 1  -26   10   24 o   15.490   0.4519   15.440   0.6216   15.550   0.6561 -0.1144000 0.9038000 
1 1 1  -26   10   25 o   18.540   0.4616   19.180   0.6392   17.900   0.6661 1.282000 0.9231000 
1 1 1  -26   10   26 o   14.420   0.5848   14.300   0.8512   14.530   0.8020 -0.2258000 1.170000 
1 1 1  -26   10   27 o   14.460   0.4939   14.660   0.6460   14.260   0.7472 0.4029000 0.9878000 
1 1 1  -26   10   28 o   12.090   0.6025   11.700   0.8643   12.480   0.8396 -0.7758000 1.205000 
1 1 1  -26   10   29 o   5.4120   1.1900   5.4400   1.6590   5.3850   1.7070 0.5453000E-01 2.381000 
1 1 1  -26   10   30 o   5.5810   1.2900   4.3350   1.7920   6.8270   1.8560 -2.492000 2.580000 
1 1 1  -26   10   31 o   5.8190   1.2720   4.0070   1.7540   7.6310   1.8420 -3.623000 2.543000 
1 1 1  -26   10   32 o   7.1860   1.2130   7.1620   1.7000   7.2100   1.7310 -0.4813000E-01 2.426000 
1 1 1  -26   10   33 o   4.7890   1.3330   5.7460   1.9680   3.8310   1.8000 1.915000 2.667000 
1 1 1  -26   10   34 o   4.9250   1.4120   4.9350   1.9290   4.9150   2.0620 0.1963000E-01 2.823000 
1 1 1  -26   10   35 o   2.8970   1.0260   2.9590   1.4510   2.8350   1.4510 0.1233000 2.052000 
1 1 1  -26   10   36 o   2.4140   1.2310   2.4140   1.2310  ?   ?       ?      ? 
1 1 1  -26   12    1 o   56.320   0.3820   56.820   0.5437   55.830   0.5368 0.9967000 0.7640000 
1 1 1  -26   12    2 o   35.090   0.3244   34.820   0.4174   35.350   0.4967 -0.5332000 0.6488000 
1 1 1  -26   12    3 o   64.450   0.4262   64.280   0.6005   64.620   0.6051 -0.3402000 0.8525000 
1 1 1  -26   12    4 o   66.440   0.4736   66.440   0.6174   66.440   0.7183 -0.1518000E-02 0.9472000 
1 1 1  -26   12    5 o   79.950   0.5166   79.950   0.7300   79.940   0.7313 0.7324000E-02 1.033000 
1 1 1  -26   12    6 o   58.900   0.3974   59.340   0.5636   58.460   0.5604 0.8827000 0.7948000 
1 1 1  -26   12    7 o   33.940   0.3588   34.490   0.5005   33.390   0.5144 1.106000 0.7177000 
1 1 1  -26   12    8 o   34.420   0.4067   35.490   0.6185   33.360   0.5283 2.130000 0.8134000 
1 1 1  -26   12    9 o   20.370   0.5197   19.580   0.8098   21.170   0.6517 -1.593000 1.039000 
1 1 1  -26   12   10 o   51.970   0.3711   52.230   0.5250   51.710   0.5246 0.5198000 0.7422000 
1 1 1  -26   12   11 o   48.890   0.3907   49.270   0.5889   48.510   0.5138 0.7613000 0.7815000 
1 1 1  -26   12   12 o   27.600   0.4057   27.580   0.5711   27.620   0.5765 -0.3068000E-01 0.8115000 
1 1 1  -26   12   13 o   22.480   0.4648   23.090   0.6348   21.860   0.6791 1.230000 0.9296000 
1 1 1  -26   12   14 o   41.430   0.3439   41.090   0.4806   41.780   0.4920 -0.6981000 0.6878000 
1 1 1  -26   12   15 o   42.210   0.3427   42.320   0.4797   42.100   0.4896 0.2199000 0.6854000 
1 1 1  -26   12   16 o   20.590   0.4069   20.620   0.5610   20.560   0.5897 0.6276000E-01 0.8139000 
1 1 1  -26   12   17 o   31.220   0.3300   31.490   0.4594   30.950   0.4738 0.5418000 0.6599000 
1 1 1  -26   12   18 o   21.980   0.3722   22.340   0.5140   21.610   0.5386 0.7291000 0.7445000 
1 1 1  -26   12   19 o   10.470   0.7934   9.3100   1.0820   11.630   1.1610 -2.320000 1.587000 
1 1 1  -26   12   20 o   7.7590   1.1960   8.1510   1.5600   7.3670   1.8130 0.7847000 2.392000 
1 1 1  -26   12   21 o   34.530   0.3200   34.870   0.4540   34.200   0.4510 0.6652000 0.6399000 
1 1 1  -26   12   22 o   4.9190   1.1170   5.7860   1.5510   4.0520   1.6090 1.733000 2.235000 
1 1 1  -26   12   23 o   22.530   0.3541   22.530   0.4904   22.530   0.5109 0.2802000E-02 0.7082000 
1 1 1  -26   12   24 o   16.650   0.4372   16.640   0.6051   16.670   0.6312 -0.3082000E-01 0.8744000 
1 1 1  -26   12   25 o   9.2990   0.9029   9.9640   1.2090   8.6330   1.3410 1.331000 1.806000 
1 1 1  -26   12   26 o   11.560   0.6236   12.050   0.8322   11.070   0.9289 0.9777000 1.247000 
1 1 1  -26   12   27 o   11.480   0.6368   11.990   0.8347   10.980   0.9619 1.009000 1.274000 
1 1 1  -26   12   28 o   6.2030   1.1750   6.3570   1.6070   6.0490   1.7150 0.3075000 2.350000 
1 1 1  -26   12   29 o   15.710   0.6361   15.400   0.9037   16.020   0.8955 -0.6218000 1.272000 
1 1 1  -26   12   30 o   8.5380   1.4080   10.660   1.3750   6.4150   2.4570 4.246000 2.816000 
1 1 1  -26   12   31 o   6.1200   1.1960   8.1460   1.4710   4.0940   1.8870 4.052000 2.393000 
1 1 1  -26   12   32 o   6.5870   1.4530   6.5720   1.7860   6.6020   2.2920 -0.2982000E-01 2.906000 
1 1 1  -26   12   33 o   5.2300   1.3410   3.8740   1.7330   6.5850   2.0450 -2.711000 2.681000 
1 1 1  -26   12   34 o   3.0510   1.0500   3.0380   1.4770   3.0650   1.4920 -0.2727000E-01 2.099000 
1 1 1  -26   12   35 o   2.4050   0.8521   2.7690   1.3490   2.0420   1.0410 0.7271000 1.704000 
1 1 1  -26   14    1 o   66.770   0.5115   66.630   0.7213   66.910   0.7255 -0.2825000 1.023000 
1 1 1  -26   14    2 o   34.810   0.3636   34.650   0.5080   34.980   0.5203 -0.3280000 0.7271000 
1 1 1  -26   14    3 o   72.740   0.5508   72.580   0.7769   72.910   0.7810 -0.3249000 1.102000 
1 1 1  -26   14    4 o   65.760   0.5656   64.590   0.8675   66.920   0.7260 -2.336000 1.131000 
1 1 1  -26   14    5 o   38.900   0.3749   38.470   0.5186   39.320   0.5416 -0.8483000 0.7498000 
1 1 1  -26   14    6 o   13.980   0.6453   13.450   0.8968   14.500   0.9280 -1.053000 1.291000 
1 1 1  -26   14    7 o   47.020   0.4053   47.230   0.5679   46.820   0.5785 0.4095000 0.8106000 
1 1 1  -26   14    8 o   18.910   0.5863   18.340   0.7022   19.490   0.9391 -1.156000 1.173000 
1 1 1  -26   14    9 o   43.250   0.4461   42.570   0.5473   43.940   0.7046 -1.367000 0.8922000 
1 1 1  -26   14   10 o   40.810   0.3420   40.790   0.4707   40.840   0.4963 -0.5238000E-01 0.6841000 
1 1 1  -26   14   11 o   18.720   0.4669   19.060   0.6345   18.380   0.6850 0.6796000 0.9337000 
1 1 1  -26   14   12 o   41.980   0.3497   41.970   0.4904   41.980   0.4986 -0.7725000E-02 0.6993000 
1 1 1  -26   14   13 o   28.150   0.3923   27.810   0.4960   28.490   0.6080 -0.6891000 0.7846000 
1 1 1  -26   14   14 o   26.230   0.3709   26.280   0.5234   26.170   0.5257 0.1081000 0.7418000 
1 1 1  -26   14   15 o   33.320   0.3394   33.400   0.4770   33.240   0.4829 0.1638000 0.6788000 
1 1 1  -26   14   16 o   21.440   0.3965   21.440   0.5524   21.450   0.5690 -0.9920000E-02 0.7931000 
1 1 1  -26   14   17 o   33.690   0.3762   34.260   0.5264   33.120   0.5377 1.142000 0.7525000 
1 1 1  -26   14   18 o   11.270   0.8591   12.680   1.0030   9.8570   1.3950 2.824000 1.718000 
1 1 1  -26   14   19 o   28.650   0.3667   28.290   0.5089   29.020   0.5280 -0.7252000 0.7333000 
1 1 1  -26   14   20 o   26.360   0.3358   26.670   0.4671   26.040   0.4825 0.6290000 0.6715000 
1 1 1  -26   14   21 o   14.710   0.4883   14.760   0.6649   14.670   0.7154 0.9003000E-01 0.9767000 
1 1 1  -26   14   22 o   15.110   0.4780   16.260   0.6120   13.960   0.7346 2.304000 0.9561000 
1 1 1  -26   14   23 o   10.850   0.6522   10.610   0.9188   11.090   0.9260 -0.4820000 1.304000 
1 1 1  -26   14   24 f   15.430   0.5657   15.020   0.8230   15.850   0.7765 -0.8352000 1.131000 
1 1 1  -26   14   25 o   6.3430   1.1460   4.6200   1.6810   8.0660   1.5590 -3.446000 2.293000 
1 1 1  -26   14   26 o   3.3230   1.0940   2.7900   1.3190   3.8550   1.7470 -1.064000 2.189000 
1 1 1  -26   14   27 o   13.440   0.7152   13.800   0.8035   13.090   1.1830 0.7079000 1.430000 
1 1 1  -26   14   28 f   5.6650   1.5050   5.7890   1.9110   5.5410   2.3270 0.2474000 3.011000 
1 1 1  -26   14   29 o   9.0300   1.1190   9.9640   1.2000   8.0960   1.8890 1.868000 2.238000 
1 1 1  -26   14   30 o   11.150   0.8267   11.290   1.1320   11.010   1.2050 0.2801000 1.653000 
1 1 1  -26   14   31 o   4.8020   1.2320   3.3820   1.5530   6.2230   1.9140 -2.841000 2.465000 
1 1 1  -26   14   32 o   7.9300   1.3090   7.8380   1.7990   8.0220   1.9020 -0.1841000 2.618000 
1 1 1  -26   14   33 o   3.0040   1.0500   3.1890   1.5690   2.8190   1.3950 0.3702000 2.100000 
1 1 1  -26   14   34 o   2.4680   0.8694   2.6520   1.3030   2.2850   1.1510 0.3673000 1.739000 
1 1 1  -26   16    1 o   8.3730   1.0060   7.0340   1.6060   9.7120   1.2120 -2.678000 2.012000 
1 1 1  -26   16    2 o   24.610   0.3761   24.150   0.5298   25.060   0.5341 -0.9082000 0.7522000 
1 1 1  -26   16    3 o   54.680   0.3885   54.430   0.5456   54.920   0.5533 -0.4907000 0.7770000 
1 1 1  -26   16    4 o   50.280   0.3698   50.820   0.5231   49.740   0.5228 1.078000 0.7396000 
1 1 1  -26   16    5 o   22.790   0.4022   22.850   0.5436   22.740   0.5930 0.1170000 0.8045000 
1 1 1  -26   16    6 o   11.970   0.7111   12.060   0.9460   11.890   1.0620 0.1705000 1.422000 
1 1 1  -26   16    7 o   41.370   0.3486   41.160   0.4822   41.590   0.5036 -0.4311000 0.6973000 
1 1 1  -26   16    8 o   28.600   0.3640   28.530   0.4964   28.670   0.5325 -0.1419000 0.7280000 
1 1 1  -26   16    9 o   61.280   0.4238   60.840   0.5921   61.730   0.6066 -0.8908000 0.8476000 
1 1 1  -26   16   10 o   21.780   0.4202   22.530   0.5508   21.020   0.6347 1.510000 0.8403000 
1 1 1  -26   16   11 o   34.240   0.3414   34.610   0.4662   33.880   0.4989 0.7314000 0.6828000 
1 1 1  -26   16   12 o   18.460   0.4719   18.430   0.6495   18.480   0.6849 -0.5656000E-01 0.9439000 
1 1 1  -26   16   13 o   29.770   0.3716   30.240   0.5423   29.300   0.5082 0.9426000 0.7432000 
1 1 1  -26   16   14 o   30.140   0.4016   29.990   0.5495   30.290   0.5857 -0.2950000 0.8031000 
1 1 1  -26   16   15 o   21.800   0.4606   21.480   0.6504   22.130   0.6522 -0.6565000 0.9211000 
1 1 1  -26   16   16 o   13.520   0.6367   14.860   0.7535   12.190   1.0260 2.670000 1.273000 
1 1 1  -26   16   17 o   14.710   0.5787   14.130   0.8232   15.280   0.8135 -1.151000 1.157000 
1 1 1  -26   16   18 f   15.440   0.4974   15.630   0.6574   15.260   0.7467 0.3687000 0.9948000 
1 1 1  -26   16   19 o   31.200   0.3284   31.000   0.4507   31.400   0.4779 -0.4015000 0.6569000 
1 1 1  -26   16   20 o   13.500   0.5501   14.040   0.7145   12.960   0.8365 1.081000 1.100000 
1 1 1  -26   16   21 o   24.650   0.4173   24.400   0.4855   24.900   0.6788 -0.5039000 0.8346000 
1 1 1  -26   16   22 o   13.490   0.6360   12.460   0.8145   14.530   0.9772 -2.075000 1.272000 
1 1 1  -26   16   23 o   21.830   0.4942   21.710   0.6517   21.950   0.7432 -0.2373000 0.9884000 
1 1 1  -26   16   24 o   24.950   0.4377   24.740   0.5194   25.170   0.7048 -0.4256000 0.8755000 
1 1 1  -26   16   25 o   4.0580   1.1750   3.4060   1.5270   4.7110   1.7870 -1.304000 2.350000 
1 1 1  -26   16   26 o   5.1750   1.3110   3.7370   1.6840   6.6140   2.0100 -2.877000 2.622000 
1 1 1  -26   16   27 o   4.8530   1.3510   4.0470   1.7790   5.6590   2.0330 -1.612000 2.702000 
1 1 1  -26   16   28 o   9.6500   0.9375   9.0340   1.3600   10.270   1.2910 -1.234000 1.875000 
1 1 1  -26   16   29 o   10.980   0.8296   10.640   1.1860   11.320   1.1600 -0.6743000 1.659000 
1 1 1  -26   16   30 o   4.5720   1.2870   4.2740   1.7630   4.8690   1.8750 -0.5949000 2.574000 
1 1 1  -26   16   31 o   5.4520   1.4800   4.7510   1.9060   6.1530   2.2640 -1.401000 2.960000 
1 1 1  -26   16   32 f   2.6450   0.9446   2.7600   1.3860   2.5290   1.2840 0.2311000 1.889000 
1 1 1  -26   16   33 o   2.2030   0.7870   2.2700   1.1420   2.1360   1.0830 0.1336000 1.574000 
1 1 1  -26   18    1 o   19.880   0.4375   19.950   0.6121   19.810   0.6253 0.1450000 0.8750000 
1 1 1  -26   18    2 o   26.500   0.3626   25.930   0.5111   27.070   0.5146 -1.136000 0.7252000 
1 1 1  -26   18    3 o   21.250   0.4118   21.450   0.5707   21.040   0.5937 0.4101000 0.8236000 
1 1 1  -26   18    4 o   8.8460   0.9208   8.2950   1.3660   9.3960   1.2350 -1.101000 1.842000 
1 1 1  -26   18    5 o   14.030   0.5980   12.660   0.8808   15.400   0.8090 -2.737000 1.196000 
1 1 1  -26   18    6 o   24.420   0.3876   25.250   0.5098   23.600   0.5840 1.649000 0.7752000 
1 1 1  -26   18    7 o   4.9210   1.1850   3.3090   1.5080   6.5320   1.8270 -3.223000 2.369000 
1 1 1  -26   18    8 o   24.460   0.3843   24.850   0.5090   24.070   0.5758 0.7771000 0.7685000 
1 1 1  -26   18    9 o   17.610   0.5636   17.860   0.7136   17.360   0.8726 0.4999000 1.127000 
1 1 1  -26   18   10 o   16.730   0.5696   16.290   0.7571   17.180   0.8511 -0.8905000 1.139000 
1 1 1  -26   18   11 o   20.020   0.4925   20.250   0.6278   19.780   0.7590 0.4758000 0.9850000 
1 1 1  -26   18   12 o   30.280   0.3902   30.720   0.5166   29.840   0.5849 0.8826000 0.7804000 
1 1 1  -26   18   13 o   35.510   0.3321   35.400   0.4517   35.620   0.4870 -0.2226000 0.6642000 
1 1 1  -26   18   14 o   7.2350   1.1700   7.1630   1.6420   7.3070   1.6670 -0.1440000 2.340000 
1 1 1  -26   18   15 f   12.750   0.7355   13.010   0.8886   12.480   1.1720 0.5282000 1.471000 
1 1 1  -26   18   16 o   8.0850   1.0990   6.9770   1.5070   9.1940   1.6000 -2.217000 2.198000 
1 1 1  -26   18   17 o   11.660   0.7940   12.790   0.8111   10.530   1.3650 2.256000 1.588000 
1 1 1  -26   18   18 o   16.980   0.5475   17.060   0.6395   16.900   0.8888 0.1628000 1.095000 
1 1 1  -26   18   19 o   9.1810   1.0050   9.4610   1.1040   8.9010   1.6790 0.5593000 2.010000 
1 1 1  -26   18   20 o   13.700   0.6055   13.410   0.7912   13.990   0.9169 -0.5724000 1.211000 
1 1 1  -26   18   21 f   7.7820   1.1900   8.4400   1.5600   7.1230   1.7970 1.316000 2.380000 
1 1 1  -26   18   22 o   5.6170   1.0250   2.7870   1.3610   8.4480   1.5320 -5.662000 2.049000 
1 1 1  -26   18   23 o   16.090   0.5219   15.890   0.7179   16.300   0.7578 -0.4063000 1.044000 
1 1 1  -26   18   24 o   14.200   0.8355   12.550   1.3850   15.850   0.9347 -3.296000 1.671000 
1 1 1  -26   18   25 o   7.3920   1.3280   8.5660   1.6810   6.2190   2.0570 2.347000 2.656000 
1 1 1  -26   18   26 o   8.7900   1.0410   9.4550   1.2620   8.1250   1.6570 1.330000 2.083000 
1 1 1  -26   18   27 o   4.5650   1.2830   4.2690   1.7300   4.8610   1.8950 -0.5923000 2.566000 
1 1 1  -26   18   28 o   8.7180   1.0750   9.6170   1.3150   7.8200   1.7020 1.797000 2.151000 
1 1 1  -26   18   29 o   2.8680   0.9814   3.1480   1.4840   2.5880   1.2850 0.5597000 1.963000 
1 1 1  -26   18   30 o   5.0310   1.4490   4.3740   1.8580   5.6880   2.2230 -1.314000 2.898000 
1 1 1  -26   18   31 o   5.3270   1.3820   6.1060   2.0080   4.5480   1.9000 1.557000 2.765000 
1 1 1  -26   18   32 o   2.6480   0.9286   2.6010   1.2830   2.6950   1.3430 -0.9368000E-01 1.857000 
1 1 1  -26   20    1 o   15.030   0.5349   14.910   0.7538   15.150   0.7592 -0.2403000 1.070000 
1 1 1  -26   20    2 o   6.6440   1.1560   6.1620   1.6910   7.1250   1.5770 -0.9629000 2.313000 
1 1 1  -26   20    3 f   15.590   0.5111   14.870   0.7415   16.310   0.7035 -1.440000 1.022000 
1 1 1  -26   20    4 o   20.350   0.4038   20.370   0.5654   20.340   0.5768 0.3164000E-01 0.8077000 
1 1 1  -26   20    5 o   24.230   0.3783   24.790   0.5009   23.670   0.5671 1.120000 0.7567000 
1 1 1  -26   20    6 o   4.7610   1.2340   4.9200   1.7110   4.6020   1.7790 0.3181000 2.468000 
1 1 1  -26   20    7 o   26.250   0.3626   26.140   0.4923   26.370   0.5326 -0.2323000 0.7253000 
1 1 1  -26   20    8 o   7.0830   1.1270   6.9560   1.5370   7.2100   1.6500 -0.2544000 2.255000 
1 1 1  -26   20    9 o   19.270   0.5654   19.970   0.6748   18.570   0.9073 1.404000 1.131000 
1 1 1  -26   20   10 o   19.980   0.5250   19.700   0.6626   20.250   0.8145 -0.5464000 1.050000 
1 1 1  -26   20   11 o   38.030   0.4296   38.180   0.5398   37.870   0.6684 0.3171000 0.8591000 
1 1 1  -26   20   12 o   29.120   0.4286   28.820   0.5390   29.430   0.6665 -0.6143000 0.8572000 
1 1 1  -26   20   13 o   7.1930   1.1280   9.2400   1.0720   5.1470   1.9850 4.094000 2.255000 
1 1 1  -26   20   14 o   10.960   0.7381   10.650   0.9195   11.280   1.1550 -0.6270000 1.476000 
1 1 1  -26   20   15 o   31.220   0.3614   31.380   0.5278   31.060   0.4940 0.3186000 0.7229000 
1 1 1  -26   20   16 o   24.150   0.3829   23.880   0.5300   24.420   0.5527 -0.5427000 0.7658000 
1 1 1  -26   20   17 o   21.000   0.4161   20.650   0.5773   21.360   0.5993 -0.7096000 0.8321000 
1 1 1  -26   20   18 o   4.8240   1.1390   3.1940   1.4590   6.4540   1.7490 -3.260000 2.278000 
1 1 1  -26   20   19 o   12.300   0.7753   13.090   1.0160   11.510   1.1720 1.574000 1.551000 
1 1 1  -26   20   20 o   11.890   0.8191   13.090   1.0050   10.690   1.2940 2.397000 1.638000 
1 1 1  -26   20   21 o   9.6280   0.8724   9.4500   1.1640   9.8060   1.3000 -0.3563000 1.745000 
1 1 1  -26   20   22 o   7.5910   1.3860   6.9900   2.0200   8.1910   1.8980 -1.201000 2.771000 
1 1 1  -26   20   23 o   13.680   0.8146   12.570   1.1930   14.780   1.1100 -2.205000 1.629000 
1 1 1  -26   20   24 o   11.770   0.7832   12.560   0.9720   10.980   1.2280 1.575000 1.566000 
1 1 1  -26   20   25 o   4.8780   1.2540   3.4480   1.5740   6.3070   1.9530 -2.860000 2.508000 
1 1 1  -26   20   26 o   9.2560   1.0500   10.890   1.1940   7.6200   1.7270 3.273000 2.100000 
1 1 1  -26   20   27 o   6.2450   1.3200   6.5990   1.8490   5.8900   1.8840 0.7088000 2.640000 
1 1 1  -26   20   28 o   3.5240   1.1650   3.3860   1.5930   3.6630   1.7000 -0.2765000 2.329000 
1 1 1  -26   20   29 o   2.8020   0.9764   3.0770   1.4830   2.5280   1.2710 0.5488000 1.953000 
1 1 1  -26   20   30 o   3.6970   1.1770   3.6570   1.6560   3.7380   1.6740 -0.8044000E-01 2.355000 
1 1 1  -26   22    1 f   7.8660   1.2490   6.5820   1.8020   9.1500   1.7310 -2.568000 2.499000 
1 1 1  -26   22    2 o   23.450   0.4918   23.680   0.6048   23.220   0.7756 0.4655000 0.9835000 
1 1 1  -26   22    3 o   18.270   0.5762   17.590   0.7298   18.950   0.8918 -1.359000 1.152000 
1 1 1  -26   22    4 o   11.360   0.9318   12.250   1.0300   10.460   1.5530 1.792000 1.864000 
1 1 1  -26   22    5 o   37.730   0.4405   37.410   0.5491   38.050   0.6890 -0.6413000 0.8810000 
1 1 1  -26   22    6 o   12.100   0.8413   12.040   1.0500   12.160   1.3150 -0.1243000 1.683000 
1 1 1  -26   22    7 o   10.180   1.0210   9.8550   1.2850   10.500   1.5880 -0.6430000 2.042000 
1 1 1  -26   22    8 o   9.2400   0.9750   11.470   0.9236   7.0070   1.7170 4.466000 1.950000 
1 1 1  -26   22    9 o   18.920   0.4510   18.410   0.6106   19.430   0.6639 -1.026000 0.9020000 
1 1 1  -26   22   10 o   19.470   0.4379   19.460   0.5875   19.470   0.6496 -0.6989000E-02 0.8759000 
1 1 1  -26   22   11 o   25.560   0.3686   25.550   0.4979   25.570   0.5436 -0.1876000E-01 0.7372000 
1 1 1  -26   22   12 o   30.980   0.3477   30.820   0.4697   31.130   0.5129 -0.3092000 0.6955000 
1 1 1  -26   22   13 o   16.610   0.4918   16.540   0.6532   16.670   0.7354 -0.1357000 0.9836000 
1 1 1  -26   22   14 o   11.060   0.7307   11.970   0.8769   10.140   1.1690 1.823000 1.461000 
1 1 1  -26   22   15 o   14.110   0.5776   14.500   0.7327   13.720   0.8932 0.7879000 1.155000 
1 1 1  -26   22   16 o   12.250   0.6724   12.490   0.8633   12.000   1.0310 0.4912000 1.345000 
1 1 1  -26   22   17 o   4.7030   1.2560   3.2490   1.5320   6.1580   1.9900 -2.909000 2.512000 
1 1 1  -26   22   18 o   22.820   0.4955   22.400   0.7089   23.230   0.6925 -0.8241000 0.9910000 
1 1 1  -26   22   19 o   8.1510   1.3100   9.3650   1.6630   6.9380   2.0240 2.427000 2.619000 
1 1 1  -26   22   20 o   6.9170   1.4110   7.9420   1.9360   5.8920   2.0530 2.050000 2.822000 
1 1 1  -26   22   21 f   11.350   0.8050   11.100   1.1100   11.600   1.1660 -0.4938000 1.610000 
1 1 1  -26   22   22 o   14.180   0.7628   12.650   1.2300   15.710   0.9029 -3.057000 1.526000 
1 1 1  -26   22   23 o   3.9270   1.2180   3.6050   1.6290   4.2490   1.8120 -0.6440000 2.436000 
1 1 1  -26   22   24 o   3.5280   1.1340   2.9910   1.4400   4.0660   1.7530 -1.076000 2.268000 
1 1 1  -26   22   25 o   4.3250   1.2460   5.0290   1.8730   3.6210   1.6430 1.408000 2.491000 
1 1 1  -26   22   26 o   2.8780   1.0020   2.8260   1.3930   2.9310   1.4410 -0.1047000 2.004000 
1 1 1  -26   22   27 o   3.2970   1.0850   2.7050   1.3240   3.8890   1.7190 -1.184000 2.170000 
1 1 1  -26   22   28 o   2.6160   0.9212   2.7140   1.3440   2.5190   1.2600 0.1942000 1.842000 
1 1 1  -26   24    1 o   6.5270   1.1530   7.4480   1.4650   5.6070   1.7800 1.842000 2.305000 
1 1 1  -26   24    2 o   16.810   0.5094   16.310   0.7632   17.320   0.6750 -1.009000 1.019000 
1 1 1  -26   24    3 o   4.7260   1.2180   4.4780   1.7000   4.9750   1.7450 -0.4972000 2.436000 
1 1 1  -26   24    4 o   22.030   0.3891   22.010   0.5468   22.040   0.5537 -0.2423000E-01 0.7782000 
1 1 1  -26   24    5 o   16.920   0.4893   17.180   0.6524   16.650   0.7294 0.5287000 0.9787000 
1 1 1  -26   24    6 o   24.390   0.3816   24.290   0.5140   24.490   0.5642 -0.1973000 0.7632000 
1 1 1  -26   24    7 o   20.270   0.4316   19.780   0.5822   20.770   0.6372 -0.9902000 0.8631000 
1 1 1  -26   24    8 o   19.590   0.4499   18.680   0.6218   20.500   0.6504 -1.821000 0.8998000 
1 1 1  -26   24    9 o   7.2820   1.1420   7.3700   1.4980   7.1930   1.7240 0.1766000 2.284000 
1 1 1  -26   24   10 o   5.7910   1.1930   4.2600   1.6860   7.3230   1.6890 -3.062000 2.387000 
1 1 1  -26   24   11 o   3.6350   1.1310   3.4970   1.5450   3.7740   1.6520 -0.2771000 2.262000 
1 1 1  -26   24   12 o   14.540   0.5899   14.440   0.8063   14.640   0.8614 -0.2035000 1.180000 
1 1 1  -26   24   13 o   7.1240   1.2530   5.4750   1.8980   8.7740   1.6360 -3.299000 2.506000 
1 1 1  -26   24   14 o   4.6430   1.3260   4.4670   1.8010   4.8190   1.9460 -0.3523000 2.651000 
1 1 1  -26   24   15 f   9.8680   1.3280   9.5310   1.8690   10.210   1.8890 -0.6738000 2.657000 
1 1 1  -26   24   16 o   4.8540   1.3900   4.6070   1.8900   5.1010   2.0390 -0.4943000 2.780000 
1 1 1  -26   24   17 o   14.140   0.7771   13.730   1.1020   14.550   1.0960 -0.8199000 1.554000 
1 1 1  -26   24   18 o   4.6720   1.2520   3.6280   1.6150   5.7150   1.9150 -2.087000 2.505000 
1 1 1  -26   24   19 o   5.4620   1.3580   5.3110   1.8730   5.6130   1.9670 -0.3021000 2.716000 
1 1 1  -26   24   20 o   12.700   0.7667   11.580   1.1320   13.820   1.0350 -2.237000 1.533000 
1 1 1  -26   24   21 o   3.5290   1.1440   3.6200   1.6370   3.4380   1.5990 0.1827000 2.288000 
1 1 1  -26   24   22 o   5.1160   1.2380   6.6860   1.8550   3.5450   1.6390 3.141000 2.475000 
1 1 1  -26   24   23 o   4.2530   1.2910   3.5120   1.6360   4.9930   1.9970 -1.481000 2.581000 
1 1 1  -26   24   24 o   4.3490   1.2830   5.2160   1.9730   3.4820   1.6410 1.734000 2.566000 
1 1 1  -26   24   25 o   4.0290   1.2160   4.3690   1.7830   3.6890   1.6540 0.6800000 2.432000 
1 1 1  -26   24   26 o   3.9430   1.2290   3.8340   1.7070   4.0530   1.7670 -0.2196000 2.457000 
1 1 1  -26   26    1 o   11.840   0.8448   10.990   1.2200   12.690   1.1690 -1.707000 1.690000 
1 1 1  -26   26    2 f   30.450   0.4212   30.450   0.5855   30.440   0.6055 0.9842000E-02 0.8423000 
1 1 1  -26   26    3 o   7.1320   1.2840   8.3850   1.6250   5.8790   1.9890 2.506000 2.568000 
1 1 1  -26   26    4 o   5.5750   1.3710   6.0740   1.9210   5.0760   1.9560 0.9988000 2.741000 
1 1 1  -26   26    5 o   12.180   0.8093   12.720   1.0480   11.640   1.2330 1.076000 1.619000 
1 1 1  -26   26    6 o   7.0180   1.2430   8.9160   1.5360   5.1200   1.9540 3.795000 2.485000 
1 1 1  -26   26    7 o   20.540   0.5258   20.930   0.7087   20.160   0.7768 0.7658000 1.052000 
1 1 1  -26   26    8 o   25.600   0.5688   26.400   0.7978   24.810   0.8110 1.587000 1.138000 
1 1 1  -26   26    9 o   16.160   0.7895   15.270   1.1710   17.040   1.0590 -1.775000 1.579000 
1 1 1  -26   26   10 o   9.9120   1.2880   8.7440   1.9960   11.080   1.6290 -2.338000 2.577000 
1 1 1  -26   26   11 o   5.8570   1.3770   4.5450   1.8900   7.1690   2.0020 -2.624000 2.753000 
1 1 1  -26   26   12 o   6.0070   1.4080   6.7040   1.9820   5.3110   2.0000 1.393000 2.815000 
1 1 1  -26   26   13 o   15.970   0.5766   15.880   0.8047   16.060   0.8259 -0.1784000 1.153000 
1 1 1  -26   26   14 o   6.6380   1.2200   7.9440   1.5430   5.3330   1.8900 2.612000 2.440000 
1 1 1  -26   26   15 o   8.1660   1.1240   9.2840   1.3160   7.0480   1.8230 2.235000 2.248000 
1 1 1  -26   26   16 o   10.280   0.8924   11.040   1.1220   9.5070   1.3880 1.538000 1.785000 
1 1 1  -26   26   17 o   13.800   0.7060   15.420   0.8367   12.170   1.1370 3.256000 1.412000 
1 1 1  -26   26   18 o   6.4250   1.2930   7.5310   1.7290   5.3190   1.9220 2.212000 2.585000 
1 1 1  -26   26   19 o   4.4120   1.2850   4.0790   1.7540   4.7460   1.8780 -0.6676000 2.570000 
1 1 1  -26   26   20 o   4.4270   1.3380   4.3230   1.8720   4.5300   1.9120 -0.2071000 2.676000 
1 1 1  -26   26   21 o   9.1770   1.2140   9.7960   1.6030   8.5580   1.8250 1.238000 2.429000 
1 1 1  -26   26   22 o   5.0040   1.3180   5.4300   1.8790   4.5770   1.8480 0.8532000 2.636000 
1 1 1  -26   26   23 o   3.8600   1.1830   4.3400   1.7700   3.3800   1.5690 0.9604000 2.366000 
1 1 1  -26   26   24 o   2.6020   0.9170   2.5870   1.2880   2.6180   1.3060 -0.3167000E-01 1.834000 
1 1 1  -26   28    1 o   16.170   0.5666   16.790   0.7545   15.540   0.8454 1.248000 1.133000 
1 1 1  -26   28    2 o   19.430   0.4809   19.890   0.6542   18.980   0.7051 0.9179000 0.9618000 
1 1 1  -26   28    3 o   12.220   0.7245   11.620   1.0510   12.810   0.9980 -1.195000 1.449000 
1 1 1  -26   28    4 o   7.1510   1.1760   5.6710   1.8180   8.6310   1.4920 -2.960000 2.351000 
1 1 1  -26   28    5 o   7.4220   1.1660   8.9210   1.3380   5.9220   1.9100 2.999000 2.332000 
1 1 1  -26   28    6 o   6.9170   1.2440   7.4460   1.6150   6.3880   1.8920 1.058000 2.488000 
1 1 1  -26   28    7 o   15.150   0.6211   16.560   0.7616   13.750   0.9813 2.804000 1.242000 
1 1 1  -26   28    8 o   4.1170   1.2250   4.2050   1.7300   4.0290   1.7350 0.1765000 2.451000 
1 1 1  -26   28    9 o   8.1960   1.1050   9.1030   1.3640   7.2890   1.7380 1.814000 2.210000 
1 1 1  -26   28   10 o   9.4430   0.9524   9.2340   1.3580   9.6520   1.3360 -0.4175000 1.905000 
1 1 1  -26   28   11 o   4.9710   1.2990   4.3850   1.7780   5.5580   1.8940 -1.174000 2.598000 
1 1 1  -26   28   12 o   6.0910   1.3360   6.3880   1.8730   5.7950   1.9050 0.5932000 2.671000 
1 1 1  -26   28   13 o   8.2690   1.1400   6.9050   1.8040   9.6330   1.3950 -2.728000 2.281000 
1 1 1  -26   28   14 o   4.3390   1.2530   4.9350   1.8530   3.7430   1.6860 1.192000 2.505000 
1 1 1  -26   28   15 o   8.8980   1.0770   9.6530   1.3340   8.1430   1.6900 1.510000 2.153000 
1 1 1  -26   28   16 o   4.5370   1.3400   4.2390   1.8310   4.8350   1.9580 -0.5959000 2.681000 
1 1 1  -26   28   17 o   12.260   0.8920   13.770   1.0370   10.760   1.4510 3.016000 1.784000 
1 1 1  -26   28   18 o   3.3050   1.0770   2.4430   1.2210   4.1660   1.7740 -1.722000 2.154000 
1 1 1  -26   28   19 o   3.8100   1.1700   3.2540   1.5180   4.3660   1.7810 -1.112000 2.341000 
1 1 1  -26   28   20 o   2.4740   0.8705   2.6190   1.2890   2.3290   1.1710 0.2906000 1.741000 
1 1 1  -26   28   21 o   3.2010   1.0750   3.2110   1.5240   3.1910   1.5160 0.2009000E-01 2.149000 
1 1 1  -26   30    1 o   3.6510   1.1670   3.6440   1.6360   3.6580   1.6650 -0.1387000E-01 2.335000 
1 1 1  -26   30    2 f   3.8450   1.1650   4.7190   1.8370   2.9710   1.4340 1.747000 2.330000 
1 1 1  -26   30    3 o   12.230   0.7818   13.830   0.9365   10.630   1.2520 3.194000 1.564000 
1 1 1  -26   30    4 o   5.2300   1.3200   5.5820   1.8750   4.8780   1.8590 0.7041000 2.641000 
1 1 1  -26   30    5 o   8.0260   1.1590   9.2860   1.4050   6.7660   1.8440 2.521000 2.319000 
1 1 1  -26   30    6 o   10.270   0.8963   10.250   1.2560   10.290   1.2790 -0.4057000E-01 1.793000 
1 1 1  -26   30    7 o   3.8870   1.1890   4.4890   1.8070   3.2850   1.5460 1.204000 2.378000 
1 1 1  -26   30    8 o   3.9980   1.2290   4.4880   1.8140   3.5090   1.6590 0.9792000 2.458000 
1 1 1  -26   30    9 o   3.1030   1.0610   3.2650   1.5550   2.9410   1.4430 0.3239000 2.121000 
1 1 1  -26   30   10 o   6.5360   1.3770   7.6900   1.8770   5.3820   2.0140 2.308000 2.753000 
1 1 1  -26   30   11 o   3.5830   1.1740   3.3950   1.5940   3.7700   1.7240 -0.3744000 2.348000 
1 1 1  -26   30   12 o   3.9490   1.1910   4.9750   1.9040   2.9220   1.4310 2.053000 2.382000 
1 1 1  -26   30   13 o   3.5080   1.1320   3.5170   1.6020   3.5000   1.6010 0.1774000E-01 2.264000 
1 1 1  -26   30   14 o   3.2320   1.0610   3.6900   1.6350   2.7740   1.3530 0.9161000 2.122000 
1 1 1  -26   30   15 o   2.8030   0.9619   2.7830   1.3520   2.8230   1.3680 -0.3994000E-01 1.924000 
1 1 1  -26   30   16 o   2.7400   0.9411   2.3550   1.1770   3.1240   1.4690 -0.7688000 1.882000 
1 1 1  -26   30   17 o   2.6500   0.9163   2.8900   1.3830   2.4090   1.2020 0.4809000 1.833000 
1 1 1  -26   32    1 o   2.2030   0.7892   2.2060   1.1170   2.1990   1.1150 0.6706000E-02 1.578000 
1 1 1  -26   32    2 o   10.640   0.9354   11.490   1.3140   9.7880   1.3320 1.701000 1.871000 
1 1 1  -26   32    3 o   4.3160   1.2020   5.3920   1.8670   3.2410   1.5150 2.151000 2.405000 
1 1 1  -26   32    4 o   2.9300   1.0030   3.1280   1.4780   2.7310   1.3560 0.3974000 2.005000 
1 1 1  -26   32    5 o   2.8270   0.9690   2.8040   1.3640   2.8500   1.3770 -0.4510000E-01 1.938000 
1 1 1  -26   32    6 o   10.550   0.8526   11.430   1.0980   9.6730   1.3050 1.759000 1.705000 
1 1 1  -26   32    7 o   3.1580   1.0460   3.4470   1.5690   2.8700   1.3830 0.5771000 2.092000 
1 1 1  -26   32    8 o   2.6270   0.9129   2.2640   1.1400   2.9900   1.4260 -0.7262000 1.826000 
1 1 1  -26   32    9 o   1.9710   0.7118   1.9340   0.9888   2.0080   1.0240 -0.7371000E-01 1.424000 
1 1 1  -26   32   10 o   2.4550   0.8620   2.4010   1.1950   2.5090   1.2430 -0.1088000 1.724000 
1 1 1  -26   32   11 o   2.7310   0.9392   2.9450   1.4030   2.5170   1.2490 0.4273000 1.878000 
1 1 1  -26   32   12 f   2.2720   0.8305   2.2500   1.1650   2.2940   1.1840 -0.4403000E-01 1.661000 
1 1 1  -25    1    1 o   5.1580   0.6023   5.4410   0.8457   4.8760   0.8578 0.5642000 1.205000 
1 1 1  -25    1    2 o   14.350   0.2675   14.770   0.3368   13.940   0.4158 0.8291000 0.5350000 
1 1 1  -25    1    3 o   11.320   0.2592   10.330   0.3997   12.320   0.3302 -1.991000 0.5185000 
1 1 1  -25    1    4 f   14.630   0.2700   12.990   0.3980   16.260   0.3651 -3.269000 0.5400000 
1 1 1  -25    1    5 o   21.560   0.2618   20.030   0.3671   23.100   0.3732 -3.072000 0.5235000 
1 1 1  -25    1    6 o   67.210   0.4275   66.810   0.6010   67.600   0.6082 -0.7852000 0.8551000 
1 1 1  -25    1    7 o   35.950   0.2848   36.280   0.4054   35.620   0.4003 0.6581000 0.5697000 
1 1 1  -25    1    8 o   36.140   0.2479   35.790   0.3487   36.480   0.3526 -0.6921000 0.4959000 
1 1 1  -25    1    9 o   33.000   0.2360   32.650   0.3318   33.350   0.3357 -0.6958000 0.4720000 
1 1 1  -25    1   10 o   26.740   0.2183   26.640   0.3095   26.840   0.3080 -0.1936000 0.4366000 
1 1 1  -25    1   11 o   25.560   0.2785   25.970   0.4263   25.160   0.3585 0.8105000 0.5570000 
1 1 1  -25    1   12 o   34.810   0.3617   34.790   0.5122   34.820   0.5108 -0.3145000E-01 0.7234000 
1 1 1  -25    1   13 o   70.710   0.5247   71.150   0.7471   70.280   0.7371 0.8768000 1.049000 
1 1 1  -25    1   14 o   33.300   0.2627   33.190   0.3723   33.400   0.3707 -0.2121000 0.5254000 
1 1 1  -25    1   15 o   53.020   0.3557   53.150   0.5042   52.890   0.5019 0.2567000 0.7114000 
1 1 1  -25    1   16 o   24.910   0.2828   24.720   0.4033   25.110   0.3964 -0.3859000 0.5655000 
1 1 1  -25    1   17 o   13.730   0.4331   14.050   0.5969   13.420   0.6276 0.6345000 0.8661000 
1 1 1  -25    1   18 o   53.320   0.3663   53.210   0.5180   53.430   0.5180 -0.2171000 0.7326000 
1 1 1  -25    1   19 o   36.820   0.3062   37.160   0.4376   36.480   0.4283 0.6832000 0.6123000 
1 1 1  -25    1   20 o   28.620   0.3698   29.040   0.5991   28.200   0.4339 0.8396000 0.7397000 
1 1 1  -25    1   21 o   41.270   0.5487   40.410   0.8942   42.130   0.6362 -1.717000 1.097000 
1 1 1  -25    1   22 o   33.910   0.3783   33.780   0.6152   34.050   0.4405 -0.2673000 0.7567000 
1 1 1  -25    1   23 f   11.650   0.7036   11.040   1.1960   12.260   0.7421 -1.223000 1.407000 
1 1 1  -25    1   24 o   33.000   0.3858   32.790   0.5927   33.220   0.4940 -0.4272000 0.7715000 
1 1 1  -25    1   25 o   24.090   0.3843   23.810   0.4615   24.360   0.6145 -0.5512000 0.7685000 
1 1 1  -25    1   26 o   13.990   0.8027   14.810   0.9024   13.170   1.3280 1.646000 1.605000 
1 1 1  -25    1   27 o   25.060   0.3815   25.170   0.4521   24.960   0.6148 0.2170000 0.7631000 
1 1 1  -25    1   28 o   11.990   0.6454   10.710   0.8436   13.280   0.9771 -2.575000 1.291000 
1 1 1  -25    1   29 o   15.460   0.4453   15.530   0.6253   15.390   0.6342 0.1345000 0.8906000 
1 1 1  -25    1   30 o   7.0860   1.0160   6.7810   1.4570   7.3920   1.4180 -0.6111000 2.033000 
1 1 1  -25    1   31 o   7.2860   1.0300   6.1010   1.6300   8.4710   1.2600 -2.370000 2.060000 
1 1 1  -25    1   32 o   16.810   0.4994   16.390   0.7036   17.230   0.7090 -0.8312000 0.9988000 
1 1 1  -25    1   33 o   7.7950   1.2300   7.8000   1.8180   7.7900   1.6570 0.1019000E-01 2.460000 
1 1 1  -25    1   34 o   4.7700   2.0190  ?   ?    4.7700   2.0190      ?      ? 
1 1 1  -25    1   35 o   6.9630   1.2540   8.1320   1.6030   5.7930   1.9270 2.340000 2.507000 
1 1 1  -25    1   36 o   4.1000   1.2340   4.5430   1.8330   3.6570   1.6530 0.8855000 2.468000 
1 1 1  -25    1   37 o   2.9550   1.0070   2.9220   1.4130   2.9880   1.4350 -0.6606000E-01 2.014000 
1 1 1  -25    3    1 o   28.180   0.2747   27.260   0.4581   29.100   0.3032 -1.838000 0.5494000 
1 1 1  -25    3    2 o   20.880   0.3247   21.140   0.4534   20.620   0.4649 0.5176000 0.6494000 
1 1 1  -25    3    3 o   16.820   0.3551   17.100   0.4924   16.550   0.5117 0.5508000 0.7102000 
1 1 1  -25    3    4 o   34.650   0.3545   34.720   0.5001   34.580   0.5024 0.1434000 0.7089000 
1 1 1  -25    3    5 o   40.460   0.2917   40.670   0.4446   40.250   0.3776 0.4172000 0.5833000 
1 1 1  -25    3    6 o   67.610   0.4307   67.730   0.6098   67.500   0.6083 0.2275000 0.8613000 
1 1 1  -25    3    7 o   68.710   0.4740   68.800   0.6212   68.610   0.7160 0.1894000 0.9479000 
1 1 1  -25    3    8 o   33.340   0.2770   33.410   0.3902   33.270   0.3933 0.1401000 0.5540000 
1 1 1  -25    3    9 o   20.730   0.2117   20.610   0.3030   20.850   0.2958 -0.2420000 0.4235000 
1 1 1  -25    3   10 o   29.700   0.2614   29.790   0.3717   29.610   0.3675 0.1792000 0.5227000 
1 1 1  -25    3   11 o   51.790   0.3920   52.060   0.5576   51.520   0.5512 0.5328000 0.7840000 
1 1 1  -25    3   12 o   53.550   0.3528   53.800   0.5014   53.300   0.4963 0.4976000 0.7055000 
1 1 1  -25    3   13 o   69.030   0.5148   69.180   0.7309   68.890   0.7252 0.2910000 1.030000 
1 1 1  -25    3   14 o   46.930   0.3472   46.480   0.5203   47.370   0.4599 -0.8869000 0.6945000 
1 1 1  -25    3   15 o   39.470   0.3619   39.200   0.5915   39.730   0.4172 -0.5298000 0.7238000 
1 1 1  -25    3   16 o   37.980   0.3657   37.880   0.5981   38.080   0.4210 -0.1971000 0.7314000 
1 1 1  -25    3   17 o   51.610   0.4362   51.680   0.7115   51.540   0.5049 0.1403000 0.8725000 
1 1 1  -25    3   18 f   48.390   0.4212   48.630   0.6879   48.140   0.4863 0.4848000 0.8424000 
1 1 1  -25    3   19 f   39.680   0.4442  ?   ?    39.680   0.4442      ?      ? 
1 1 1  -25    3   20 o   26.690   0.3702   26.670   0.5377   26.700   0.5090 -0.3067000E-01 0.7404000 
1 1 1  -25    3   21 o   22.850   0.3785   22.910   0.5214   22.780   0.5488 0.1348000 0.7570000 
1 1 1  -25    3   22 o   26.220   0.3465   26.820   0.4757   25.620   0.5039 1.203000 0.6930000 
1 1 1  -25    3   23 o   9.4340   0.6886   8.9250   1.0320   9.9430   0.9125 -1.018000 1.377000 
1 1 1  -25    3   24 o   7.0750   0.9244   6.4740   1.4100   7.6760   1.1960 -1.202000 1.849000 
1 1 1  -25    3   25 o   18.470   0.4315   18.290   0.5782   18.660   0.6406 -0.3750000 0.8630000 
1 1 1  -25    3   26 o   9.7930   0.7922   9.3900   1.2120   10.200   1.0200 -0.8060000 1.584000 
1 1 1  -25    3   27 o   8.8160   0.7337   8.0000   1.1230   9.6320   0.9443 -1.632000 1.467000 
1 1 1  -25    3   28 o   4.5350   1.0730   5.5980   1.5160   3.4720   1.5200 2.126000 2.147000 
1 1 1  -25    3   29 o   5.6290   1.1240   3.3540   1.4580   7.9050   1.7100 -4.551000 2.247000 
1 1 1  -25    3   30 o   9.0030   0.9997   9.1690   1.0650   8.8360   1.6920 0.3329000 1.999000 
1 1 1  -25    3   31 o   17.460   0.5568   18.570   0.6032   16.350   0.9361 2.224000 1.114000 
1 1 1  -25    3   32 o   5.8220   1.1590   7.8100   1.4910   3.8340   1.7750 3.976000 2.318000 
1 1 1  -25    3   33 o   8.2870   1.1920   8.9950   1.5560   7.5800   1.8070 1.415000 2.384000 
1 1 1  -25    3   34 o   12.010   0.8338   12.170   1.0700   11.850   1.2790 0.3220000 1.668000 
1 1 1  -25    3   35 o   12.030   0.7846   11.430   1.1410   12.640   1.0770 -1.210000 1.569000 
1 1 1  -25    3   36 f   3.1930   1.0680   3.1930   1.5090   3.1940   1.5130 -0.8228000E-03 2.137000 
1 1 1  -25    3   37 o   2.8850   1.0070   2.8340   1.4010   2.9360   1.4470 -0.1021000 2.014000 
1 1 1  -25    5    1 o   26.830   0.2333   26.080   0.2897   27.580   0.3658 -1.495000 0.4666000 
1 1 1  -25    5    2 o   47.530   0.3386   48.140   0.5185   46.920   0.4356 1.217000 0.6772000 
1 1 1  -25    5    3 o   46.940   0.4479   46.470   0.6267   47.410   0.6400 -0.9483000 0.8957000 
1 1 1  -25    5    4 o   34.030   0.2601   34.260   0.3972   33.800   0.3360 0.4616000 0.5202000 
1 1 1  -25    5    5 o   37.710   0.2813   37.540   0.4246   37.890   0.3691 -0.3545000 0.5627000 
1 1 1  -25    5    6 o   40.230   0.2938   40.760   0.3922   39.700   0.4375 1.055000 0.5876000 
1 1 1  -25    5    7 o   53.820   0.4939   53.410   0.6922   54.240   0.7046 -0.8382000 0.9877000 
1 1 1  -25    5    8 o   57.450   0.5257   57.830   0.7476   57.080   0.7391 0.7506000 1.051000 
1 1 1  -25    5    9 o   47.170   0.3914   47.420   0.6453   46.930   0.4431 0.4870000 0.7827000 
1 1 1  -25    5   10 o   64.390   0.5112   64.230   0.8361   64.540   0.5886 -0.3080000 1.022000 
1 1 1  -25    5   11 o   59.440   0.4782   59.680   0.7848   59.210   0.5465 0.4696000 0.9563000 
1 1 1  -25    5   12 o   59.180   0.4769   58.900   0.7782   59.470   0.5516 -0.5726000 0.9539000 
1 1 1  -25    5   13 o   75.140   0.6255   75.110   0.9696   75.180   0.7904 -0.7558000E-01 1.251000 
1 1 1  -25    5   14 o   46.310   0.3996   46.470   0.6551   46.150   0.4579 0.3188000 0.7993000 
1 1 1  -25    5   15 o   13.660   0.4279   13.590   0.6022   13.730   0.6080 -0.1434000 0.8557000 
1 1 1  -25    5   16 o   29.060   0.2929   29.270   0.4171   28.840   0.4114 0.4329000 0.5859000 
1 1 1  -25    5   17 o   25.910   0.3086   26.020   0.4319   25.800   0.4409 0.2146000 0.6172000 
1 1 1  -25    5   18 o   38.830   0.3148   39.160   0.4478   38.490   0.4425 0.6655000 0.6296000 
1 1 1  -25    5   19 o   18.930   0.4367   19.310   0.6135   18.550   0.6217 0.7573000 0.8734000 
1 1 1  -25    5   20 o   52.840   0.3718   52.770   0.5241   52.910   0.5276 -0.1426000 0.7437000 
1 1 1  -25    5   21 o   36.780   0.3517   36.700   0.4928   36.860   0.5020 -0.1674000 0.7034000 
1 1 1  -25    5   22 o   21.090   0.3921   21.110   0.5371   21.070   0.5714 0.4210000E-01 0.7842000 
1 1 1  -25    5   23 o   12.930   0.5087   13.660   0.6695   12.200   0.7661 1.460000 1.017000 
1 1 1  -25    5   24 o   4.4760   1.1660   5.2410   1.6830   3.7110   1.6130 1.530000 2.331000 
1 1 1  -25    5   25 o   4.7120   0.9435   6.8530   1.4090   2.5700   1.2560 4.282000 1.887000 
1 1 1  -25    5   26 o   3.6180   1.1000   3.4350   1.5170   3.8020   1.5930 -0.3667000 2.200000 
1 1 1  -25    5   27 o   6.2340   1.0370   6.7940   1.3930   5.6730   1.5350 1.121000 2.073000 
1 1 1  -25    5   28 o   27.040   0.3209   27.120   0.4533   26.960   0.4544 0.1664000 0.6418000 
1 1 1  -25    5   29 o   22.680   0.3497   22.680   0.4913   22.680   0.4978 0.6195000E-02 0.6994000 
1 1 1  -25    5   30 o   2.8480   0.9436   3.0320   1.3880   2.6640   1.2790 0.3686000 1.887000 
1 1 1  -25    5   31 o   7.3550   1.0440   7.4180   1.4200   7.2920   1.5320 0.1264000 2.088000 
1 1 1  -25    5   32 o   4.0790   1.2430   4.2830   1.8130   3.8750   1.7010 0.4081000 2.486000 
1 1 1  -25    5   33 o   4.5180   1.3240   5.3230   1.9890   3.7130   1.7480 1.610000 2.648000 
1 1 1  -25    5   34 o   8.2230   1.4880   9.9240   1.4420   6.5220   2.6040 3.402000 2.976000 
1 1 1  -25    5   35 o   4.1050   1.2980   3.4580   1.5790   4.7520   2.0610 -1.293000 2.596000 
1 1 1  -25    5   36 o   3.8460   1.2100   4.2580   1.7830   3.4350   1.6370 0.8230000 2.420000 
1 1 1  -25    5   37 o   2.8530   0.9989   2.4580   1.2510   3.2470   1.5580 -0.7895000 1.998000 
1 1 1  -25    7    1 o   46.990   0.4142   47.300   0.6479   46.680   0.5161 0.6205000 0.8284000 
1 1 1  -25    7    2 o   46.050   0.3843   45.800   0.6309   46.310   0.4389 -0.5114000 0.7686000 
1 1 1  -25    7    3 o   85.580   0.7046   85.360   1.0910   85.800   0.8917 -0.4398000 1.409000 
1 1 1  -25    7    4 f   47.250   0.3926   46.990   0.6441   47.520   0.4490 -0.5297000 0.7852000 
1 1 1  -25    7    5 o   32.290   0.3361   32.960   0.5309   31.620   0.4124 1.346000 0.6722000 
1 1 1  -25    7    6 o   8.8630   0.6984   8.8480   1.1450   8.8790   0.7999 -0.3060000E-01 1.397000 
1 1 1  -25    7    7 o   76.090   0.6321   76.800   0.9885   75.390   0.7882 1.416000 1.264000 
1 1 1  -25    7    8 o   80.820   0.6371   81.870   1.0510   79.770   0.7200 2.100000 1.274000 
1 1 1  -25    7    9 o   3.7400   0.9290   4.2320   1.3380   3.2480   1.2900 0.9838000 1.858000 
1 1 1  -25    7   10 o   62.960   0.4115   63.450   0.5872   62.460   0.5767 0.9934000 0.8230000 
1 1 1  -25    7   11 o   66.960   0.4352   66.720   0.6131   67.200   0.6179 -0.4772000 0.8704000 
1 1 1  -25    7   12 o   17.960   0.4017   16.840   0.6076   19.090   0.5256 -2.252000 0.8033000 
1 1 1  -25    7   13 o   16.020   0.4583   16.660   0.6323   15.390   0.6635 1.275000 0.9166000 
1 1 1  -25    7   14 o   8.4540   0.7723   9.9130   0.8403   6.9960   1.2960 2.917000 1.545000 
1 1 1  -25    7   15 o   16.670   0.4025   16.360   0.5647   16.970   0.5737 -0.6045000 0.8050000 
1 1 1  -25    7   16 o   23.100   0.3335   23.070   0.4592   23.120   0.4836 -0.5137000E-01 0.6669000 
1 1 1  -25    7   17 o   43.710   0.3346   44.000   0.4750   43.420   0.4715 0.5797000 0.6693000 
1 1 1  -25    7   18 o   43.380   0.3879   43.030   0.5498   43.720   0.5474 -0.6873000 0.7759000 
1 1 1  -25    7   19 o   37.090   0.3161   37.110   0.4465   37.070   0.4476 0.3977000E-01 0.6323000 
1 1 1  -25    7   20 o   19.050   0.3862   19.220   0.5358   18.890   0.5564 0.3361000 0.7725000 
1 1 1  -25    7   21 o   11.530   0.6356   11.530   0.8668   11.530   0.9298 0.9069000E-03 1.271000 
1 1 1  -25    7   22 o   20.320   0.3579   20.380   0.5012   20.250   0.5110 0.1276000 0.7157000 
1 1 1  -25    7   23 o   6.5630   1.0910   7.7150   1.3160   5.4110   1.7410 2.304000 2.182000 
1 1 1  -25    7   24 o   16.630   0.4720   16.390   0.6463   16.880   0.6881 -0.4941000 0.9440000 
1 1 1  -25    7   25 o   5.6050   1.0590   6.1550   1.4040   5.0540   1.5850 1.101000 2.118000 
1 1 1  -25    7   26 o   16.070   0.4952   16.420   0.6880   15.720   0.7125 0.6981000 0.9904000 
1 1 1  -25    7   27 o   9.8780   0.6690   10.160   0.8884   9.5980   1.0000 0.5590000 1.338000 
1 1 1  -25    7   28 o   9.6560   0.7040   9.5560   0.9876   9.7550   1.0040 -0.1991000 1.408000 
1 1 1  -25    7   29 o   14.990   0.4872   14.640   0.6833   15.350   0.6947 -0.7140000 0.9744000 
1 1 1  -25    7   30 o   25.140   0.3591   25.380   0.4987   24.900   0.5169 0.4717000 0.7183000 
1 1 1  -25    7   31 o   14.500   0.5634   14.440   0.7919   14.560   0.8016 -0.1171000 1.127000 
1 1 1  -25    7   32 o   5.1170   1.3610   4.7110   1.8920   5.5240   1.9570 -0.8135000 2.722000 
1 1 1  -25    7   33 o   6.6620   1.1910   8.2990   1.4780   5.0250   1.8680 3.274000 2.382000 
1 1 1  -25    7   34 o   4.2480   1.2720   4.8850   1.9260   3.6120   1.6610 1.273000 2.544000 
1 1 1  -25    7   35 o   6.8220   1.2890   6.0080   1.9130   7.6360   1.7270 -1.629000 2.577000 
1 1 1  -25    7   36 o   2.8090   0.9939   2.5690   1.2890   3.0490   1.5140 -0.4795000 1.988000 
1 1 1  -25    9    1 o   34.830   0.3141   33.100   0.4300   36.560   0.4580 -3.466000 0.6283000 
1 1 1  -25    9    2 o   98.510   0.6250   98.110   0.8806   98.920   0.8873 -0.8117000 1.250000 
1 1 1  -25    9    3 o  108.200   0.6848  108.500   0.9715  107.900   0.9655 0.6908000 1.370000 
1 1 1  -25    9    4 o   36.110   0.2730   36.180   0.3845   36.040   0.3877 0.1456000 0.5460000 
1 1 1  -25    9    5 o   56.030   0.3705   56.560   0.5274   55.510   0.5204 1.057000 0.7410000 
1 1 1  -25    9    6 o   22.900   0.2713   22.780   0.3761   23.020   0.3911 -0.2441000 0.5426000 
1 1 1  -25    9    7 o   12.280   0.4677   12.700   0.6623   11.860   0.6605 0.8461000 0.9354000 
1 1 1  -25    9    8 o   74.810   0.4824   74.820   0.6821   74.800   0.6824 0.2519000E-01 0.9649000 
1 1 1  -25    9    9 o   49.270   0.3416   49.470   0.4846   49.070   0.4816 0.4060000 0.6832000 
1 1 1  -25    9   10 o   38.470   0.2995   37.770   0.4182   39.180   0.4289 -1.419000 0.5990000 
1 1 1  -25    9   11 o   48.950   0.4018   48.950   0.5708   48.950   0.5658 0.6496000E-02 0.8037000 
1 1 1  -25    9   12 o   29.010   0.3951   29.610   0.6114   28.410   0.5007 1.203000 0.7902000 
1 1 1  -25    9   13 o   53.560   0.3717   53.730   0.5264   53.390   0.5248 0.3464000 0.7433000 
1 1 1  -25    9   14 o   98.560   0.6310   98.780   0.8938   98.350   0.8908 0.4233000 1.262000 
1 1 1  -25    9   15 o   20.370   0.3857   20.330   0.5333   20.420   0.5573 -0.9306000E-01 0.7714000 
1 1 1  -25    9   16 o   35.640   0.3754   35.660   0.5287   35.630   0.5330 0.3600000E-01 0.7508000 
1 1 1  -25    9   17 o   54.420   0.4433   54.410   0.6244   54.440   0.6294 -0.2724000E-01 0.8866000 
1 1 1  -25    9   18 o   28.410   0.3270   28.020   0.4603   28.810   0.4645 -0.7914000 0.6540000 
1 1 1  -25    9   19 o   30.100   0.3241   30.480   0.4518   29.720   0.4647 0.7537000 0.6482000 
1 1 1  -25    9   20 o   23.770   0.3469   23.900   0.4799   23.650   0.5010 0.2547000 0.6938000 
1 1 1  -25    9   21 o   29.730   0.3472   29.760   0.4816   29.700   0.5002 0.6530000E-01 0.6943000 
1 1 1  -25    9   22 o   22.160   0.4103   22.220   0.5570   22.110   0.6027 0.1122000 0.8206000 
1 1 1  -25    9   23 o   14.340   0.5531   15.110   0.7159   13.580   0.8434 1.533000 1.106000 
1 1 1  -25    9   24 o   15.470   0.4530   15.430   0.6331   15.510   0.6481 -0.8756000E-01 0.9059000 
1 1 1  -25    9   25 o   34.280   0.3148   34.370   0.4456   34.200   0.4447 0.1715000 0.6295000 
1 1 1  -25    9   26 o   9.5150   0.8361   9.5740   1.2030   9.4550   1.1620 0.1189000 1.672000 
1 1 1  -25    9   27 o   10.620   0.6425   10.950   0.8626   10.300   0.9525 0.6515000 1.285000 
1 1 1  -25    9   28 o   16.130   0.4596   16.940   0.6021   15.320   0.6946 1.622000 0.9192000 
1 1 1  -25    9   29 o   8.1530   0.9067   8.2050   1.2480   8.1020   1.3160 0.1027000 1.813000 
1 1 1  -25    9   30 o   3.7220   1.0990   4.5380   1.7100   2.9060   1.3810 1.632000 2.198000 
1 1 1  -25    9   31 o   4.0210   1.2360   4.3700   1.8350   3.6730   1.6560 0.6968000 2.472000 
1 1 1  -25    9   32 o   9.4730   0.9362   9.5370   1.2760   9.4100   1.3710 0.1271000 1.872000 
1 1 1  -25    9   33 o   12.370   0.8162   13.350   0.9770   11.380   1.3080 1.966000 1.632000 
1 1 1  -25    9   34 o   4.1540   1.2730   3.6270   1.6700   4.6810   1.9220 -1.054000 2.546000 
1 1 1  -25    9   35 o   4.4060   1.3250   3.8580   1.7570   4.9540   1.9840 -1.096000 2.650000 
1 1 1  -25    9   36 o   3.8220   1.2080   4.4980   1.9000   3.1460   1.4940 1.352000 2.416000 
1 1 1  -25   11    1 o   63.700   0.4186   63.790   0.5922   63.610   0.5918 0.1764000 0.8372000 
1 1 1  -25   11    2 o   38.480   0.3207   39.060   0.4912   37.910   0.4123 1.150000 0.6413000 
1 1 1  -25   11    3 o   54.410   0.3665   54.460   0.5180   54.370   0.5186 0.9155000E-01 0.7330000 
1 1 1  -25   11    4 o   44.320   0.3187   44.590   0.4502   44.060   0.4512 0.5234000 0.6374000 
1 1 1  -25   11    5 f   27.830   0.2885   28.080   0.3997   27.580   0.4162 0.4966000 0.5771000 
1 1 1  -25   11    6 o   69.180   0.4515   69.100   0.6367   69.260   0.6403 -0.1600000 0.9030000 
1 1 1  -25   11    7 f   68.990   0.4515   69.070   0.6378   68.910   0.6392 0.1578000 0.9030000 
1 1 1  -25   11    8 o   54.530   0.3738   54.650   0.5273   54.400   0.5299 0.2507000 0.7476000 
1 1 1  -25   11    9 o   29.810   0.3698   29.620   0.5330   30.010   0.5126 -0.3918000 0.7395000 
1 1 1  -25   11   10 o   50.280   0.4167   51.180   0.5954   49.370   0.5830 1.805000 0.8333000 
1 1 1  -25   11   11 o   49.290   0.3567   49.050   0.5002   49.520   0.5088 -0.4666000 0.7134000 
1 1 1  -25   11   12 o   6.1220   1.1680   6.3980   1.6030   5.8460   1.7010 0.5513000 2.337000 
1 1 1  -25   11   13 o   15.410   0.5912   16.300   0.7658   14.530   0.9009 1.771000 1.182000 
1 1 1  -25   11   14 o   14.660   0.6256   14.470   0.8739   14.850   0.8953 -0.3829000 1.251000 
1 1 1  -25   11   15 o   32.770   0.3679   31.880   0.4652   33.660   0.5700 -1.781000 0.7358000 
1 1 1  -25   11   16 o   32.370   0.3332   32.560   0.4606   32.170   0.4815 0.3980000 0.6663000 
1 1 1  -25   11   17 o   54.530   0.3869   54.340   0.5442   54.730   0.5500 -0.3883000 0.7737000 
1 1 1  -25   11   18 o   19.310   0.4076   19.570   0.5595   19.050   0.5928 0.5217000 0.8152000 
1 1 1  -25   11   19 o   16.690   0.4440   16.710   0.6141   16.670   0.6415 0.4816000E-01 0.8881000 
1 1 1  -25   11   20 o   26.980   0.4313   28.050   0.5830   25.920   0.6358 2.132000 0.8626000 
1 1 1  -25   11   21 o   30.600   0.3695   30.430   0.5161   30.780   0.5288 -0.3526000 0.7389000 
1 1 1  -25   11   22 o   24.650   0.3381   24.900   0.4723   24.400   0.4839 0.4983000 0.6762000 
1 1 1  -25   11   23 o   18.080   0.4022   17.720   0.5663   18.440   0.5713 -0.7219000 0.8044000 
1 1 1  -25   11   24 o   5.0240   1.1430   5.1250   1.5810   4.9230   1.6520 0.2027000 2.287000 
1 1 1  -25   11   25 o   25.880   0.3906   25.970   0.5658   25.780   0.5386 0.1907000 0.7811000 
1 1 1  -25   11   26 o   6.9090   1.0010   7.4760   1.2740   6.3420   1.5450 1.134000 2.003000 
1 1 1  -25   11   27 o   13.180   0.5606   14.540   0.6876   11.820   0.8857 2.716000 1.121000 
1 1 1  -25   11   28 o   23.990   0.3675   23.730   0.5102   24.260   0.5290 -0.5375000 0.7349000 
1 1 1  -25   11   29 o   5.2440   1.2330   4.9280   1.7270   5.5600   1.7600 -0.6321000 2.466000 
1 1 1  -25   11   30 o   12.510   0.7811   12.520   1.0920   12.510   1.1170 0.5554000E-02 1.562000 
1 1 1  -25   11   31 o   16.750   0.5359   17.270   0.7132   16.240   0.8001 1.027000 1.072000 
1 1 1  -25   11   32 o   6.6270   1.3130   6.6350   1.8110   6.6180   1.9010 0.1760000E-01 2.626000 
1 1 1  -25   11   33 o   8.5650   1.2540   10.060   1.4360   7.0690   2.0570 2.992000 2.509000 
1 1 1  -25   11   34 o   8.4760   1.3620   11.950   1.4740   5.0020   2.2910 6.949000 2.724000 
1 1 1  -25   11   35 o   2.6890   0.9630   2.6610   1.3300   2.7160   1.3930 -0.5570000E-01 1.926000 
1 1 1  -25   13    1 o   62.120   0.4810   61.620   0.6741   62.630   0.6865 -1.008000 0.9621000 
1 1 1  -25   13    2 o   48.760   0.4057   49.400   0.5758   48.130   0.5717 1.270000 0.8114000 
1 1 1  -25   13    3 o   28.200   0.4231   28.640   0.5009   27.760   0.6820 0.8799000 0.8462000 
1 1 1  -25   13    4 o   65.920   0.5659   66.450   0.8775   65.390   0.7147 1.067000 1.132000 
1 1 1  -25   13    5 o   18.500   0.4769   19.420   0.6259   17.570   0.7197 1.849000 0.9538000 
1 1 1  -25   13    6 o   23.810   0.4074   23.690   0.5592   23.930   0.5926 -0.2427000 0.8148000 
1 1 1  -25   13    7 o   35.770   0.3741   35.670   0.5154   35.860   0.5424 -0.1929000 0.7482000 
1 1 1  -25   13    8 o   17.710   0.4434   17.560   0.5946   17.860   0.6578 -0.3062000 0.8867000 
1 1 1  -25   13    9 o   34.300   0.3720   35.000   0.5073   33.600   0.5442 1.406000 0.7440000 
1 1 1  -25   13   10 o   42.960   0.3950   42.870   0.5526   43.050   0.5644 -0.1810000 0.7899000 
1 1 1  -25   13   11 o   71.650   0.5495   71.690   0.7764   71.610   0.7778 0.7849000E-01 1.099000 
1 1 1  -25   13   12 o   14.480   0.5845   14.210   0.8264   14.740   0.8267 -0.5264000 1.169000 
1 1 1  -25   13   13 o   40.760   0.3445   40.750   0.4844   40.780   0.4899 -0.3635000E-01 0.6890000 
1 1 1  -25   13   14 o   8.6070   0.9634   7.9320   1.4260   9.2820   1.2960 -1.350000 1.927000 
1 1 1  -25   13   15 o   30.090   0.3436   29.930   0.4783   30.250   0.4934 -0.3203000 0.6872000 
1 1 1  -25   13   16 o   49.670   0.3674   50.080   0.5199   49.260   0.5193 0.8173000 0.7348000 
1 1 1  -25   13   17 o   12.640   0.6039   13.510   0.7898   11.780   0.9137 1.734000 1.208000 
1 1 1  -25   13   18 o   32.630   0.3783   33.130   0.5187   32.130   0.5508 1.003000 0.7566000 
1 1 1  -25   13   19 f   9.3430   1.0350   9.3460   1.3310   9.3410   1.5850 0.5470000E-02 2.070000 
1 1 1  -25   13   20 o   25.510   0.3415   25.930   0.4764   25.090   0.4894 0.8428000 0.6830000 
1 1 1  -25   13   21 o   4.5700   1.1600   4.6480   1.6230   4.4930   1.6590 0.1544000 2.320000 
1 1 1  -25   13   22 o   26.420   0.3338   26.460   0.4706   26.390   0.4735 0.7004000E-01 0.6676000 
1 1 1  -25   13   23 o   11.110   0.6256   10.510   0.9086   11.700   0.8601 -1.192000 1.251000 
1 1 1  -25   13   24 o   13.240   0.6448   13.270   0.9253   13.210   0.8983 0.5166000E-01 1.290000 
1 1 1  -25   13   25 o   19.780   0.4714   19.890   0.6737   19.660   0.6596 0.2342000 0.9428000 
1 1 1  -25   13   26 o   6.7710   1.0860   7.5060   1.3710   6.0350   1.6840 1.471000 2.172000 
1 1 1  -25   13   27 o   9.2450   0.8783   10.070   1.0720   8.4230   1.3920 1.644000 1.757000 
1 1 1  -25   13   28 o   4.3440   1.1250   5.6740   1.7450   3.0130   1.4210 2.660000 2.251000 
1 1 1  -25   13   29 o   16.770   0.6179   16.140   0.8726   17.400   0.8752 -1.260000 1.236000 
1 1 1  -25   13   30 o   28.650   0.4795   28.990   0.5281   28.310   0.8005 0.6820000 0.9589000 
1 1 1  -25   13   31 o   4.0630   1.2400   4.5240   1.7750   3.6030   1.7320 0.9214000 2.480000 
1 1 1  -25   13   32 o   3.8490   1.2390   3.9400   1.7160   3.7580   1.7870 0.1821000 2.477000 
1 1 1  -25   13   33 o   9.1980   1.3680   12.130   1.4400   6.2660   2.3250 5.864000 2.735000 
1 1 1  -25   13   34 o   2.9880   1.0310   2.9790   1.4570   2.9960   1.4600 -0.1682000E-01 2.063000 
1 1 1  -25   15    1 o   19.590   0.4785   19.300   0.6707   19.880   0.6825 -0.5799000 0.9569000 
1 1 1  -25   15    2 o   17.480   0.5178   17.460   0.7197   17.500   0.7448 -0.3484000E-01 1.036000 
1 1 1  -25   15    3 o   29.710   0.3768   29.640   0.5287   29.770   0.5371 -0.1309000 0.7536000 
1 1 1  -25   15    4 o   53.370   0.4348   53.420   0.6141   53.320   0.6156 0.1034000 0.8695000 
1 1 1  -25   15    5 o   33.880   0.3788   33.940   0.5225   33.820   0.5487 0.1120000 0.7577000 
1 1 1  -25   15    6 o   40.290   0.4352   39.060   0.5338   41.520   0.6875 -2.463000 0.8704000 
1 1 1  -25   15    7 o   26.510   0.3680   26.270   0.5023   26.750   0.5380 -0.4860000 0.7360000 
1 1 1  -25   15    8 o   38.450   0.3412   38.040   0.4716   38.860   0.4932 -0.8226000 0.6824000 
1 1 1  -25   15    9 o   14.800   0.5807   14.380   0.8058   15.210   0.8365 -0.8293000 1.161000 
1 1 1  -25   15   10 o   27.760   0.3647   27.990   0.4937   27.520   0.5369 0.4774000 0.7294000 
1 1 1  -25   15   11 o   22.960   0.4132   22.680   0.5773   23.240   0.5912 -0.5550000 0.8263000 
1 1 1  -25   15   12 o   27.700   0.3675   27.190   0.5127   28.200   0.5267 -1.006000 0.7350000 
1 1 1  -25   15   13 o   17.650   0.4958   18.480   0.6575   16.820   0.7423 1.657000 0.9916000 
1 1 1  -25   15   14 o   11.670   0.7327   13.130   0.8846   10.210   1.1680 2.915000 1.465000 
1 1 1  -25   15   15 o   9.4330   0.9047   7.6860   1.4760   11.180   1.0470 -3.494000 1.809000 
1 1 1  -25   15   16 o   4.6460   1.2900   4.3910   1.7690   4.9020   1.8790 -0.5102000 2.581000 
1 1 1  -25   15   17 o   35.790   0.4476   35.530   0.6179   36.040   0.6478 -0.5162000 0.8952000 
1 1 1  -25   15   18 o   30.320   0.3677   30.650   0.5146   29.980   0.5252 0.6698000 0.7353000 
1 1 1  -25   15   19 o   11.880   0.6113   11.830   0.8495   11.930   0.8794 -0.9789000E-01 1.223000 
1 1 1  -25   15   20 o   16.360   0.4695   17.570   0.5978   15.150   0.7242 2.413000 0.9391000 
1 1 1  -25   15   21 o   16.910   0.4347   16.310   0.6129   17.510   0.6165 -1.203000 0.8693000 
1 1 1  -25   15   22 o   17.260   0.4395   17.430   0.5917   17.100   0.6500 0.3318000 0.8790000 
1 1 1  -25   15   23 o   19.920   0.4703   19.640   0.6816   20.190   0.6482 -0.5511000 0.9406000 
1 1 1  -25   15   24 o   15.160   0.5839   14.940   0.8341   15.380   0.8173 -0.4367000 1.168000 
1 1 1  -25   15   25 o   20.090   0.4159   20.150   0.5707   20.030   0.6052 0.1191000 0.8319000 
1 1 1  -25   15   26 o   10.420   0.9413   11.750   0.9393   9.0770   1.6320 2.676000 1.883000 
1 1 1  -25   15   27 o   12.900   1.0740   13.740   0.9814   12.050   1.9120 1.685000 2.149000 
1 1 1  -25   15   28 o   11.150   1.4150   13.240   0.9261   9.0540   2.6740 4.190000 2.830000 
1 1 1  -25   15   29 o   13.360   0.8416   14.250   0.8818   12.460   1.4340 1.782000 1.683000 
1 1 1  -25   15   30 o   4.0160   1.2260   3.8530   1.6840   4.1780   1.7830 -0.3251000 2.453000 
1 1 1  -25   15   31 o   7.0170   1.2730   7.2250   1.7090   6.8090   1.8880 0.4169000 2.547000 
1 1 1  -25   15   32 f   3.3770   1.1570   3.3140   1.6090   3.4410   1.6630 -0.1267000 2.314000 
1 1 1  -25   15   33 o   3.1200   1.0420   2.8520   1.3850   3.3880   1.5580 -0.5360000 2.085000 
1 1 1  -25   17    1 o   31.690   0.3456   31.590   0.4875   31.790   0.4902 -0.2077000 0.6913000 
1 1 1  -25   17    2 o   40.710   0.3427   40.690   0.4821   40.730   0.4871 -0.4735000E-01 0.6854000 
1 1 1  -25   17    3 o   27.800   0.3572   28.350   0.4941   27.260   0.5158 1.090000 0.7143000 
1 1 1  -25   17    4 o   27.840   0.3549   27.650   0.5001   28.030   0.5038 -0.3828000 0.7099000 
1 1 1  -25   17    5 o   21.660   0.4187   20.850   0.5839   22.470   0.6003 -1.621000 0.8374000 
1 1 1  -25   17    6 o   22.790   0.4077   22.900   0.5520   22.680   0.6003 0.2139000 0.8155000 
1 1 1  -25   17    7 o   17.630   0.5074   17.900   0.6722   17.350   0.7604 0.5572000 1.015000 
1 1 1  -25   17    8 o   43.200   0.3524   43.950   0.4919   42.440   0.5047 1.512000 0.7048000 
1 1 1  -25   17    9 f   24.290   0.3907   23.820   0.5382   24.760   0.5664 -0.9321000 0.7814000 
1 1 1  -25   17   10 o   31.310   0.3454   32.000   0.4664   30.610   0.5095 1.392000 0.6907000 
1 1 1  -25   17   11 o   18.560   0.5033   18.330   0.6177   18.780   0.7948 -0.4499000 1.007000 
1 1 1  -25   17   12 o   23.560   0.4384   23.270   0.5760   23.850   0.6612 -0.5829000 0.8768000 
1 1 1  -25   17   13 o   29.690   0.4072   29.450   0.5553   29.930   0.5956 -0.4786000 0.8143000 
1 1 1  -25   17   14 o   18.010   0.5325   17.720   0.7378   18.300   0.7682 -0.5788000 1.065000 
1 1 1  -25   17   15 o   12.670   0.6983   12.520   0.9830   12.810   0.9920 -0.2866000 1.397000 
1 1 1  -25   17   16 o   20.010   0.4592   20.120   0.6220   19.900   0.6757 0.2160000 0.9184000 
1 1 1  -25   17   17 o   17.290   0.4593   17.250   0.6314   17.340   0.6673 -0.9153000E-01 0.9187000 
1 1 1  -25   17   18 o   10.660   0.7096   10.130   1.0040   11.190   1.0030 -1.063000 1.419000 
1 1 1  -25   17   19 o   21.630   0.3895   21.570   0.5368   21.690   0.5646 -0.1238000 0.7790000 
1 1 1  -25   17   20 o   7.5870   1.0070   8.5550   1.1730   6.6190   1.6360 1.936000 2.013000 
1 1 1  -25   17   21 o   19.460   0.4506   19.900   0.5729   19.030   0.6957 0.8782000 0.9012000 
1 1 1  -25   17   22 o   9.2670   1.0330   8.9490   1.4310   9.5850   1.4910 -0.6357000 2.067000 
1 1 1  -25   17   23 o   3.1370   1.0510   2.5140   1.2260   3.7610   1.7060 -1.247000 2.101000 
1 1 1  -25   17   24 o   11.540   0.8598   12.470   0.8696   10.620   1.4830 1.845000 1.720000 
1 1 1  -25   17   25 o   7.8930   1.3620   10.020   1.6390   5.7630   2.1750 4.260000 2.723000 
1 1 1  -25   17   26 o   9.6850   1.0970   10.190   1.4230   9.1830   1.6700 1.002000 2.194000 
1 1 1  -25   17   27 o   2.8580   0.9742   2.9130   1.3850   2.8020   1.3710 0.1119000 1.948000 
1 1 1  -25   17   28 o   7.5740   1.1910   7.7230   1.5830   7.4250   1.7800 0.2982000 2.382000 
1 1 1  -25   17   29 o   11.530   0.8066   11.270   1.1200   11.790   1.1610 -0.5233000 1.613000 
1 1 1  -25   17   30 o   3.5970   1.1520   3.9440   1.7120   3.2500   1.5410 0.6942000 2.304000 
1 1 1  -25   17   31 o   3.5370   1.1860   4.1830   1.8800   2.8910   1.4480 1.292000 2.373000 
1 1 1  -25   17   32 o   2.6050   0.9136   2.4310   1.2160   2.7780   1.3640 -0.3468000 1.827000 
1 1 1  -25   19    1 o   22.430   0.4535   21.790   0.6417   23.070   0.6409 -1.288000 0.9069000 
1 1 1  -25   19    2 f   15.250   0.6067   14.190   0.8859   16.320   0.8291 -2.128000 1.213000 
1 1 1  -25   19    3 o   23.100   0.4412   23.020   0.6117   23.180   0.6359 -0.1599000 0.8824000 
1 1 1  -25   19    4 o   12.540   0.7163   13.380   0.9301   11.710   1.0900 1.666000 1.433000 
1 1 1  -25   19    5 o   34.630   0.3909   34.960   0.5288   34.300   0.5758 0.6627000 0.7817000 
1 1 1  -25   19    6 o   36.110   0.3938   36.420   0.5319   35.800   0.5810 0.6214000 0.7877000 
1 1 1  -25   19    7 o   23.990   0.4520   24.600   0.5772   23.380   0.6958 1.220000 0.9040000 
1 1 1  -25   19    8 o   23.370   0.4526   21.990   0.6160   24.750   0.6634 -2.763000 0.9053000 
1 1 1  -25   19    9 o   17.920   0.5428   17.290   0.7319   18.560   0.8017 -1.264000 1.086000 
1 1 1  -25   19   10 o   37.280   0.3377   37.620   0.4678   36.950   0.4871 0.6640000 0.6753000 
1 1 1  -25   19   11 o   23.290   0.3835   24.170   0.4991   22.410   0.5824 1.757000 0.7670000 
1 1 1  -25   19   12 o   17.890   0.5206   18.340   0.7089   17.430   0.7628 0.9114000 1.041000 
1 1 1  -25   19   13 o   14.320   0.6232   14.220   0.8521   14.420   0.9096 -0.2036000 1.246000 
1 1 1  -25   19   14 o   10.040   0.8127   8.9070   1.2660   11.180   1.0190 -2.269000 1.625000 
1 1 1  -25   19   15 o   17.700   0.4606   18.370   0.6029   17.030   0.6965 1.335000 0.9211000 
1 1 1  -25   19   16 o   12.960   0.6975   12.630   0.8452   13.300   1.1100 -0.6677000 1.395000 
1 1 1  -25   19   17 o   9.9360   0.8759   9.4360   1.1120   10.440   1.3530 -0.9994000 1.752000 
1 1 1  -25   19   18 o   4.7360   1.2420   5.3180   1.6970   4.1540   1.8140 1.164000 2.483000 
1 1 1  -25   19   19 o   4.4890   1.2680   3.8580   1.5940   5.1210   1.9710 -1.263000 2.535000 
1 1 1  -25   19   20 o   18.910   0.5652   19.120   0.7466   18.700   0.8486 0.4223000 1.130000 
1 1 1  -25   19   21 o   19.610   0.5166   20.040   0.7162   19.180   0.7446 0.8585000 1.033000 
1 1 1  -25   19   22 o   9.9910   0.8359   9.2130   1.2100   10.770   1.1530 -1.557000 1.672000 
1 1 1  -25   19   23 o   11.640   0.9186   11.080   1.3660   12.190   1.2290 -1.108000 1.837000 
1 1 1  -25   19   24 o   6.0400   1.3490   7.4510   1.8710   4.6300   1.9450 2.821000 2.699000 
1 1 1  -25   19   25 o   13.170   0.6890   13.050   0.9176   13.290   1.0280 -0.2438000 1.378000 
1 1 1  -25   19   26 f   3.8390   1.1880   4.0680   1.6970   3.6110   1.6640 0.4569000 2.377000 
1 1 1  -25   19   27 f   4.5620   1.2870   4.4850   1.7800   4.6380   1.8600 -0.1531000 2.574000 
1 1 1  -25   19   28 o   4.5810   1.2990   4.5860   1.8110   4.5760   1.8620 0.9631000E-02 2.597000 
1 1 1  -25   19   29 o   6.2740   1.4530   5.4660   2.0010   7.0820   2.1080 -1.616000 2.906000 
1 1 1  -25   19   30 o   11.270   0.9412   11.940   1.1810   10.600   1.4660 1.347000 1.882000 
1 1 1  -25   19   31 o   2.4760   0.8735   2.2570   1.1350   2.6960   1.3280 -0.4394000 1.747000 
1 1 1  -25   21    1 f   19.670   0.4822   19.870   0.6866   19.480   0.6772 0.3912000 0.9644000 
1 1 1  -25   21    2 o   16.180   0.5638   16.450   0.7958   15.900   0.7988 0.5522000 1.128000 
1 1 1  -25   21    3 o   12.810   0.6937   13.190   0.9506   12.430   1.0100 0.7635000 1.387000 
1 1 1  -25   21    4 o   21.660   0.4517   21.310   0.6555   22.000   0.6217 -0.6907000 0.9035000 
1 1 1  -25   21    5 f   30.310   0.4061   31.310   0.5503   29.300   0.5975 2.008000 0.8123000 
1 1 1  -25   21    6 o   21.080   0.4846   21.770   0.6406   20.390   0.7274 1.384000 0.9693000 
1 1 1  -25   21    7 o   15.060   0.6308   14.460   0.8871   15.670   0.8972 -1.212000 1.262000 
1 1 1  -25   21    8 o   6.7190   1.2380   5.1340   1.8570   8.3040   1.6390 -3.169000 2.476000 
1 1 1  -25   21    9 o   10.220   1.0530   11.610   1.0830   8.8260   1.8070 2.781000 2.107000 
1 1 1  -25   21   10 o   8.4140   1.1560   6.9200   1.7030   9.9080   1.5620 -2.987000 2.311000 
1 1 1  -25   21   11 o   14.380   0.6489   14.790   0.7149   13.970   1.0830 0.8216000 1.298000 
1 1 1  -25   21   12 o   16.550   0.5852   17.440   0.6172   15.650   0.9944 1.791000 1.170000 
1 1 1  -25   21   13 o   17.040   0.5574   16.610   0.6413   17.470   0.9119 -0.8551000 1.115000 
1 1 1  -25   21   14 f   12.250   0.7426   12.780   0.8161   11.720   1.2410 1.069000 1.485000 
1 1 1  -25   21   15 o   21.860   0.4287   22.280   0.5973   21.440   0.6151 0.8433000 0.8574000 
1 1 1  -25   21   16 o   12.610   0.6470   12.050   0.9202   13.170   0.9098 -1.112000 1.294000 
1 1 1  -25   21   17 o   6.3160   1.2020   7.2190   1.5530   5.4130   1.8340 1.806000 2.404000 
1 1 1  -25   21   18 o   6.4300   1.3240   7.2630   1.7890   5.5960   1.9530 1.668000 2.649000 
1 1 1  -25   21   19 o   14.540   0.6910   14.840   0.9149   14.240   1.0360 0.5923000 1.382000 
1 1 1  -25   21   20 o   11.460   0.7729   11.060   1.0950   11.870   1.0910 -0.8044000 1.546000 
1 1 1  -25   21   21 o   6.8940   1.3320   8.8530   1.7560   4.9350   2.0040 3.918000 2.664000 
1 1 1  -25   21   22 o   6.5900   1.2180   8.1300   1.5230   5.0490   1.9010 3.081000 2.436000 
1 1 1  -25   21   23 o   3.4320   1.1190   3.5640   1.6090   3.3010   1.5560 0.2633000 2.238000 
1 1 1  -25   21   24 o   4.7590   1.3070   5.0810   1.8570   4.4370   1.8400 0.6433000 2.614000 
1 1 1  -25   21   25 o   3.0570   1.0300   3.4760   1.5930   2.6370   1.3070 0.8397000 2.060000 
1 1 1  -25   21   26 o   11.100   0.8470   10.360   1.2580   11.850   1.1350 -1.484000 1.694000 
1 1 1  -25   21   27 o   4.4610   1.3280   4.4230   1.8700   4.4990   1.8850 -0.7595000E-01 2.656000 
1 1 1  -25   21   28 o   2.9130   1.0090   2.8960   1.4170   2.9300   1.4370 -0.3427000E-01 2.018000 
1 1 1  -25   21   29 o   8.2620   1.2140   10.140   1.3950   6.3850   1.9880 3.755000 2.429000 
1 1 1  -25   23    1 o   7.4930   1.1390   7.8650   1.3510   7.1220   1.8330 0.7430000 2.278000 
1 1 1  -25   23    2 o   10.240   0.9662   10.160   1.0400   10.310   1.6290 -0.1514000 1.932000 
1 1 1  -25   23    3 o   11.160   0.9682   12.800   0.8186   9.5090   1.7550 3.292000 1.936000 
1 1 1  -25   23    4 o   39.570   0.4231   39.490   0.4752   39.650   0.7000 -0.1590000 0.8461000 
1 1 1  -25   23    5 o   31.390   0.4728   31.390   0.4728  ?   ?       ?      ? 
1 1 1  -25   23    6 f   25.610   0.4475   25.850   0.4892   25.360   0.7495 0.4887000 0.8950000 
1 1 1  -25   23    7 o   6.8740   1.3070   6.9850   1.5270   6.7630   2.1220 0.2227000 2.614000 
1 1 1  -25   23    8 o   4.5100   1.1350   5.7400   1.6840   3.2810   1.5210 2.459000 2.270000 
1 1 1  -25   23    9 o   5.9310   1.2360   6.0580   1.6580   5.8050   1.8330 0.2529000 2.472000 
1 1 1  -25   23   10 o   6.0160   1.2260   6.3350   1.6210   5.6970   1.8400 0.6379000 2.452000 
1 1 1  -25   23   11 o   17.830   0.4743   17.680   0.6299   17.980   0.7094 -0.2997000 0.9487000 
1 1 1  -25   23   12 o   9.3510   0.8802   8.9010   1.2130   9.8010   1.2760 -0.9003000 1.760000 
1 1 1  -25   23   13 o   9.2240   0.8811   8.8170   1.2030   9.6310   1.2880 -0.8140000 1.762000 
1 1 1  -25   23   14 o   15.750   0.5555   15.830   0.7166   15.670   0.8489 0.1600000 1.111000 
1 1 1  -25   23   15 o   4.8040   1.3140   4.3260   1.7610   5.2820   1.9500 -0.9568000 2.628000 
1 1 1  -25   23   16 o   12.810   0.7575   12.540   1.0330   13.080   1.1080 -0.5376000 1.515000 
1 1 1  -25   23   17 o   6.9870   1.3920   7.7810   1.8260   6.1940   2.1010 1.587000 2.784000 
1 1 1  -25   23   18 o   7.4790   1.3380   5.3030   2.0550   9.6550   1.7150 -4.351000 2.677000 
1 1 1  -25   23   19 o   9.3710   1.1040   8.1720   1.6070   10.570   1.5140 -2.398000 2.208000 
1 1 1  -25   23   20 o   9.8520   0.9635   10.470   1.2370   9.2360   1.4770 1.233000 1.927000 
1 1 1  -25   23   21 o   5.7620   1.3600   5.5500   1.8520   5.9740   1.9920 -0.4240000 2.720000 
1 1 1  -25   23   22 o   14.450   0.6681   14.180   0.9262   14.710   0.9630 -0.5345000 1.336000 
1 1 1  -25   23   23 o   5.4580   1.3570   4.6030   1.8510   6.3140   1.9830 -1.711000 2.713000 
1 1 1  -25   23   24 o   3.5390   1.1420   4.0180   1.7450   3.0610   1.4750 0.9566000 2.285000 
1 1 1  -25   23   25 o   4.4380   1.3290   4.2320   1.8220   4.6440   1.9370 -0.4121000 2.659000 
1 1 1  -25   23   26 o   4.9830   1.3140   5.3130   1.8740   4.6530   1.8420 0.6609000 2.627000 
1 1 1  -25   23   27 o   2.3870   0.8513   2.3260   1.1740   2.4470   1.2330 -0.1212000 1.703000 
1 1 1  -25   23   28 o   1.8670   0.6859   1.7970   0.9363   1.9370   1.0030 -0.1403000 1.372000 
1 1 1  -25   25    1 o   11.860   0.6830   12.400   0.9024   11.320   1.0260 1.071000 1.366000 
1 1 1  -25   25    2 o   17.270   0.4830   17.150   0.6778   17.390   0.6883 -0.2360000 0.9660000 
1 1 1  -25   25    3 o   4.4860   1.1780   5.3560   1.7420   3.6160   1.5860 1.740000 2.356000 
1 1 1  -25   25    4 o   13.250   0.6031   13.970   0.7988   12.520   0.9039 1.450000 1.206000 
1 1 1  -25   25    5 o   14.700   0.5676   15.290   0.7283   14.110   0.8708 1.181000 1.135000 
1 1 1  -25   25    6 o   18.390   0.4764   18.770   0.6285   18.020   0.7161 0.7556000 0.9528000 
1 1 1  -25   25    7 o   31.440   0.3587   32.140   0.4846   30.730   0.5290 1.405000 0.7174000 
1 1 1  -25   25    8 o   29.120   0.3712   29.060   0.5014   29.180   0.5475 -0.1199000 0.7425000 
1 1 1  -25   25    9 o   8.7480   1.1540   9.9890   1.3130   7.5080   1.8970 2.481000 2.307000 
1 1 1  -25   25   10 o   3.5200   1.1370   3.9800   1.7280   3.0600   1.4790 0.9198000 2.275000 
1 1 1  -25   25   11 f   15.770   0.6361   16.370   0.8398   15.170   0.9557 1.198000 1.272000 
1 1 1  -25   25   12 o   9.8270   1.1930   9.3640   1.8860   10.290   1.4600 -0.9248000 2.385000 
1 1 1  -25   25   13 f   5.9120   1.3280   7.3300   1.8570   4.4930   1.8990 2.837000 2.656000 
1 1 1  -25   25   14 o   6.5750   1.3120   8.1960   1.7230   4.9540   1.9800 3.243000 2.625000 
1 1 1  -25   25   15 o   12.330   0.8683   13.100   1.1060   11.560   1.3390 1.534000 1.737000 
1 1 1  -25   25   16 o   5.0300   1.3610   4.7500   1.8050   5.3100   2.0370 -0.5592000 2.722000 
1 1 1  -25   25   17 o   6.3810   1.3100   6.3510   1.8100   6.4120   1.8950 -0.6072000E-01 2.620000 
1 1 1  -25   25   18 o   8.0890   1.1730   8.9560   1.4210   7.2230   1.8670 1.734000 2.346000 
1 1 1  -25   25   19 o   4.3290   1.2490   5.0020   1.8580   3.6560   1.6690 1.346000 2.497000 
1 1 1  -25   25   20 o   7.4820   1.2670   7.3900   1.7980   7.5730   1.7870 -0.1833000 2.535000 
1 1 1  -25   25   21 o   3.3710   1.1080   2.7760   1.3640   3.9650   1.7470 -1.188000 2.216000 
1 1 1  -25   25   22 o   5.9210   1.4420   6.1600   2.0310   5.6830   2.0470 0.4764000 2.884000 
1 1 1  -25   25   23 o   3.7560   1.2130   3.9610   1.7720   3.5510   1.6580 0.4101000 2.427000 
1 1 1  -25   25   24 o   3.2710   1.0820   3.0930   1.4660   3.4490   1.5920 -0.3559000 2.164000 
1 1 1  -25   25   25 o   2.7960   0.9730   2.9340   1.4270   2.6580   1.3230 0.2754000 1.946000 
1 1 1  -25   27    1 o   7.1070   1.3130   6.0780   1.9910   8.1350   1.7110 -2.056000 2.625000 
1 1 1  -25   27    2 o   11.020   0.8878   11.620   1.2100   10.430   1.3000 1.195000 1.776000 
1 1 1  -25   27    3 o   4.9340   1.2020   6.7980   1.9010   3.0700   1.4730 3.728000 2.405000 
1 1 1  -25   27    4 o   12.130   0.8200   10.810   1.2850   13.440   1.0190 -2.632000 1.640000 
1 1 1  -25   27    5 o   5.8950   1.3850   6.2630   1.9140   5.5270   2.0010 0.7361000 2.769000 
1 1 1  -25   27    6 o   6.1560   1.3940   5.5550   1.9480   6.7560   1.9950 -1.201000 2.789000 
1 1 1  -25   27    7 o   6.2900   1.3650   5.0300   1.9150   7.5490   1.9450 -2.518000 2.729000 
1 1 1  -25   27    8 o   6.6410   1.4070   6.3220   1.9540   6.9610   2.0240 -0.6396000 2.813000 
1 1 1  -25   27    9 o   13.530   0.6749   14.270   0.8526   12.790   1.0460 1.474000 1.350000 
1 1 1  -25   27   10 o   5.3040   1.2630   6.2710   1.7740   4.3360   1.7970 1.935000 2.526000 
1 1 1  -25   27   11 o   5.7200   1.2900   4.8150   1.8090   6.6260   1.8380 -1.812000 2.579000 
1 1 1  -25   27   12 o   10.250   0.8844   9.8250   1.2680   10.670   1.2330 -0.8449000 1.769000 
1 1 1  -25   27   13 o   3.6870   1.1660   3.3520   1.5450   4.0220   1.7470 -0.6700000 2.332000 
1 1 1  -25   27   14 o   7.2100   1.2340   6.9610   1.7390   7.4590   1.7520 -0.4979000 2.469000 
1 1 1  -25   27   15 o   3.6350   1.1560   3.6220   1.6230   3.6470   1.6460 -0.2512000E-01 2.312000 
1 1 1  -25   27   16 o   5.2710   1.3140   5.8860   1.8690   4.6560   1.8480 1.230000 2.629000 
1 1 1  -25   27   17 o   4.6800   1.3050   4.6770   1.8380   4.6840   1.8540 -0.6737000E-02 2.610000 
1 1 1  -25   27   18 o   3.8710   1.2380   3.7870   1.7190   3.9550   1.7820 -0.1677000 2.476000 
1 1 1  -25   27   19 o   3.2760   1.1080   3.3230   1.5790   3.2290   1.5550 0.9396000E-01 2.216000 
1 1 1  -25   27   20 o   3.1150   1.0500   3.1420   1.4950   3.0870   1.4740 0.5511000E-01 2.099000 
1 1 1  -25   27   21 o   2.4310   0.8605   2.3430   1.1780   2.5190   1.2550 -0.1760000 1.721000 
1 1 1  -25   27   22 o   3.0210   1.0320   2.8400   1.3860   3.2020   1.5290 -0.3623000 2.064000 
1 1 1  -25   27   23 f   2.7050   0.9856   2.4520   1.2640   2.9590   1.5130 -0.5068000 1.971000 
1 1 1  -25   29    1 f   4.2270   1.2400   4.6320   1.8160   3.8230   1.6900 0.8099000 2.481000 
1 1 1  -25   29    2 o   6.2230   1.2540   4.9590   1.8360   7.4880   1.7080 -2.529000 2.507000 
1 1 1  -25   29    3 o   6.6910   1.2440   5.5710   1.8560   7.8100   1.6590 -2.239000 2.489000 
1 1 1  -25   29    4 o   7.7010   1.1370   5.8780   1.8360   9.5240   1.3430 -3.646000 2.275000 
1 1 1  -25   29    5 o   10.130   0.8817   10.340   1.2010   9.9250   1.2910 0.4108000 1.763000 
1 1 1  -25   29    6 o   10.360   0.8941   11.410   1.0970   9.3180   1.4130 2.090000 1.788000 
1 1 1  -25   29    7 o   10.410   0.8815   10.330   1.2300   10.480   1.2630 -0.1532000 1.763000 
1 1 1  -25   29    8 o   7.1590   1.2510   7.8780   1.6360   6.4410   1.8930 1.438000 2.501000 
1 1 1  -25   29    9 o   15.010   0.6213   15.510   0.8341   14.510   0.9210 1.005000 1.243000 
1 1 1  -25   29   10 o   5.2640   1.3030   4.3670   1.7790   6.1610   1.9040 -1.795000 2.606000 
1 1 1  -25   29   11 o   13.270   0.7606   13.110   0.9948   13.420   1.1510 -0.3197000 1.521000 
1 1 1  -25   29   12 o   5.7100   1.2900   4.4880   1.8100   6.9330   1.8380 -2.446000 2.580000 
1 1 1  -25   29   13 o   10.610   1.0120   10.340   1.4550   10.880   1.4070 -0.5437000 2.024000 
1 1 1  -25   29   14 o   3.9910   1.2450   4.2350   1.7980   3.7460   1.7240 0.4894000 2.490000 
1 1 1  -25   29   15 o   6.5210   1.3910   7.2790   1.8950   5.7630   2.0380 1.516000 2.783000 
1 1 1  -25   29   16 o   4.4870   1.2340   3.4260   1.5660   5.5490   1.9070 -2.123000 2.468000 
1 1 1  -25   29   17 o   4.7050   1.2830   5.0050   1.8320   4.4050   1.7950 0.6000000 2.565000 
1 1 1  -25   29   18 o   3.1920   1.0530   3.5470   1.5920   2.8370   1.3800 0.7104000 2.107000 
1 1 1  -25   29   19 o   2.9760   1.0210   2.5200   1.2580   3.4320   1.6080 -0.9120000 2.041000 
1 1 1  -25   31    1 o   7.4840   1.3920   7.7220   1.8950   7.2460   2.0380 0.4759000 2.783000 
1 1 1  -25   31    2 o   4.5210   1.3340   5.0790   1.9810   3.9630   1.7880 1.116000 2.669000 
1 1 1  -25   31    3 o   4.5390   1.2960   5.6220   2.0120   3.4550   1.6350 2.168000 2.592000 
1 1 1  -25   31    4 o   3.9090   1.2670   3.8040   1.7170   4.0130   1.8630 -0.2087000 2.533000 
1 1 1  -25   31    5 o   3.3750   1.1290   3.3420   1.5820   3.4080   1.6110 -0.6644000E-01 2.258000 
1 1 1  -25   31    6 o   3.3910   1.1320   3.3360   1.5790   3.4460   1.6230 -0.1106000 2.264000 
1 1 1  -25   31    7 o   5.3620   1.3860   6.0440   1.9910   4.6800   1.9270 1.364000 2.771000 
1 1 1  -25   31    8 o   14.720   0.7356   16.050   0.9277   13.390   1.1420 2.660000 1.471000 
1 1 1  -25   31    9 o   10.060   0.9748   9.9010   1.4700   10.230   1.2800 -0.3268000 1.950000 
1 1 1  -25   31   10 o   5.2860   1.1010   7.5760   1.6660   2.9960   1.4380 4.579000 2.201000 
1 1 1  -25   31   11 o   3.7810   1.1760   3.9280   1.6970   3.6330   1.6290 0.2955000 2.353000 
1 1 1  -25   31   12 o   3.8980   1.1850   3.3750   1.5570   4.4220   1.7870 -1.047000 2.370000 
1 1 1  -25   31   13 o   4.2180   1.1320   5.7120   1.8300   2.7250   1.3330 2.987000 2.264000 
1 1 1  -25   31   14 o   4.0780   1.2120   4.1990   1.7320   3.9570   1.6970 0.2412000 2.425000 
1 1 1  -25   31   15 o   2.7980   0.9686   3.3320   1.5590   2.2640   1.1500 1.068000 1.937000 
1 1 1  -25   33    1 o   2.7830   0.9722   2.7420   1.3540   2.8250   1.3950 -0.8333000E-01 1.944000 
1 1 1  -25   33    2 o   2.9360   1.0120   3.5230   1.6370   2.3490   1.1910 1.174000 2.024000 
1 1 1  -25   33    3 o   3.1050   1.0580   3.3510   1.5790   2.8590   1.4090 0.4921000 2.116000 
1 1 1  -25   33    4 o   4.2710   1.2680   5.1280   1.9590   3.4150   1.6110 1.713000 2.536000 
1 1 1  -25   33    5 o   4.2580   1.2900   4.2110   1.8070   4.3050   1.8430 -0.9357000E-01 2.581000 
1 1 1  -25   33    6 o   2.5240   0.8946   2.5150   1.2600   2.5330   1.2710 -0.1825000E-01 1.789000 
1 1 1  -25   33    7 o   2.0890   0.7554   2.1500   1.0960   2.0290   1.0400 0.1210000 1.511000 
1 1 1  -25   33    8 o   2.3530   1.2140  ?   ?    2.3530   1.2140      ?      ? 
1 1 1  -24    0    1 o   53.690   0.4873   53.690   0.4873   53.690   0.4873 0.000000 0.000000 
1 1 1  -24    0    2 o   40.960   0.3805   40.960   0.3805   40.960   0.3805 0.000000 0.000000 
1 1 1  -24    0    3 o   68.920   0.6177   68.920   0.6177   68.920   0.6177 -0.000000 0.000000 
1 1 1  -24    0    4 o   38.490   0.3588   38.490   0.3588   38.490   0.3588 0.000000 0.000000 
1 1 1  -24    0    6 o   38.050   0.5123   38.050   0.5123   38.050   0.5123 -0.000000 0.000000 
1 1 1  -24    0    7 f   38.370   0.3640   38.370   0.3640   38.370   0.3640 -0.000000 0.000000 
1 1 1  -24    0    8 o   10.590   0.3827   10.590   0.3827   10.590   0.3827 -0.000000 0.000000 
1 1 1  -24    0    9 o   42.160   0.3967   42.160   0.3967   42.160   0.3967 0.000000 0.000000 
1 1 1  -24    0   10 o   16.520   0.3209   16.520   0.3209   16.520   0.3209 -0.000000 0.000000 
1 1 1  -24    0   11 o   33.420   0.3457   33.420   0.3457   33.420   0.3457 0.000000 0.000000 
1 1 1  -24    0   13 o   1.5190   1.0530   1.5190   1.0530   1.5190   1.0530 0.000000 0.000000 
1 1 1  -24    0   14 o   53.820   0.5046   53.820   0.5046   53.820   0.5046 0.000000 0.000000 
1 1 1  -24    0   15 o   24.540   0.3759   24.540   0.3759   24.540   0.3759 0.000000 0.000000 
1 1 1  -24    0   16 o   22.220   0.4062   22.220   0.4062   22.220   0.4062 0.000000 0.000000 
1 1 1  -24    0   17 o   47.480   0.4729   47.480   0.4729   47.480   0.4729 -0.000000 0.000000 
1 1 1  -24    0   18 o   21.150   0.4723   21.150   0.4723   21.150   0.4723 -0.000000 0.000000 
1 1 1  -24    0   19 o   84.830   0.7716   84.830   0.7716   84.830   0.7716 -0.000000 0.000000 
1 1 1  -24    0   20 o   1.8310   1.2850   1.8310   1.2850   1.8310   1.2850 -0.000000 0.000000 
1 1 1  -24    0   21 o   17.130   0.7532   17.130   0.7532   17.130   0.7532 -0.000000 0.000000 
1 1 1  -24    0   22 o   38.180   0.4437   38.180   0.4437   38.180   0.4437 0.000000 0.000000 
1 1 1  -24    0   23 o   27.400   0.4401   27.400   0.4401   27.400   0.4401 -0.000000 0.000000 
1 1 1  -24    0   24 o   2.4910   1.5900   2.4910   1.5900   2.4910   1.5900 0.000000 0.000000 
1 1 1  -24    0   25 o   43.860   0.6552   43.860   0.6552   43.860   0.6552 -0.000000 0.000000 
1 1 1  -24    0   26 o   28.510   0.8183   28.510   0.8183   28.510   0.8183 0.000000 0.000000 
1 1 1  -24    0   27 o   35.990   0.6141   35.990   0.6141   35.990   0.6141 -0.000000 0.000000 
1 1 1  -24    0   28 o   3.3420   2.0360   3.3420   2.0360   3.3420   2.0360 0.000000 0.000000 
1 1 1  -24    0   29 o   8.6360   1.6770   8.6360   1.6770   8.6360   1.6770 -0.000000 0.000000 
1 1 1  -24    0   30 o   5.2180   1.9870   5.2180   1.9870   5.2180   1.9870 0.000000 0.000000 
1 1 1  -24    0   31 o   3.1560   1.8760   3.1560   1.8760   3.1560   1.8760 -0.000000 0.000000 
1 1 1  -24    0   32 o   3.8070   2.0780   3.8070   2.0780   3.8070   2.0780 -0.000000 0.000000 
1 1 1  -24    0   33 o   10.580   1.2380   10.580   1.2380   10.580   1.2380 0.000000 0.000000 
1 1 1  -24    0   34 o   3.0660   2.0200   3.0660   2.0200   3.0660   2.0200 -0.000000 0.000000 
1 1 1  -24    0   35 o   3.9970   2.3490   3.9970   2.3490   3.9970   2.3490 -0.000000 0.000000 
1 1 1  -24    0   36 o   2.9620   1.9050   2.9620   1.9050   2.9620   1.9050 -0.000000 0.000000 
1 1 1  -24    0   37 o   1.7500   1.2750   1.7500   1.2750   1.7500   1.2750 -0.000000 0.000000 
1 1 1  -24    2    1 o   23.380   0.2013   22.990   0.2994   23.770   0.2691 -0.7788000 0.4026000 
1 1 1  -24    2    2 o   21.760   0.2041   21.680   0.3027   21.840   0.2738 -0.1637000 0.4081000 
1 1 1  -24    2    3 o   42.930   0.4048   42.950   0.5717   42.910   0.5733 0.3635000E-01 0.8097000 
1 1 1  -24    2    4 o   57.650   0.3988   57.920   0.6064   57.380   0.5183 0.5452000 0.7977000 
1 1 1  -24    2    5 o   24.520   0.2015   24.430   0.3040   24.600   0.2646 -0.1712000 0.4030000 
1 1 1  -24    2    6 f   11.420   0.2222   11.420   0.3248   11.420   0.3032 -0.3539000E-02 0.4443000 
1 1 1  -24    2    7 o   22.120   0.2277   22.260   0.3209   21.980   0.3233 0.2893000 0.4555000 
1 1 1  -24    2    8 o   26.020   0.2660   25.250   0.3347   26.780   0.4136 -1.525000 0.5321000 
1 1 1  -24    2    9 o   45.940   0.3030   45.910   0.4286   45.970   0.4286 -0.5898000E-01 0.6061000 
1 1 1  -24    2   10 o   48.500   0.3194   48.410   0.4516   48.600   0.4519 -0.1900000 0.6389000 
1 1 1  -24    2   11 o   21.380   0.2530   21.160   0.3600   21.610   0.3556 -0.4469000 0.5060000 
1 1 1  -24    2   12 f   22.690   0.3048   23.820   0.3967   21.550   0.4629 2.277000 0.6096000 
1 1 1  -24    2   13 o   54.680   0.4164   54.830   0.5918   54.540   0.5858 0.2842000 0.8327000 
1 1 1  -24    2   14 o  101.800   0.6459  101.600   0.9120  101.900   0.9150 -0.3086000 1.292000 
1 1 1  -24    2   15 o   20.230   0.3210   20.010   0.4469   20.460   0.4610 -0.4558000 0.6420000 
1 1 1  -24    2   16 o   56.750   0.3794   56.610   0.5355   56.890   0.5375 -0.2828000 0.7587000 
1 1 1  -24    2   17 o   18.610   0.3432   18.480   0.4876   18.730   0.4832 -0.2502000 0.6865000 
1 1 1  -24    2   18 o   20.920   0.3303   21.490   0.4617   20.350   0.4725 1.132000 0.6607000 
1 1 1  -24    2   19 o   17.440   0.3870   17.470   0.5437   17.410   0.5510 0.6149000E-01 0.7741000 
1 1 1  -24    2   20 o   9.8420   0.8121   9.1700   1.2650   10.510   1.0180 -1.344000 1.624000 
1 1 1  -24    2   21 o   22.880   0.5639   23.150   0.9299   22.610   0.6382 0.5310000 1.128000 
1 1 1  -24    2   22 o   9.1690   0.8566   9.4120   1.3700   8.9270   1.0290 0.4854000 1.713000 
1 1 1  -24    2   23 o   13.620   0.6066   13.640   1.0080   13.590   0.6745 0.5346000E-01 1.213000 
1 1 1  -24    2   24 o   11.520   0.7292   11.000   1.2520   12.050   0.7479 -1.052000 1.458000 
1 1 1  -24    2   25 o   21.210   0.5301   21.590   0.8859   20.830   0.5823 0.7687000 1.060000 
1 1 1  -24    2   26 o   13.040   0.7455   13.250   1.0000   12.820   1.1060 0.4227000 1.491000 
1 1 1  -24    2   27 o   7.2210   0.8853   6.6670   1.3290   7.7750   1.1700 -1.109000 1.771000 
1 1 1  -24    2   28 o   4.3040   1.1080   3.8930   1.5480   4.7140   1.5850 -0.8209000 2.216000 
1 1 1  -24    2   29 o   14.290   0.5153   14.120   0.6810   14.460   0.7735 -0.3324000 1.031000 
1 1 1  -24    2   30 o   7.2760   1.1780   6.1220   1.5660   8.4300   1.7610 -2.308000 2.357000 
1 1 1  -24    2   31 o   7.4450   1.2170   6.4490   1.5930   8.4410   1.8400 -1.992000 2.434000 
1 1 1  -24    2   32 o   7.3160   1.2360   9.1930   1.2610   5.4380   2.1270 3.755000 2.473000 
1 1 1  -24    2   33 o   8.8500   1.3320   8.8650   1.6250   8.8350   2.1100 0.2990000E-01 2.664000 
1 1 1  -24    2   34 o   3.6410   1.1510   4.3330   1.7900   2.9500   1.4470 1.383000 2.302000 
1 1 1  -24    2   35 o   10.020   0.9507   9.0720   1.4460   10.960   1.2340 -1.887000 1.901000 
1 1 1  -24    2   36 o   6.3320   1.2230   8.2030   1.6260   4.4620   1.8260 3.742000 2.445000 
1 1 1  -24    2   37 o   2.9470   1.0250   2.9450   1.4450   2.9490   1.4540 -0.3494000E-02 2.050000 
1 1 1  -24    4    1 o   31.250   0.2450   31.700   0.3763   30.810   0.3138 0.8946000 0.4900000 
1 1 1  -24    4    2 o   27.010   0.3325   27.130   0.4657   26.890   0.4749 0.2394000 0.6651000 
1 1 1  -24    4    3 o   13.380   0.4386   13.930   0.5876   12.830   0.6512 1.099000 0.8771000 
1 1 1  -24    4    4 o   9.1710   0.6156   8.9590   0.8696   9.3840   0.8717 -0.4243000 1.231000 
1 1 1  -24    4    5 o   43.800   0.3130   43.900   0.4749   43.710   0.4078 0.1955000 0.6259000 
1 1 1  -24    4    6 o   8.1540   0.3250   8.2300   0.4474   8.0780   0.4714 0.1520000 0.6500000 
1 1 1  -24    4    7 o   54.290   0.4070   54.460   0.5763   54.130   0.5749 0.3293000 0.8140000 
1 1 1  -24    4    8 o   64.420   0.4776   64.310   0.6736   64.530   0.6773 -0.2240000 0.9553000 
1 1 1  -24    4    9 o   58.300   0.4340   57.990   0.6118   58.600   0.6158 -0.6058000 0.8680000 
1 1 1  -24    4   10 o   64.690   0.4790   64.960   0.6807   64.420   0.6743 0.5457000 0.9581000 
1 1 1  -24    4   11 o   57.400   0.3744   57.820   0.5336   56.980   0.5252 0.8404000 0.7487000 
1 1 1  -24    4   12 o   26.300   0.2421   26.450   0.3422   26.160   0.3426 0.2876000 0.4842000 
1 1 1  -24    4   13 o   99.230   0.7280   99.460   1.0320   98.990   1.0270 0.4675000 1.456000 
1 1 1  -24    4   14 o   46.400   0.3220   46.330   0.4550   46.480   0.4557 -0.1402000 0.6439000 
1 1 1  -24    4   15 o   45.650   0.3972   45.810   0.6511   45.490   0.4552 0.3225000 0.7944000 
1 1 1  -24    4   16 o   28.550   0.3538   28.440   0.5796   28.660   0.4059 -0.2202000 0.7076000 
1 1 1  -24    4   17 o   39.080   0.3799   39.510   0.6243   38.640   0.4331 0.8636000 0.7598000 
1 1 1  -24    4   18 o   20.700   0.4247   21.020   0.6763   20.380   0.5137 0.6393000 0.8493000 
1 1 1  -24    4   19 o   34.170   0.5043   34.270   0.8786   34.060   0.4954 0.2081000 1.009000 
1 1 1  -24    4   20 o   20.770   0.6185   20.990   1.0870   20.560   0.5907 0.4379000 1.237000 
1 1 1  -24    4   21 f   23.950   0.3739   23.980   0.5201   23.910   0.5373 0.7366000E-01 0.7478000 
1 1 1  -24    4   22 o   14.320   0.5262   14.030   0.7262   14.620   0.7618 -0.5906000 1.052000 
1 1 1  -24    4   23 o   7.4690   0.8942   7.8800   1.1610   7.0570   1.3600 0.8226000 1.788000 
1 1 1  -24    4   24 o   3.9390   1.0940   4.1520   1.5680   3.7260   1.5270 0.4255000 2.189000 
1 1 1  -24    4   25 o   19.240   0.4305   19.630   0.5790   18.850   0.6371 0.7793000 0.8609000 
1 1 1  -24    4   26 o   2.4930   0.8627   2.6160   1.2680   2.3710   1.1700 0.2450000 1.725000 
1 1 1  -24    4   27 o   6.8150   0.9467   6.4430   1.3710   7.1870   1.3060 -0.7441000 1.893000 
1 1 1  -24    4   28 o   4.5830   1.1090   4.8890   1.5660   4.2770   1.5720 0.6120000 2.219000 
1 1 1  -24    4   29 f   11.270   0.6046   10.600   0.8810   11.940   0.8282 -1.338000 1.209000 
1 1 1  -24    4   30 o   4.9630   1.1790   4.9140   1.6480   5.0130   1.6870 -0.9875000E-01 2.358000 
1 1 1  -24    4   31 o   2.4100   0.8386   2.5860   1.2510   2.2350   1.1170 0.3502000 1.677000 
1 1 1  -24    4   32 o   9.6750   0.8949   9.2200   1.3440   10.130   1.1810 -0.9103000 1.790000 
1 1 1  -24    4   33 o   7.2120   1.4630   7.4150   1.8650   7.0100   2.2550 0.4054000 2.926000 
1 1 1  -24    4   34 o   4.6210   1.4930   3.9380   1.7440   5.3040   2.4230 -1.366000 2.986000 
1 1 1  -24    4   35 o   7.1280   1.4410   7.5320   1.6860   6.7240   2.3380 0.8078000 2.882000 
1 1 1  -24    4   36 o   4.8090   1.2300   6.4390   1.8890   3.1800   1.5750 3.259000 2.460000 
1 1 1  -24    4   37 o   2.7500   0.9687   3.0240   1.4790   2.4750   1.2520 0.5491000 1.937000 
1 1 1  -24    6    1 o   70.510   0.5184   70.600   0.7341   70.420   0.7323 0.1839000 1.037000 
1 1 1  -24    6    2 o   38.500   0.3010   38.370   0.4238   38.620   0.4275 -0.2542000 0.6020000 
1 1 1  -24    6    3 o   42.960   0.3292   43.190   0.4672   42.730   0.4639 0.4562000 0.6584000 
1 1 1  -24    6    4 f   30.530   0.2585   30.540   0.3633   30.510   0.3680 0.3338000E-01 0.5171000 
1 1 1  -24    6    5 o   61.200   0.5083   61.470   0.7908   60.940   0.6389 0.5271000 1.017000 
1 1 1  -24    6    6 o   52.570   0.4852   53.060   0.6905   52.070   0.6817 0.9838000 0.9703000 
1 1 1  -24    6    7 o   22.170   0.3055   23.490   0.4244   20.860   0.4396 2.633000 0.6110000 
1 1 1  -24    6    8 o   60.930   0.3951   60.920   0.5588   60.940   0.5588 -0.1358000E-01 0.7902000 
1 1 1  -24    6    9 o   73.640   0.4724   73.740   0.6698   73.540   0.6664 0.1982000 0.9448000 
1 1 1  -24    6   10 o   64.440   0.5140   64.370   0.8407   64.510   0.5916 -0.1427000 1.028000 
1 1 1  -24    6   11 o   75.200   0.5928   75.290   0.9701   75.100   0.6815 0.1896000 1.186000 
1 1 1  -24    6   12 o   24.980   0.3443   24.760   0.5331   25.200   0.4359 -0.4431000 0.6887000 
1 1 1  -24    6   13 f   65.560   0.5552   65.970   0.8652   65.150   0.6961 0.8168000 1.110000 
1 1 1  -24    6   14 f   29.350   0.3461   29.240   0.5648   29.450   0.4001 -0.2095000 0.6922000 
1 1 1  -24    6   15 o   39.580   0.3945   39.600   0.6120   39.560   0.4979 0.3804000E-01 0.7890000 
1 1 1  -24    6   16 o   25.990   0.3073   25.720   0.4366   26.260   0.4324 -0.5403000 0.6145000 
1 1 1  -24    6   17 f   65.100   0.4321   65.260   0.6132   64.940   0.6091 0.3234000 0.8642000 
1 1 1  -24    6   18 o   47.590   0.4008   48.210   0.5740   46.980   0.5594 1.232000 0.8015000 
1 1 1  -24    6   19 o   45.750   0.3947   46.600   0.5665   44.910   0.5497 1.698000 0.7894000 
1 1 1  -24    6   20 o   44.660   0.3372   45.040   0.4791   44.280   0.4746 0.7576000 0.6744000 
1 1 1  -24    6   21 o   19.310   0.4175   18.810   0.5859   19.810   0.5948 -1.001000 0.8349000 
1 1 1  -24    6   22 o   28.210   0.3090   28.020   0.4368   28.400   0.4373 -0.3722000 0.6181000 
1 1 1  -24    6   23 o   19.500   0.3642   19.250   0.5143   19.750   0.5157 -0.4959000 0.7283000 
1 1 1  -24    6   24 f   6.7810   1.1050   7.2640   1.4520   6.2990   1.6650 0.9651000 2.209000 
1 1 1  -24    6   25 o   9.7740   0.6638   10.410   0.8633   9.1340   1.0090 1.280000 1.328000 
1 1 1  -24    6   26 o   12.890   0.6034   14.370   0.7586   11.410   0.9385 2.963000 1.207000 
1 1 1  -24    6   27 o   8.2120   0.8021   8.8430   1.0040   7.5820   1.2520 1.261000 1.604000 
1 1 1  -24    6   28 o   26.770   0.3238   26.580   0.4564   26.960   0.4594 -0.3805000 0.6476000 
1 1 1  -24    6   29 f   10.200   0.6798   10.170   0.9373   10.230   0.9849 -0.6604000E-01 1.360000 
1 1 1  -24    6   30 o   7.9470   0.9457   8.2710   1.2780   7.6230   1.3940 0.6479000 1.891000 
1 1 1  -24    6   31 o   7.8560   1.0150   7.5460   1.4890   8.1670   1.3790 -0.6214000 2.029000 
1 1 1  -24    6   32 o   3.3280   1.1020   3.1940   1.5240   3.4620   1.5930 -0.2680000 2.205000 
1 1 1  -24    6   33 o   4.2790   1.2350   4.7940   1.8230   3.7630   1.6670 1.031000 2.470000 
1 1 1  -24    6   34 o   4.5150   1.3190   3.6840   1.6830   5.3460   2.0300 -1.662000 2.637000 
1 1 1  -24    6   35 o   3.0830   1.0380   3.3870   1.5610   2.7790   1.3680 0.6075000 2.075000 
1 1 1  -24    6   36 o   4.0870   1.2930   3.9870   1.7860   4.1870   1.8690 -0.2002000 2.585000 
1 1 1  -24    6   37 o   2.4230   0.8711   2.4460   1.2360   2.3990   1.2280 0.4778000E-01 1.742000 
1 1 1  -24    8    1 o   19.780   0.3092   20.150   0.4362   19.400   0.4384 0.7564000 0.6184000 
1 1 1  -24    8    2 o   40.980   0.3346   40.490   0.4682   41.460   0.4781 -0.9709000 0.6692000 
1 1 1  -24    8    3 o   48.910   0.5380  ?   ?    48.910   0.5380      ?      ? 
1 1 1  -24    8    4 o   47.360   0.4199   47.150   0.6509   47.570   0.5307 -0.4172000 0.8398000 
1 1 1  -24    8    5 o   57.430   0.4897   57.340   0.7598   57.510   0.6179 -0.1726000 0.9793000 
1 1 1  -24    8    6 o   55.060   0.4489   54.920   0.7346   55.210   0.5162 -0.2934000 0.8978000 
1 1 1  -24    8    7 o   88.280   0.6898   88.040   1.1260   88.520   0.7969 -0.4877000 1.380000 
1 1 1  -24    8    8 o   33.780   0.3381   33.820   0.5581   33.750   0.3817 0.6421000E-01 0.6761000 
1 1 1  -24    8    9 f   33.990   0.3634   34.410   0.5683   33.570   0.4529 0.8410000 0.7267000 
1 1 1  -24    8   10 o  112.900   0.7152  112.900   1.0120  112.800   1.0110 0.1016000 1.430000 
1 1 1  -24    8   11 o   30.370   0.3300   30.800   0.4713   29.940   0.4620 0.8628000 0.6600000 
1 1 1  -24    8   12 o   65.520   0.4988   65.570   0.7075   65.470   0.7033 0.9403000E-01 0.9976000 
1 1 1  -24    8   13 o   42.990   0.3182   42.770   0.4476   43.220   0.4524 -0.4480000 0.6364000 
1 1 1  -24    8   14 o   28.030   0.3032   28.360   0.4222   27.700   0.4354 0.6629000 0.6064000 
1 1 1  -24    8   15 o   38.420   0.3157   38.780   0.4469   38.070   0.4460 0.7136000 0.6314000 
1 1 1  -24    8   16 o   22.550   0.3598   22.850   0.5009   22.250   0.5166 0.5954000 0.7196000 
1 1 1  -24    8   17 o   76.370   0.5777   76.470   0.8187   76.260   0.8154 0.2085000 1.155000 
1 1 1  -24    8   18 o   12.640   0.6017   12.080   0.8602   13.200   0.8416 -1.113000 1.203000 
1 1 1  -24    8   19 o   28.170   0.3258   28.120   0.4557   28.220   0.4657 -0.9987000E-01 0.6515000 
1 1 1  -24    8   20 o   5.4100   1.1580   5.9250   1.5920   4.8940   1.6830 1.031000 2.317000 
1 1 1  -24    8   21 o   27.920   0.3535   28.050   0.4901   27.790   0.5097 0.2543000 0.7071000 
1 1 1  -24    8   22 o   13.550   0.5076   13.270   0.7324   13.840   0.7029 -0.5734000 1.015000 
1 1 1  -24    8   23 o   18.550   0.4484   18.600   0.6157   18.490   0.6521 0.1097000 0.8968000 
1 1 1  -24    8   24 o   27.970   0.3139   28.040   0.4453   27.900   0.4427 0.1451000 0.6278000 
1 1 1  -24    8   25 o   11.850   0.5571   11.010   0.8143   12.700   0.7605 -1.694000 1.114000 
1 1 1  -24    8   26 o   17.130   0.4881   16.470   0.7269   17.790   0.6516 -1.313000 0.9762000 
1 1 1  -24    8   27 o   5.4230   1.1250   4.7660   1.6040   6.0790   1.5780 -1.313000 2.250000 
1 1 1  -24    8   28 o   13.430   0.5219   13.840   0.6957   13.020   0.7782 0.8235000 1.044000 
1 1 1  -24    8   29 o   12.660   0.5767   12.880   0.7646   12.430   0.8636 0.4439000 1.153000 
1 1 1  -24    8   30 o   15.840   0.5028   15.000   0.7366   16.670   0.6844 -1.673000 1.006000 
1 1 1  -24    8   31 o   6.3010   1.3340   6.9870   1.8950   5.6150   1.8790 1.372000 2.669000 
1 1 1  -24    8   32 o   6.1040   1.3320   7.4950   1.8760   4.7140   1.8920 2.780000 2.665000 
1 1 1  -24    8   33 o   9.2220   1.0970   10.090   1.2670   8.3510   1.7920 1.742000 2.194000 
1 1 1  -24    8   34 o   10.630   1.0450   12.840   1.1270   8.4220   1.7610 4.419000 2.091000 
1 1 1  -24    8   35 o   4.1530   1.2140   3.3400   1.5530   4.9650   1.8650 -1.626000 2.427000 
1 1 1  -24    8   36 o   2.8110   0.9824   2.9260   1.4330   2.6950   1.3440 0.2310000 1.965000 
1 1 1  -24   10    1 o   17.090   0.4565   16.570   0.7348   17.600   0.5419 -1.032000 0.9130000 
1 1 1  -24   10    2 o   66.470   0.4670   66.720   0.7093   66.220   0.6077 0.4987000 0.9341000 
1 1 1  -24   10    3 o   43.880   0.3088   44.210   0.4389   43.560   0.4346 0.6438000 0.6177000 
1 1 1  -24   10    4 o   67.310   0.4366   67.070   0.6151   67.550   0.6197 -0.4796000 0.8732000 
1 1 1  -24   10    5 o   84.860   0.5421   84.820   0.7662   84.910   0.7671 -0.8402000E-01 1.084000 
1 1 1  -24   10    6 o   79.380   0.5100   80.300   0.7290   78.450   0.7133 1.854000 1.020000 
1 1 1  -24   10    7 o   73.450   0.4747   73.480   0.6713   73.430   0.6715 0.4559000E-01 0.9495000 
1 1 1  -24   10    8 o   52.330   0.3589   52.050   0.5052   52.620   0.5100 -0.5755000 0.7179000 
1 1 1  -24   10    9 o   29.960   0.3363   31.560   0.4691   28.360   0.4820 3.198000 0.6725000 
1 1 1  -24   10   10 f   50.150   0.4610   50.810   0.7225   49.480   0.5729 1.327000 0.9221000 
1 1 1  -24   10   11 o   39.670   0.3685   39.240   0.5233   40.100   0.5190 -0.8655000 0.7370000 
1 1 1  -24   10   12 o   16.670   0.4258   16.870   0.5811   16.470   0.6226 0.3938000 0.8516000 
1 1 1  -24   10   13 o   30.180   0.3144   30.130   0.4395   30.240   0.4498 -0.1134000 0.6288000 
1 1 1  -24   10   14 o   25.810   0.3455   25.820   0.4810   25.800   0.4962 0.2299000E-01 0.6911000 
1 1 1  -24   10   15 o   21.060   0.4509   21.150   0.6180   20.970   0.6569 0.1753000 0.9019000 
1 1 1  -24   10   16 o   36.710   0.3814   36.680   0.5331   36.740   0.5455 -0.5749000E-01 0.7627000 
1 1 1  -24   10   17 o   4.9570   1.1970   5.5770   1.6840   4.3370   1.7020 1.240000 2.394000 
1 1 1  -24   10   18 o   20.420   0.3959   20.590   0.5441   20.260   0.5753 0.3356000 0.7918000 
1 1 1  -24   10   19 o   35.760   0.3238   36.190   0.4532   35.340   0.4625 0.8532000 0.6476000 
1 1 1  -24   10   20 o   15.520   0.5054   16.370   0.6572   14.670   0.7679 1.700000 1.011000 
1 1 1  -24   10   21 o   29.070   0.3978   28.940   0.5841   29.200   0.5403 -0.2666000 0.7957000 
1 1 1  -24   10   22 o   21.780   0.4085   21.650   0.5711   21.900   0.5841 -0.2512000 0.8169000 
1 1 1  -24   10   23 o   8.8410   0.7706   9.0750   1.0250   8.6070   1.1510 0.4672000 1.541000 
1 1 1  -24   10   24 o   29.140   0.3170   29.100   0.4494   29.190   0.4473 -0.9869000E-01 0.6340000 
1 1 1  -24   10   25 o   7.4340   1.0860   6.1740   1.7660   8.6930   1.2640 -2.519000 2.172000 
1 1 1  -24   10   26 f   10.480   0.6790   9.4300   1.0290   11.540   0.8862 -2.106000 1.358000 
1 1 1  -24   10   27 f   16.340   0.4461   16.890   0.6000   15.780   0.6603 1.109000 0.8922000 
1 1 1  -24   10   28 o   4.8150   1.1750   4.9450   1.6250   4.6840   1.6970 0.2605000 2.350000 
1 1 1  -24   10   29 o   4.2360   1.1670   3.9360   1.6080   4.5360   1.6930 -0.5994000 2.335000 
1 1 1  -24   10   30 o   5.5010   1.3130   6.4440   1.9080   4.5590   1.8050 1.884000 2.627000 
1 1 1  -24   10   31 o   5.3780   1.3740   5.9810   1.9710   4.7760   1.9160 1.205000 2.749000 
1 1 1  -24   10   32 o   2.9430   0.9970   3.1330   1.4680   2.7520   1.3490 0.3812000 1.994000 
1 1 1  -24   10   33 o   5.2210   1.3860   5.4490   1.9550   4.9940   1.9650 0.4547000 2.772000 
1 1 1  -24   10   34 o   4.4990   1.2890   4.1120   1.7450   4.8850   1.8990 -0.7729000 2.579000 
1 1 1  -24   10   35 o   8.7890   1.2570   9.6870   1.5570   7.8910   1.9740 1.797000 2.515000 
1 1 1  -24   10   36 o   2.7190   0.9419   2.6060   1.2900   2.8320   1.3730 -0.2254000 1.884000 
1 1 1  -24   12    1 o   44.400   0.3458   44.230   0.5201   44.570   0.4560 -0.3378000 0.6917000 
1 1 1  -24   12    2 o   19.220   0.4059   19.970   0.5609   18.470   0.5870 1.497000 0.8119000 
1 1 1  -24   12    3 o   11.290   0.5315   10.990   0.7614   11.600   0.7418 -0.6138000 1.063000 
1 1 1  -24   12    4 o   18.970   0.3847   19.600   0.4747   18.330   0.6055 1.270000 0.7694000 
1 1 1  -24   12    5 o   35.610   0.3008   35.200   0.4179   36.020   0.4327 -0.8205000 0.6016000 
1 1 1  -24   12    6 o   39.660   0.4105   38.730   0.5096   40.590   0.6436 -1.867000 0.8209000 
1 1 1  -24   12    7 o   53.850   0.4325   53.330   0.6052   54.370   0.6181 -1.042000 0.8650000 
1 1 1  -24   12    8 o   27.660   0.3701   27.780   0.5017   27.550   0.5443 0.2319000 0.7402000 
1 1 1  -24   12    9 o   31.950   0.3168   32.010   0.4357   31.890   0.4600 0.1285000 0.6336000 
1 1 1  -24   12   10 o   47.890   0.3533   48.020   0.4964   47.770   0.5028 0.2427000 0.7066000 
1 1 1  -24   12   11 o   15.740   0.4961   16.340   0.6627   15.140   0.7385 1.193000 0.9923000 
1 1 1  -24   12   12 o   38.810   0.3865   39.210   0.5458   38.400   0.5476 0.8078000 0.7731000 
1 1 1  -24   12   13 o   8.0090   1.1840   7.7870   1.6630   8.2310   1.6850 -0.4441000 2.367000 
1 1 1  -24   12   14 o   16.030   0.5747   16.510   0.6968   15.550   0.9142 0.9664000 1.149000 
1 1 1  -24   12   15 o   16.740   0.4923   16.700   0.6765   16.770   0.7155 -0.6577000E-01 0.9847000 
1 1 1  -24   12   16 o   19.460   0.4305   19.490   0.5799   19.420   0.6364 0.6569000E-01 0.8610000 
1 1 1  -24   12   17 o   20.090   0.4069   19.150   0.5793   21.030   0.5717 -1.876000 0.8139000 
1 1 1  -24   12   18 o   30.250   0.3317   30.540   0.4590   29.950   0.4791 0.5884000 0.6635000 
1 1 1  -24   12   19 o   29.990   0.3679   30.170   0.5164   29.810   0.5241 0.3655000 0.7358000 
1 1 1  -24   12   20 o   6.3130   1.3110   6.5010   1.7480   6.1250   1.9530 0.3761000 2.621000 
1 1 1  -24   12   21 o   23.110   0.3532   23.520   0.4901   22.710   0.5088 0.8062000 0.7064000 
1 1 1  -24   12   22 o   30.260   0.3246   30.540   0.4542   29.970   0.4639 0.5734000 0.6492000 
1 1 1  -24   12   23 o   14.770   0.4695   14.730   0.6480   14.810   0.6796 -0.7694000E-01 0.9390000 
1 1 1  -24   12   24 o   13.020   0.6325   13.130   0.9069   12.910   0.8821 0.2177000 1.265000 
1 1 1  -24   12   25 o   7.5180   1.0860   9.1790   1.2870   5.8570   1.7480 3.322000 2.171000 
1 1 1  -24   12   26 o   15.800   0.4658   16.440   0.6105   15.160   0.7036 1.283000 0.9316000 
1 1 1  -24   12   27 o   8.1070   0.9280   9.0430   1.1270   7.1700   1.4750 1.873000 1.856000 
1 1 1  -24   12   28 o   20.530   0.4134   20.330   0.5714   20.720   0.5977 -0.3886000 0.8269000 
1 1 1  -24   12   29 o   16.020   0.6214   16.040   0.8466   16.000   0.9098 0.4365000E-01 1.243000 
1 1 1  -24   12   30 o   18.780   0.5708   18.950   0.7929   18.620   0.8212 0.3303000 1.142000 
1 1 1  -24   12   31 o   15.570   0.5956   16.610   0.7430   14.530   0.9312 2.086000 1.191000 
1 1 1  -24   12   32 o   9.3730   1.0560   11.170   1.1070   7.5770   1.7980 3.592000 2.112000 
1 1 1  -24   12   33 o   4.0820   1.2540   3.1200   1.4960   5.0440   2.0130 -1.924000 2.508000 
1 1 1  -24   12   34 o   4.5920   1.3430   5.4730   2.0150   3.7110   1.7770 1.761000 2.686000 
1 1 1  -24   12   35 o   3.6620   1.1810   4.0650   1.7410   3.2580   1.5950 0.8070000 2.362000 
1 1 1  -24   14    1 o   64.750   0.4327   64.620   0.6090   64.880   0.6148 -0.2586000 0.8654000 
1 1 1  -24   14    2 o   78.700   0.5116   78.470   0.7206   78.920   0.7264 -0.4462000 1.023000 
1 1 1  -24   14    3 o   45.220   0.3400   45.600   0.4787   44.850   0.4830 0.7514000 0.6800000 
1 1 1  -24   14    4 o   31.280   0.3183   31.660   0.4438   30.900   0.4563 0.7562000 0.6365000 
1 1 1  -24   14    5 o   37.550   0.3528   36.590   0.4481   38.500   0.5451 -1.907000 0.7057000 
1 1 1  -24   14    6 o   68.070   0.5215   67.880   0.7328   68.250   0.7422 -0.3772000 1.043000 
1 1 1  -24   14    7 o   61.890   0.4844   61.650   0.6782   62.140   0.6918 -0.4952000 0.9688000 
1 1 1  -24   14    8 o   26.940   0.4025   27.030   0.5437   26.850   0.5935 0.1781000 0.8049000 
1 1 1  -24   14    9 o   62.180   0.4892   62.350   0.6880   62.010   0.6957 0.3431000 0.9784000 
1 1 1  -24   14   10 o   76.400   0.5815   76.320   0.8204   76.480   0.8242 -0.1616000 1.163000 
1 1 1  -24   14   11 o   23.110   0.4073   23.160   0.5652   23.060   0.5865 0.9978000E-01 0.8146000 
1 1 1  -24   14   12 o   9.4440   0.9019   10.060   1.1390   8.8270   1.3990 1.235000 1.804000 
1 1 1  -24   14   13 o   12.590   0.6858   13.500   0.8575   11.690   1.0710 1.814000 1.372000 
1 1 1  -24   14   14 o   42.670   0.3503   42.690   0.4923   42.650   0.4984 0.3717000E-01 0.7005000 
1 1 1  -24   14   15 o   37.920   0.3402   37.580   0.4747   38.260   0.4874 -0.6770000 0.6804000 
1 1 1  -24   14   16 o   29.410   0.3655   29.560   0.5331   29.260   0.5001 0.2961000 0.7309000 
1 1 1  -24   14   17 o   4.1300   1.2210   4.1730   1.7000   4.0870   1.7520 0.8654000E-01 2.442000 
1 1 1  -24   14   18 o   15.760   0.6393   16.540   0.8032   14.980   0.9948 1.559000 1.279000 
1 1 1  -24   14   19 o   10.110   0.7393   9.2770   1.1210   10.950   0.9641 -1.676000 1.479000 
1 1 1  -24   14   20 o   16.600   0.4483   16.050   0.6290   17.150   0.6389 -1.098000 0.8966000 
1 1 1  -24   14   21 o   4.1900   1.1490   4.3640   1.6230   4.0150   1.6280 0.3487000 2.299000 
1 1 1  -24   14   22 f   18.920   0.3982   19.000   0.5389   18.840   0.5863 0.1636000 0.7963000 
1 1 1  -24   14   23 o   7.4670   1.1150   7.3040   1.5970   7.6290   1.5570 -0.3250000 2.230000 
1 1 1  -24   14   24 o   6.2150   1.2590   5.9820   1.8080   6.4480   1.7520 -0.4660000 2.518000 
1 1 1  -24   14   25 o   19.680   0.4087   20.210   0.5499   19.150   0.6049 1.059000 0.8175000 
1 1 1  -24   14   26 o   14.920   0.5270   15.420   0.6858   14.430   0.8004 0.9881000 1.054000 
1 1 1  -24   14   27 o   8.6720   0.9442   7.6440   1.4690   9.6990   1.1860 -2.055000 1.888000 
1 1 1  -24   14   28 o   6.8380   1.3160   5.7250   1.9100   7.9510   1.8100 -2.226000 2.632000 
1 1 1  -24   14   29 o   9.6730   0.9489   10.370   1.1440   8.9730   1.5140 1.400000 1.898000 
1 1 1  -24   14   30 o   15.740   0.6729   16.740   0.7617   14.750   1.1090 1.988000 1.346000 
1 1 1  -24   14   31 o   6.3450   1.4740   5.8720   1.8380   6.8180   2.3040 -0.9455000 2.947000 
1 1 1  -24   14   32 o   4.4430   1.3510   3.4380   1.6110   5.4480   2.1710 -2.010000 2.703000 
1 1 1  -24   14   33 f   3.2010   1.1250   3.0610   1.4940   3.3400   1.6820 -0.2793000 2.250000 
1 1 1  -24   14   34 o   2.9340   0.9991   2.9300   1.4100   2.9380   1.4160 -0.8108000E-02 1.998000 
1 1 1  -24   16    1 o   40.870   0.3713   41.510   0.4816   40.230   0.5653 1.283000 0.7426000 
1 1 1  -24   16    2 o   15.610   0.5865   16.100   0.8688   15.130   0.7882 0.9726000 1.173000 
1 1 1  -24   16    3 o   58.660   0.5048   57.390   0.5645   59.930   0.8371 -2.537000 1.010000 
1 1 1  -24   16    4 o   43.000   0.3449   42.880   0.4856   43.120   0.4901 -0.2361000 0.6899000 
1 1 1  -24   16    5 o   34.290   0.3408   34.460   0.4704   34.130   0.4932 0.3338000 0.6815000 
1 1 1  -24   16    6 o   13.420   0.6377   13.160   0.8719   13.690   0.9309 -0.5229000 1.275000 
1 1 1  -24   16    7 o   39.680   0.3754   38.950   0.4790   40.400   0.5782 -1.444000 0.7509000 
1 1 1  -24   16    8 o   28.050   0.3707   28.780   0.4972   27.330   0.5499 1.443000 0.7414000 
1 1 1  -24   16    9 o   37.270   0.3439   37.630   0.4760   36.910   0.4963 0.7275000 0.6877000 
1 1 1  -24   16   10 f   55.020   0.3939   55.320   0.5539   54.720   0.5601 0.6008000 0.7877000 
1 1 1  -24   16   11 f   29.110   0.3549   29.420   0.4787   28.790   0.5242 0.6370000 0.7099000 
1 1 1  -24   16   12 f   32.380   0.4079   33.350   0.5509   31.420   0.6016 1.938000 0.8157000 
1 1 1  -24   16   13 o   6.7730   1.2210   6.9400   1.6620   6.6050   1.7900 0.3353000 2.443000 
1 1 1  -24   16   14 o   28.360   0.4153   29.330   0.5646   27.380   0.6092 1.947000 0.8306000 
1 1 1  -24   16   15 o   7.7110   1.2060   7.9290   1.5990   7.4920   1.8060 0.4375000 2.412000 
1 1 1  -24   16   16 o   19.590   0.5543   19.790   0.7437   19.400   0.8221 0.3832000 1.109000 
1 1 1  -24   16   17 o   21.210   0.4356   20.580   0.6091   21.840   0.6230 -1.257000 0.8713000 
1 1 1  -24   16   18 o   3.7600   1.1160   4.1190   1.6340   3.4020   1.5200 0.7169000 2.232000 
1 1 1  -24   16   19 o   31.060   0.3289   30.550   0.4571   31.570   0.4731 -1.013000 0.6579000 
1 1 1  -24   16   20 o   23.240   0.3663   23.710   0.5009   22.770   0.5345 0.9318000 0.7325000 
1 1 1  -24   16   21 o   8.6160   0.8689   8.0090   1.2600   9.2230   1.1960 -1.214000 1.738000 
1 1 1  -24   16   22 o   8.5360   1.0180   7.7620   1.5480   9.3110   1.3220 -1.548000 2.035000 
1 1 1  -24   16   23 o   30.030   0.4023   30.570   0.5770   29.490   0.5607 1.075000 0.8045000 
1 1 1  -24   16   24 o   5.9900   1.1310   7.4060   1.4360   4.5730   1.7470 2.833000 2.261000 
1 1 1  -24   16   25 o   18.090   0.4694   17.710   0.6518   18.470   0.6755 -0.7623000 0.9387000 
1 1 1  -24   16   26 o   11.720   0.9719   12.050   1.1520   11.380   1.5660 0.6766000 1.944000 
1 1 1  -24   16   27 o   5.2940   1.4910   5.6540   1.9420   4.9340   2.2630 0.7202000 2.982000 
1 1 1  -24   16   28 o   4.4480   1.3340   4.0500   1.6800   4.8470   2.0730 -0.7973000 2.669000 
1 1 1  -24   16   29 o   4.5210   1.2370   5.7090   1.8610   3.3330   1.6300 2.376000 2.474000 
1 1 1  -24   16   30 o   17.920   0.5490   18.190   0.7186   17.650   0.8302 0.5394000 1.098000 
1 1 1  -24   16   31 o   6.9410   1.5820   7.2100   2.1340   6.6710   2.3370 0.5397000 3.164000 
1 1 1  -24   16   32 o   3.7920   1.2200   4.3600   1.8800   3.2230   1.5560 1.137000 2.440000 
1 1 1  -24   16   33 o   3.2460   1.0680   2.7900   1.3620   3.7030   1.6450 -0.9133000 2.136000 
1 1 1  -24   18    1 o   16.830   0.5075   17.210   0.7021   16.450   0.7331 0.7583000 1.015000 
1 1 1  -24   18    2 o   8.1280   1.0560   5.6290   1.7920   10.630   1.1170 -4.999000 2.112000 
1 1 1  -24   18    3 o   37.630   0.3406   37.500   0.4796   37.770   0.4836 -0.2733000 0.6811000 
1 1 1  -24   18    4 o   31.390   0.3670   31.410   0.4835   31.380   0.5523 0.2903000E-01 0.7341000 
1 1 1  -24   18    5 o   23.490   0.4010   23.610   0.5431   23.380   0.5902 0.2303000 0.8021000 
1 1 1  -24   18    6 o   32.880   0.3500   33.340   0.4794   32.420   0.5100 0.9189000 0.6999000 
1 1 1  -24   18    7 o   19.380   0.4661   18.930   0.6394   19.830   0.6782 -0.9052000 0.9321000 
1 1 1  -24   18    8 o   34.260   0.3442   34.260   0.4736   34.270   0.4996 -0.6413000E-02 0.6884000 
1 1 1  -24   18    9 o   4.8390   1.2720   4.6790   1.7410   5.0000   1.8560 -0.3207000 2.545000 
1 1 1  -24   18   10 o   24.050   0.4454   24.080   0.5861   24.030   0.6707 0.5202000E-01 0.8907000 
1 1 1  -24   18   11 o   27.670   0.4160   27.670   0.5467   27.670   0.6271 0.3841000E-02 0.8320000 
1 1 1  -24   18   12 o   6.3820   1.3230   6.4110   1.7560   6.3520   1.9800 0.5957000E-01 2.646000 
1 1 1  -24   18   13 o   32.520   0.3867   32.010   0.5393   33.030   0.5543 -1.023000 0.7734000 
1 1 1  -24   18   14 o   19.370   0.4807   19.250   0.6730   19.490   0.6867 -0.2323000 0.9614000 
1 1 1  -24   18   15 o   20.570   0.4593   20.040   0.6475   21.110   0.6515 -1.069000 0.9185000 
1 1 1  -24   18   16 o   5.7710   1.1980   5.3490   1.7070   6.1920   1.6800 -0.8436000 2.395000 
1 1 1  -24   18   17 o   16.010   0.4915   16.210   0.6614   15.820   0.7272 0.3900000 0.9830000 
1 1 1  -24   18   18 o   18.270   0.4448   18.110   0.6064   18.420   0.6509 -0.3082000 0.8896000 
1 1 1  -24   18   19 o   7.5560   1.0200   6.8290   1.5010   8.2830   1.3810 -1.454000 2.040000 
1 1 1  -24   18   20 o   21.620   0.3997   21.600   0.5557   21.640   0.5747 -0.3871000E-01 0.7994000 
1 1 1  -24   18   21 o   6.9180   1.2460   6.2410   1.8210   7.5940   1.7020 -1.353000 2.493000 
1 1 1  -24   18   22 o   5.6950   1.3320   5.3530   1.7190   6.0380   2.0360 -0.6847000 2.664000 
1 1 1  -24   18   23 o   5.3940   1.1680   6.9340   1.5560   3.8530   1.7430 3.081000 2.337000 
1 1 1  -24   18   24 o   14.830   0.9256   14.320   0.9783   15.330   1.5710 -1.008000 1.851000 
1 1 1  -24   18   25 o   10.690   1.2500   12.560   1.1100   8.8210   2.2400 3.735000 2.500000 
1 1 1  -24   18   26 o   12.660   0.7125   12.230   0.9678   13.080   1.0460 -0.8520000 1.425000 
1 1 1  -24   18   27 o   8.4890   1.1450   10.600   1.1830   6.3780   1.9600 4.220000 2.289000 
1 1 1  -24   18   28 o   3.4910   1.1240   3.8900   1.6910   3.0920   1.4830 0.7979000 2.249000 
1 1 1  -24   18   29 o   5.6760   1.3380   6.4760   1.8860   4.8760   1.8990 1.600000 2.677000 
1 1 1  -24   18   30 o   16.710   0.8322   19.170   0.9464   14.240   1.3690 4.928000 1.664000 
1 1 1  -24   18   31 o   3.7390   1.1810   3.1830   1.5360   4.2950   1.7930 -1.112000 2.361000 
1 1 1  -24   18   32 o   2.4040   0.8505   2.2490   1.1340   2.5590   1.2680 -0.3097000 1.701000 
1 1 1  -24   20    1 o   12.530   0.7447   11.990   1.0570   13.070   1.0500 -1.086000 1.489000 
1 1 1  -24   20    2 o   10.230   0.8995   11.140   1.1010   9.3260   1.4230 1.811000 1.799000 
1 1 1  -24   20    3 o   11.700   0.7641   11.640   1.0460   11.750   1.1140 -0.1085000 1.528000 
1 1 1  -24   20    4 o   15.480   0.5810   15.180   0.8166   15.780   0.8267 -0.6029000 1.162000 
1 1 1  -24   20    5 o   41.350   0.3974   41.740   0.5459   40.960   0.5776 0.7732000 0.7947000 
1 1 1  -24   20    6 o   30.300   0.3501   30.530   0.4770   30.070   0.5127 0.4580000 0.7002000 
1 1 1  -24   20    7 o   8.3690   1.0060   7.2550   1.5270   9.4840   1.3100 -2.230000 2.012000 
1 1 1  -24   20    8 o   42.390   0.3481   42.750   0.4846   42.030   0.4999 0.7262000 0.6962000 
1 1 1  -24   20    9 o   27.960   0.4118   28.090   0.5703   27.830   0.5941 0.2527000 0.8236000 
1 1 1  -24   20   10 o   19.810   0.4832   19.430   0.6734   20.190   0.6932 -0.7548000 0.9665000 
1 1 1  -24   20   11 o   19.980   0.4833   20.570   0.6456   19.400   0.7192 1.163000 0.9665000 
1 1 1  -24   20   12 o   3.6550   1.1350   3.6120   1.5960   3.6980   1.6140 -0.8652000E-01 2.269000 
1 1 1  -24   20   13 o   8.4250   0.9358   8.9310   1.1320   7.9200   1.4900 1.011000 1.872000 
1 1 1  -24   20   14 o   6.1830   1.1520   6.7150   1.4660   5.6500   1.7780 1.065000 2.304000 
1 1 1  -24   20   15 o   6.2890   1.1820   5.9590   1.6520   6.6200   1.6920 -0.6612000 2.365000 
1 1 1  -24   20   16 o   19.860   0.5138   21.100   0.5711   18.630   0.8543 2.477000 1.028000 
1 1 1  -24   20   17 o   19.230   0.5167   19.030   0.6159   19.440   0.8298 -0.4095000 1.033000 
1 1 1  -24   20   18 o   20.420   0.5031   20.170   0.5959   20.660   0.8107 -0.4953000 1.006000 
1 1 1  -24   20   19 o   6.2980   1.3920   6.4340   1.8440   6.1620   2.0860 0.2721000 2.784000 
1 1 1  -24   20   20 f   17.200   0.5974   17.390   0.7038   17.020   0.9655 0.3726000 1.195000 
1 1 1  -24   20   21 o   11.710   0.7561   9.8850   1.1790   13.540   0.9473 -3.655000 1.512000 
1 1 1  -24   20   22 o   8.5580   1.2830   9.6540   1.6200   7.4620   1.9910 2.192000 2.567000 
1 1 1  -24   20   23 o   10.750   1.0740   8.1920   1.8180   13.300   1.1450 -5.108000 2.148000 
1 1 1  -24   20   24 o   12.540   0.7238   12.440   0.9732   12.630   1.0720 -0.1927000 1.448000 
1 1 1  -24   20   25 o   3.2640   1.0870   3.2790   1.5260   3.2480   1.5480 0.3097000E-01 2.174000 
1 1 1  -24   20   26 o   10.750   0.8791   10.400   1.2490   11.100   1.2380 -0.7018000 1.758000 
1 1 1  -24   20   27 o   4.9320   1.3120   4.4520   1.8010   5.4120   1.9080 -0.9597000 2.623000 
1 1 1  -24   20   28 o   6.1160   1.1440   8.9650   1.6640   3.2660   1.5710 5.698000 2.288000 
1 1 1  -24   20   29 o   4.4170   1.3280   4.5950   1.8960   4.2390   1.8600 0.3562000 2.656000 
1 1 1  -24   20   30 o   3.7620   1.1770   3.6860   1.6300   3.8370   1.6980 -0.1519000 2.354000 
1 1 1  -24   22    1 o   8.3730   0.9279   9.0230   1.1810   7.7220   1.4310 1.302000 1.856000 
1 1 1  -24   22    2 o   13.870   0.5588   14.470   0.7452   13.260   0.8328 1.203000 1.118000 
1 1 1  -24   22    3 o   13.370   0.6300   12.500   1.0020   14.240   0.7637 -1.739000 1.260000 
1 1 1  -24   22    4 o   14.240   0.6004   13.490   0.9468   14.980   0.7386 -1.484000 1.201000 
1 1 1  -24   22    5 o   20.990   0.4105   20.400   0.5673   21.570   0.5934 -1.173000 0.8209000 
1 1 1  -24   22    6 o   31.630   0.3370   31.230   0.4618   32.040   0.4910 -0.8088000 0.6740000 
1 1 1  -24   22    7 o   16.800   0.4921   17.770   0.6213   15.820   0.7634 1.953000 0.9843000 
1 1 1  -24   22    8 o   9.6220   0.8090   9.4890   1.0780   9.7560   1.2060 -0.2670000 1.618000 
1 1 1  -24   22    9 o   14.360   0.6016   14.310   0.7499   14.420   0.9410 -0.1102000 1.203000 
1 1 1  -24   22   10 o   12.340   0.7788   12.630   0.8299   12.040   1.3180 0.5934000 1.558000 
1 1 1  -24   22   11 o   27.430   0.4284   27.400   0.4800   27.460   0.7097 -0.6685000E-01 0.8567000 
1 1 1  -24   22   12 o   17.830   0.5398   17.860   0.5997   17.790   0.8977 0.6958000E-01 1.080000 
1 1 1  -24   22   13 o   7.2440   1.2580   6.7590   1.5440   7.7280   1.9870 -0.9684000 2.516000 
1 1 1  -24   22   14 o   19.250   0.5166   19.680   0.5840   18.810   0.8524 0.8684000 1.033000 
1 1 1  -24   22   15 o   6.3480   1.1820   5.6840   1.6540   7.0110   1.6880 -1.327000 2.363000 
1 1 1  -24   22   16 o   4.1020   1.2200   3.7300   1.6240   4.4730   1.8210 -0.7435000 2.440000 
1 1 1  -24   22   17 f   18.780   0.5446   17.630   0.7954   19.930   0.7443 -2.301000 1.089000 
1 1 1  -24   22   18 o   4.0420   1.1460   2.6500   1.2940   5.4340   1.8920 -2.784000 2.292000 
1 1 1  -24   22   19 o   13.180   0.8387   13.590   1.1600   12.780   1.2120 0.8153000 1.677000 
1 1 1  -24   22   20 o   6.0990   1.4450   5.2270   2.0380   6.9710   2.0500 -1.744000 2.891000 
1 1 1  -24   22   21 o   4.2090   1.2290   4.8120   1.8300   3.6050   1.6420 1.207000 2.458000 
1 1 1  -24   22   22 o   4.9360   1.2850   3.8820   1.6870   5.9890   1.9380 -2.108000 2.569000 
1 1 1  -24   22   23 o   12.020   0.8120   12.120   1.0890   11.920   1.2050 0.1933000 1.624000 
1 1 1  -24   22   24 o   5.4990   1.2600   3.9770   1.7300   7.0200   1.8310 -3.042000 2.519000 
1 1 1  -24   22   25 o   5.5060   1.3430   5.4750   1.8880   5.5370   1.9110 -0.6195000E-01 2.687000 
1 1 1  -24   22   26 o   5.0820   1.3830   5.6440   1.9960   4.5190   1.9140 1.125000 2.765000 
1 1 1  -24   22   27 f   4.2440   1.2540   5.2490   1.9710   3.2390   1.5520 2.010000 2.508000 
1 1 1  -24   22   28 o   2.5360   0.8969   2.4050   1.2100   2.6660   1.3250 -0.2618000 1.794000 
1 1 1  -24   22   29 f   2.7890   0.9822   2.9860   1.4560   2.5920   1.3180 0.3944000 1.964000 
1 1 1  -24   24    1 o   4.4060   1.1990   5.0870   1.7130   3.7250   1.6790 1.362000 2.398000 
1 1 1  -24   24    2 o   19.390   0.5477   19.620   0.5850   19.150   0.9260 0.4665000 1.095000 
1 1 1  -24   24    3 o   18.230   0.5726   18.570   0.6083   17.890   0.9703 0.6812000 1.145000 
1 1 1  -24   24    4 o   4.0840   1.2510   3.4480   1.5270   4.7210   1.9830 -1.273000 2.503000 
1 1 1  -24   24    5 o   14.740   0.6925   15.250   0.7182   14.230   1.1840 1.025000 1.385000 
1 1 1  -24   24    6 o   9.6440   1.0790   10.520   1.0150   8.7690   1.9050 1.749000 2.158000 
1 1 1  -24   24    7 o   8.2250   1.1940   8.2120   1.3180   8.2390   1.9920 -0.2689000E-01 2.389000 
1 1 1  -24   24    8 o   7.9430   1.1410   7.7090   1.4040   8.1780   1.7980 -0.4689000 2.281000 
1 1 1  -24   24    9 o   5.5520   1.2180   4.2540   1.6750   6.8500   1.7680 -2.597000 2.435000 
1 1 1  -24   24   10 o   16.410   0.5588   16.970   0.7712   15.840   0.8089 1.125000 1.118000 
1 1 1  -24   24   11 o   14.450   0.5920   14.710   0.7732   14.200   0.8965 0.5123000 1.184000 
1 1 1  -24   24   12 o   14.510   0.6639   14.300   0.9025   14.730   0.9739 -0.4346000 1.328000 
1 1 1  -24   24   13 o   8.9790   1.0690   9.2690   1.3700   8.6900   1.6410 0.5792000 2.138000 
1 1 1  -24   24   14 o   13.190   0.7499   13.830   0.9333   12.540   1.1740 1.290000 1.500000 
1 1 1  -24   24   15 o   17.690   0.6046   17.890   0.8102   17.500   0.8977 0.3941000 1.209000 
1 1 1  -24   24   16 f   15.450   0.7147   16.080   0.9151   14.810   1.0980 1.268000 1.429000 
1 1 1  -24   24   17 o   20.310   0.5715   21.030   0.7575   19.600   0.8559 1.423000 1.143000 
1 1 1  -24   24   18 o   8.3730   1.0680   8.5230   1.4170   8.2230   1.5970 0.3002000 2.135000 
1 1 1  -24   24   19 o   5.2930   1.3330   4.7270   1.8330   5.8580   1.9370 -1.131000 2.666000 
1 1 1  -24   24   20 o   7.0390   1.3110   7.0530   1.7780   7.0250   1.9280 0.2821000E-01 2.623000 
1 1 1  -24   24   21 o   9.0160   1.0700   8.8950   1.4870   9.1370   1.5390 -0.2422000 2.140000 
1 1 1  -24   24   22 o   3.5870   1.1590   3.8830   1.7140   3.2900   1.5590 0.5927000 2.317000 
1 1 1  -24   24   23 o   5.3580   1.4220   5.5510   1.9960   5.1650   2.0260 0.3859000 2.844000 
1 1 1  -24   24   24 o   4.4060   1.3300   4.1810   1.8170   4.6310   1.9420 -0.4501000 2.659000 
1 1 1  -24   24   25 o   3.8340   1.2020   4.0620   1.7300   3.6060   1.6700 0.4558000 2.405000 
1 1 1  -24   24   26 o   2.9030   1.0010   2.7640   1.3600   3.0420   1.4700 -0.2786000 2.002000 
1 1 1  -24   24   27 o   3.3710   1.1350   3.7850   1.7210   2.9570   1.4790 0.8273000 2.270000 
1 1 1  -24   26    1 o   8.1250   1.1980   9.5420   1.3930   6.7070   1.9500 2.834000 2.396000 
1 1 1  -24   26    2 o   15.270   0.6384   15.100   0.8791   15.430   0.9259 -0.3342000 1.277000 
1 1 1  -24   26    3 o   9.8460   0.9813   9.9600   1.3240   9.7310   1.4490 0.2285000 1.963000 
1 1 1  -24   26    4 o   9.1710   1.0520   8.4170   1.5570   9.9240   1.4150 -1.506000 2.104000 
1 1 1  -24   26    5 o   14.590   0.6643   14.450   0.9110   14.720   0.9670 -0.2684000 1.329000 
1 1 1  -24   26    6 o   22.430   0.4824   22.520   0.6564   22.350   0.7070 0.1719000 0.9647000 
1 1 1  -24   26    7 o   20.040   0.5206   20.950   0.6777   19.130   0.7905 1.814000 1.041000 
1 1 1  -24   26    8 o   4.9230   1.3140   3.8020   1.6850   6.0430   2.0180 -2.241000 2.629000 
1 1 1  -24   26    9 o   6.4720   1.3830   5.8320   1.9560   7.1110   1.9560 -1.279000 2.766000 
1 1 1  -24   26   10 o   5.8040   1.3680   4.7880   1.8870   6.8200   1.9810 -2.032000 2.736000 
1 1 1  -24   26   11 o   11.450   0.9335   10.600   1.3730   12.300   1.2650 -1.697000 1.867000 
1 1 1  -24   26   12 o   7.6880   1.3460   7.4540   1.8810   7.9210   1.9260 -0.4676000 2.692000 
1 1 1  -24   26   13 o   3.0920   1.0130   3.8190   1.6410   2.3650   1.1900 1.454000 2.027000 
1 1 1  -24   26   14 o   22.040   0.4441   22.110   0.6084   21.970   0.6472 0.1380000 0.8882000 
1 1 1  -24   26   15 o   13.480   0.6798   13.770   0.9075   13.200   1.0120 0.5650000 1.360000 
1 1 1  -24   26   16 o   13.800   0.6738   13.910   0.8920   13.700   1.0100 0.2063000 1.348000 
1 1 1  -24   26   17 o   11.800   0.7996   11.160   1.1370   12.450   1.1250 -1.291000 1.599000 
1 1 1  -24   26   18 o   7.9990   1.1850   8.1640   1.5990   7.8330   1.7480 0.3305000 2.369000 
1 1 1  -24   26   19 o   4.2990   1.2630   4.6270   1.8390   3.9700   1.7330 0.6570000 2.527000 
1 1 1  -24   26   20 o   3.3150   1.1100   3.8010   1.7220   2.8280   1.4000 0.9733000 2.219000 
1 1 1  -24   26   21 o   2.8380   0.9916   2.5960   1.2980   3.0790   1.4990 -0.4836000 1.983000 
1 1 1  -24   26   22 o   2.8000   0.9663   2.9760   1.4320   2.6230   1.2980 0.3532000 1.933000 
1 1 1  -24   26   23 o   3.6500   1.1730   3.4180   1.5670   3.8810   1.7450 -0.4631000 2.345000 
1 1 1  -24   26   24 o   2.8570   0.9893   2.9950   1.4490   2.7200   1.3470 0.2748000 1.979000 
1 1 1  -24   28    1 o   20.150   0.4651   20.160   0.6453   20.130   0.6699 0.2440000E-01 0.9302000 
1 1 1  -24   28    2 o   22.810   0.4209   22.640   0.5864   22.980   0.6040 -0.3393000 0.8419000 
1 1 1  -24   28    3 o   15.020   0.5916   15.470   0.7916   14.570   0.8795 0.8950000 1.183000 
1 1 1  -24   28    4 o   12.860   0.6754   12.700   0.9424   13.030   0.9676 -0.3331000 1.351000 
1 1 1  -24   28    5 o   4.0810   1.2010   3.2620   1.5030   4.8990   1.8730 -1.637000 2.401000 
1 1 1  -24   28    6 o   14.060   0.6443   13.760   0.8825   14.350   0.9391 -0.5866000 1.289000 
1 1 1  -24   28    7 o   8.4140   1.0670   8.1680   1.4670   8.6610   1.5500 -0.4937000 2.134000 
1 1 1  -24   28    8 o   4.1300   1.1950   3.0320   1.4350   5.2270   1.9110 -2.195000 2.390000 
1 1 1  -24   28    9 o   4.4630   1.2680   4.6630   1.7940   4.2640   1.7930 0.3993000 2.537000 
1 1 1  -24   28   10 o   3.6350   1.1480   3.9430   1.6900   3.3270   1.5530 0.6159000 2.295000 
1 1 1  -24   28   11 o   16.190   0.5722   16.530   0.7723   15.850   0.8446 0.6745000 1.144000 
1 1 1  -24   28   12 f   8.2500   1.1380   8.7880   1.4910   7.7120   1.7190 1.075000 2.276000 
1 1 1  -24   28   13 o   14.910   0.7761   13.710   0.9378   16.120   1.2370 -2.409000 1.552000 
1 1 1  -24   28   14 o   4.0600   1.2070   3.3080   1.5340   4.8120   1.8640 -1.504000 2.414000 
1 1 1  -24   28   15 f   4.1090   1.2250   3.4450   1.5790   4.7740   1.8740 -1.329000 2.450000 
1 1 1  -24   28   16 o   9.4080   1.1400   9.7390   1.4710   9.0770   1.7430 0.6623000 2.281000 
1 1 1  -24   28   17 o   4.3520   1.3050   3.5420   1.6370   5.1620   2.0320 -1.620000 2.609000 
1 1 1  -24   28   18 o   3.8430   1.2300   3.9360   1.7560   3.7510   1.7220 0.1858000 2.460000 
1 1 1  -24   28   19 o   3.0410   1.0170   2.2910   1.1550   3.7910   1.6740 -1.500000 2.034000 
1 1 1  -24   28   20 o   3.1870   1.0510   2.5140   1.2470   3.8610   1.6930 -1.347000 2.102000 
1 1 1  -24   28   21 o   2.2850   0.8209   2.0610   1.0530   2.5090   1.2600 -0.4483000 1.642000 
1 1 1  -24   30    1 o   9.8950   0.9713   8.5540   1.5230   11.240   1.2060 -2.681000 1.943000 
1 1 1  -24   30    2 o   16.130   0.5844   16.060   0.8278   16.210   0.8251 -0.1485000 1.169000 
1 1 1  -24   30    3 o   10.240   0.9059   10.490   1.2370  10.0000   1.3240 0.4889000 1.812000 
1 1 1  -24   30    4 o   4.0070   1.2130   4.1420   1.7380   3.8710   1.6930 0.2705000 2.426000 
1 1 1  -24   30    5 o   6.6340   1.2880   6.8100   1.7890   6.4590   1.8540 0.3506000 2.576000 
1 1 1  -24   30    6 o   4.1420   1.2390   4.0500   1.7290   4.2350   1.7740 -0.1851000 2.478000 
1 1 1  -24   30    7 o   20.120   0.4920   21.000   0.6524   19.230   0.7366 1.766000 0.9840000 
1 1 1  -24   30    8 o   11.460   0.8532   12.790   0.9994   10.130   1.3830 2.662000 1.706000 
1 1 1  -24   30    9 o   3.1640   1.0590   3.4340   1.5790   2.8940   1.4120 0.5392000 2.118000 
1 1 1  -24   30   10 o   4.9650   1.3340   5.8850   1.9710   4.0460   1.7970 1.839000 2.667000 
1 1 1  -24   30   11 o   9.8380   1.0940   10.890   1.3100   8.7810   1.7520 2.113000 2.188000 
1 1 1  -24   30   12 o   4.8630   1.3690   4.9560   1.9230   4.7700   1.9490 0.1855000 2.738000 
1 1 1  -24   30   13 o   5.6430   1.3970   6.0200   1.9670   5.2650   1.9850 0.7543000 2.794000 
1 1 1  -24   30   14 o   7.1020   1.1830   8.9070   1.4230   5.2980   1.8900 3.609000 2.366000 
1 1 1  -24   30   15 o   3.6840   1.1620   3.6300   1.6210   3.7370   1.6650 -0.1069000 2.324000 
1 1 1  -24   30   16 o   3.7530   1.1530   4.2720   1.7400   3.2350   1.5140 1.036000 2.307000 
1 1 1  -24   30   17 o   3.0710   1.0440   2.7580   1.3520   3.3850   1.5900 -0.6267000 2.087000 
1 1 1  -24   30   18 o   2.3960   1.2310  ?   ?    2.3960   1.2310      ?      ? 
1 1 1  -24   32    1 o   4.1880   1.2350   4.7370   1.8370   3.6400   1.6530 1.097000 2.471000 
1 1 1  -24   32    2 o   4.2470   1.2470   4.7280   1.8410   3.7670   1.6820 0.9606000 2.494000 
1 1 1  -24   32    3 o   4.6290   1.2710   3.8630   1.6890   5.3940   1.9000 -1.532000 2.542000 
1 1 1  -24   32    4 o   6.8250   1.3030   7.8970   1.6140   5.7530   2.0460 2.144000 2.606000 
1 1 1  -24   32    5 o   3.0230   1.0200   2.7170   1.3310   3.3290   1.5460 -0.6119000 2.040000 
1 1 1  -24   32    6 o   3.2820   1.0760   2.9780   1.4230   3.5850   1.6150 -0.6068000 2.153000 
1 1 1  -24   32    7 o   3.3970   1.1040   3.3020   1.5330   3.4910   1.5890 -0.1886000 2.208000 
1 1 1  -24   32    8 o   3.5000   1.1190   3.0740   1.4600   3.9270   1.6970 -0.8531000 2.238000 
1 1 1  -24   32    9 o   3.0930   1.0340   3.1270   1.4700   3.0590   1.4540 0.6774000E-01 2.067000 
1 1 1  -24   32   10 o   3.3140   1.0850   3.3940   1.5560   3.2330   1.5130 0.1615000 2.170000 
1 1 1  -24   32   11 o   2.3410   0.8395   2.0670   1.0570   2.6150   1.3050 -0.5483000 1.679000 
1 1 1  -24   32   12 o   3.9680   1.2380   4.2990   1.8230   3.6370   1.6740 0.6624000 2.475000 
1 1 1  -23    1    1 o   24.270   0.2185   24.060   0.3103   24.480   0.3078 -0.4152000 0.4370000 
1 1 1  -23    1    2 o   28.640   0.2340   28.490   0.3309   28.780   0.3311 -0.2894000 0.4680000 
1 1 1  -23    1    3 o   24.070   0.2357   23.230   0.3644   24.900   0.2989 -1.667000 0.4713000 
1 1 1  -23    1    4 o   17.370   0.1964   17.250   0.2793   17.490   0.2761 -0.2389000 0.3927000 
1 1 1  -23    1    5 o   17.630   0.2012   17.640   0.2887   17.620   0.2804 0.1258000E-01 0.4025000 
1 1 1  -23    1    6 o   38.500   0.2779   38.430   0.3628   38.570   0.4211 -0.1333000 0.5558000 
1 1 1  -23    1    7 o   46.610   0.3508   46.310   0.4930   46.910   0.4993 -0.6062000 0.7016000 
1 1 1  -23    1    8 o   66.070   0.4210   65.910   0.5938   66.230   0.5969 -0.3152000 0.8419000 
1 1 1  -23    1    9 o   21.610   0.2632   21.200   0.3354   22.020   0.4056 -0.8189000 0.5264000 
1 1 1  -23    1   10 o   71.150   0.4535   71.190   0.6419   71.110   0.6408 0.8555000E-01 0.9069000 
1 1 1  -23    1   11 o   61.450   0.4562   61.090   0.6419   61.820   0.6484 -0.7252000 0.9123000 
1 1 1  -23    1   12 f   12.120   0.4537   12.350   0.6472   11.880   0.6361 0.4687000 0.9075000 
1 1 1  -23    1   13 o  101.500   0.7431  101.500   1.0500  101.600   1.0510 -0.1031000 1.486000 
1 1 1  -23    1   14 o   99.670   0.6317   99.650   0.8931   99.680   0.8936 -0.2726000E-01 1.263000 
1 1 1  -23    1   15 o   43.970   0.3092   43.640   0.4345   44.310   0.4399 -0.6652000 0.6183000 
1 1 1  -23    1   16 o   28.480   0.2740   28.600   0.3874   28.350   0.3877 0.2474000 0.5481000 
1 1 1  -23    1   17 o   46.150   0.3283   46.040   0.4630   46.260   0.4657 -0.2253000 0.6567000 
1 1 1  -23    1   18 o   34.100   0.2948   34.020   0.4165   34.180   0.4172 -0.1538000 0.5896000 
1 1 1  -23    1   19 o   43.420   0.3551   42.550   0.5350   44.280   0.4672 -1.729000 0.7103000 
1 1 1  -23    1   20 o   38.390   0.3153   38.720   0.4483   38.060   0.4437 0.6658000 0.6307000 
1 1 1  -23    1   21 o   5.3630   1.3150   5.3290   1.8610   5.3970   1.8570 -0.6737000E-01 2.630000 
1 1 1  -23    1   22 o   49.420   0.3558   49.540   0.5054   49.290   0.5010 0.2503000 0.7117000 
1 1 1  -23    1   23 o   14.860   0.4505   14.520   0.6580   15.200   0.6154 -0.6796000 0.9009000 
1 1 1  -23    1   24 o   34.140   0.3059   34.670   0.4380   33.610   0.4273 1.060000 0.6119000 
1 1 1  -23    1   25 o   14.950   0.5271   14.930   0.7445   14.980   0.7462 -0.4471000E-01 1.054000 
1 1 1  -23    1   26 o   32.960   0.5174   33.330   0.8256   32.590   0.6240 0.7408000 1.035000 
1 1 1  -23    1   27 o   3.5960   1.0510   2.8340   1.3810   4.3590   1.5860 -1.526000 2.102000 
1 1 1  -23    1   28 o   7.0100   1.1200   6.0790   1.8870   7.9410   1.2080 -1.862000 2.241000 
1 1 1  -23    1   29 f   16.880   0.5048   16.940   0.8094   16.820   0.6034 0.1281000 1.010000 
1 1 1  -23    1   30 o   12.510   0.7769   13.430   0.9269   11.590   1.2470 1.839000 1.554000 
1 1 1  -23    1   31 o   6.6470   1.2870   6.9660   1.5410   6.3270   2.0610 0.6381000 2.574000 
1 1 1  -23    1   32 o   12.400   0.8104   12.700   0.8936   12.090   1.3520 0.6021000 1.621000 
1 1 1  -23    1   33 o   5.2250   1.3510   6.5350   1.9850   3.9150   1.8330 2.620000 2.702000 
1 1 1  -23    1   34 o   4.4530   1.4660   3.5420   1.6390   5.3630   2.4320 -1.821000 2.933000 
1 1 1  -23    1   35 o   7.5710   1.3220   6.6480   2.1220   8.4940   1.5770 -1.846000 2.643000 
1 1 1  -23    1   36 o   3.8370   1.1950   4.2110   1.7730   3.4640   1.6020 0.7473000 2.390000 
1 1 1  -23    1   37 o   4.5960   1.3310   5.5160   2.0320   3.6750   1.7200 1.841000 2.662000 
1 1 1  -23    3    1 o   26.090   0.2630   27.370   0.4519   24.810   0.2691 2.568000 0.5259000 
1 1 1  -23    3    2 o   44.890   0.4246   45.800   0.6097   43.980   0.5911 1.827000 0.8492000 
1 1 1  -23    3    3 o   32.880   0.3410   33.230   0.4835   32.530   0.4810 0.6970000 0.6821000 
1 1 1  -23    3    4 o   23.150   0.3072   24.200   0.4327   22.100   0.4363 2.103000 0.6145000 
1 1 1  -23    3    5 o   42.710   0.2799   43.200   0.4003   42.210   0.3914 0.9834000 0.5599000 
1 1 1  -23    3    6 o   15.980   0.2061   16.480   0.3165   15.480   0.2640 1.001000 0.4122000 
1 1 1  -23    3    7 o   63.750   0.4710   63.400   0.6623   64.100   0.6699 -0.6955000 0.9421000 
1 1 1  -23    3    8 o   34.000   0.2779   34.070   0.3913   33.930   0.3946 0.1454000 0.5558000 
1 1 1  -23    3    9 o   28.140   0.2199   27.610   0.3090   28.680   0.3129 -1.079000 0.4397000 
1 1 1  -23    3   10 o   50.610   0.3819   50.130   0.5363   51.100   0.5439 -0.9763000 0.7638000 
1 1 1  -23    3   11 o   64.640   0.4791   64.640   0.6780   64.640   0.6772 -0.7294000E-02 0.9583000 
1 1 1  -23    3   12 o   57.950   0.4374   57.630   0.6176   58.280   0.6197 -0.6589000 0.8749000 
1 1 1  -23    3   13 o  113.200   0.8280  113.200   1.1710  113.200   1.1710 0.1849000E-01 1.656000 
1 1 1  -23    3   14 o   40.520   0.2905   40.820   0.4130   40.210   0.4085 0.6168000 0.5809000 
1 1 1  -23    3   15 o   43.840   0.3105   43.580   0.4373   44.100   0.4410 -0.5200000 0.6210000 
1 1 1  -23    3   16 o   96.320   0.6137   96.440   0.8694   96.200   0.8665 0.2393000 1.227000 
1 1 1  -23    3   17 o   55.380   0.3762   55.500   0.5336   55.260   0.5305 0.2323000 0.7524000 
1 1 1  -23    3   18 o   28.140   0.3025   28.530   0.4274   27.750   0.4283 0.7869000 0.6051000 
1 1 1  -23    3   19 o   6.3870   1.0520   6.2130   1.5200   6.5610   1.4560 -0.3487000 2.105000 
1 1 1  -23    3   20 o   32.850   0.3585   33.340   0.5150   32.370   0.4988 0.9646000 0.7169000 
1 1 1  -23    3   21 o   26.260   0.3741   26.270   0.5262   26.260   0.5320 0.9016000E-02 0.7483000 
1 1 1  -23    3   22 o   4.3780   1.2200   4.5700   1.8330   4.1860   1.6110 0.3840000 2.440000 
1 1 1  -23    3   23 o   17.290   0.4845   17.260   0.7914   17.310   0.5591 -0.4728000E-01 0.9689000 
1 1 1  -23    3   24 o   28.230   0.3754   28.720   0.6091   27.750   0.4389 0.9683000 0.7507000 
1 1 1  -23    3   25 o   40.420   0.5100   39.840   0.8672   40.990   0.5368 -1.155000 1.020000 
1 1 1  -23    3   26 o   5.0010   1.2200   5.0580   1.7630   4.9450   1.6860 0.1139000 2.440000 
1 1 1  -23    3   27 o   9.2120   0.7029   9.1860   0.9750   9.2380   1.0130 -0.5229000E-01 1.406000 
1 1 1  -23    3   28 o   6.6670   0.9654   8.0460   1.1440   5.2890   1.5560 2.757000 1.931000 
1 1 1  -23    3   29 o   6.6100   1.0230   6.0210   1.5210   7.1990   1.3690 -1.178000 2.046000 
1 1 1  -23    3   30 o   5.0140   1.1760   4.6030   1.6490   5.4250   1.6760 -0.8222000 2.352000 
1 1 1  -23    3   31 o   19.290   0.4088   18.990   0.5742   19.600   0.5822 -0.6135000 0.8177000 
1 1 1  -23    3   32 o   4.1170   1.1460   3.0470   1.4360   5.1860   1.7870 -2.139000 2.293000 
1 1 1  -23    3   33 o   6.8500   1.3620   7.3430   1.8970   6.3570   1.9560 0.9856000 2.725000 
1 1 1  -23    3   34 f   6.9440   1.5960   7.5400   1.7940   6.3490   2.6400 1.191000 3.192000 
1 1 1  -23    3   35 o   10.540   1.2410   12.230   1.0960   8.8500   2.2270 3.375000 2.482000 
1 1 1  -23    3   36 o   10.640   1.2360   12.870   1.0290   8.4060   2.2490 4.466000 2.473000 
1 1 1  -23    3   37 o   3.4680   1.1740   3.6630   1.7050   3.2720   1.6150 0.3911000 2.349000 
1 1 1  -23    5    1 o   36.990   0.2712   37.630   0.3618   36.340   0.4041 1.294000 0.5424000 
1 1 1  -23    5    2 o   51.620   0.3633   51.670   0.5518   51.570   0.4728 0.9851000E-01 0.7267000 
1 1 1  -23    5    3 o   28.090   0.2604   28.700   0.4275   27.490   0.2974 1.210000 0.5207000 
1 1 1  -23    5    4 o   37.830   0.2576   37.920   0.3644   37.740   0.3643 0.1820000 0.5153000 
1 1 1  -23    5    5 f   15.040   0.2228   15.250   0.3076   14.830   0.3225 0.4205000 0.4457000 
1 1 1  -23    5    6 o   54.740   0.3547   54.700   0.5015   54.780   0.5018 -0.7896000E-01 0.7094000 
1 1 1  -23    5    7 o   12.160   0.3528   12.260   0.4757   12.070   0.5212 0.1962000 0.7057000 
1 1 1  -23    5    8 o   57.700   0.4823   58.660   0.7564   56.730   0.5986 1.922000 0.9646000 
1 1 1  -23    5    9 o   33.280   0.2820   33.770   0.4014   32.790   0.3963 0.9835000 0.5641000 
1 1 1  -23    5   10 o   72.710   0.4656   73.120   0.6622   72.300   0.6547 0.8219000 0.9312000 
1 1 1  -23    5   11 o   61.470   0.3991   61.860   0.5677   61.090   0.5612 0.7699000 0.7983000 
1 1 1  -23    5   12 o   47.010   0.3724   46.790   0.5268   47.240   0.5266 -0.4520000 0.7449000 
1 1 1  -23    5   13 o   12.040   0.4837   12.630   0.6719   11.440   0.6959 1.182000 0.9674000 
1 1 1  -23    5   14 o   87.240   0.5571   86.970   0.7853   87.500   0.7903 -0.5305000 1.114000 
1 1 1  -23    5   15 o   32.770   0.2817   32.490   0.3969   33.050   0.3999 -0.5549000 0.5634000 
1 1 1  -23    5   16 o   65.370   0.5298   65.720   0.8688   65.020   0.6064 0.6996000 1.060000 
1 1 1  -23    5   17 o   37.550   0.3750   38.080   0.6148   37.010   0.4296 1.071000 0.7501000 
1 1 1  -23    5   18 o   91.010   0.7198   91.630   1.1820   90.380   0.8217 1.255000 1.440000 
1 1 1  -23    5   19 o   5.3180   1.4120   5.1750   2.2050   5.4620   1.7650 -0.2874000 2.824000 
1 1 1  -23    5   20 o   37.720   0.3902   38.240   0.6373   37.190   0.4505 1.055000 0.7805000 
1 1 1  -23    5   21 o   10.710   0.8149   10.810   1.2530   10.600   1.0420 0.2056000 1.630000 
1 1 1  -23    5   22 o   34.810   0.3128   35.220   0.4442   34.410   0.4405 0.8071000 0.6256000 
1 1 1  -23    5   23 o   18.170   0.3859   17.760   0.5533   18.570   0.5381 -0.8068000 0.7718000 
1 1 1  -23    5   24 o   10.780   0.7022   10.710   0.9729   10.850   1.0130 -0.1417000 1.404000 
1 1 1  -23    5   25 o   15.580   0.5080   15.530   0.6842   15.630   0.7512 -0.9521000E-01 1.016000 
1 1 1  -23    5   26 o   14.120   0.5546   14.720   0.7560   13.520   0.8117 1.196000 1.109000 
1 1 1  -23    5   27 o   11.150   0.5810   10.920   0.8245   11.390   0.8189 -0.4655000 1.162000 
1 1 1  -23    5   28 o   6.3620   1.0420   5.7880   1.5310   6.9370   1.4150 -1.149000 2.085000 
1 1 1  -23    5   29 o   18.300   0.4063   18.640   0.5659   17.960   0.5833 0.6758000 0.8127000 
1 1 1  -23    5   30 o   20.060   0.3957   19.800   0.5623   20.320   0.5568 -0.5163000 0.7913000 
1 1 1  -23    5   31 f   4.1060   1.1560   4.6820   1.7090   3.5290   1.5580 1.154000 2.313000 
1 1 1  -23    5   32 o   5.3120   1.3410   4.7360   1.8720   5.8880   1.9200 -1.152000 2.681000 
1 1 1  -23    5   33 o   4.4500   1.3130   4.1850   1.8050   4.7140   1.9060 -0.5287000 2.625000 
1 1 1  -23    5   34 o   6.9340   1.3540   8.0970   1.7610   5.7700   2.0570 2.328000 2.708000 
1 1 1  -23    5   35 o   4.0610   1.2030   4.8650   1.8480   3.2570   1.5400 1.608000 2.405000 
1 1 1  -23    5   36 o   4.3400   1.2630   4.8810   1.8780   3.8000   1.6910 1.081000 2.527000 
1 1 1  -23    5   37 o   3.8480   1.2460   4.3460   1.8800   3.3490   1.6360 0.9970000 2.493000 
1 1 1  -23    7    1 o   40.540   0.3953   40.230   0.5559   40.850   0.5620 -0.6142000 0.7905000 
1 1 1  -23    7    2 o   53.580   0.4950   53.560   0.6997   53.610   0.7003 -0.4420000E-01 0.9899000 
1 1 1  -23    7    3 o   30.330   0.3023   30.410   0.3735   30.260   0.4754 0.1463000 0.6046000 
1 1 1  -23    7    4 o   48.710   0.4568   47.470   0.6305   49.960   0.6612 -2.490000 0.9137000 
1 1 1  -23    7    5 o   69.400   0.5150   68.990   0.7237   69.810   0.7330 -0.8245000 1.030000 
1 1 1  -23    7    6 o   63.510   0.4746   63.700   0.6723   63.330   0.6702 0.3705000 0.9493000 
1 1 1  -23    7    7 o   40.290   0.2841   40.170   0.4012   40.410   0.4024 -0.2443000 0.5682000 
1 1 1  -23    7    8 o   34.770   0.3084   35.340   0.4324   34.210   0.4399 1.129000 0.6168000 
1 1 1  -23    7    9 o   96.010   0.6097   95.550   0.8581   96.470   0.8664 -0.9165000 1.219000 
1 1 1  -23    7   10 f   89.180   0.6973   89.040   1.1390   89.310   0.8045 -0.2694000 1.395000 
1 1 1  -23    7   11 o   38.890   0.3567   39.180   0.5849   38.590   0.4085 0.5836000 0.7135000 
1 1 1  -23    7   12 o   25.250   0.4584  ?   ?    25.250   0.4584      ?      ? 
1 1 1  -23    7   13 o   23.650   0.3615   23.990   0.5863   23.320   0.4231 0.6736000 0.7230000 
1 1 1  -23    7   14 o   11.720   0.6285   11.770   1.0140   11.670   0.7432 0.9832000E-01 1.257000 
1 1 1  -23    7   15 o   61.030   0.5018   61.020   0.8201   61.030   0.5786 -0.1316000E-01 1.004000 
1 1 1  -23    7   16 o   7.8450   1.0530   8.4160   1.6230   7.2740   1.3430 1.142000 2.107000 
1 1 1  -23    7   17 o   30.720   0.3173   30.970   0.4516   30.470   0.4457 0.5011000 0.6345000 
1 1 1  -23    7   18 o   5.4990   1.2880   5.3060   1.8280   5.6910   1.8150 -0.3849000 2.576000 
1 1 1  -23    7   19 o   32.150   0.3183   32.070   0.4474   32.230   0.4529 -0.1547000 0.6366000 
1 1 1  -23    7   20 o   37.350   0.3191   37.530   0.4507   37.160   0.4519 0.3741000 0.6383000 
1 1 1  -23    7   21 o   20.060   0.3996   19.930   0.5520   20.200   0.5778 -0.2656000 0.7991000 
1 1 1  -23    7   22 o   15.750   0.4398   16.850   0.5731   14.650   0.6672 2.196000 0.8796000 
1 1 1  -23    7   23 f   10.300   0.7444   10.020   1.0250   10.580   1.0800 -0.5675000 1.489000 
1 1 1  -23    7   24 o   7.1330   1.0680   7.1780   1.4290   7.0890   1.5870 0.8948000E-01 2.135000 
1 1 1  -23    7   25 o   2.8650   0.9342   3.0320   1.3650   2.6980   1.2760 0.3339000 1.868000 
1 1 1  -23    7   26 o   4.9010   1.1960   4.1710   1.6890   5.6310   1.6930 -1.460000 2.392000 
1 1 1  -23    7   27 o   5.7050   1.0730   6.5830   1.3870   4.8260   1.6370 1.757000 2.146000 
1 1 1  -23    7   28 o   11.590   0.6022   10.860   0.8802   12.320   0.8221 -1.462000 1.204000 
1 1 1  -23    7   29 o   14.840   0.4901   14.960   0.6648   14.730   0.7202 0.2278000 0.9801000 
1 1 1  -23    7   30 o   12.070   0.6299   12.100   0.8783   12.040   0.9032 0.6437000E-01 1.260000 
1 1 1  -23    7   31 o   9.4920   0.8585   8.7150   1.2970   10.270   1.1250 -1.554000 1.717000 
1 1 1  -23    7   32 o   4.6680   1.2720   5.9690   1.9960   3.3670   1.5780 2.602000 2.544000 
1 1 1  -23    7   33 o   5.4640   1.3610   5.3280   1.8410   5.6010   2.0060 -0.2728000 2.723000 
1 1 1  -23    7   34 o   3.5470   1.1620   4.0820   1.7970   3.0120   1.4730 1.070000 2.324000 
1 1 1  -23    7   35 o   3.5020   1.1400   3.3380   1.5490   3.6670   1.6730 -0.3296000 2.280000 
1 1 1  -23    7   36 o   3.5770   1.1800   3.2660   1.5620   3.8870   1.7700 -0.6206000 2.360000 
1 1 1  -23    7   37 o   2.7390   0.9612   2.9240   1.4330   2.5550   1.2810 0.3690000 1.922000 
1 1 1  -23    9    1 o   52.260   0.3481   52.130   0.4910   52.400   0.4934 -0.2711000 0.6961000 
1 1 1  -23    9    2 o   35.250   0.2657   35.040   0.3744   35.460   0.3771 -0.4162000 0.5314000 
1 1 1  -23    9    3 o   50.720   0.3399   50.580   0.4796   50.860   0.4819 -0.2826000 0.6799000 
1 1 1  -23    9    4 o   22.130   0.3388   22.780   0.5639   21.480   0.3756 1.299000 0.6776000 
1 1 1  -23    9    5 f   35.270   0.3419   35.830   0.5658   34.700   0.3840 1.131000 0.6838000 
1 1 1  -23    9    6 o   34.180   0.3411   34.250   0.5614   34.110   0.3877 0.1444000 0.6823000 
1 1 1  -23    9    7 o   69.550   0.5544   69.700   0.9087   69.410   0.6355 0.2940000 1.109000 
1 1 1  -23    9    8 o   95.210   0.7425   94.330   1.2070   96.100   0.8649 -1.773000 1.485000 
1 1 1  -23    9    9 o   22.380   0.3692   22.180   0.6142   22.580   0.4098 -0.4079000 0.7384000 
1 1 1  -23    9   10 o   80.620   0.6724   80.970   1.0460   80.270   0.8449 0.7038000 1.345000 
1 1 1  -23    9   11 o   27.560   0.3454   28.090   0.4962   27.030   0.4806 1.061000 0.6907000 
1 1 1  -23    9   12 o   78.490   0.5076   78.360   0.7168   78.630   0.7191 -0.2712000 1.015000 
1 1 1  -23    9   13 o   14.560   0.4532   13.770   0.6602   15.340   0.6212 -1.570000 0.9065000 
1 1 1  -23    9   14 o   55.150   0.3815   55.160   0.5398   55.140   0.5394 0.1903000E-01 0.7631000 
1 1 1  -23    9   15 o   53.980   0.3771   53.760   0.5315   54.200   0.5352 -0.4447000 0.7543000 
1 1 1  -23    9   16 o   66.280   0.5115   66.590   0.7259   65.970   0.7209 0.6123000 1.023000 
1 1 1  -23    9   17 o   19.590   0.5565   21.250   0.6355   17.920   0.9137 3.327000 1.113000 
1 1 1  -23    9   18 o   33.820   0.3234   34.010   0.4521   33.630   0.4626 0.3866000 0.6469000 
1 1 1  -23    9   19 o   34.150   0.3232   34.000   0.4516   34.300   0.4625 -0.2917000 0.6464000 
1 1 1  -23    9   20 o   25.490   0.3726   25.890   0.5157   25.090   0.5380 0.8065000 0.7452000 
1 1 1  -23    9   21 o   7.0660   1.0210   9.6070   1.0990   4.5250   1.7210 5.082000 2.042000 
1 1 1  -23    9   22 o   24.330   0.3875   24.620   0.5336   24.030   0.5620 0.5885000 0.7749000 
1 1 1  -23    9   23 f   15.510   0.4632   15.500   0.6514   15.520   0.6586 -0.2469000E-01 0.9263000 
1 1 1  -23    9   24 o   18.720   0.3900   18.560   0.5406   18.880   0.5623 -0.3231000 0.7800000 
1 1 1  -23    9   25 o   31.810   0.3676   31.920   0.5297   31.710   0.5099 0.2151000 0.7353000 
1 1 1  -23    9   26 o   15.550   0.5305   15.720   0.7641   15.390   0.7361 0.3345000 1.061000 
1 1 1  -23    9   27 o   3.1410   0.9979   2.7920   1.3100   3.4910   1.5060 -0.6991000 1.996000 
1 1 1  -23    9   28 o   7.2610   0.9823   7.0310   1.4130   7.4910   1.3650 -0.4597000 1.965000 
1 1 1  -23    9   29 o   8.0900   0.9393   9.1720   1.1160   7.0090   1.5110 2.162000 1.879000 
1 1 1  -23    9   30 o   12.940   0.6022   13.280   0.8297   12.600   0.8730 0.6813000 1.204000 
1 1 1  -23    9   31 o   4.0490   1.2310   3.4910   1.6250   4.6060   1.8500 -1.116000 2.462000 
1 1 1  -23    9   32 o   4.1610   1.2250   4.3790   1.7570   3.9440   1.7060 0.4350000 2.449000 
1 1 1  -23    9   33 o   17.030   0.6158   17.040   0.8395   17.020   0.9011 0.2005000E-01 1.232000 
1 1 1  -23    9   34 o   4.3310   1.2400   5.1490   1.8900   3.5130   1.6080 1.636000 2.481000 
1 1 1  -23    9   35 o   2.3290   0.8385   2.2090   1.1280   2.4500   1.2410 -0.2409000 1.677000 
1 1 1  -23    9   36 o   2.9630   1.0070   3.4440   1.5880   2.4830   1.2390 0.9609000 2.014000 
1 1 1  -23   11    1 o   32.290   0.3485   32.960   0.5796   31.610   0.3871 1.345000 0.6970000 
1 1 1  -23   11    2 o   20.870   0.3802   21.300   0.6333   20.450   0.4211 0.8486000 0.7605000 
1 1 1  -23   11    3 o   50.020   0.3431   49.600   0.4826   50.450   0.4878 -0.8445000 0.6862000 
1 1 1  -23   11    4 o   88.820   0.5674   90.190   0.8137   87.440   0.7910 2.749000 1.135000 
1 1 1  -23   11    5 o   91.420   0.5831   92.290   0.8321   90.550   0.8172 1.745000 1.166000 
1 1 1  -23   11    6 o   92.410   0.5899   92.340   0.8330   92.470   0.8356 -0.1287000 1.180000 
1 1 1  -23   11    7 o   80.250   0.5172   81.180   0.7386   79.320   0.7242 1.859000 1.034000 
1 1 1  -23   11    8 o   33.360   0.3499   33.550   0.4989   33.170   0.4909 0.3833000 0.6999000 
1 1 1  -23   11    9 o   59.780   0.4680   59.290   0.6598   60.280   0.6638 -0.9899000 0.9359000 
1 1 1  -23   11   10 o   55.100   0.3814   54.990   0.5383   55.220   0.5405 -0.2272000 0.7629000 
1 1 1  -23   11   11 o   45.410   0.3400   45.660   0.4813   45.160   0.4804 0.4972000 0.6800000 
1 1 1  -23   11   12 o   46.520   0.3744   46.360   0.5644   46.680   0.4922 -0.3128000 0.7489000 
1 1 1  -23   11   13 o   38.040   0.3572   37.530   0.5353   38.550   0.4733 -1.015000 0.7145000 
1 1 1  -23   11   14 f   36.710   0.3847   36.630   0.5416   36.790   0.5464 -0.1604000 0.7694000 
1 1 1  -23   11   15 o   15.200   0.6247   15.350   0.8595   15.040   0.9067 0.3130000 1.249000 
1 1 1  -23   11   16 o   28.900   0.3440   29.010   0.4742   28.780   0.4985 0.2372000 0.6880000 
1 1 1  -23   11   17 o   19.390   0.4311   18.210   0.6223   20.560   0.5968 -2.349000 0.8622000 
1 1 1  -23   11   18 o   49.770   0.3662   50.010   0.5168   49.530   0.5190 0.4798000 0.7324000 
1 1 1  -23   11   19 o   30.770   0.3494   30.960   0.4660   30.590   0.5207 0.3656000 0.6988000 
1 1 1  -23   11   20 o   12.830   0.7013   12.630   0.8996   13.020   1.0760 -0.3886000 1.403000 
1 1 1  -23   11   21 o   9.1190   0.8959   9.4460   1.1820   8.7930   1.3470 0.6530000 1.792000 
1 1 1  -23   11   22 o   31.980   0.3168   32.040   0.4503   31.910   0.4459 0.1243000 0.6337000 
1 1 1  -23   11   23 f   13.640   0.5090   13.890   0.6896   13.390   0.7488 0.5064000 1.018000 
1 1 1  -23   11   24 o   4.7680   1.1520   4.3800   1.6170   5.1570   1.6420 -0.7763000 2.304000 
1 1 1  -23   11   25 o   35.240   0.3768   35.450   0.5471   35.040   0.5183 0.4161000 0.7536000 
1 1 1  -23   11   26 o   18.630   0.4042   18.920   0.5610   18.340   0.5819 0.5812000 0.8083000 
1 1 1  -23   11   27 o   3.6600   1.0930   3.2530   1.4530   4.0660   1.6350 -0.8132000 2.187000 
1 1 1  -23   11   28 o   13.560   0.5611   13.220   0.7922   13.900   0.7950 -0.6758000 1.122000 
1 1 1  -23   11   29 o   6.9580   1.0750   8.9880   1.2120   4.9270   1.7760 4.061000 2.150000 
1 1 1  -23   11   30 o   4.8780   1.2980   3.7580   1.6860   5.9970   1.9750 -2.239000 2.597000 
1 1 1  -23   11   31 o   9.5780   0.9327   8.4180   1.4450   10.740   1.1790 -2.322000 1.865000 
1 1 1  -23   11   32 f   13.590   0.6782   14.140   0.8989   13.040   1.0160 1.099000 1.356000 
1 1 1  -23   11   33 o   12.660   0.8271   13.380   1.0650   11.930   1.2660 1.447000 1.654000 
1 1 1  -23   11   34 o   3.0510   1.0500   3.1060   1.5020   2.9950   1.4680 0.1114000 2.100000 
1 1 1  -23   11   35 o   14.820   0.7267   15.130   0.9926   14.500   1.0620 0.6295000 1.453000 
1 1 1  -23   13    1 o   65.210   0.4990   65.290   0.7049   65.120   0.7064 0.1627000 0.9979000 
1 1 1  -23   13    2 o   19.610   0.4877   19.280   0.5865   19.950   0.7792 -0.6709000 0.9753000 
1 1 1  -23   13    3 o   52.090   0.4197   52.250   0.5915   51.940   0.5957 0.3061000 0.8395000 
1 1 1  -23   13    4 o   86.490   0.6425   86.050   0.9028   86.940   0.9145 -0.8907000 1.285000 
1 1 1  -23   13    5 o   64.010   0.4929   63.720   0.6924   64.300   0.7017 -0.5850000 0.9858000 
1 1 1  -23   13    6 o   63.900   0.4933   63.290   0.6894   64.510   0.7058 -1.227000 0.9866000 
1 1 1  -23   13    7 o   26.620   0.3338   27.030   0.4509   26.210   0.4923 0.8106000 0.6676000 
1 1 1  -23   13    8 o   35.820   0.3214   35.630   0.4389   36.020   0.4698 -0.3941000 0.6429000 
1 1 1  -23   13    9 o   38.190   0.3253   38.120   0.4511   38.250   0.4689 -0.1305000 0.6507000 
1 1 1  -23   13   10 o   40.090   0.3890   39.820   0.5441   40.360   0.5562 -0.5463000 0.7781000 
1 1 1  -23   13   11 o   51.710   0.4349   51.860   0.6155   51.560   0.6146 0.3009000 0.8698000 
1 1 1  -23   13   12 o   16.500   0.5978   16.240   0.8435   16.760   0.8474 -0.5182000 1.196000 
1 1 1  -23   13   13 o   45.060   0.3565   44.540   0.4978   45.580   0.5106 -1.035000 0.7131000 
1 1 1  -23   13   14 o   19.940   0.4402   19.290   0.6154   20.590   0.6296 -1.299000 0.8804000 
1 1 1  -23   13   15 o   16.550   0.5124   17.220   0.6761   15.870   0.7703 1.342000 1.025000 
1 1 1  -23   13   16 o   33.170   0.3381   33.540   0.4677   32.800   0.4883 0.7307000 0.6762000 
1 1 1  -23   13   17 o   15.060   0.5252   15.670   0.6972   14.460   0.7857 1.219000 1.050000 
1 1 1  -23   13   18 o   19.740   0.4529   19.290   0.6276   20.190   0.6532 -0.9000000 0.9058000 
1 1 1  -23   13   19 o   15.430   0.6366   16.170   0.8032   14.690   0.9878 1.481000 1.273000 
1 1 1  -23   13   20 o   14.700   0.5001   14.670   0.6979   14.740   0.7165 -0.7377000E-01 1.000000 
1 1 1  -23   13   21 o   19.400   0.3930   18.990   0.5567   19.820   0.5548 -0.8353000 0.7860000 
1 1 1  -23   13   22 o   2.8680   0.9480   2.8100   1.3170   2.9260   1.3640 -0.1164000 1.896000 
1 1 1  -23   13   23 o   18.800   0.3991   18.720   0.5467   18.870   0.5816 -0.1458000 0.7982000 
1 1 1  -23   13   24 o   7.2690   1.1320   6.9970   1.6570   7.5400   1.5420 -0.5429000 2.264000 
1 1 1  -23   13   25 o   13.770   0.5259   13.700   0.7124   13.830   0.7738 -0.1345000 1.052000 
1 1 1  -23   13   26 o   10.470   0.7133   11.080   0.9054   9.8590   1.1030 1.224000 1.427000 
1 1 1  -23   13   27 o   12.130   0.6555   13.200   0.8191   11.050   1.0240 2.142000 1.311000 
1 1 1  -23   13   28 o   10.970   0.7511   11.020   1.0260   10.930   1.0970 0.8738000E-01 1.502000 
1 1 1  -23   13   29 o   10.890   0.9227   10.420   1.3260   11.350   1.2840 -0.9288000 1.845000 
1 1 1  -23   13   30 o   17.070   0.5429   17.810   0.7021   16.330   0.8283 1.479000 1.086000 
1 1 1  -23   13   31 o   4.2490   1.2540   3.9970   1.7060   4.5010   1.8370 -0.5039000 2.508000 
1 1 1  -23   13   32 o   5.9900   1.3520   7.2180   1.8650   4.7610   1.9590 2.457000 2.705000 
1 1 1  -23   13   33 o   3.3990   1.1430   3.4220   1.6190   3.3760   1.6130 0.4591000E-01 2.285000 
1 1 1  -23   13   34 o   3.9190   1.2480   3.7750   1.7120   4.0630   1.8160 -0.2877000 2.496000 
1 1 1  -23   13   35 o   3.0360   1.0370   3.4750   1.5870   2.5970   1.3350 0.8783000 2.074000 
1 1 1  -23   15    1 o   34.580   0.4191   32.740   0.5283   36.420   0.6508 -3.675000 0.8382000 
1 1 1  -23   15    2 o   32.690   0.3710   32.630   0.5222   32.760   0.5270 -0.1354000 0.7419000 
1 1 1  -23   15    3 o   50.950   0.4214   51.220   0.5962   50.680   0.5957 0.5441000 0.8428000 
1 1 1  -23   15    4 o   33.570   0.3722   34.260   0.5260   32.880   0.5267 1.380000 0.7444000 
1 1 1  -23   15    5 o   76.650   0.5797   75.920   0.8109   77.380   0.8287 -1.465000 1.159000 
1 1 1  -23   15    6 o   19.340   0.5078   19.400   0.6780   19.280   0.7560 0.1231000 1.016000 
1 1 1  -23   15    7 o   29.320   0.4013   29.680   0.5450   28.950   0.5891 0.7284000 0.8025000 
1 1 1  -23   15    8 o   48.600   0.3660   49.080   0.5127   48.130   0.5224 0.9456000 0.7320000 
1 1 1  -23   15    9 o   39.770   0.3441   39.680   0.4746   39.860   0.4983 -0.1813000 0.6882000 
1 1 1  -23   15   10 o   27.400   0.3648   26.730   0.4988   28.070   0.5325 -1.342000 0.7296000 
1 1 1  -23   15   11 o   21.530   0.4299   21.830   0.5825   21.230   0.6324 0.5959000 0.8598000 
1 1 1  -23   15   12 o   72.880   0.4874   72.930   0.6876   72.830   0.6910 0.9467000E-01 0.9749000 
1 1 1  -23   15   13 o   11.310   0.7462   10.560   1.0890   12.060   1.0200 -1.492000 1.492000 
1 1 1  -23   15   14 o   26.160   0.3772   26.280   0.5167   26.050   0.5497 0.2292000 0.7544000 
1 1 1  -23   15   15 o   15.680   0.5395   15.080   0.7638   16.290   0.7622 -1.212000 1.079000 
1 1 1  -23   15   16 o   11.390   0.8023   11.920   1.0120   10.860   1.2450 1.050000 1.605000 
1 1 1  -23   15   17 o   9.2870   1.0750   8.8330   1.4860   9.7400   1.5550 -0.9069000 2.150000 
1 1 1  -23   15   18 o   24.210   0.3811   24.370   0.5469   24.040   0.5309 0.3245000 0.7622000 
1 1 1  -23   15   19 o   15.140   0.4946   14.660   0.6975   15.620   0.7015 -0.9567000 0.9893000 
1 1 1  -23   15   20 o   27.070   0.3414   27.150   0.4714   27.000   0.4940 0.1474000 0.6828000 
1 1 1  -23   15   21 o   15.460   0.4762   15.500   0.6440   15.420   0.7017 0.8102000E-01 0.9524000 
1 1 1  -23   15   22 o   8.5270   0.8649   8.2010   1.2260   8.8530   1.2210 -0.6525000 1.730000 
1 1 1  -23   15   23 o   4.5320   1.2390   4.8190   1.7840   4.2460   1.7200 0.5729000 2.478000 
1 1 1  -23   15   24 o   24.980   0.3584   24.840   0.5032   25.120   0.5104 -0.2796000 0.7168000 
1 1 1  -23   15   25 o   12.190   0.6262   11.710   0.8947   12.670   0.8764 -0.9563000 1.252000 
1 1 1  -23   15   26 o   13.160   0.6047   12.940   0.8384   13.370   0.8717 -0.4284000 1.209000 
1 1 1  -23   15   27 o   8.6980   1.2020   8.7040   1.6370   8.6930   1.7610 0.1065000E-01 2.404000 
1 1 1  -23   15   28 o   10.490   0.9541   11.070   1.0600   9.9040   1.5870 1.165000 1.908000 
1 1 1  -23   15   29 o   8.7570   1.0530   7.7590   1.5790   9.7560   1.3930 -1.997000 2.106000 
1 1 1  -23   15   30 o   4.6170   1.2020   5.9140   1.8230   3.3200   1.5670 2.594000 2.404000 
1 1 1  -23   15   31 o   4.8720   1.1710   7.0310   1.8990   2.7130   1.3700 4.318000 2.342000 
1 1 1  -23   15   32 o   4.9610   1.5310   5.2410   2.1020   4.6810   2.2280 0.5599000 3.063000 
1 1 1  -23   15   33 f   4.3360   1.3340   4.0050   1.7230   4.6660   2.0360 -0.6613000 2.667000 
1 1 1  -23   15   34 o   3.0190   1.0290   2.9530   1.4210   3.0850   1.4880 -0.1313000 2.057000 
1 1 1  -23   17    1 o   6.0760   1.2670   6.6250   1.7390   5.5270   1.8420 1.098000 2.533000 
1 1 1  -23   17    2 o   15.410   0.5545   14.760   0.8108   16.060   0.7565 -1.299000 1.109000 
1 1 1  -23   17    3 o   27.010   0.3657   26.980   0.5150   27.040   0.5192 -0.6142000E-01 0.7313000 
1 1 1  -23   17    4 o   15.750   0.5404   15.100   0.7888   16.400   0.7388 -1.306000 1.081000 
1 1 1  -23   17    5 o   16.480   0.5328   15.470   0.7710   17.490   0.7356 -2.016000 1.066000 
1 1 1  -23   17    6 o   21.690   0.4336   21.890   0.5845   21.480   0.6407 0.4048000 0.8672000 
1 1 1  -23   17    7 o   32.310   0.3527   32.140   0.4859   32.470   0.5114 -0.3263000 0.7054000 
1 1 1  -23   17    8 o   32.600   0.3520   32.900   0.4843   32.300   0.5109 0.6023000 0.7040000 
1 1 1  -23   17    9 o   11.610   0.7284   11.550   0.9909   11.680   1.0680 -0.1282000 1.457000 
1 1 1  -23   17   10 o   47.350   0.3664   47.860   0.5126   46.850   0.5236 1.014000 0.7327000 
1 1 1  -23   17   11 o   18.030   0.4769   17.440   0.6642   18.620   0.6845 -1.180000 0.9538000 
1 1 1  -23   17   12 o   6.2290   1.3150   6.3490   1.8570   6.1080   1.8610 0.2410000 2.629000 
1 1 1  -23   17   13 o   25.700   0.4368   25.690   0.5856   25.720   0.6482 -0.2966000E-01 0.8736000 
1 1 1  -23   17   14 o   9.7390   1.0470   8.5170   1.4930   10.960   1.4700 -2.444000 2.095000 
1 1 1  -23   17   15 o   26.950   0.4009   26.380   0.5659   27.520   0.5680 -1.138000 0.8018000 
1 1 1  -23   17   16 o   3.7010   1.1160   3.0170   1.4260   4.3850   1.7170 -1.368000 2.232000 
1 1 1  -23   17   17 o   27.800   0.3518   27.640   0.4882   27.970   0.5066 -0.3354000 0.7035000 
1 1 1  -23   17   18 o   18.440   0.4282   18.440   0.5939   18.440   0.6169 -0.1879000E-02 0.8563000 
1 1 1  -23   17   19 o   11.020   0.6602   10.430   0.9434   11.600   0.9237 -1.173000 1.320000 
1 1 1  -23   17   20 o   6.7770   1.0590   5.1200   1.6630   8.4340   1.3120 -3.314000 2.119000 
1 1 1  -23   17   21 o   14.680   0.6057   13.620   0.9204   15.730   0.7877 -2.114000 1.211000 
1 1 1  -23   17   22 o   10.300   0.8743   9.9480   1.2940   10.660   1.1760 -0.7075000 1.749000 
1 1 1  -23   17   23 o   18.010   0.4579   18.650   0.5984   17.380   0.6933 1.270000 0.9159000 
1 1 1  -23   17   24 f   9.6670   0.8423   10.140   1.0600   9.1910   1.3090 0.9506000 1.685000 
1 1 1  -23   17   25 o   17.120   0.6159   16.150   0.8821   18.090   0.8599 -1.946000 1.232000 
1 1 1  -23   17   26 o   5.5020   1.4710   5.8010   1.9850   5.2030   2.1710 0.5972000 2.942000 
1 1 1  -23   17   27 o   7.8340   1.2930   9.1470   1.2540   6.5210   2.2620 2.626000 2.586000 
1 1 1  -23   17   28 o   7.6860   1.4030   7.1890   1.7090   8.1840   2.2250 -0.9956000 2.805000 
1 1 1  -23   17   29 o   5.1440   1.4120   5.3190   1.8560   4.9680   2.1280 0.3519000 2.824000 
1 1 1  -23   17   30 o   7.5830   1.3370   8.5750   1.5600   6.5910   2.1730 1.984000 2.675000 
1 1 1  -23   17   31 f   4.2230   1.9340  ?   ?    4.2230   1.9340      ?      ? 
1 1 1  -23   17   32 o   4.5670   1.2810   4.9670   1.8540   4.1660   1.7670 0.8014000 2.561000 
1 1 1  -23   17   33 o   1.7150   0.6322   1.6690   0.8702   1.7600   0.9173 -0.9138000E-01 1.264000 
1 1 1  -23   19    1 o   32.660   0.3446   32.530   0.4844   32.790   0.4903 -0.2582000 0.6892000 
1 1 1  -23   19    2 o   25.210   0.3709   24.650   0.5296   25.780   0.5193 -1.129000 0.7417000 
1 1 1  -23   19    3 o   34.890   0.3363   34.850   0.4726   34.920   0.4786 -0.7526000E-01 0.6727000 
1 1 1  -23   19    4 o   23.240   0.3888   23.730   0.5362   22.760   0.5631 0.9702000 0.7776000 
1 1 1  -23   19    5 o   17.010   0.5157   17.800   0.6579   16.220   0.7944 1.578000 1.031000 
1 1 1  -23   19    6 o   21.730   0.4882   22.160   0.6228   21.300   0.7520 0.8590000 0.9764000 
1 1 1  -23   19    7 o   9.9150   1.0070   9.8770   1.2710   9.9540   1.5630 -0.7624000E-01 2.014000 
1 1 1  -23   19    8 o   10.430   1.0410   8.4380   1.4770   12.420   1.4680 -3.979000 2.083000 
1 1 1  -23   19    9 o   23.960   0.4598   24.240   0.5898   23.690   0.7057 0.5508000 0.9197000 
1 1 1  -23   19   10 o   22.050   0.4653   22.120   0.6094   21.980   0.7032 0.1425000 0.9305000 
1 1 1  -23   19   11 o   8.5400   1.1170   8.4150   1.5640   8.6660   1.5950 -0.2505000 2.234000 
1 1 1  -23   19   12 o   18.320   0.5108   17.660   0.7239   18.990   0.7209 -1.325000 1.022000 
1 1 1  -23   19   13 o   16.000   0.5606   15.880   0.7633   16.120   0.8212 -0.2404000 1.121000 
1 1 1  -23   19   14 o   4.6500   1.2090   5.1030   1.7170   4.1980   1.7020 0.9053000 2.418000 
1 1 1  -23   19   15 o   24.390   0.3707   24.190   0.5184   24.580   0.5299 -0.3966000 0.7414000 
1 1 1  -23   19   16 o   12.470   0.6263   11.910   0.8939   13.030   0.8774 -1.118000 1.253000 
1 1 1  -23   19   17 f   3.2690   1.0480   2.8820   1.3580   3.6560   1.5970 -0.7735000 2.096000 
1 1 1  -23   19   18 o   9.8810   0.8046   10.230   1.0200   9.5350   1.2440 0.6932000 1.609000 
1 1 1  -23   19   19 o   11.920   0.7755   12.260   1.0320   11.570   1.1580 0.6913000 1.551000 
1 1 1  -23   19   20 o   13.160   0.7031   12.370   1.0170   13.950   0.9707 -1.572000 1.406000 
1 1 1  -23   19   21 o   7.0490   1.1490   6.5830   1.6240   7.5150   1.6250 -0.9324000 2.297000 
1 1 1  -23   19   22 o   16.720   0.6076   17.240   0.6863   16.190   1.0030 1.047000 1.215000 
1 1 1  -23   19   23 o   13.610   1.0530   13.340   1.1280   13.880   1.7770 -0.5352000 2.105000 
1 1 1  -23   19   24 o   4.2660   1.3680   4.1980   1.8210   4.3350   2.0420 -0.1365000 2.736000 
1 1 1  -23   19   25 o   15.340   0.7195   15.460   0.7840   15.220   1.2070 0.2404000 1.439000 
1 1 1  -23   19   26 o   4.9820   1.2750   5.9130   1.8350   4.0520   1.7710 1.861000 2.550000 
1 1 1  -23   19   27 o   7.8210   1.1830   7.3280   1.6800   8.3130   1.6670 -0.9848000 2.367000 
1 1 1  -23   19   28 o   6.4620   1.3340   5.8710   1.8850   7.0520   1.8880 -1.182000 2.668000 
1 1 1  -23   19   29 o   4.2960   1.3620   3.4090   1.6340   5.1830   2.1800 -1.773000 2.725000 
1 1 1  -23   19   30 o   2.8140   0.9789   3.1300   1.4990   2.4980   1.2590 0.6319000 1.958000 
1 1 1  -23   19   31 o   2.6370   0.9200   2.7540   1.3460   2.5200   1.2540 0.2346000 1.840000 
1 1 1  -23   21    1 f   40.970   0.3973   41.220   0.5648   40.720   0.5590 0.5021000 0.7946000 
1 1 1  -23   21    2 o   7.4240   1.2020   8.7030   1.5180   6.1450   1.8630 2.558000 2.403000 
1 1 1  -23   21    3 o   7.9770   1.2260   8.7990   1.4560   7.1550   1.9720 1.644000 2.451000 
1 1 1  -23   21    4 o   14.490   0.6226   14.880   0.8791   14.100   0.8818 0.7853000 1.245000 
1 1 1  -23   21    5 o   10.130   0.9271   9.3710   1.3730   10.890   1.2460 -1.520000 1.854000 
1 1 1  -23   21    6 o   17.440   0.5645   17.820   0.7597   17.060   0.8351 0.7573000 1.129000 
1 1 1  -23   21    7 f   27.820   0.4197   27.970   0.5746   27.660   0.6119 0.3138000 0.8394000 
1 1 1  -23   21    8 o   26.290   0.4218   25.860   0.5838   26.710   0.6089 -0.8463000 0.8436000 
1 1 1  -23   21    9 o   21.740   0.4364   21.710   0.6424   21.770   0.5907 -0.6021000E-01 0.8727000 
1 1 1  -23   21   10 o   14.140   0.5498   13.950   0.7446   14.330   0.8092 -0.3807000 1.100000 
1 1 1  -23   21   11 o   3.8120   1.1360   3.6250   1.5470   3.9990   1.6640 -0.3741000 2.272000 
1 1 1  -23   21   12 o   13.760   0.5579   12.950   0.7707   14.570   0.8069 -1.626000 1.116000 
1 1 1  -23   21   13 o   9.8090   0.7885   9.8810   1.0190   9.7380   1.2040 0.1427000 1.577000 
1 1 1  -23   21   14 o   19.630   0.4165   19.480   0.5501   19.790   0.6256 -0.3148000 0.8330000 
1 1 1  -23   21   15 o   17.810   0.4644   17.770   0.6017   17.860   0.7075 -0.9391000E-01 0.9288000 
1 1 1  -23   21   16 o   22.280   0.4356   21.550   0.5668   23.020   0.6616 -1.467000 0.8712000 
1 1 1  -23   21   17 o   7.0780   1.3360   7.1540   1.7660   7.0030   2.0050 0.1511000 2.672000 
1 1 1  -23   21   18 o   4.4810   1.2690   5.3270   1.8860   3.6340   1.6970 1.693000 2.537000 
1 1 1  -23   21   19 o   8.9550   1.1100   8.2120   1.4150   9.6980   1.7110 -1.486000 2.220000 
1 1 1  -23   21   20 o   4.8810   1.3480   3.7540   1.6380   6.0070   2.1410 -2.254000 2.696000 
1 1 1  -23   21   21 o   4.1730   1.3010   3.7990   1.7470   4.5480   1.9280 -0.7490000 2.602000 
1 1 1  -23   21   22 o   5.6100   1.4580   5.4570   2.0180   5.7640   2.1040 -0.3070000 2.916000 
1 1 1  -23   21   23 o   8.5360   1.0940   7.4500   1.6620   9.6220   1.4230 -2.172000 2.188000 
1 1 1  -23   21   24 o   4.8050   1.3150   4.9860   1.8660   4.6240   1.8540 0.3626000 2.630000 
1 1 1  -23   21   25 o   7.4630   1.2080   5.5490   1.9030   9.3760   1.4880 -3.827000 2.415000 
1 1 1  -23   21   26 o   9.4270   1.0320   10.840   1.1900   8.0160   1.6850 2.822000 2.063000 
1 1 1  -23   21   27 o   8.4350   1.3740   6.6290   2.2890   10.240   1.5220 -3.613000 2.749000 
1 1 1  -23   21   28 o   3.3220   1.1390   3.2570   1.5690   3.3870   1.6520 -0.1307000 2.278000 
1 1 1  -23   21   29 o   3.1230   1.0440   3.4640   1.5830   2.7830   1.3620 0.6808000 2.088000 
1 1 1  -23   21   30 o   2.6710   0.9491   2.6780   1.3300   2.6640   1.3550 0.1386000E-01 1.898000 
1 1 1  -23   23    1 o   21.660   0.3909   21.610   0.5438   21.710   0.5616 -0.1029000 0.7817000 
1 1 1  -23   23    2 o   18.130   0.4456   17.950   0.6207   18.300   0.6394 -0.3545000 0.8911000 
1 1 1  -23   23    3 o   19.310   0.4169   19.000   0.5830   19.620   0.5961 -0.6192000 0.8338000 
1 1 1  -23   23    4 o   26.070   0.3521   26.150   0.4899   26.000   0.5059 0.1497000 0.7043000 
1 1 1  -23   23    5 o   16.570   0.4903   15.990   0.6761   17.150   0.7104 -1.154000 0.9807000 
1 1 1  -23   23    6 o   4.1280   1.1420   4.9200   1.6990   3.3370   1.5270 1.582000 2.284000 
1 1 1  -23   23    7 o   9.5870   0.8369   9.4300   1.1310   9.7430   1.2340 -0.3131000 1.674000 
1 1 1  -23   23    8 o   8.2750   0.9781   8.3210   1.2830   8.2290   1.4770 0.9113000E-01 1.956000 
1 1 1  -23   23    9 o   9.3240   0.8851   8.4220   1.2880   10.230   1.2140 -1.805000 1.770000 
1 1 1  -23   23   10 o   5.1600   1.3350   4.5170   1.6750   5.8020   2.0780 -1.285000 2.669000 
1 1 1  -23   23   11 o   13.980   0.7022   14.660   0.7382   13.310   1.1950 1.353000 1.404000 
1 1 1  -23   23   12 o   11.200   0.8530   11.010   0.9657   11.400   1.4060 -0.3943000 1.706000 
1 1 1  -23   23   13 f   9.1510   1.0790   10.160   1.0500   8.1410   1.8850 2.020000 2.158000 
1 1 1  -23   23   14 o   10.360   0.9770   10.480   1.1810   10.240   1.5570 0.2413000 1.954000 
1 1 1  -23   23   15 o   7.8090   1.2400   7.9470   1.5440   7.6720   1.9410 0.2746000 2.480000 
1 1 1  -23   23   16 o   17.020   0.5207   17.410   0.6705   16.630   0.7969 0.7827000 1.041000 
1 1 1  -23   23   17 o   5.8190   1.1520   3.6450   1.6000   7.9930   1.6560 -4.349000 2.303000 
1 1 1  -23   23   18 o   7.0820   1.4290   8.2280   1.9210   5.9370   2.1170 2.291000 2.859000 
1 1 1  -23   23   19 o   8.3520   1.3060   6.5300   2.0990   10.170   1.5540 -3.644000 2.611000 
1 1 1  -23   23   20 o   11.530   0.7924   11.500   1.1020   11.560   1.1390 -0.6371000E-01 1.585000 
1 1 1  -23   23   21 o   3.6800   1.1710   3.6870   1.6340   3.6740   1.6760 0.1302000E-01 2.341000 
1 1 1  -23   23   22 o   12.760   0.7849   14.180   0.9192   11.350   1.2730 2.823000 1.570000 
1 1 1  -23   23   23 o   3.8050   1.2050   3.4900   1.6040   4.1190   1.7990 -0.6287000 2.411000 
1 1 1  -23   23   24 o   5.9650   1.3490   5.0190   1.8900   6.9100   1.9260 -1.891000 2.698000 
1 1 1  -23   23   25 o   10.180   1.1750   13.740   1.1020   6.6170   2.0750 7.119000 2.349000 
1 1 1  -23   23   26 o   7.3450   1.3650   7.5110   1.8740   7.1780   1.9850 0.3330000 2.730000 
1 1 1  -23   23   27 o   4.0820   1.2550   3.6760   1.6560   4.4890   1.8860 -0.8139000 2.510000 
1 1 1  -23   23   28 o   1.9830   0.7250   1.7040   0.8790   2.2630   1.1530 -0.5593000 1.450000 
1 1 1  -23   25    1 o   11.420   0.7816   11.760   0.9518   11.070   1.2400 0.6954000 1.563000 
1 1 1  -23   25    2 o   17.220   0.6114   17.560   0.6707   16.880   1.0220 0.6809000 1.223000 
1 1 1  -23   25    3 o   11.700   0.8309   10.230   1.0910   13.170   1.2540 -2.947000 1.662000 
1 1 1  -23   25    4 o   11.550   0.8666   11.830   0.9433   11.260   1.4540 0.5734000 1.733000 
1 1 1  -23   25    5 o   14.330   0.7059   14.430   0.7781   14.230   1.1780 0.2025000 1.412000 
1 1 1  -23   25    6 o   35.290   0.4263   35.080   0.4817   35.490   0.7036 -0.4158000 0.8527000 
1 1 1  -23   25    7 o   32.000   0.4599   32.520   0.5631   31.490   0.7273 1.034000 0.9198000 
1 1 1  -23   25    8 o   20.890   0.5649   21.710   0.6501   20.070   0.9240 1.635000 1.130000 
1 1 1  -23   25    9 o   21.400   0.4883   21.280   0.6595   21.510   0.7203 -0.2307000 0.9766000 
1 1 1  -23   25   10 o   9.2400   1.0850   10.250   1.2710   8.2250   1.7580 2.030000 2.169000 
1 1 1  -23   25   11 o   4.8430   1.2980   3.8970   1.6960   5.7880   1.9670 -1.891000 2.597000 
1 1 1  -23   25   12 o   13.920   0.6317   13.130   0.8907   14.710   0.8960 -1.580000 1.263000 
1 1 1  -23   25   13 o   12.110   0.8731   13.210   1.0540   11.010   1.3920 2.196000 1.746000 
1 1 1  -23   25   14 o   4.7230   1.3440   5.0730   1.9180   4.3720   1.8830 0.7011000 2.687000 
1 1 1  -23   25   15 o   4.6000   1.3500   4.5060   1.8610   4.6940   1.9580 -0.1885000 2.701000 
1 1 1  -23   25   16 o   7.7000   1.1380   6.6330   1.7430   8.7660   1.4640 -2.133000 2.276000 
1 1 1  -23   25   17 o   3.5830   1.1400   3.2110   1.4960   3.9540   1.7220 -0.7434000 2.281000 
1 1 1  -23   25   18 o   6.5800   1.3380   5.4920   1.9780   7.6670   1.8020 -2.175000 2.675000 
1 1 1  -23   25   19 o   4.7650   1.3080   5.1380   1.8520   4.3910   1.8460 0.7470000 2.615000 
1 1 1  -23   25   20 o   4.6660   1.2560   5.7950   1.9150   3.5360   1.6280 2.260000 2.513000 
1 1 1  -23   25   21 o   8.0300   1.2140   7.1410   1.8510   8.9190   1.5710 -1.778000 2.428000 
1 1 1  -23   25   22 o   3.3600   1.1260   2.9200   1.4330   3.8000   1.7380 -0.8801000 2.253000 
1 1 1  -23   25   23 o   3.9300   1.2450   3.5120   1.6390   4.3470   1.8740 -0.8350000 2.489000 
1 1 1  -23   25   24 o   3.2700   1.1010   2.7890   1.3750   3.7510   1.7200 -0.9617000 2.202000 
1 1 1  -23   25   25 o   2.6340   0.9290   2.5610   1.2800   2.7070   1.3470 -0.1467000 1.858000 
1 1 1  -23   25   26 o   2.4150   0.8735   2.2580   1.1610   2.5730   1.3060 -0.3155000 1.747000 
1 1 1  -23   27    1 o   6.3580   1.3370   7.3020   1.8530   5.4140   1.9290 1.888000 2.674000 
1 1 1  -23   27    2 o   6.4380   1.3370   7.1530   1.8570   5.7240   1.9240 1.430000 2.674000 
1 1 1  -23   27    3 o   12.320   0.7769   11.870   1.1430   12.770   1.0530 -0.8981000 1.554000 
1 1 1  -23   27    4 o   14.940   0.6531   15.090   0.9230   14.790   0.9242 0.3016000 1.306000 
1 1 1  -23   27    5 o   9.3050   1.1180   10.850   1.2400   7.7650   1.8600 3.081000 2.235000 
1 1 1  -23   27    6 o   21.040   0.5173   20.650   0.7220   21.430   0.7410 -0.7795000 1.035000 
1 1 1  -23   27    7 o   6.4250   1.3160   7.7120   1.7580   5.1370   1.9580 2.575000 2.631000 
1 1 1  -23   27    8 o   5.6150   1.3770   4.6610   1.8780   6.5700   2.0130 -1.909000 2.753000 
1 1 1  -23   27    9 o   11.130   0.9375   10.780   1.3250   11.480   1.3270 -0.7063000 1.875000 
1 1 1  -23   27   10 o   10.570   0.8301   10.980   1.0650   10.160   1.2740 0.8152000 1.660000 
1 1 1  -23   27   11 o   3.7400   1.1580   3.2830   1.5120   4.1970   1.7540 -0.9134000 2.315000 
1 1 1  -23   27   12 o   5.4230   1.3050   5.0780   1.8040   5.7670   1.8860 -0.6898000 2.609000 
1 1 1  -23   27   13 o   4.0640   1.2200   4.1920   1.7280   3.9370   1.7240 0.2550000 2.441000 
1 1 1  -23   27   14 o   11.770   0.7762   11.560   1.0840   11.980   1.1110 -0.4188000 1.552000 
1 1 1  -23   27   15 f   6.1330   1.2060   7.8630   1.5870   4.4030   1.8160 3.459000 2.412000 
1 1 1  -23   27   16 o   4.4730   1.2700   4.9600   1.8460   3.9850   1.7440 0.9759000 2.540000 
1 1 1  -23   27   17 o   11.370   0.8408   9.9690   1.3030   12.770   1.0630 -2.797000 1.682000 
1 1 1  -23   27   18 o   4.9310   1.2620   6.1390   1.8840   3.7220   1.6810 2.417000 2.525000 
1 1 1  -23   27   19 o   4.6240   1.3500   4.9510   1.9580   4.2960   1.8590 0.6550000 2.700000 
1 1 1  -23   27   20 o   2.7450   0.9629   2.8460   1.4010   2.6430   1.3220 0.2025000 1.926000 
1 1 1  -23   27   21 o   2.7910   0.9629   2.3060   1.1600   3.2750   1.5370 -0.9687000 1.926000 
1 1 1  -23   27   22 o   3.9880   1.2400   4.4410   1.8510   3.5350   1.6490 0.9060000 2.479000 
1 1 1  -23   27   23 f   2.9570   1.0170   2.5990   1.2900   3.3160   1.5720 -0.7169000 2.033000 
1 1 1  -23   29    1 o   4.6010   1.2260   3.3640   1.5490   5.8390   1.8990 -2.474000 2.451000 
1 1 1  -23   29    2 o   5.6320   1.3100   5.2960   1.8470   5.9670   1.8590 -0.6707000 2.621000 
1 1 1  -23   29    3 o   4.9280   1.2260   6.1780   1.8210   3.6790   1.6420 2.499000 2.452000 
1 1 1  -23   29    4 o   8.3850   1.0710   8.6330   1.4480   8.1380   1.5780 0.4954000 2.142000 
1 1 1  -23   29    5 o   12.270   0.7376   13.210   0.9295   11.340   1.1460 1.871000 1.475000 
1 1 1  -23   29    6 o   3.8520   1.1910   3.8250   1.6690   3.8790   1.6990 -0.5337000E-01 2.382000 
1 1 1  -23   29    7 o   9.2290   0.9966   8.4240   1.4930   10.030   1.3210 -1.610000 1.993000 
1 1 1  -23   29    8 o   16.260   0.5693   16.190   0.7843   16.330   0.8254 -0.1405000 1.139000 
1 1 1  -23   29    9 o   2.8470   0.9786   2.6930   1.3210   3.0010   1.4440 -0.3078000 1.957000 
1 1 1  -23   29   10 o   8.7440   1.0590   8.7910   1.4340   8.6960   1.5580 0.9520000E-01 2.118000 
1 1 1  -23   29   11 o   12.880   0.7150   13.310   0.9690   12.450   1.0520 0.8670000 1.430000 
1 1 1  -23   29   12 o   16.560   0.5758   16.830   0.7940   16.300   0.8342 0.5315000 1.152000 
1 1 1  -23   29   13 o   9.0320   1.0240   9.1050   1.4010   8.9590   1.4930 0.1459000 2.047000 
1 1 1  -23   29   14 o   4.4870   1.2810   5.5180   1.9800   3.4560   1.6270 2.062000 2.563000 
1 1 1  -23   29   15 o   5.4750   1.3630   6.4300   1.9580   4.5200   1.8960 1.910000 2.725000 
1 1 1  -23   29   16 o   4.6390   1.3250   5.2320   1.9570   4.0450   1.7880 1.187000 2.651000 
1 1 1  -23   29   17 o   2.8770   0.9854   2.9380   1.4130   2.8150   1.3740 0.1232000 1.971000 
1 1 1  -23   29   18 o   7.8320   1.1650   8.9330   1.4240   6.7320   1.8440 2.201000 2.330000 
1 1 1  -23   29   19 o   2.5920   0.9129   2.7750   1.3630   2.4100   1.2150 0.3650000 1.826000 
1 1 1  -23   29   20 o   2.6350   0.9305   2.9560   1.4370   2.3130   1.1830 0.6428000 1.861000 
1 1 1  -23   31    1 o   13.280   0.8232   12.120   1.2300   14.450   1.0940 -2.330000 1.646000 
1 1 1  -23   31    2 o   6.4650   1.4310   6.6150   1.9850   6.3150   2.0620 0.3001000 2.862000 
1 1 1  -23   31    3 o   6.1520   1.4350   6.3040   2.0090   5.9990   2.0500 0.3046000 2.870000 
1 1 1  -23   31    4 o   4.8940   1.2700   6.4420   1.9450   3.3450   1.6340 3.097000 2.540000 
1 1 1  -23   31    5 o   7.9490   1.2880   8.9200   1.6430   6.9790   1.9830 1.941000 2.575000 
1 1 1  -23   31    6 f   10.070   1.0690   11.370   1.2720   8.7710   1.7190 2.602000 2.138000 
1 1 1  -23   31    7 o   8.6980   1.2160   10.050   1.4540   7.3450   1.9490 2.707000 2.432000 
1 1 1  -23   31    8 o   11.400   0.9751   13.250   1.1140   9.5520   1.6000 3.695000 1.950000 
1 1 1  -23   31    9 o   5.9960   1.3160   7.5060   1.8290   4.4870   1.8910 3.019000 2.631000 
1 1 1  -23   31   10 o   3.4100   1.1120   2.4190   1.2190   4.4010   1.8610 -1.982000 2.225000 
1 1 1  -23   31   11 o   6.6300   1.2850   7.1810   1.7410   6.0790   1.8900 1.102000 2.570000 
1 1 1  -23   31   12 o   2.5760   0.9006   2.8460   1.3770   2.3070   1.1600 0.5390000 1.801000 
1 1 1  -23   31   13 o   6.8010   1.2550   7.6320   1.6630   5.9690   1.8800 1.662000 2.511000 
1 1 1  -23   31   14 o   4.6890   1.3270   4.0190   1.7690   5.3590   1.9780 -1.339000 2.654000 
1 1 1  -23   31   15 o   5.1270   1.3860   5.1750   1.9420   5.0780   1.9770 0.9718000E-01 2.772000 
1 1 1  -23   33    1 o   2.8440   0.9899   2.9310   1.4310   2.7580   1.3690 0.1727000 1.980000 
1 1 1  -23   33    2 o   3.0000   1.0340   2.7640   1.3670   3.2350   1.5520 -0.4714000 2.069000 
1 1 1  -23   33    3 o   2.9760   1.0250   2.5930   1.2960   3.3580   1.5880 -0.7648000 2.050000 
1 1 1  -23   33    4 o   2.1220   0.7672   2.0480   1.0500   2.1960   1.1190 -0.1476000 1.534000 
1 1 1  -23   33    5 o   7.5450   1.3380   8.5560   1.7470   6.5350   2.0270 2.021000 2.675000 
1 1 1  -23   33    6 o   2.5860   0.9151   2.4370   1.2270   2.7350   1.3580 -0.2986000 1.830000 
1 1 1  -23   33    7 o   3.3320   1.1030   3.9190   1.7370   2.7450   1.3590 1.174000 2.206000 
1 1 1  -23   33    8 o   2.2860   0.8194   2.3270   1.1770   2.2440   1.1400 0.8378000E-01 1.639000 
1 1 1  -23   33    9 o   2.3770   0.8537   2.2320   1.1330   2.5220   1.2780 -0.2899000 1.707000 
1 1 1  -22    0    1 o   76.620   0.7908   76.620   0.7908   76.620   0.7908 0.000000 0.000000 
1 1 1  -22    0    2 o   41.720   0.3845   41.720   0.3845   41.720   0.3845 -0.000000 0.000000 
1 1 1  -22    0    3 o   54.970   0.4951   54.970   0.4951   54.970   0.4951 -0.000000 0.000000 
1 1 1  -22    0    4 f  121.300   1.0790  121.300   1.0790  121.300   1.0790 0.000000 0.000000 
1 1 1  -22    0    5 o   3.2210   1.2660   3.2210   1.2660   3.2210   1.2660 0.000000 0.000000 
1 1 1  -22    0    6 o   71.910   0.9121   71.910   0.9121   71.910   0.9121 -0.000000 0.000000 
1 1 1  -22    0    7 o   70.670   0.6340   70.670   0.6340   70.670   0.6340 -0.000000 0.000000 
1 1 1  -22    0    8 o   39.130   0.3703   39.130   0.3703   39.130   0.3703 -0.000000 0.000000 
1 1 1  -22    0    9 o   20.670   0.2800   20.670   0.2800   20.670   0.2800 -0.000000 0.000000 
1 1 1  -22    0   10 o   45.560   0.4256   45.560   0.4256   45.560   0.4256 -0.000000 0.000000 
1 1 1  -22    0   11 o   88.960   0.7963   88.960   0.7963   88.960   0.7963 0.000000 0.000000 
1 1 1  -22    0   12 o   48.420   0.6405   48.420   0.6405   48.420   0.6405 0.000000 0.000000 
1 1 1  -22    0   13 o  127.900   1.1400  127.900   1.1400  127.900   1.1400 -0.000000 0.000000 
1 1 1  -22    0   14 f   94.020   0.8434   94.020   0.8434   94.020   0.8434 0.000000 0.000000 
1 1 1  -22    0   15 o   96.310   0.8646   96.310   0.8646   96.310   0.8646 0.000000 0.000000 
1 1 1  -22    0   16 o   63.660   0.5902   63.660   0.5902   63.660   0.5902 0.000000 0.000000 
1 1 1  -22    0   17 o   1.3180   0.9649   1.3180   0.9649   1.3180   0.9649 0.000000 0.000000 
1 1 1  -22    0   18 o   61.290   0.5780   61.290   0.5780   61.290   0.5780 0.000000 0.000000 
1 1 1  -22    0   19 o   51.170   0.5082   51.170   0.5082   51.170   0.5082 -0.000000 0.000000 
1 1 1  -22    0   20 o   3.5540   1.9100   3.5540   1.9100   3.5540   1.9100 -0.000000 0.000000 
1 1 1  -22    0   21 o   10.100   1.2780   10.100   1.2780   10.100   1.2780 -0.000000 0.000000 
1 1 1  -22    0   22 o   15.970   0.6344   15.970   0.6344   15.970   0.6344 -0.000000 0.000000 
1 1 1  -22    0   23 o   33.640   0.4425   33.640   0.4425   33.640   0.4425 0.000000 0.000000 
1 1 1  -22    0   24 o   12.690   0.7403   12.690   0.7403   12.690   0.7403 0.000000 0.000000 
1 1 1  -22    0   25 o   5.7910   1.8330   5.7910   1.8330   5.7910   1.8330 -0.000000 0.000000 
1 1 1  -22    0   26 o   12.500   1.0980   12.500   1.0980   12.500   1.0980 -0.000000 0.000000 
1 1 1  -22    0   27 o   22.780   0.4646   22.780   0.4646   22.780   0.4646 0.000000 0.000000 
1 1 1  -22    0   28 o   38.300   0.4541   38.300   0.4541   38.300   0.4541 -0.000000 0.000000 
1 1 1  -22    0   29 o   2.6290   1.6600   2.6290   1.6600   2.6290   1.6600 -0.000000 0.000000 
1 1 1  -22    0   30 o   7.4950   1.5140   7.4950   1.5140   7.4950   1.5140 -0.000000 0.000000 
1 1 1  -22    0   31 o   13.580   1.1560   13.580   1.1560   13.580   1.1560 -0.000000 0.000000 
1 1 1  -22    0   32 o   2.9780   1.9770   2.9780   1.9770   2.9780   1.9770 -0.000000 0.000000 
1 1 1  -22    0   33 o   5.2840   2.9920   5.2840   2.9920   5.2840   2.9920 0.000000 0.000000 
1 1 1  -22    0   34 o   5.8150   2.8240   5.8150   2.8240   5.8150   2.8240 0.000000 0.000000 
1 1 1  -22    0   35 o   3.6150   2.1400   3.6150   2.1400   3.6150   2.1400 0.000000 0.000000 
1 1 1  -22    0   36 o   2.5540   1.7270   2.5540   1.7270   2.5540   1.7270 0.000000 0.000000 
1 1 1  -22    0   37 o   2.4310   1.7390   2.4310   1.7390   2.4310   1.7390 0.000000 0.000000 
1 1 1  -22    2    1 o   22.900   0.1845   23.080   0.2612   22.710   0.2608 0.3671000 0.3691000 
1 1 1  -22    2    2 o   30.910   0.4579   30.860   0.6434   30.960   0.6517 -0.9763000E-01 0.9158000 
1 1 1  -22    2    3 o   17.920   0.4335   17.640   0.6073   18.200   0.6188 -0.5619000 0.8670000 
1 1 1  -22    2    4 o   58.160   0.4017   58.440   0.6106   57.880   0.5221 0.5569000 0.8034000 
1 1 1  -22    2    5 o   35.910   0.2405   36.150   0.3426   35.680   0.3375 0.4699000 0.4809000 
1 1 1  -22    2    6 o   7.3580   0.3086   7.3550   0.4504   7.3620   0.4219 -0.6913000E-02 0.6171000 
1 1 1  -22    2    7 o   21.030   0.2216   21.110   0.3097   20.950   0.3172 0.1566000 0.4433000 
1 1 1  -22    2    8 o   40.090   0.2682   40.110   0.3794   40.060   0.3792 0.5051000E-01 0.5364000 
1 1 1  -22    2    9 o   38.350   0.2609   38.290   0.3684   38.420   0.3695 -0.1209000 0.5217000 
1 1 1  -22    2   10 o   62.020   0.3981   61.910   0.5623   62.120   0.5638 -0.2094000 0.7963000 
1 1 1  -22    2   11 o   57.950   0.4326   57.800   0.6106   58.100   0.6130 -0.3001000 0.8652000 
1 1 1  -22    2   12 f  108.500   0.7928  108.300   1.1190  108.800   1.1230 -0.5163000 1.586000 
1 1 1  -22    2   13 o   77.180   0.5700   77.260   0.8074   77.100   0.8047 0.1639000 1.140000 
1 1 1  -22    2   14 o   73.520   0.5106   74.490   0.7795   72.560   0.6599 1.927000 1.021000 
1 1 1  -22    2   15 o   60.710   0.3978   60.520   0.5611   60.900   0.5640 -0.3789000 0.7956000 
1 1 1  -22    2   16 o   62.160   0.4087   62.330   0.5798   61.980   0.5762 0.3463000 0.8174000 
1 1 1  -22    2   17 o   52.130   0.3587   51.980   0.5066   52.270   0.5081 -0.2865000 0.7175000 
1 1 1  -22    2   18 o   25.410   0.3059   25.300   0.4407   25.510   0.4243 -0.2153000 0.6118000 
1 1 1  -22    2   19 o   29.910   0.3046   30.280   0.4331   29.540   0.4285 0.7444000 0.6093000 
1 1 1  -22    2   20 o   10.950   0.7050   10.830   1.0430   11.080   0.9489 -0.2512000 1.410000 
1 1 1  -22    2   21 o   50.190   0.4592   50.480   0.5865   49.910   0.7068 0.5706000 0.9184000 
1 1 1  -22    2   22 o   4.1960   1.0490   3.0200   1.3800   5.3720   1.5810 -2.352000 2.099000 
1 1 1  -22    2   23 o   6.9940   0.9468   8.1550   1.1200   5.8320   1.5270 2.323000 1.894000 
1 1 1  -22    2   24 o   16.530   0.4144   16.290   0.5997   16.760   0.5721 -0.4730000 0.8288000 
1 1 1  -22    2   25 o   35.950   0.3639   36.160   0.5067   35.740   0.5224 0.4161000 0.7278000 
1 1 1  -22    2   26 o   11.110   0.7086   11.660   1.0050   10.550   0.9987 1.108000 1.417000 
1 1 1  -22    2   27 o   12.090   0.6516   11.700   1.0700   12.480   0.7433 -0.7793000 1.303000 
1 1 1  -22    2   28 o   7.3830   1.1010   6.3060   1.9010   8.4600   1.1110 -2.154000 2.202000 
1 1 1  -22    2   29 o   4.8420   1.2660   5.2950   1.9350   4.3890   1.6320 0.9061000 2.532000 
1 1 1  -22    2   30 o   13.200   0.6596   12.590   1.0890   13.800   0.7440 -1.207000 1.319000 
1 1 1  -22    2   31 o   8.5410   0.9002   8.5910   1.2840   8.4920   1.2620 0.9959000E-01 1.800000 
1 1 1  -22    2   32 o   20.400   0.4242   20.800   0.5885   20.000   0.6111 0.7952000 0.8484000 
1 1 1  -22    2   33 o   9.9920   1.0380   10.130   1.4570   9.8580   1.4780 0.2693000 2.076000 
1 1 1  -22    2   34 o   8.9530   1.1690   8.8180   1.6350   9.0870   1.6700 -0.2690000 2.337000 
1 1 1  -22    2   35 o   13.260   0.9028   13.320   1.0040   13.210   1.5010 0.1074000 1.806000 
1 1 1  -22    2   36 o   3.3450   1.1210   3.6880   1.6640   3.0030   1.5010 0.6853000 2.241000 
1 1 1  -22    2   37 o   5.5910   1.4210   6.8910   2.0440   4.2900   1.9740 2.600000 2.841000 
1 1 1  -22    4    1 o   50.950   0.3802   51.090   0.5425   50.810   0.5329 0.2824000 0.7605000 
1 1 1  -22    4    2 o   55.840   0.5138   55.630   0.7234   56.060   0.7300 -0.4333000 1.028000 
1 1 1  -22    4    3 o   51.330   0.4766   50.810   0.6671   51.850   0.6810 -1.039000 0.9533000 
1 1 1  -22    4    4 o   31.840   0.2431   31.140   0.3643   32.540   0.3220 -1.408000 0.4862000 
1 1 1  -22    4    5 o   52.770   0.3408   53.040   0.4840   52.510   0.4800 0.5354000 0.6816000 
1 1 1  -22    4    6 o   67.720   0.4316   68.370   0.6159   67.070   0.6047 1.300000 0.8631000 
1 1 1  -22    4    7 o   67.370   0.4977   67.230   0.7020   67.510   0.7057 -0.2780000 0.9954000 
1 1 1  -22    4    8 o   41.950   0.2826   42.050   0.4000   41.850   0.3992 0.2056000 0.5651000 
1 1 1  -22    4    9 o   25.200   0.2999   24.200   0.4129   26.200   0.4350 -1.992000 0.5998000 
1 1 1  -22    4   10 o   44.000   0.3404   43.970   0.4820   44.040   0.4809 -0.6591000E-01 0.6809000 
1 1 1  -22    4   11 o   42.800   0.2935   42.910   0.4164   42.680   0.4137 0.2318000 0.5870000 
1 1 1  -22    4   12 o   49.700   0.3849   50.130   0.5502   49.270   0.5384 0.8654000 0.7698000 
1 1 1  -22    4   13 o   67.210   0.5027   67.660   0.7162   66.770   0.7058 0.8930000 1.005000 
1 1 1  -22    4   14 f   52.300   0.3505   52.180   0.4947   52.420   0.4965 -0.2449000 0.7009000 
1 1 1  -22    4   15 o   22.970   0.2788   23.020   0.3923   22.930   0.3963 0.9165000E-01 0.5576000 
1 1 1  -22    4   16 o   8.6040   0.6814   8.9280   0.9292   8.2810   0.9968 0.6465000 1.363000 
1 1 1  -22    4   17 o   38.740   0.3074   39.000   0.4370   38.480   0.4324 0.5141000 0.6148000 
1 1 1  -22    4   18 o   47.640   0.3433   47.860   0.4879   47.420   0.4832 0.4454000 0.6866000 
1 1 1  -22    4   19 o   29.230   0.3612   29.770   0.5191   28.700   0.5023 1.071000 0.7224000 
1 1 1  -22    4   20 o   4.9930   1.2630   4.9120   1.7970   5.0730   1.7760 -0.1614000 2.526000 
1 1 1  -22    4   21 o   25.910   0.4141   25.130   0.5151   26.680   0.6487 -1.552000 0.8283000 
1 1 1  -22    4   22 o   9.1050   0.8898   9.4750   1.3950   8.7360   1.1050 0.7387000 1.780000 
1 1 1  -22    4   23 o   27.880   0.3751   28.000   0.6072   27.770   0.4405 0.2268000 0.7501000 
1 1 1  -22    4   24 o   27.950   0.3926   27.380   0.6465   28.520   0.4457 -1.135000 0.7852000 
1 1 1  -22    4   25 o   32.310   0.4822   32.530   0.8171   32.090   0.5122 0.4404000 0.9644000 
1 1 1  -22    4   26 o   25.020   0.4045   24.760   0.6180   25.280   0.5220 -0.5284000 0.8090000 
1 1 1  -22    4   27 o   11.890   0.5497   11.370   0.8069   12.400   0.7468 -1.027000 1.099000 
1 1 1  -22    4   28 o   3.0520   0.9652   2.4830   1.2030   3.6200   1.5100 -1.137000 1.930000 
1 1 1  -22    4   29 o   13.590   0.5185   13.750   0.7122   13.430   0.7539 0.3265000 1.037000 
1 1 1  -22    4   30 o   12.250   0.6024   12.790   0.7977   11.700   0.9029 1.089000 1.205000 
1 1 1  -22    4   31 o   17.910   0.4466   18.060   0.6241   17.770   0.6391 0.2880000 0.8933000 
1 1 1  -22    4   32 o   18.120   0.4866   18.370   0.6862   17.880   0.6901 0.4837000 0.9732000 
1 1 1  -22    4   33 o   5.5320   1.3540   4.5800   1.8830   6.4850   1.9470 -1.904000 2.708000 
1 1 1  -22    4   34 o   8.2090   1.3010   8.7210   1.6790   7.6980   1.9880 1.022000 2.603000 
1 1 1  -22    4   35 o   4.3300   1.2620   3.8880   1.6890   4.7720   1.8750 -0.8844000 2.523000 
1 1 1  -22    4   36 o   3.5800   1.1490   3.3000   1.5470   3.8600   1.7000 -0.5596000 2.299000 
1 1 1  -22    4   37 o   2.7080   0.9562   2.6330   1.3180   2.7840   1.3860 -0.1512000 1.912000 
1 1 1  -22    6    1 o   36.050   0.2865   35.800   0.4022   36.300   0.4081 -0.5052000 0.5729000 
1 1 1  -22    6    2 o   60.500   0.4475   60.110   0.6290   60.900   0.6367 -0.7945000 0.8950000 
1 1 1  -22    6    3 o   14.470   0.3375   13.410   0.4989   15.540   0.4546 -2.123000 0.6750000 
1 1 1  -22    6    4 o   46.370   0.3515   46.260   0.4954   46.480   0.4987 -0.2117000 0.7029000 
1 1 1  -22    6    5 o   39.980   0.3494   39.790   0.5393   40.180   0.4445 -0.3909000 0.6989000 
1 1 1  -22    6    6 o   21.420   0.3021   21.400   0.4206   21.430   0.4337 -0.3082000E-01 0.6042000 
1 1 1  -22    6    7 o   33.440   0.3423   32.950   0.4778   33.920   0.4902 -0.9764000 0.6846000 
1 1 1  -22    6    8 o   17.040   0.2743   17.040   0.4086   17.050   0.3660 -0.6081000E-02 0.5486000 
1 1 1  -22    6    9 o   57.230   0.3738   56.930   0.5257   57.540   0.5315 -0.6059000 0.7476000 
1 1 1  -22    6   10 o   43.150   0.2992   43.200   0.4234   43.100   0.4230 0.1036000 0.5985000 
1 1 1  -22    6   11 o   44.450   0.3083   44.390   0.4357   44.510   0.4363 -0.1247000 0.6165000 
1 1 1  -22    6   12 o   63.290   0.4779   63.410   0.6773   63.180   0.6744 0.2256000 0.9558000 
1 1 1  -22    6   13 o   91.160   0.5816   91.330   0.8241   90.990   0.8210 0.3370000 1.163000 
1 1 1  -22    6   14 o   26.330   0.2767   26.690   0.3871   25.960   0.3955 0.7218000 0.5534000 
1 1 1  -22    6   15 o   14.860   0.4081   15.870   0.5362   13.850   0.6154 2.023000 0.8162000 
1 1 1  -22    6   16 o   24.630   0.3141   24.320   0.4472   24.930   0.4412 -0.6056000 0.6282000 
1 1 1  -22    6   17 o   61.930   0.5104   62.400   0.8376   61.470   0.5836 0.9306000 1.021000 
1 1 1  -22    6   18 o   42.950   0.5465   43.010   0.9532   42.890   0.5348 0.1110000 1.093000 
1 1 1  -22    6   19 o   5.0030   1.4280   5.1600   2.2310   4.8460   1.7850 0.3140000 2.857000 
1 1 1  -22    6   20 o   16.700   0.5301   16.900   0.8547   16.490   0.6273 0.4106000 1.060000 
1 1 1  -22    6   21 o   22.580   0.4348   22.240   0.6711   22.920   0.5528 -0.6782000 0.8695000 
1 1 1  -22    6   22 o   6.3580   1.1390   6.1840   1.7520   6.5320   1.4560 -0.3485000 2.278000 
1 1 1  -22    6   23 o   21.860   0.3438   22.100   0.4867   21.620   0.4858 0.4803000 0.6877000 
1 1 1  -22    6   24 o   13.240   0.5809   12.960   0.8163   13.510   0.8268 -0.5486000 1.162000 
1 1 1  -22    6   25 o   22.560   0.3380   22.530   0.4759   22.590   0.4802 -0.5833000E-01 0.6761000 
1 1 1  -22    6   26 o   9.7510   0.7934   10.330   1.0890   9.1730   1.1540 1.155000 1.587000 
1 1 1  -22    6   27 o   7.9170   0.8526   6.7140   1.3580   9.1200   1.0310 -2.406000 1.705000 
1 1 1  -22    6   28 o   6.1930   0.9768   4.0760   1.5730   8.3100   1.1590 -4.234000 1.954000 
1 1 1  -22    6   29 o   17.150   0.4315   17.140   0.5963   17.170   0.6237 -0.3290000E-01 0.8629000 
1 1 1  -22    6   30 o   17.520   0.4425   17.370   0.6252   17.680   0.6262 -0.3173000 0.8849000 
1 1 1  -22    6   31 o   7.4110   1.0610   7.7670   1.4010   7.0560   1.5940 0.7110000 2.122000 
1 1 1  -22    6   32 o   8.3310   1.1970   7.4600   1.8560   9.2020   1.5120 -1.741000 2.394000 
1 1 1  -22    6   33 o   6.2430   1.3660   5.5620   1.8620   6.9240   2.0000 -1.362000 2.732000 
1 1 1  -22    6   34 o   5.3570   1.4130   5.0260   1.9410   5.6880   2.0540 -0.6623000 2.826000 
1 1 1  -22    6   35 o   5.4320   1.2670   3.7680   1.6670   7.0950   1.9100 -3.327000 2.535000 
1 1 1  -22    6   36 o   7.6510   1.3290   9.4590   1.6390   5.8440   2.0920 3.615000 2.658000 
1 1 1  -22    6   37 o   3.4530   1.1260   3.3830   1.5730   3.5230   1.6120 -0.1397000 2.252000 
1 1 1  -22    8    1 o   41.490   0.2878   41.310   0.4063   41.670   0.4077 -0.3609000 0.5756000 
1 1 1  -22    8    2 o   37.080   0.3134   36.400   0.4395   37.750   0.4468 -1.346000 0.6267000 
1 1 1  -22    8    3 o   48.230   0.4207   49.110   0.6587   47.360   0.5237 1.748000 0.8415000 
1 1 1  -22    8    4 o   53.000   0.4060   52.980   0.5737   53.020   0.5746 -0.3514000E-01 0.8119000 
1 1 1  -22    8    5 o  103.400   0.6553  102.800   0.9217  103.900   0.9318 -1.159000 1.311000 
1 1 1  -22    8    6 o   45.380   0.3369   45.070   0.5078   45.690   0.4427 -0.6138000 0.6737000 
1 1 1  -22    8    7 o   40.630   0.3134   40.430   0.4718   40.830   0.4125 -0.3911000 0.6267000 
1 1 1  -22    8    8 o   60.290   0.3950   60.370   0.5592   60.200   0.5580 0.1757000 0.7900000 
1 1 1  -22    8    9 o   47.150   0.3247   47.090   0.4587   47.220   0.4595 -0.1308000 0.6493000 
1 1 1  -22    8   10 o   4.3780   0.9507   5.2670   1.3170   3.4900   1.3710 1.776000 1.901000 
1 1 1  -22    8   11 o   53.970   0.4725   54.140   0.7342   53.810   0.5947 0.3281000 0.9449000 
1 1 1  -22    8   12 o   85.120   0.7063   85.240   1.0960   85.000   0.8909 0.2367000 1.413000 
1 1 1  -22    8   13 o   44.130   0.3948   44.070   0.6444   44.190   0.4562 -0.1294000 0.7895000 
1 1 1  -22    8   14 o   16.140   0.4947   16.640   0.7901   15.650   0.5955 0.9892000 0.9893000 
1 1 1  -22    8   15 o   41.800   0.3958   41.480   0.6415   42.110   0.4638 -0.6307000 0.7916000 
1 1 1  -22    8   16 o   40.350   0.3926   39.890   0.6365   40.810   0.4599 -0.9260000 0.7852000 
1 1 1  -22    8   17 o   44.740   0.4576   45.380   0.7284   44.110   0.5540 1.270000 0.9152000 
1 1 1  -22    8   18 o   45.310   0.3474   45.320   0.4888   45.310   0.4939 0.1279000E-01 0.6949000 
1 1 1  -22    8   19 o   4.3590   1.1570   3.5430   1.5310   5.1760   1.7340 -1.634000 2.313000 
1 1 1  -22    8   20 o   4.7530   1.2070   4.1790   1.6590   5.3270   1.7530 -1.148000 2.414000 
1 1 1  -22    8   21 o   26.880   0.3912   26.330   0.5885   27.430   0.5157 -1.100000 0.7824000 
1 1 1  -22    8   22 o   22.260   0.3532   22.720   0.4815   21.800   0.5170 0.9223000 0.7065000 
1 1 1  -22    8   23 o   37.700   0.3720   38.290   0.5207   37.100   0.5315 1.183000 0.7441000 
1 1 1  -22    8   24 o   12.290   0.5430   12.710   0.7320   11.870   0.8021 0.8373000 1.086000 
1 1 1  -22    8   25 o   7.4040   1.0800   6.7940   1.6900   8.0140   1.3450 -1.220000 2.160000 
1 1 1  -22    8   26 o   21.910   0.4088   21.930   0.5954   21.880   0.5604 0.5023000E-01 0.8176000 
1 1 1  -22    8   27 f   20.080   0.3728   20.480   0.5191   19.680   0.5351 0.8066000 0.7456000 
1 1 1  -22    8   28 o   16.100   0.4484   16.630   0.6069   15.560   0.6603 1.076000 0.8968000 
1 1 1  -22    8   29 f   9.0400   0.7960   8.7710   1.1450   9.3080   1.1060 -0.5377000 1.592000 
1 1 1  -22    8   30 o   5.8010   1.1430   6.9530   1.5320   4.6480   1.6960 2.305000 2.285000 
1 1 1  -22    8   31 o   4.7060   1.2620   3.6960   1.6650   5.7150   1.8980 -2.019000 2.525000 
1 1 1  -22    8   32 o   10.910   0.8194   11.590   1.0360   10.220   1.2700 1.369000 1.639000 
1 1 1  -22    8   33 o   19.400   0.5709   19.240   0.7611   19.560   0.8512 -0.3184000 1.142000 
1 1 1  -22    8   34 o   12.680   0.7429   13.590   0.9504   11.780   1.1420 1.810000 1.486000 
1 1 1  -22    8   35 o   4.2300   1.2210   5.1350   1.8760   3.3250   1.5620 1.810000 2.442000 
1 1 1  -22    8   36 o   3.4090   1.1410   3.4820   1.6300   3.3370   1.5970 0.1456000 2.282000 
1 1 1  -22   10    1 o   21.730   0.2990   20.740   0.3882   22.710   0.4548 -1.972000 0.5980000 
1 1 1  -22   10    2 o   70.000   0.4514   70.250   0.6405   69.760   0.6363 0.4841000 0.9028000 
1 1 1  -22   10    3 o   19.640   0.3106   20.130   0.3924   19.150   0.4816 0.9761000 0.6213000 
1 1 1  -22   10    4 o   26.510   0.2868   26.640   0.4368   26.370   0.3717 0.2792000 0.5735000 
1 1 1  -22   10    5 o   39.520   0.3658   39.940   0.6035   39.100   0.4135 0.8339000 0.7316000 
1 1 1  -22   10    6 o   71.050   0.5675   71.570   0.9325   70.540   0.6472 1.031000 1.135000 
1 1 1  -22   10    7 o   50.820   0.4302   50.670   0.7039   50.960   0.4949 -0.2922000 0.8604000 
1 1 1  -22   10    8 o   64.110   0.5196   64.400   0.8527   63.830   0.5941 0.5687000 1.039000 
1 1 1  -22   10    9 o   48.720   0.4453   49.020   0.6942   48.420   0.5577 0.6037000 0.8905000 
1 1 1  -22   10   10 o   18.930   0.4675   18.980   0.7362   18.880   0.5763 0.1028000 0.9350000 
1 1 1  -22   10   11 o   54.550   0.4084   54.320   0.6188   54.770   0.5331 -0.4431000 0.8167000 
1 1 1  -22   10   12 o   52.560   0.3974   51.810   0.5964   53.300   0.5252 -1.487000 0.7947000 
1 1 1  -22   10   13 o   6.1660   1.0650   4.7390   1.6360   7.5930   1.3630 -2.854000 2.130000 
1 1 1  -22   10   14 f   13.470   0.5404   13.920   0.7099   13.020   0.8149 0.9009000 1.081000 
1 1 1  -22   10   15 o   60.860   0.5364   62.130   0.6903   59.580   0.8212 2.552000 1.073000 
1 1 1  -22   10   16 o   42.670   0.3937   42.980   0.5575   42.350   0.5560 0.6343000 0.7874000 
1 1 1  -22   10   17 f   9.4240   0.8434   10.140   1.0440   8.7070   1.3250 1.435000 1.687000 
1 1 1  -22   10   18 o   32.580   0.3482   33.090   0.5131   32.070   0.4707 1.023000 0.6964000 
1 1 1  -22   10   19 o   24.790   0.3527   24.780   0.4903   24.790   0.5072 -0.7975000E-02 0.7054000 
1 1 1  -22   10   20 o   27.970   0.3623   27.550   0.5016   28.400   0.5229 -0.8458000 0.7247000 
1 1 1  -22   10   21 o   5.0060   1.2440   5.2790   1.7150   4.7340   1.8020 0.5457000 2.488000 
1 1 1  -22   10   22 o   16.290   0.5079   16.350   0.6844   16.230   0.7507 0.1228000 1.016000 
1 1 1  -22   10   23 o   23.780   0.3409   23.730   0.4788   23.830   0.4855 -0.9551000E-01 0.6819000 
1 1 1  -22   10   24 o   20.030   0.3780   20.970   0.5188   19.090   0.5498 1.884000 0.7559000 
1 1 1  -22   10   25 o   21.950   0.4165   22.370   0.6000   21.530   0.5779 0.8414000 0.8331000 
1 1 1  -22   10   26 o   20.870   0.3712   20.920   0.5181   20.810   0.5317 0.1111000 0.7424000 
1 1 1  -22   10   27 o   15.240   0.4954   16.020   0.6410   14.460   0.7554 1.559000 0.9908000 
1 1 1  -22   10   28 o   6.4830   1.0910   5.7660   1.6010   7.1990   1.4810 -1.433000 2.181000 
1 1 1  -22   10   29 o   11.110   0.6710   10.450   0.9673   11.760   0.9302 -1.311000 1.342000 
1 1 1  -22   10   30 o   4.1880   1.1760   5.5840   1.9180   2.7910   1.3610 2.793000 2.352000 
1 1 1  -22   10   31 o   15.100   0.8690   13.610   1.4990   16.600   0.8791 -2.988000 1.738000 
1 1 1  -22   10   32 o   7.4580   1.1640   7.1720   1.6280   7.7450   1.6650 -0.5732000 2.328000 
1 1 1  -22   10   33 o   10.560   1.0070   11.070   1.2670   10.060   1.5660 1.013000 2.014000 
1 1 1  -22   10   34 o   4.4680   1.1890   5.9470   1.8890   2.9890   1.4440 2.958000 2.378000 
1 1 1  -22   10   35 o   3.6280   1.1880   3.2690   1.5640   3.9870   1.7880 -0.7183000 2.376000 
1 1 1  -22   10   36 o   2.5220   0.8873   2.3320   1.1740   2.7130   1.3310 -0.3813000 1.775000 
1 1 1  -22   12    1 o   43.350   0.4142   43.340   0.6450   43.350   0.5198 -0.1274000E-01 0.8284000 
1 1 1  -22   12    2 o   66.600   0.5654   66.330   0.8744   66.870   0.7169 -0.5328000 1.131000 
1 1 1  -22   12    3 o   36.430   0.3849   36.640   0.5997   36.220   0.4825 0.4182000 0.7697000 
1 1 1  -22   12    4 o   30.660   0.3356   31.250   0.4737   30.060   0.4754 1.189000 0.6711000 
1 1 1  -22   12    5 o   74.790   0.5607   75.360   0.7980   74.210   0.7880 1.158000 1.121000 
1 1 1  -22   12    6 o   91.650   0.6782   91.640   0.9581   91.660   0.9600 -0.1928000E-01 1.356000 
1 1 1  -22   12    7 o   38.720   0.3623   39.460   0.5133   37.970   0.5114 1.496000 0.7246000 
1 1 1  -22   12    8 o   32.670   0.3547   32.650   0.4985   32.700   0.5048 -0.5218000E-01 0.7094000 
1 1 1  -22   12    9 o   39.250   0.3455   38.930   0.5166   39.560   0.4591 -0.6260000 0.6911000 
1 1 1  -22   12   10 o   70.470   0.4649   70.380   0.6549   70.570   0.6601 -0.1890000 0.9298000 
1 1 1  -22   12   11 o   11.450   0.6680   10.540   1.0070   12.370   0.8774 -1.828000 1.336000 
1 1 1  -22   12   12 o   24.690   0.4226   25.220   0.5869   24.160   0.6084 1.067000 0.8453000 
1 1 1  -22   12   13 o   42.760   0.4853   42.240   0.6656   43.290   0.7064 -1.046000 0.9706000 
1 1 1  -22   12   14 o   56.560   0.3989   56.610   0.5615   56.520   0.5667 0.9113000E-01 0.7978000 
1 1 1  -22   12   15 o   49.410   0.3677   49.310   0.5122   49.500   0.5278 -0.1941000 0.7355000 
1 1 1  -22   12   16 o   21.020   0.4131   20.790   0.5618   21.260   0.6058 -0.4610000 0.8262000 
1 1 1  -22   12   17 o   24.380   0.3713   24.610   0.5088   24.150   0.5408 0.4628000 0.7425000 
1 1 1  -22   12   18 o   32.400   0.3322   32.760   0.4585   32.040   0.4809 0.7191000 0.6644000 
1 1 1  -22   12   19 o   17.730   0.4879   17.270   0.6743   18.200   0.7054 -0.9279000 0.9759000 
1 1 1  -22   12   20 o   19.470   0.4623   19.360   0.6270   19.590   0.6794 -0.2353000 0.9245000 
1 1 1  -22   12   21 o   39.050   0.3287   38.950   0.4657   39.140   0.4640 -0.1924000 0.6574000 
1 1 1  -22   12   22 o   25.040   0.3420   25.350   0.4692   24.730   0.4976 0.6269000 0.6839000 
1 1 1  -22   12   23 o   12.150   0.5798   12.400   0.7884   11.900   0.8504 0.4990000 1.160000 
1 1 1  -22   12   24 o   6.1680   1.2200   6.6070   1.6930   5.7280   1.7580 0.8785000 2.441000 
1 1 1  -22   12   25 o   7.0550   1.0410   7.7040   1.3040   6.4060   1.6240 1.298000 2.083000 
1 1 1  -22   12   26 o   4.1510   1.1130   3.2510   1.4360   5.0510   1.7010 -1.800000 2.226000 
1 1 1  -22   12   27 o   10.460   0.7021   10.170   0.9875   10.750   0.9985 -0.5736000 1.404000 
1 1 1  -22   12   28 o   8.1930   0.9734   9.2570   1.1430   7.1280   1.5760 2.129000 1.947000 
1 1 1  -22   12   29 o   9.6060   1.0270   9.6400   1.4250   9.5720   1.4810 0.6836000E-01 2.055000 
1 1 1  -22   12   30 o   14.290   0.6611   14.490   0.8187   14.100   1.0380 0.3890000 1.322000 
1 1 1  -22   12   31 o   5.4900   1.3020   5.8730   1.8170   5.1070   1.8650 0.7652000 2.604000 
1 1 1  -22   12   32 o   3.5830   1.1700   3.2860   1.5480   3.8800   1.7540 -0.5937000 2.339000 
1 1 1  -22   12   33 o   4.3780   1.2870   3.9340   1.7450   4.8220   1.8920 -0.8881000 2.574000 
1 1 1  -22   12   34 o   3.6280   1.1870   3.3470   1.5930   3.9090   1.7600 -0.5613000 2.374000 
1 1 1  -22   12   35 o   3.0270   1.0230   2.9120   1.4040   3.1420   1.4870 -0.2293000 2.045000 
1 1 1  -22   14    1 o   45.660   0.3396   46.110   0.4809   45.210   0.4797 0.8948000 0.6793000 
1 1 1  -22   14    2 o   60.760   0.4103   61.060   0.5815   60.450   0.5791 0.6063000 0.8207000 
1 1 1  -22   14    3 o   23.570   0.3801   23.980   0.4754   23.160   0.5931 0.8176000 0.7601000 
1 1 1  -22   14    4 o   70.080   0.4615   69.690   0.6487   70.460   0.6566 -0.7686000 0.9229000 
1 1 1  -22   14    5 o   46.640   0.3473   46.000   0.4815   47.280   0.5006 -1.284000 0.6945000 
1 1 1  -22   14    6 o   36.340   0.3532   36.630   0.5270   36.040   0.4706 0.5906000 0.7065000 
1 1 1  -22   14    7 o   64.910   0.5024   65.140   0.7099   64.670   0.7110 0.4649000 1.005000 
1 1 1  -22   14    8 o   37.050   0.3789   37.590   0.5228   36.510   0.5485 1.083000 0.7578000 
1 1 1  -22   14    9 o   12.590   0.7457   12.640   0.9800   12.540   1.1240 0.9045000E-01 1.491000 
1 1 1  -22   14   10 o   14.340   0.6886   13.690   0.9853   14.980   0.9621 -1.288000 1.377000 
1 1 1  -22   14   11 o   32.120   0.3441   32.580   0.4752   31.660   0.4977 0.9120000 0.6881000 
1 1 1  -22   14   12 o   29.890   0.3519   29.970   0.4868   29.810   0.5084 0.1596000 0.7039000 
1 1 1  -22   14   13 o   35.370   0.3433   35.300   0.4765   35.440   0.4942 -0.1345000 0.6865000 
1 1 1  -22   14   14 o   43.280   0.3540   43.250   0.4948   43.310   0.5064 -0.6004000E-01 0.7080000 
1 1 1  -22   14   15 o   26.240   0.4884   27.330   0.5007   25.150   0.8387 2.176000 0.9768000 
1 1 1  -22   14   16 o   52.020   0.3826   51.720   0.5344   52.320   0.5477 -0.6049000 0.7653000 
1 1 1  -22   14   17 o   27.940   0.4644   26.980   0.6374   28.890   0.6755 -1.911000 0.9287000 
1 1 1  -22   14   18 o   25.190   0.4703   25.170   0.6461   25.220   0.6837 -0.4979000E-01 0.9407000 
1 1 1  -22   14   19 o   17.250   0.4463   17.060   0.6265   17.430   0.6358 -0.3727000 0.8926000 
1 1 1  -22   14   20 o   14.200   0.5234   14.570   0.6945   13.840   0.7833 0.7323000 1.047000 
1 1 1  -22   14   21 o   32.430   0.3266   32.510   0.4558   32.350   0.4680 0.1513000 0.6532000 
1 1 1  -22   14   22 f   4.0540   1.1300   3.7220   1.5350   4.3860   1.6590 -0.6648000 2.261000 
1 1 1  -22   14   23 o   16.010   0.5438   15.200   0.8163   16.820   0.7187 -1.620000 1.088000 
1 1 1  -22   14   24 o   22.770   0.4254   22.360   0.6089   23.180   0.5942 -0.8238000 0.8508000 
1 1 1  -22   14   25 o   5.8800   1.1830   5.8470   1.6230   5.9130   1.7210 -0.6597000E-01 2.365000 
1 1 1  -22   14   26 o   9.0490   0.8447   8.6510   1.2020   9.4470   1.1870 -0.7958000 1.689000 
1 1 1  -22   14   27 o   6.1310   1.2180   6.6100   1.6220   5.6510   1.8170 0.9588000 2.436000 
1 1 1  -22   14   28 o   7.7990   1.2670   6.7900   1.9090   8.8080   1.6670 -2.018000 2.534000 
1 1 1  -22   14   29 o   20.270   0.4529   20.290   0.6185   20.250   0.6617 0.4317000E-01 0.9057000 
1 1 1  -22   14   30 o   18.670   0.5208   18.750   0.6938   18.600   0.7770 0.1464000 1.042000 
1 1 1  -22   14   31 o   3.7830   1.1790   3.2480   1.5100   4.3180   1.8120 -1.070000 2.359000 
1 1 1  -22   14   32 o   3.1480   1.0770   3.1970   1.5310   3.0990   1.5160 0.9730000E-01 2.154000 
1 1 1  -22   14   33 f   2.9900   1.0400   2.5130   1.2670   3.4680   1.6480 -0.9542000 2.079000 
1 1 1  -22   14   34 o   5.6860   1.3290   4.9170   1.8710   6.4560   1.8880 -1.539000 2.658000 
1 1 1  -22   16    1 o   47.990   0.3620   47.610   0.5081   48.370   0.5156 -0.7603000 0.7239000 
1 1 1  -22   16    2 o   45.800   0.3529   45.150   0.4929   46.460   0.5052 -1.314000 0.7058000 
1 1 1  -22   16    3 o   44.300   0.3498   43.890   0.4895   44.710   0.5000 -0.8230000 0.6997000 
1 1 1  -22   16    4 o   84.420   0.5490   84.210   0.7744   84.620   0.7785 -0.4050000 1.098000 
1 1 1  -22   16    5 o   50.770   0.3749   51.220   0.5277   50.320   0.5328 0.9027000 0.7499000 
1 1 1  -22   16    6 o   29.280   0.3625   29.780   0.4933   28.780   0.5313 1.000000 0.7250000 
1 1 1  -22   16    7 o   40.480   0.3500   41.250   0.4869   39.700   0.5030 1.547000 0.7001000 
1 1 1  -22   16    8 o   21.190   0.4800   20.800   0.6105   21.590   0.7410 -0.7952000 0.9601000 
1 1 1  -22   16    9 o   21.910   0.4217   22.410   0.5577   21.400   0.6327 1.013000 0.8434000 
1 1 1  -22   16   10 o   46.150   0.3619   46.330   0.5043   45.970   0.5193 0.3633000 0.7238000 
1 1 1  -22   16   11 o   17.870   0.5303   16.730   0.8077   19.010   0.6873 -2.276000 1.061000 
1 1 1  -22   16   12 o   76.350   0.5075   75.720   0.7111   76.980   0.7243 -1.253000 1.015000 
1 1 1  -22   16   13 o   31.560   0.3535   31.120   0.4890   32.000   0.5107 -0.8791000 0.7071000 
1 1 1  -22   16   14 o   8.6990   0.9969   9.3180   1.2440   8.0810   1.5580 1.237000 1.994000 
1 1 1  -22   16   15 o   5.6220   1.4060   5.0290   1.8670   6.2160   2.1030 -1.187000 2.813000 
1 1 1  -22   16   16 o   22.490   0.5155   22.450   0.6911   22.530   0.7651 -0.8340000E-01 1.031000 
1 1 1  -22   16   17 o   13.050   0.6054   13.280   0.8274   12.830   0.8840 0.4485000 1.211000 
1 1 1  -22   16   18 o   18.720   0.4212   18.400   0.5855   19.050   0.6058 -0.6496000 0.8425000 
1 1 1  -22   16   19 o   15.040   0.5084   14.620   0.7044   15.450   0.7333 -0.8285000 1.017000 
1 1 1  -22   16   20 o   31.360   0.3293   31.480   0.4583   31.230   0.4730 0.2445000 0.6586000 
1 1 1  -22   16   21 o   24.470   0.3579   24.430   0.4915   24.520   0.5203 -0.8366000E-01 0.7157000 
1 1 1  -22   16   22 o   20.460   0.5744   20.170   0.9438   20.750   0.6550 -0.5836000 1.149000 
1 1 1  -22   16   23 o   4.3020   1.1760   4.3670   1.6610   4.2370   1.6640 0.1299000 2.351000 
1 1 1  -22   16   24 o   25.370   0.3616   25.250   0.5035   25.480   0.5192 -0.2256000 0.7232000 
1 1 1  -22   16   25 o   3.9060   1.1580   3.5730   1.5610   4.2390   1.7120 -0.6664000 2.317000 
1 1 1  -22   16   26 o   22.700   0.4934   22.500   0.6855   22.910   0.7098 -0.4107000 0.9868000 
1 1 1  -22   16   27 o   6.6930   1.3330   7.9370   1.7390   5.4480   2.0210 2.489000 2.666000 
1 1 1  -22   16   28 o   4.4870   1.2570   4.6120   1.7500   4.3630   1.8050 0.2494000 2.514000 
1 1 1  -22   16   29 o   15.530   0.6224   13.980   0.8939   17.080   0.8663 -3.107000 1.245000 
1 1 1  -22   16   30 o   11.390   0.8397   10.960   1.1810   11.820   1.1940 -0.8557000 1.679000 
1 1 1  -22   16   31 o   4.6570   1.5170   4.1320   1.8480   5.1820   2.4060 -1.049000 3.034000 
1 1 1  -22   16   32 o   3.3150   1.1620   3.1040   1.5050   3.5260   1.7710 -0.4222000 2.324000 
1 1 1  -22   16   33 o   2.8000   0.9731   3.2600   1.5330   2.3400   1.2000 0.9199000 1.946000 
1 1 1  -22   18    1 o   7.2400   1.1620   8.2900   1.4640   6.1910   1.8050 2.099000 2.324000 
1 1 1  -22   18    2 o   14.630   0.5827   15.170   0.7863   14.100   0.8600 1.063000 1.165000 
1 1 1  -22   18    3 o   16.510   0.5173   16.140   0.7427   16.870   0.7203 -0.7277000 1.035000 
1 1 1  -22   18    4 o   21.340   0.4190   21.250   0.5916   21.430   0.5935 -0.1761000 0.8379000 
1 1 1  -22   18    5 o   19.680   0.4557   19.430   0.6301   19.920   0.6586 -0.4817000 0.9114000 
1 1 1  -22   18    6 o   39.970   0.3496   39.770   0.4855   40.180   0.5032 -0.4022000 0.6992000 
1 1 1  -22   18    7 o   15.370   0.5741   15.430   0.7667   15.300   0.8548 0.1313000 1.148000 
1 1 1  -22   18    8 o   11.490   0.7747   12.620   0.9177   10.360   1.2480 2.257000 1.549000 
1 1 1  -22   18    9 o   7.4870   1.1550   7.2950   1.6000   7.6790   1.6670 -0.3843000 2.310000 
1 1 1  -22   18   10 o   10.940   0.9253   11.980   1.0370   9.8950   1.5330 2.086000 1.851000 
1 1 1  -22   18   11 o   26.100   0.4305   27.500   0.5471   24.710   0.6648 2.790000 0.8610000 
1 1 1  -22   18   12 o   27.630   0.4186   27.190   0.5510   28.070   0.6304 -0.8819000 0.8373000 
1 1 1  -22   18   13 o   37.220   0.3941   37.630   0.5518   36.820   0.5629 0.8087000 0.7882000 
1 1 1  -22   18   14 o   14.920   0.6037   14.710   0.8426   15.130   0.8647 -0.4206000 1.207000 
1 1 1  -22   18   15 o   23.770   0.3850   24.090   0.5312   23.440   0.5573 0.6486000 0.7699000 
1 1 1  -22   18   16 o   9.8920   0.7957   10.550   1.0010   9.2350   1.2370 1.314000 1.591000 
1 1 1  -22   18   17 o   5.3740   1.2160   5.8900   1.6690   4.8590   1.7670 1.031000 2.431000 
1 1 1  -22   18   18 o   16.220   0.4955   16.340   0.6595   16.100   0.7397 0.2445000 0.9911000 
1 1 1  -22   18   19 o   13.640   0.5572   13.240   0.7795   14.050   0.7965 -0.8167000 1.114000 
1 1 1  -22   18   20 o   12.160   0.7415   12.270   1.0290   12.050   1.0680 0.2163000 1.483000 
1 1 1  -22   18   21 o   20.790   0.4775   20.920   0.6748   20.650   0.6758 0.2776000 0.9550000 
1 1 1  -22   18   22 o   25.030   0.3729   25.580   0.5159   24.480   0.5386 1.093000 0.7458000 
1 1 1  -22   18   23 o   9.6640   0.8556   9.2320   1.2010   10.100   1.2190 -0.8632000 1.711000 
1 1 1  -22   18   24 o   6.5510   1.3510   7.7640   1.8750   5.3370   1.9460 2.427000 2.702000 
1 1 1  -22   18   25 o   9.4520   1.1280   8.6480   1.6930   10.260   1.4910 -1.607000 2.256000 
1 1 1  -22   18   26 o   3.9730   1.2080   3.4160   1.5480   4.5290   1.8560 -1.114000 2.416000 
1 1 1  -22   18   27 o   4.0310   1.2820   3.5530   1.5920   4.5080   2.0110 -0.9544000 2.565000 
1 1 1  -22   18   28 o   5.2350   1.3830   5.8570   1.8590   4.6140   2.0480 1.242000 2.766000 
1 1 1  -22   18   29 o   3.9650   1.2820   3.4270   1.5790   4.5040   2.0210 -1.077000 2.564000 
1 1 1  -22   18   30 o   7.9650   1.5250   7.8510   2.0430   8.0800   2.2640 -0.2289000 3.049000 
1 1 1  -22   18   31 o   3.2740   1.0600   4.1820   1.7520   2.3650   1.1930 1.817000 2.120000 
1 1 1  -22   18   32 o   3.0110   1.0160   3.3570   1.5490   2.6650   1.3160 0.6919000 2.033000 
1 1 1  -22   20    1 o   23.570   0.4414   23.330   0.6115   23.810   0.6367 -0.4742000 0.8828000 
1 1 1  -22   20    2 o   11.840   0.7815   12.410   1.0130   11.280   1.1910 1.129000 1.563000 
1 1 1  -22   20    3 o   6.0400   1.2940   5.1060   1.8340   6.9740   1.8250 -1.868000 2.587000 
1 1 1  -22   20    4 f   38.150   0.3844   38.040   0.5346   38.250   0.5524 -0.2098000 0.7687000 
1 1 1  -22   20    5 o   24.680   0.4376   25.230   0.5651   24.130   0.6682 1.102000 0.8751000 
1 1 1  -22   20    6 o   22.700   0.4649   22.380   0.6100   23.020   0.7017 -0.6339000 0.9298000 
1 1 1  -22   20    7 o   36.040   0.3688   35.500   0.5315   36.570   0.5115 -1.065000 0.7377000 
1 1 1  -22   20    8 o   39.520   0.4016   39.880   0.5630   39.170   0.5729 0.7091000 0.8032000 
1 1 1  -22   20    9 o   6.1190   1.3450   5.4620   1.8890   6.7750   1.9140 -1.313000 2.689000 
1 1 1  -22   20   10 o   22.660   0.4474   22.740   0.6155   22.590   0.6496 0.1511000 0.8949000 
1 1 1  -22   20   11 o   11.040   0.8276   11.610   1.0420   10.470   1.2860 1.140000 1.655000 
1 1 1  -22   20   12 o   36.290   0.3367   36.660   0.4605   35.910   0.4912 0.7567000 0.6733000 
1 1 1  -22   20   13 o   5.7980   1.1830   6.4690   1.5420   5.1260   1.7940 1.343000 2.365000 
1 1 1  -22   20   14 o   3.1440   1.0050   3.6100   1.5300   2.6790   1.3040 0.9319000 2.010000 
1 1 1  -22   20   15 o   16.030   0.5122   16.690   0.6746   15.370   0.7709 1.314000 1.024000 
1 1 1  -22   20   16 o   6.8890   1.1040   5.6150   1.6810   8.1630   1.4310 -2.548000 2.208000 
1 1 1  -22   20   17 o   11.610   0.6811   10.950   0.9876   12.270   0.9383 -1.320000 1.362000 
1 1 1  -22   20   18 o   6.4030   1.1350   8.7010   1.4420   4.1060   1.7540 4.595000 2.271000 
1 1 1  -22   20   19 o   15.060   0.6364   14.650   0.9017   15.480   0.8983 -0.8340000 1.273000 
1 1 1  -22   20   20 o   10.550   0.7961   10.350   1.0830   10.740   1.1670 -0.3861000 1.592000 
1 1 1  -22   20   21 o   24.330   0.4057   24.870   0.5485   23.790   0.5979 1.083000 0.8114000 
1 1 1  -22   20   22 o   14.010   0.9995   12.350   1.2170   15.660   1.5860 -3.303000 1.999000 
1 1 1  -22   20   23 o   10.830   1.3450   10.750   1.4250   10.910   2.2820 -0.1612000 2.690000 
1 1 1  -22   20   24 o   3.8920   1.2400   2.9890   1.4230   4.7940   2.0320 -1.805000 2.480000 
1 1 1  -22   20   25 o   4.5390   1.3580   4.4520   1.7800   4.6260   2.0520 -0.1748000 2.717000 
1 1 1  -22   20   26 o   3.9930   1.2290   3.8140   1.6740   4.1710   1.8010 -0.3568000 2.459000 
1 1 1  -22   20   27 o   6.9110   1.2990   6.9810   1.8210   6.8410   1.8520 0.1400000 2.597000 
1 1 1  -22   20   28 o   10.600   1.1410   11.090   1.3610   10.120   1.8310 0.9704000 2.281000 
1 1 1  -22   20   29 o   3.4430   1.1670   3.8030   1.7820   3.0820   1.5060 0.7217000 2.333000 
1 1 1  -22   20   30 o   2.8550   0.9788   3.0740   1.4590   2.6360   1.3050 0.4378000 1.958000 
1 1 1  -22   20   31 o   1.8800   0.6923   1.8930   0.9855   1.8670   0.9727 0.2575000E-01 1.385000 
1 1 1  -22   22    1 o   18.740   0.4369   19.320   0.5962   18.160   0.6389 1.162000 0.8738000 
1 1 1  -22   22    2 o   17.910   0.4514   18.320   0.6182   17.500   0.6580 0.8212000 0.9029000 
1 1 1  -22   22    3 o   26.240   0.3466   25.970   0.4844   26.520   0.4958 -0.5541000 0.6931000 
1 1 1  -22   22    4 o   20.700   0.4013   20.600   0.5648   20.810   0.5702 -0.2029000 0.8026000 
1 1 1  -22   22    5 o   6.1570   1.1300   7.6360   1.3990   4.6770   1.7760 2.959000 2.261000 
1 1 1  -22   22    6 o   6.6760   1.1670   6.5650   1.6000   6.7860   1.6980 -0.2206000 2.333000 
1 1 1  -22   22    7 o   9.6920   0.8421   10.480   1.0210   8.9040   1.3390 1.575000 1.684000 
1 1 1  -22   22    8 o   15.790   0.5193   16.590   0.6593   14.990   0.8027 1.598000 1.039000 
1 1 1  -22   22    9 o   27.570   0.3568   27.030   0.4869   28.120   0.5217 -1.092000 0.7136000 
1 1 1  -22   22   10 o   10.260   0.7706   10.830   0.9510   9.6880   1.2130 1.142000 1.541000 
1 1 1  -22   22   11 o   8.2800   0.9803   8.5850   1.2440   7.9750   1.5150 0.6095000 1.961000 
1 1 1  -22   22   12 o   23.220   0.3818   23.390   0.5032   23.050   0.5744 0.3442000 0.7636000 
1 1 1  -22   22   13 o   7.8950   1.0300   9.1920   1.1180   6.5990   1.7310 2.593000 2.061000 
1 1 1  -22   22   14 o   15.620   0.5215   15.590   0.6939   15.660   0.7785 -0.7546000E-01 1.043000 
1 1 1  -22   22   15 o   14.810   0.6165   15.010   0.8261   14.610   0.9153 0.3988000 1.233000 
1 1 1  -22   22   16 o   13.120   0.7744   12.500   1.1880   13.730   0.9937 -1.222000 1.549000 
1 1 1  -22   22   17 o   13.680   0.7646   14.070   0.9699   13.280   1.1820 0.7883000 1.529000 
1 1 1  -22   22   18 o   17.150   0.6067   17.310   0.7129   16.990   0.9817 0.3232000 1.213000 
1 1 1  -22   22   19 f   18.270   0.8083   18.200   0.8892   18.340   1.3500 -0.1487000 1.617000 
1 1 1  -22   22   20 o   5.7960   1.6520   5.1810   2.0380   6.4120   2.6000 -1.231000 3.304000 
1 1 1  -22   22   21 o   4.1450   1.2650   3.9890   1.7060   4.3010   1.8700 -0.3126000 2.531000 
1 1 1  -22   22   22 o   4.1330   1.2230   4.6370   1.8050   3.6300   1.6520 1.007000 2.447000 
1 1 1  -22   22   23 o   14.680   0.6602   15.550   0.8523   13.810   1.0080 1.740000 1.320000 
1 1 1  -22   22   24 o   6.1450   1.2150   4.0590   1.7520   8.2310   1.6840 -4.172000 2.430000 
1 1 1  -22   22   25 o   4.1070   1.2100   3.1300   1.4860   5.0840   1.9090 -1.954000 2.419000 
1 1 1  -22   22   26 o   8.5190   1.2600   6.5360   1.9950   10.500   1.5390 -3.966000 2.520000 
1 1 1  -22   22   27 o   3.6510   1.2200   3.7490   1.7580   3.5540   1.6930 0.1952000 2.441000 
1 1 1  -22   22   28 o   2.9410   1.0070   2.5710   1.2910   3.3110   1.5450 -0.7400000 2.014000 
1 1 1  -22   22   29 o   2.4230   0.8695   1.9520   0.9975   2.8930   1.4250 -0.9411000 1.739000 
1 1 1  -22   24    1 o   15.110   0.5486   15.100   0.8037   15.120   0.7468 -0.1844000E-01 1.097000 
1 1 1  -22   24    2 o   14.490   0.5426   14.240   0.7618   14.750   0.7727 -0.5170000 1.085000 
1 1 1  -22   24    3 o   7.0790   1.0770   6.8300   1.5440   7.3280   1.5030 -0.4982000 2.154000 
1 1 1  -22   24    4 o   13.980   0.5525   14.060   0.7665   13.890   0.7959 0.1702000 1.105000 
1 1 1  -22   24    5 o   14.130   0.5637   13.310   0.8005   14.960   0.7938 -1.645000 1.127000 
1 1 1  -22   24    6 o   4.9390   1.1810   3.7640   1.5830   6.1130   1.7520 -2.349000 2.362000 
1 1 1  -22   24    7 o   4.2420   1.2000   4.0630   1.6390   4.4210   1.7550 -0.3586000 2.401000 
1 1 1  -22   24    8 o   12.530   0.6473   12.350   0.8707   12.710   0.9581 -0.3603000 1.295000 
1 1 1  -22   24    9 o   18.800   0.4601   18.760   0.6097   18.830   0.6892 -0.6327000E-01 0.9202000 
1 1 1  -22   24   10 o   11.610   0.9443   11.610   0.9443  ?   ?       ?      ? 
1 1 1  -22   24   11 o   11.000   0.9445   9.8770   1.2940   12.130   1.3760 -2.250000 1.889000 
1 1 1  -22   24   12 o   5.4450   1.3800   5.7300   1.8580   5.1610   2.0410 0.5697000 2.760000 
1 1 1  -22   24   13 o   5.7750   1.3500   6.5980   1.7650   4.9520   2.0420 1.647000 2.699000 
1 1 1  -22   24   14 o   13.700   0.7526   13.420   0.8448   13.970   1.2460 -0.5520000 1.505000 
1 1 1  -22   24   15 o   7.1100   1.2440   7.4290   1.5400   6.7900   1.9550 0.6389000 2.489000 
1 1 1  -22   24   16 o   10.450   1.0260   10.020   1.4310   10.870   1.4700 -0.8579000 2.051000 
1 1 1  -22   24   17 o   11.610   0.9674   12.520   1.1750   10.690   1.5370 1.828000 1.935000 
1 1 1  -22   24   18 o   6.1760   1.1800   8.3960   1.6210   3.9570   1.7150 4.439000 2.360000 
1 1 1  -22   24   19 o   10.330   0.9696   7.9750   1.6360   12.690   1.0420 -4.712000 1.939000 
1 1 1  -22   24   20 o   7.0300   1.2210   8.7750   1.4700   5.2850   1.9510 3.490000 2.443000 
1 1 1  -22   24   21 o   3.7700   1.1610   4.5370   1.8090   3.0030   1.4550 1.533000 2.322000 
1 1 1  -22   24   22 o   4.4400   1.2900   3.9380   1.7210   4.9410   1.9220 -1.003000 2.580000 
1 1 1  -22   24   23 o   5.1690   1.3640   4.7610   1.8790   5.5760   1.9790 -0.8149000 2.729000 
1 1 1  -22   24   24 o   7.2060   1.4240   7.4560   1.9470   6.9570   2.0770 0.4993000 2.847000 
1 1 1  -22   24   25 f   2.7980   0.9796   2.5290   1.2670   3.0680   1.4940 -0.5391000 1.959000 
1 1 1  -22   24   26 o   2.9310   1.0080   2.9120   1.4080   2.9500   1.4430 -0.3785000E-01 2.016000 
1 1 1  -22   24   27 o   2.3930   0.8469   2.4040   1.2020   2.3810   1.1930 0.2367000E-01 1.694000 
1 1 1  -22   26    1 o   10.320   0.9156   10.200   1.2680   10.440   1.3210 -0.2432000 1.831000 
1 1 1  -22   26    2 o   7.1920   1.3820   7.3650   1.7300   7.0190   2.1570 0.3455000 2.765000 
1 1 1  -22   26    3 o   6.3940   1.4170   6.7130   1.8290   6.0750   2.1640 0.6385000 2.833000 
1 1 1  -22   26    4 o   9.2680   1.1510   9.2140   1.4090   9.3220   1.8220 -0.1086000 2.303000 
1 1 1  -22   26    5 o   5.0410   1.3840   5.1910   1.8830   4.8920   2.0300 0.2988000 2.769000 
1 1 1  -22   26    6 o   5.3910   1.3930   5.8730   1.8960   4.9100   2.0420 0.9623000 2.787000 
1 1 1  -22   26    7 o   7.3050   1.3540   8.2880   1.5840   6.3230   2.1980 1.965000 2.709000 
1 1 1  -22   26    8 o   5.4360   1.2940   3.6070   1.6450   7.2660   1.9980 -3.658000 2.588000 
1 1 1  -22   26    9 o   6.2050   1.1880   7.7720   1.5040   4.6380   1.8390 3.134000 2.376000 
1 1 1  -22   26   10 f   6.0280   1.3380   7.2690   1.8480   4.7870   1.9350 2.483000 2.675000 
1 1 1  -22   26   11 o   9.6040   1.1140   8.8670   1.6450   10.340   1.5040 -1.475000 2.229000 
1 1 1  -22   26   12 o   8.3330   1.2920   7.9580   1.8180   8.7070   1.8360 -0.7498000 2.584000 
1 1 1  -22   26   13 o   4.9510   1.3810   5.0120   1.9360   4.8910   1.9690 0.1212000 2.761000 
1 1 1  -22   26   14 o   18.730   0.4863   18.540   0.6693   18.930   0.7056 -0.3831000 0.9725000 
1 1 1  -22   26   15 o   9.1140   1.0190   7.2790   1.6620   10.950   1.1780 -3.670000 2.037000 
1 1 1  -22   26   16 o   11.220   0.8340   9.4420   1.3150   13.000   1.0260 -3.558000 1.668000 
1 1 1  -22   26   17 f   17.070   0.5784   17.960   0.7326   16.190   0.8953 1.768000 1.157000 
1 1 1  -22   26   18 o   11.750   0.8424   12.630   1.0390   10.870   1.3260 1.757000 1.685000 
1 1 1  -22   26   19 o   6.9430   1.1880   4.2140   1.8680   9.6720   1.4690 -5.459000 2.377000 
1 1 1  -22   26   20 o   8.9830   1.1050   8.2430   1.6680   9.7230   1.4500 -1.480000 2.210000 
1 1 1  -22   26   21 o   9.8820   1.1320   10.480   1.4600   9.2810   1.7310 1.201000 2.265000 
1 1 1  -22   26   22 o   2.7410   0.9557   2.2760   1.1510   3.2070   1.5260 -0.9307000 1.911000 
1 1 1  -22   26   23 o   3.8950   1.2330   3.7420   1.6890   4.0470   1.7970 -0.3058000 2.466000 
1 1 1  -22   26   24 o   2.5010   0.8845   2.5440   1.2710   2.4580   1.2300 0.8589000E-01 1.769000 
1 1 1  -22   26   25 o   1.9340   0.7119   1.9720   1.0260   1.8950   0.9867 0.7734000E-01 1.424000 
1 1 1  -22   28    1 o   16.740   0.6295   15.600   0.9493   17.890   0.8271 -2.284000 1.259000 
1 1 1  -22   28    2 o   13.430   0.7452   13.810   1.0120   13.060   1.0950 0.7538000 1.490000 
1 1 1  -22   28    3 o   3.2330   1.0780   2.5980   1.2940   3.8680   1.7250 -1.270000 2.156000 
1 1 1  -22   28    4 o   12.890   0.7669   12.880   1.0910   12.910   1.0780 -0.2673000E-01 1.534000 
1 1 1  -22   28    5 o   4.7140   1.1350   6.3560   1.7350   3.0720   1.4660 3.284000 2.271000 
1 1 1  -22   28    6 o   18.950   0.4946   19.140   0.6616   18.770   0.7353 0.3708000 0.9892000 
1 1 1  -22   28    7 o   9.8520   0.9082   10.250   1.1580   9.4580   1.4000 0.7872000 1.816000 
1 1 1  -22   28    8 o   4.5450   1.1940   2.9940   1.4250   6.0950   1.9170 -3.101000 2.388000 
1 1 1  -22   28    9 o   10.980   0.8280   10.870   1.1350   11.090   1.2060 -0.2210000 1.656000 
1 1 1  -22   28   10 o   8.8800   1.0340   8.6150   1.4350   9.1450   1.4880 -0.5296000 2.067000 
1 1 1  -22   28   11 o   10.420   0.8956   11.420   1.0900   9.4210   1.4220 1.998000 1.791000 
1 1 1  -22   28   12 f   6.7370   1.2670   7.6840   1.6700   5.7900   1.9050 1.894000 2.533000 
1 1 1  -22   28   13 o   5.8590   1.3100   6.5280   1.8050   5.1900   1.8980 1.338000 2.619000 
1 1 1  -22   28   14 o   2.8190   0.9675   3.0010   1.4300   2.6360   1.3040 0.3653000 1.935000 
1 1 1  -22   28   15 o   3.8830   1.1990   4.1620   1.7420   3.6040   1.6490 0.5577000 2.399000 
1 1 1  -22   28   16 o   8.5350   1.1400   9.5290   1.3770   7.5400   1.8170 1.988000 2.280000 
1 1 1  -22   28   17 o   3.7390   1.1750   4.6550   1.8860   2.8220   1.4010 1.834000 2.349000 
1 1 1  -22   28   18 o   5.2870   1.3590   6.2680   1.9760   4.3050   1.8650 1.964000 2.718000 
1 1 1  -22   28   19 o   6.1130   1.3400   5.8640   1.8830   6.3630   1.9070 -0.4991000 2.680000 
1 1 1  -22   28   20 o   3.0540   1.0420   2.5110   1.2590   3.5980   1.6610 -1.088000 2.084000 
1 1 1  -22   28   21 o   2.4480   0.8703   2.4520   1.2320   2.4430   1.2290 0.9078000E-02 1.741000 
1 1 1  -22   28   22 o   2.1510   0.7857   2.2190   1.1390   2.0830   1.0820 0.1362000 1.571000 
1 1 1  -22   30    1 o   5.1620   1.3260   4.7380   1.8350   5.5860   1.9150 -0.8475000 2.653000 
1 1 1  -22   30    2 o   8.6360   1.0740   8.0030   1.6320   9.2690   1.3970 -1.266000 2.149000 
1 1 1  -22   30    3 o   5.4610   1.3400   5.5900   1.8910   5.3310   1.8980 0.2599000 2.679000 
1 1 1  -22   30    4 o   9.5430   0.9539   9.3070   1.3810   9.7790   1.3160 -0.4717000 1.908000 
1 1 1  -22   30    5 o   11.180   0.8137   11.350   1.1150   11.010   1.1860 0.3380000 1.627000 
1 1 1  -22   30    6 o   7.0420   1.2510   6.0240   1.8650   8.0600   1.6670 -2.036000 2.501000 
1 1 1  -22   30    7 o   12.960   0.7316   13.540   0.9443   12.370   1.1180 1.168000 1.463000 
1 1 1  -22   30    8 o   5.6660   1.3440   5.9300   1.8620   5.4010   1.9380 0.5290000 2.688000 
1 1 1  -22   30    9 o   4.7080   1.3000   5.0660   1.8600   4.3500   1.8150 0.7159000 2.599000 
1 1 1  -22   30   10 o   3.2190   1.0730   3.2940   1.5380   3.1440   1.4980 0.1507000 2.147000 
1 1 1  -22   30   11 o   10.510   1.0110   11.440   1.2660   9.5670   1.5770 1.878000 2.023000 
1 1 1  -22   30   12 o   3.0930   1.0560   2.9350   1.4290   3.2500   1.5540 -0.3145000 2.111000 
1 1 1  -22   30   13 o   4.9450   1.3330   5.7010   1.9450   4.1890   1.8220 1.512000 2.665000 
1 1 1  -22   30   14 o   3.7860   1.1820   3.2530   1.5380   4.3180   1.7970 -1.065000 2.365000 
1 1 1  -22   30   15 o   3.1830   1.0580   3.0450   1.4470   3.3200   1.5430 -0.2754000 2.115000 
1 1 1  -22   30   16 o   2.5990   0.9158   2.5800   1.2870   2.6170   1.3040 -0.3768000E-01 1.832000 
1 1 1  -22   30   17 o   3.1280   1.0600   2.9600   1.4390   3.2950   1.5580 -0.3355000 2.121000 
1 1 1  -22   30   18 o   2.6440   0.9277   2.6860   1.3250   2.6020   1.2990 0.8371000E-01 1.855000 
1 1 1  -22   32    1 o   3.8710   1.2320   3.2900   1.5660   4.4510   1.9030 -1.161000 2.465000 
1 1 1  -22   32    2 f   3.2700   1.1050   3.1120   1.5010   3.4280   1.6230 -0.3154000 2.210000 
1 1 1  -22   32    3 o   3.1640   1.0740   3.5180   1.6350   2.8100   1.3930 0.7076000 2.148000 
1 1 1  -22   32    4 o   3.7090   1.2050   3.6370   1.6650   3.7820   1.7440 -0.1448000 2.411000 
1 1 1  -22   32    5 o   8.1960   1.1340   8.8770   1.4470   7.5150   1.7470 1.362000 2.269000 
1 1 1  -22   32    6 o   5.8260   1.2720   6.9620   1.7590   4.6900   1.8390 2.271000 2.545000 
1 1 1  -22   32    7 o   3.9990   1.2140   3.7070   1.6470   4.2900   1.7830 -0.5836000 2.427000 
1 1 1  -22   32    8 o   2.8120   0.9637   3.2790   1.5240   2.3460   1.1800 0.9324000 1.927000 
1 1 1  -22   32    9 o   3.2880   1.0900   3.3660   1.5450   3.2110   1.5400 0.1550000 2.181000 
1 1 1  -22   32   10 o   3.2440   1.0810   3.9860   1.7580   2.5030   1.2580 1.483000 2.161000 
1 1 1  -22   32   11 o   3.1520   1.0680   3.6410   1.6730   2.6630   1.3280 0.9788000 2.136000 
1 1 1  -22   32   12 o   4.2370   1.2820   3.6750   1.6680   4.8000   1.9470 -1.126000 2.564000 
1 1 1  -22   32   13 o   2.1500   0.7745   2.2130   1.1230   2.0860   1.0670 0.1277000 1.549000 
1 1 1  -21    1    1 o   11.690   0.2389   11.800   0.3423   11.570   0.3333 0.2291000 0.4778000 
1 1 1  -21    1    2 o   28.560   0.2298   29.030   0.3291   28.090   0.3209 0.9365000 0.4597000 
1 1 1  -21    1    3 o   76.610   0.5586   76.400   0.7880   76.810   0.7918 -0.4033000 1.117000 
1 1 1  -21    1    4 o   39.230   0.2950   39.780   0.4232   38.690   0.4110 1.091000 0.5899000 
1 1 1  -21    1    5 o   27.500   0.2260   27.580   0.3215   27.420   0.3176 0.1519000 0.4519000 
1 1 1  -21    1    6 o   41.110   0.3126   41.730   0.4471   40.490   0.4370 1.237000 0.6252000 
1 1 1  -21    1    7 o   57.630   0.4261   57.990   0.6062   57.270   0.5990 0.7221000 0.8523000 
1 1 1  -21    1    8 o   40.700   0.2699   40.760   0.3824   40.630   0.3809 0.1332000 0.5397000 
1 1 1  -21    1    9 o   59.660   0.3823   59.780   0.5419   59.530   0.5393 0.2500000 0.7645000 
1 1 1  -21    1   10 o   38.230   0.2611   38.250   0.3698   38.220   0.3687 0.3423000E-01 0.5222000 
1 1 1  -21    1   11 o   20.150   0.2459   19.640   0.3496   20.660   0.3460 -1.021000 0.4919000 
1 1 1  -21    1   12 o   43.630   0.4170   44.260   0.5980   43.010   0.5813 1.246000 0.8340000 
1 1 1  -21    1   13 o  101.600   0.6432  101.100   0.9047  102.200   0.9145 -1.090000 1.286000 
1 1 1  -21    1   14 o   57.250   0.3754   57.100   0.5296   57.390   0.5323 -0.2879000 0.7509000 
1 1 1  -21    1   15 o   42.050   0.3428   41.810   0.4822   42.290   0.4874 -0.4814000 0.6856000 
1 1 1  -21    1   16 o   45.860   0.3230   45.610   0.4556   46.110   0.4580 -0.5045000 0.6460000 
1 1 1  -21    1   17 o   28.970   0.2840   29.040   0.4027   28.890   0.4006 0.1461000 0.5680000 
1 1 1  -21    1   18 o   52.650   0.3646   53.050   0.5208   52.250   0.5105 0.8030000 0.7293000 
1 1 1  -21    1   19 o   66.140   0.4377   66.420   0.6227   65.860   0.6154 0.5628000 0.8755000 
1 1 1  -21    1   20 o   54.840   0.4364   55.730   0.6293   53.950   0.6048 1.774000 0.8728000 
1 1 1  -21    1   21 o   34.780   0.4269   35.270   0.6126   34.280   0.5948 0.9906000 0.8539000 
1 1 1  -21    1   22 o   27.440   0.3226   27.540   0.4599   27.340   0.4524 0.1951000 0.6451000 
1 1 1  -21    1   23 o   9.3040   0.7298   9.8360   0.9658   8.7710   1.0940 1.065000 1.460000 
1 1 1  -21    1   24 o   21.380   0.3524   21.180   0.4997   21.570   0.4972 -0.3918000 0.7049000 
1 1 1  -21    1   25 f   3.9600   1.1380   4.5540   1.6890   3.3650   1.5260 1.189000 2.277000 
1 1 1  -21    1   26 o   14.130   0.7163   14.100   1.0400   14.160   0.9849 -0.5047000E-01 1.433000 
1 1 1  -21    1   27 o   27.160   0.3118   27.190   0.4380   27.140   0.4439 0.4934000E-01 0.6236000 
1 1 1  -21    1   28 o   9.8170   0.6662   9.3090   0.9698   10.320   0.9135 -1.016000 1.332000 
1 1 1  -21    1   29 o   14.010   0.5039   13.990   0.7014   14.030   0.7236 -0.3427000E-01 1.008000 
1 1 1  -21    1   30 o   6.8280   1.0540   6.3720   1.5440   7.2840   1.4340 -0.9121000 2.107000 
1 1 1  -21    1   31 o   10.420   0.7511   11.240   1.0210   9.5990   1.1020 1.638000 1.502000 
1 1 1  -21    1   32 o   8.8030   1.1200   9.9340   1.6520   7.6710   1.5130 2.263000 2.240000 
1 1 1  -21    1   33 o   11.740   1.3380   12.250   2.2140   11.240   1.5020 1.008000 2.675000 
1 1 1  -21    1   34 o   11.730   1.0480   11.620   1.7200   11.840   1.1960 -0.2211000 2.095000 
1 1 1  -21    1   35 o   6.7900   1.3060   4.3950   1.9740   9.1860   1.7100 -4.791000 2.612000 
1 1 1  -21    1   36 o   3.6270   1.1650   4.3090   1.8000   2.9440   1.4800 1.365000 2.330000 
1 1 1  -21    1   37 o   3.4300   1.1980   3.7680   1.8040   3.0930   1.5780 0.6748000 2.397000 
1 1 1  -21    3    1 f   56.540   0.3910   56.250   0.5897   56.830   0.5137 -0.5824000 0.7820000 
1 1 1  -21    3    2 o   62.330   0.5654   61.810   0.7933   62.860   0.8057 -1.052000 1.131000 
1 1 1  -21    3    3 o   30.670   0.3238   30.670   0.4574   30.670   0.4585 -0.5095000E-02 0.6476000 
1 1 1  -21    3    4 o   20.830   0.2721   21.430   0.4219   20.230   0.3437 1.205000 0.5441000 
1 1 1  -21    3    5 o   74.140   0.4700   74.170   0.6655   74.100   0.6639 0.7608000E-01 0.9401000 
1 1 1  -21    3    6 o   19.860   0.1842   19.700   0.2621   20.010   0.2589 -0.3100000 0.3685000 
1 1 1  -21    3    7 o   57.890   0.4296   57.830   0.6063   57.960   0.6089 -0.1248000 0.8593000 
1 1 1  -21    3    8 o   37.900   0.2576   37.910   0.3643   37.880   0.3643 0.3608000E-01 0.5152000 
1 1 1  -21    3    9 o   37.670   0.2590   37.200   0.3635   38.130   0.3689 -0.9226000 0.5179000 
1 1 1  -21    3   10 o   26.060   0.2482   25.800   0.3499   26.320   0.3520 -0.5256000 0.4963000 
1 1 1  -21    3   11 o   52.560   0.3967   52.320   0.5594   52.800   0.5626 -0.4756000 0.7934000 
1 1 1  -21    3   12 o  109.100   0.7979  109.200   1.1290  109.100   1.1270 0.9301000E-01 1.596000 
1 1 1  -21    3   13 o   89.840   0.6601   89.450   0.9298   90.230   0.9372 -0.7799000 1.320000 
1 1 1  -21    3   14 o   25.660   0.2509   25.410   0.3549   25.910   0.3546 -0.5049000 0.5017000 
1 1 1  -21    3   15 o   33.850   0.2719   33.990   0.3866   33.710   0.3824 0.2801000 0.5438000 
1 1 1  -21    3   16 o   70.230   0.4563   69.990   0.6434   70.470   0.6472 -0.4787000 0.9126000 
1 1 1  -21    3   17 o   51.140   0.3548   51.160   0.5027   51.120   0.5010 0.3428000E-01 0.7097000 
1 1 1  -21    3   18 o   55.880   0.3810   55.990   0.5401   55.760   0.5375 0.2201000 0.7620000 
1 1 1  -21    3   19 o   47.810   0.3460   47.890   0.4914   47.740   0.4873 0.1471000 0.6920000 
1 1 1  -21    3   20 o   26.880   0.3696   27.020   0.5292   26.750   0.5162 0.2724000 0.7393000 
1 1 1  -21    3   21 o   30.940   0.3536   31.180   0.4917   30.700   0.5084 0.4799000 0.7073000 
1 1 1  -21    3   22 o   15.900   0.4449   15.610   0.6385   16.180   0.6198 -0.5639000 0.8899000 
1 1 1  -21    3   23 o   5.7440   1.0990   5.8320   1.5540   5.6560   1.5540 0.1752000 2.198000 
1 1 1  -21    3   24 o   5.7110   1.0780   6.2480   1.4760   5.1740   1.5710 1.074000 2.156000 
1 1 1  -21    3   25 o   25.770   0.3703   26.450   0.5049   25.080   0.5417 1.365000 0.7405000 
1 1 1  -21    3   26 o   17.890   0.4746   18.130   0.6906   17.660   0.6511 0.4620000 0.9491000 
1 1 1  -21    3   27 o   29.680   0.3295   29.500   0.4899   29.850   0.4408 -0.3484000 0.6590000 
1 1 1  -21    3   28 o   22.300   0.4192   22.570   0.6801   22.020   0.4905 0.5537000 0.8385000 
1 1 1  -21    3   29 o   24.720   0.4135   24.800   0.6711   24.640   0.4833 0.1615000 0.8271000 
1 1 1  -21    3   30 o   17.950   0.5160   18.180   0.8200   17.720   0.6264 0.4651000 1.032000 
1 1 1  -21    3   31 o   5.7370   1.2980   5.2700   1.9850   6.2040   1.6720 -0.9343000 2.595000 
1 1 1  -21    3   32 o   13.730   0.6124   14.160   0.8602   13.310   0.8718 0.8562000 1.225000 
1 1 1  -21    3   33 o   6.0950   1.4480   6.7040   2.0180   5.4860   2.0780 1.218000 2.897000 
1 1 1  -21    3   34 o   18.750   0.6347   18.470   0.9532   19.030   0.8384 -0.5559000 1.269000 
1 1 1  -21    3   35 o   11.120   0.8651   10.070   1.3280   12.180   1.1090 -2.115000 1.730000 
1 1 1  -21    3   36 o   6.2090   1.2150   8.1160   1.6510   4.3010   1.7840 3.815000 2.431000 
1 1 1  -21    3   37 o   2.9630   1.0320   3.0750   1.5010   2.8500   1.4150 0.2250000 2.063000 
1 1 1  -21    5    1 o   18.660   0.1926   18.780   0.2748   18.540   0.2698 0.2457000 0.3851000 
1 1 1  -21    5    2 o   41.830   0.2780   41.740   0.3922   41.920   0.3940 -0.1756000 0.5559000 
1 1 1  -21    5    3 o   30.380   0.2217   29.960   0.3102   30.800   0.3168 -0.8405000 0.4434000 
1 1 1  -21    5    4 o   47.790   0.3125   47.880   0.4424   47.690   0.4414 0.1875000 0.6249000 
1 1 1  -21    5    5 o   53.920   0.3489   54.450   0.4977   53.380   0.4892 1.075000 0.6978000 
1 1 1  -21    5    6 o   23.760   0.2447   23.860   0.3407   23.660   0.3513 0.1995000 0.4894000 
1 1 1  -21    5    7 o   10.740   0.4025   11.290   0.5326   10.190   0.6038 1.096000 0.8051000 
1 1 1  -21    5    8 f   50.730   0.3830   51.030   0.5442   50.420   0.5390 0.6058000 0.7659000 
1 1 1  -21    5    9 o   38.370   0.3073   38.320   0.4339   38.410   0.4353 -0.8972000E-01 0.6146000 
1 1 1  -21    5   10 o   28.580   0.2615   29.270   0.4018   27.900   0.3349 1.371000 0.5231000 
1 1 1  -21    5   11 o   11.180   0.3717   11.380   0.4994   10.980   0.5508 0.4069000 0.7435000 
1 1 1  -21    5   12 o   38.490   0.3244   38.460   0.4604   38.510   0.4571 -0.4633000E-01 0.6488000 
1 1 1  -21    5   13 o   37.520   0.2798   37.620   0.3939   37.420   0.3974 0.2053000 0.5595000 
1 1 1  -21    5   14 f   50.770   0.3445   50.430   0.4836   51.110   0.4907 -0.6853000 0.6889000 
1 1 1  -21    5   15 o   28.050   0.2763   28.060   0.3885   28.030   0.3931 0.2693000E-01 0.5527000 
1 1 1  -21    5   16 o   55.560   0.3767   55.530   0.5327   55.600   0.5327 -0.7048000E-01 0.7534000 
1 1 1  -21    5   17 o   61.520   0.4449   60.740   0.5749   62.290   0.6790 -1.550000 0.8897000 
1 1 1  -21    5   18 o   73.090   0.4778   73.150   0.6768   73.040   0.6747 0.1098000 0.9557000 
1 1 1  -21    5   19 o   72.890   0.5530   73.210   0.7871   72.570   0.7770 0.6388000 1.106000 
1 1 1  -21    5   20 o   25.830   0.3554   25.540   0.4785   26.130   0.5257 -0.5959000 0.7108000 
1 1 1  -21    5   21 o   33.760   0.3532   33.620   0.4927   33.910   0.5062 -0.2890000 0.7064000 
1 1 1  -21    5   22 o   24.600   0.3344   24.870   0.4697   24.330   0.4762 0.5451000 0.6689000 
1 1 1  -21    5   23 o   13.750   0.5805   14.920   0.8827   12.590   0.7541 2.331000 1.161000 
1 1 1  -21    5   24 o   27.850   0.4848   28.850   0.8157   26.850   0.5242 1.996000 0.9696000 
1 1 1  -21    5   25 o   4.0350   1.1730   4.1210   1.7490   3.9480   1.5650 0.1731000 2.347000 
1 1 1  -21    5   26 f   8.5210   0.9937   8.1510   1.5900   8.8910   1.1920 -0.7405000 1.987000 
1 1 1  -21    5   27 o   10.160   0.7700   10.220   1.2410   10.100   0.9121 0.1248000 1.540000 
1 1 1  -21    5   28 o   8.7170   0.7700   9.0520   1.0210   8.3820   1.1530 0.6697000 1.540000 
1 1 1  -21    5   29 f   11.020   0.6196   10.970   0.8636   11.070   0.8888 -0.9524000E-01 1.239000 
1 1 1  -21    5   30 o   12.530   0.5885   13.230   0.7612   11.820   0.8977 1.412000 1.177000 
1 1 1  -21    5   31 o   13.130   0.5847   13.330   0.7974   12.930   0.8553 0.3992000 1.169000 
1 1 1  -21    5   32 o   6.1820   1.3460   6.1170   1.9400   6.2480   1.8670 -0.1317000 2.692000 
1 1 1  -21    5   33 o   9.5090   1.0570   8.6580   1.5600   10.360   1.4280 -1.701000 2.115000 
1 1 1  -21    5   34 o   7.8270   1.3320   7.1070   1.9070   8.5480   1.8600 -1.441000 2.664000 
1 1 1  -21    5   35 o   3.0330   1.0340   2.9730   1.4320   3.0930   1.4930 -0.1206000 2.068000 
1 1 1  -21    5   36 o   3.3440   1.1210   4.1180   1.8290   2.5690   1.2960 1.548000 2.241000 
1 1 1  -21    5   37 o   2.2820   0.8238   2.4160   1.2260   2.1480   1.1010 0.2682000 1.648000 
1 1 1  -21    7    1 o   35.690   0.3618   35.640   0.5102   35.730   0.5131 -0.8538000E-01 0.7236000 
1 1 1  -21    7    2 o   19.450   0.3221   19.320   0.4597   19.580   0.4514 -0.2596000 0.6443000 
1 1 1  -21    7    3 o   51.150   0.5924   50.470   0.6649   51.830   0.9806 -1.359000 1.185000 
1 1 1  -21    7    4 o   5.0050   0.9794   5.2920   1.3380   4.7180   1.4310 0.5739000 1.959000 
1 1 1  -21    7    5 o   38.870   0.3846   37.850   0.5312   39.880   0.5563 -2.038000 0.7692000 
1 1 1  -21    7    6 o   64.070   0.4138   63.760   0.5824   64.390   0.5879 -0.6338000 0.8275000 
1 1 1  -21    7    7 o   13.880   0.3211   13.740   0.4558   14.020   0.4526 -0.2841000 0.6423000 
1 1 1  -21    7    8 o   37.870   0.2754   38.000   0.3892   37.740   0.3897 0.2658000 0.5508000 
1 1 1  -21    7    9 o   47.230   0.3215   47.650   0.4572   46.810   0.4520 0.8354000 0.6429000 
1 1 1  -21    7   10 o   54.280   0.3602   54.090   0.5070   54.470   0.5117 -0.3789000 0.7204000 
1 1 1  -21    7   11 o   15.140   0.3989   15.950   0.5524   14.320   0.5755 1.630000 0.7978000 
1 1 1  -21    7   12 o   45.730   0.4172   45.320   0.5264   46.130   0.6474 -0.8053000 0.8344000 
1 1 1  -21    7   13 o   83.560   0.5356   83.790   0.7592   83.340   0.7556 0.4507000 1.071000 
1 1 1  -21    7   14 o   16.550   0.3693   16.670   0.5162   16.430   0.5282 0.2390000 0.7386000 
1 1 1  -21    7   15 o   20.470   0.3392   20.560   0.4660   20.370   0.4931 0.1858000 0.6784000 
1 1 1  -21    7   16 o   15.050   0.4504   15.060   0.6307   15.050   0.6431 0.1417000E-01 0.9008000 
1 1 1  -21    7   17 o   35.570   0.3156   35.500   0.4497   35.640   0.4430 -0.1425000 0.6313000 
1 1 1  -21    7   18 o   52.770   0.6126   52.660   1.0640   52.890   0.6075 -0.2291000 1.225000 
1 1 1  -21    7   19 o   54.380   0.4667   54.590   0.7615   54.160   0.5398 0.4331000 0.9334000 
1 1 1  -21    7   20 o   43.110   0.4275   42.900   0.6559   43.310   0.5485 -0.4182000 0.8550000 
1 1 1  -21    7   21 o   33.480   0.4012   33.090   0.6152   33.870   0.5152 -0.7751000 0.8025000 
1 1 1  -21    7   22 o   31.420   0.3757   32.380   0.6087   30.450   0.4404 1.938000 0.7513000 
1 1 1  -21    7   23 o   21.630   0.4167   22.030   0.5768   21.230   0.6016 0.7953000 0.8334000 
1 1 1  -21    7   24 o   31.520   0.3621   31.490   0.5115   31.550   0.5128 -0.5182000E-01 0.7243000 
1 1 1  -21    7   25 o   3.0080   0.9977   3.0440   1.4270   2.9730   1.3950 0.7155000E-01 1.995000 
1 1 1  -21    7   26 o   7.3790   1.0550   6.4650   1.6660   8.2930   1.2940 -1.828000 2.109000 
1 1 1  -21    7   27 o   11.880   0.5616   12.000   0.7745   11.760   0.8135 0.2472000 1.123000 
1 1 1  -21    7   28 o   4.0880   1.1210   3.9330   1.5600   4.2430   1.6110 -0.3098000 2.243000 
1 1 1  -21    7   29 o   11.280   0.6279   11.750   0.8244   10.800   0.9472 0.9531000 1.256000 
1 1 1  -21    7   30 o   21.150   0.4002   21.520   0.5536   20.780   0.5782 0.7467000 0.8005000 
1 1 1  -21    7   31 o   6.6610   1.1920   7.5800   1.5380   5.7420   1.8200 1.838000 2.383000 
1 1 1  -21    7   32 o   8.1520   1.2670   8.7850   1.7050   7.5180   1.8750 1.268000 2.534000 
1 1 1  -21    7   33 o   4.2970   1.2860   4.4270   1.7970   4.1670   1.8390 0.2603000 2.572000 
1 1 1  -21    7   34 o   5.0910   1.3520   5.0840   1.8850   5.0990   1.9390 -0.1452000E-01 2.704000 
1 1 1  -21    7   35 o   8.3860   1.1670   8.1150   1.6300   8.6570   1.6700 -0.5424000 2.334000 
1 1 1  -21    7   36 o   3.0610   1.0550   2.3900   1.2110   3.7330   1.7270 -1.342000 2.109000 
1 1 1  -21    7   37 o   2.7410   0.9682   2.3320   1.1850   3.1500   1.5310 -0.8182000 1.936000 
1 1 1  -21    9    1 o   25.820   0.2440   26.060   0.3456   25.580   0.3445 0.4807000 0.4880000 
1 1 1  -21    9    2 o   20.140   0.2557   19.930   0.3656   20.350   0.3576 -0.4252000 0.5114000 
1 1 1  -21    9    3 f   24.310   0.2464   23.970   0.3499   24.650   0.3471 -0.6799000 0.4928000 
1 1 1  -21    9    4 o   44.690   0.3077   44.730   0.4348   44.660   0.4356 0.6533000E-01 0.6155000 
1 1 1  -21    9    5 o   65.230   0.4227   64.830   0.5938   65.620   0.6016 -0.7947000 0.8453000 
1 1 1  -21    9    6 o   61.740   0.4031   61.530   0.5677   61.940   0.5724 -0.4111000 0.8062000 
1 1 1  -21    9    7 o   8.8370   0.5651   8.7100   0.7921   8.9650   0.8061 -0.2546000 1.130000 
1 1 1  -21    9    8 o   74.260   0.4784   74.520   0.6790   73.990   0.6740 0.5241000 0.9568000 
1 1 1  -21    9    9 f   41.260   0.3025   41.070   0.4264   41.460   0.4293 -0.3886000 0.6050000 
1 1 1  -21    9   10 o   73.340   0.5498   73.890   0.7835   72.800   0.7716 1.086000 1.100000 
1 1 1  -21    9   11 o   76.600   0.5731   76.280   0.8075   76.930   0.8134 -0.6521000 1.146000 
1 1 1  -21    9   12 o   72.480   0.5795   72.590   0.9481   72.370   0.6667 0.2119000 1.159000 
1 1 1  -21    9   13 o   63.430   0.5167   63.280   0.8423   63.580   0.5987 -0.3002000 1.033000 
1 1 1  -21    9   14 o   13.080   0.6236   13.540   0.9726   12.610   0.7807 0.9255000 1.247000 
1 1 1  -21    9   15 o   10.030   0.8433   11.880   1.1280   8.1790   1.2540 3.704000 1.687000 
1 1 1  -21    9   16 o   8.7660   1.4170   8.9090   2.4270   8.6240   1.4640 0.2857000 2.835000 
1 1 1  -21    9   17 o   52.560   0.6233   52.960   1.0860   52.160   0.6117 0.7993000 1.247000 
1 1 1  -21    9   18 o   53.980   0.3830   54.090   0.5430   53.870   0.5403 0.2153000 0.7660000 
1 1 1  -21    9   19 o   23.160   0.3669   23.890   0.5019   22.420   0.5355 1.469000 0.7339000 
1 1 1  -21    9   20 o   20.510   0.4193   20.810   0.5779   20.200   0.6077 0.6093000 0.8386000 
1 1 1  -21    9   21 o   24.070   0.3488   24.240   0.4834   23.900   0.5030 0.3431000 0.6976000 
1 1 1  -21    9   22 o   8.7320   0.9444   7.9540   1.3680   9.5110   1.3020 -1.557000 1.889000 
1 1 1  -21    9   23 o   20.110   0.3732   19.670   0.5330   20.560   0.5225 -0.8934000 0.7464000 
1 1 1  -21    9   24 o   3.6680   1.0760   3.3470   1.4570   3.9890   1.5840 -0.6413000 2.152000 
1 1 1  -21    9   25 o   16.790   0.4924   16.370   0.7235   17.220   0.6682 -0.8499000 0.9848000 
1 1 1  -21    9   26 o   22.320   0.3557   22.960   0.4890   21.680   0.5166 1.280000 0.7114000 
1 1 1  -21    9   27 o   28.370   0.3281   28.480   0.4603   28.250   0.4677 0.2294000 0.6562000 
1 1 1  -21    9   28 o   11.020   0.6512   11.230   0.8624   10.810   0.9760 0.4210000 1.302000 
1 1 1  -21    9   29 o   10.010   0.7260   9.8900   1.0040   10.120   1.0490 -0.2345000 1.452000 
1 1 1  -21    9   30 o   9.0130   0.8764   10.090   1.0690   7.9370   1.3890 2.152000 1.753000 
1 1 1  -21    9   31 o   13.170   0.7583   13.110   1.1090   13.230   1.0340 -0.1205000 1.517000 
1 1 1  -21    9   32 o   16.330   0.5553   15.950   0.7754   16.700   0.7950 -0.7495000 1.111000 
1 1 1  -21    9   33 o   8.5040   1.2490   8.8840   1.6110   8.1240   1.9080 0.7603000 2.497000 
1 1 1  -21    9   34 o   12.240   0.7797   11.200   1.1600   13.280   1.0420 -2.081000 1.559000 
1 1 1  -21    9   35 o   4.2850   1.3160   4.2040   1.8180   4.3650   1.9030 -0.1601000 2.631000 
1 1 1  -21    9   36 o   2.5920   0.9081   2.5040   1.2470   2.6790   1.3210 -0.1749000 1.816000 
1 1 1  -21   11    1 o   32.630   0.2731   32.800   0.3854   32.470   0.3871 0.3302000 0.5463000 
1 1 1  -21   11    2 o   46.650   0.3246   46.500   0.4567   46.800   0.4614 -0.3019000 0.6492000 
1 1 1  -21   11    3 o   46.940   0.3257   46.760   0.4582   47.120   0.4631 -0.3628000 0.6515000 
1 1 1  -21   11    4 o   22.520   0.2849   21.790   0.4024   23.250   0.4035 -1.462000 0.5698000 
1 1 1  -21   11    5 o   12.290   0.5117   11.450   0.8013   13.130   0.6366 -1.674000 1.023000 
1 1 1  -21   11    6 o   53.470   0.4470   52.900   0.7268   54.030   0.5205 -1.126000 0.8940000 
1 1 1  -21   11    7 o   41.360   0.4040   41.180   0.6260   41.530   0.5109 -0.3489000 0.8080000 
1 1 1  -21   11    8 o   45.210   0.4258   45.380   0.6628   45.040   0.5348 0.3350000 0.8517000 
1 1 1  -21   11    9 o   55.070   0.4885   55.250   0.7591   54.880   0.6150 0.3716000 0.9770000 
1 1 1  -21   11   10 o   55.500   0.4697   55.790   0.7701   55.220   0.5378 0.5701000 0.9393000 
1 1 1  -21   11   11 o   71.380   0.5755   71.780   0.9429   70.990   0.6602 0.7976000 1.151000 
1 1 1  -21   11   12 o   42.550   0.3347   42.330   0.4740   42.780   0.4728 -0.4456000 0.6695000 
1 1 1  -21   11   13 o   34.820   0.3226   35.160   0.4539   34.480   0.4585 0.6815000 0.6452000 
1 1 1  -21   11   14 o   36.150   0.4168   36.470   0.6362   35.830   0.5387 0.6327000 0.8336000 
1 1 1  -21   11   15 o   41.280   0.3932   41.380   0.5511   41.180   0.5611 0.1997000 0.7865000 
1 1 1  -21   11   16 o   66.350   0.4465   66.230   0.6285   66.460   0.6342 -0.2345000 0.8929000 
1 1 1  -21   11   17 o   63.090   0.4311   63.140   0.6080   63.050   0.6114 0.9429000E-01 0.8622000 
1 1 1  -21   11   18 o   33.020   0.3344   33.290   0.4654   32.750   0.4802 0.5374000 0.6688000 
1 1 1  -21   11   19 o   16.990   0.4955   17.280   0.6743   16.700   0.7262 0.5866000 0.9910000 
1 1 1  -21   11   20 o   29.290   0.3838   29.210   0.5152   29.380   0.5689 -0.1762000 0.7675000 
1 1 1  -21   11   21 o   21.760   0.4221   21.470   0.5670   22.050   0.6254 -0.5812000 0.8442000 
1 1 1  -21   11   22 o   31.500   0.3465   31.850   0.4495   31.140   0.5274 0.7027000 0.6930000 
1 1 1  -21   11   23 o   10.200   0.6885   10.360   0.9590   10.030   0.9881 0.3250000 1.377000 
1 1 1  -21   11   24 o   4.1120   1.1930   3.9310   1.6520   4.2920   1.7200 -0.3610000 2.385000 
1 1 1  -21   11   25 o   16.480   0.5199   16.190   0.7510   16.780   0.7192 -0.5825000 1.040000 
1 1 1  -21   11   26 o   9.2530   0.7697   8.9110   1.1000   9.5960   1.0770 -0.6851000 1.539000 
1 1 1  -21   11   27 o   19.750   0.3995   19.880   0.5463   19.610   0.5831 0.2641000 0.7990000 
1 1 1  -21   11   28 o   10.560   0.7087   10.550   0.9605   10.580   1.0420 -0.2788000E-01 1.417000 
1 1 1  -21   11   29 o   16.730   0.4927   17.070   0.6559   16.400   0.7355 0.6681000 0.9854000 
1 1 1  -21   11   30 o   9.5380   1.0590   9.2450   1.5140   9.8300   1.4800 -0.5848000 2.117000 
1 1 1  -21   11   31 o   5.3130   1.2680   6.2450   1.7920   4.3800   1.7950 1.865000 2.536000 
1 1 1  -21   11   32 o   12.200   0.7990   12.070   1.0130   12.320   1.2360 -0.2448000 1.598000 
1 1 1  -21   11   33 o   4.1760   1.2610   4.8770   1.9130   3.4750   1.6430 1.402000 2.522000 
1 1 1  -21   11   34 o   3.5110   1.1640   3.2110   1.5430   3.8110   1.7420 -0.5999000 2.327000 
1 1 1  -21   11   35 o   5.3560   1.3370   5.3720   1.9120   5.3400   1.8680 0.3262000E-01 2.673000 
1 1 1  -21   11   36 o   2.2450   1.1530   2.2450   1.1530  ?   ?       ?      ? 
1 1 1  -21   13    1 o   46.960   0.4401   46.780   0.6822   47.140   0.5563 -0.3551000 0.8803000 
1 1 1  -21   13    2 o   53.130   0.4778   53.490   0.7460   52.760   0.5972 0.7315000 0.9556000 
1 1 1  -21   13    3 o   66.920   0.5718   67.100   0.8887   66.740   0.7198 0.3648000 1.144000 
1 1 1  -21   13    4 o   61.920   0.5367   62.200   0.8354   61.640   0.6739 0.5671000 1.073000 
1 1 1  -21   13    5 o   51.990   0.4218   52.030   0.5953   51.950   0.5976 0.8022000E-01 0.8435000 
1 1 1  -21   13    6 o   84.640   0.5459   84.320   0.7681   84.960   0.7760 -0.6412000 1.092000 
1 1 1  -21   13    7 o   20.540   0.4342   21.760   0.5627   19.310   0.6614 2.444000 0.8684000 
1 1 1  -21   13    8 o   48.460   0.3527   48.220   0.4919   48.700   0.5056 -0.4784000 0.7054000 
1 1 1  -21   13    9 f   57.920   0.3995   58.150   0.5642   57.690   0.5657 0.4600000 0.7990000 
1 1 1  -21   13   10 o   61.600   0.4850   61.770   0.6860   61.440   0.6857 0.3283000 0.9700000 
1 1 1  -21   13   11 o   84.090   0.6313   84.520   0.8968   83.670   0.8888 0.8506000 1.263000 
1 1 1  -21   13   12 o   6.7690   1.3560   6.6700   1.9390   6.8680   1.8970 -0.1980000 2.712000 
1 1 1  -21   13   13 o   67.330   0.4901   66.890   0.7383   67.780   0.6449 -0.8952000 0.9803000 
1 1 1  -21   13   14 o   33.240   0.3427   32.910   0.4783   33.570   0.4909 -0.6626000 0.6854000 
1 1 1  -21   13   15 o   24.590   0.3797   24.640   0.5230   24.540   0.5507 0.1016000 0.7594000 
1 1 1  -21   13   16 o   6.0700   1.2410   5.9000   1.7300   6.2410   1.7800 -0.3409000 2.482000 
1 1 1  -21   13   17 o   19.560   0.4338   19.960   0.5720   19.160   0.6524 0.8013000 0.8676000 
1 1 1  -21   13   18 o   48.460   0.4154   48.430   0.5817   48.490   0.5931 -0.5637000E-01 0.8308000 
1 1 1  -21   13   19 o   31.890   0.3810   31.570   0.5214   32.210   0.5557 -0.6429000 0.7620000 
1 1 1  -21   13   20 o   11.760   0.6148   11.890   0.8325   11.640   0.9048 0.2493000 1.230000 
1 1 1  -21   13   21 f   18.890   0.4084   18.130   0.5766   19.660   0.5784 -1.536000 0.8167000 
1 1 1  -21   13   22 o   14.670   0.5003   15.030   0.6723   14.310   0.7411 0.7116000 1.001000 
1 1 1  -21   13   23 o   13.410   0.6175   13.900   0.8656   12.910   0.8809 0.9936000 1.235000 
1 1 1  -21   13   24 o   11.900   0.7017   12.450   0.9269   11.340   1.0540 1.113000 1.403000 
1 1 1  -21   13   25 o   8.3270   0.8708   7.1990   1.3570   9.4550   1.0910 -2.256000 1.742000 
1 1 1  -21   13   26 o   6.0420   1.1520   5.3280   1.6600   6.7560   1.5960 -1.428000 2.303000 
1 1 1  -21   13   27 o   11.240   0.6886   11.710   0.9215   10.780   1.0240 0.9296000 1.377000 
1 1 1  -21   13   28 o   10.600   0.8503   10.930   1.2510   10.270   1.1520 0.6622000 1.701000 
1 1 1  -21   13   29 o   5.7500   1.3720   6.2030   1.9100   5.2960   1.9700 0.9068000 2.744000 
1 1 1  -21   13   30 o   6.9870   1.2360   6.4320   1.7560   7.5420   1.7410 -1.110000 2.473000 
1 1 1  -21   13   31 o   10.310   0.9154   11.580   1.0430   9.0470   1.5050 2.532000 1.831000 
1 1 1  -21   13   32 o   8.8020   1.2180   10.120   1.3840   7.4850   2.0060 2.633000 2.437000 
1 1 1  -21   13   33 o   3.1820   1.0860   2.7440   1.3600   3.6200   1.6950 -0.8767000 2.173000 
1 1 1  -21   13   34 o   2.8980   0.9935   3.0970   1.4790   2.6990   1.3270 0.3985000 1.987000 
1 1 1  -21   13   35 o   3.4860   1.1240   3.2760   1.5230   3.6960   1.6530 -0.4198000 2.248000 
1 1 1  -21   15    1 o   9.0400   1.0080   7.6810   1.6130   10.400   1.2110 -2.717000 2.017000 
1 1 1  -21   15    2 o   9.0420   0.9699   9.8300   1.2340   8.2550   1.4960 1.575000 1.940000 
1 1 1  -21   15    3 o   65.000   0.5025   65.020   0.7106   64.990   0.7108 0.3212000E-01 1.005000 
1 1 1  -21   15    4 o  107.400   0.7932  107.400   1.1220  107.400   1.1220 -0.1640000E-01 1.586000 
1 1 1  -21   15    5 o   33.910   0.4261   33.260   0.5255   34.570   0.6708 -1.313000 0.8521000 
1 1 1  -21   15    6 o   69.900   0.5365   69.800   0.7559   69.990   0.7615 -0.1890000 1.073000 
1 1 1  -21   15    7 o   49.240   0.4215   49.220   0.5905   49.270   0.6015 -0.4971000E-01 0.8429000 
1 1 1  -21   15    8 o   34.420   0.3916   34.250   0.5396   34.580   0.5677 -0.3306000 0.7832000 
1 1 1  -21   15    9 o   21.660   0.4108   21.670   0.5553   21.650   0.6056 0.1798000E-01 0.8217000 
1 1 1  -21   15   10 o   22.560   0.4018   22.690   0.5348   22.440   0.5998 0.2500000 0.8036000 
1 1 1  -21   15   11 o   24.260   0.4019   23.930   0.5583   24.590   0.5781 -0.6580000 0.8037000 
1 1 1  -21   15   12 o   42.010   0.3539   41.980   0.4923   42.040   0.5085 -0.5913000E-01 0.7078000 
1 1 1  -21   15   13 o   40.670   0.3527   40.780   0.4930   40.560   0.5045 0.2193000 0.7053000 
1 1 1  -21   15   14 o   4.2490   1.2330   3.9280   1.6680   4.5700   1.8160 -0.6419000 2.465000 
1 1 1  -21   15   15 o   5.8630   1.2690   5.5220   1.7760   6.2040   1.8140 -0.6821000 2.539000 
1 1 1  -21   15   16 o   14.350   0.7876   16.090   0.8877   12.610   1.3010 3.482000 1.575000 
1 1 1  -21   15   17 o   26.890   0.4757   27.520   0.6293   26.260   0.7135 1.262000 0.9514000 
1 1 1  -21   15   18 o   13.060   0.5956   12.250   0.8670   13.870   0.8167 -1.625000 1.191000 
1 1 1  -21   15   19 o   22.260   0.3748   22.330   0.5152   22.180   0.5444 0.1496000 0.7496000 
1 1 1  -21   15   20 o   22.400   0.3687   23.060   0.4906   21.730   0.5507 1.332000 0.7375000 
1 1 1  -21   15   21 o   32.660   0.3228   32.740   0.4479   32.590   0.4649 0.1461000 0.6456000 
1 1 1  -21   15   22 o   25.690   0.4023   25.670   0.5788   25.700   0.5590 -0.3036000E-01 0.8046000 
1 1 1  -21   15   23 o   7.6400   1.3460   7.9910   2.1210   7.2880   1.6580 0.7034000 2.692000 
1 1 1  -21   15   24 o   2.9020   0.9656   3.0010   1.3880   2.8030   1.3430 0.1982000 1.931000 
1 1 1  -21   15   25 o   9.0260   0.8558   8.1330   1.2710   9.9200   1.1460 -1.787000 1.712000 
1 1 1  -21   15   26 f   5.8460   1.2180   5.2050   1.7320   6.4870   1.7140 -1.282000 2.437000 
1 1 1  -21   15   27 o   12.230   0.8450   11.730   1.2120   12.730   1.1780 -0.9984000 1.690000 
1 1 1  -21   15   28 o   3.9590   1.2310   3.4100   1.5560   4.5080   1.9090 -1.098000 2.463000 
1 1 1  -21   15   29 o   16.100   0.5856   16.260   0.7599   15.940   0.8911 0.3232000 1.171000 
1 1 1  -21   15   30 o   13.840   0.6915   13.420   0.9504   14.260   1.0050 -0.8445000 1.383000 
1 1 1  -21   15   31 o   5.3920   1.3230   6.7940   1.9420   3.9900   1.7970 2.804000 2.646000 
1 1 1  -21   15   32 o   3.7300   1.2080   4.3130   1.8610   3.1460   1.5400 1.167000 2.415000 
1 1 1  -21   15   33 o   2.9600   1.0080   3.1240   1.4810   2.7950   1.3670 0.3284000 2.015000 
1 1 1  -21   15   34 o   2.5370   0.8917   2.8220   1.3740   2.2510   1.1370 0.5711000 1.783000 
1 1 1  -21   17    1 f   36.280   0.3436   36.170   0.4834   36.390   0.4883 -0.2199000 0.6871000 
1 1 1  -21   17    2 o   25.920   0.3743   26.340   0.5197   25.500   0.5388 0.8414000 0.7486000 
1 1 1  -21   17    3 o   17.840   0.4910   18.120   0.6753   17.560   0.7131 0.5515000 0.9821000 
1 1 1  -21   17    4 o   40.650   0.3452   41.060   0.4873   40.230   0.4891 0.8240000 0.6905000 
1 1 1  -21   17    5 f   23.540   0.4073   23.890   0.5529   23.180   0.5983 0.7032000 0.8146000 
1 1 1  -21   17    6 o   48.420   0.3709   48.400   0.5185   48.440   0.5304 -0.3863000E-01 0.7417000 
1 1 1  -21   17    7 o   27.620   0.3762   27.230   0.5171   28.010   0.5464 -0.7727000 0.7523000 
1 1 1  -21   17    8 o   19.610   0.4664   19.530   0.6326   19.690   0.6855 -0.1543000 0.9328000 
1 1 1  -21   17    9 o   9.5780   0.9258   8.1970   1.4370   10.960   1.1680 -2.761000 1.852000 
1 1 1  -21   17   10 o   13.340   0.6473   14.020   0.8300   12.650   0.9936 1.367000 1.295000 
1 1 1  -21   17   11 o   34.000   0.3827   35.460   0.4754   32.550   0.5998 2.906000 0.7653000 
1 1 1  -21   17   12 o   37.610   0.3489   37.610   0.4886   37.610   0.4981 0.8881000E-02 0.6977000 
1 1 1  -21   17   13 o   31.270   0.4130   31.120   0.5616   31.420   0.6057 -0.2958000 0.8260000 
1 1 1  -21   17   14 o   11.490   0.9700   12.470   1.1410   10.520   1.5690 1.945000 1.940000 
1 1 1  -21   17   15 o   6.5140   1.2310   5.0460   1.8420   7.9830   1.6340 -2.937000 2.462000 
1 1 1  -21   17   16 f   12.950   0.6228   13.780   0.8101   12.120   0.9463 1.662000 1.246000 
1 1 1  -21   17   17 o   6.0480   1.1940   5.7030   1.6930   6.3930   1.6850 -0.6901000 2.388000 
1 1 1  -21   17   18 f   34.370   0.3362   34.570   0.4688   34.170   0.4820 0.3951000 0.6724000 
1 1 1  -21   17   19 o   18.780   0.4173   17.930   0.5931   19.640   0.5872 -1.703000 0.8347000 
1 1 1  -21   17   20 o   10.520   0.7238   11.460   0.8931   9.5720   1.1390 1.890000 1.448000 
1 1 1  -21   17   21 o   6.2670   1.2770   6.2430   1.7930   6.2910   1.8190 -0.4832000E-01 2.554000 
1 1 1  -21   17   22 o   28.250   0.3535   28.190   0.4845   28.320   0.5148 -0.1233000 0.7070000 
1 1 1  -21   17   23 o   13.300   0.5957   13.900   0.7795   12.700   0.9009 1.202000 1.191000 
1 1 1  -21   17   24 o   18.730   0.4533   18.360   0.6308   19.110   0.6512 -0.7505000 0.9066000 
1 1 1  -21   17   25 o   4.6570   1.3180   4.0940   1.7870   5.2200   1.9390 -1.126000 2.637000 
1 1 1  -21   17   26 o   7.9140   1.3210   7.7410   1.8170   8.0880   1.9170 -0.3467000 2.641000 
1 1 1  -21   17   27 o   5.2900   1.1860   6.7520   1.6520   3.8280   1.7020 2.923000 2.372000 
1 1 1  -21   17   28 o   12.630   0.7326   12.360   0.9814   12.890   1.0880 -0.5327000 1.465000 
1 1 1  -21   17   29 o   5.5620   1.2840   6.7120   1.7770   4.4130   1.8540 2.299000 2.568000 
1 1 1  -21   17   30 f   11.970   0.9456   11.650   1.2930   12.290   1.3800 -0.6350000 1.891000 
1 1 1  -21   17   31 o   3.8220   1.2650   3.8090   1.7280   3.8350   1.8470 -0.2633000E-01 2.529000 
1 1 1  -21   17   32 o   2.7530   0.9747   2.5220   1.2540   2.9840   1.4920 -0.4624000 1.949000 
1 1 1  -21   17   33 o   2.2910   0.8231   2.4720   1.2300   2.1090   1.0940 0.3623000 1.646000 
1 1 1  -21   19    1 o   24.530   0.3910   24.100   0.5534   24.970   0.5524 -0.8739000 0.7819000 
1 1 1  -21   19    2 o   26.120   0.3986   26.900   0.5130   25.340   0.6103 1.557000 0.7973000 
1 1 1  -21   19    3 o   11.660   0.7092   11.670   0.9849   11.650   1.0210 0.2112000E-01 1.418000 
1 1 1  -21   19    4 o   32.700   0.3406   33.060   0.4761   32.340   0.4872 0.7128000 0.6812000 
1 1 1  -21   19    5 o   30.480   0.3560   30.120   0.4910   30.840   0.5156 -0.7185000 0.7120000 
1 1 1  -21   19    6 o   4.3500   1.1730   5.4800   1.7910   3.2200   1.5160 2.259000 2.346000 
1 1 1  -21   19    7 o   12.220   0.8270   12.350   1.0300   12.090   1.2940 0.2579000 1.654000 
1 1 1  -21   19    8 o   4.5770   1.2890   3.3260   1.5450   5.8280   2.0640 -2.502000 2.578000 
1 1 1  -21   19    9 o   15.290   0.6490   14.850   0.8544   15.730   0.9770 -0.8774000 1.298000 
1 1 1  -21   19   10 o   9.8020   1.1840   9.3960   1.6680   10.210   1.6800 -0.8121000 2.368000 
1 1 1  -21   19   11 o   7.6250   1.2230   7.3830   1.7400   7.8670   1.7200 -0.4833000 2.447000 
1 1 1  -21   19   12 o   18.740   0.5168   19.060   0.6981   18.420   0.7623 0.6396000 1.034000 
1 1 1  -21   19   13 o   23.330   0.3790   22.950   0.5090   23.700   0.5616 -0.7510000 0.7580000 
1 1 1  -21   19   14 o   35.390   0.3630   35.600   0.5338   35.170   0.4922 0.4242000 0.7261000 
1 1 1  -21   19   15 o   13.110   0.6026   13.050   0.8232   13.170   0.8802 -0.1191000 1.205000 
1 1 1  -21   19   16 o   16.170   0.4939   16.470   0.6596   15.880   0.7354 0.5857000 0.9879000 
1 1 1  -21   19   17 o   12.300   0.6293   12.280   0.8739   12.310   0.9057 -0.2485000E-01 1.259000 
1 1 1  -21   19   18 o   11.700   0.6753   11.160   0.9562   12.240   0.9539 -1.081000 1.351000 
1 1 1  -21   19   19 o   15.300   0.6155   15.480   0.8526   15.120   0.8879 0.3535000 1.231000 
1 1 1  -21   19   20 f   18.550   0.5302   19.030   0.7378   18.070   0.7617 0.9634000 1.060000 
1 1 1  -21   19   21 o   15.480   0.5388   15.720   0.7202   15.230   0.8016 0.4884000 1.078000 
1 1 1  -21   19   22 o   19.110   0.4645   19.180   0.6326   19.050   0.6804 0.1316000 0.9291000 
1 1 1  -21   19   23 o   20.690   0.5522   20.720   0.7847   20.660   0.7772 0.6002000E-01 1.104000 
1 1 1  -21   19   24 o   5.2440   1.4140   5.6440   2.0380   4.8440   1.9600 0.8000000 2.828000 
1 1 1  -21   19   25 o   5.0890   1.3190   4.9810   1.8150   5.1960   1.9160 -0.2148000 2.639000 
1 1 1  -21   19   26 o   5.7530   1.2560   7.0530   1.7120   4.4530   1.8390 2.600000 2.512000 
1 1 1  -21   19   27 o   6.5960   1.3680   4.0450   1.7090   9.1480   2.1360 -5.104000 2.735000 
1 1 1  -21   19   28 o   4.1290   1.3030   3.9180   1.7080   4.3400   1.9690 -0.4222000 2.607000 
1 1 1  -21   19   29 o   4.8050   1.5000   5.1950   2.1000   4.4150   2.1410 0.7803000 2.999000 
1 1 1  -21   19   30 o   5.0420   1.3570   3.8890   1.6960   6.1940   2.1190 -2.305000 2.714000 
1 1 1  -21   19   31 o   3.9570   1.2130   3.9860   1.7150   3.9280   1.7160 0.5852000E-01 2.426000 
1 1 1  -21   21    1 o   33.140   0.3939   33.000   0.5643   33.270   0.5497 -0.2656000 0.7877000 
1 1 1  -21   21    2 o   21.720   0.4663   21.640   0.6760   21.800   0.6424 -0.1604000 0.9325000 
1 1 1  -21   21    3 o   9.1940   0.9954   9.9740   1.2990   8.4140   1.5090 1.560000 1.991000 
1 1 1  -21   21    4 o   15.510   0.5997   15.180   0.8829   15.850   0.8118 -0.6686000 1.199000 
1 1 1  -21   21    5 o   15.000   0.6404   13.790   0.9452   16.200   0.8643 -2.415000 1.281000 
1 1 1  -21   21    6 o   26.770   0.4263   26.440   0.5879   27.090   0.6174 -0.6480000 0.8525000 
1 1 1  -21   21    7 o   34.390   0.4516   33.420   0.5527   35.360   0.7145 -1.934000 0.9033000 
1 1 1  -21   21    8 f   11.330   0.7244   10.460   1.0490   12.210   0.9995 -1.751000 1.449000 
1 1 1  -21   21    9 o   19.130   0.4542   19.070   0.6055   19.200   0.6771 -0.1297000 0.9084000 
1 1 1  -21   21   10 o   42.330   0.3475   41.910   0.4793   42.750   0.5032 -0.8422000 0.6949000 
1 1 1  -21   21   11 o   24.180   0.3731   24.310   0.4991   24.050   0.5547 0.2574000 0.7461000 
1 1 1  -21   21   12 o   23.850   0.3712   23.500   0.4952   24.200   0.5531 -0.7000000 0.7424000 
1 1 1  -21   21   13 o   4.7560   1.2040   5.3000   1.6790   4.2110   1.7270 1.089000 2.409000 
1 1 1  -21   21   14 o   12.970   0.5958   13.340   0.7543   12.610   0.9225 0.7362000 1.192000 
1 1 1  -21   21   15 o   5.8120   1.2550   5.8920   1.7530   5.7320   1.7970 0.1600000 2.510000 
1 1 1  -21   21   16 o   29.070   0.3709   28.820   0.5191   29.320   0.5300 -0.5073000 0.7418000 
1 1 1  -21   21   17 o   5.5370   1.3550   5.3430   1.8900   5.7310   1.9410 -0.3875000 2.710000 
1 1 1  -21   21   18 o   12.050   0.8018   12.860   1.0100   11.230   1.2450 1.626000 1.604000 
1 1 1  -21   21   19 o   4.8550   1.2700   4.6410   1.7400   5.0700   1.8490 -0.4291000 2.539000 
1 1 1  -21   21   20 o   13.980   0.6220   14.240   0.8251   13.710   0.9311 0.5352000 1.244000 
1 1 1  -21   21   21 o   4.6510   1.3700   5.1900   2.0210   4.1120   1.8500 1.078000 2.740000 
1 1 1  -21   21   22 o   7.3740   1.5430   7.5580   1.9900   7.1890   2.3590 0.3682000 3.086000 
1 1 1  -21   21   23 o   11.680   0.9617   12.100   1.0280   11.270   1.6250 0.8248000 1.923000 
1 1 1  -21   21   24 o   3.1830   1.0900   2.9690   1.4260   3.3970   1.6480 -0.4273000 2.179000 
1 1 1  -21   21   25 o   8.5400   1.3340   8.9100   1.4670   8.1710   2.2290 0.7392000 2.669000 
1 1 1  -21   21   26 o   3.5300   1.1570   3.0130   1.4450   4.0480   1.8080 -1.035000 2.315000 
1 1 1  -21   21   27 o   4.2220   1.3070   3.1260   1.5160   5.3190   2.1300 -2.193000 2.614000 
1 1 1  -21   21   28 o   2.8090   0.9925   3.1470   1.5360   2.4700   1.2570 0.6775000 1.985000 
1 1 1  -21   21   29 o   2.7730   0.9593   2.8300   1.3780   2.7160   1.3350 0.1142000 1.919000 
1 1 1  -21   21   30 f   2.3530   0.8398   2.2700   1.1430   2.4370   1.2310 -0.1662000 1.680000 
1 1 1  -21   23    1 o   25.730   0.3556   26.050   0.4932   25.410   0.5123 0.6456000 0.7111000 
1 1 1  -21   23    2 o   6.4480   1.1460   6.9550   1.5320   5.9400   1.7060 1.014000 2.293000 
1 1 1  -21   23    3 o   15.860   0.4836   15.690   0.6799   16.030   0.6879 -0.3423000 0.9672000 
1 1 1  -21   23    4 o   13.190   0.5837   13.480   0.8005   12.900   0.8498 0.5788000 1.167000 
1 1 1  -21   23    5 o   29.720   0.3450   29.250   0.4714   30.180   0.5040 -0.9286000 0.6901000 
1 1 1  -21   23    6 o   17.270   0.4824   16.640   0.6757   17.900   0.6887 -1.262000 0.9648000 
1 1 1  -21   23    7 o   14.720   0.5532   14.330   0.7577   15.120   0.8063 -0.7892000 1.106000 
1 1 1  -21   23    8 o   19.910   0.4373   19.940   0.5844   19.870   0.6507 0.6650000E-01 0.8747000 
1 1 1  -21   23    9 o   38.650   0.3462   38.910   0.4768   38.390   0.5020 0.5168000 0.6924000 
1 1 1  -21   23   10 o   10.010   0.7970   9.7520   1.0810   10.280   1.1710 -0.5253000 1.594000 
1 1 1  -21   23   11 o   19.250   0.4847   19.480   0.5833   19.030   0.7743 0.4574000 0.9694000 
1 1 1  -21   23   12 o   6.3690   1.2070   5.9200   1.6560   6.8180   1.7570 -0.8987000 2.414000 
1 1 1  -21   23   13 o   4.9070   1.3080   4.9670   1.8130   4.8480   1.8870 0.1190000 2.616000 
1 1 1  -21   23   14 o   4.7960   1.2750   5.5020   1.8390   4.0900   1.7680 1.412000 2.551000 
1 1 1  -21   23   15 o   8.6370   1.0590   8.1640   1.5140   9.1110   1.4820 -0.9468000 2.118000 
1 1 1  -21   23   16 o   10.740   0.8243   9.9770   1.1150   11.510   1.2140 -1.534000 1.649000 
1 1 1  -21   23   17 o   4.7070   1.2690   5.4510   1.7880   3.9630   1.8020 1.488000 2.539000 
1 1 1  -21   23   18 o   11.170   1.4110   12.470   1.2660   9.8590   2.5210 2.615000 2.821000 
1 1 1  -21   23   19 o   5.4840   1.5480   5.8860   2.1000   5.0820   2.2750 0.8040000 3.096000 
1 1 1  -21   23   20 o   6.5450   1.4110   5.6470   1.8450   7.4420   2.1360 -1.795000 2.823000 
1 1 1  -21   23   21 o   8.5700   1.1910   7.4800   1.6920   9.6600   1.6780 -2.180000 2.383000 
1 1 1  -21   23   22 o   7.5980   1.2240   8.7990   1.4670   6.3960   1.9590 2.403000 2.448000 
1 1 1  -21   23   23 o   7.6490   1.2190   5.5640   1.9260   9.7340   1.4950 -4.170000 2.438000 
1 1 1  -21   23   24 o   3.8460   1.2080   3.8010   1.6880   3.8900   1.7270 -0.8902000E-01 2.415000 
1 1 1  -21   23   25 o   9.1850   1.2330   11.100   1.3650   7.2730   2.0540 3.825000 2.466000 
1 1 1  -21   23   26 o   4.0430   1.2400   4.8420   1.9370   3.2440   1.5500 1.598000 2.481000 
1 1 1  -21   23   27 o   4.7390   1.3520   5.1290   2.0090   4.3480   1.8100 0.7817000 2.704000 
1 1 1  -21   23   28 f   2.8380   0.9728   2.9780   1.4210   2.6970   1.3280 0.2810000 1.946000 
1 1 1  -21   25    1 o   7.3520   1.2190   7.6350   1.6440   7.0680   1.7990 0.5663000 2.437000 
1 1 1  -21   25    2 o   15.650   0.5990   15.520   0.8309   15.780   0.8631 -0.2567000 1.198000 
1 1 1  -21   25    3 f   13.220   0.7002   13.720   0.9354   12.730   1.0420 0.9906000 1.400000 
1 1 1  -21   25    4 o   24.830   0.4309   24.880   0.5975   24.780   0.6211 0.9349000E-01 0.8618000 
1 1 1  -21   25    5 o   21.130   0.4795   22.030   0.6378   20.230   0.7163 1.806000 0.9591000 
1 1 1  -21   25    6 o   28.650   0.4031   28.210   0.5608   29.100   0.5791 -0.8903000 0.8062000 
1 1 1  -21   25    7 o   15.430   0.6160   15.320   0.8400   15.550   0.9013 -0.2319000 1.232000 
1 1 1  -21   25    8 o   20.730   0.4895   20.460   0.6761   21.010   0.7082 -0.5501000 0.9791000 
1 1 1  -21   25    9 o   9.8890   0.9603   10.300   1.2470   9.4830   1.4610 0.8128000 1.921000 
1 1 1  -21   25   10 o   21.840   0.4783   21.740   0.6495   21.930   0.7022 -0.1857000 0.9565000 
1 1 1  -21   25   11 o   4.2440   1.2770   3.3740   1.5270   5.1130   2.0460 -1.739000 2.553000 
1 1 1  -21   25   12 o   9.7850   1.0240   8.9590   1.2700   10.610   1.6060 -1.654000 2.047000 
1 1 1  -21   25   13 o   19.840   0.5629   19.710   0.6382   19.970   0.9274 -0.2601000 1.126000 
1 1 1  -21   25   14 o   7.0390   1.6190   5.8390   1.9620   8.2390   2.5760 -2.400000 3.238000 
1 1 1  -21   25   15 o   7.7780   1.4490   7.6570   1.8310   7.8980   2.2450 -0.2410000 2.897000 
1 1 1  -21   25   16 o   10.790   0.8456   11.850   1.0040   9.7340   1.3610 2.117000 1.691000 
1 1 1  -21   25   17 o   3.6990   1.1620   3.7520   1.6380   3.6470   1.6490 0.1051000 2.325000 
1 1 1  -21   25   18 o   11.700   0.8091   12.290   1.0360   11.110   1.2440 1.183000 1.618000 
1 1 1  -21   25   19 o   9.9040   1.0600   9.0790   1.6380   10.730   1.3450 -1.650000 2.120000 
1 1 1  -21   25   20 o   7.2750   1.2350   9.7530   1.5690   4.7970   1.9090 4.956000 2.471000 
1 1 1  -21   25   21 o   7.2050   1.1900   4.8300   1.8740   9.5800   1.4680 -4.750000 2.381000 
1 1 1  -21   25   22 o   4.5340   1.3360   5.0010   1.9530   4.0670   1.8240 0.9347000 2.673000 
1 1 1  -21   25   23 o   5.6180   1.3700   6.9790   2.0040   4.2570   1.8700 2.722000 2.741000 
1 1 1  -21   25   24 o   3.5280   1.1600   3.5940   1.6500   3.4610   1.6310 0.1329000 2.320000 
1 1 1  -21   25   25 o   3.1870   1.0670   3.6920   1.6750   2.6820   1.3240 1.010000 2.135000 
1 1 1  -21   25   26 o   2.4770   0.8730   2.3180   1.1640   2.6370   1.3020 -0.3195000 1.746000 
1 1 1  -21   27    1 o   11.990   0.7675   12.000   0.9798   11.970   1.1820 0.2593000E-01 1.535000 
1 1 1  -21   27    2 o   5.5160   1.2710   6.5980   1.7170   4.4350   1.8740 2.164000 2.542000 
1 1 1  -21   27    3 o   5.9790   1.4080   4.6100   1.7680   7.3480   2.1920 -2.739000 2.816000 
1 1 1  -21   27    4 o   6.0190   1.3130   7.0530   1.6300   4.9850   2.0580 2.068000 2.625000 
1 1 1  -21   27    5 o   4.2720   1.3630   4.1930   1.7920   4.3520   2.0530 -0.1589000 2.725000 
1 1 1  -21   27    6 o   15.790   0.9037   15.080   0.9292   16.500   1.5500 -1.420000 1.807000 
1 1 1  -21   27    7 o   5.4940   1.3670   6.8500   1.8820   4.1380   1.9830 2.713000 2.734000 
1 1 1  -21   27    8 o   7.2830   1.4390   5.4250   1.9600   9.1410   2.1060 -3.716000 2.877000 
1 1 1  -21   27    9 o   5.1620   1.3700   4.4010   1.8430   5.9220   2.0290 -1.521000 2.741000 
1 1 1  -21   27   10 o   14.030   0.7455   14.220   0.9969   13.850   1.1090 0.3650000 1.491000 
1 1 1  -21   27   11 o   7.7450   1.1490   7.3910   1.6230   8.1000   1.6270 -0.7086000 2.298000 
1 1 1  -21   27   12 o   6.7970   1.1130   4.1160   1.7770   9.4770   1.3410 -5.360000 2.226000 
1 1 1  -21   27   13 o   3.4690   1.1130   3.7150   1.6290   3.2220   1.5170 0.4937000 2.226000 
1 1 1  -21   27   14 o   8.0330   1.1390   8.6540   1.4440   7.4120   1.7630 1.242000 2.279000 
1 1 1  -21   27   15 o   5.5530   1.3310   5.7270   1.8380   5.3780   1.9250 0.3493000 2.661000 
1 1 1  -21   27   16 o   8.2270   1.1270   9.0800   1.3790   7.3740   1.7830 1.705000 2.255000 
1 1 1  -21   27   17 o   3.9060   1.1880   2.9060   1.4030   4.9070   1.9180 -2.001000 2.377000 
1 1 1  -21   27   18 o   4.0910   1.2390   3.6260   1.6360   4.5560   1.8610 -0.9300000 2.478000 
1 1 1  -21   27   19 o   6.0220   1.4570   6.2930   2.0380   5.7510   2.0810 0.5423000 2.913000 
1 1 1  -21   27   20 o   13.530   0.8302   15.160   1.0030   11.890   1.3230 3.263000 1.660000 
1 1 1  -21   27   21 f   3.4530   1.1440   3.1570   1.5130   3.7500   1.7170 -0.5932000 2.288000 
1 1 1  -21   27   22 o   2.5630   0.9075   2.4850   1.2480   2.6420   1.3180 -0.1564000 1.815000 
1 1 1  -21   27   23 f   3.0700   1.0300   3.3910   1.5600   2.7480   1.3460 0.6425000 2.060000 
1 1 1  -21   29    1 o   5.9710   1.3160   5.4520   1.8620   6.4910   1.8610 -1.039000 2.633000 
1 1 1  -21   29    2 o   14.030   0.6356   13.750   0.8984   14.310   0.8992 -0.5569000 1.271000 
1 1 1  -21   29    3 o   4.8480   1.2630   3.8920   1.6800   5.8040   1.8850 -1.912000 2.525000 
1 1 1  -21   29    4 o   16.570   0.5423   16.710   0.7463   16.440   0.7870 0.2718000 1.085000 
1 1 1  -21   29    5 o   8.6670   1.0890   10.360   1.1900   6.9750   1.8250 3.383000 2.179000 
1 1 1  -21   29    6 o   26.480   0.4403   27.410   0.5505   25.550   0.6872 1.858000 0.8806000 
1 1 1  -21   29    7 o   4.9900   1.2790   4.0190   1.7060   5.9600   1.9060 -1.941000 2.558000 
1 1 1  -21   29    8 o   3.8740   1.1730   3.0070   1.4370   4.7410   1.8540 -1.734000 2.346000 
1 1 1  -21   29    9 o   14.330   0.6339   13.580   0.9218   15.080   0.8703 -1.503000 1.268000 
1 1 1  -21   29   10 o   3.9770   1.2140   3.9390   1.6940   4.0160   1.7380 -0.7647000E-01 2.427000 
1 1 1  -21   29   11 o   8.3340   1.1300   7.6860   1.6820   8.9820   1.5100 -1.296000 2.261000 
1 1 1  -21   29   12 o   7.1200   1.2660   6.8450   1.8240   7.3950   1.7560 -0.5495000 2.531000 
1 1 1  -21   29   13 o   5.6510   1.1820   3.6560   1.6400   7.6460   1.7020 -3.990000 2.363000 
1 1 1  -21   29   14 o   6.4260   1.2080   8.8750   1.6240   3.9770   1.7900 4.898000 2.417000 
1 1 1  -21   29   15 o   3.2650   1.0970   3.6470   1.6700   2.8820   1.4240 0.7655000 2.195000 
1 1 1  -21   29   16 o   4.2140   1.2930   4.2520   1.8270   4.1760   1.8320 0.7591000E-01 2.587000 
1 1 1  -21   29   17 o   4.9590   1.3050   5.4970   1.8720   4.4220   1.8180 1.074000 2.609000 
1 1 1  -21   29   18 o   2.9800   1.0210   3.5430   1.6370   2.4170   1.2210 1.126000 2.042000 
1 1 1  -21   29   19 o   3.4760   1.1440   3.6190   1.6580   3.3330   1.5760 0.2864000 2.288000 
1 1 1  -21   29   20 o   4.8190   1.2720   5.3980   1.8300   4.2400   1.7660 1.158000 2.544000 
1 1 1  -21   31    1 o   3.2590   1.0870   3.0770   1.4680   3.4410   1.6020 -0.3638000 2.173000 
1 1 1  -21   31    2 o   6.5970   1.3080   5.8850   1.8840   7.3080   1.8140 -1.423000 2.615000 
1 1 1  -21   31    3 o   5.7410   1.3570   5.9170   1.8930   5.5640   1.9440 0.3531000 2.713000 
1 1 1  -21   31    4 o   9.6460   1.0640   9.1180   1.4060   10.170   1.5980 -1.057000 2.128000 
1 1 1  -21   31    5 o   3.2800   1.0950   2.5510   1.2650   4.0080   1.7870 -1.457000 2.190000 
1 1 1  -21   31    6 o   3.2500   1.0980   2.7910   1.3760   3.7080   1.7120 -0.9166000 2.197000 
1 1 1  -21   31    7 o   3.4480   1.1420   3.8180   1.7210   3.0790   1.5000 0.7384000 2.283000 
1 1 1  -21   31    8 o   10.450   1.0420   11.530   1.2500   9.3710   1.6670 2.158000 2.084000 
1 1 1  -21   31    9 o   4.4240   1.3250   4.4830   1.8730   4.3650   1.8750 0.1180000 2.650000 
1 1 1  -21   31   10 o   3.0490   1.0420   3.3280   1.5670   2.7710   1.3740 0.5570000 2.084000 
1 1 1  -21   31   11 o   5.1030   1.3510   5.0850   1.9320   5.1200   1.8890 -0.3557000E-01 2.702000 
1 1 1  -21   31   12 o   2.7470   0.9496   2.3930   1.1940   3.1020   1.4770 -0.7090000 1.899000 
1 1 1  -21   31   13 o   3.2810   1.0990   3.4430   1.6010   3.1190   1.5060 0.3239000 2.198000 
1 1 1  -21   31   14 o   4.4870   1.2910   3.6010   1.6570   5.3740   1.9790 -1.773000 2.581000 
1 1 1  -21   31   15 o   2.2680   0.8149   2.4690   1.2400   2.0660   1.0580 0.4024000 1.630000 
1 1 1  -21   31   16 o   2.7740   0.9497   2.9150   1.3910   2.6330   1.2940 0.2823000 1.899000 
1 1 1  -21   33    1 f   3.6540   1.1850   4.1660   1.8170   3.1420   1.5200 1.025000 2.370000 
1 1 1  -21   33    2 o   3.1820   1.0840   3.2910   1.5690   3.0730   1.4970 0.2176000 2.169000 
1 1 1  -21   33    3 o   2.7070   0.9525   2.4380   1.2290   2.9770   1.4560 -0.5390000 1.905000 
1 1 1  -21   33    4 o   4.4060   1.2750   3.2680   1.5560   5.5450   2.0220 -2.278000 2.551000 
1 1 1  -21   33    5 o   3.8880   1.2360   3.4750   1.6300   4.3010   1.8580 -0.8263000 2.472000 
1 1 1  -21   33    6 o   5.2650   1.3290   6.4730   1.9600   4.0580   1.7960 2.415000 2.659000 
1 1 1  -21   33    7 o   2.8270   0.9853   2.5240   1.2640   3.1310   1.5120 -0.6078000 1.971000 
1 1 1  -21   33    8 o   2.8540   0.9924   2.4960   1.2530   3.2130   1.5390 -0.7166000 1.985000 
1 1 1  -21   33    9 o   5.2780   1.2010   3.5650   1.6370   6.9910   1.7580 -3.426000 2.403000 
1 1 1  -21   33   10 o   2.3920   0.8502   2.5310   1.2670   2.2520   1.1340 0.2791000 1.700000 
1 1 1  -20    0    1 o   18.280   0.2511   18.280   0.2511   18.280   0.2511 -0.000000 0.000000 
1 1 1  -20    0    2 o   7.5150   0.4705   7.5150   0.4705   7.5150   0.4705 0.000000 0.000000 
1 1 1  -20    0    3 o   5.8740   0.5131   5.8740   0.5131   5.8740   0.5131 0.000000 0.000000 
1 1 1  -20    0    4 o   20.290   0.3365   20.290   0.3365   20.290   0.3365 0.000000 0.000000 
1 1 1  -20    0    5 o   41.690   0.3837   41.690   0.3837   41.690   0.3837 0.000000 0.000000 
1 1 1  -20    0    6 o   64.020   0.8139   64.020   0.8139   64.020   0.8139 -0.000000 0.000000 
1 1 1  -20    0    7 o   37.280   0.3522   37.280   0.3522   37.280   0.3522 0.000000 0.000000 
1 1 1  -20    0    8 o   37.890   0.3591   37.890   0.3591   37.890   0.3591 -0.000000 0.000000 
1 1 1  -20    0    9 o   43.370   0.4044   43.370   0.4044   43.370   0.4044 -0.000000 0.000000 
1 1 1  -20    0   10 o   2.3150   1.2730   2.3150   1.2730   2.3150   1.2730 -0.000000 0.000000 
1 1 1  -20    0   11 o   6.2320   0.7390   6.2320   0.7390   6.2320   0.7390 -0.000000 0.000000 
1 1 1  -20    0   12 o   27.810   0.4587   27.810   0.4587   27.810   0.4587 0.000000 0.000000 
1 1 1  -20    0   13 o   52.390   0.4872   52.390   0.4872   52.390   0.4872 -0.000000 0.000000 
1 1 1  -20    0   14 o   18.120   0.3719   18.120   0.3719   18.120   0.3719 0.000000 0.000000 
1 1 1  -20    0   15 o   31.450   0.3667   31.450   0.3667   31.450   0.3667 0.000000 0.000000 
1 1 1  -20    0   16 o   34.900   0.3937   34.900   0.3937   34.900   0.3937 -0.000000 0.000000 
1 1 1  -20    0   17 o   37.520   0.4181   37.520   0.4181   37.520   0.4181 -0.000000 0.000000 
1 1 1  -20    0   18 o   30.810   0.4141   30.810   0.4141   30.810   0.4141 0.000000 0.000000 
1 1 1  -20    0   19 o   70.320   0.6523   70.320   0.6523   70.320   0.6523 -0.000000 0.000000 
1 1 1  -20    0   20 o   60.930   0.6734   60.930   0.6734   60.930   0.6734 -0.000000 0.000000 
1 1 1  -20    0   21 o   7.9330   1.8960   7.9330   1.8960   7.9330   1.8960 -0.000000 0.000000 
1 1 1  -20    0   22 o   22.310   0.6185   22.310   0.6185   22.310   0.6185 -0.000000 0.000000 
1 1 1  -20    0   23 o   41.990   0.4646   41.990   0.4646   41.990   0.4646 0.000000 0.000000 
1 1 1  -20    0   24 o   16.680   0.5947   16.680   0.5947   16.680   0.5947 0.000000 0.000000 
1 1 1  -20    0   25 o   10.700   1.3920   10.700   1.3920   10.700   1.3920 0.000000 0.000000 
1 1 1  -20    0   26 o   2.5230   1.7130   2.5230   1.7130   2.5230   1.7130 -0.000000 0.000000 
1 1 1  -20    0   27 o   6.7920   1.5010   6.7920   1.5010   6.7920   1.5010 -0.000000 0.000000 
1 1 1  -20    0   28 o   45.730   0.4865   45.730   0.4865   45.730   0.4865 0.000000 0.000000 
1 1 1  -20    0   29 o   11.660   0.8402   11.660   0.8402   11.660   0.8402 0.000000 0.000000 
1 1 1  -20    0   30 o   27.890   0.4610   27.890   0.4610   27.890   0.4610 -0.000000 0.000000 
1 1 1  -20    0   31 o   14.950   0.7272   14.950   0.7272   14.950   0.7272 -0.000000 0.000000 
1 1 1  -20    0   32 o   2.5540   1.6750   2.5540   1.6750   2.5540   1.6750 -0.000000 0.000000 
1 1 1  -20    0   33 o   3.0700   2.0100   3.0700   2.0100   3.0700   2.0100 0.000000 0.000000 
1 1 1  -20    0   34 o   10.600   1.2660   10.600   1.2660   10.600   1.2660 -0.000000 0.000000 
1 1 1  -20    0   35 o   2.2000   1.5480   2.2000   1.5480   2.2000   1.5480 0.000000 0.000000 
1 1 1  -20    0   36 o   3.8750   2.4090   3.8750   2.4090   3.8750   2.4090 -0.000000 0.000000 
1 1 1  -20    0   37 o   2.5370   1.8500   2.5370   1.8500   2.5370   1.8500 0.000000 0.000000 
1 1 1  -20    0   38 o   2.5130   1.8330   2.5130   1.8330   2.5130   1.8330 0.000000 0.000000 
1 1 1  -20    2    1 o   50.170   0.4153   50.470   0.6470   49.860   0.5208 0.6178000 0.8306000 
1 1 1  -20    2    2 o   50.170   0.6511   50.630   0.9281   49.710   0.9134 0.9222000 1.302000 
1 1 1  -20    2    3 o   48.890   0.6361   47.650   0.8785   50.130   0.9202 -2.473000 1.272000 
1 1 1  -20    2    4 o   19.780   0.2112   19.740   0.3381   19.820   0.2531 -0.8123000E-01 0.4223000 
1 1 1  -20    2    5 o   48.350   0.3371   47.880   0.4360   48.810   0.5141 -0.9353000 0.6741000 
1 1 1  -20    2    6 o   19.670   0.1948   19.790   0.2520   19.550   0.2972 0.2426000 0.3896000 
1 1 1  -20    2    7 o   41.730   0.3187   41.710   0.4498   41.750   0.4517 -0.4182000E-01 0.6375000 
1 1 1  -20    2    8 o   35.000   0.2408   34.740   0.3385   35.260   0.3425 -0.5145000 0.4816000 
1 1 1  -20    2    9 o   47.090   0.3083   46.990   0.4354   47.180   0.4366 -0.1860000 0.6166000 
1 1 1  -20    2   10 o   72.480   0.4616   72.260   0.6509   72.700   0.6547 -0.4419000 0.9232000 
1 1 1  -20    2   11 o   40.630   0.3187   40.470   0.4496   40.780   0.4518 -0.3069000 0.6374000 
1 1 1  -20    2   12 o   74.710   0.5512   74.910   0.7819   74.510   0.7771 0.3991000 1.102000 
1 1 1  -20    2   13 o   49.490   0.3557   48.750   0.5312   50.230   0.4734 -1.478000 0.7115000 
1 1 1  -20    2   14 o   41.350   0.2911   41.380   0.4115   41.320   0.4119 0.6567000E-01 0.5822000 
1 1 1  -20    2   15 o   40.910   0.2941   40.530   0.4145   41.290   0.4173 -0.7568000 0.5882000 
1 1 1  -20    2   16 o   20.620   0.3017   20.470   0.4285   20.770   0.4249 -0.3020000 0.6035000 
1 1 1  -20    2   17 o   33.790   0.2886   33.760   0.4053   33.830   0.4109 -0.6465000E-01 0.5771000 
1 1 1  -20    2   18 o   43.930   0.3268   44.380   0.4672   43.480   0.4571 0.8936000 0.6537000 
1 1 1  -20    2   19 o   21.940   0.3440   22.260   0.4914   21.610   0.4816 0.6476000 0.6881000 
1 1 1  -20    2   20 o   13.930   0.5726   14.230   0.8113   13.630   0.8083 0.6091000 1.145000 
1 1 1  -20    2   21 f   28.380   0.3641   29.020   0.5002   27.750   0.5291 1.273000 0.7281000 
1 1 1  -20    2   22 o   34.090   0.3130   34.140   0.4447   34.030   0.4405 0.1077000 0.6259000 
1 1 1  -20    2   23 o   8.0320   0.8467   7.8850   1.2250   8.1790   1.1700 -0.2938000 1.693000 
1 1 1  -20    2   24 o   7.6340   0.8940   8.5920   1.0780   6.6770   1.4260 1.914000 1.788000 
1 1 1  -20    2   25 o   3.2980   1.0380   2.2830   1.1370   4.3130   1.7370 -2.030000 2.076000 
1 1 1  -20    2   26 o   9.2330   0.8504   9.4470   1.2300   9.0200   1.1750 0.4269000 1.701000 
1 1 1  -20    2   27 o   24.510   0.3246   24.490   0.4547   24.530   0.4635 -0.3973000E-01 0.6493000 
1 1 1  -20    2   28 o   17.950   0.3932   17.430   0.5625   18.460   0.5497 -1.025000 0.7865000 
1 1 1  -20    2   29 o   11.390   0.6123   11.850   0.8216   10.930   0.9080 0.9169000 1.225000 
1 1 1  -20    2   30 o   22.330   0.3621   22.430   0.4988   22.220   0.5251 0.2039000 0.7242000 
1 1 1  -20    2   31 o   18.600   0.4391   18.950   0.6026   18.240   0.6388 0.7081000 0.8782000 
1 1 1  -20    2   32 o   18.570   0.5747   17.880   0.9558   19.270   0.6385 -1.392000 1.149000 
1 1 1  -20    2   33 o   5.7110   1.6070   5.4730   2.4000   5.9490   2.1370 -0.4766000 3.213000 
1 1 1  -20    2   34 o   12.610   0.8813   13.110   1.3770   12.110   1.1000 0.9975000 1.763000 
1 1 1  -20    2   35 o   11.280   1.0520   12.120   1.6400   10.440   1.3190 1.678000 2.105000 
1 1 1  -20    2   36 o   4.5690   1.2530   5.8080   1.9640   3.3290   1.5580 2.479000 2.507000 
1 1 1  -20    2   37 o   2.8420   1.0140   2.9460   1.4790   2.7370   1.3890 0.2086000 2.029000 
1 1 1  -20    4    1 o   36.660   0.2470   36.320   0.3462   36.990   0.3524 -0.6694000 0.4941000 
1 1 1  -20    4    2 o   31.910   0.2839   31.930   0.4739   31.890   0.3127 0.3716000E-01 0.5678000 
1 1 1  -20    4    3 o   13.640   0.2966   14.030   0.5413   13.260   0.2429 0.7680000 0.5933000 
1 1 1  -20    4    4 o   35.270   0.2406   35.080   0.3386   35.460   0.3419 -0.3859000 0.4812000 
1 1 1  -20    4    5 o   44.860   0.2945   45.050   0.4178   44.680   0.4152 0.3728000 0.5890000 
1 1 1  -20    4    6 o   51.280   0.3323   51.510   0.4718   51.050   0.4680 0.4606000 0.6646000 
1 1 1  -20    4    7 o   37.410   0.2973   37.190   0.4159   37.620   0.4249 -0.4323000 0.5946000 
1 1 1  -20    4    8 o   37.340   0.2572   37.300   0.3620   37.390   0.3654 -0.9237000E-01 0.5143000 
1 1 1  -20    4    9 o   44.150   0.3389   43.960   0.4774   44.350   0.4813 -0.3919000 0.6779000 
1 1 1  -20    4   10 o   79.420   0.5838   79.150   0.8230   79.690   0.8283 -0.5434000 1.168000 
1 1 1  -20    4   11 o   79.790   0.5084   79.960   0.7203   79.620   0.7177 0.3413000 1.017000 
1 1 1  -20    4   12 o   62.810   0.4707   63.170   0.6699   62.440   0.6613 0.7378000 0.9414000 
1 1 1  -20    4   13 o   27.820   0.2868   28.180   0.4069   27.460   0.4044 0.7150000 0.5736000 
1 1 1  -20    4   14 o   29.610   0.2584   29.530   0.3638   29.700   0.3669 -0.1667000 0.5167000 
1 1 1  -20    4   15 o   8.5470   0.6004   8.0500   0.8978   9.0450   0.7974 -0.9956000 1.201000 
1 1 1  -20    4   16 o   70.570   0.4590   70.470   0.6486   70.680   0.6496 -0.2137000 0.9179000 
1 1 1  -20    4   17 o   44.450   0.3511   44.240   0.4600   44.670   0.5304 -0.4344000 0.7021000 
1 1 1  -20    4   18 f   15.650   0.4331   15.990   0.6044   15.310   0.6205 0.6818000 0.8662000 
1 1 1  -20    4   19 o   43.720   0.3831   44.300   0.5505   43.130   0.5329 1.166000 0.7661000 
1 1 1  -20    4   20 o   39.570   0.3730   40.360   0.5365   38.770   0.5183 1.589000 0.7460000 
1 1 1  -20    4   21 o   11.480   0.6934   10.580   1.0250   12.380   0.9345 -1.805000 1.387000 
1 1 1  -20    4   22 o   12.960   0.5430   13.910   0.7035   12.010   0.8274 1.897000 1.086000 
1 1 1  -20    4   23 o   8.2090   0.8271   8.6610   1.0990   7.7570   1.2360 0.9047000 1.654000 
1 1 1  -20    4   24 o   14.690   0.5536   14.380   0.7483   14.990   0.8160 -0.6178000 1.107000 
1 1 1  -20    4   25 o   22.750   0.3986   23.220   0.5345   22.280   0.5914 0.9453000 0.7972000 
1 1 1  -20    4   26 o   17.150   0.4779   16.770   0.7067   17.520   0.6435 -0.7535000 0.9558000 
1 1 1  -20    4   27 o   16.070   0.4283   16.120   0.5984   16.020   0.6129 0.1074000 0.8566000 
1 1 1  -20    4   28 o   22.900   0.4175   23.700   0.6717   22.100   0.4959 1.599000 0.8350000 
1 1 1  -20    4   29 o   19.420   0.4795   19.620   0.7780   19.210   0.5608 0.4113000 0.9591000 
1 1 1  -20    4   30 o   34.220   0.3978   34.280   0.6407   34.170   0.4716 0.1082000 0.7956000 
1 1 1  -20    4   31 o   13.680   0.6868   13.070   1.1330   14.300   0.7768 -1.235000 1.374000 
1 1 1  -20    4   32 o   12.670   0.9481   13.480   1.5610   11.860   1.0760 1.627000 1.896000 
1 1 1  -20    4   33 o   5.4760   1.4710   5.6980   2.1320   5.2530   2.0270 0.4450000 2.941000 
1 1 1  -20    4   34 o   15.090   0.6557   15.910   0.9075   14.280   0.9467 1.621000 1.311000 
1 1 1  -20    4   35 o   10.900   0.9160   9.5570   1.4180   12.240   1.1610 -2.681000 1.832000 
1 1 1  -20    4   36 o   3.9870   1.2300   3.9190   1.7160   4.0560   1.7620 -0.1377000 2.460000 
1 1 1  -20    4   37 o   3.3890   1.1680   2.7430   1.3910   4.0360   1.8760 -1.294000 2.336000 
1 1 1  -20    6    1 o   13.920   0.2798   13.490   0.3487   14.350   0.4377 -0.8578000 0.5596000 
1 1 1  -20    6    2 o   50.940   0.3320   51.020   0.4698   50.870   0.4692 0.1535000 0.6640000 
1 1 1  -20    6    3 o   60.340   0.3879   60.570   0.5505   60.110   0.5467 0.4598000 0.7759000 
1 1 1  -20    6    4 o   73.130   0.4666   72.650   0.6561   73.620   0.6637 -0.9636000 0.9332000 
1 1 1  -20    6    5 o   42.850   0.4066   43.020   0.5752   42.690   0.5749 0.3263000 0.8132000 
1 1 1  -20    6    6 o   41.020   0.3936   40.570   0.5493   41.480   0.5638 -0.9125000 0.7871000 
1 1 1  -20    6    7 o   35.610   0.2932   35.890   0.4158   35.330   0.4135 0.5529000 0.5864000 
1 1 1  -20    6    8 o   42.060   0.2896   42.030   0.4091   42.090   0.4101 -0.5619000E-01 0.5793000 
1 1 1  -20    6    9 o   61.100   0.4287   61.460   0.6510   60.740   0.5581 0.7224000 0.8575000 
1 1 1  -20    6   10 o   90.040   0.5724   89.710   0.8068   90.360   0.8121 -0.6515000 1.145000 
1 1 1  -20    6   11 o  109.500   0.6939  109.400   0.9802  109.600   0.9824 -0.2099000 1.388000 
1 1 1  -20    6   12 o   64.770   0.4876   64.210   0.6849   65.330   0.6943 -1.119000 0.9752000 
1 1 1  -20    6   13 o   32.220   0.3065   32.190   0.4270   32.240   0.4397 -0.4775000E-01 0.6129000 
1 1 1  -20    6   14 o   72.780   0.4705   72.870   0.6660   72.680   0.6649 0.1885000 0.9411000 
1 1 1  -20    6   15 o   13.600   0.4288   13.290   0.6087   13.910   0.6040 -0.6185000 0.8575000 
1 1 1  -20    6   16 o   63.470   0.4207   63.360   0.5937   63.580   0.5962 -0.2169000 0.8414000 
1 1 1  -20    6   17 o   25.230   0.3211   25.350   0.4528   25.120   0.4553 0.2348000 0.6421000 
1 1 1  -20    6   18 o   7.4980   1.0660   7.8180   1.4780   7.1780   1.5370 0.6399000 2.132000 
1 1 1  -20    6   19 o   31.240   0.3643   31.570   0.5201   30.910   0.5103 0.6549000 0.7286000 
1 1 1  -20    6   20 o   59.100   0.4053   59.760   0.5772   58.430   0.5691 1.336000 0.8106000 
1 1 1  -20    6   21 o   15.190   0.5242   14.910   0.7262   15.460   0.7562 -0.5472000 1.048000 
1 1 1  -20    6   22 o   19.980   0.3755   20.840   0.5154   19.120   0.5463 1.722000 0.7511000 
1 1 1  -20    6   23 f   3.8470   1.1120   4.3100   1.6690   3.3850   1.4690 0.9249000 2.223000 
1 1 1  -20    6   24 o   4.4080   1.2890   5.7570   2.1420   3.0580   1.4340 2.699000 2.577000 
1 1 1  -20    6   25 o   8.2450   1.0360   7.3890   1.7040   9.1010   1.1800 -1.712000 2.072000 
1 1 1  -20    6   26 o   8.6840   0.9975   7.6770   1.6630   9.6910   1.1010 -2.014000 1.995000 
1 1 1  -20    6   27 f   5.5250   1.2150   5.2690   1.8470   5.7800   1.5800 -0.5110000 2.430000 
1 1 1  -20    6   28 o   17.130   0.4731   16.630   0.7454   17.640   0.5827 -1.010000 0.9461000 
1 1 1  -20    6   29 o   11.780   0.5931   11.060   0.8724   12.500   0.8038 -1.437000 1.186000 
1 1 1  -20    6   30 o   16.140   0.4728   15.800   0.6737   16.480   0.6634 -0.6808000 0.9455000 
1 1 1  -20    6   31 o   5.6670   1.2130   6.1890   1.6760   5.1440   1.7550 1.046000 2.427000 
1 1 1  -20    6   32 o   3.5280   1.1540   3.7060   1.6920   3.3500   1.5700 0.3569000 2.309000 
1 1 1  -20    6   33 f   6.4010   1.3450   7.5490   1.7930   5.2540   2.0050 2.295000 2.690000 
1 1 1  -20    6   34 o   3.9440   1.2200   3.5810   1.6160   4.3070   1.8290 -0.7258000 2.440000 
1 1 1  -20    6   35 o   6.4710   1.3170   7.3310   1.7550   5.6100   1.9650 1.721000 2.635000 
1 1 1  -20    6   36 o   3.8420   1.2420   4.0310   1.8070   3.6530   1.7050 0.3773000 2.484000 
1 1 1  -20    6   37 o   2.2090   0.7991   2.3280   1.1850   2.0890   1.0730 0.2393000 1.598000 
1 1 1  -20    8    1 o   13.460   0.3055   13.560   0.4281   13.360   0.4358 0.2013000 0.6109000 
1 1 1  -20    8    2 o   22.940   0.2557   22.870   0.3294   23.000   0.3912 -0.1302000 0.5114000 
1 1 1  -20    8    3 o   19.670   0.3179   20.940   0.3975   18.390   0.4963 2.553000 0.6359000 
1 1 1  -20    8    4 o   18.150   0.2584   17.990   0.3647   18.320   0.3662 -0.3244000 0.5168000 
1 1 1  -20    8    5 o   31.550   0.2517   31.720   0.3542   31.380   0.3576 0.3381000 0.5033000 
1 1 1  -20    8    6 o   80.990   0.5171   81.160   0.7326   80.810   0.7300 0.3505000 1.034000 
1 1 1  -20    8    7 o   39.250   0.2839   39.200   0.4014   39.310   0.4015 -0.1096000 0.5677000 
1 1 1  -20    8    8 o   97.850   0.6215   97.580   0.8762   98.130   0.8817 -0.5547000 1.243000 
1 1 1  -20    8    9 o   52.250   0.3503   52.020   0.4926   52.470   0.4982 -0.4518000 0.7007000 
1 1 1  -20    8   10 o   44.620   0.3153   44.770   0.4468   44.470   0.4450 0.3067000 0.6306000 
1 1 1  -20    8   11 o   13.610   0.4688   13.280   0.6937   13.950   0.6307 -0.6788000 0.9376000 
1 1 1  -20    8   12 o   26.160   0.2776   25.710   0.3909   26.600   0.3943 -0.8917000 0.5552000 
1 1 1  -20    8   13 o   90.330   0.5777   90.080   0.8143   90.590   0.8197 -0.5092000 1.155000 
1 1 1  -20    8   14 o   38.460   0.3061   38.150   0.4288   38.760   0.4369 -0.6165000 0.6122000 
1 1 1  -20    8   15 o   41.540   0.3208   41.770   0.4530   41.310   0.4542 0.4548000 0.6415000 
1 1 1  -20    8   16 o   36.880   0.3145   36.740   0.4393   37.010   0.4502 -0.2695000 0.6290000 
1 1 1  -20    8   17 o   31.480   0.3727   31.160   0.5295   31.800   0.5247 -0.6351000 0.7454000 
1 1 1  -20    8   18 o   48.180   0.3599   48.520   0.5119   47.850   0.5061 0.6725000 0.7198000 
1 1 1  -20    8   19 o   45.510   0.4219   46.000   0.6856   45.020   0.4920 0.9848000 0.8439000 
1 1 1  -20    8   20 o   15.520   0.6116   14.430   0.9829   16.610   0.7280 -2.183000 1.223000 
1 1 1  -20    8   21 o   18.710   0.4832   18.880   0.7695   18.540   0.5846 0.3424000 0.9663000 
1 1 1  -20    8   22 o   7.6910   1.0960   9.0170   1.5270   6.3650   1.5730 2.652000 2.192000 
1 1 1  -20    8   23 o   27.470   0.4974   26.820   0.8287   28.120   0.5506 -1.309000 0.9949000 
1 1 1  -20    8   24 o   9.4480   0.7231   9.9630   0.9402   8.9320   1.0990 1.031000 1.446000 
1 1 1  -20    8   25 o   8.1870   0.9836   8.0270   1.4610   8.3460   1.3170 -0.3194000 1.967000 
1 1 1  -20    8   26 o   15.240   0.4464   15.280   0.6139   15.200   0.6481 0.7918000E-01 0.8927000 
1 1 1  -20    8   27 o   13.220   0.5214   13.420   0.7118   13.010   0.7621 0.4099000 1.043000 
1 1 1  -20    8   28 f   10.070   0.6993   10.160   0.9493   9.9680   1.0270 0.1963000 1.399000 
1 1 1  -20    8   29 o   12.910   0.5623   13.460   0.7479   12.360   0.8398 1.098000 1.125000 
1 1 1  -20    8   30 o   21.290   0.3979   21.320   0.5595   21.250   0.5658 0.7509000E-01 0.7957000 
1 1 1  -20    8   31 o   11.970   0.8047   11.930   1.1480   12.010   1.1280 -0.7239000E-01 1.609000 
1 1 1  -20    8   32 o   7.0610   1.2240   6.6050   1.7460   7.5180   1.7160 -0.9137000 2.447000 
1 1 1  -20    8   33 o   10.330   1.0180   9.1200   1.5260   11.550   1.3470 -2.427000 2.035000 
1 1 1  -20    8   34 o   3.9200   1.2150   4.0310   1.7260   3.8100   1.7120 0.2207000 2.431000 
1 1 1  -20    8   35 o   5.3320   1.3430   6.7680   2.0030   3.8950   1.7890 2.873000 2.686000 
1 1 1  -20    8   36 o   2.9360   1.0220   2.7740   1.3800   3.0970   1.5060 -0.3239000 2.043000 
1 1 1  -20    8   37 o   2.1610   1.1200   2.1610   1.1200  ?   ?       ?      ? 
1 1 1  -20   10    1 o   35.090   0.2948   35.350   0.4504   34.840   0.3805 0.5084000 0.5896000 
1 1 1  -20   10    2 o   86.860   0.5531   86.870   0.7824   86.840   0.7821 0.2192000E-01 1.106000 
1 1 1  -20   10    3 o   40.870   0.3184   40.120   0.4091   41.610   0.4880 -1.482000 0.6368000 
1 1 1  -20   10    4 o   70.220   0.4529   69.650   0.6353   70.790   0.6458 -1.139000 0.9059000 
1 1 1  -20   10    5 f   27.750   0.2651   27.230   0.3706   28.280   0.3791 -1.053000 0.5302000 
1 1 1  -20   10    6 o   71.980   0.4651   72.520   0.6619   71.430   0.6535 1.091000 0.9302000 
1 1 1  -20   10    7 o   67.180   0.4376   67.360   0.6202   67.000   0.6177 0.3647000 0.8753000 
1 1 1  -20   10    8 o   56.200   0.3775   56.230   0.5335   56.160   0.5343 0.7244000E-01 0.7550000 
1 1 1  -20   10    9 o   62.000   0.4744   62.250   0.6741   61.750   0.6678 0.5027000 0.9489000 
1 1 1  -20   10   10 o   46.930   0.3873   47.510   0.5526   46.350   0.5427 1.164000 0.7745000 
1 1 1  -20   10   11 o   44.150   0.3260   44.130   0.4594   44.170   0.4627 -0.3948000E-01 0.6520000 
1 1 1  -20   10   12 o   19.780   0.3633   20.060   0.5092   19.510   0.5185 0.5501000 0.7267000 
1 1 1  -20   10   13 o  107.100   0.8382  107.000   1.3690  107.200   0.9674 -0.2181000 1.676000 
1 1 1  -20   10   14 o   46.200   0.4192   46.570   0.6818   45.840   0.4879 0.7273000 0.8384000 
1 1 1  -20   10   15 o   16.230   0.7685   16.340   1.3070   16.120   0.8079 0.2188000 1.537000 
1 1 1  -20   10   16 o   55.620   0.6402   55.500   1.1090   55.750   0.6402 -0.2550000 1.280000 
1 1 1  -20   10   17 o   4.1610   1.2460   4.4890   1.8830   3.8320   1.6340 0.6575000 2.493000 
1 1 1  -20   10   18 o   8.6940   1.0890   9.4350   1.6420   7.9530   1.4320 1.482000 2.179000 
1 1 1  -20   10   19 o   17.150   0.5043   16.850   0.7053   17.450   0.7209 -0.5972000 1.009000 
1 1 1  -20   10   20 o   37.190   0.3662   37.020   0.5127   37.360   0.5231 -0.3353000 0.7324000 
1 1 1  -20   10   21 f   9.5520   0.9309   8.9570   1.2030   10.150   1.4210 -1.191000 1.862000 
1 1 1  -20   10   22 o   26.170   0.3849   26.370   0.5203   25.970   0.5674 0.3991000 0.7698000 
1 1 1  -20   10   23 o   19.100   0.3883   18.910   0.5367   19.280   0.5613 -0.3759000 0.7766000 
1 1 1  -20   10   24 o   33.520   0.3225   33.320   0.4573   33.720   0.4550 -0.4066000 0.6450000 
1 1 1  -20   10   25 o   11.240   0.7148   11.390   0.9976   11.090   1.0240 0.2946000 1.430000 
1 1 1  -20   10   26 o   10.160   0.6856   10.510   0.9179   9.7980   1.0190 0.7169000 1.371000 
1 1 1  -20   10   27 f   23.150   0.3577   22.630   0.5026   23.670   0.5090 -1.045000 0.7153000 
1 1 1  -20   10   28 o   17.900   0.4395   17.530   0.6110   18.270   0.6318 -0.7341000 0.8790000 
1 1 1  -20   10   29 f   20.900   0.4005   21.000   0.5480   20.790   0.5842 0.2127000 0.8010000 
1 1 1  -20   10   30 o   19.260   0.5160   18.720   0.7527   19.790   0.7060 -1.068000 1.032000 
1 1 1  -20   10   31 o   6.5520   1.2340   5.5290   1.8230   7.5760   1.6630 -2.047000 2.468000 
1 1 1  -20   10   32 o   7.9210   1.1040   5.1390   1.8210   10.700   1.2490 -5.564000 2.209000 
1 1 1  -20   10   33 o   4.9300   1.3460   5.7760   1.9850   4.0840   1.8190 1.692000 2.693000 
1 1 1  -20   10   34 o   9.5700   1.0140   10.320   1.2860   8.8170   1.5690 1.507000 2.028000 
1 1 1  -20   10   35 o   3.0660   1.0600   2.7070   1.3510   3.4250   1.6350 -0.7177000 2.121000 
1 1 1  -20   10   36 o   2.8740   0.9804   3.3780   1.5570   2.3700   1.1910 1.008000 1.961000 
1 1 1  -20   12    1 f   34.010   0.3764   33.730   0.4637   34.290   0.5930 -0.5565000 0.7528000 
1 1 1  -20   12    2 o   90.500   0.6683   90.710   0.9468   90.290   0.9434 0.4231000 1.337000 
1 1 1  -20   12    3 o   56.730   0.4398   56.950   0.6224   56.500   0.6214 0.4498000 0.8796000 
1 1 1  -20   12    4 o   25.160   0.4027   23.650   0.5761   26.660   0.5629 -3.008000 0.8054000 
1 1 1  -20   12    5 o   39.200   0.3523   40.160   0.5012   38.240   0.4952 1.919000 0.7046000 
1 1 1  -20   12    6 o  100.600   0.8303  100.800   1.2890  100.500   1.0460 0.3231000 1.661000 
1 1 1  -20   12    7 o   38.540   0.4041   38.840   0.6295   38.250   0.5068 0.5936000 0.8082000 
1 1 1  -20   12    8 o   14.250   0.5957   14.060   0.9783   14.440   0.6799 -0.3784000 1.191000 
1 1 1  -20   12    9 o   98.380   0.7729   98.370   1.2630   98.390   0.8907 -0.2308000E-01 1.546000 
1 1 1  -20   12   10 o   76.970   0.6152   76.420   1.0010   77.510   0.7159 -1.091000 1.230000 
1 1 1  -20   12   11 o   66.680   0.5744   65.890   0.8808   67.470   0.7376 -1.580000 1.149000 
1 1 1  -20   12   12 o   64.780   0.7179   64.860   1.2460   64.700   0.7130 0.1558000 1.436000 
1 1 1  -20   12   13 o   7.0020   1.2130   9.0200   1.5360   4.9840   1.8780 4.036000 2.426000 
1 1 1  -20   12   14 o   27.120   0.3595   26.610   0.5023   27.630   0.5144 -1.022000 0.7190000 
1 1 1  -20   12   15 o   17.810   0.4688   17.480   0.6579   18.140   0.6681 -0.6627000 0.9377000 
1 1 1  -20   12   16 o   36.190   0.3677   35.820   0.4649   36.550   0.5697 -0.7295000 0.7354000 
1 1 1  -20   12   17 o   11.280   0.7292   9.4650   1.1530   13.100   0.8926 -3.639000 1.458000 
1 1 1  -20   12   18 o   12.090   0.7095   11.490   0.9815   12.700   1.0250 -1.201000 1.419000 
1 1 1  -20   12   19 o   13.240   0.6275   12.780   0.8726   13.700   0.9021 -0.9147000 1.255000 
1 1 1  -20   12   20 o   14.080   0.6156   13.930   0.8178   14.220   0.9203 -0.2930000 1.231000 
1 1 1  -20   12   21 o   18.040   0.4205   18.350   0.5736   17.730   0.6151 0.6210000 0.8411000 
1 1 1  -20   12   22 o   21.830   0.3715   21.950   0.5188   21.710   0.5320 0.2458000 0.7431000 
1 1 1  -20   12   23 f   19.780   0.3943   20.340   0.5295   19.230   0.5843 1.113000 0.7885000 
1 1 1  -20   12   24 o   27.890   0.3870   28.530   0.5601   27.250   0.5341 1.278000 0.7740000 
1 1 1  -20   12   25 o   13.140   0.5560   13.710   0.7324   12.580   0.8367 1.132000 1.112000 
1 1 1  -20   12   26 o   5.8760   1.1240   4.9730   1.6350   6.7780   1.5430 -1.805000 2.248000 
1 1 1  -20   12   27 o   2.8840   0.9596   2.6860   1.2850   3.0820   1.4260 -0.3957000 1.919000 
1 1 1  -20   12   28 o   13.940   0.5709   14.040   0.7747   13.840   0.8389 0.2074000 1.142000 
1 1 1  -20   12   29 o   11.930   0.8110   12.930   1.0220   10.930   1.2600 2.004000 1.622000 
1 1 1  -20   12   30 o   11.700   0.7312   10.800   1.0520   12.610   1.0160 -1.806000 1.462000 
1 1 1  -20   12   31 o   5.1690   1.2910   5.6740   1.8030   4.6640   1.8470 1.011000 2.581000 
1 1 1  -20   12   32 o   4.0740   1.2570   4.4200   1.8350   3.7270   1.7170 0.6929000 2.514000 
1 1 1  -20   12   33 o   5.1780   1.3390   5.1530   1.8710   5.2030   1.9160 -0.4984000E-01 2.679000 
1 1 1  -20   12   34 o   3.9580   1.2590   4.0130   1.7730   3.9030   1.7880 0.1104000 2.518000 
1 1 1  -20   12   35 o   5.8340   1.2110   3.9350   1.7160   7.7320   1.7080 -3.796000 2.421000 
1 1 1  -20   14    1 o   74.980   0.5993   74.600   0.9771   75.360   0.6944 -0.7591000 1.199000 
1 1 1  -20   14    2 o   53.340   0.4572   53.470   0.7490   53.220   0.5244 0.2479000 0.9143000 
1 1 1  -20   14    3 o   86.960   0.6871   86.690   1.1220   87.230   0.7934 -0.5379000 1.374000 
1 1 1  -20   14    4 o   18.130   0.5778  ?   ?    18.130   0.5778      ?      ? 
1 1 1  -20   14    5 o   53.050   0.4602   53.270   0.7539   52.840   0.5280 0.4339000 0.9205000 
1 1 1  -20   14    6 o   26.250   0.3405   26.480   0.4705   26.030   0.4924 0.4521000 0.6811000 
1 1 1  -20   14    7 o   43.730   0.3390   44.340   0.4766   43.130   0.4821 1.215000 0.6779000 
1 1 1  -20   14    8 o   51.100   0.4245   50.870   0.5940   51.320   0.6067 -0.4497000 0.8490000 
1 1 1  -20   14    9 o   40.520   0.3866   40.820   0.5345   40.210   0.5586 0.6088000 0.7731000 
1 1 1  -20   14   10 o   44.750   0.4100   44.770   0.5805   44.730   0.5792 0.4647000E-01 0.8200000 
1 1 1  -20   14   11 o   31.920   0.3810   32.980   0.4887   30.860   0.5847 2.123000 0.7621000 
1 1 1  -20   14   12 o   47.520   0.3638   47.490   0.5107   47.550   0.5184 -0.6316000E-01 0.7277000 
1 1 1  -20   14   13 o   32.070   0.3534   32.370   0.4930   31.780   0.5066 0.5891000 0.7069000 
1 1 1  -20   14   14 o   47.130   0.3647   47.280   0.5115   46.970   0.5201 0.3153000 0.7295000 
1 1 1  -20   14   15 o   33.320   0.3465   33.050   0.4846   33.580   0.4953 -0.5232000 0.6929000 
1 1 1  -20   14   16 o   24.130   0.3925   23.950   0.5421   24.310   0.5678 -0.3608000 0.7850000 
1 1 1  -20   14   17 f   16.420   0.5619   16.050   0.7648   16.780   0.8236 -0.7292000 1.124000 
1 1 1  -20   14   18 o   47.700   0.4639   48.160   0.6973   47.240   0.6120 0.9138000 0.9278000 
1 1 1  -20   14   19 o   43.010   0.3440   42.930   0.4827   43.090   0.4903 -0.1578000 0.6881000 
1 1 1  -20   14   20 f   23.530   0.3595   23.220   0.5006   23.840   0.5160 -0.6189000 0.7189000 
1 1 1  -20   14   21 o   27.940   0.3372   27.940   0.4713   27.940   0.4825 -0.5722000E-05 0.6745000 
1 1 1  -20   14   22 o   7.7180   0.9313   7.3480   1.3210   8.0880   1.3130 -0.7398000 1.863000 
1 1 1  -20   14   23 o   11.760   0.7416   12.840   0.9325   10.670   1.1540 2.173000 1.483000 
1 1 1  -20   14   24 o   21.790   0.3814   21.760   0.5206   21.820   0.5576 -0.6146000E-01 0.7629000 
1 1 1  -20   14   25 o   15.870   0.4783   16.090   0.6451   15.650   0.7062 0.4462000 0.9565000 
1 1 1  -20   14   26 o   13.910   0.5557   13.980   0.7556   13.840   0.8149 0.1381000 1.111000 
1 1 1  -20   14   27 o   4.5040   1.1730   5.3990   1.7210   3.6090   1.5950 1.790000 2.346000 
1 1 1  -20   14   28 o   13.500   0.7531   13.960   1.0110   13.050   1.1170 0.9052000 1.506000 
1 1 1  -20   14   29 o   3.4690   1.1110   3.6010   1.5880   3.3370   1.5540 0.2641000 2.221000 
1 1 1  -20   14   30 o   8.2470   1.1590   8.5360   1.4740   7.9580   1.7900 0.5780000 2.319000 
1 1 1  -20   14   31 o   6.4030   1.3670   4.8020   1.8890   8.0050   1.9770 -3.204000 2.734000 
1 1 1  -20   14   32 o   3.6860   1.1900   3.5110   1.6300   3.8600   1.7350 -0.3494000 2.381000 
1 1 1  -20   14   33 o   3.6980   1.1980   2.8780   1.4160   4.5190   1.9340 -1.641000 2.397000 
1 1 1  -20   14   34 o   2.8250   0.9750   2.9440   1.4230   2.7050   1.3330 0.2394000 1.950000 
1 1 1  -20   16    1 o   72.460   0.5537   72.980   0.7875   71.950   0.7785 1.027000 1.107000 
1 1 1  -20   16    2 o   50.540   0.4245   50.600   0.6011   50.480   0.5995 0.1241000 0.8490000 
1 1 1  -20   16    3 o   73.760   0.5616   73.870   0.7953   73.660   0.7930 0.2097000 1.123000 
1 1 1  -20   16    4 o   47.510   0.3622   47.850   0.5113   47.180   0.5131 0.6768000 0.7244000 
1 1 1  -20   16    5 o   33.550   0.3431   33.070   0.4759   34.040   0.4944 -0.9730000 0.6862000 
1 1 1  -20   16    6 o   61.220   0.4226   60.870   0.5922   61.570   0.6030 -0.7056000 0.8451000 
1 1 1  -20   16    7 o   25.910   0.3813   25.360   0.5289   26.470   0.5494 -1.107000 0.7626000 
1 1 1  -20   16    8 o   36.020   0.3451   36.810   0.4766   35.230   0.4992 1.577000 0.6902000 
1 1 1  -20   16    9 o   15.970   0.5397   15.370   0.7634   16.560   0.7632 -1.196000 1.079000 
1 1 1  -20   16   10 o   19.720   0.4583   19.310   0.6220   20.120   0.6732 -0.8114000 0.9166000 
1 1 1  -20   16   11 o   17.890   0.5000   17.630   0.7063   18.150   0.7079 -0.5265000 1.000000 
1 1 1  -20   16   12 o   51.650   0.3842   51.550   0.5373   51.740   0.5493 -0.1936000 0.7683000 
1 1 1  -20   16   13 o   38.260   0.3522   38.020   0.4935   38.500   0.5027 -0.4735000 0.7044000 
1 1 1  -20   16   14 o   13.190   0.6523   13.080   0.9076   13.290   0.9371 -0.2036000 1.305000 
1 1 1  -20   16   15 o   5.0330   1.3180   3.4140   1.6050   6.6530   2.0920 -3.239000 2.636000 
1 1 1  -20   16   16 o   10.900   0.9909   9.8930   1.4390   11.910   1.3630 -2.022000 1.982000 
1 1 1  -20   16   17 o   5.9920   1.2040   6.3430   1.6330   5.6400   1.7690 0.7031000 2.407000 
1 1 1  -20   16   18 o   17.240   0.4607   18.170   0.5993   16.320   0.6999 1.855000 0.9214000 
1 1 1  -20   16   19 o   23.320   0.3657   23.140   0.5161   23.510   0.5182 -0.3676000 0.7313000 
1 1 1  -20   16   20 o   26.450   0.3423   26.410   0.4736   26.480   0.4944 -0.6542000E-01 0.6846000 
1 1 1  -20   16   21 f   10.100   0.8460   9.7590   1.2310   10.440   1.1610 -0.6856000 1.692000 
1 1 1  -20   16   22 o   18.380   0.5020   17.920   0.7338   18.840   0.6852 -0.9138000 1.004000 
1 1 1  -20   16   23 o   28.070   0.3446   27.150   0.4743   28.990   0.5000 -1.841000 0.6892000 
1 1 1  -20   16   24 o   5.0350   1.2280   4.9160   1.6790   5.1540   1.7930 -0.2377000 2.456000 
1 1 1  -20   16   25 o   14.550   0.5526   14.140   0.7688   14.960   0.7940 -0.8234000 1.105000 
1 1 1  -20   16   26 o   6.7080   1.3830   6.7590   1.9490   6.6560   1.9630 0.1029000 2.766000 
1 1 1  -20   16   27 o   17.860   0.6031   17.890   0.8005   17.830   0.9022 0.5729000E-01 1.206000 
1 1 1  -20   16   28 f   7.7510   1.1680   7.1020   1.6680   8.4000   1.6340 -1.298000 2.335000 
1 1 1  -20   16   29 o   16.200   0.5985   15.970   0.8067   16.420   0.8842 -0.4537000 1.197000 
1 1 1  -20   16   30 o   11.670   0.9366   12.120   1.1680   11.220   1.4640 0.9000000 1.873000 
1 1 1  -20   16   31 o   5.0770   1.4680   5.5000   2.0850   4.6530   2.0660 0.8470000 2.935000 
1 1 1  -20   16   32 o   4.6720   1.3060   5.9210   2.0410   3.4230   1.6300 2.499000 2.612000 
1 1 1  -20   16   33 o   3.3090   1.0850   3.7830   1.6740   2.8350   1.3800 0.9481000 2.169000 
1 1 1  -20   18    1 o   30.410   0.3557   30.270   0.4986   30.550   0.5074 -0.2756000 0.7113000 
1 1 1  -20   18    2 o   42.130   0.3503   41.860   0.4917   42.410   0.4989 -0.5570000 0.7005000 
1 1 1  -20   18    3 o   59.400   0.4146   59.030   0.5825   59.770   0.5901 -0.7426000 0.8292000 
1 1 1  -20   18    4 o   17.840   0.4893   17.580   0.6964   18.110   0.6873 -0.5372000 0.9785000 
1 1 1  -20   18    5 o   13.770   0.6392   14.160   0.8445   13.380   0.9597 0.7800000 1.278000 
1 1 1  -20   18    6 o   20.810   0.4534   21.590   0.5948   20.020   0.6844 1.569000 0.9068000 
1 1 1  -20   18    7 o   14.890   0.6006   14.750   0.8190   15.040   0.8787 -0.2882000 1.201000 
1 1 1  -20   18    8 o   9.5360   0.9521   10.240   1.1660   8.8350   1.5050 1.402000 1.904000 
1 1 1  -20   18    9 o   43.570   0.3575   43.510   0.4958   43.640   0.5152 -0.1294000 0.7150000 
1 1 1  -20   18   10 o   24.040   0.3988   23.370   0.5464   24.710   0.5810 -1.336000 0.7976000 
1 1 1  -20   18   11 o   19.900   0.5235   20.130   0.6803   19.660   0.7958 0.4718000 1.047000 
1 1 1  -20   18   12 o   7.0550   1.4590   6.7800   1.9980   7.3300   2.1270 -0.5503000 2.918000 
1 1 1  -20   18   13 o   20.280   0.5888   19.770   0.7975   20.780   0.8663 -1.015000 1.178000 
1 1 1  -20   18   14 o   43.370   0.3787   43.440   0.5640   43.300   0.5054 0.1437000 0.7573000 
1 1 1  -20   18   15 o   20.400   0.4265   20.390   0.5770   20.420   0.6282 -0.3029000E-01 0.8530000 
1 1 1  -20   18   16 f   13.230   0.5973   13.490   0.7999   12.960   0.8872 0.5272000 1.195000 
1 1 1  -20   18   17 o   9.2340   0.8535   9.8890   1.0420   8.5790   1.3520 1.310000 1.707000 
1 1 1  -20   18   18 o   17.120   0.4624   16.970   0.6232   17.260   0.6834 -0.2896000 0.9249000 
1 1 1  -20   18   19 o   12.370   0.6208   12.060   0.8426   12.690   0.9118 -0.6340000 1.242000 
1 1 1  -20   18   20 o   24.440   0.4281   24.400   0.6078   24.480   0.6030 -0.7449000E-01 0.8561000 
1 1 1  -20   18   21 o   17.080   0.4863   16.880   0.6742   17.290   0.7011 -0.4125000 0.9726000 
1 1 1  -20   18   22 o   16.600   0.4941   16.210   0.6892   16.980   0.7082 -0.7739000 0.9882000 
1 1 1  -20   18   23 o   6.6330   1.0430   9.1430   1.1820   4.1220   1.7190 5.021000 2.086000 
1 1 1  -20   18   24 o   8.8620   1.2080   9.7910   1.5650   7.9340   1.8410 1.856000 2.416000 
1 1 1  -20   18   25 o   13.780   0.7682   14.310   1.0030   13.240   1.1640 1.069000 1.536000 
1 1 1  -20   18   26 o   6.0750   1.2070   4.1400   1.7040   8.0110   1.7120 -3.871000 2.415000 
1 1 1  -20   18   27 o   5.7070   1.2970   4.5740   1.7860   6.8400   1.8800 -2.266000 2.593000 
1 1 1  -20   18   28 o   6.1140   1.3080   6.9300   1.7460   5.2980   1.9470 1.632000 2.615000 
1 1 1  -20   18   29 o   4.1070   1.2700   4.2290   1.8000   3.9850   1.7940 0.2445000 2.541000 
1 1 1  -20   18   30 o   5.3680   1.4470   6.4910   2.1390   4.2450   1.9500 2.246000 2.894000 
1 1 1  -20   18   31 o   5.4720   1.2140   7.4280   1.7580   3.5160   1.6760 3.913000 2.429000 
1 1 1  -20   18   32 o   2.3590   0.8558   1.9770   1.0110   2.7410   1.3810 -0.7643000 1.712000 
1 1 1  -20   20    1 o   17.310   0.5728   18.070   0.7592   16.550   0.8578 1.529000 1.146000 
1 1 1  -20   20    2 o   11.400   0.8272   11.410   1.1440   11.380   1.1950 0.2760000E-01 1.654000 
1 1 1  -20   20    3 o   20.930   0.4705   20.630   0.6526   21.240   0.6778 -0.6055000 0.9409000 
1 1 1  -20   20    4 o   32.210   0.3882   31.990   0.5389   32.430   0.5590 -0.4419000 0.7764000 
1 1 1  -20   20    5 o   9.9370   0.9863   9.3760   1.3530   10.500   1.4350 -1.122000 1.973000 
1 1 1  -20   20    6 o   6.2870   1.5380   5.7520   2.0930   6.8220   2.2540 -1.069000 3.076000 
1 1 1  -20   20    7 o   15.500   0.8010   15.580   1.0440   15.420   1.2150 0.1546000 1.602000 
1 1 1  -20   20    8 o   13.000   0.8308   12.830   1.2320   13.170   1.1150 -0.3386000 1.662000 
1 1 1  -20   20    9 o   19.300   0.5235   18.890   0.7311   19.710   0.7495 -0.8181000 1.047000 
1 1 1  -20   20   10 o   20.640   0.4789   20.670   0.6546   20.600   0.6992 0.6686000E-01 0.9578000 
1 1 1  -20   20   11 o   30.300   0.3467   29.370   0.4720   31.240   0.5078 -1.873000 0.6933000 
1 1 1  -20   20   12 o   26.860   0.3592   27.050   0.4801   26.670   0.5344 0.3767000 0.7183000 
1 1 1  -20   20   13 o   37.320   0.3374   37.370   0.4672   37.260   0.4870 0.1129000 0.6749000 
1 1 1  -20   20   14 o   8.9310   0.9152   8.2930   1.3660   9.5690   1.2180 -1.276000 1.830000 
1 1 1  -20   20   15 o   9.3250   0.8438   8.4630   1.2630   10.190   1.1190 -1.722000 1.688000 
1 1 1  -20   20   16 o   14.790   0.5448   15.090   0.7267   14.480   0.8119 0.6050000 1.090000 
1 1 1  -20   20   17 o   15.290   0.5404   16.100   0.7091   14.490   0.8156 1.604000 1.081000 
1 1 1  -20   20   18 o   5.5350   1.2970   4.4810   1.7880   6.5890   1.8800 -2.108000 2.595000 
1 1 1  -20   20   19 o   5.4820   1.2660   5.3850   1.7410   5.5790   1.8380 -0.1939000 2.532000 
1 1 1  -20   20   20 o   12.850   0.6470   12.340   0.8923   13.360   0.9371 -1.024000 1.294000 
1 1 1  -20   20   21 o   10.360   0.8232   9.8020   1.1810   10.910   1.1470 -1.111000 1.646000 
1 1 1  -20   20   22 o   5.7000   1.4240   5.8390   2.0070   5.5620   2.0220 0.2777000 2.849000 
1 1 1  -20   20   23 o   8.6580   1.3000   8.9300   1.7660   8.3860   1.9090 0.5440000 2.601000 
1 1 1  -20   20   24 o   9.2920   1.0290   10.940   1.0720   7.6410   1.7570 3.302000 2.058000 
1 1 1  -20   20   25 o   4.8340   1.3030   4.0750   1.7040   5.5930   1.9720 -1.518000 2.606000 
1 1 1  -20   20   26 o   10.500   0.9165   9.8430   1.2980   11.160   1.2940 -1.316000 1.833000 
1 1 1  -20   20   27 o   4.9670   1.3510   3.7930   1.6880   6.1400   2.1090 -2.347000 2.702000 
1 1 1  -20   20   28 o   3.8970   1.3150   3.9300   1.8060   3.8640   1.9130 0.6665000E-01 2.630000 
1 1 1  -20   20   29 o   3.0520   1.0750   3.1340   1.5200   2.9700   1.5200 0.1639000 2.150000 
1 1 1  -20   20   30 o   2.7290   0.9649   2.4790   1.2340   2.9800   1.4830 -0.5012000 1.930000 
1 1 1  -20   20   31 o   2.6520   0.9503   2.2530   1.1350   3.0520   1.5250 -0.7991000 1.901000 
1 1 1  -20   22    1 o   35.750   0.3333   35.530   0.4685   35.970   0.4741 -0.4407000 0.6665000 
1 1 1  -20   22    2 o   19.970   0.4138   19.810   0.5839   20.130   0.5865 -0.3172000 0.8276000 
1 1 1  -20   22    3 o   11.860   0.6427   11.900   0.8988   11.830   0.9191 0.7123000E-01 1.285000 
1 1 1  -20   22    4 o   7.3620   1.0490   6.7510   1.5830   7.9740   1.3780 -1.223000 2.099000 
1 1 1  -20   22    5 o   14.840   0.5439   14.830   0.7381   14.840   0.7992 -0.7002000E-02 1.088000 
1 1 1  -20   22    6 o   15.160   0.5415   15.510   0.7184   14.810   0.8104 0.7019000 1.083000 
1 1 1  -20   22    7 o   20.230   0.4281   20.310   0.5742   20.160   0.6350 0.1520000 0.8561000 
1 1 1  -20   22    8 o   5.1530   1.1660   3.6060   1.5660   6.7000   1.7290 -3.094000 2.333000 
1 1 1  -20   22    9 o   33.940   0.3411   33.540   0.4659   34.350   0.4985 -0.8114000 0.6823000 
1 1 1  -20   22   10 o   19.440   0.4330   19.290   0.5856   19.580   0.6379 -0.2902000 0.8659000 
1 1 1  -20   22   11 o   12.450   0.6376   12.120   0.8738   12.790   0.9287 -0.6690000 1.275000 
1 1 1  -20   22   12 f   7.4170   1.0820   8.2070   1.2860   6.6270   1.7410 1.580000 2.165000 
1 1 1  -20   22   13 o   10.980   0.7337   11.510   0.9039   10.450   1.1560 1.053000 1.467000 
1 1 1  -20   22   14 o   12.860   0.6262   12.750   0.8208   12.970   0.9460 -0.2181000 1.252000 
1 1 1  -20   22   15 o   17.820   0.5396   17.230   0.7513   18.400   0.7747 -1.163000 1.079000 
1 1 1  -20   22   16 o   7.2990   1.2520   7.5640   1.6710   7.0340   1.8660 0.5299000 2.505000 
1 1 1  -20   22   17 o   10.800   0.7739   10.300   1.1120   11.300   1.0760 -0.9942000 1.548000 
1 1 1  -20   22   18 o   4.9860   1.2110   3.5780   1.5840   6.3950   1.8320 -2.817000 2.422000 
1 1 1  -20   22   19 o   7.8140   1.1260   5.3300   1.8470   10.300   1.2890 -4.968000 2.252000 
1 1 1  -20   22   20 o   10.700   1.0530   10.160   1.5650   11.230   1.4090 -1.077000 2.106000 
1 1 1  -20   22   21 o   3.4580   1.1270   3.4690   1.5740   3.4470   1.6120 0.2179000E-01 2.253000 
1 1 1  -20   22   22 o   2.9910   1.0240   2.9650   1.4190   3.0160   1.4750 -0.5069000E-01 2.047000 
1 1 1  -20   22   23 o   10.380   1.0930   10.040   1.2930   10.710   1.7640 -0.6772000 2.187000 
1 1 1  -20   22   24 o   5.0090   1.4300   4.5220   1.8090   5.4970   2.2140 -0.9743000 2.859000 
1 1 1  -20   22   25 o   3.9080   1.2460   4.0870   1.7430   3.7290   1.7800 0.3584000 2.492000 
1 1 1  -20   22   26 o   4.0570   1.2990   3.6540   1.6850   4.4600   1.9760 -0.8058000 2.597000 
1 1 1  -20   22   27 o   5.6920   1.5190   5.6760   2.1220   5.7080   2.1750 -0.3251000E-01 3.038000 
1 1 1  -20   22   28 f   3.3370   1.0890   2.7360   1.3360   3.9380   1.7200 -1.202000 2.178000 
1 1 1  -20   22   29 o   2.6990   0.9276   3.3210   1.5230   2.0780   1.0590 1.243000 1.855000 
1 1 1  -20   24    1 f   25.390   0.3603   24.810   0.5088   25.970   0.5104 -1.160000 0.7207000 
1 1 1  -20   24    2 o   10.580   0.7345   10.080   1.0630   11.090   1.0140 -1.012000 1.469000 
1 1 1  -20   24    3 o   12.540   0.6100   12.680   0.8476   12.390   0.8773 0.2840000 1.220000 
1 1 1  -20   24    4 o   31.630   0.3372   31.360   0.4752   31.900   0.4785 -0.5389000 0.6744000 
1 1 1  -20   24    5 o   22.780   0.3940   22.890   0.5312   22.670   0.5820 0.2193000 0.7880000 
1 1 1  -20   24    6 o   11.330   0.7069   11.320   0.9541   11.330   1.0430 -0.1029000E-01 1.414000 
1 1 1  -20   24    7 o   17.190   0.4870   17.950   0.6235   16.430   0.7482 1.523000 0.9739000 
1 1 1  -20   24    8 o   9.1380   0.9135   10.050   1.0630   8.2280   1.4860 1.821000 1.827000 
1 1 1  -20   24    9 o   14.750   0.5663   15.320   0.7218   14.180   0.8728 1.132000 1.133000 
1 1 1  -20   24   10 o   15.470   0.6059   15.210   0.8301   15.720   0.8828 -0.5141000 1.212000 
1 1 1  -20   24   11 o   3.4970   1.1130   2.6540   1.3020   4.3390   1.8060 -1.686000 2.226000 
1 1 1  -20   24   12 o   8.9260   1.0380   8.2630   1.5160   9.5890   1.4180 -1.326000 2.076000 
1 1 1  -20   24   13 o   5.6630   1.2530   4.7090   1.7260   6.6170   1.8170 -1.908000 2.506000 
1 1 1  -20   24   14 f   12.280   0.6892   12.230   0.9078   12.330   1.0370 -0.9277000E-01 1.378000 
1 1 1  -20   24   15 o   8.3150   1.0400   9.3760   1.2050   7.2530   1.6950 2.124000 2.080000 
1 1 1  -20   24   16 o   9.0730   1.1680   9.3750   1.5000   8.7710   1.7900 0.6032000 2.336000 
1 1 1  -20   24   17 o   6.1530   1.4300   7.6760   1.8720   4.6300   2.1620 3.046000 2.860000 
1 1 1  -20   24   18 o   6.9790   1.2590   8.8020   1.4260   5.1560   2.0760 3.645000 2.519000 
1 1 1  -20   24   19 o   4.0230   1.2680   3.7360   1.6500   4.3100   1.9270 -0.5741000 2.537000 
1 1 1  -20   24   20 o   14.040   0.8013   12.510   1.0400   15.570   1.2190 -3.057000 1.603000 
1 1 1  -20   24   21 o   10.870   0.9724   10.900   1.1850   10.840   1.5420 0.5612000E-01 1.945000 
1 1 1  -20   24   22 o   5.4880   1.3380   6.1390   1.8810   4.8370   1.9030 1.302000 2.676000 
1 1 1  -20   24   23 o   8.2720   1.2190   8.6170   1.6290   7.9270   1.8140 0.6904000 2.438000 
1 1 1  -20   24   24 o   6.2280   1.4550   5.4450   2.0000   7.0110   2.1150 -1.566000 2.911000 
1 1 1  -20   24   25 o   2.8510   0.9947   2.7600   1.3660   2.9420   1.4460 -0.1819000 1.989000 
1 1 1  -20   24   26 o   2.5610   0.9004   2.4820   1.2370   2.6400   1.3080 -0.1584000 1.801000 
1 1 1  -20   24   27 o   2.7400   0.9466   3.0120   1.4370   2.4680   1.2330 0.5440000 1.893000 
1 1 1  -20   26    1 o   11.000   0.7413   10.690   1.0830   11.310   1.0130 -0.6191000 1.483000 
1 1 1  -20   26    2 o   15.270   0.6164   15.620   0.8358   14.930   0.9061 0.6954000 1.233000 
1 1 1  -20   26    3 o   6.8930   1.2900   7.6050   1.7030   6.1810   1.9380 1.424000 2.580000 
1 1 1  -20   26    4 o   16.120   0.5966   16.470   0.8066   15.770   0.8792 0.6939000 1.193000 
1 1 1  -20   26    5 o   14.970   0.5730   14.860   0.7855   15.080   0.8345 -0.2210000 1.146000 
1 1 1  -20   26    6 o   3.7640   1.1520   3.9640   1.6550   3.5640   1.6020 0.3994000 2.303000 
1 1 1  -20   26    7 o   5.3650   1.2480   6.0680   1.7120   4.6610   1.8160 1.407000 2.495000 
1 1 1  -20   26    8 o   3.9650   1.1890   3.9470   1.6480   3.9820   1.7150 -0.3427000E-01 2.378000 
1 1 1  -20   26    9 o   6.3360   1.2240   7.1840   1.5830   5.4870   1.8660 1.697000 2.447000 
1 1 1  -20   26   10 o   5.5840   1.3190   5.9510   1.7560   5.2170   1.9690 0.7339000 2.638000 
1 1 1  -20   26   11 o   11.590   1.2490   11.910   1.2020   11.280   2.1890 0.6310000 2.497000 
1 1 1  -20   26   12 o   8.2440   1.5760   7.6890   1.8450   8.7990   2.5560 -1.110000 3.152000 
1 1 1  -20   26   13 o   7.7620   1.6250   7.1860   1.9160   8.3380   2.6260 -1.152000 3.251000 
1 1 1  -20   26   14 o   16.820   0.6485   16.290   0.7248   17.360   1.0760 -1.069000 1.297000 
1 1 1  -20   26   15 o   5.6480   1.1920   3.3620   1.5360   7.9340   1.8240 -4.572000 2.384000 
1 1 1  -20   26   16 o   3.9760   1.2060   3.4280   1.5670   4.5240   1.8330 -1.096000 2.412000 
1 1 1  -20   26   17 o   9.1970   1.0360   9.7130   1.2900   8.6820   1.6230 1.031000 2.073000 
1 1 1  -20   26   18 o   6.3810   1.3470   5.5150   1.8950   7.2460   1.9140 -1.731000 2.693000 
1 1 1  -20   26   19 o   4.9730   1.2860   6.0080   1.8950   3.9380   1.7400 2.070000 2.572000 
1 1 1  -20   26   20 o   4.4400   1.2980   4.6020   1.8490   4.2770   1.8220 0.3251000 2.595000 
1 1 1  -20   26   21 o   12.530   0.9400   14.520   1.0680   10.530   1.5470 3.991000 1.880000 
1 1 1  -20   26   22 o   2.6590   0.9489   2.6270   1.3270   2.6920   1.3570 -0.6522000E-01 1.898000 
1 1 1  -20   26   23 o   3.5610   1.1710   3.4240   1.5980   3.6990   1.7120 -0.2748000 2.342000 
1 1 1  -20   26   24 o   3.3010   1.0940   3.3870   1.5690   3.2160   1.5240 0.1711000 2.187000 
1 1 1  -20   26   25 o   2.7340   0.9605   2.7520   1.3620   2.7170   1.3550 0.3483000E-01 1.921000 
1 1 1  -20   28    1 o   9.9630   1.2160   12.330   1.1530   7.5930   2.1400 4.741000 2.431000 
1 1 1  -20   28    2 o   5.8220   1.1630   8.3450   1.6800   3.2990   1.6080 5.046000 2.326000 
1 1 1  -20   28    3 o   5.2860   1.5120   5.2630   1.9490   5.3090   2.3110 -0.4542000E-01 3.023000 
1 1 1  -20   28    4 o   5.6070   1.5640   4.8380   1.8930   6.3760   2.4890 -1.538000 3.127000 
1 1 1  -20   28    5 o   6.6700   1.4840   8.5990   2.0050   4.7410   2.1890 3.858000 2.969000 
1 1 1  -20   28    6 o   8.7430   1.5640   8.5320   1.6760   8.9540   2.6420 -0.4221000 3.129000 
1 1 1  -20   28    7 o   7.5350   1.3430   7.6910   1.5410   7.3780   2.1990 0.3133000 2.686000 
1 1 1  -20   28    8 o   18.880   0.5581   18.990   0.6767   18.780   0.8877 0.2116000 1.116000 
1 1 1  -20   28    9 o   18.440   0.5171   18.380   0.6995   18.510   0.7616 -0.1355000 1.034000 
1 1 1  -20   28   10 o   12.040   0.7290   11.650   1.0110   12.420   1.0510 -0.7663000 1.458000 
1 1 1  -20   28   11 f   3.9770   1.1840   3.0690   1.4530   4.8840   1.8700 -1.815000 2.368000 
1 1 1  -20   28   12 o   4.2120   1.2460   3.8360   1.6770   4.5890   1.8430 -0.7529000 2.492000 
1 1 1  -20   28   13 o   4.9140   1.2990   4.3010   1.7550   5.5280   1.9150 -1.227000 2.598000 
1 1 1  -20   28   14 o   6.5560   1.2270   8.2130   1.5610   4.8980   1.8930 3.315000 2.453000 
1 1 1  -20   28   15 o   3.3320   1.0970   2.8360   1.3790   3.8280   1.7060 -0.9924000 2.194000 
1 1 1  -20   28   16 f   4.7850   1.3080   5.3450   1.8950   4.2250   1.8040 1.120000 2.616000 
1 1 1  -20   28   17 o   5.7710   1.3900   6.7860   1.9580   4.7560   1.9730 2.030000 2.779000 
1 1 1  -20   28   18 o   4.4730   1.2610   2.8970   1.4210   6.0500   2.0840 -3.153000 2.522000 
1 1 1  -20   28   19 o   3.4070   1.1350   3.6550   1.6790   3.1580   1.5280 0.4970000 2.270000 
1 1 1  -20   28   20 o   3.5500   1.1620   3.7370   1.6970   3.3640   1.5880 0.3728000 2.325000 
1 1 1  -20   28   21 o   2.4900   0.8841   2.8130   1.3840   2.1670   1.1000 0.6466000 1.768000 
1 1 1  -20   28   22 o   2.4290   0.8611   2.3680   1.1930   2.4890   1.2420 -0.1210000 1.722000 
1 1 1  -20   30    1 o   4.1840   1.2410   4.4540   1.7990   3.9130   1.7090 0.5411000 2.481000 
1 1 1  -20   30    2 o   6.2540   1.3160   6.0980   1.8560   6.4090   1.8650 -0.3116000 2.631000 
1 1 1  -20   30    3 o   5.9370   1.3360   6.0850   1.8770   5.7890   1.9020 0.2962000 2.672000 
1 1 1  -20   30    4 o   20.130   0.4801   19.730   0.6843   20.520   0.6735 -0.7895000 0.9602000 
1 1 1  -20   30    5 o   13.550   0.6792   13.250   0.9748   13.850   0.9460 -0.6010000 1.358000 
1 1 1  -20   30    6 o   5.5860   1.3370   5.9640   1.8770   5.2070   1.9050 0.7564000 2.674000 
1 1 1  -20   30    7 o   4.9310   1.3230   4.9420   1.8500   4.9190   1.8910 0.2249000E-01 2.645000 
1 1 1  -20   30    8 o   6.0440   1.1270   8.4090   1.5240   3.6780   1.6620 4.731000 2.255000 
1 1 1  -20   30    9 o   5.1550   1.3130   6.4690   1.9970   3.8410   1.7060 2.628000 2.627000 
1 1 1  -20   30   10 o   3.9710   1.2060   3.3590   1.5520   4.5830   1.8470 -1.225000 2.412000 
1 1 1  -20   30   11 o   3.7820   1.1860   3.6000   1.6190   3.9630   1.7340 -0.3627000 2.372000 
1 1 1  -20   30   12 f   9.1680   1.1680   10.020   1.4140   8.3120   1.8600 1.712000 2.337000 
1 1 1  -20   30   13 o   9.7690   1.1130   11.240   1.2330   8.2930   1.8530 2.951000 2.226000 
1 1 1  -20   30   14 o   3.4810   1.1480   3.6220   1.6580   3.3390   1.5890 0.2833000 2.297000 
1 1 1  -20   30   15 o   3.8590   1.2240   3.9800   1.7520   3.7390   1.7100 0.2417000 2.448000 
1 1 1  -20   30   16 o   2.9700   1.0240   2.9950   1.4550   2.9460   1.4410 0.4900000E-01 2.047000 
1 1 1  -20   30   17 f   3.3340   1.1080   3.0860   1.4830   3.5810   1.6470 -0.4955000 2.217000 
1 1 1  -20   30   18 o   3.1780   1.0470   3.6260   1.6110   2.7290   1.3390 0.8963000 2.095000 
1 1 1  -20   30   19 o   2.1500   1.1160  ?   ?    2.1500   1.1160      ?      ? 
1 1 1  -20   32    1 o   3.6380   1.1920   3.0220   1.4690   4.2550   1.8770 -1.233000 2.384000 
1 1 1  -20   32    2 o   5.8870   1.3960   4.6130   1.8930   7.1600   2.0530 -2.548000 2.792000 
1 1 1  -20   32    3 o   5.9360   1.4400   6.1070   2.0020   5.7640   2.0710 0.3431000 2.880000 
1 1 1  -20   32    4 o   3.5430   1.1880   3.4860   1.6240   3.6000   1.7340 -0.1141000 2.376000 
1 1 1  -20   32    5 o   3.8730   1.2310   3.6950   1.6830   4.0500   1.7980 -0.3543000 2.462000 
1 1 1  -20   32    6 o   6.7100   1.3210   8.2640   1.7290   5.1560   1.9990 3.108000 2.642000 
1 1 1  -20   32    7 o   4.1100   1.2430   4.0240   1.7220   4.1960   1.7920 -0.1721000 2.486000 
1 1 1  -20   32    8 o   7.2930   1.3960   7.0960   1.9500   7.4900   1.9990 -0.3938000 2.793000 
1 1 1  -20   32    9 o   6.3960   1.4240   6.3090   1.9670   6.4830   2.0600 -0.1730000 2.848000 
1 1 1  -20   32   10 o   2.7980   0.9799   2.5360   1.2720   3.0600   1.4910 -0.5239000 1.960000 
1 1 1  -20   32   11 o   2.7810   0.9707   2.9570   1.4390   2.6060   1.3030 0.3502000 1.941000 
1 1 1  -20   32   12 o   2.9780   1.0240   3.0510   1.4720   2.9050   1.4250 0.1464000 2.049000 
1 1 1  -20   32   13 o   2.3170   0.8246   1.9750   1.0080   2.6590   1.3050 -0.6835000 1.649000 
1 1 1  -20   32   14 o   2.3820   0.8595   2.3130   1.1860   2.4510   1.2440 -0.1379000 1.719000 
1 1 1  -20   34    1 o   3.3210   1.0830   3.3130   1.5270   3.3290   1.5350 -0.1581000E-01 2.165000 
1 1 1  -20   34    2 o   3.1150   1.0330   3.5970   1.6090   2.6330   1.2950 0.9634000 2.066000 
1 1 1  -20   34    3 o   2.6330   0.9215   2.7090   1.3410   2.5570   1.2640 0.1517000 1.843000 
1 1 1  -20   34    4 o   2.0840   0.7619   2.0230   1.0440   2.1450   1.1110 -0.1213000 1.524000 
1 1 1  -20   34    5 o   2.2590   1.1710   2.2590   1.1710  ?   ?       ?      ? 
1 1 1  -19    1    1 o   38.510   0.2900   38.560   0.4108   38.460   0.4096 0.1067000 0.5801000 
1 1 1  -19    1    2 o   35.300   0.2331   35.990   0.3353   34.610   0.3238 1.373000 0.4662000 
1 1 1  -19    1    3 o   70.530   0.4457   70.010   0.6259   71.050   0.6347 -1.044000 0.8914000 
1 1 1  -19    1    4 o   90.460   0.6584   90.770   0.9345   90.140   0.9277 0.6320000 1.317000 
1 1 1  -19    1    5 o   57.410   0.4212   57.620   0.5982   57.200   0.5932 0.4221000 0.8425000 
1 1 1  -19    1    6 o   35.320   0.3069   35.290   0.3880   35.360   0.4757 -0.6908000E-01 0.6139000 
1 1 1  -19    1    7 o   15.280   0.2208   15.090   0.3091   15.470   0.3155 -0.3730000 0.4417000 
1 1 1  -19    1    8 o   26.300   0.1991   26.160   0.2818   26.430   0.2814 -0.2751000 0.3982000 
1 1 1  -19    1    9 o   15.380   0.2089   15.460   0.2966   15.300   0.2941 0.1629000 0.4177000 
1 1 1  -19    1   10 o   21.060   0.2036   21.250   0.2871   20.870   0.2887 0.3782000 0.4072000 
1 1 1  -19    1   11 o   42.690   0.3311   42.520   0.4671   42.850   0.4694 -0.3276000 0.6622000 
1 1 1  -19    1   12 o   13.040   0.4148   12.880   0.5894   13.200   0.5837 -0.3204000 0.8295000 
1 1 1  -19    1   13 o   55.290   0.3615   55.300   0.5109   55.290   0.5116 0.1176000E-01 0.7230000 
1 1 1  -19    1   14 o   30.830   0.2480   30.800   0.3501   30.860   0.3513 -0.5898000E-01 0.4959000 
1 1 1  -19    1   15 o   44.040   0.3324   43.540   0.4303   44.550   0.5067 -1.007000 0.6648000 
1 1 1  -19    1   16 o   8.3420   0.6105   8.2860   0.8685   8.3970   0.8582 -0.1106000 1.221000 
1 1 1  -19    1   17 o   47.000   0.3314   46.900   0.4678   47.100   0.4695 -0.1980000 0.6627000 
1 1 1  -19    1   18 o  106.800   0.6799  107.400   0.9668  106.200   0.9561 1.195000 1.360000 
1 1 1  -19    1   19 f   42.890   0.3260   42.660   0.4590   43.130   0.4632 -0.4655000 0.6520000 
1 1 1  -19    1   20 o   25.720   0.4151   25.490   0.5408   25.940   0.6298 -0.4529000 0.8302000 
1 1 1  -19    1   21 o   30.080   0.4295   30.230   0.6017   29.940   0.6130 0.2894000 0.8590000 
1 1 1  -19    1   22 o   33.260   0.3144   33.600   0.4460   32.920   0.4434 0.6768000 0.6289000 
1 1 1  -19    1   23 o   19.060   0.3898   19.180   0.5484   18.940   0.5541 0.2434000 0.7796000 
1 1 1  -19    1   24 o   22.880   0.3373   22.930   0.4818   22.820   0.4722 0.1105000 0.6746000 
1 1 1  -19    1   25 o   18.090   0.5941   17.950   0.8493   18.220   0.8309 -0.2687000 1.188000 
1 1 1  -19    1   26 o   19.910   0.4321   19.990   0.6407   19.820   0.5798 0.1666000 0.8641000 
1 1 1  -19    1   27 o   12.780   0.5215   13.070   0.7190   12.500   0.7556 0.5771000 1.043000 
1 1 1  -19    1   28 o   18.620   0.3894   18.680   0.5446   18.560   0.5568 0.1249000 0.7789000 
1 1 1  -19    1   29 o   20.800   0.3709   21.200   0.5124   20.410   0.5364 0.7896000 0.7418000 
1 1 1  -19    1   30 o   8.4680   0.8368   8.4270   1.1800   8.5090   1.1870 -0.8216000E-01 1.674000 
1 1 1  -19    1   31 o   13.200   0.5787   12.550   0.8427   13.860   0.7934 -1.314000 1.157000 
1 1 1  -19    1   32 o   15.550   0.5184   14.900   0.7645   16.200   0.7005 -1.306000 1.037000 
1 1 1  -19    1   33 o   10.960   1.0670   10.560   1.5540   11.350   1.4620 -0.7943000 2.134000 
1 1 1  -19    1   34 o   9.0960   1.0680   8.3820   1.6160   9.8100   1.3980 -1.428000 2.136000 
1 1 1  -19    1   35 o   3.9200   1.2180   4.1920   1.7880   3.6480   1.6550 0.5444000 2.436000 
1 1 1  -19    1   36 o   3.4370   1.1330   3.7530   1.7080   3.1210   1.4880 0.6319000 2.266000 
1 1 1  -19    1   37 o   2.7330   0.9891   2.8140   1.4450   2.6510   1.3500 0.1628000 1.978000 
1 1 1  -19    1   38 o   2.5820   0.9287   2.4570   1.2550   2.7060   1.3690 -0.2484000 1.857000 
1 1 1  -19    3    1 o   24.930   0.2135   24.710   0.3134   25.150   0.2900 -0.4366000 0.4269000 
1 1 1  -19    3    2 o   20.080   0.2938   19.860   0.4085   20.310   0.4224 -0.4510000 0.5876000 
1 1 1  -19    3    3 o   65.070   0.5880   65.480   0.8362   64.660   0.8267 0.8112000 1.176000 
1 1 1  -19    3    4 o   15.100   0.1781   15.040   0.2714   15.160   0.2305 -0.1217000 0.3561000 
1 1 1  -19    3    5 o   84.720   0.5353   85.000   0.7596   84.450   0.7545 0.5511000 1.071000 
1 1 1  -19    3    6 o   51.220   0.3299   51.320   0.4676   51.130   0.4655 0.1880000 0.6598000 
1 1 1  -19    3    7 o   28.800   0.2460   28.920   0.3461   28.680   0.3498 0.2350000 0.4921000 
1 1 1  -19    3    8 o   43.250   0.2860   43.380   0.4051   43.110   0.4039 0.2678000 0.5720000 
1 1 1  -19    3    9 o   24.250   0.2061   23.940   0.2890   24.550   0.2937 -0.6109000 0.4121000 
1 1 1  -19    3   10 o   33.310   0.2760   32.900   0.3869   33.710   0.3937 -0.8095000 0.5520000 
1 1 1  -19    3   11 o   49.640   0.3766   49.860   0.5347   49.420   0.5305 0.4310000 0.7532000 
1 1 1  -19    3   12 o   38.710   0.3164   38.860   0.4500   38.560   0.4450 0.3062000 0.6329000 
1 1 1  -19    3   13 o   51.820   0.3433   51.590   0.4838   52.050   0.4873 -0.4520000 0.6867000 
1 1 1  -19    3   14 o   67.730   0.4375   67.740   0.6188   67.720   0.6187 0.1093000E-01 0.8750000 
1 1 1  -19    3   15 o   43.370   0.3069   43.300   0.4340   43.430   0.4341 -0.1317000 0.6138000 
1 1 1  -19    3   16 o   74.130   0.4791   74.040   0.6768   74.230   0.6784 -0.1923000 0.9582000 
1 1 1  -19    3   17 o   77.830   0.5027   77.620   0.7094   78.040   0.7123 -0.4196000 1.005000 
1 1 1  -19    3   18 o   25.520   0.3116   25.480   0.4391   25.550   0.4421 -0.7367000E-01 0.6231000 
1 1 1  -19    3   19 o   36.440   0.3370   35.870   0.5083   37.020   0.4425 -1.148000 0.6739000 
1 1 1  -19    3   20 o   65.210   0.5034   65.780   0.7197   64.650   0.7040 1.134000 1.007000 
1 1 1  -19    3   21 o   14.100   0.5789   14.400   0.7744   13.790   0.8607 0.6078000 1.158000 
1 1 1  -19    3   22 o   32.530   0.3195   32.100   0.4507   32.960   0.4531 -0.8608000 0.6391000 
1 1 1  -19    3   23 o   45.040   0.3392   44.660   0.4781   45.430   0.4811 -0.7694000 0.6783000 
1 1 1  -19    3   24 o   21.960   0.3456   22.150   0.4819   21.770   0.4955 0.3777000 0.6912000 
1 1 1  -19    3   25 o   12.440   0.6563   12.150   0.8980   12.720   0.9575 -0.5670000 1.313000 
1 1 1  -19    3   26 o   20.250   0.4258   19.810   0.6265   20.690   0.5769 -0.8787000 0.8517000 
1 1 1  -19    3   27 o   16.280   0.4248   16.330   0.5888   16.240   0.6124 0.9614000E-01 0.8496000 
1 1 1  -19    3   28 o   7.2000   0.9398   6.8090   1.3760   7.5910   1.2800 -0.7819000 1.880000 
1 1 1  -19    3   29 o   22.820   0.3544   22.710   0.5001   22.940   0.5023 -0.2300000 0.7088000 
1 1 1  -19    3   30 o   17.640   0.4360   18.050   0.5921   17.230   0.6402 0.8189000 0.8721000 
1 1 1  -19    3   31 o   5.2610   1.2140   5.5260   1.7100   4.9970   1.7250 0.5291000 2.429000 
1 1 1  -19    3   32 o   4.3790   1.1260   2.9400   1.3970   5.8170   1.7670 -2.877000 2.253000 
1 1 1  -19    3   33 o   8.7810   1.3400   5.1350   2.3460   12.430   1.2960 -7.292000 2.680000 
1 1 1  -19    3   34 o   5.9660   1.4040   5.0440   2.0910   6.8870   1.8740 -1.843000 2.808000 
1 1 1  -19    3   35 o   10.640   1.1580   9.7530   1.9920   11.530   1.1820 -1.782000 2.316000 
1 1 1  -19    3   36 o   2.7970   0.9835   2.6780   1.3580   2.9170   1.4230 -0.2385000 1.967000 
1 1 1  -19    3   37 o   3.7600   1.2780   3.7980   1.8210   3.7210   1.7940 0.7692000E-01 2.556000 
1 1 1  -19    5    1 o   33.630   0.2735   32.670   0.3714   34.600   0.4015 -1.929000 0.5470000 
1 1 1  -19    5    2 o   42.820   0.3094   41.800   0.3922   43.830   0.4785 -2.033000 0.6187000 
1 1 1  -19    5    3 o   18.280   0.1973   18.360   0.2795   18.200   0.2786 0.1622000 0.3946000 
1 1 1  -19    5    4 o   41.150   0.2985   40.880   0.4499   41.420   0.3925 -0.5412000 0.5970000 
1 1 1  -19    5    5 o   29.980   0.2424   30.070   0.3660   29.890   0.3180 0.1825000 0.4849000 
1 1 1  -19    5    6 o   38.780   0.3075   38.810   0.4338   38.760   0.4360 0.4843000E-01 0.6151000 
1 1 1  -19    5    7 o   31.080   0.2990   30.710   0.3810   31.460   0.4608 -0.7530000 0.5979000 
1 1 1  -19    5    8 f   51.520   0.3882   51.190   0.5456   51.850   0.5524 -0.6547000 0.7764000 
1 1 1  -19    5    9 o   69.920   0.5159   69.860   0.7290   69.970   0.7303 -0.1076000 1.032000 
1 1 1  -19    5   10 f   40.570   0.2819   40.790   0.4001   40.350   0.3974 0.4394000 0.5639000 
1 1 1  -19    5   11 o   62.610   0.4057   62.400   0.5719   62.820   0.5756 -0.4227000 0.8114000 
1 1 1  -19    5   12 o   89.250   0.6564   88.500   0.9207   90.000   0.9357 -1.500000 1.313000 
1 1 1  -19    5   13 o   33.800   0.2636   33.980   0.3710   33.620   0.3746 0.3574000 0.5273000 
1 1 1  -19    5   14 o   24.780   0.2622   25.060   0.3680   24.490   0.3735 0.5683000 0.5244000 
1 1 1  -19    5   15 o   61.390   0.4047   61.460   0.5729   61.320   0.5717 0.1377000 0.8093000 
1 1 1  -19    5   16 o   33.780   0.2893   33.740   0.4079   33.820   0.4103 -0.7980000E-01 0.5786000 
1 1 1  -19    5   17 f   34.810   0.3010   35.050   0.4247   34.580   0.4265 0.4696000 0.6019000 
1 1 1  -19    5   18 o   16.200   0.4265   16.170   0.6006   16.230   0.6058 -0.5578000E-01 0.8531000 
1 1 1  -19    5   19 o   32.520   0.4027   32.670   0.6251   32.380   0.5080 0.2865000 0.8055000 
1 1 1  -19    5   20 o   65.160   0.4367   65.330   0.6186   64.980   0.6165 0.3503000 0.8733000 
1 1 1  -19    5   21 o   12.230   0.6495   12.700   0.8420   11.750   0.9891 0.9513000 1.299000 
1 1 1  -19    5   22 o   10.170   0.6761   9.6320   0.9953   10.700   0.9152 -1.068000 1.352000 
1 1 1  -19    5   23 o   15.550   0.4511   15.450   0.6228   15.650   0.6526 -0.1964000 0.9021000 
1 1 1  -19    5   24 o   5.8210   1.1850   4.7630   1.7010   6.8790   1.6490 -2.115000 2.369000 
1 1 1  -19    5   25 o   6.7240   1.1070   8.4000   1.3920   5.0470   1.7210 3.354000 2.214000 
1 1 1  -19    5   26 o   18.020   0.4637   18.610   0.6614   17.440   0.6500 1.177000 0.9273000 
1 1 1  -19    5   27 o   15.550   0.4459   16.110   0.5970   14.980   0.6625 1.124000 0.8918000 
1 1 1  -19    5   28 o   12.980   0.5422   13.200   0.7520   12.770   0.7812 0.4246000 1.084000 
1 1 1  -19    5   29 o   14.840   0.5711   15.870   0.8739   13.800   0.7353 2.071000 1.142000 
1 1 1  -19    5   30 o   6.6230   1.2360   5.9230   1.9860   7.3240   1.4720 -1.402000 2.472000 
1 1 1  -19    5   31 o   9.3200   1.0310   9.5450   1.6290   9.0950   1.2650 0.4500000 2.062000 
1 1 1  -19    5   32 f   4.4190   1.3530   3.9750   1.9430   4.8630   1.8840 -0.8883000 2.706000 
1 1 1  -19    5   33 o   13.170   0.7792   14.570   0.9480   11.780   1.2370 2.789000 1.558000 
1 1 1  -19    5   34 o   8.4820   1.1380   8.7770   1.4790   8.1860   1.7290 0.5906000 2.275000 
1 1 1  -19    5   35 o   4.5220   1.2300   5.7280   1.8930   3.3160   1.5700 2.412000 2.459000 
1 1 1  -19    5   36 o   4.3360   1.3240   3.7590   1.7230   4.9120   2.0120 -1.153000 2.649000 
1 1 1  -19    5   37 o   2.8880   1.0090   2.9200   1.4370   2.8550   1.4160 0.6522000E-01 2.017000 
1 1 1  -19    7    1 o   40.200   0.5514  ?   ?    40.200   0.5514      ?      ? 
1 1 1  -19    7    2 o   34.110   0.3487   34.100   0.4926   34.120   0.4937 -0.2635000E-01 0.6974000 
1 1 1  -19    7    3 o   38.990   0.4787   38.690   0.5363   39.280   0.7932 -0.5951000 0.9575000 
1 1 1  -19    7    4 o   33.510   0.3480   33.620   0.4919   33.400   0.4923 0.2212000 0.6960000 
1 1 1  -19    7    5 o   44.530   0.4240   45.100   0.6045   43.960   0.5946 1.133000 0.8479000 
1 1 1  -19    7    6 o   40.840   0.2849   40.850   0.4025   40.830   0.4034 0.2142000E-01 0.5698000 
1 1 1  -19    7    7 o   49.550   0.3303   49.710   0.4680   49.400   0.4663 0.3054000 0.6606000 
1 1 1  -19    7    8 o   59.060   0.3854   58.910   0.5434   59.210   0.5467 -0.3005000 0.7708000 
1 1 1  -19    7    9 o   45.590   0.3125   45.600   0.4419   45.590   0.4419 0.1033000E-01 0.6250000 
1 1 1  -19    7   10 o   44.230   0.3067   44.070   0.4316   44.400   0.4358 -0.3314000 0.6134000 
1 1 1  -19    7   11 o   35.940   0.3207   35.980   0.4550   35.900   0.4521 0.7973000E-01 0.6414000 
1 1 1  -19    7   12 o   26.040   0.3445   26.670   0.4239   25.410   0.5431 1.266000 0.6890000 
1 1 1  -19    7   13 o   96.550   0.6150   96.450   0.8685   96.650   0.8709 -0.2024000 1.230000 
1 1 1  -19    7   14 o   96.420   0.6147   96.060   0.8659   96.780   0.8726 -0.7201000 1.229000 
1 1 1  -19    7   15 o   82.010   0.5283   81.960   0.7462   82.060   0.7482 -0.1041000 1.057000 
1 1 1  -19    7   16 o   15.830   0.4317   16.330   0.5741   15.320   0.6448 1.007000 0.8633000 
1 1 1  -19    7   17 o   43.080   0.3314   43.050   0.4692   43.110   0.4682 -0.5156000E-01 0.6628000 
1 1 1  -19    7   18 o   50.230   0.4720   49.020   0.5894   51.430   0.7375 -2.417000 0.9441000 
1 1 1  -19    7   19 o   31.540   0.3202   31.630   0.4519   31.440   0.4537 0.1932000 0.6404000 
1 1 1  -19    7   20 f   15.930   0.5185   16.230   0.6948   15.640   0.7697 0.5958000 1.037000 
1 1 1  -19    7   21 o   19.870   0.4252   20.220   0.5763   19.520   0.6254 0.6943000 0.8504000 
1 1 1  -19    7   22 o   5.6560   1.1460   5.4370   1.6170   5.8740   1.6240 -0.4377000 2.292000 
1 1 1  -19    7   23 o   9.3480   0.9048   10.310   1.0930   8.3810   1.4420 1.934000 1.810000 
1 1 1  -19    7   24 o   22.070   0.4221   22.050   0.6829   22.100   0.4963 -0.4642000E-01 0.8442000 
1 1 1  -19    7   25 o   16.930   0.5289   17.260   0.7913   16.600   0.7020 0.6584000 1.058000 
1 1 1  -19    7   26 o   13.280   0.5991   14.170   0.9032   12.390   0.7873 1.778000 1.198000 
1 1 1  -19    7   27 o   5.0100   1.2300   4.7690   1.8380   5.2510   1.6340 -0.4823000 2.459000 
1 1 1  -19    7   28 o   10.930   0.7675   10.890   1.2130   10.960   0.9410 -0.6850000E-01 1.535000 
1 1 1  -19    7   29 f   7.3570   1.0070   8.4630   1.1840   6.2520   1.6290 2.211000 2.014000 
1 1 1  -19    7   30 o   7.9280   0.9908   7.9700   1.3780   7.8860   1.4240 0.8426000E-01 1.982000 
1 1 1  -19    7   31 o   16.130   0.6189   15.620   0.9229   16.640   0.8248 -1.024000 1.238000 
1 1 1  -19    7   32 o   14.710   0.7110   15.750   0.9481   13.670   1.0600 2.077000 1.422000 
1 1 1  -19    7   33 o   9.8590   1.0750   10.460   1.3120   9.2540   1.7040 1.211000 2.151000 
1 1 1  -19    7   34 o   3.6120   1.1590   3.6760   1.6400   3.5480   1.6390 0.1278000 2.319000 
1 1 1  -19    7   35 o   5.8750   1.3540   6.1450   1.8560   5.6050   1.9730 0.5406000 2.709000 
1 1 1  -19    7   36 o   3.5970   1.1880   3.7300   1.7150   3.4650   1.6450 0.2657000 2.377000 
1 1 1  -19    7   37 o   2.2240   0.8033   2.0530   1.0550   2.3950   1.2120 -0.3411000 1.607000 
1 1 1  -19    9    1 o   41.280   0.2897   41.630   0.4121   40.920   0.4074 0.7096000 0.5795000 
1 1 1  -19    9    2 f   34.360   0.2601   34.870   0.3715   33.860   0.3641 1.012000 0.5202000 
1 1 1  -19    9    3 f   16.490   0.2888   16.500   0.4097   16.470   0.4071 0.3270000E-01 0.5775000 
1 1 1  -19    9    4 o   26.200   0.2481   26.350   0.3487   26.050   0.3529 0.3009000 0.4961000 
1 1 1  -19    9    5 o   38.180   0.2790   37.790   0.3912   38.580   0.3980 -0.7806000 0.5580000 
1 1 1  -19    9    6 o   54.250   0.3897   53.940   0.5864   54.550   0.5134 -0.6092000 0.7794000 
1 1 1  -19    9    7 o   48.180   0.3296   47.830   0.4634   48.530   0.4687 -0.6998000 0.6591000 
1 1 1  -19    9    8 o  111.900   0.7091  111.300   0.9971  112.600   1.0090 -1.272000 1.418000 
1 1 1  -19    9    9 o  112.500   0.8251  112.500   1.1670  112.600   1.1670 -0.9457000E-01 1.650000 
1 1 1  -19    9   10 o   12.220   0.6281   11.700   1.0270   12.730   0.7238 -1.036000 1.256000 
1 1 1  -19    9   11 o   9.5100   0.5886   10.080   0.7673   8.9440   0.8929 1.133000 1.177000 
1 1 1  -19    9   12 o   47.160   0.3338   47.440   0.4727   46.890   0.4715 0.5496000 0.6677000 
1 1 1  -19    9   13 o   49.560   0.3498   49.560   0.4952   49.570   0.4942 -0.1308000E-01 0.6996000 
1 1 1  -19    9   14 o   90.770   0.5825   90.570   0.8214   90.980   0.8262 -0.4088000 1.165000 
1 1 1  -19    9   15 o   28.970   0.3169   28.940   0.4426   29.000   0.4536 -0.5376000E-01 0.6338000 
1 1 1  -19    9   16 o   22.840   0.4254   23.570   0.5835   22.120   0.6191 1.447000 0.8508000 
1 1 1  -19    9   17 o   33.440   0.3773   33.450   0.5347   33.430   0.5326 0.2411000E-01 0.7547000 
1 1 1  -19    9   18 o   17.890   0.4450   17.990   0.6048   17.790   0.6529 0.1961000 0.8900000 
1 1 1  -19    9   19 o   10.780   0.8510   9.8770   1.4190   11.680   0.9399 -1.800000 1.702000 
1 1 1  -19    9   20 o   26.860   0.4826   25.730   0.6662   27.990   0.6984 -2.265000 0.9652000 
1 1 1  -19    9   21 o   23.210   0.4359   22.940   0.7023   23.470   0.5165 -0.5334000 0.8718000 
1 1 1  -19    9   22 o   22.890   0.5339   22.990   0.8646   22.790   0.6266 0.2013000 1.068000 
1 1 1  -19    9   23 o   4.9660   1.1850   3.9890   1.7070   5.9430   1.6450 -1.953000 2.371000 
1 1 1  -19    9   24 o   12.340   0.6518   11.430   1.0550   13.250   0.7664 -1.825000 1.304000 
1 1 1  -19    9   25 o   11.490   0.7102   11.930   0.9836   11.040   1.0250 0.8850000 1.420000 
1 1 1  -19    9   26 o   18.910   0.3924   19.300   0.5283   18.520   0.5803 0.7816000 0.7847000 
1 1 1  -19    9   27 o   4.8170   1.1320   5.5360   1.5890   4.0980   1.6140 1.438000 2.265000 
1 1 1  -19    9   28 o   18.610   0.4069   18.390   0.5582   18.840   0.5921 -0.4518000 0.8137000 
1 1 1  -19    9   29 o   5.2510   1.1800   5.6550   1.6260   4.8480   1.7090 0.8069000 2.359000 
1 1 1  -19    9   30 o   3.4450   1.0670   4.0690   1.6550   2.8220   1.3460 1.247000 2.133000 
1 1 1  -19    9   31 o   11.520   0.8571   10.970   1.2800   12.070   1.1410 -1.105000 1.714000 
1 1 1  -19    9   32 o   11.770   0.7740   11.140   1.0990   12.400   1.0900 -1.263000 1.548000 
1 1 1  -19    9   33 o   13.120   0.8094   13.150   1.0600   13.080   1.2240 0.7272000E-01 1.619000 
1 1 1  -19    9   34 o   7.2460   1.2160   8.8990   1.4530   5.5930   1.9510 3.306000 2.432000 
1 1 1  -19    9   35 o   11.080   1.0520   11.170   1.4290   11.000   1.5440 0.1695000 2.104000 
1 1 1  -19    9   36 o   2.6660   0.9299   2.5490   1.2670   2.7830   1.3610 -0.2340000 1.860000 
1 1 1  -19   11    1 o   33.660   0.2716   33.760   0.3830   33.570   0.3851 0.1884000 0.5431000 
1 1 1  -19   11    2 o   28.640   0.2875   28.420   0.3721   28.850   0.4384 -0.4250000 0.5751000 
1 1 1  -19   11    3 o   40.430   0.2949   40.350   0.4162   40.500   0.4178 -0.1428000 0.5897000 
1 1 1  -19   11    4 o   40.090   0.3209   40.090   0.4157   40.090   0.4888 -0.6294000E-02 0.6417000 
1 1 1  -19   11    5 o   78.050   0.5016   77.610   0.7052   78.490   0.7137 -0.8805000 1.003000 
1 1 1  -19   11    6 o   68.160   0.5140   68.690   0.7312   67.630   0.7227 1.068000 1.028000 
1 1 1  -19   11    7 o   52.210   0.4141   52.770   0.5897   51.660   0.5815 1.111000 0.8282000 
1 1 1  -19   11    8 o   42.550   0.4108   42.370   0.6351   42.730   0.5211 -0.3590000 0.8215000 
1 1 1  -19   11    9 o   42.980   0.3197   43.240   0.4537   42.720   0.4505 0.5169000 0.6394000 
1 1 1  -19   11   10 o   50.100   0.3533   50.070   0.4991   50.120   0.5002 -0.4668000E-01 0.7066000 
1 1 1  -19   11   11 o   34.330   0.3061   34.200   0.4279   34.470   0.4377 -0.2726000 0.6121000 
1 1 1  -19   11   12 o   38.560   0.3176   38.420   0.4444   38.700   0.4538 -0.2811000 0.6352000 
1 1 1  -19   11   13 o   45.490   0.3469   45.420   0.4897   45.560   0.4914 -0.1407000 0.6937000 
1 1 1  -19   11   14 o   22.580   0.6065   23.700   1.0220   21.450   0.6531 2.248000 1.213000 
1 1 1  -19   11   15 o   74.780   0.8111   74.800   1.4080   74.760   0.8062 0.4203000E-01 1.622000 
1 1 1  -19   11   16 o   38.370   0.4019   38.220   0.6456   38.520   0.4789 -0.3062000 0.8038000 
1 1 1  -19   11   17 o   40.420   0.4096   40.900   0.6608   39.940   0.4844 0.9612000 0.8193000 
1 1 1  -19   11   18 o   44.080   0.4252   44.360   0.6858   43.800   0.5027 0.5615000 0.8503000 
1 1 1  -19   11   19 o   15.790   0.6328   14.870   0.9998   16.710   0.7758 -1.845000 1.266000 
1 1 1  -19   11   20 f   24.250   0.3951   23.550   0.5149   24.950   0.5994 -1.395000 0.7901000 
1 1 1  -19   11   21 o   34.770   0.3770   35.310   0.5232   34.230   0.5429 1.081000 0.7540000 
1 1 1  -19   11   22 o   5.7980   1.0550   7.3280   1.3190   4.2670   1.6480 3.061000 2.111000 
1 1 1  -19   11   23 o   20.710   0.3768   20.950   0.5151   20.470   0.5501 0.4805000 0.7536000 
1 1 1  -19   11   24 o   7.9420   1.0600   8.6450   1.3820   7.2380   1.6080 1.407000 2.121000 
1 1 1  -19   11   25 o   5.5820   1.1230   6.2550   1.5120   4.9080   1.6610 1.348000 2.246000 
1 1 1  -19   11   26 o   13.160   0.5332   12.690   0.7600   13.630   0.7481 -0.9349000 1.066000 
1 1 1  -19   11   27 f   18.670   0.4153   19.050   0.5599   18.290   0.6135 0.7611000 0.8306000 
1 1 1  -19   11   28 o   10.560   0.7539   12.390   0.8172   8.7300   1.2670 3.657000 1.508000 
1 1 1  -19   11   29 o   3.3890   1.0720   3.1020   1.4310   3.6760   1.5980 -0.5739000 2.145000 
1 1 1  -19   11   30 o   11.340   0.8914   11.960   1.1550   10.730   1.3580 1.235000 1.783000 
1 1 1  -19   11   31 o   10.020   0.9269   11.030   1.0900   9.0140   1.4990 2.017000 1.854000 
1 1 1  -19   11   32 o   11.350   0.9544   12.640   1.0600   10.050   1.5880 2.583000 1.909000 
1 1 1  -19   11   33 o   9.0230   1.1140   10.250   1.2490   7.7990   1.8460 2.448000 2.229000 
1 1 1  -19   11   34 o   6.2530   1.3240   8.1470   1.8210   4.3600   1.9220 3.787000 2.648000 
1 1 1  -19   11   35 o   4.3450   1.2730   4.5260   1.8160   4.1630   1.7840 0.3628000 2.546000 
1 1 1  -19   11   36 o   2.5710   1.2900   2.5710   1.2900  ?   ?       ?      ? 
1 1 1  -19   13    1 o   60.660   0.4039   60.620   0.5710   60.700   0.5714 -0.7581000E-01 0.8078000 
1 1 1  -19   13    2 o   20.490   0.3296   20.540   0.4592   20.440   0.4728 0.1010000 0.6591000 
1 1 1  -19   13    3 o   34.920   0.2936   34.780   0.4123   35.060   0.4181 -0.2804000 0.5872000 
1 1 1  -19   13    4 o   31.100   0.3175   31.470   0.4102   30.740   0.4847 0.7328000 0.6350000 
1 1 1  -19   13    5 o   58.800   0.3967   58.950   0.5601   58.640   0.5619 0.3064000 0.7934000 
1 1 1  -19   13    6 o  114.500   0.7281  114.000   1.0250  115.000   1.0340 -1.073000 1.456000 
1 1 1  -19   13    7 o   24.340   0.3974   24.520   0.6346   24.160   0.4787 0.3623000 0.7949000 
1 1 1  -19   13    8 o  108.400   0.8460  107.900   1.3780  108.900   0.9815 -0.9597000 1.692000 
1 1 1  -19   13    9 o  108.000   0.8931  107.600   1.3810  108.400   1.1330 -0.8105000 1.786000 
1 1 1  -19   13   10 o   53.980   0.4723   54.560   0.7734   53.400   0.5423 1.155000 0.9446000 
1 1 1  -19   13   11 o   49.040   0.5948   48.480   1.0250   49.610   0.6031 -1.126000 1.190000 
1 1 1  -19   13   12 o   72.030   0.7944   72.760   1.3860   71.290   0.7768 1.474000 1.589000 
1 1 1  -19   13   13 o   31.180   0.4167   30.650   0.6744   31.710   0.4895 -1.057000 0.8333000 
1 1 1  -19   13   14 o   46.420   0.3586   46.130   0.5049   46.720   0.5094 -0.5824000 0.7173000 
1 1 1  -19   13   15 o   27.640   0.3625   27.430   0.5080   27.850   0.5173 -0.4156000 0.7250000 
1 1 1  -19   13   16 o   27.360   0.3615   27.280   0.4963   27.440   0.5257 -0.1617000 0.7230000 
1 1 1  -19   13   17 o   27.720   0.3965   27.730   0.5447   27.700   0.5762 0.3037000E-01 0.7929000 
1 1 1  -19   13   18 o   14.740   0.6003   14.580   0.7924   14.900   0.9021 -0.3194000 1.201000 
1 1 1  -19   13   19 o   32.100   0.3891   32.260   0.5283   31.950   0.5714 0.3072000 0.7782000 
1 1 1  -19   13   20 o   14.010   0.5409   13.560   0.7537   14.470   0.7761 -0.9108000 1.082000 
1 1 1  -19   13   21 o   17.180   0.4462   16.870   0.6124   17.490   0.6490 -0.6207000 0.8923000 
1 1 1  -19   13   22 o   7.6770   0.9545   7.9850   1.2570   7.3690   1.4360 0.6168000 1.909000 
1 1 1  -19   13   23 o   18.560   0.4755   18.360   0.6822   18.760   0.6627 -0.3998000 0.9511000 
1 1 1  -19   13   24 o   6.3010   1.2170   5.3470   1.8180   7.2560   1.6180 -1.910000 2.434000 
1 1 1  -19   13   25 o   25.340   0.3482   25.630   0.4786   25.060   0.5059 0.5677000 0.6964000 
1 1 1  -19   13   26 o   5.1380   1.1300   6.3370   1.5640   3.9400   1.6330 2.397000 2.261000 
1 1 1  -19   13   27 o   5.8820   1.1890   5.3120   1.6960   6.4520   1.6670 -1.140000 2.379000 
1 1 1  -19   13   28 o   13.830   0.7121   13.800   1.0000   13.850   1.0140 -0.5829000E-01 1.424000 
1 1 1  -19   13   29 o   10.630   0.9546   9.3250   1.4750   11.930   1.2120 -2.603000 1.909000 
1 1 1  -19   13   30 o   12.710   0.7090   13.100   0.9199   12.320   1.0790 0.7813000 1.418000 
1 1 1  -19   13   31 o   3.9230   1.1740   4.6070   1.7760   3.2390   1.5360 1.368000 2.348000 
1 1 1  -19   13   32 o   10.850   1.0030   11.710   1.1660   9.9870   1.6320 1.720000 2.005000 
1 1 1  -19   13   33 o   3.3810   1.1420   3.1480   1.5180   3.6140   1.7070 -0.4655000 2.284000 
1 1 1  -19   13   34 o   7.7620   1.2160   6.7590   1.8540   8.7640   1.5740 -2.004000 2.432000 
1 1 1  -19   13   35 o   3.1940   1.0670   3.2080   1.5150   3.1800   1.5020 0.2747000E-01 2.133000 
1 1 1  -19   15    1 o   80.460   0.8539   79.340   1.4730   81.590   0.8634 -2.255000 1.708000 
1 1 1  -19   15    2 o   39.530   0.5329   38.970   0.9232   40.080   0.5325 -1.105000 1.066000 
1 1 1  -19   15    3 o   39.060   0.5348   37.790   0.9264   40.330   0.5345 -2.540000 1.070000 
1 1 1  -19   15    4 o   63.530   0.6944   61.940   1.1930   65.130   0.7112 -3.188000 1.389000 
1 1 1  -19   15    5 o   20.990   0.7264   20.530   1.1900   21.450   0.8340 -0.9199000 1.453000 
1 1 1  -19   15    6 o   59.330   0.6665   58.400   1.1490   60.260   0.6752 -1.861000 1.333000 
1 1 1  -19   15    7 o   30.800   0.3957   30.860   0.5544   30.750   0.5647 0.1076000 0.7914000 
1 1 1  -19   15    8 o   45.550   0.4571   45.710   0.7032   45.390   0.5844 0.3165000 0.9143000 
1 1 1  -19   15    9 o   26.270   0.4297   26.290   0.5893   26.240   0.6254 0.5366000E-01 0.8593000 
1 1 1  -19   15   10 o   16.690   0.5258   16.420   0.7440   16.960   0.7431 -0.5488000 1.052000 
1 1 1  -19   15   11 o   67.220   0.4554   67.340   0.6426   67.090   0.6454 0.2537000 0.9107000 
1 1 1  -19   15   12 o   19.750   0.4576   19.750   0.6361   19.750   0.6580 -0.2005000E-02 0.9152000 
1 1 1  -19   15   13 o   53.280   0.3894   53.140   0.5465   53.420   0.5550 -0.2804000 0.7789000 
1 1 1  -19   15   14 o   20.770   0.4901   21.800   0.5900   19.730   0.7828 2.071000 0.9803000 
1 1 1  -19   15   15 o   14.980   0.5737   14.620   0.8066   15.330   0.8162 -0.7132000 1.147000 
1 1 1  -19   15   16 o   24.160   0.5183   24.720   0.6772   23.600   0.7849 1.119000 1.037000 
1 1 1  -19   15   17 o   14.950   0.6826   15.370   0.9117   14.540   1.0160 0.8274000 1.365000 
1 1 1  -19   15   18 o   39.930   0.3452   40.110   0.4830   39.750   0.4934 0.3573000 0.6905000 
1 1 1  -19   15   19 o   25.700   0.3509   25.240   0.4975   26.160   0.4950 -0.9208000 0.7018000 
1 1 1  -19   15   20 o   19.710   0.4031   19.500   0.5548   19.930   0.5848 -0.4234000 0.8061000 
1 1 1  -19   15   21 o   16.040   0.4637   16.150   0.6327   15.930   0.6781 0.2261000 0.9274000 
1 1 1  -19   15   22 o   13.870   0.5965   13.640   0.8656   14.110   0.8210 -0.4658000 1.193000 
1 1 1  -19   15   23 o   22.750   0.3743   22.740   0.5055   22.760   0.5520 -0.1744000E-01 0.7485000 
1 1 1  -19   15   24 o   8.7030   0.8626   8.2780   1.1900   9.1270   1.2490 -0.8485000 1.725000 
1 1 1  -19   15   25 f   10.650   0.7322   10.930   0.9659   10.360   1.1010 0.5663000 1.464000 
1 1 1  -19   15   26 o   14.360   0.5655   14.130   0.7702   14.590   0.8283 -0.4600000 1.131000 
1 1 1  -19   15   27 o   6.1970   1.3870   5.5080   1.9510   6.8860   1.9720 -1.378000 2.774000 
1 1 1  -19   15   28 o   10.360   0.8606   10.460   1.1130   10.270   1.3130 0.1885000 1.721000 
1 1 1  -19   15   29 o   3.7560   1.1800   3.5030   1.5830   4.0100   1.7510 -0.5065000 2.361000 
1 1 1  -19   15   30 o   5.0110   1.3170   5.5650   1.8560   4.4560   1.8690 1.109000 2.634000 
1 1 1  -19   15   31 o   11.250   0.9913   10.850   1.3690   11.660   1.4340 -0.8093000 1.983000 
1 1 1  -19   15   32 o   4.3270   1.3000   5.1410   1.9890   3.5130   1.6730 1.627000 2.599000 
1 1 1  -19   15   33 o   3.2740   1.0690   4.0370   1.7300   2.5110   1.2560 1.526000 2.138000 
1 1 1  -19   15   34 o   2.7540   0.9541   2.8940   1.4010   2.6140   1.2960 0.2800000 1.908000 
1 1 1  -19   17    1 o   33.220   0.3456   33.100   0.4878   33.350   0.4897 -0.2477000 0.6912000 
1 1 1  -19   17    2 o   33.750   0.3421   33.360   0.4817   34.130   0.4859 -0.7704000 0.6842000 
1 1 1  -19   17    3 o   45.490   0.3566   45.240   0.5003   45.740   0.5084 -0.4953000 0.7132000 
1 1 1  -19   17    4 o   38.280   0.3430   38.530   0.4838   38.030   0.4862 0.5005000 0.6859000 
1 1 1  -19   17    5 o   34.990   0.3470   34.580   0.4831   35.390   0.4983 -0.8146000 0.6940000 
1 1 1  -19   17    6 o   83.400   0.5454   83.510   0.7704   83.280   0.7723 0.2392000 1.091000 
1 1 1  -19   17    7 o   60.000   0.4197   59.730   0.5881   60.270   0.5989 -0.5373000 0.8394000 
1 1 1  -19   17    8 o   23.630   0.4102   23.830   0.5550   23.420   0.6041 0.4053000 0.8203000 
1 1 1  -19   17    9 o   26.320   0.3835   26.530   0.5142   26.100   0.5692 0.4321000 0.7670000 
1 1 1  -19   17   10 o   38.220   0.3497   38.510   0.4822   37.930   0.5067 0.5810000 0.6995000 
1 1 1  -19   17   11 o   6.3170   1.1860   7.7370   1.4820   4.8970   1.8530 2.841000 2.373000 
1 1 1  -19   17   12 o   32.440   0.3618   32.800   0.5022   32.080   0.5211 0.7199000 0.7237000 
1 1 1  -19   17   13 o   20.180   0.5903   20.270   0.7847   20.100   0.8821 0.1684000 1.181000 
1 1 1  -19   17   14 f   30.980   0.4740   31.190   0.6356   30.770   0.7033 0.4218000 0.9480000 
1 1 1  -19   17   15 o   15.650   0.6531   16.370   0.8708   14.930   0.9735 1.434000 1.306000 
1 1 1  -19   17   16 o   13.600   0.5956   14.090   0.7849   13.110   0.8961 0.9841000 1.191000 
1 1 1  -19   17   17 o   16.310   0.4893   16.800   0.6386   15.830   0.7417 0.9713000 0.9787000 
1 1 1  -19   17   18 o   14.860   0.5193   15.110   0.6997   14.610   0.7676 0.4970000 1.039000 
1 1 1  -19   17   19 o   8.2580   0.9645   10.030   1.0030   6.4890   1.6470 3.539000 1.929000 
1 1 1  -19   17   20 f   12.380   0.6976   12.160   0.9910   12.600   0.9821 -0.4470000 1.395000 
1 1 1  -19   17   21 o   9.3530   0.9636   10.500   1.1810   8.2020   1.5230 2.302000 1.927000 
1 1 1  -19   17   22 o   18.470   0.4356   18.860   0.5947   18.080   0.6367 0.7797000 0.8712000 
1 1 1  -19   17   23 o   12.680   0.6306   13.520   0.7843   11.850   0.9877 1.665000 1.261000 
1 1 1  -19   17   24 o   6.8790   1.1170   8.4460   1.3210   5.3120   1.8010 3.133000 2.234000 
1 1 1  -19   17   25 o   11.220   0.8786   11.100   1.2510   11.340   1.2340 -0.2324000 1.757000 
1 1 1  -19   17   26 o   12.540   0.9118   14.350   0.9942   10.740   1.5290 3.615000 1.824000 
1 1 1  -19   17   27 o   5.1460   1.3020   5.4690   1.8020   4.8220   1.8790 0.6471000 2.603000 
1 1 1  -19   17   28 o   5.6420   1.3200   6.1660   1.8250   5.1180   1.9060 1.048000 2.639000 
1 1 1  -19   17   29 o   5.1110   1.2610   6.4200   1.8470   3.8020   1.7170 2.618000 2.522000 
1 1 1  -19   17   30 o   5.8260   1.4360   6.4330   1.9910   5.2180   2.0690 1.215000 2.871000 
1 1 1  -19   17   31 o   3.3310   1.1170   3.7910   1.7180   2.8700   1.4280 0.9207000 2.234000 
1 1 1  -19   17   32 o   3.3060   1.0930   3.0360   1.4520   3.5760   1.6350 -0.5393000 2.187000 
1 1 1  -19   17   33 o   2.7110   0.9407   2.7650   1.3510   2.6570   1.3090 0.1085000 1.881000 
1 1 1  -19   19    1 o   29.610   0.3585   29.500   0.5067   29.710   0.5074 -0.2058000 0.7170000 
1 1 1  -19   19    2 o   22.470   0.4079   22.270   0.5764   22.670   0.5772 -0.4013000 0.8157000 
1 1 1  -19   19    3 o   7.7460   1.1060   8.5380   1.4010   6.9540   1.7120 1.583000 2.213000 
1 1 1  -19   19    4 o   36.130   0.3425   36.180   0.4828   36.080   0.4860 0.1057000 0.6851000 
1 1 1  -19   19    5 o   35.840   0.3499   36.120   0.4834   35.570   0.5059 0.5479000 0.6997000 
1 1 1  -19   19    6 o   19.240   0.4797   18.970   0.6533   19.520   0.7027 -0.5569000 0.9595000 
1 1 1  -19   19    7 o   64.690   0.4461   64.700   0.6257   64.680   0.6361 0.1794000E-01 0.8923000 
1 1 1  -19   19    8 o   16.000   0.6616   15.940   0.8465   16.060   1.0170 -0.1193000 1.323000 
1 1 1  -19   19    9 o   26.870   0.5315   26.010   0.7275   27.730   0.7752 -1.719000 1.063000 
1 1 1  -19   19   10 o   21.610   0.5874   22.170   0.7794   21.040   0.8791 1.139000 1.175000 
1 1 1  -19   19   11 o   26.040   0.5136   26.680   0.6926   25.400   0.7587 1.282000 1.027000 
1 1 1  -19   19   12 f   24.720   0.4109   25.060   0.5927   24.390   0.5691 0.6782000 0.8217000 
1 1 1  -19   19   13 o   6.3690   1.2400   7.1880   1.6990   5.5490   1.8060 1.639000 2.480000 
1 1 1  -19   19   14 o   3.9240   1.1690   3.9090   1.6390   3.9380   1.6670 -0.2846000E-01 2.338000 
1 1 1  -19   19   15 f   19.380   0.5027   19.430   0.7682   19.330   0.6488 0.1026000 1.005000 
1 1 1  -19   19   16 o   11.940   0.6576   12.520   0.8336   11.360   1.0170 1.160000 1.315000 
1 1 1  -19   19   17 o   5.2980   1.1630   6.4810   1.6060   4.1140   1.6820 2.368000 2.326000 
1 1 1  -19   19   18 o   8.7730   1.0370   8.4140   1.4960   9.1320   1.4370 -0.7183000 2.075000 
1 1 1  -19   19   19 o   9.5230   0.9535   10.010   1.2020   9.0370   1.4800 0.9728000 1.907000 
1 1 1  -19   19   20 o   12.570   0.6481   11.300   0.9633   13.840   0.8674 -2.544000 1.296000 
1 1 1  -19   19   21 o   25.560   0.3791   25.160   0.5339   25.960   0.5384 -0.8032000 0.7582000 
1 1 1  -19   19   22 o   3.7690   1.1530   3.6990   1.6020   3.8400   1.6580 -0.1402000 2.306000 
1 1 1  -19   19   23 o   4.6750   1.3630   4.6700   1.9160   4.6810   1.9390 -0.1108000E-01 2.726000 
1 1 1  -19   19   24 f   11.120   1.0020   10.860   1.4630   11.380   1.3690 -0.5255000 2.004000 
1 1 1  -19   19   25 o   5.8170   1.3150   5.3610   1.8140   6.2740   1.9060 -0.9139000 2.631000 
1 1 1  -19   19   26 o   9.8250   0.9497   10.610   1.1300   9.0400   1.5270 1.571000 1.899000 
1 1 1  -19   19   27 f   4.7410   1.3110   5.0520   1.8490   4.4310   1.8590 0.6218000 2.622000 
1 1 1  -19   19   28 o   8.4750   1.2030   8.8510   1.5350   8.0980   1.8530 0.7538000 2.406000 
1 1 1  -19   19   29 o   4.2420   1.3610   4.5450   1.9860   3.9390   1.8620 0.6060000 2.722000 
1 1 1  -19   19   30 o   2.8740   0.9911   2.9500   1.4270   2.7970   1.3760 0.1522000 1.982000 
1 1 1  -19   19   31 o   2.6500   0.9359   2.3790   1.1920   2.9220   1.4430 -0.5429000 1.872000 
1 1 1  -19   21    1 o   19.830   0.5096   19.870   0.7250   19.780   0.7164 0.8856000E-01 1.019000 
1 1 1  -19   21    2 o   14.570   0.6531   14.650   0.9326   14.500   0.9146 0.1511000 1.306000 
1 1 1  -19   21    3 o   15.400   0.6108   16.250   0.8350   14.560   0.8916 1.695000 1.222000 
1 1 1  -19   21    4 f   16.640   0.5693   16.730   0.8200   16.550   0.7900 0.1845000 1.139000 
1 1 1  -19   21    5 o   3.7700   1.1940   3.9210   1.7180   3.6190   1.6580 0.3018000 2.387000 
1 1 1  -19   21    6 o   23.410   0.4582   23.250   0.6320   23.560   0.6635 -0.3097000 0.9164000 
1 1 1  -19   21    7 o   18.330   0.4714   17.220   0.6695   19.430   0.6637 -2.212000 0.9428000 
1 1 1  -19   21    8 o   27.330   0.3640   27.750   0.4907   26.910   0.5378 0.8452000 0.7280000 
1 1 1  -19   21    9 o   11.780   0.6964   12.740   0.8585   10.820   1.0970 1.915000 1.393000 
1 1 1  -19   21   10 o   33.520   0.3703   32.850   0.4672   34.180   0.5746 -1.329000 0.7405000 
1 1 1  -19   21   11 o   17.630   0.4616   17.320   0.6297   17.940   0.6752 -0.6194000 0.9233000 
1 1 1  -19   21   12 o   23.210   0.3831   23.280   0.5084   23.150   0.5733 0.1258000 0.7663000 
1 1 1  -19   21   13 o   21.670   0.3986   21.630   0.5302   21.710   0.5953 -0.8506000E-01 0.7971000 
1 1 1  -19   21   14 o   14.710   0.5502   14.430   0.7262   15.000   0.8268 -0.5687000 1.100000 
1 1 1  -19   21   15 o   31.930   0.3516   31.500   0.4851   32.360   0.5090 -0.8506000 0.7032000 
1 1 1  -19   21   16 o   28.940   0.4260   27.900   0.6140   29.990   0.5907 -2.091000 0.8520000 
1 1 1  -19   21   17 o   4.1570   1.2330   4.6820   1.8420   3.6320   1.6400 1.049000 2.466000 
1 1 1  -19   21   18 o   4.4210   1.2220   4.0010   1.6490   4.8410   1.8030 -0.8406000 2.443000 
1 1 1  -19   21   19 o   13.780   0.6019   13.330   0.8432   14.230   0.8591 -0.8945000 1.204000 
1 1 1  -19   21   20 o   17.090   0.5166   16.430   0.7207   17.750   0.7405 -1.321000 1.033000 
1 1 1  -19   21   21 o   4.5510   1.3440   4.0070   1.7880   5.0950   2.0070 -1.088000 2.688000 
1 1 1  -19   21   22 o   6.0100   1.4720   6.2850   2.0700   5.7350   2.0930 0.5502000 2.944000 
1 1 1  -19   21   23 o   3.7200   1.1690   3.4400   1.5640   4.0000   1.7370 -0.5596000 2.337000 
1 1 1  -19   21   24 o   4.8600   1.3050   5.1440   1.8440   4.5770   1.8480 0.5671000 2.611000 
1 1 1  -19   21   25 o   6.5480   1.1990   4.3930   1.7770   8.7030   1.6100 -4.311000 2.398000 
1 1 1  -19   21   26 o   9.9350   0.9547   9.3740   1.4000   10.500   1.2990 -1.121000 1.909000 
1 1 1  -19   21   27 o   3.5930   1.2410   3.5380   1.6930   3.6490   1.8150 -0.1111000 2.483000 
1 1 1  -19   21   28 o   6.3450   1.5340   7.7110   2.0450   4.9800   2.2860 2.731000 3.068000 
1 1 1  -19   21   29 o   2.8720   0.9931   3.1640   1.4920   2.5790   1.3110 0.5845000 1.986000 
1 1 1  -19   21   30 o   2.8820   1.0020   2.8630   1.3820   2.9010   1.4510 -0.3754000E-01 2.003000 
1 1 1  -19   23    1 o   25.720   0.3570   26.030   0.4983   25.420   0.5115 0.6125000 0.7141000 
1 1 1  -19   23    2 o   19.220   0.4256   19.610   0.5882   18.830   0.6153 0.7878000 0.8512000 
1 1 1  -19   23    3 o   18.780   0.4270   18.050   0.6199   19.510   0.5876 -1.452000 0.8541000 
1 1 1  -19   23    4 o   16.090   0.4908   16.770   0.6641   15.400   0.7228 1.376000 0.9816000 
1 1 1  -19   23    5 o   21.800   0.3938   20.720   0.5562   22.890   0.5577 -2.174000 0.7877000 
1 1 1  -19   23    6 o   8.8550   0.9106   9.1360   1.1780   8.5750   1.3890 0.5609000 1.821000 
1 1 1  -19   23    7 o   14.590   0.5650   15.410   0.7153   13.770   0.8748 1.634000 1.130000 
1 1 1  -19   23    8 o   19.010   0.4499   19.760   0.5827   18.260   0.6856 1.495000 0.8998000 
1 1 1  -19   23    9 o   19.360   0.4471   19.310   0.5961   19.410   0.6665 -0.1040000 0.8942000 
1 1 1  -19   23   10 o   12.620   0.6407   13.230   0.8094   12.020   0.9933 1.209000 1.281000 
1 1 1  -19   23   11 o   17.820   0.4728   17.270   0.6484   18.380   0.6884 -1.109000 0.9457000 
1 1 1  -19   23   12 o   8.0940   1.1110   6.5170   1.7400   9.6700   1.3810 -3.153000 2.222000 
1 1 1  -19   23   13 o   7.6820   1.1570   5.8230   1.8160   9.5410   1.4330 -3.718000 2.314000 
1 1 1  -19   23   14 o   17.150   0.5454   17.050   0.7412   17.240   0.8004 -0.1899000 1.091000 
1 1 1  -19   23   15 o   21.370   0.4213   22.250   0.5542   20.500   0.6346 1.752000 0.8425000 
1 1 1  -19   23   16 o   17.480   0.4935   17.730   0.6443   17.240   0.7478 0.4987000 0.9870000 
1 1 1  -19   23   17 o   17.630   0.5152   17.740   0.6910   17.520   0.7644 0.2251000 1.030000 
1 1 1  -19   23   18 f   11.900   0.9546   12.310   1.2940   11.490   1.4040 0.8203000 1.909000 
1 1 1  -19   23   19 o   8.1730   1.3430   9.3750   1.7150   6.9720   2.0660 2.404000 2.686000 
1 1 1  -19   23   20 o   3.4940   1.1180   3.8000   1.6530   3.1880   1.5060 0.6121000 2.236000 
1 1 1  -19   23   21 o   9.2160   1.0490   10.130   1.2360   8.2970   1.6960 1.837000 2.099000 
1 1 1  -19   23   22 o   9.3710   1.1670   10.920   1.1710   7.8250   2.0190 3.091000 2.334000 
1 1 1  -19   23   23 o   5.1280   1.4420   4.7970   1.8640   5.4590   2.2020 -0.6619000 2.885000 
1 1 1  -19   23   24 o   4.2790   1.3490   3.6200   1.6480   4.9380   2.1350 -1.318000 2.697000 
1 1 1  -19   23   25 o   6.7180   1.7140   6.3220   2.2100   7.1140   2.6210 -0.7926000 3.429000 
1 1 1  -19   23   26 o   3.5870   1.2060   3.1120   1.5270   4.0630   1.8680 -0.9510000 2.413000 
1 1 1  -19   23   27 o   3.7780   1.1580   2.8610   1.3860   4.6950   1.8550 -1.833000 2.316000 
1 1 1  -19   23   28 o   2.6970   0.9372   2.2220   1.1230   3.1720   1.5010 -0.9494000 1.874000 
1 1 1  -19   25    1 o   27.500   0.4084   27.430   0.5677   27.580   0.5874 -0.1517000 0.8169000 
1 1 1  -19   25    2 o   13.240   0.7077   14.810   0.8540   11.660   1.1290 3.152000 1.415000 
1 1 1  -19   25    3 o   27.200   0.4090   26.670   0.5777   27.730   0.5791 -1.063000 0.8180000 
1 1 1  -19   25    4 o   30.550   0.3994   30.480   0.5589   30.620   0.5706 -0.1371000 0.7987000 
1 1 1  -19   25    5 o   26.590   0.4171   26.590   0.5768   26.600   0.6026 -0.3851000E-02 0.8342000 
1 1 1  -19   25    6 o   16.280   0.5879   16.350   0.8033   16.210   0.8585 0.1408000 1.176000 
1 1 1  -19   25    7 o   11.830   0.7945   11.670   1.0980   11.980   1.1490 -0.3077000 1.589000 
1 1 1  -19   25    8 o   4.9810   1.3110   5.4920   1.8670   4.4690   1.8410 1.023000 2.622000 
1 1 1  -19   25    9 o   4.4190   1.2370   5.3470   1.8730   3.4920   1.6170 1.855000 2.474000 
1 1 1  -19   25   10 o   3.6010   1.1230   3.8090   1.6210   3.3920   1.5560 0.4167000 2.246000 
1 1 1  -19   25   11 o   10.460   0.8063   10.060   1.1270   10.860   1.1540 -0.8045000 1.613000 
1 1 1  -19   25   12 o   12.050   0.7050   11.140   1.0120   12.960   0.9818 -1.830000 1.410000 
1 1 1  -19   25   13 o   6.5300   1.2320   7.0660   1.5980   5.9930   1.8760 1.073000 2.465000 
1 1 1  -19   25   14 o   5.7350   1.3720   6.6120   1.9090   4.8580   1.9720 1.754000 2.745000 
1 1 1  -19   25   15 o   4.8510   1.3130   3.5530   1.6390   6.1490   2.0530 -2.595000 2.627000 
1 1 1  -19   25   16 o   5.1830   1.3840   6.0000   2.0050   4.3670   1.9090 1.632000 2.768000 
1 1 1  -19   25   17 o   14.950   0.7460   16.280   0.7610   13.620   1.2830 2.655000 1.492000 
1 1 1  -19   25   18 o   7.4500   1.3190   8.9090   1.3990   5.9920   2.2360 2.916000 2.637000 
1 1 1  -19   25   19 o   5.4900   1.4410   5.6000   1.8860   5.3800   2.1800 0.2203000 2.882000 
1 1 1  -19   25   20 f   4.2830   1.3390   3.2760   1.5410   5.2900   2.1900 -2.014000 2.678000 
1 1 1  -19   25   21 f   3.8840   1.2160   2.9680   1.4310   4.8010   1.9680 -1.833000 2.433000 
1 1 1  -19   25   22 o   9.1970   1.2260   8.2850   1.8470   10.110   1.6140 -1.825000 2.453000 
1 1 1  -19   25   23 o   3.6930   1.2360   3.4910   1.6680   3.8960   1.8230 -0.4050000 2.471000 
1 1 1  -19   25   24 o   2.5930   0.9174   2.6450   1.3180   2.5400   1.2760 0.1053000 1.835000 
1 1 1  -19   25   25 o   3.4270   1.1180   3.2190   1.5120   3.6340   1.6480 -0.4148000 2.237000 
1 1 1  -19   25   26 o   2.1910   0.7853   2.0860   1.0620   2.2950   1.1580 -0.2087000 1.571000 
1 1 1  -19   27    1 o   21.760   0.4246   21.720   0.6015   21.790   0.5995 -0.7427000E-01 0.8492000 
1 1 1  -19   27    2 o   11.840   0.7187   12.340   0.9581   11.340   1.0720 0.9962000 1.437000 
1 1 1  -19   27    3 o   13.330   0.6355   13.510   0.8752   13.150   0.9216 0.3667000 1.271000 
1 1 1  -19   27    4 o   22.500   0.4097   21.840   0.5843   23.150   0.5745 -1.310000 0.8194000 
1 1 1  -19   27    5 o   10.180   0.8986   11.800   0.9870   8.5630   1.5020 3.237000 1.797000 
1 1 1  -19   27    6 o   5.8350   1.2690   4.9330   1.7840   6.7380   1.8060 -1.805000 2.539000 
1 1 1  -19   27    7 o   7.7960   1.2690   7.5740   1.7740   8.0190   1.8160 -0.4449000 2.539000 
1 1 1  -19   27    8 o   6.0120   1.3890   5.3860   1.9380   6.6380   1.9900 -1.253000 2.778000 
1 1 1  -19   27    9 o   5.8240   1.3820   6.4670   1.9220   5.1810   1.9880 1.286000 2.765000 
1 1 1  -19   27   10 o   11.670   0.9822   11.170   1.2590   12.180   1.5080 -1.009000 1.964000 
1 1 1  -19   27   11 o   6.2230   1.4660   7.5260   1.8800   4.9200   2.2490 2.605000 2.932000 
1 1 1  -19   27   12 o   7.0980   1.3920   6.7730   1.6840   7.4240   2.2160 -0.6518000 2.783000 
1 1 1  -19   27   13 o   3.8420   1.1980   4.2410   1.7290   3.4430   1.6590 0.7980000 2.396000 
1 1 1  -19   27   14 o   8.4650   1.2780   10.020   1.2390   6.9100   2.2370 3.109000 2.557000 
1 1 1  -19   27   15 o   5.0770   1.3400   5.4990   1.8520   4.6550   1.9370 0.8437000 2.681000 
1 1 1  -19   27   16 o   6.0480   1.2350   7.6050   1.6410   4.4910   1.8470 3.114000 2.470000 
1 1 1  -19   27   17 o   3.7310   1.1770   4.0000   1.7220   3.4620   1.6060 0.5375000 2.354000 
1 1 1  -19   27   18 o   4.9620   1.2880   3.8090   1.6860   6.1150   1.9470 -2.306000 2.576000 
1 1 1  -19   27   19 o   5.1930   1.3210   3.5570   1.6620   6.8290   2.0550 -3.273000 2.643000 
1 1 1  -19   27   20 o   6.4660   1.3640   4.7080   1.9290   8.2230   1.9290 -3.515000 2.728000 
1 1 1  -19   27   21 f   4.3920   1.3270   4.5620   1.9090   4.2220   1.8450 0.3397000 2.655000 
1 1 1  -19   27   22 o   2.9980   1.0400   3.2280   1.5740   2.7670   1.3600 0.4606000 2.080000 
1 1 1  -19   27   23 o   2.0180   0.7323   2.1620   1.1040   1.8730   0.9626 0.2890000 1.465000 
1 1 1  -19   27   24 o   1.8780   0.6918   1.8560   0.9666   1.9010   0.9900 -0.4524000E-01 1.384000 
1 1 1  -19   29    1 o   7.1490   1.2870   7.1960   1.6650   7.1020   1.9640 0.9384000E-01 2.574000 
1 1 1  -19   29    2 o   26.790   0.4328   27.050   0.5431   26.530   0.6740 0.5235000 0.8656000 
1 1 1  -19   29    3 o   9.1660   1.2440   9.6180   1.2720   8.7140   2.1380 0.9034000 2.487000 
1 1 1  -19   29    4 o   10.940   1.0540   11.860   1.0020   10.010   1.8540 1.849000 2.108000 
1 1 1  -19   29    5 o   8.1160   1.3090   9.6280   1.2900   6.6030   2.2790 3.025000 2.619000 
1 1 1  -19   29    6 o   22.360   0.5675   22.260   0.6224   22.450   0.9491 -0.1938000 1.135000 
1 1 1  -19   29    7 f   6.2530   1.4760   5.3580   1.8590   7.1470   2.2930 -1.788000 2.952000 
1 1 1  -19   29    8 o   6.4870   1.3300   7.4620   1.6860   5.5110   2.0580 1.952000 2.660000 
1 1 1  -19   29    9 o   7.8100   1.1710   9.2020   1.3810   6.4190   1.8910 2.783000 2.342000 
1 1 1  -19   29   10 o   6.2420   1.2660   7.3830   1.6770   5.1020   1.8970 2.281000 2.532000 
1 1 1  -19   29   11 o   8.6980   1.0690   8.3460   1.5270   9.0510   1.4970 -0.7047000 2.139000 
1 1 1  -19   29   12 o   4.3530   1.2370   5.1680   1.8730   3.5380   1.6180 1.630000 2.475000 
1 1 1  -19   29   13 o   7.7080   1.1800   6.7580   1.7970   8.6580   1.5300 -1.900000 2.361000 
1 1 1  -19   29   14 o   3.4660   1.1140   4.1390   1.7420   2.7920   1.3900 1.347000 2.228000 
1 1 1  -19   29   15 o   5.2850   1.4180   4.9420   1.9380   5.6290   2.0700 -0.6871000 2.835000 
1 1 1  -19   29   16 o   4.0510   1.2190   5.1910   1.9490   2.9120   1.4640 2.279000 2.438000 
1 1 1  -19   29   17 o   3.9850   1.2770   4.0620   1.8370   3.9070   1.7750 0.1545000 2.554000 
1 1 1  -19   29   18 f   4.3840   1.3030   4.8670   1.9230   3.9010   1.7580 0.9652000 2.606000 
1 1 1  -19   29   19 o   3.0820   1.0480   3.3820   1.5850   2.7820   1.3720 0.5999000 2.097000 
1 1 1  -19   29   20 o   2.4190   0.8553   2.3420   1.1760   2.4970   1.2430 -0.1550000 1.711000 
1 1 1  -19   29   21 o   2.0420   1.0620  ?   ?    2.0420   1.0620      ?      ? 
1 1 1  -19   31    1 o   11.000   0.8606   10.790   1.2140   11.210   1.2210 -0.4257000 1.721000 
1 1 1  -19   31    2 o   8.7410   1.0950   9.6190   1.3560   7.8630   1.7190 1.756000 2.189000 
1 1 1  -19   31    3 o   8.5500   1.1250   11.120   1.1580   5.9820   1.9280 5.136000 2.249000 
1 1 1  -19   31    4 o   13.080   0.9630   14.990   0.8636   11.170   1.7220 3.821000 1.926000 
1 1 1  -19   31    5 o   3.7130   1.1720   3.6090   1.6230   3.8160   1.6910 -0.2071000 2.344000 
1 1 1  -19   31    6 o   7.8620   1.1930   8.0470   1.6000   7.6770   1.7690 0.3698000 2.385000 
1 1 1  -19   31    7 o   7.1650   1.3530   8.3500   1.7190   5.9790   2.0900 2.371000 2.706000 
1 1 1  -19   31    8 o   6.5780   1.4030   7.4000   1.8870   5.7570   2.0760 1.643000 2.806000 
1 1 1  -19   31    9 o   5.9840   1.3460   4.3410   1.8380   7.6270   1.9660 -3.285000 2.691000 
1 1 1  -19   31   10 o   5.0720   1.3650   5.7680   1.9800   4.3750   1.8800 1.393000 2.730000 
1 1 1  -19   31   11 o   4.2660   1.2920   3.7260   1.6820   4.8070   1.9620 -1.081000 2.585000 
1 1 1  -19   31   12 o   4.8530   1.3780   5.0920   1.9620   4.6130   1.9350 0.4795000 2.756000 
1 1 1  -19   31   13 o   2.9120   1.0100   2.7420   1.3570   3.0820   1.4950 -0.3397000 2.019000 
1 1 1  -19   31   14 o   4.4380   1.3080   4.8340   1.8950   4.0430   1.8030 0.7906000 2.616000 
1 1 1  -19   31   15 o   2.1490   0.7747   2.3480   1.1850   1.9500   0.9987 0.3974000 1.549000 
1 1 1  -19   31   16 o   3.7880   1.1720   3.6230   1.6130   3.9530   1.7000 -0.3305000 2.343000 
1 1 1  -19   31   17 o   1.8340   0.9547  ?   ?    1.8340   0.9547      ?      ? 
1 1 1  -19   33    1 o   3.3650   1.1170   4.1000   1.8030   2.6300   1.3170 1.470000 2.233000 
1 1 1  -19   33    2 o   3.0330   1.0460   2.4030   1.2150   3.6630   1.7020 -1.260000 2.091000 
1 1 1  -19   33    3 o   4.5900   1.3570   4.4740   1.8860   4.7070   1.9520 -0.2324000 2.714000 
1 1 1  -19   33    4 o   3.9170   1.2400   3.4880   1.6330   4.3460   1.8660 -0.8583000 2.480000 
1 1 1  -19   33    5 o   3.4530   1.1450   3.8700   1.7470   3.0370   1.4810 0.8337000 2.290000 
1 1 1  -19   33    6 o   5.6440   1.4120   5.3550   1.9600   5.9340   2.0350 -0.5785000 2.825000 
1 1 1  -19   33    7 o   10.310   0.9872   9.3840   1.5920   11.240   1.1680 -1.861000 1.974000 
1 1 1  -19   33    8 o   2.9580   1.0020   3.1140   1.4670   2.8030   1.3640 0.3104000 2.003000 
1 1 1  -19   33    9 o   3.0130   0.9928   3.9350   1.6770   2.0920   1.0630 1.842000 1.986000 
1 1 1  -19   33   10 o   2.6290   0.9117   2.9610   1.4100   2.2970   1.1550 0.6646000 1.823000 
1 1 1  -19   33   11 f   2.1440   0.7755   2.1670   1.1130   2.1210   1.0800 0.4528000E-01 1.551000 
1 1 1  -18    0    1 o   9.5330   0.3680   9.5330   0.3680   9.5330   0.3680 0.000000 0.000000 
1 1 1  -18    0    2 o   49.310   0.5134   49.310   0.5134   49.310   0.5134 0.000000 0.000000 
1 1 1  -18    0    3 o   63.230   0.5661   63.230   0.5661   63.230   0.5661 -0.000000 0.000000 
1 1 1  -18    0    4 o   38.740   0.3557   38.740   0.3557   38.740   0.3557 0.000000 0.000000 
1 1 1  -18    0    5 o   17.930   0.2684   17.930   0.2684   17.930   0.2684 -0.000000 0.000000 
1 1 1  -18    0    6 o   40.630   0.5322   40.630   0.5322   40.630   0.5322 0.000000 0.000000 
1 1 1  -18    0    7 o   55.130   0.4982   55.130   0.4982   55.130   0.4982 -0.000000 0.000000 
1 1 1  -18    0    8 o   1.8720   1.0900   1.8720   1.0900   1.8720   1.0900 0.000000 0.000000 
1 1 1  -18    0    9 o   21.950   0.2746   21.950   0.2746   21.950   0.2746 0.000000 0.000000 
1 1 1  -18    0   10 o   1.3130   0.9078   1.3130   0.9078   1.3130   0.9078 -0.000000 0.000000 
1 1 1  -18    0   11 o  101.700   1.2860  101.700   1.2860  101.700   1.2860 0.000000 0.000000 
1 1 1  -18    0   12 o   31.320   0.4785   31.320   0.4785   31.320   0.4785 0.000000 0.000000 
1 1 1  -18    0   13 o   22.550   0.3233   22.550   0.3233   22.550   0.3233 -0.000000 0.000000 
1 1 1  -18    0   14 o   14.970   0.4177   14.970   0.4177   14.970   0.4177 -0.000000 0.000000 
1 1 1  -18    0   15 o   34.330   0.3761   34.330   0.3761   34.330   0.3761 0.000000 0.000000 
1 1 1  -18    0   16 o   89.280   0.8049   89.280   0.8049   89.280   0.8049 0.000000 0.000000 
1 1 1  -18    0   17 o   59.250   0.5571   59.250   0.5571   59.250   0.5571 -0.000000 0.000000 
1 1 1  -18    0   18 o   9.3470   0.9526   9.3470   0.9526   9.3470   0.9526 0.000000 0.000000 
1 1 1  -18    0   19 f   54.200   0.5284   54.200   0.5284   54.200   0.5284 0.000000 0.000000 
1 1 1  -18    0   20 o   2.3720   1.6290   2.3720   1.6290   2.3720   1.6290 0.000000 0.000000 
1 1 1  -18    0   21 o   3.5810   2.1280   3.5810   2.1280   3.5810   2.1280 -0.000000 0.000000 
1 1 1  -18    0   22 o   8.0300   1.3070   8.0300   1.3070   8.0300   1.3070 -0.000000 0.000000 
1 1 1  -18    0   23 o   22.590   0.4898   22.590   0.4898   22.590   0.4898 0.000000 0.000000 
1 1 1  -18    0   24 o   33.910   0.4344   33.910   0.4344   33.910   0.4344 0.000000 0.000000 
1 1 1  -18    0   25 o   11.490   1.3250   11.490   1.3250   11.490   1.3250 -0.000000 0.000000 
1 1 1  -18    0   26 o   20.480   0.5079   20.480   0.5079   20.480   0.5079 0.000000 0.000000 
1 1 1  -18    0   27 o   3.3600   1.8600   3.3600   1.8600   3.3600   1.8600 0.000000 0.000000 
1 1 1  -18    0   28 o   17.610   0.5599   17.610   0.5599   17.610   0.5599 0.000000 0.000000 
1 1 1  -18    0   29 o   16.450   0.6213   16.450   0.6213   16.450   0.6213 0.000000 0.000000 
1 1 1  -18    0   30 o   33.100   0.4629   33.100   0.4629   33.100   0.4629 0.000000 0.000000 
1 1 1  -18    0   31 o   4.9380   2.1060   4.9380   2.1060   4.9380   2.1060 -0.000000 0.000000 
1 1 1  -18    0   32 o   6.3030   1.9260   6.3030   1.9260   6.3030   1.9260 0.000000 0.000000 
1 1 1  -18    0   33 o   9.2730   1.8950   9.2730   1.8950   9.2730   1.8950 -0.000000 0.000000 
1 1 1  -18    0   34 o   6.2430   2.2020   6.2430   2.2020   6.2430   2.2020 -0.000000 0.000000 
1 1 1  -18    0   35 o   4.0450   2.2090   4.0450   2.2090   4.0450   2.2090 -0.000000 0.000000 
1 1 1  -18    0   36 o   6.7240   2.1550   6.7240   2.1550   6.7240   2.1550 0.000000 0.000000 
1 1 1  -18    0   37 o   2.8100   1.9510   2.8100   1.9510   2.8100   1.9510 0.000000 0.000000 
1 1 1  -18    0   38 o   2.1190   1.5200   2.1190   1.5200   2.1190   1.5200 0.000000 0.000000 
1 1 1  -18    2    1 o   32.780   0.2815   32.320   0.4348   33.240   0.3577 -0.9222000 0.5630000 
1 1 1  -18    2    2 o   60.040   0.7664   59.640   1.0770   60.440   1.0910 -0.7963000 1.533000 
1 1 1  -18    2    3 f   35.210   0.4817   34.650   0.6731   35.770   0.6893 -1.120000 0.9634000 
1 1 1  -18    2    4 o   86.550   0.6307   86.530   0.8914   86.560   0.8923 -0.2641000E-01 1.261000 
1 1 1  -18    2    5 o   36.830   0.2433   37.000   0.3456   36.660   0.3424 0.3344000 0.4865000 
1 1 1  -18    2    6 o   35.010   0.2548   35.320   0.3358   34.690   0.3832 0.6277000 0.5095000 
1 1 1  -18    2    7 o   28.270   0.2387   28.110   0.3348   28.420   0.3403 -0.3038000 0.4774000 
1 1 1  -18    2    8 o   38.170   0.2563   37.780   0.3593   38.550   0.3657 -0.7688000 0.5126000 
1 1 1  -18    2    9 o   22.330   0.1977   22.280   0.2807   22.380   0.2785 -0.9749000E-01 0.3954000 
1 1 1  -18    2   10 o   60.540   0.3891   60.050   0.5459   61.030   0.5547 -0.9811000 0.7783000 
1 1 1  -18    2   11 o   55.720   0.4170   55.420   0.5871   56.020   0.5923 -0.6006000 0.8340000 
1 1 1  -18    2   12 o   33.740   0.2888   34.130   0.4106   33.360   0.4063 0.7684000 0.5776000 
1 1 1  -18    2   13 o   21.770   0.2362   21.890   0.3314   21.650   0.3366 0.2309000 0.4723000 
1 1 1  -18    2   14 o   31.680   0.2508   31.700   0.3527   31.660   0.3567 0.3873000E-01 0.5016000 
1 1 1  -18    2   15 f   9.7790   0.4727   9.5080   0.6877   10.050   0.6488 -0.5426000 0.9454000 
1 1 1  -18    2   16 o   85.190   0.5444   85.110   0.7692   85.270   0.7706 -0.1567000 1.089000 
1 1 1  -18    2   17 o   31.440   0.2838   31.460   0.4061   31.420   0.3967 0.4768000E-01 0.5677000 
1 1 1  -18    2   18 o  110.700   0.7042  111.100   0.9991  110.400   0.9926 0.7141000 1.408000 
1 1 1  -18    2   19 o   26.090   0.3207   26.090   0.4474   26.100   0.4595 -0.1726000E-01 0.6414000 
1 1 1  -18    2   20 o   8.9510   0.9427   9.9750   1.1690   7.9270   1.4790 2.048000 1.885000 
1 1 1  -18    2   21 o   22.790   0.4086   23.280   0.5427   22.310   0.6108 0.9673000 0.8171000 
1 1 1  -18    2   22 o   14.400   0.5053   14.340   0.7028   14.450   0.7263 -0.1090000 1.011000 
1 1 1  -18    2   23 o   37.800   0.3205   37.840   0.4526   37.770   0.4538 0.6921000E-01 0.6409000 
1 1 1  -18    2   24 o   38.520   0.3196   38.440   0.4506   38.600   0.4533 -0.1570000 0.6392000 
1 1 1  -18    2   25 f   13.820   0.7443   13.220   1.1000   14.410   1.0020 -1.194000 1.489000 
1 1 1  -18    2   26 o   19.640   0.4316   19.950   0.6195   19.330   0.6012 0.6159000 0.8632000 
1 1 1  -18    2   27 o   36.720   0.3189   36.630   0.4523   36.800   0.4497 -0.1691000 0.6378000 
1 1 1  -18    2   28 o   13.020   0.5222   13.160   0.7205   12.880   0.7561 0.2748000 1.044000 
1 1 1  -18    2   29 o   17.360   0.4161   17.460   0.5732   17.260   0.6033 0.1930000 0.8322000 
1 1 1  -18    2   30 o   24.650   0.3509   24.370   0.4890   24.920   0.5036 -0.5509000 0.7019000 
1 1 1  -18    2   31 o   15.660   0.4938   16.320   0.6613   15.000   0.7335 1.320000 0.9876000 
1 1 1  -18    2   32 f   8.6280   0.9416   7.9690   1.4460   9.2860   1.2060 -1.317000 1.883000 
1 1 1  -18    2   33 o   13.130   0.9144   14.490   1.1750   11.770   1.4010 2.722000 1.829000 
1 1 1  -18    2   34 o   6.5490   1.3210   6.1890   1.8480   6.9080   1.8870 -0.7184000 2.641000 
1 1 1  -18    2   35 o   5.0760   1.3270   4.2220   1.7660   5.9300   1.9800 -1.708000 2.653000 
1 1 1  -18    2   36 f   7.5700   1.2780   6.6140   1.9060   8.5260   1.7040 -1.912000 2.556000 
1 1 1  -18    2   37 o   2.8330   1.0250   3.0410   1.5530   2.6250   1.3380 0.4164000 2.050000 
1 1 1  -18    2   38 o   2.4070   1.2430  ?   ?    2.4070   1.2430      ?      ? 
1 1 1  -18    4    1 o   30.870   0.2627   30.500   0.4258   31.230   0.3077 -0.7317000 0.5253000 
1 1 1  -18    4    2 o   28.640   0.2431   28.700   0.3441   28.580   0.3435 0.1196000 0.4862000 
1 1 1  -18    4    3 o   31.780   0.2402   31.790   0.3653   31.770   0.3120 0.1877000E-01 0.4804000 
1 1 1  -18    4    4 o   60.450   0.3857   60.390   0.5448   60.520   0.5462 -0.1377000 0.7715000 
1 1 1  -18    4    5 o   24.580   0.1960   25.020   0.2791   24.140   0.2753 0.8826000 0.3920000 
1 1 1  -18    4    6 o   41.540   0.3203   41.550   0.4516   41.520   0.4543 0.2571000E-01 0.6406000 
1 1 1  -18    4    7 o   51.920   0.3903   52.090   0.5528   51.750   0.5510 0.3388000 0.7805000 
1 1 1  -18    4    8 o   21.350   0.2056   21.360   0.2867   21.340   0.2948 0.2057000E-01 0.4112000 
1 1 1  -18    4    9 o   32.950   0.2733   32.990   0.3853   32.920   0.3877 0.7011000E-01 0.5466000 
1 1 1  -18    4   10 o   22.700   0.2486   22.490   0.3496   22.900   0.3537 -0.4103000 0.4973000 
1 1 1  -18    4   11 o   27.660   0.2319   27.860   0.3291   27.460   0.3269 0.3995000 0.4639000 
1 1 1  -18    4   12 o   50.980   0.3916   50.770   0.5527   51.190   0.5549 -0.4198000 0.7832000 
1 1 1  -18    4   13 o   35.890   0.2670   35.960   0.3769   35.820   0.3784 0.1395000 0.5341000 
1 1 1  -18    4   14 o   69.560   0.4488   69.400   0.6333   69.710   0.6360 -0.3156000 0.8975000 
1 1 1  -18    4   15 o   62.030   0.4064   62.080   0.5752   61.980   0.5744 0.9725000E-01 0.8129000 
1 1 1  -18    4   16 o   42.760   0.3112   42.780   0.4398   42.740   0.4404 0.4465000E-01 0.6224000 
1 1 1  -18    4   17 o   87.990   0.5641   87.850   0.7966   88.130   0.7989 -0.2771000 1.128000 
1 1 1  -18    4   18 o   41.640   0.3210   41.480   0.4499   41.790   0.4581 -0.3051000 0.6421000 
1 1 1  -18    4   19 o   40.500   0.3740   40.250   0.5346   40.760   0.5233 -0.5132000 0.7481000 
1 1 1  -18    4   20 o   46.450   0.4042   46.430   0.5717   46.480   0.5715 -0.4337000E-01 0.8084000 
1 1 1  -18    4   21 o   24.720   0.3791   24.480   0.5171   24.950   0.5545 -0.4730000 0.7582000 
1 1 1  -18    4   22 o   25.540   0.3297   25.190   0.4630   25.880   0.4695 -0.6929000 0.6594000 
1 1 1  -18    4   23 o   23.760   0.3435   23.250   0.4859   24.260   0.4857 -1.009000 0.6870000 
1 1 1  -18    4   24 o   14.340   0.5709   13.360   0.8245   15.320   0.7899 -1.963000 1.142000 
1 1 1  -18    4   25 o   20.930   0.5245   20.450   0.7572   21.410   0.7260 -0.9594000 1.049000 
1 1 1  -18    4   26 o   8.7080   0.8897   8.8780   1.2920   8.5380   1.2240 0.3405000 1.779000 
1 1 1  -18    4   27 o   12.610   0.5296   12.110   0.7787   13.110   0.7179 -1.001000 1.059000 
1 1 1  -18    4   28 o   30.600   0.3193   30.750   0.4519   30.440   0.4511 0.3075000 0.6385000 
1 1 1  -18    4   29 o   27.410   0.3312   27.380   0.4706   27.450   0.4661 -0.6621000E-01 0.6623000 
1 1 1  -18    4   30 o   36.330   0.3312   36.860   0.4675   35.800   0.4694 1.065000 0.6624000 
1 1 1  -18    4   31 o   5.9540   1.1400   4.6150   1.6930   7.2940   1.5280 -2.679000 2.281000 
1 1 1  -18    4   32 o   5.2060   1.3160   6.1980   1.9550   4.2130   1.7610 1.985000 2.631000 
1 1 1  -18    4   33 o   5.4830   1.4250   5.7570   1.9630   5.2100   2.0670 0.5461000 2.851000 
1 1 1  -18    4   34 o   11.460   1.0360   10.420   1.7760   12.500   1.0670 -2.078000 2.072000 
1 1 1  -18    4   35 o   7.0630   1.4980   7.5200   2.2890   6.6060   1.9320 0.9141000 2.995000 
1 1 1  -18    4   36 o   5.6120   1.6120   5.3620   2.4210   5.8620   2.1300 -0.4994000 3.224000 
1 1 1  -18    4   37 o   3.9310   1.3120   3.6260   1.7540   4.2350   1.9500 -0.6091000 2.623000 
1 1 1  -18    6    1 o   47.440   0.3117   47.000   0.4373   47.870   0.4444 -0.8768000 0.6234000 
1 1 1  -18    6    2 o   39.330   0.2677   39.040   0.3757   39.630   0.3815 -0.5886000 0.5355000 
1 1 1  -18    6    3 f   47.210   0.3112   46.950   0.4375   47.470   0.4427 -0.5173000 0.6224000 
1 1 1  -18    6    4 f   21.040   0.2572   20.830   0.3620   21.260   0.3656 -0.4325000 0.5145000 
1 1 1  -18    6    5 f   70.010   0.5181   69.980   0.7314   70.040   0.7339 -0.6306000E-01 1.036000 
1 1 1  -18    6    6 o   20.060   0.3044   20.220   0.4217   19.890   0.4391 0.3310000 0.6088000 
1 1 1  -18    6    7 o   9.7260   0.4177   9.4090   0.6015   10.040   0.5797 -0.6357000 0.8354000 
1 1 1  -18    6    8 o   29.430   0.2385   29.410   0.3364   29.460   0.3383 -0.5675000E-01 0.4771000 
1 1 1  -18    6    9 o   11.300   0.3882   10.140   0.6196   12.450   0.4680 -2.308000 0.7765000 
1 1 1  -18    6   10 o   61.130   0.3972   60.710   0.5577   61.540   0.5657 -0.8286000 0.7944000 
1 1 1  -18    6   11 o   88.260   0.6499   88.240   0.9190   88.280   0.9191 -0.3275000E-01 1.300000 
1 1 1  -18    6   12 f   37.150   0.3216   37.230   0.4552   37.070   0.4542 0.1629000 0.6431000 
1 1 1  -18    6   13 f   98.820   0.6280   98.620   0.8863   99.030   0.8900 -0.4052000 1.256000 
1 1 1  -18    6   14 f   80.190   0.5147   80.250   0.7285   80.120   0.7274 0.1278000 1.029000 
1 1 1  -18    6   15 o   49.580   0.3445   49.490   0.4866   49.660   0.4877 -0.1656000 0.6889000 
1 1 1  -18    6   16 o   60.750   0.4062   60.740   0.5739   60.760   0.5750 -0.1416000E-01 0.8124000 
1 1 1  -18    6   17 o   27.470   0.3143   27.910   0.4347   27.020   0.4541 0.8877000 0.6286000 
1 1 1  -18    6   18 o   41.760   0.3784   42.100   0.5396   41.430   0.5307 0.6712000 0.7569000 
1 1 1  -18    6   19 o   3.0240   1.0100   2.7740   1.3470   3.2740   1.5060 -0.5003000 2.020000 
1 1 1  -18    6   20 o   26.660   0.3717   26.690   0.5138   26.630   0.5372 0.5361000E-01 0.7433000 
1 1 1  -18    6   21 o   39.500   0.3673   39.760   0.5098   39.240   0.5289 0.5218000 0.7346000 
1 1 1  -18    6   22 o   24.510   0.3393   24.280   0.4818   24.730   0.4779 -0.4529000 0.6786000 
1 1 1  -18    6   23 o   7.7500   0.9577   9.6170   1.0350   5.8830   1.6120 3.735000 1.915000 
1 1 1  -18    6   24 o   14.500   0.5540   13.490   0.7947   15.520   0.7719 -2.027000 1.108000 
1 1 1  -18    6   25 f   7.6690   1.0140   7.6450   1.4900   7.6920   1.3770 -0.4740000E-01 2.029000 
1 1 1  -18    6   26 o   4.0800   1.0960   3.4560   1.4580   4.7040   1.6370 -1.248000 2.192000 
1 1 1  -18    6   27 o   10.970   0.6090   11.110   0.8282   10.820   0.8932 0.2959000 1.218000 
1 1 1  -18    6   28 o   9.2710   0.7697   9.5990   1.0010   8.9430   1.1690 0.6566000 1.539000 
1 1 1  -18    6   29 o   19.620   0.4157   19.570   0.6055   19.680   0.5697 -0.1038000 0.8314000 
1 1 1  -18    6   30 o   3.7770   1.1750   4.3530   1.8370   3.2010   1.4640 1.152000 2.349000 
1 1 1  -18    6   31 o   3.9240   1.2200   4.6140   1.9350   3.2340   1.4860 1.380000 2.440000 
1 1 1  -18    6   32 o   5.4610   1.4960   4.8910   2.2510   6.0310   1.9700 -1.140000 2.991000 
1 1 1  -18    6   33 o   5.1410   1.3630   3.9090   1.8220   6.3730   2.0270 -2.464000 2.725000 
1 1 1  -18    6   34 o   6.3040   1.2600   7.8380   1.6470   4.7710   1.9070 3.066000 2.519000 
1 1 1  -18    6   35 o   7.6970   1.1910   9.9870   1.3450   5.4060   1.9670 4.581000 2.383000 
1 1 1  -18    6   36 o   2.9590   1.0270   3.0970   1.5040   2.8200   1.3990 0.2772000 2.054000 
1 1 1  -18    6   37 o   2.9940   1.0360   2.7120   1.3550   3.2760   1.5680 -0.5644000 2.072000 
1 1 1  -18    8    1 o   69.010   0.4428   69.250   0.6282   68.780   0.6243 0.4743000 0.8857000 
1 1 1  -18    8    2 o   50.250   0.3328   50.270   0.4705   50.230   0.4710 0.3596000E-01 0.6657000 
1 1 1  -18    8    3 f   35.620   0.2600   35.550   0.3669   35.680   0.3685 -0.1366000 0.5200000 
1 1 1  -18    8    4 o   20.440   0.2466   20.320   0.3453   20.550   0.3522 -0.2345000 0.4932000 
1 1 1  -18    8    5 o   60.970   0.3958   60.960   0.5592   60.980   0.5602 -0.1548000E-01 0.7915000 
1 1 1  -18    8    6 o   26.290   0.2456   26.270   0.3488   26.310   0.3459 -0.4091000E-01 0.4912000 
1 1 1  -18    8    7 o   27.340   0.2504   27.330   0.3521   27.340   0.3560 -0.1854000E-02 0.5007000 
1 1 1  -18    8    8 o   37.570   0.2784   37.520   0.3924   37.630   0.3951 -0.1090000 0.5569000 
1 1 1  -18    8    9 o   69.650   0.4498   69.440   0.6341   69.860   0.6382 -0.4205000 0.8996000 
1 1 1  -18    8   10 o   14.030   0.4299   13.410   0.6268   14.660   0.5886 -1.249000 0.8599000 
1 1 1  -18    8   11 o   40.120   0.3435   40.140   0.4844   40.110   0.4871 0.2975000E-01 0.6870000 
1 1 1  -18    8   12 o   94.890   0.6046   94.700   0.8530   95.080   0.8569 -0.3889000 1.209000 
1 1 1  -18    8   13 o   94.820   0.6052   94.670   0.8541   94.970   0.8576 -0.3006000 1.210000 
1 1 1  -18    8   14 o   26.610   0.2961   26.470   0.4141   26.750   0.4233 -0.2736000 0.5921000 
1 1 1  -18    8   15 o   69.030   0.4537   69.300   0.6433   68.760   0.6401 0.5473000 0.9075000 
1 1 1  -18    8   16 f   43.990   0.3333   43.960   0.4691   44.030   0.4736 -0.6844000E-01 0.6665000 
1 1 1  -18    8   17 o   33.260   0.3719   33.500   0.5242   33.010   0.5277 0.4943000 0.7439000 
1 1 1  -18    8   18 f   56.680   0.3938   56.440   0.5542   56.920   0.5596 -0.4725000 0.7876000 
1 1 1  -18    8   19 o   56.700   0.3958   56.430   0.5562   56.970   0.5632 -0.5457000 0.7915000 
1 1 1  -18    8   20 o   12.000   0.6878   12.220   0.9148   11.780   1.0270 0.4317000 1.376000 
1 1 1  -18    8   21 f   35.260   0.3222   35.290   0.4528   35.230   0.4585 0.5702000E-01 0.6444000 
1 1 1  -18    8   22 o   12.340   0.6063   11.420   0.8951   13.260   0.8181 -1.837000 1.213000 
1 1 1  -18    8   23 o   30.810   0.3721   30.520   0.5067   31.110   0.5450 -0.5905000 0.7442000 
1 1 1  -18    8   24 o   20.530   0.3741   20.310   0.5285   20.750   0.5297 -0.4331000 0.7483000 
1 1 1  -18    8   25 o   19.040   0.4772   19.520   0.7100   18.560   0.6377 0.9568000 0.9544000 
1 1 1  -18    8   26 o   12.110   0.6680   12.970   1.0060   11.250   0.8794 1.722000 1.336000 
1 1 1  -18    8   27 o   11.470   0.6844   11.580   1.0520   11.360   0.8753 0.2184000 1.369000 
1 1 1  -18    8   28 o   15.660   0.5512   15.080   0.8962   16.240   0.6419 -1.157000 1.102000 
1 1 1  -18    8   29 o   10.450   0.7720   10.640   1.1580   10.260   1.0210 0.3800000 1.544000 
1 1 1  -18    8   30 o   10.210   0.7581   10.260   1.0620   10.160   1.0820 0.1023000 1.516000 
1 1 1  -18    8   31 o   14.590   0.6944   16.070   0.9230   13.110   1.0380 2.963000 1.389000 
1 1 1  -18    8   32 o   17.700   0.5261   17.160   0.7465   18.230   0.7414 -1.070000 1.052000 
1 1 1  -18    8   33 o   6.4640   1.4240   6.7030   1.9190   6.2250   2.1040 0.4778000 2.848000 
1 1 1  -18    8   34 o   11.490   0.8146   11.260   1.0990   11.730   1.2020 -0.4647000 1.629000 
1 1 1  -18    8   35 o   6.4690   1.4650   5.8440   2.0590   7.0940   2.0850 -1.250000 2.930000 
1 1 1  -18    8   36 o   3.2600   1.0710   4.1340   1.7740   2.3860   1.2020 1.748000 2.143000 
1 1 1  -18    8   37 o   2.8990   1.0270   2.7970   1.4110   3.0010   1.4930 -0.2037000 2.054000 
1 1 1  -18   10    1 o   52.570   0.3801   53.290   0.5817   51.850   0.4894 1.437000 0.7602000 
1 1 1  -18   10    2 o   67.830   0.4378   68.500   0.6247   67.160   0.6135 1.341000 0.8756000 
1 1 1  -18   10    3 o   22.920   0.2599   23.100   0.3680   22.740   0.3670 0.3565000 0.5197000 
1 1 1  -18   10    4 o   60.170   0.3938   60.000   0.5553   60.350   0.5587 -0.3507000 0.7877000 
1 1 1  -18   10    5 o   19.310   0.2946   19.690   0.4099   18.930   0.4232 0.7619000 0.5892000 
1 1 1  -18   10    6 o   42.250   0.3033   41.550   0.4226   42.950   0.4353 -1.391000 0.6067000 
1 1 1  -18   10    7 o   46.200   0.3230   46.210   0.4568   46.180   0.4569 0.3240000E-01 0.6461000 
1 1 1  -18   10    8 o   66.950   0.5058   67.520   0.7212   66.370   0.7095 1.147000 1.012000 
1 1 1  -18   10    9 o   51.390   0.4103   51.020   0.5772   51.760   0.5832 -0.7405000 0.8206000 
1 1 1  -18   10   10 o   49.760   0.3473   49.550   0.4878   49.980   0.4946 -0.4325000 0.6947000 
1 1 1  -18   10   11 o   54.000   0.3692   54.020   0.5211   53.970   0.5233 0.5011000E-01 0.7384000 
1 1 1  -18   10   12 o   37.540   0.3061   37.460   0.4313   37.620   0.4345 -0.1635000 0.6122000 
1 1 1  -18   10   13 o   75.040   0.4895   74.790   0.6896   75.290   0.6949 -0.5030000 0.9790000 
1 1 1  -18   10   14 o   39.300   0.3234   39.020   0.4542   39.580   0.4606 -0.5589000 0.6469000 
1 1 1  -18   10   15 o   44.780   0.3996   44.980   0.5654   44.570   0.5647 0.4126000 0.7991000 
1 1 1  -18   10   16 o   26.750   0.4017   27.430   0.5593   26.070   0.5766 1.365000 0.8033000 
1 1 1  -18   10   17 o   67.590   0.4526   67.390   0.6377   67.790   0.6426 -0.4045000 0.9053000 
1 1 1  -18   10   18 o   14.830   0.5282   14.430   0.7460   15.240   0.7480 -0.8101000 1.056000 
1 1 1  -18   10   19 o   15.910   0.5498   15.930   0.7349   15.880   0.8180 0.4165000E-01 1.100000 
1 1 1  -18   10   20 o   4.0520   1.2160   4.3590   1.8140   3.7450   1.6200 0.6133000 2.432000 
1 1 1  -18   10   21 o   22.080   0.5611   22.190   0.9200   21.960   0.6425 0.2271000 1.122000 
1 1 1  -18   10   22 f   6.8580   1.3770   8.2180   2.0420   5.4990   1.8490 2.719000 2.755000 
1 1 1  -18   10   23 o   11.940   0.6854   11.380   1.1060   12.500   0.8096 -1.124000 1.371000 
1 1 1  -18   10   24 o   23.960   0.4243   24.020   0.6398   23.910   0.5575 0.1115000 0.8486000 
1 1 1  -18   10   25 o   14.690   0.5643   14.410   0.8286   14.980   0.7662 -0.5740000 1.129000 
1 1 1  -18   10   26 o   7.5650   0.9284   8.6000   1.1030   6.5290   1.4940 2.071000 1.857000 
1 1 1  -18   10   27 o   14.370   0.4890   14.400   0.6781   14.330   0.7047 0.7475000E-01 0.9780000 
1 1 1  -18   10   28 o   16.550   0.4532   16.930   0.6149   16.170   0.6660 0.7573000 0.9065000 
1 1 1  -18   10   29 o   12.370   0.6292   12.400   0.8813   12.340   0.8982 0.5541000E-01 1.258000 
1 1 1  -18   10   30 o   6.1300   1.3080   5.0730   1.8960   7.1860   1.8010 -2.113000 2.615000 
1 1 1  -18   10   31 o   13.670   0.6341   13.030   0.9211   14.320   0.8717 -1.298000 1.268000 
1 1 1  -18   10   32 o   7.3510   1.2230   9.6030   1.4010   5.0980   2.0040 4.505000 2.445000 
1 1 1  -18   10   33 f   7.0100   1.3470   7.0740   1.8460   6.9470   1.9630 0.1273000 2.695000 
1 1 1  -18   10   34 o   12.970   0.7423   12.150   1.0650   13.780   1.0340 -1.624000 1.485000 
1 1 1  -18   10   35 o   4.4580   1.3080   5.3160   1.9920   3.5990   1.6950 1.718000 2.616000 
1 1 1  -18   10   36 o   3.0920   1.0610   2.7280   1.3600   3.4560   1.6290 -0.7278000 2.122000 
1 1 1  -18   12    1 o   20.120   0.3592   19.460   0.5164   20.780   0.4995 -1.317000 0.7185000 
1 1 1  -18   12    2 o   19.370   0.3982   18.980   0.6014   19.750   0.5220 -0.7686000 0.7964000 
1 1 1  -18   12    3 o   56.400   0.4369   56.330   0.6159   56.470   0.6200 -0.1350000 0.8739000 
1 1 1  -18   12    4 o   51.730   0.4583   53.550   0.7214   49.910   0.5655 3.645000 0.9166000 
1 1 1  -18   12    5 o   44.370   0.3714   44.840   0.5267   43.910   0.5237 0.9280000 0.7428000 
1 1 1  -18   12    6 o   54.880   0.4313   54.470   0.6046   55.300   0.6154 -0.8284000 0.8627000 
1 1 1  -18   12    7 f   59.140   0.3965   58.780   0.5555   59.490   0.5659 -0.7025000 0.7930000 
1 1 1  -18   12    8 o   12.300   0.5352   12.690   0.7192   11.920   0.7929 0.7701000 1.070000 
1 1 1  -18   12    9 o   46.940   0.3425   46.880   0.4831   46.990   0.4855 -0.1068000 0.6849000 
1 1 1  -18   12   10 o   79.280   0.5151   79.110   0.7261   79.450   0.7308 -0.3403000 1.030000 
1 1 1  -18   12   11 o   70.400   0.4649   70.300   0.6557   70.500   0.6594 -0.1966000 0.9299000 
1 1 1  -18   12   12 o   76.450   0.5800   76.250   0.8177   76.660   0.8228 -0.4185000 1.160000 
1 1 1  -18   12   13 o   42.860   0.4006   42.920   0.5693   42.800   0.5638 0.1211000 0.8013000 
1 1 1  -18   12   14 o   22.000   0.7093   23.090   1.1120   20.920   0.8810 2.165000 1.419000 
1 1 1  -18   12   15 o   39.310   0.4116   38.720   0.6643   39.890   0.4861 -1.169000 0.8232000 
1 1 1  -18   12   16 o   55.740   0.4855   56.260   0.7928   55.230   0.5605 1.036000 0.9710000 
1 1 1  -18   12   17 o   25.070   0.4419   24.880   0.7009   25.270   0.5383 -0.3903000 0.8837000 
1 1 1  -18   12   18 o   30.020   0.4237   29.760   0.6409   30.280   0.5544 -0.5142000 0.8474000 
1 1 1  -18   12   19 o   15.170   0.6180   15.200   0.9500   15.140   0.7907 0.6101000E-01 1.236000 
1 1 1  -18   12   20 o   22.940   0.4478   22.700   0.6012   23.180   0.6640 -0.4872000 0.8957000 
1 1 1  -18   12   21 o   21.690   0.3804   21.610   0.5244   21.760   0.5512 -0.1501000 0.7608000 
1 1 1  -18   12   22 o   13.250   0.5504   13.760   0.7395   12.750   0.8155 1.009000 1.101000 
1 1 1  -18   12   23 o   9.5990   0.8423   9.8200   1.1610   9.3790   1.2210 0.4410000 1.685000 
1 1 1  -18   12   24 o   28.100   0.4335   26.750   0.5569   29.440   0.6645 -2.695000 0.8671000 
1 1 1  -18   12   25 o   8.6050   0.8223   7.7720   1.2590   9.4390   1.0590 -1.667000 1.645000 
1 1 1  -18   12   26 o   12.530   0.5656   11.740   0.8249   13.320   0.7742 -1.578000 1.131000 
1 1 1  -18   12   27 o   14.730   0.5175   14.600   0.7116   14.860   0.7515 -0.2607000 1.035000 
1 1 1  -18   12   28 o   6.3950   1.1610   6.2130   1.6170   6.5770   1.6680 -0.3637000 2.323000 
1 1 1  -18   12   29 o   6.0530   1.2970   7.2920   1.7680   4.8140   1.8980 2.478000 2.594000 
1 1 1  -18   12   30 o   13.920   0.6358   13.890   0.8420   13.960   0.9530 -0.7027000E-01 1.272000 
1 1 1  -18   12   31 o   10.090   0.9854   11.770   1.0290   8.4210   1.6810 3.347000 1.971000 
1 1 1  -18   12   32 o   3.9410   1.2380   4.2800   1.8040   3.6010   1.6960 0.6791000 2.476000 
1 1 1  -18   12   33 o   8.1840   1.2620   9.2470   1.6340   7.1220   1.9230 2.125000 2.524000 
1 1 1  -18   12   34 o   4.0710   1.2820   4.1560   1.8230   3.9860   1.8040 0.1698000 2.565000 
1 1 1  -18   12   35 o   3.0080   1.0120   3.5480   1.6030   2.4680   1.2340 1.080000 2.023000 
1 1 1  -18   14    1 o   40.430   0.3615   40.430   0.5091   40.420   0.5135 0.1280000E-01 0.7231000 
1 1 1  -18   14    2 o   18.590   0.3741   18.710   0.5200   18.470   0.5378 0.2432000 0.7481000 
1 1 1  -18   14    3 o   66.490   0.4391   66.160   0.6181   66.830   0.6239 -0.6725000 0.8782000 
1 1 1  -18   14    4 o   20.650   0.3525   20.040   0.5059   21.270   0.4909 -1.236000 0.7049000 
1 1 1  -18   14    5 f   48.910   0.3795   49.520   0.5733   48.310   0.4975 1.210000 0.7590000 
1 1 1  -18   14    6 o   40.330   0.3242   39.610   0.4506   41.040   0.4663 -1.430000 0.6485000 
1 1 1  -18   14    7 o   34.170   0.3185   33.290   0.4424   35.060   0.4584 -1.765000 0.6370000 
1 1 1  -18   14    8 o   25.170   0.5588   25.550   0.9838   24.790   0.5303 0.7584000 1.118000 
1 1 1  -18   14    9 f   49.860   0.6367   49.340   1.0230   50.390   0.7580 -1.052000 1.273000 
1 1 1  -18   14   10 o   34.220   0.5583   34.160   0.9651   34.270   0.5616 -0.1133000 1.117000 
1 1 1  -18   14   11 o   78.320   0.8503   78.560   1.4790   78.080   0.8401 0.4789000 1.701000 
1 1 1  -18   14   12 o   44.190   0.4339   43.980   0.7044   44.400   0.5070 -0.4210000 0.8679000 
1 1 1  -18   14   13 o   20.340   0.5450   19.220   0.9050   21.470   0.6076 -2.250000 1.090000 
1 1 1  -18   14   14 o   32.160   0.3570   32.170   0.5036   32.150   0.5063 0.1740000E-01 0.7140000 
1 1 1  -18   14   15 o   22.820   0.4142   23.210   0.5613   22.440   0.6091 0.7721000 0.8283000 
1 1 1  -18   14   16 o   46.990   0.4135   47.210   0.5826   46.770   0.5869 0.4407000 0.8270000 
1 1 1  -18   14   17 o   16.950   0.5549   16.530   0.7584   17.370   0.8102 -0.8364000 1.110000 
1 1 1  -18   14   18 o   8.9180   1.0890   10.150   1.1460   7.6870   1.8530 2.461000 2.179000 
1 1 1  -18   14   19 o   19.270   0.4343   19.440   0.5832   19.100   0.6437 0.3480000 0.8686000 
1 1 1  -18   14   20 o   25.400   0.3467   25.160   0.4843   25.630   0.4961 -0.4632000 0.6933000 
1 1 1  -18   14   21 o   8.6970   0.8336   9.1890   1.0780   8.2050   1.2720 0.9841000 1.667000 
1 1 1  -18   14   22 o   5.7820   1.2230   5.1290   1.7580   6.4350   1.7010 -1.306000 2.447000 
1 1 1  -18   14   23 o   20.110   0.4647   20.240   0.6647   19.980   0.6495 0.2527000 0.9294000 
1 1 1  -18   14   24 o   3.9410   1.1260   4.1640   1.5900   3.7170   1.5950 0.4466000 2.252000 
1 1 1  -18   14   25 o   3.3500   1.0320   3.9120   1.5740   2.7880   1.3360 1.124000 2.065000 
1 1 1  -18   14   26 o   9.3860   0.8338   8.7450   1.2030   10.030   1.1550 -1.281000 1.668000 
1 1 1  -18   14   27 o   7.0800   1.1340   5.4970   1.7670   8.6630   1.4210 -3.165000 2.268000 
1 1 1  -18   14   28 o   15.630   0.6378   15.390   0.8957   15.870   0.9083 -0.4809000 1.276000 
1 1 1  -18   14   29 o   6.1840   1.2770   6.4910   1.7210   5.8770   1.8870 0.6137000 2.553000 
1 1 1  -18   14   30 o   6.6060   1.3080   6.8420   1.7410   6.3710   1.9530 0.4706000 2.616000 
1 1 1  -18   14   31 o   3.4210   1.1450   3.2970   1.5550   3.5450   1.6820 -0.2473000 2.291000 
1 1 1  -18   14   32 o   5.1240   1.3590   4.8060   1.8600   5.4420   1.9820 -0.6364000 2.718000 
1 1 1  -18   14   33 o   4.6010   1.3460   5.1290   1.9650   4.0720   1.8410 1.057000 2.693000 
1 1 1  -18   14   34 f   2.4120   0.8574   2.3960   1.2040   2.4280   1.2210 -0.3178000E-01 1.715000 
1 1 1  -18   16    1 o   66.150   0.7316   66.320   1.2720   65.970   0.7237 0.3479000 1.463000 
1 1 1  -18   16    2 o   32.800   0.5503   33.560   0.9580   32.030   0.5419 1.529000 1.101000 
1 1 1  -18   16    3 o   45.830   0.5790   45.310   1.0050   46.340   0.5759 -1.027000 1.158000 
1 1 1  -18   16    4 f   46.690   0.5830   46.180   1.0120   47.210   0.5782 -1.029000 1.166000 
1 1 1  -18   16    5 o   29.160   0.5976   28.260   1.0410   30.060   0.5869 -1.804000 1.195000 
1 1 1  -18   16    6 o   10.560   1.0910   9.1940   1.9070   11.920   1.0600 -2.724000 2.182000 
1 1 1  -18   16    7 o   13.200   0.8055   14.790   1.1690   11.610   1.1080 3.174000 1.611000 
1 1 1  -18   16    8 o   19.710   0.4634   20.340   0.6206   19.080   0.6882 1.265000 0.9267000 
1 1 1  -18   16    9 o   37.910   0.3448   37.660   0.4776   38.160   0.4974 -0.5046000 0.6895000 
1 1 1  -18   16   10 o   35.880   0.3456   35.910   0.4767   35.850   0.5004 0.5562000E-01 0.6911000 
1 1 1  -18   16   11 o   10.360   0.8666   10.030   1.2320   10.690   1.2190 -0.6617000 1.733000 
1 1 1  -18   16   12 o   17.910   0.5146   17.780   0.7141   18.040   0.7412 -0.2579000 1.029000 
1 1 1  -18   16   13 o   12.990   0.6834   12.340   0.9820   13.630   0.9508 -1.291000 1.367000 
1 1 1  -18   16   14 o   16.400   0.5849   15.910   0.8351   16.900   0.8191 -0.9946000 1.170000 
1 1 1  -18   16   15 o   31.050   0.4735   30.920   0.6421   31.170   0.6961 -0.2532000 0.9471000 
1 1 1  -18   16   16 o   35.830   0.4303   36.240   0.6314   35.420   0.5849 0.8241000 0.8607000 
1 1 1  -18   16   17 o   7.8260   1.0430   9.3560   1.1520   6.2960   1.7390 3.060000 2.086000 
1 1 1  -18   16   18 o   12.210   0.6229   12.080   0.8531   12.340   0.9077 -0.2531000 1.246000 
1 1 1  -18   16   19 o   14.910   0.5123   14.900   0.6925   14.920   0.7551 -0.1965000E-01 1.025000 
1 1 1  -18   16   20 o   22.940   0.3729   23.060   0.5179   22.810   0.5365 0.2549000 0.7457000 
1 1 1  -18   16   21 o   16.790   0.5357   16.680   0.7753   16.900   0.7394 -0.2158000 1.071000 
1 1 1  -18   16   22 o   12.470   0.6821   11.980   0.9825   12.970   0.9465 -0.9930000 1.364000 
1 1 1  -18   16   23 f   12.310   0.6248   13.180   0.7904   11.440   0.9678 1.739000 1.250000 
1 1 1  -18   16   24 o   15.200   0.5141   14.980   0.7020   15.420   0.7513 -0.4438000 1.028000 
1 1 1  -18   16   25 o   14.560   0.5762   14.860   0.7697   14.270   0.8577 0.5913000 1.152000 
1 1 1  -18   16   26 o   17.700   0.5876   17.920   0.8232   17.470   0.8388 0.4490000 1.175000 
1 1 1  -18   16   27 o   10.760   1.0220   12.040   1.1970   9.4820   1.6560 2.560000 2.043000 
1 1 1  -18   16   28 o   7.2820   1.2300   7.1520   1.6960   7.4130   1.7820 -0.2607000 2.460000 
1 1 1  -18   16   29 o   5.2110   1.3410   5.2180   1.8500   5.2030   1.9400 0.1476000E-01 2.681000 
1 1 1  -18   16   30 o   9.1940   1.2240   10.090   1.4470   8.3010   1.9760 1.785000 2.449000 
1 1 1  -18   16   31 o   12.240   0.9873   13.990   1.1120   10.490   1.6320 3.501000 1.975000 
1 1 1  -18   16   32 o   3.7340   1.2200   3.7810   1.7320   3.6860   1.7200 0.9552000E-01 2.441000 
1 1 1  -18   16   33 o   2.6990   0.9382   2.6690   1.3130   2.7290   1.3400 -0.6002000E-01 1.876000 
1 1 1  -18   18    1 o   18.430   0.4923   18.220   0.7022   18.630   0.6901 -0.4099000 0.9846000 
1 1 1  -18   18    2 o   45.950   0.3594   46.100   0.5086   45.800   0.5078 0.2967000 0.7187000 
1 1 1  -18   18    3 o   33.730   0.3442   33.650   0.4843   33.800   0.4893 -0.1482000 0.6884000 
1 1 1  -18   18    4 o   42.330   0.3501   42.700   0.4963   41.960   0.4940 0.7411000 0.7002000 
1 1 1  -18   18    5 o   11.980   0.7390   11.270   1.0730   12.680   1.0170 -1.412000 1.478000 
1 1 1  -18   18    6 o   25.170   0.3986   24.940   0.5496   25.410   0.5774 -0.4676000 0.7972000 
1 1 1  -18   18    7 o   22.820   0.4267   22.660   0.5843   22.970   0.6220 -0.3066000 0.8534000 
1 1 1  -18   18    8 o   42.960   0.3595   43.060   0.4978   42.870   0.5188 0.1900000 0.7191000 
1 1 1  -18   18    9 o   36.630   0.3513   37.030   0.4830   36.220   0.5102 0.8103000 0.7025000 
1 1 1  -18   18   10 o   43.820   0.3588   43.830   0.4980   43.810   0.5166 0.1849000E-01 0.7176000 
1 1 1  -18   18   11 o   13.310   0.8904   14.130   1.1220   12.480   1.3830 1.651000 1.781000 
1 1 1  -18   18   12 o   11.790   1.0020   12.950   1.1890   10.630   1.6130 2.321000 2.004000 
1 1 1  -18   18   13 o   11.920   0.9650   12.920   1.1200   10.920   1.5720 1.998000 1.930000 
1 1 1  -18   18   14 o   24.680   0.3890   24.770   0.5374   24.600   0.5627 0.1630000 0.7781000 
1 1 1  -18   18   15 o   17.290   0.4833   17.160   0.6697   17.410   0.6971 -0.2472000 0.9667000 
1 1 1  -18   18   16 o   25.010   0.4253   24.140   0.6649   25.880   0.5304 -1.744000 0.8505000 
1 1 1  -18   18   17 o   10.070   0.7757   9.8390   1.0750   10.310   1.1180 -0.4712000 1.551000 
1 1 1  -18   18   18 o   12.580   0.6191   13.020   0.8155   12.150   0.9318 0.8720000 1.238000 
1 1 1  -18   18   19 o   7.3010   1.1760   7.1630   1.6550   7.4390   1.6700 -0.2758000 2.351000 
1 1 1  -18   18   20 o   18.140   0.5254   17.930   0.7620   18.350   0.7235 -0.4144000 1.051000 
1 1 1  -18   18   21 o   33.270   0.3446   32.910   0.4837   33.640   0.4909 -0.7296000 0.6891000 
1 1 1  -18   18   22 o   15.720   0.5254   15.680   0.7171   15.750   0.7682 -0.6640000E-01 1.051000 
1 1 1  -18   18   23 o   13.200   0.6288   13.470   0.8205   12.930   0.9530 0.5486000 1.258000 
1 1 1  -18   18   24 o   13.050   0.7472   13.280   1.0870   12.820   1.0250 0.4687000 1.494000 
1 1 1  -18   18   25 o   17.660   0.6252   17.700   0.8590   17.620   0.9085 0.8652000E-01 1.250000 
1 1 1  -18   18   26 o   10.440   0.8574   10.740   1.0870   10.150   1.3260 0.5850000 1.715000 
1 1 1  -18   18   27 o   10.170   0.9189   10.800   1.1260   9.5460   1.4530 1.254000 1.838000 
1 1 1  -18   18   28 o   3.4920   1.1330   3.5990   1.6180   3.3850   1.5870 0.2139000 2.266000 
1 1 1  -18   18   29 o   4.3340   1.3170   4.0850   1.7830   4.5830   1.9390 -0.4987000 2.635000 
1 1 1  -18   18   30 o   10.320   1.0960   10.990   1.3430   9.6630   1.7320 1.323000 2.191000 
1 1 1  -18   18   31 o   6.0380   1.3690   4.8720   1.9970   7.2050   1.8750 -2.333000 2.739000 
1 1 1  -18   18   32 o   2.2760   0.8121   2.4400   1.2170   2.1110   1.0750 0.3295000 1.624000 
1 1 1  -18   20    1 o   27.140   0.5259   27.250   0.7457   27.040   0.7416 0.2108000 1.052000 
1 1 1  -18   20    2 o   15.640   0.7774   15.360   1.1300   15.910   1.0680 -0.5435000 1.555000 
1 1 1  -18   20    3 o   8.0820   1.2790   5.3210   2.0760   10.840   1.4950 -5.522000 2.558000 
1 1 1  -18   20    4 o   6.8100   1.3980   5.1010   2.0570   8.5180   1.8920 -3.418000 2.795000 
1 1 1  -18   20    5 o   19.740   0.6558   20.040   0.8674   19.440   0.9838 0.6060000 1.312000 
1 1 1  -18   20    6 o   19.140   0.6777   19.860   0.8715   18.420   1.0380 1.445000 1.355000 
1 1 1  -18   20    7 o   32.890   0.5014   32.680   0.6811   33.100   0.7358 -0.4228000 1.003000 
1 1 1  -18   20    8 o   28.450   0.5164   28.370   0.7010   28.530   0.7584 -0.1609000 1.033000 
1 1 1  -18   20    9 o   10.580   0.9301   11.690   1.1420   9.4660   1.4680 2.220000 1.860000 
1 1 1  -18   20   10 o   11.460   0.7162   10.920   1.0080   12.000   1.0170 -1.079000 1.432000 
1 1 1  -18   20   11 o   18.300   0.4610   18.450   0.6093   18.140   0.6920 0.3063000 0.9220000 
1 1 1  -18   20   12 o   17.800   0.4602   17.870   0.6171   17.720   0.6828 0.1451000 0.9204000 
1 1 1  -18   20   13 o   27.830   0.3532   27.950   0.4789   27.720   0.5192 0.2273000 0.7063000 
1 1 1  -18   20   14 o   13.970   0.5831   13.750   0.8099   14.180   0.8391 -0.4335000 1.166000 
1 1 1  -18   20   15 o   15.150   0.5475   15.260   0.7364   15.040   0.8105 0.2150000 1.095000 
1 1 1  -18   20   16 o   21.720   0.4084   21.340   0.5595   22.110   0.5951 -0.7736000 0.8168000 
1 1 1  -18   20   17 o   8.9930   1.0180   9.0960   1.4130   8.8890   1.4660 0.2071000 2.036000 
1 1 1  -18   20   18 o   19.440   0.5122   19.390   0.7182   19.490   0.7305 -0.1006000 1.024000 
1 1 1  -18   20   19 o   4.7300   1.2440   4.7250   1.7240   4.7350   1.7940 -0.1007000E-01 2.488000 
1 1 1  -18   20   20 o   19.070   0.4626   19.180   0.6231   18.970   0.6838 0.2096000 0.9252000 
1 1 1  -18   20   21 o   19.760   0.4523   19.860   0.6053   19.670   0.6723 0.1860000 0.9046000 
1 1 1  -18   20   22 o   10.100   1.1360   8.0570   1.8810   12.150   1.2740 -4.096000 2.272000 
1 1 1  -18   20   23 o   14.880   0.7809   16.170   0.9811   13.600   1.2150 2.570000 1.562000 
1 1 1  -18   20   24 o   3.9940   1.1950   3.4520   1.5480   4.5350   1.8190 -1.084000 2.389000 
1 1 1  -18   20   25 o   4.0580   1.2250   4.0980   1.7100   4.0180   1.7540 0.7962000E-01 2.450000 
1 1 1  -18   20   26 o   6.1780   1.3340   5.2930   1.8570   7.0620   1.9160 -1.769000 2.668000 
1 1 1  -18   20   27 o   5.8000   1.3110   4.8430   1.8490   6.7560   1.8580 -1.912000 2.621000 
1 1 1  -18   20   28 o   4.0240   1.3070   3.9950   1.8230   4.0530   1.8740 -0.5850000E-01 2.615000 
1 1 1  -18   20   29 o   3.2560   1.1050   3.4080   1.6060   3.1030   1.5180 0.3048000 2.210000 
1 1 1  -18   20   30 o   2.7990   0.9709   2.3530   1.1810   3.2450   1.5410 -0.8919000 1.942000 
1 1 1  -18   20   31 o   3.3530   1.0990   3.6240   1.6280   3.0830   1.4750 0.5412000 2.197000 
1 1 1  -18   22    1 o   28.000   0.3489   27.430   0.4916   28.570   0.4953 -1.139000 0.6979000 
1 1 1  -18   22    2 o   29.280   0.3426   29.470   0.4799   29.080   0.4891 0.3922000 0.6852000 
1 1 1  -18   22    3 o   21.020   0.3997   21.030   0.5584   21.010   0.5719 0.1962000E-01 0.7993000 
1 1 1  -18   22    4 o   40.980   0.3415   41.010   0.4818   40.940   0.4841 0.6821000E-01 0.6830000 
1 1 1  -18   22    5 o   23.710   0.3843   23.700   0.5257   23.710   0.5606 -0.8764000E-02 0.7686000 
1 1 1  -18   22    6 o   10.780   0.7520   10.450   1.0430   11.110   1.0840 -0.6666000 1.504000 
1 1 1  -18   22    7 o   10.120   0.8216   10.970   0.9900   9.2630   1.3120 1.705000 1.643000 
1 1 1  -18   22    8 o   30.370   0.3475   30.440   0.4752   30.290   0.5072 0.1565000 0.6950000 
1 1 1  -18   22    9 o   30.560   0.3467   30.220   0.4765   30.900   0.5036 -0.6820000 0.6933000 
1 1 1  -18   22   10 o   19.670   0.4256   19.020   0.5926   20.320   0.6111 -1.301000 0.8512000 
1 1 1  -18   22   11 o   31.670   0.3416   32.340   0.4619   30.990   0.5035 1.358000 0.6833000 
1 1 1  -18   22   12 o   27.590   0.3578   27.680   0.4807   27.500   0.5301 0.1811000 0.7156000 
1 1 1  -18   22   13 o   12.220   0.6748   13.240   0.8038   11.200   1.0840 2.039000 1.350000 
1 1 1  -18   22   14 o   14.250   0.6456   15.180   0.8032   13.310   1.0110 1.875000 1.291000 
1 1 1  -18   22   15 o   8.0530   1.1220   7.8460   1.5340   8.2600   1.6380 -0.4144000 2.244000 
1 1 1  -18   22   16 o   15.450   0.5485   15.880   0.7346   15.010   0.8147 0.8705000 1.097000 
1 1 1  -18   22   17 o   8.0910   1.0470   7.4480   1.5230   8.7340   1.4360 -1.285000 2.093000 
1 1 1  -18   22   18 o   12.840   0.6660   12.110   0.9641   13.560   0.9191 -1.457000 1.332000 
1 1 1  -18   22   19 o   3.1050   1.0400   2.9500   1.4090   3.2610   1.5300 -0.3108000 2.080000 
1 1 1  -18   22   20 o   13.020   0.8672   12.100   1.3040   13.930   1.1440 -1.831000 1.734000 
1 1 1  -18   22   21 f   6.1880   1.4980   6.1020   2.1030   6.2750   2.1330 -0.1732000 2.995000 
1 1 1  -18   22   22 o   4.1460   1.2340   3.7000   1.6290   4.5920   1.8540 -0.8922000 2.468000 
1 1 1  -18   22   23 o   3.7880   1.1930   3.7100   1.6490   3.8670   1.7250 -0.1568000 2.386000 
1 1 1  -18   22   24 o   5.5060   1.2700   6.7060   1.7810   4.3060   1.8090 2.399000 2.539000 
1 1 1  -18   22   25 o   8.2860   1.1630   6.4640   1.8850   10.110   1.3640 -3.644000 2.327000 
1 1 1  -18   22   26 o   4.2870   1.3360   3.4050   1.6450   5.1690   2.1060 -1.764000 2.672000 
1 1 1  -18   22   27 o   3.1370   1.0940   3.2510   1.5790   3.0230   1.5130 0.2283000 2.187000 
1 1 1  -18   22   28 f   2.8620   1.0050   2.7090   1.3320   3.0150   1.5060 -0.3057000 2.010000 
1 1 1  -18   22   29 o   2.8230   0.9835   2.9200   1.4040   2.7260   1.3780 0.1933000 1.967000 
1 1 1  -18   24    1 o   4.2550   1.1580   5.0400   1.7280   3.4700   1.5420 1.570000 2.316000 
1 1 1  -18   24    2 o   27.800   0.3459   28.140   0.4814   27.460   0.4969 0.6799000 0.6918000 
1 1 1  -18   24    3 o   13.390   0.5716   13.500   0.7988   13.270   0.8178 0.2375000 1.143000 
1 1 1  -18   24    4 o   22.610   0.3836   22.630   0.5369   22.590   0.5480 0.3537000E-01 0.7672000 
1 1 1  -18   24    5 o   36.060   0.3378   35.890   0.4667   36.230   0.4884 -0.3408000 0.6756000 
1 1 1  -18   24    6 o   25.780   0.3703   26.100   0.5029   25.470   0.5436 0.6247000 0.7405000 
1 1 1  -18   24    7 o   20.610   0.4238   20.530   0.5720   20.700   0.6256 -0.1715000 0.8477000 
1 1 1  -18   24    8 o   10.530   0.7895   9.3170   1.1830   11.740   1.0460 -2.419000 1.579000 
1 1 1  -18   24    9 o   26.440   0.4208   26.210   0.5852   26.670   0.6049 -0.4623000 0.8416000 
1 1 1  -18   24   10 o   13.780   0.6765   13.550   0.9389   14.010   0.9743 -0.4670000 1.353000 
1 1 1  -18   24   11 f   19.050   0.5111   18.130   0.7278   19.970   0.7179 -1.843000 1.022000 
1 1 1  -18   24   12 o   15.500   0.5793   16.680   0.6668   14.330   0.9476 2.353000 1.159000 
1 1 1  -18   24   13 o   12.930   0.6527   12.560   0.8698   13.300   0.9734 -0.7385000 1.305000 
1 1 1  -18   24   14 f   10.760   0.7857   10.850   1.0070   10.670   1.2070 0.1790000 1.571000 
1 1 1  -18   24   15 o   5.6840   1.2700   5.0740   1.7560   6.2940   1.8350 -1.220000 2.540000 
1 1 1  -18   24   16 o   4.5750   1.3460   4.5730   1.8840   4.5770   1.9220 -0.3660000E-02 2.691000 
1 1 1  -18   24   17 o   21.230   0.5386   20.990   0.7142   21.460   0.8064 -0.4654000 1.077000 
1 1 1  -18   24   18 o   8.7310   1.2880   8.3110   1.9100   9.1500   1.7280 -0.8395000 2.576000 
1 1 1  -18   24   19 f   4.7130   1.2690   5.2070   1.8210   4.2190   1.7660 0.9884000 2.537000 
1 1 1  -18   24   20 o   11.640   0.8059   12.380   1.0360   10.900   1.2350 1.477000 1.612000 
1 1 1  -18   24   21 o   4.4830   1.2420   3.1480   1.4820   5.8180   1.9950 -2.671000 2.485000 
1 1 1  -18   24   22 o   9.3120   1.1560   9.6900   1.3490   8.9350   1.8780 0.7550000 2.312000 
1 1 1  -18   24   23 o   5.3160   1.2510   7.1320   1.8400   3.4990   1.6960 3.633000 2.502000 
1 1 1  -18   24   24 o   3.5840   1.2460   3.1940   1.5610   3.9730   1.9420 -0.7790000 2.492000 
1 1 1  -18   24   25 o   4.6540   1.3980   4.9220   1.9600   4.3860   1.9950 0.5363000 2.797000 
1 1 1  -18   24   26 o   3.5810   1.1150   4.5870   1.8170   2.5750   1.2930 2.012000 2.230000 
1 1 1  -18   24   27 o   2.8560   0.9794   3.0140   1.4400   2.6990   1.3280 0.3145000 1.959000 
1 1 1  -18   26    1 o   22.920   0.3965   23.290   0.5531   22.560   0.5681 0.7263000 0.7929000 
1 1 1  -18   26    2 o   19.860   0.4368   19.850   0.6195   19.880   0.6160 -0.3342000E-01 0.8736000 
1 1 1  -18   26    3 o   9.6270   0.8313   9.8910   1.1380   9.3640   1.2120 0.5272000 1.663000 
1 1 1  -18   26    4 o   21.600   0.4085   20.950   0.5875   22.240   0.5678 -1.293000 0.8171000 
1 1 1  -18   26    5 o   22.000   0.4150   22.400   0.5562   21.590   0.6160 0.8112000 0.8299000 
1 1 1  -18   26    6 f   16.890   0.5025   16.780   0.6798   16.990   0.7401 -0.2096000 1.005000 
1 1 1  -18   26    7 o   3.4650   1.0950   3.7810   1.6110   3.1480   1.4850 0.6328000 2.191000 
1 1 1  -18   26    8 o   6.1500   1.1840   7.4760   1.4890   4.8250   1.8410 2.651000 2.368000 
1 1 1  -18   26    9 o   3.9000   1.1800   3.5680   1.5770   4.2330   1.7550 -0.6650000 2.360000 
1 1 1  -18   26   10 o   10.150   0.8610   11.060   1.0360   9.2370   1.3750 1.828000 1.722000 
1 1 1  -18   26   11 o   6.4110   1.1860   4.6130   1.7630   8.2090   1.5880 -3.595000 2.372000 
1 1 1  -18   26   12 o   8.7170   1.2180   7.2760   1.8980   10.160   1.5260 -2.882000 2.435000 
1 1 1  -18   26   13 o   5.0110   1.3940   4.9000   1.9290   5.1210   2.0120 -0.2213000 2.788000 
1 1 1  -18   26   14 o   6.8690   1.3910   6.0920   1.9840   7.6460   1.9510 -1.554000 2.782000 
1 1 1  -18   26   15 o   11.380   0.7655   10.750   1.1080   12.010   1.0560 -1.259000 1.531000 
1 1 1  -18   26   16 o   10.590   0.8656   10.020   1.2490   11.160   1.1990 -1.141000 1.731000 
1 1 1  -18   26   17 o   16.220   0.6818   16.170   0.7810   16.280   1.1180 -0.1110000 1.364000 
1 1 1  -18   26   18 o   7.0120   1.4370   5.8970   1.8660   8.1270   2.1860 -2.230000 2.874000 
1 1 1  -18   26   19 o   11.650   0.9968   11.850   1.1040   11.460   1.6600 0.3833000 1.994000 
1 1 1  -18   26   20 o   4.4090   1.3620   4.1410   1.7700   4.6780   2.0700 -0.5367000 2.723000 
1 1 1  -18   26   21 o   4.8400   1.3760   5.7190   2.0390   3.9600   1.8490 1.759000 2.753000 
1 1 1  -18   26   22 o   5.2020   1.4930   5.0930   2.0680   5.3120   2.1540 -0.2188000 2.986000 
1 1 1  -18   26   23 o   2.5490   0.9038   2.5230   1.2670   2.5740   1.2890 -0.5102000E-01 1.808000 
1 1 1  -18   26   24 o   2.9910   1.0170   3.0080   1.4390   2.9750   1.4360 0.3338000E-01 2.033000 
1 1 1  -18   26   25 o   2.9260   0.9965   2.8780   1.3890   2.9730   1.4300 -0.9527000E-01 1.993000 
1 1 1  -18   28    1 o   7.2830   1.2870   8.1700   1.7250   6.3960   1.9090 1.774000 2.573000 
1 1 1  -18   28    2 o   8.5180   1.1540   10.310   1.3450   6.7260   1.8760 3.585000 2.308000 
1 1 1  -18   28    3 o   15.570   0.6376   15.970   0.8924   15.170   0.9109 0.7965000 1.275000 
1 1 1  -18   28    4 o   7.2970   1.2710   8.1720   1.6970   6.4210   1.8930 1.751000 2.542000 
1 1 1  -18   28    5 o   12.170   0.8461   11.210   1.2620   13.130   1.1270 -1.923000 1.692000 
1 1 1  -18   28    6 o   4.9680   1.3190   6.0330   1.9710   3.9030   1.7540 2.130000 2.638000 
1 1 1  -18   28    7 o   10.400   1.0120   9.9440   1.4680   10.870   1.3940 -0.9215000 2.024000 
1 1 1  -18   28    8 o   6.7850   1.2230   8.0390   1.5180   5.5300   1.9190 2.509000 2.447000 
1 1 1  -18   28    9 o   4.8100   1.2300   3.4490   1.5610   6.1710   1.9000 -2.721000 2.459000 
1 1 1  -18   28   10 o   7.4990   1.1530   9.9170   1.2000   5.0800   1.9700 4.837000 2.307000 
1 1 1  -18   28   11 o   15.010   0.7728   16.290   0.7775   13.730   1.3360 2.554000 1.546000 
1 1 1  -18   28   12 o   17.370   0.6523   16.660   0.7725   18.080   1.0510 -1.424000 1.305000 
1 1 1  -18   28   13 o   5.9650   1.3040   7.4980   1.6910   4.4330   1.9870 3.065000 2.609000 
1 1 1  -18   28   14 o   3.1800   1.0990   2.6690   1.3130   3.6910   1.7620 -1.022000 2.198000 
1 1 1  -18   28   15 o   12.190   0.8818   13.090   0.9851   11.290   1.4630 1.800000 1.764000 
1 1 1  -18   28   16 f   13.990   0.7009   13.030   1.0160   14.940   0.9655 -1.908000 1.402000 
1 1 1  -18   28   17 o   4.1440   1.2880   3.6880   1.6830   4.6010   1.9510 -0.9130000 2.577000 
1 1 1  -18   28   18 o   3.4710   1.1590   3.2600   1.5570   3.6830   1.7190 -0.4230000 2.319000 
1 1 1  -18   28   19 o   4.0390   1.3110   3.8070   1.7710   4.2720   1.9330 -0.4657000 2.621000 
1 1 1  -18   28   20 o   9.6720   1.0880   9.7810   1.5150   9.5630   1.5610 0.2176000 2.175000 
1 1 1  -18   28   21 o   2.7240   0.9424   3.1150   1.4730   2.3340   1.1760 0.7812000 1.885000 
1 1 1  -18   28   22 o   2.5750   0.9016   2.7410   1.3400   2.4080   1.2070 0.3338000 1.803000 
1 1 1  -18   30    1 o   11.150   0.8889   11.280   1.1260   11.030   1.3760 0.2442000 1.778000 
1 1 1  -18   30    2 o   2.9300   1.0100   2.8140   1.3690   3.0460   1.4860 -0.2326000 2.021000 
1 1 1  -18   30    3 o   5.4360   1.3260   6.7150   1.8340   4.1580   1.9160 2.557000 2.652000 
1 1 1  -18   30    4 o   20.510   0.5972   21.180   0.6397   19.830   1.0090 1.344000 1.194000 
1 1 1  -18   30    5 o   10.670   1.0610   9.8900   1.3070   11.450   1.6730 -1.557000 2.123000 
1 1 1  -18   30    6 o   10.600   1.0910   9.3740   1.3990   11.820   1.6740 -2.447000 2.181000 
1 1 1  -18   30    7 o   8.4300   1.3680   8.7810   1.4870   8.0780   2.2970 0.7022000 2.736000 
1 1 1  -18   30    8 o   3.3020   1.1070   3.3110   1.5410   3.2930   1.5880 0.1793000E-01 2.213000 
1 1 1  -18   30    9 o   4.6710   1.2910   5.0670   1.8430   4.2750   1.8070 0.7921000 2.581000 
1 1 1  -18   30   10 o   7.4400   1.2420   7.6410   1.6600   7.2400   1.8470 0.4013000 2.483000 
1 1 1  -18   30   11 o   6.3660   1.2900   7.4330   1.7140   5.2990   1.9290 2.134000 2.580000 
1 1 1  -18   30   12 f   13.910   0.7800   15.040   0.9863   12.780   1.2090 2.254000 1.560000 
1 1 1  -18   30   13 o   3.7550   1.1840   4.5870   1.8800   2.9230   1.4400 1.665000 2.368000 
1 1 1  -18   30   14 o   4.5450   1.3410   3.1280   1.5010   5.9610   2.2240 -2.833000 2.683000 
1 1 1  -18   30   15 o   9.4320   1.1980   11.350   1.2920   7.5190   2.0180 3.827000 2.396000 
1 1 1  -18   30   16 o   2.6470   0.9337   2.5840   1.2910   2.7100   1.3500 -0.1252000 1.867000 
1 1 1  -18   30   17 o   5.0060   1.3650   5.2220   1.9860   4.7890   1.8740 0.4329000 2.730000 
1 1 1  -18   30   18 o   2.2860   0.8143   2.1990   1.1110   2.3730   1.1910 -0.1738000 1.629000 
1 1 1  -18   30   19 o   3.4970   1.1170   3.0210   1.4310   3.9730   1.7160 -0.9523000 2.234000 
1 1 1  -18   32    1 o   3.4210   1.1580   3.6160   1.6800   3.2250   1.5940 0.3907000 2.315000 
1 1 1  -18   32    2 o   6.3460   1.5200   6.7410   2.0050   5.9500   2.2840 0.7918000 3.039000 
1 1 1  -18   32    3 o   4.2370   1.2320   5.4880   1.9790   2.9860   1.4690 2.502000 2.464000 
1 1 1  -18   32    4 o   11.060   1.5380   12.490   1.1790   9.6380   2.8400 2.853000 3.075000 
1 1 1  -18   32    5 o   5.5480   1.4940   4.8500   1.9340   6.2450   2.2790 -1.394000 2.989000 
1 1 1  -18   32    6 o   4.5230   1.4080   4.3250   1.9240   4.7210   2.0560 -0.3957000 2.815000 
1 1 1  -18   32    7 o   4.0370   1.3000   2.9030   1.4460   5.1710   2.1600 -2.269000 2.599000 
1 1 1  -18   32    8 o   10.260   1.1940   9.3010   1.8920   11.210   1.4560 -1.912000 2.387000 
1 1 1  -18   32    9 o   3.0140   1.0400   3.0300   1.4710   2.9990   1.4700 0.3039000E-01 2.079000 
1 1 1  -18   32   10 o   3.3960   1.1300   3.7130   1.6950   3.0790   1.4940 0.6339000 2.260000 
1 1 1  -18   32   11 o   3.2660   1.1000   2.9400   1.4330   3.5920   1.6690 -0.6521000 2.200000 
1 1 1  -18   32   12 o   2.9710   1.0040   2.7800   1.3480   3.1630   1.4890 -0.3837000 2.009000 
1 1 1  -18   32   13 o   2.3310   0.8274   2.3190   1.1620   2.3440   1.1780 -0.2443000E-01 1.655000 
1 1 1  -18   32   14 o   2.2610   0.8055   2.1790   1.1010   2.3440   1.1760 -0.1657000 1.611000 
1 1 1  -18   34    1 o   4.6180   1.2170   5.8200   1.8580   3.4160   1.5720 2.404000 2.434000 
1 1 1  -18   34    2 o   2.6780   0.9293   2.4300   1.2120   2.9260   1.4090 -0.4958000 1.859000 
1 1 1  -18   34    3 o   6.2330   1.2420   4.9190   1.8350   7.5460   1.6740 -2.627000 2.484000 
1 1 1  -18   34    4 o   2.9180   0.9897   2.6070   1.2840   3.2290   1.5060 -0.6223000 1.979000 
1 1 1  -18   34    5 o   2.1070   0.7579   2.2850   1.1500   1.9290   0.9879 0.3562000 1.516000 
1 1 1  -18   34    6 o   2.5440   0.9123   2.8330   1.4130   2.2550   1.1540 0.5786000 1.825000 
1 1 1  -17    1    1 o   63.670   0.4025   64.000   0.5721   63.340   0.5663 0.6670000 0.8050000 
1 1 1  -17    1    2 o   56.550   0.4411   56.980   0.7244   56.110   0.5034 0.8730000 0.8822000 
1 1 1  -17    1    3 o   51.120   0.3252   50.620   0.4558   51.620   0.4639 -0.9992000 0.6503000 
1 1 1  -17    1    4 o   44.070   0.3256   44.040   0.4604   44.090   0.4606 -0.4963000E-01 0.6512000 
1 1 1  -17    1    5 o   64.590   0.4716   64.190   0.6629   64.980   0.6711 -0.7981000 0.9433000 
1 1 1  -17    1    6 o   46.550   0.3876   46.730   0.4928   46.370   0.5983 0.3684000 0.7751000 
1 1 1  -17    1    7 o   37.920   0.2910   37.980   0.4114   37.850   0.4118 0.1294000 0.5821000 
1 1 1  -17    1    8 o   25.960   0.1976   26.140   0.2809   25.780   0.2779 0.3612000 0.3952000 
1 1 1  -17    1    9 o   26.830   0.2063   26.660   0.2905   27.000   0.2929 -0.3395000 0.4126000 
1 1 1  -17    1   10 o   42.670   0.2835   42.650   0.4007   42.700   0.4012 -0.5225000E-01 0.5670000 
1 1 1  -17    1   11 o   53.900   0.4042   53.950   0.5723   53.840   0.5711 0.1101000 0.8085000 
1 1 1  -17    1   12 o   42.690   0.3351   42.760   0.4755   42.610   0.4723 0.1559000 0.6702000 
1 1 1  -17    1   13 o   25.780   0.2465   26.050   0.3212   25.510   0.3740 0.5431000 0.4930000 
1 1 1  -17    1   14 o   28.580   0.2416   28.640   0.3426   28.520   0.3407 0.1184000 0.4832000 
1 1 1  -17    1   15 o   14.200   0.3605   13.300   0.5029   15.090   0.5166 -1.793000 0.7210000 
1 1 1  -17    1   16 o   51.110   0.3466   51.040   0.4889   51.180   0.4915 -0.1423000 0.6932000 
1 1 1  -17    1   17 o   65.660   0.4306   65.560   0.6075   65.770   0.6105 -0.2132000 0.8613000 
1 1 1  -17    1   18 o   44.280   0.3247   43.760   0.4556   44.790   0.4626 -1.032000 0.6493000 
1 1 1  -17    1   19 o   25.270   0.3276   25.160   0.4626   25.380   0.4641 -0.2228000 0.6553000 
1 1 1  -17    1   20 o   26.640   0.4418   26.270   0.6173   27.010   0.6323 -0.7405000 0.8837000 
1 1 1  -17    1   21 o   24.840   0.3912   23.720   0.5438   25.960   0.5625 -2.236000 0.7824000 
1 1 1  -17    1   22 o   26.390   0.3250   26.360   0.4602   26.430   0.4590 -0.6232000E-01 0.6500000 
1 1 1  -17    1   23 o   27.050   0.3239   26.960   0.4579   27.130   0.4582 -0.1681000 0.6478000 
1 1 1  -17    1   24 o   29.180   0.3130   28.980   0.4420   29.380   0.4432 -0.3993000 0.6260000 
1 1 1  -17    1   25 o   5.2680   1.3910   4.7990   1.9160   5.7360   2.0160 -0.9372000 2.781000 
1 1 1  -17    1   26 o   5.5220   1.1110   5.8350   1.5260   5.2100   1.6160 0.6257000 2.223000 
1 1 1  -17    1   27 o   29.940   0.3106   29.830   0.4366   30.060   0.4418 -0.2376000 0.6211000 
1 1 1  -17    1   28 o   10.240   0.6589   11.260   0.8284   9.2290   1.0250 2.029000 1.318000 
1 1 1  -17    1   29 o   14.090   0.4989   13.600   0.7285   14.570   0.6818 -0.9690000 0.9978000 
1 1 1  -17    1   30 o   20.780   0.3762   21.370   0.5146   20.190   0.5490 1.186000 0.7524000 
1 1 1  -17    1   31 f   5.6020   1.2010   5.5210   1.6910   5.6830   1.7070 -0.1623000 2.402000 
1 1 1  -17    1   32 o   18.280   0.4517   18.350   0.6385   18.200   0.6390 0.1564000 0.9034000 
1 1 1  -17    1   33 o   14.160   0.8139   14.850   1.0990   13.460   1.2010 1.390000 1.628000 
1 1 1  -17    1   34 o   7.7870   1.2090   8.6300   1.5030   6.9440   1.8940 1.687000 2.418000 
1 1 1  -17    1   35 f   5.6470   1.3640   5.4700   1.8800   5.8230   1.9760 -0.3524000 2.728000 
1 1 1  -17    1   36 o   2.5760   0.9087   2.5210   1.2580   2.6320   1.3110 -0.1113000 1.817000 
1 1 1  -17    1   37 o   2.9690   1.0530   3.0040   1.5030   2.9340   1.4740 0.7082000E-01 2.105000 
1 1 1  -17    1   38 o   2.9100   1.0020   2.5410   1.2810   3.2780   1.5410 -0.7367000 2.004000 
1 1 1  -17    3    1 o   15.010   0.1737   15.470   0.2790   14.560   0.2071 0.9029000 0.3475000 
1 1 1  -17    3    2 o   58.370   0.5286   57.840   0.7406   58.900   0.7545 -1.060000 1.057000 
1 1 1  -17    3    3 o   43.500   0.3484   42.970   0.5679   44.040   0.4036 -1.061000 0.6967000 
1 1 1  -17    3    4 o   54.480   0.3478   54.580   0.4926   54.380   0.4911 0.2000000 0.6956000 
1 1 1  -17    3    5 o   23.800   0.1847   23.700   0.2607   23.900   0.2618 -0.2050000 0.3694000 
1 1 1  -17    3    6 o   72.370   0.5305   72.750   0.7541   71.990   0.7464 0.7581000 1.061000 
1 1 1  -17    3    7 o   12.660   0.2816   12.350   0.3590   12.960   0.4341 -0.6082000 0.5633000 
1 1 1  -17    3    8 o   4.7620   0.5988   5.2070   0.7447   4.3170   0.9380 0.8898000 1.198000 
1 1 1  -17    3    9 o   42.740   0.2850   42.520   0.4008   42.960   0.4052 -0.4350000 0.5700000 
1 1 1  -17    3   10 o   36.510   0.2930   36.280   0.4126   36.740   0.4162 -0.4547000 0.5860000 
1 1 1  -17    3   11 o   32.620   0.2435   32.450   0.3430   32.790   0.3458 -0.3425000 0.4870000 
1 1 1  -17    3   12 o   67.500   0.5012   67.730   0.7114   67.270   0.7061 0.4552000 1.002000 
1 1 1  -17    3   13 o   41.590   0.2890   41.070   0.4046   42.110   0.4128 -1.039000 0.5780000 
1 1 1  -17    3   14 o   46.300   0.3160   46.590   0.4486   46.020   0.4450 0.5701000 0.6319000 
1 1 1  -17    3   15 o   29.340   0.2587   29.360   0.3651   29.310   0.3666 0.4801000E-01 0.5174000 
1 1 1  -17    3   16 o   34.880   0.2814   35.200   0.3975   34.570   0.3985 0.6325000 0.5629000 
1 1 1  -17    3   17 o   69.670   0.4543   69.740   0.6430   69.600   0.6418 0.1367000 0.9085000 
1 1 1  -17    3   18 o   50.490   0.3558   50.570   0.5032   50.400   0.5030 0.1739000 0.7115000 
1 1 1  -17    3   19 o   24.780   0.3773   24.830   0.5419   24.740   0.5251 0.8875000E-01 0.7546000 
1 1 1  -17    3   20 o   20.080   0.5172   20.100   0.7126   20.060   0.7499 0.3275000E-01 1.034000 
1 1 1  -17    3   21 f   25.520   0.3814   25.750   0.5187   25.290   0.5592 0.4580000 0.7628000 
1 1 1  -17    3   22 o   28.490   0.3219   29.040   0.4414   27.930   0.4686 1.117000 0.6438000 
1 1 1  -17    3   23 o   26.150   0.3268   26.150   0.4567   26.150   0.4677 0.8326000E-02 0.6536000 
1 1 1  -17    3   24 o   8.4880   0.8546   7.3140   1.3430   9.6620   1.0580 -2.348000 1.709000 
1 1 1  -17    3   25 o   8.3480   1.2350   8.8570   1.6300   7.8380   1.8550 1.020000 2.469000 
1 1 1  -17    3   26 o   7.9250   1.0020   7.6880   1.5150   8.1630   1.3120 -0.4745000 2.005000 
1 1 1  -17    3   27 o   12.680   0.5313   13.010   0.7218   12.350   0.7799 0.6596000 1.063000 
1 1 1  -17    3   28 o   7.4530   0.9195   8.8980   1.0560   6.0080   1.5050 2.891000 1.839000 
1 1 1  -17    3   29 o   11.530   0.5994   11.900   0.8284   11.170   0.8666 0.7350000 1.199000 
1 1 1  -17    3   30 o   9.8040   0.7334   9.7590   1.0360   9.8480   1.0380 -0.8855000E-01 1.467000 
1 1 1  -17    3   31 o   7.6530   1.0130   8.0660   1.3320   7.2400   1.5260 0.8266000 2.026000 
1 1 1  -17    3   32 o   12.780   0.7362   12.230   1.1200   13.320   0.9562 -1.093000 1.472000 
1 1 1  -17    3   33 o   8.2670   1.3490   10.250   1.6120   6.2890   2.1630 3.956000 2.698000 
1 1 1  -17    3   34 o   8.3070   1.1220   8.3640   1.5340   8.2500   1.6380 0.1146000 2.244000 
1 1 1  -17    3   35 o   4.4030   1.2770   4.2440   1.7610   4.5610   1.8500 -0.3170000 2.554000 
1 1 1  -17    3   36 f   3.2330   1.0810   2.7350   1.3480   3.7310   1.6910 -0.9957000 2.163000 
1 1 1  -17    3   37 o   4.3570   1.4130   4.4210   2.0210   4.2920   1.9740 0.1287000 2.825000 
1 1 1  -17    5    1 o   61.750   0.3942   61.540   0.5557   61.960   0.5594 -0.4253000 0.7885000 
1 1 1  -17    5    2 o   35.960   0.2461   35.870   0.3470   36.050   0.3492 -0.1800000 0.4923000 
1 1 1  -17    5    3 o   22.850   0.1985   22.300   0.2788   23.410   0.2826 -1.104000 0.3969000 
1 1 1  -17    5    4 o   62.340   0.3987   62.020   0.5611   62.660   0.5665 -0.6492000 0.7974000 
1 1 1  -17    5    5 o   22.520   0.2591   23.650   0.3360   21.390   0.3946 2.260000 0.5183000 
1 1 1  -17    5    6 o   26.060   0.2482   26.750   0.3509   25.370   0.3510 1.383000 0.4963000 
1 1 1  -17    5    7 o   42.300   0.2844   42.620   0.4039   41.970   0.4004 0.6500000 0.5687000 
1 1 1  -17    5    8 o   30.670   0.2638   30.790   0.3725   30.550   0.3736 0.2369000 0.5276000 
1 1 1  -17    5    9 o   19.220   0.2852   19.820   0.4376   18.630   0.3659 1.185000 0.5704000 
1 1 1  -17    5   10 o   52.780   0.3468   52.720   0.4896   52.840   0.4914 -0.1238000 0.6937000 
1 1 1  -17    5   11 o   59.810   0.4503   59.840   0.6374   59.770   0.6363 0.7075000E-01 0.9007000 
1 1 1  -17    5   12 o   16.460   0.3336   16.760   0.4715   16.160   0.4722 0.6077000 0.6673000 
1 1 1  -17    5   13 o   68.500   0.4420   68.560   0.6251   68.440   0.6250 0.1144000 0.8840000 
1 1 1  -17    5   14 o   23.880   0.2634   23.540   0.3713   24.220   0.3736 -0.6762000 0.5267000 
1 1 1  -17    5   15 o   23.450   0.2782   23.460   0.3940   23.450   0.3928 0.5405000E-02 0.5563000 
1 1 1  -17    5   16 o   12.560   0.4739   12.590   0.6664   12.540   0.6740 0.5075000E-01 0.9478000 
1 1 1  -17    5   17 o   40.380   0.3140   40.210   0.4400   40.550   0.4481 -0.3463000 0.6280000 
1 1 1  -17    5   18 o   15.370   0.4537   15.310   0.6325   15.430   0.6506 -0.1279000 0.9074000 
1 1 1  -17    5   19 o   33.350   0.3657   33.470   0.5198   33.230   0.5146 0.2397000 0.7314000 
1 1 1  -17    5   20 o   31.190   0.3621   31.050   0.4978   31.320   0.5261 -0.2744000 0.7243000 
1 1 1  -17    5   21 o   14.930   0.5572   15.360   0.7221   14.490   0.8488 0.8743000 1.114000 
1 1 1  -17    5   22 o   4.2520   1.1310   4.8250   1.6410   3.6790   1.5590 1.146000 2.263000 
1 1 1  -17    5   23 o   20.610   0.3682   20.790   0.5083   20.420   0.5330 0.3763000 0.7365000 
1 1 1  -17    5   24 o   12.960   0.6338   13.870   0.7869   12.060   0.9938 1.810000 1.268000 
1 1 1  -17    5   25 o   19.800   0.4351   20.070   0.6365   19.530   0.5935 0.5445000 0.8703000 
1 1 1  -17    5   26 o   14.090   0.4986   14.340   0.6791   13.840   0.7302 0.4997000 0.9972000 
1 1 1  -17    5   27 o   8.0940   0.8588   8.4950   1.1050   7.6920   1.3150 0.8029000 1.718000 
1 1 1  -17    5   28 o   16.290   0.4394   16.270   0.6023   16.310   0.6400 -0.4004000E-01 0.8789000 
1 1 1  -17    5   29 o   15.460   0.4730   15.450   0.6547   15.470   0.6828 -0.1897000E-01 0.9460000 
1 1 1  -17    5   30 o   8.2160   0.9181   8.7120   1.1460   7.7190   1.4350 0.9929000 1.836000 
1 1 1  -17    5   31 o   5.6070   1.2170   5.2880   1.7270   5.9270   1.7150 -0.6392000 2.434000 
1 1 1  -17    5   32 o   10.940   0.8776   11.400   1.2390   10.490   1.2430 0.9042000 1.755000 
1 1 1  -17    5   33 o   13.070   0.7953   13.010   1.0700   13.130   1.1770 -0.1222000 1.591000 
1 1 1  -17    5   34 o   7.2560   1.4150   6.5270   2.2300   7.9850   1.7430 -1.459000 2.830000 
1 1 1  -17    5   35 o   4.0100   1.2970   4.6890   2.0620   3.3310   1.5730 1.358000 2.594000 
1 1 1  -17    5   36 o   8.1280   1.6660   7.1960   2.7830   9.0590   1.8330 -1.863000 3.332000 
1 1 1  -17    5   37 o   2.6090   0.9305   2.1770   1.1230   3.0400   1.4840 -0.8635000 1.861000 
1 1 1  -17    7    1 o   8.8940   0.5787   8.6310   0.8503   9.1560   0.7853 -0.5252000 1.157000 
1 1 1  -17    7    2 o   40.890   0.3948   40.710   0.5556   41.060   0.5609 -0.3458000 0.7895000 
1 1 1  -17    7    3 o   35.670   0.3615   36.620   0.5167   34.710   0.5056 1.912000 0.7229000 
1 1 1  -17    7    4 o   38.360   0.3789   38.800   0.5386   37.920   0.5331 0.8794000 0.7578000 
1 1 1  -17    7    5 o   18.300   0.2766   17.810   0.3908   18.800   0.3915 -0.9917000 0.5531000 
1 1 1  -17    7    6 o   26.440   0.2648   25.870   0.3719   27.000   0.3771 -1.123000 0.5297000 
1 1 1  -17    7    7 o   36.240   0.2643   36.030   0.3720   36.460   0.3757 -0.4377000 0.5287000 
1 1 1  -17    7    8 o   31.890   0.2508   31.940   0.3533   31.840   0.3561 0.9911000E-01 0.5016000 
1 1 1  -17    7    9 o   60.530   0.3943   60.570   0.5576   60.480   0.5577 0.8846000E-01 0.7886000 
1 1 1  -17    7   10 o   23.610   0.2551   23.980   0.3555   23.230   0.3659 0.7531000 0.5102000 
1 1 1  -17    7   11 o   69.440   0.5187   69.200   0.7309   69.690   0.7362 -0.4925000 1.037000 
1 1 1  -17    7   12 o   19.480   0.2829   19.370   0.3879   19.590   0.4119 -0.2213000 0.5658000 
1 1 1  -17    7   13 o   74.030   0.4778   73.840   0.6734   74.220   0.6780 -0.3792000 0.9556000 
1 1 1  -17    7   14 o   71.530   0.4642   71.450   0.6559   71.610   0.6570 -0.1656000 0.9284000 
1 1 1  -17    7   15 f   80.370   0.5187   80.580   0.7353   80.170   0.7316 0.4082000 1.037000 
1 1 1  -17    7   16 o   69.020   0.4540   68.900   0.6403   69.130   0.6438 -0.2272000 0.9080000 
1 1 1  -17    7   17 o   42.650   0.3587   42.730   0.5386   42.560   0.4740 0.1657000 0.7175000 
1 1 1  -17    7   18 o   41.250   0.3842   41.490   0.5472   41.020   0.5394 0.4620000 0.7683000 
1 1 1  -17    7   19 o   34.670   0.3233   34.990   0.4553   34.360   0.4591 0.6344000 0.6466000 
1 1 1  -17    7   20 o   47.980   0.4056   48.110   0.5682   47.850   0.5790 0.2606000 0.8112000 
1 1 1  -17    7   21 o   13.500   0.5468   13.500   0.7561   13.500   0.7900 0.5337000E-02 1.094000 
1 1 1  -17    7   22 o   25.380   0.3360   25.900   0.4631   24.850   0.4869 1.053000 0.6719000 
1 1 1  -17    7   23 o   25.280   0.3915   25.090   0.5285   25.480   0.5777 -0.3881000 0.7830000 
1 1 1  -17    7   24 o   17.670   0.4118   18.120   0.5464   17.220   0.6162 0.8951000 0.8236000 
1 1 1  -17    7   25 o   28.150   0.3736   28.490   0.5330   27.810   0.5236 0.6763000 0.7472000 
1 1 1  -17    7   26 o   4.2490   1.1290   4.2380   1.5630   4.2590   1.6300 -0.2092000E-01 2.259000 
1 1 1  -17    7   27 o   19.170   0.3879   19.140   0.5296   19.190   0.5668 -0.4987000E-01 0.7757000 
1 1 1  -17    7   28 o   14.090   0.5123   14.390   0.6767   13.800   0.7693 0.5943000 1.025000 
1 1 1  -17    7   29 o   12.170   0.6192   12.990   0.7801   11.350   0.9618 1.643000 1.238000 
1 1 1  -17    7   30 f   4.9940   1.3250   5.2240   1.9850   4.7630   1.7570 0.4604000 2.651000 
1 1 1  -17    7   31 o   10.030   1.4030   9.8230   2.4930   10.240   1.2890 -0.4145000 2.807000 
1 1 1  -17    7   32 o   12.540   1.3080   11.310   2.3890   13.770   1.0670 -2.465000 2.616000 
1 1 1  -17    7   33 o   4.2650   1.3080   3.5970   1.7190   4.9320   1.9720 -1.334000 2.616000 
1 1 1  -17    7   34 o   4.6660   1.3190   4.8060   1.8650   4.5250   1.8650 0.2811000 2.638000 
1 1 1  -17    7   35 f   7.4630   1.2340   5.6510   1.9200   9.2740   1.5490 -3.623000 2.467000 
1 1 1  -17    7   36 o   3.9230   1.2540   3.3620   1.6000   4.4830   1.9300 -1.121000 2.507000 
1 1 1  -17    7   37 o   2.9640   1.0310   3.1750   1.5400   2.7530   1.3720 0.4223000 2.063000 
1 1 1  -17    9    1 o   34.330   0.2590   34.270   0.3660   34.380   0.3665 -0.1131000 0.5180000 
1 1 1  -17    9    2 f   13.550   0.3469   13.780   0.5156   13.310   0.4643 0.4607000 0.6939000 
1 1 1  -17    9    3 o   32.590   0.2541   32.680   0.3586   32.510   0.3602 0.1655000 0.5083000 
1 1 1  -17    9    4 o   48.570   0.3272   48.310   0.4599   48.830   0.4655 -0.5243000 0.6544000 
1 1 1  -17    9    5 o   72.300   0.4649   71.970   0.6542   72.630   0.6606 -0.6633000 0.9297000 
1 1 1  -17    9    6 o   36.510   0.2756   36.530   0.3897   36.500   0.3899 0.2819000E-01 0.5513000 
1 1 1  -17    9    7 o   17.850   0.3005   17.800   0.4277   17.900   0.4221 -0.9845000E-01 0.6010000 
1 1 1  -17    9    8 o   57.440   0.3800   57.410   0.5368   57.480   0.5381 -0.7538000E-01 0.7601000 
1 1 1  -17    9    9 o   49.750   0.3946   50.360   0.5632   49.130   0.5527 1.225000 0.7891000 
1 1 1  -17    9   10 o   64.980   0.4927   64.990   0.6970   64.970   0.6965 0.2394000E-01 0.9853000 
1 1 1  -17    9   11 o   39.020   0.3204   38.810   0.4166   39.240   0.4868 -0.4306000 0.6408000 
1 1 1  -17    9   12 o   29.820   0.2850   29.940   0.3984   29.700   0.4075 0.2398000 0.5699000 
1 1 1  -17    9   13 o   36.090   0.2995   36.200   0.4229   35.980   0.4242 0.2190000 0.5990000 
1 1 1  -17    9   14 o   28.240   0.3029   28.530   0.4219   27.950   0.4349 0.5846000 0.6059000 
1 1 1  -17    9   15 o   30.210   0.3130   30.520   0.4336   29.900   0.4516 0.6248000 0.6260000 
1 1 1  -17    9   16 o   5.4340   1.2310   6.6350   1.7420   4.2320   1.7420 2.403000 2.463000 
1 1 1  -17    9   17 o   12.310   0.7331   13.140   0.9619   11.480   1.1070 1.660000 1.466000 
1 1 1  -17    9   18 f   28.630   0.3345   28.730   0.4629   28.530   0.4830 0.1930000 0.6690000 
1 1 1  -17    9   19 o   29.120   0.3756   29.260   0.5072   28.990   0.5541 0.2746000 0.7512000 
1 1 1  -17    9   20 o   17.550   0.4919   17.550   0.6631   17.550   0.7269 -0.4847000E-02 0.9839000 
1 1 1  -17    9   21 o   52.530   0.3775   52.670   0.5316   52.380   0.5360 0.2972000 0.7549000 
1 1 1  -17    9   22 o   26.890   0.3963   27.520   0.5377   26.270   0.5823 1.250000 0.7926000 
1 1 1  -17    9   23 o   5.4120   1.0420   7.0950   1.3610   3.7280   1.5790 3.368000 2.085000 
1 1 1  -17    9   24 o   33.280   0.3722   33.710   0.5336   32.840   0.5192 0.8699000 0.7445000 
1 1 1  -17    9   25 o   12.100   0.6968   12.430   1.0050   11.760   0.9651 0.6754000 1.394000 
1 1 1  -17    9   26 o   17.230   0.4906   17.580   0.7538   16.890   0.6280 0.6895000 0.9812000 
1 1 1  -17    9   27 o   6.5060   1.1370   8.2600   1.5460   4.7510   1.6680 3.509000 2.274000 
1 1 1  -17    9   28 o   7.8030   1.1020   6.7490   1.8610   8.8580   1.1800 -2.109000 2.204000 
1 1 1  -17    9   29 o   6.2970   1.2200   5.2640   1.9390   7.3300   1.4800 -2.067000 2.440000 
1 1 1  -17    9   30 o   7.0150   1.1240   6.7840   1.6480   7.2460   1.5290 -0.4625000 2.249000 
1 1 1  -17    9   31 o   6.0430   1.3850   6.3610   1.9710   5.7240   1.9460 0.6369000 2.770000 
1 1 1  -17    9   32 o   14.810   0.7030   16.090   0.8429   13.520   1.1250 2.573000 1.406000 
1 1 1  -17    9   33 o   18.850   0.5901   18.560   0.7733   19.150   0.8914 -0.5931000 1.180000 
1 1 1  -17    9   34 o   5.0600   1.3390   5.3980   1.8920   4.7220   1.8960 0.6758000 2.678000 
1 1 1  -17    9   35 o   11.340   1.1660   12.210   1.2290   10.460   1.9810 1.749000 2.332000 
1 1 1  -17    9   36 o   4.3230   1.2760   4.2000   1.7750   4.4460   1.8320 -0.2457000 2.551000 
1 1 1  -17   11    1 o   29.570   0.2618   29.220   0.3708   29.920   0.3695 -0.7002000 0.5235000 
1 1 1  -17   11    2 o   20.370   0.3084   20.430   0.4000   20.300   0.4694 0.1273000 0.6167000 
1 1 1  -17   11    3 o   49.910   0.3386   49.880   0.4787   49.940   0.4791 -0.6444000E-01 0.6773000 
1 1 1  -17   11    4 o   54.420   0.3919   55.320   0.5217   53.510   0.5850 1.809000 0.7838000 
1 1 1  -17   11    5 o   91.950   0.6776   91.940   0.9578   91.970   0.9588 -0.2304000E-01 1.355000 
1 1 1  -17   11    6 o   13.290   0.4986   13.400   0.6921   13.170   0.7179 0.2298000 0.9972000 
1 1 1  -17   11    7 o   23.880   0.3809   24.170   0.5834   23.590   0.4901 0.5796000 0.7619000 
1 1 1  -17   11    8 o   18.160   0.4129   18.270   0.5843   18.060   0.5837 0.2027000 0.8259000 
1 1 1  -17   11    9 o   32.980   0.2942   32.760   0.4111   33.200   0.4209 -0.4447000 0.5883000 
1 1 1  -17   11   10 o   82.370   0.5313   82.100   0.7484   82.630   0.7543 -0.5308000 1.063000 
1 1 1  -17   11   11 o   22.870   0.3468   22.860   0.5071   22.880   0.4733 -0.1396000E-01 0.6937000 
1 1 1  -17   11   12 o   24.330   0.3304   24.030   0.4630   24.630   0.4714 -0.6018000 0.6607000 
1 1 1  -17   11   13 o   39.140   0.3246   38.510   0.4545   39.780   0.4636 -1.267000 0.6492000 
1 1 1  -17   11   14 o   22.470   0.4432   22.670   0.6159   22.260   0.6375 0.4036000 0.8864000 
1 1 1  -17   11   15 o   43.510   0.4044   43.240   0.5722   43.790   0.5717 -0.5465000 0.8088000 
1 1 1  -17   11   16 o   54.980   0.3923   54.840   0.5537   55.130   0.5557 -0.2847000 0.7845000 
1 1 1  -17   11   17 o   37.230   0.3396   37.610   0.4751   36.850   0.4854 0.7622000 0.6792000 
1 1 1  -17   11   18 o   33.510   0.3737   33.020   0.5158   34.000   0.5408 -0.9727000 0.7473000 
1 1 1  -17   11   19 o   30.280   0.3786   30.100   0.5167   30.460   0.5535 -0.3597000 0.7572000 
1 1 1  -17   11   20 o   16.470   0.5827   16.690   0.8233   16.260   0.8248 0.4299000 1.165000 
1 1 1  -17   11   21 o   48.340   0.5720   48.160   0.9759   48.520   0.5972 -0.3689000 1.144000 
1 1 1  -17   11   22 o   24.770   0.4065   24.640   0.6418   24.900   0.4993 -0.2581000 0.8131000 
1 1 1  -17   11   23 o   24.560   0.4101   25.250   0.6468   23.870   0.5044 1.375000 0.8202000 
1 1 1  -17   11   24 o   30.350   0.4005   30.820   0.6054   29.870   0.5244 0.9544000 0.8009000 
1 1 1  -17   11   25 o   5.2270   1.2230   5.1520   1.7780   5.3020   1.6810 -0.1496000 2.447000 
1 1 1  -17   11   26 o   8.3440   0.8543   8.9720   1.0520   7.7160   1.3460 1.256000 1.709000 
1 1 1  -17   11   27 o   7.4670   0.9692   7.8120   1.2540   7.1220   1.4780 0.6897000 1.938000 
1 1 1  -17   11   28 o   16.340   0.4778   16.300   0.6478   16.380   0.7026 -0.8283000E-01 0.9557000 
1 1 1  -17   11   29 o   8.6650   0.9379   8.9320   1.2100   8.3980   1.4330 0.5345000 1.876000 
1 1 1  -17   11   30 o   6.6000   1.2760   8.0800   1.6600   5.1200   1.9370 2.959000 2.551000 
1 1 1  -17   11   31 o   20.100   0.4834   20.190   0.6421   20.020   0.7227 0.1751000 0.9667000 
1 1 1  -17   11   32 o   20.000   0.5711   21.120   0.6874   18.880   0.9123 2.240000 1.142000 
1 1 1  -17   11   33 o   9.5550   1.0150   8.9010   1.4460   10.210   1.4230 -1.308000 2.029000 
1 1 1  -17   11   34 o   10.520   1.1400   11.840   1.2680   9.2020   1.8940 2.642000 2.280000 
1 1 1  -17   11   35 o   5.2570   1.3330   5.7650   1.9000   4.7490   1.8690 1.017000 2.666000 
1 1 1  -17   11   36 o   2.7230   0.9614   3.2470   1.5600   2.1990   1.1240 1.048000 1.923000 
1 1 1  -17   13    1 o   42.940   0.3153   42.600   0.4430   43.280   0.4488 -0.6732000 0.6306000 
1 1 1  -17   13    2 f   30.810   0.2846   30.330   0.3997   31.280   0.4052 -0.9584000 0.5692000 
1 1 1  -17   13    3 o   67.600   0.4423   67.140   0.6217   68.070   0.6295 -0.9224000 0.8847000 
1 1 1  -17   13    4 o   51.780   0.3866   51.290   0.5001   52.270   0.5896 -0.9822000 0.7732000 
1 1 1  -17   13    5 o   35.690   0.3486   37.350   0.4939   34.020   0.4921 3.330000 0.6972000 
1 1 1  -17   13    6 o   52.650   0.3655   52.710   0.5154   52.600   0.5185 0.1009000 0.7311000 
1 1 1  -17   13    7 o   20.000   0.3561   20.700   0.4772   19.300   0.5288 1.396000 0.7122000 
1 1 1  -17   13    8 o   51.970   0.3633   51.430   0.5058   52.500   0.5215 -1.074000 0.7265000 
1 1 1  -17   13    9 o   19.860   0.3896   20.280   0.5293   19.450   0.5719 0.8222000 0.7792000 
1 1 1  -17   13   10 f   27.690   0.3379   27.690   0.4695   27.700   0.4861 -0.1013000E-01 0.6759000 
1 1 1  -17   13   11 o   59.380   0.4758   58.910   0.6671   59.840   0.6785 -0.9285000 0.9515000 
1 1 1  -17   13   12 o   62.650   0.4966   62.210   0.7000   63.100   0.7045 -0.8890000 0.9931000 
1 1 1  -17   13   13 o   20.910   0.4675   20.060   0.6126   21.760   0.7064 -1.699000 0.9350000 
1 1 1  -17   13   14 o   30.400   0.3544   30.900   0.4995   29.890   0.5028 1.004000 0.7087000 
1 1 1  -17   13   15 f   48.130   0.4466   48.100   0.7239   48.160   0.5233 -0.6617000E-01 0.8933000 
1 1 1  -17   13   16 o   9.1990   1.0870   10.030   1.5830   8.3700   1.4910 1.659000 2.174000 
1 1 1  -17   13   17 o   40.220   0.4359   40.330   0.6726   40.110   0.5548 0.2186000 0.8719000 
1 1 1  -17   13   18 o   7.4580   1.2650   8.5190   1.7260   6.3960   1.8510 2.123000 2.531000 
1 1 1  -17   13   19 o   25.070   0.5457   25.220   0.8875   24.910   0.6353 0.3039000 1.091000 
1 1 1  -17   13   20 o   6.5710   1.2190   5.9350   1.8640   7.2080   1.5720 -1.273000 2.438000 
1 1 1  -17   13   21 o   36.950   0.3302   37.390   0.4650   36.520   0.4688 0.8728000 0.6603000 
1 1 1  -17   13   22 o   6.4560   1.1070   7.4310   1.3950   5.4820   1.7200 1.949000 2.215000 
1 1 1  -17   13   23 o   18.980   0.4637   18.900   0.6621   19.060   0.6493 -0.1613000 0.9273000 
1 1 1  -17   13   24 o   3.9200   1.1050   3.3080   1.4520   4.5310   1.6670 -1.223000 2.211000 
1 1 1  -17   13   25 o   11.560   0.6360   10.820   0.9139   12.290   0.8847 -1.468000 1.272000 
1 1 1  -17   13   26 f   4.4020   1.1830   4.1370   1.6100   4.6670   1.7330 -0.5309000 2.366000 
1 1 1  -17   13   27 o   15.770   0.4982   15.780   0.6812   15.770   0.7272 0.5732000E-03 0.9964000 
1 1 1  -17   13   28 o   10.290   0.9687   9.0230   1.5240   11.550   1.1960 -2.528000 1.937000 
1 1 1  -17   13   29 o   5.8610   1.3660   6.5230   1.8930   5.1990   1.9700 1.324000 2.732000 
1 1 1  -17   13   30 o   8.3990   1.0710   8.1390   1.4920   8.6600   1.5360 -0.5202000 2.141000 
1 1 1  -17   13   31 o   3.6020   1.1680   3.8940   1.7100   3.3090   1.5930 0.5854000 2.337000 
1 1 1  -17   13   32 o   9.7330   1.0830   7.9200   1.7650   11.550   1.2570 -3.626000 2.167000 
1 1 1  -17   13   33 o   3.1540   1.0890   2.7980   1.3870   3.5110   1.6790 -0.7136000 2.178000 
1 1 1  -17   13   34 o   8.1270   1.1820   9.6450   1.3810   6.6100   1.9190 3.035000 2.364000 
1 1 1  -17   13   35 o   2.6910   0.9374   2.7460   1.3460   2.6360   1.3050 0.1099000 1.875000 
1 1 1  -17   15    1 o   47.540   0.3469   47.600   0.4908   47.490   0.4904 0.1078000 0.6939000 
1 1 1  -17   15    2 o   32.480   0.3128   31.810   0.4385   33.150   0.4463 -1.337000 0.6257000 
1 1 1  -17   15    3 o   47.460   0.3467   47.380   0.4885   47.530   0.4922 -0.1467000 0.6935000 
1 1 1  -17   15    4 o   38.960   0.3216   39.020   0.4535   38.910   0.4561 0.1119000 0.6432000 
1 1 1  -17   15    5 f   16.310   0.5513   16.570   0.7365   16.060   0.8204 0.5049000 1.103000 
1 1 1  -17   15    6 o   20.350   0.4842   20.730   0.6435   19.980   0.7237 0.7552000 0.9684000 
1 1 1  -17   15    7 o   38.280   0.3897   38.510   0.5395   38.060   0.5624 0.4508000 0.7794000 
1 1 1  -17   15    8 o   88.160   0.7379   87.290   1.1350   89.030   0.9429 -1.738000 1.476000 
1 1 1  -17   15    9 o   38.510   0.5593   38.340   0.9602   38.680   0.5738 -0.3363000 1.119000 
1 1 1  -17   15   10 o   7.7490   1.2960   8.7070   1.8820   6.7910   1.7840 1.916000 2.593000 
1 1 1  -17   15   11 f   14.140   0.8471   11.600   1.4230   16.670   0.9199 -5.077000 1.694000 
1 1 1  -17   15   12 o   55.550   0.4852   54.740   0.7834   56.350   0.5727 -1.611000 0.9704000 
1 1 1  -17   15   13 o   49.660   0.4614   49.420   0.7482   49.890   0.5401 -0.4742000 0.9228000 
1 1 1  -17   15   14 o   25.380   0.4709   24.680   0.7602   26.070   0.5558 -1.388000 0.9417000 
1 1 1  -17   15   15 o   13.640   0.6857   13.880   0.9159   13.400   1.0210 0.4816000 1.371000 
1 1 1  -17   15   16 o   33.120   0.4406   33.080   0.5508   33.160   0.6878 -0.8295000E-01 0.8812000 
1 1 1  -17   15   17 o   31.700   0.4035   31.660   0.5411   31.730   0.5989 -0.6877000E-01 0.8071000 
1 1 1  -17   15   18 o   19.550   0.4414   19.930   0.5816   19.180   0.6640 0.7541000 0.8827000 
1 1 1  -17   15   19 o   7.4310   1.0390   7.4720   1.4150   7.3900   1.5230 0.8193000E-01 2.078000 
1 1 1  -17   15   20 o   14.090   0.5461   14.300   0.7367   13.880   0.8065 0.4187000 1.092000 
1 1 1  -17   15   21 o   8.5910   0.9098   9.9670   1.0130   7.2140   1.5110 2.753000 1.820000 
1 1 1  -17   15   22 o   5.3050   1.2830   4.9420   1.7980   5.6680   1.8320 -0.7254000 2.566000 
1 1 1  -17   15   23 o   17.100   0.4499   17.330   0.6001   16.870   0.6704 0.4648000 0.8997000 
1 1 1  -17   15   24 o   15.830   0.5020   15.330   0.6981   16.330   0.7215 -0.9922000 1.004000 
1 1 1  -17   15   25 o   5.9300   1.1600   6.7170   1.5180   5.1440   1.7540 1.573000 2.320000 
1 1 1  -17   15   26 o   10.320   0.8067   10.520   1.0580   10.130   1.2180 0.3831000 1.613000 
1 1 1  -17   15   27 o   12.090   0.8588   11.970   1.1970   12.210   1.2320 -0.2411000 1.718000 
1 1 1  -17   15   28 o   9.7040   0.9283   9.0930   1.3070   10.320   1.3180 -1.223000 1.857000 
1 1 1  -17   15   29 o   3.6660   1.1510   3.9650   1.6860   3.3670   1.5670 0.5980000 2.301000 
1 1 1  -17   15   30 f   9.1800   1.1950   9.2910   1.5430   9.0690   1.8260 0.2227000 2.391000 
1 1 1  -17   15   31 o   8.6020   1.2590   11.080   1.2930   6.1250   2.1620 4.955000 2.519000 
1 1 1  -17   15   32 o   5.9890   1.3030   7.9940   1.8570   3.9830   1.8280 4.011000 2.606000 
1 1 1  -17   15   33 o   3.9380   1.1800   2.8470   1.3830   5.0280   1.9130 -2.182000 2.361000 
1 1 1  -17   15   34 o   2.9070   0.9888   3.2930   1.5300   2.5210   1.2530 0.7719000 1.978000 
1 1 1  -17   17    1 o   14.430   0.7462   14.600   1.2160   14.260   0.8646 0.3339000 1.492000 
1 1 1  -17   17    2 o   66.170   0.5491   65.700   0.8948   66.640   0.6366 -0.9334000 1.098000 
1 1 1  -17   17    3 o   52.520   0.4698   52.320   0.7675   52.730   0.5422 -0.4087000 0.9397000 
1 1 1  -17   17    4 o   71.190   0.5841   71.530   0.9578   70.850   0.6687 0.6833000 1.168000 
1 1 1  -17   17    5 o   34.830   0.4342   34.850   0.7052   34.810   0.5069 0.4096000E-01 0.8685000 
1 1 1  -17   17    6 o   82.680   0.6647   82.120   1.0820   83.240   0.7727 -1.114000 1.329000 
1 1 1  -17   17    7 o   13.940   0.8034   13.840   1.2970   14.050   0.9489 -0.2063000 1.607000 
1 1 1  -17   17    8 o   16.850   0.5452   16.680   0.7508   17.020   0.7908 -0.3451000 1.090000 
1 1 1  -17   17    9 o   16.710   0.5450   17.160   0.7184   16.250   0.8198 0.9099000 1.090000 
1 1 1  -17   17   10 o   45.400   0.3629   45.470   0.5032   45.330   0.5232 0.1414000 0.7259000 
1 1 1  -17   17   11 o   43.230   0.3576   43.820   0.4977   42.640   0.5138 1.176000 0.7153000 
1 1 1  -17   17   12 o   23.450   0.4231   23.060   0.5907   23.840   0.6058 -0.7800000 0.8461000 
1 1 1  -17   17   13 o   26.790   0.5055   27.370   0.6671   26.220   0.7598 1.148000 1.011000 
1 1 1  -17   17   14 o   17.420   0.6604   17.360   0.8895   17.490   0.9765 -0.1275000 1.321000 
1 1 1  -17   17   15 o   22.280   0.4775   22.930   0.6170   21.640   0.7290 1.287000 0.9551000 
1 1 1  -17   17   16 o   7.4770   1.1130   7.7260   1.4940   7.2290   1.6510 0.4971000 2.226000 
1 1 1  -17   17   17 o   19.330   0.4300   19.450   0.5819   19.210   0.6332 0.2478000 0.8599000 
1 1 1  -17   17   18 o   4.0060   1.1290   4.7100   1.6840   3.3020   1.5050 1.409000 2.258000 
1 1 1  -17   17   19 o   13.660   0.5690   14.280   0.7284   13.040   0.8743 1.236000 1.138000 
1 1 1  -17   17   20 o   13.400   0.6686   14.520   0.8445   12.280   1.0370 2.237000 1.337000 
1 1 1  -17   17   21 f   3.6670   1.1370   4.0340   1.6890   3.3000   1.5220 0.7343000 2.273000 
1 1 1  -17   17   22 o   9.8760   0.7835   9.9320   1.0430   9.8190   1.1700 0.1130000 1.567000 
1 1 1  -17   17   23 o   10.720   0.7359   11.400   0.9284   10.040   1.1420 1.363000 1.472000 
1 1 1  -17   17   24 o   16.480   0.5081   16.920   0.6625   16.050   0.7705 0.8646000 1.016000 
1 1 1  -17   17   25 o   8.8270   1.1740   7.2250   1.8850   10.430   1.3980 -3.204000 2.347000 
1 1 1  -17   17   26 o   9.3830   1.1580   10.340   1.3940   8.4230   1.8500 1.921000 2.316000 
1 1 1  -17   17   27 o   8.4970   1.0750   6.9890   1.6600   10.010   1.3650 -3.016000 2.149000 
1 1 1  -17   17   28 o   9.8380   0.9403   8.9260   1.3890   10.750   1.2680 -1.824000 1.881000 
1 1 1  -17   17   29 o   5.6280   1.3200   7.1290   1.8850   4.1280   1.8490 3.001000 2.641000 
1 1 1  -17   17   30 o   4.7110   1.3390   5.4750   1.9810   3.9460   1.8020 1.530000 2.678000 
1 1 1  -17   17   31 o   8.4350   1.3170   9.5840   1.5550   7.2860   2.1270 2.297000 2.635000 
1 1 1  -17   17   32 o   3.5770   1.1450   3.7750   1.6690   3.3790   1.5690 0.3968000 2.291000 
1 1 1  -17   17   33 o   2.3400   0.8328   2.5860   1.2800   2.0940   1.0650 0.4924000 1.666000 
1 1 1  -17   19    1 o   18.020   0.5048   17.920   0.7118   18.120   0.7161 -0.2003000 1.010000 
1 1 1  -17   19    2 o   12.050   0.7178   12.040   1.0080   12.060   1.0220 -0.1682000E-01 1.436000 
1 1 1  -17   19    3 o   30.890   0.3520   30.990   0.4928   30.790   0.5029 0.2014000 0.7041000 
1 1 1  -17   19    4 o   53.370   0.3884   53.770   0.5505   52.960   0.5482 0.8109000 0.7769000 
1 1 1  -17   19    5 o   51.940   0.3849   51.570   0.5363   52.300   0.5523 -0.7235000 0.7698000 
1 1 1  -17   19    6 o   38.550   0.3549   38.460   0.4888   38.640   0.5146 -0.1847000 0.7098000 
1 1 1  -17   19    7 o   46.580   0.3675   46.430   0.5123   46.740   0.5270 -0.3060000 0.7349000 
1 1 1  -17   19    8 o   30.780   0.4209   30.190   0.5902   31.370   0.6001 -1.176000 0.8417000 
1 1 1  -17   19    9 o   12.800   0.9596   13.110   1.2600   12.500   1.4480 0.6100000 1.919000 
1 1 1  -17   19   10 o   29.530   0.4963   29.520   0.6785   29.530   0.7244 -0.2468000E-02 0.9925000 
1 1 1  -17   19   11 o   23.290   0.5516   24.030   0.7299   22.540   0.8271 1.488000 1.103000 
1 1 1  -17   19   12 o   18.890   0.4572   18.470   0.6311   19.310   0.6616 -0.8410000 0.9143000 
1 1 1  -17   19   13 o   14.590   0.6701   16.550   0.6963   12.630   1.1450 3.923000 1.340000 
1 1 1  -17   19   14 o   16.870   0.4948   15.890   0.7079   17.860   0.6914 -1.968000 0.9896000 
1 1 1  -17   19   15 o   3.1540   1.0210   3.5890   1.5580   2.7180   1.3210 0.8709000 2.043000 
1 1 1  -17   19   16 o   6.5200   1.1220   7.9540   1.3490   5.0850   1.7920 2.869000 2.243000 
1 1 1  -17   19   17 o   15.350   0.5422   15.670   0.7146   15.020   0.8157 0.6429000 1.084000 
1 1 1  -17   19   18 o   5.6880   1.3150   5.5600   1.7970   5.8150   1.9200 -0.2544000 2.630000 
1 1 1  -17   19   19 o   4.2880   1.2380   4.5850   1.7890   3.9920   1.7130 0.5935000 2.476000 
1 1 1  -17   19   20 o   4.6060   1.2090   3.8680   1.6060   5.3430   1.8080 -1.475000 2.418000 
1 1 1  -17   19   21 o   14.720   0.5728   15.550   0.7481   13.890   0.8677 1.656000 1.146000 
1 1 1  -17   19   22 f   23.790   0.3997   24.180   0.5484   23.390   0.5816 0.7842000 0.7994000 
1 1 1  -17   19   23 o   19.540   0.5341   19.470   0.8074   19.610   0.6996 -0.1372000 1.068000 
1 1 1  -17   19   24 o   16.250   0.6992   14.610   1.0770   17.890   0.8926 -3.279000 1.398000 
1 1 1  -17   19   25 o   9.9510   0.9100   10.360   1.1460   9.5460   1.4140 0.8088000 1.820000 
1 1 1  -17   19   26 o   4.8870   1.3050   4.6270   1.7820   5.1480   1.9080 -0.5204000 2.611000 
1 1 1  -17   19   27 o   10.870   0.8630   10.820   1.1370   10.930   1.2990 -0.1105000 1.726000 
1 1 1  -17   19   28 f   3.7120   1.1710   4.5590   1.8680   2.8660   1.4140 1.692000 2.342000 
1 1 1  -17   19   29 f   6.5000   1.5480   6.7800   2.2070   6.2190   2.1710 0.5619000 3.096000 
1 1 1  -17   19   30 o   4.6020   1.3010   4.9470   1.8740   4.2570   1.8050 0.6901000 2.601000 
1 1 1  -17   19   31 o   7.0080   1.2880   7.2170   1.7280   6.7980   1.9110 0.4191000 2.576000 
1 1 1  -17   19   32 o   2.0350   0.7490   2.0060   1.0440   2.0640   1.0740 -0.5761000E-01 1.498000 
1 1 1  -17   21    1 o   10.630   1.1500   7.6570   2.0540   13.610   1.0350 -5.949000 2.300000 
1 1 1  -17   21    2 o   14.510   0.8063   13.840   1.1990   15.180   1.0780 -1.342000 1.613000 
1 1 1  -17   21    3 o   25.220   0.5135   25.370   0.7267   25.060   0.7257 0.3029000 1.027000 
1 1 1  -17   21    4 o   25.880   0.4746   25.620   0.7350   26.150   0.6005 -0.5291000 0.9491000 
1 1 1  -17   21    5 o   29.000   0.3634   29.010   0.4945   28.990   0.5326 0.2686000E-01 0.7268000 
1 1 1  -17   21    6 o   41.320   0.3515   41.890   0.4865   40.750   0.5075 1.134000 0.7030000 
1 1 1  -17   21    7 o   28.530   0.3595   28.380   0.4894   28.690   0.5269 -0.3091000 0.7191000 
1 1 1  -17   21    8 o   29.290   0.3535   29.270   0.4845   29.320   0.5150 -0.5700000E-01 0.7071000 
1 1 1  -17   21    9 o   10.380   0.7799   10.290   1.0560   10.470   1.1480 -0.1790000 1.560000 
1 1 1  -17   21   10 o   8.3780   0.9668   7.8730   1.3760   8.8830   1.3590 -1.010000 1.934000 
1 1 1  -17   21   11 o   21.100   0.4096   20.780   0.5521   21.430   0.6052 -0.6529000 0.8192000 
1 1 1  -17   21   12 o   17.840   0.4594   17.290   0.6207   18.390   0.6774 -1.106000 0.9188000 
1 1 1  -17   21   13 o   20.200   0.4166   20.010   0.5595   20.380   0.6175 -0.3729000 0.8333000 
1 1 1  -17   21   14 o   30.140   0.3391   30.050   0.4592   30.230   0.4990 -0.1830000 0.6781000 
1 1 1  -17   21   15 o   9.9020   0.9304   9.8890   1.3090   9.9160   1.3230 -0.2667000E-01 1.861000 
1 1 1  -17   21   16 o   16.230   0.5744   16.130   0.8167   16.330   0.8080 -0.2011000 1.149000 
1 1 1  -17   21   17 o   9.9990   0.8236   10.090   1.1250   9.9070   1.2030 0.1843000 1.647000 
1 1 1  -17   21   18 o   8.1740   1.0290   8.6050   1.3340   7.7430   1.5680 0.8617000 2.058000 
1 1 1  -17   21   19 o   5.6060   1.1750   7.0430   1.6020   4.1700   1.7200 2.872000 2.350000 
1 1 1  -17   21   20 o   10.590   0.7997   10.970   1.0560   10.210   1.2010 0.7524000 1.599000 
1 1 1  -17   21   21 o   13.990   0.7878   13.110   1.1850   14.880   1.0390 -1.772000 1.576000 
1 1 1  -17   21   22 f   7.1040   1.4080   6.5480   2.0210   7.6600   1.9600 -1.113000 2.815000 
1 1 1  -17   21   23 o   13.020   0.7397   11.240   1.0710   14.810   1.0200 -3.569000 1.479000 
1 1 1  -17   21   24 o   9.1530   1.0190   9.0540   1.3650   9.2510   1.5140 -0.1971000 2.038000 
1 1 1  -17   21   25 o   7.3500   1.2560   7.0810   1.7420   7.6180   1.8110 -0.5376000 2.512000 
1 1 1  -17   21   26 o   5.2190   1.2490   6.5460   1.8160   3.8920   1.7160 2.654000 2.498000 
1 1 1  -17   21   27 o   4.6280   1.3530   5.9540   2.1690   3.3010   1.6180 2.652000 2.706000 
1 1 1  -17   21   28 o   3.3750   1.1220   4.0410   1.7900   2.7090   1.3540 1.332000 2.245000 
1 1 1  -17   21   29 o   3.6180   1.1580   3.8900   1.6960   3.3470   1.5780 0.5436000 2.317000 
1 1 1  -17   21   30 o   2.8640   0.9781   2.3080   1.1580   3.4200   1.5760 -1.112000 1.956000 
1 1 1  -17   23    1 o   8.1440   0.9652   7.5140   1.4630   8.7730   1.2600 -1.259000 1.930000 
1 1 1  -17   23    2 o   35.000   0.3321   34.660   0.4679   35.330   0.4715 -0.6732000 0.6643000 
1 1 1  -17   23    3 f   11.990   0.6405   11.110   0.9606   12.870   0.8476 -1.762000 1.281000 
1 1 1  -17   23    4 o   5.5600   1.1960   4.7940   1.7210   6.3250   1.6620 -1.531000 2.392000 
1 1 1  -17   23    5 o   18.460   0.4515   17.920   0.6269   19.000   0.6499 -1.080000 0.9030000 
1 1 1  -17   23    6 o   16.950   0.4921   17.900   0.6296   16.010   0.7564 1.898000 0.9842000 
1 1 1  -17   23    7 o   12.780   0.6288   13.520   0.7927   12.030   0.9763 1.488000 1.258000 
1 1 1  -17   23    8 f   7.0180   1.1200   8.2830   1.3160   5.7540   1.8110 2.528000 2.239000 
1 1 1  -17   23    9 o   10.710   0.7627   11.150   0.9731   10.260   1.1750 0.8870000 1.525000 
1 1 1  -17   23   10 o   29.970   0.3507   29.520   0.4826   30.420   0.5089 -0.9024000 0.7014000 
1 1 1  -17   23   11 o   12.520   0.7380   12.510   1.0190   12.540   1.0680 -0.2626000E-01 1.476000 
1 1 1  -17   23   12 o   25.780   0.4839   27.470   0.5642   24.080   0.7864 3.381000 0.9679000 
1 1 1  -17   23   13 o   5.1260   1.2650   6.0920   1.7990   4.1600   1.7790 1.932000 2.530000 
1 1 1  -17   23   14 o   6.0440   1.2130   5.8580   1.6370   6.2310   1.7900 -0.3731000 2.425000 
1 1 1  -17   23   15 o   20.370   0.4370   20.350   0.5736   20.400   0.6595 -0.4988000E-01 0.8740000 
1 1 1  -17   23   16 f   15.970   0.5288   16.130   0.6862   15.810   0.8048 0.3197000 1.058000 
1 1 1  -17   23   17 o   11.380   0.7852   12.550   0.9489   10.210   1.2510 2.339000 1.570000 
1 1 1  -17   23   18 o   10.170   1.1230   10.630   1.4960   9.7060   1.6740 0.9223000 2.245000 
1 1 1  -17   23   19 o   6.4230   1.4630   7.6390   2.0630   5.2060   2.0740 2.433000 2.925000 
1 1 1  -17   23   20 o   7.6570   1.1920   7.6550   1.6350   7.6590   1.7360 -0.4290000E-02 2.385000 
1 1 1  -17   23   21 o   9.7500   0.9345   8.9490   1.3760   10.550   1.2650 -1.601000 1.869000 
1 1 1  -17   23   22 o   16.840   0.6035   17.640   0.8251   16.050   0.8810 1.591000 1.207000 
1 1 1  -17   23   23 o   3.5760   1.1540   3.4110   1.5690   3.7410   1.6930 -0.3308000 2.308000 
1 1 1  -17   23   24 o   5.6670   1.2920   7.0690   1.8280   4.2640   1.8270 2.805000 2.584000 
1 1 1  -17   23   25 o   4.1220   1.3320   4.1170   1.8660   4.1260   1.9010 -0.8648000E-02 2.664000 
1 1 1  -17   23   26 o   5.9710   1.4690   5.1020   2.0690   6.8410   2.0860 -1.740000 2.938000 
1 1 1  -17   23   27 o   2.7220   0.9552   2.5930   1.2810   2.8500   1.4180 -0.2569000 1.910000 
1 1 1  -17   23   28 o   2.3180   0.8323   2.2960   1.1580   2.3390   1.1960 -0.4239000E-01 1.665000 
1 1 1  -17   25    1 o   26.330   0.4167   26.400   0.5741   26.260   0.6042 0.1368000 0.8335000 
1 1 1  -17   25    2 o   6.4480   1.1660   8.4960   1.4750   4.4000   1.8070 4.096000 2.333000 
1 1 1  -17   25    3 o   25.040   0.4218   25.210   0.5858   24.880   0.6070 0.3226000 0.8436000 
1 1 1  -17   25    4 o   25.280   0.4237   25.340   0.5860   25.220   0.6123 0.1139000 0.8475000 
1 1 1  -17   25    5 o   16.810   0.5600   16.980   0.7631   16.630   0.8199 0.3455000 1.120000 
1 1 1  -17   25    6 o   24.240   0.4363   24.710   0.5991   23.770   0.6346 0.9407000 0.8727000 
1 1 1  -17   25    7 o   13.050   0.7095   13.160   0.9604   12.930   1.0450 0.2294000 1.419000 
1 1 1  -17   25    8 o   10.870   0.8432   10.300   1.2070   11.450   1.1780 -1.150000 1.686000 
1 1 1  -17   25    9 o   7.5820   1.0950   7.2160   1.5240   7.9470   1.5720 -0.7313000 2.190000 
1 1 1  -17   25   10 f   9.5400   0.8741   8.1270   1.3300   10.950   1.1340 -2.827000 1.748000 
1 1 1  -17   25   11 o   6.0690   1.2360   5.3720   1.7270   6.7650   1.7680 -1.393000 2.471000 
1 1 1  -17   25   12 o   12.710   0.6591   12.760   0.8723   12.660   0.9884 0.1063000 1.318000 
1 1 1  -17   25   13 o   24.770   0.3998   25.160   0.5219   24.390   0.6059 0.7687000 0.7997000 
1 1 1  -17   25   14 o   5.8360   1.4150   5.2930   1.9400   6.3790   2.0600 -1.086000 2.830000 
1 1 1  -17   25   15 o   20.740   0.5449   20.860   0.7368   20.630   0.8031 0.2331000 1.090000 
1 1 1  -17   25   16 o   13.340   0.8241   13.010   1.1270   13.670   1.2030 -0.6643000 1.648000 
1 1 1  -17   25   17 o   3.5490   1.1270   3.6670   1.6070   3.4310   1.5790 0.2355000 2.253000 
1 1 1  -17   25   18 o   7.8590   1.1330   5.9150   1.7960   9.8040   1.3840 -3.889000 2.267000 
1 1 1  -17   25   19 o   3.3900   1.1100   3.3020   1.5330   3.4780   1.6070 -0.1759000 2.221000 
1 1 1  -17   25   20 o   12.200   0.7884   12.470   1.0360   11.920   1.1890 0.5535000 1.577000 
1 1 1  -17   25   21 o   4.4170   1.2650   5.0630   1.8770   3.7700   1.6970 1.293000 2.530000 
1 1 1  -17   25   22 o   4.2340   1.2900   4.6760   1.8680   3.7910   1.7800 0.8852000 2.581000 
1 1 1  -17   25   23 o   5.9680   1.6570   6.2380   2.2080   5.6970   2.4720 0.5411000 3.314000 
1 1 1  -17   25   24 o   4.2380   1.3250   4.4620   1.8640   4.0140   1.8820 0.4477000 2.649000 
1 1 1  -17   25   25 o   3.6570   1.2110   3.0820   1.4660   4.2310   1.9280 -1.149000 2.422000 
1 1 1  -17   25   26 o   2.8260   0.9822   2.1740   1.1010   3.4770   1.6270 -1.302000 1.964000 
1 1 1  -17   27    1 f   5.8620   1.1470   3.9290   1.6660   7.7950   1.5750 -3.865000 2.293000 
1 1 1  -17   27    2 o   6.9980   1.1790   6.4280   1.7260   7.5670   1.6080 -1.139000 2.359000 
1 1 1  -17   27    3 o   30.970   0.3561   31.030   0.4962   30.900   0.5109 0.1275000 0.7122000 
1 1 1  -17   27    4 o   13.220   0.6343   13.380   0.8718   13.050   0.9216 0.3271000 1.269000 
1 1 1  -17   27    5 o   16.870   0.5237   16.530   0.7208   17.200   0.7598 -0.6711000 1.047000 
1 1 1  -17   27    6 o   3.9550   1.1900   3.8260   1.6360   4.0840   1.7290 -0.2583000 2.381000 
1 1 1  -17   27    7 o   6.6830   1.2010   7.9240   1.4760   5.4430   1.8950 2.481000 2.402000 
1 1 1  -17   27    8 o   4.7220   1.3450   4.4820   1.8400   4.9630   1.9620 -0.4812000 2.690000 
1 1 1  -17   27    9 o   8.2490   1.2100   9.0590   1.5100   7.4400   1.8920 1.619000 2.421000 
1 1 1  -17   27   10 o   4.7680   1.3520   4.8060   1.8930   4.7300   1.9300 0.7630000E-01 2.703000 
1 1 1  -17   27   11 o   3.7100   1.2000   4.0470   1.7850   3.3720   1.6030 0.6752000 2.400000 
1 1 1  -17   27   12 o   5.6710   1.3060   5.8410   1.8030   5.5010   1.8920 0.3395000 2.613000 
1 1 1  -17   27   13 o   4.2020   1.1780   5.1160   1.7900   3.2880   1.5320 1.828000 2.355000 
1 1 1  -17   27   14 f   5.8930   1.3100   5.7610   1.8010   6.0260   1.9020 -0.2650000 2.619000 
1 1 1  -17   27   15 f   4.4920   1.2700   4.2250   1.7350   4.7590   1.8550 -0.5336000 2.540000 
1 1 1  -17   27   16 o   8.5800   1.0970   9.4960   1.2820   7.6650   1.7810 1.831000 2.195000 
1 1 1  -17   27   17 o   8.0670   1.2220   11.180   1.1280   4.9540   2.1680 6.225000 2.444000 
1 1 1  -17   27   18 o   4.0570   1.2960   3.7200   1.6570   4.3940   1.9940 -0.6743000 2.592000 
1 1 1  -17   27   19 o   4.4450   1.4470   4.0440   1.8000   4.8460   2.2650 -0.8022000 2.893000 
1 1 1  -17   27   20 o   3.6490   1.2480   3.8120   1.7820   3.4870   1.7480 0.3248000 2.496000 
1 1 1  -17   27   21 o   4.8490   1.3820   4.3750   1.8660   5.3240   2.0400 -0.9490000 2.764000 
1 1 1  -17   27   22 o   4.4390   1.2790   4.8140   1.8590   4.0640   1.7570 0.7507000 2.558000 
1 1 1  -17   27   23 o   2.5900   0.9040   3.1590   1.4840   2.0200   1.0330 1.139000 1.808000 
1 1 1  -17   27   24 o   2.5870   0.9253   2.6420   1.3410   2.5330   1.2750 0.1087000 1.851000 
1 1 1  -17   29    1 o   15.500   0.5675   14.930   0.8151   16.060   0.7898 -1.129000 1.135000 
1 1 1  -17   29    2 o   18.990   0.4799   19.010   0.6643   18.970   0.6928 0.4174000E-01 0.9598000 
1 1 1  -17   29    3 o   13.070   0.6807   13.720   0.8866   12.420   1.0330 1.296000 1.361000 
1 1 1  -17   29    4 o   4.3080   1.2290   4.1580   1.7040   4.4590   1.7720 -0.3010000 2.458000 
1 1 1  -17   29    5 o   14.810   0.6100   15.110   0.8086   14.510   0.9135 0.5999000 1.220000 
1 1 1  -17   29    6 o   9.8460   0.9469   10.860   1.1230   8.8290   1.5250 2.035000 1.894000 
1 1 1  -17   29    7 o   24.680   0.4197   25.230   0.5626   24.130   0.6230 1.100000 0.8394000 
1 1 1  -17   29    8 o   3.5200   1.1330   3.0100   1.4350   4.0300   1.7550 -1.020000 2.266000 
1 1 1  -17   29    9 o   4.1590   1.2320   4.2480   1.7400   4.0690   1.7440 0.1786000 2.463000 
1 1 1  -17   29   10 o   4.0050   1.1780   4.8400   1.7920   3.1690   1.5290 1.671000 2.356000 
1 1 1  -17   29   11 o   5.4180   1.4500   4.7090   1.7960   6.1280   2.2760 -1.419000 2.900000 
1 1 1  -17   29   12 o   5.2900   1.4500   5.0960   1.8510   5.4840   2.2330 -0.3879000 2.900000 
1 1 1  -17   29   13 o   4.3100   1.3250   3.8440   1.6740   4.7760   2.0530 -0.9320000 2.649000 
1 1 1  -17   29   14 o   3.8140   1.2510   3.0800   1.4610   4.5480   2.0310 -1.468000 2.502000 
1 1 1  -17   29   15 o   5.1860   1.4930   4.1930   1.8160   6.1790   2.3690 -1.986000 2.985000 
1 1 1  -17   29   16 o   4.6000   1.3650   5.0660   1.9530   4.1330   1.9070 0.9330000 2.730000 
1 1 1  -17   29   17 f   3.5090   1.1840   3.9070   1.8000   3.1110   1.5380 0.7968000 2.368000 
1 1 1  -17   29   18 o   5.3040   1.2900   6.9960   1.9590   3.6130   1.6790 3.383000 2.580000 
1 1 1  -17   29   19 f   2.5010   0.8803   2.6450   1.3020   2.3570   1.1850 0.2882000 1.761000 
1 1 1  -17   29   20 o   4.0710   1.2290   3.9350   1.7040   4.2070   1.7720 -0.2721000 2.458000 
1 1 1  -17   29   21 o   2.2360   0.8145   2.1660   1.1170   2.3050   1.1850 -0.1381000 1.629000 
1 1 1  -17   31    1 o   4.3740   1.2330   5.4480   1.8890   3.3010   1.5850 2.147000 2.466000 
1 1 1  -17   31    2 o   5.0910   1.3570   4.0120   1.7290   6.1700   2.0930 -2.158000 2.715000 
1 1 1  -17   31    3 o   5.0950   1.4470   4.5300   1.8130   5.6600   2.2560 -1.130000 2.894000 
1 1 1  -17   31    4 o   4.8180   1.4080   4.7210   1.8270   4.9160   2.1430 -0.1949000 2.816000 
1 1 1  -17   31    5 o   10.230   1.2020   10.710   1.1780   9.7440   2.0950 0.9626000 2.403000 
1 1 1  -17   31    6 o   7.7280   1.3580   9.2400   1.3850   6.2170   2.3360 3.023000 2.716000 
1 1 1  -17   31    7 o   4.5010   1.3700   4.3710   1.7900   4.6310   2.0730 -0.2603000 2.739000 
1 1 1  -17   31    8 o   4.9780   1.2680   6.3010   1.8660   3.6550   1.7190 2.647000 2.537000 
1 1 1  -17   31    9 f   3.9040   1.2390   3.5050   1.6260   4.3030   1.8700 -0.7985000 2.478000 
1 1 1  -17   31   10 o   3.9730   1.2560   3.7270   1.6900   4.2200   1.8570 -0.4922000 2.511000 
1 1 1  -17   31   11 o   4.6510   1.4070   5.2680   2.0930   4.0350   1.8820 1.233000 2.814000 
1 1 1  -17   31   12 o   4.8450   1.4430   5.1430   2.0720   4.5460   2.0100 0.5969000 2.887000 
1 1 1  -17   31   13 o   3.3000   1.1090   3.3570   1.5800   3.2430   1.5560 0.1142000 2.218000 
1 1 1  -17   31   14 o   3.0140   1.0370   3.2450   1.5480   2.7840   1.3780 0.4609000 2.073000 
1 1 1  -17   31   15 o   3.6890   1.1560   4.1200   1.7360   3.2590   1.5260 0.8608000 2.311000 
1 1 1  -17   31   16 o   2.3200   0.8269   1.9500   0.9972   2.6890   1.3190 -0.7392000 1.654000 
1 1 1  -17   31   17 o   2.1780   0.7799   2.1990   1.1110   2.1560   1.0950 0.4287000E-01 1.560000 
1 1 1  -17   33    1 o   3.3140   1.0960   3.0120   1.4470   3.6160   1.6470 -0.6037000 2.193000 
1 1 1  -17   33    2 o   5.2380   1.3160   6.7310   2.0240   3.7450   1.6830 2.986000 2.632000 
1 1 1  -17   33    3 o   6.1270   1.4090   6.4230   2.0600   5.8310   1.9240 0.5915000 2.818000 
1 1 1  -17   33    4 o   2.7200   0.9487   2.5340   1.2730   2.9050   1.4070 -0.3710000 1.897000 
1 1 1  -17   33    5 o   4.2000   1.2470   4.3330   1.7850   4.0670   1.7410 0.2664000 2.494000 
1 1 1  -17   33    6 o   3.2260   1.0600   3.7370   1.6480   2.7140   1.3330 1.023000 2.120000 
1 1 1  -17   33    7 o   3.5530   1.1380   3.4430   1.5740   3.6630   1.6440 -0.2198000 2.276000 
1 1 1  -17   33    8 o   2.8810   0.9848   3.0150   1.4400   2.7460   1.3440 0.2685000 1.970000 
1 1 1  -17   33    9 o   2.4380   0.8610   2.4500   1.2210   2.4270   1.2140 0.2299000E-01 1.722000 
1 1 1  -17   33   10 o   2.6510   0.9211   2.2760   1.1460   3.0270   1.4430 -0.7515000 1.842000 
1 1 1  -17   33   11 o   2.4520   0.8639   2.1720   1.0980   2.7330   1.3340 -0.5609000 1.728000 
1 1 1  -16    0    1 o   49.000   0.4416   49.000   0.4416   49.000   0.4416 -0.000000 0.000000 
1 1 1  -16    0    2 o   30.900   0.2906   30.900   0.2906   30.900   0.2906 0.000000 0.000000 
1 1 1  -16    0    3 o  116.400   1.0350  116.400   1.0350  116.400   1.0350 0.000000 0.000000 
1 1 1  -16    0    4 o   9.2480   0.3156   9.2480   0.3156   9.2480   0.3156 0.000000 0.000000 
1 1 1  -16    0    5 o   44.170   0.4634   44.170   0.4634   44.170   0.4634 -0.000000 0.000000 
1 1 1  -16    0    6 o   34.890   0.4651   34.890   0.4651   34.890   0.4651 -0.000000 0.000000 
1 1 1  -16    0    7 o   32.250   0.3107   32.250   0.3107   32.250   0.3107 0.000000 0.000000 
1 1 1  -16    0    8 o   41.150   0.3828   41.150   0.3828   41.150   0.3828 -0.000000 0.000000 
1 1 1  -16    0    9 o   80.480   0.7202   80.480   0.7202   80.480   0.7202 0.000000 0.000000 
1 1 1  -16    0   10 o   5.6760   0.7398   5.6760   0.7398   5.6760   0.7398 0.000000 0.000000 
1 1 1  -16    0   11 o   8.0550   0.8098   8.0550   0.8098   8.0550   0.8098 -0.000000 0.000000 
1 1 1  -16    0   12 o   34.370   0.4933   34.370   0.4933   34.370   0.4933 0.000000 0.000000 
1 1 1  -16    0   13 o   49.900   0.4679   49.900   0.4679   49.900   0.4679 -0.000000 0.000000 
1 1 1  -16    0   14 o   1.4930   1.0420   1.4930   1.0420   1.4930   1.0420 -0.000000 0.000000 
1 1 1  -16    0   15 o   55.050   0.5142   55.050   0.5142   55.050   0.5142 -0.000000 0.000000 
1 1 1  -16    0   16 o   11.040   0.6464   11.040   0.6464   11.040   0.6464 -0.000000 0.000000 
1 1 1  -16    0   17 o   52.180   0.5047   52.180   0.5047   52.180   0.5047 0.000000 0.000000 
1 1 1  -16    0   18 o   1.9230   1.3280   1.9230   1.3280   1.9230   1.3280 -0.000000 0.000000 
1 1 1  -16    0   19 o   6.0780   1.7600   6.0780   1.7600   6.0780   1.7600 0.000000 0.000000 
1 1 1  -16    0   20 o   41.350   0.6420   41.350   0.6420   41.350   0.6420 0.000000 0.000000 
1 1 1  -16    0   21 o   28.080   0.5266   28.080   0.5266   28.080   0.5266 -0.000000 0.000000 
1 1 1  -16    0   22 o   21.910   0.5162   21.910   0.5162   21.910   0.5162 0.000000 0.000000 
1 1 1  -16    0   23 o   31.170   0.4472   31.170   0.4472   31.170   0.4472 -0.000000 0.000000 
1 1 1  -16    0   24 o   13.180   0.7178   13.180   0.7178   13.180   0.7178 0.000000 0.000000 
1 1 1  -16    0   25 o   29.020   0.6688   29.020   0.6688   29.020   0.6688 -0.000000 0.000000 
1 1 1  -16    0   26 o   9.7650   0.9557   9.7650   0.9557   9.7650   0.9557 -0.000000 0.000000 
1 1 1  -16    0   27 o   20.720   0.5064   20.720   0.5064   20.720   0.5064 -0.000000 0.000000 
1 1 1  -16    0   28 o   18.420   0.5570   18.420   0.5570   18.420   0.5570 0.000000 0.000000 
1 1 1  -16    0   29 o   9.0380   1.0870   9.0380   1.0870   9.0380   1.0870 -0.000000 0.000000 
1 1 1  -16    0   30 o   12.810   0.7770   12.810   0.7770   12.810   0.7770 0.000000 0.000000 
1 1 1  -16    0   31 o   15.440   0.7041   15.440   0.7041   15.440   0.7041 -0.000000 0.000000 
1 1 1  -16    0   32 o   16.490   0.6976   16.490   0.6976   16.490   0.6976 0.000000 0.000000 
1 1 1  -16    0   33 o   4.8530   2.5500   4.8530   2.5500   4.8530   2.5500 0.000000 0.000000 
1 1 1  -16    0   34 o   13.720   0.9743   13.720   0.9743   13.720   0.9743 0.000000 0.000000 
1 1 1  -16    0   35 o   1.9160   1.3820   1.9160   1.3820   1.9160   1.3820 0.000000 0.000000 
1 1 1  -16    0   36 o   2.7840   1.8400   2.7840   1.8400   2.7840   1.8400 -0.000000 0.000000 
1 1 1  -16    0   37 o   2.9120   2.0030   2.9120   2.0030   2.9120   2.0030 -0.000000 0.000000 
1 1 1  -16    0   38 o   1.5060   1.1170   1.5060   1.1170   1.5060   1.1170 0.000000 0.000000 
1 1 1  -16    2    1 o   11.160   0.3724   10.900   0.7051   11.410   0.2398 -0.5074000 0.7447000 
1 1 1  -16    2    2 o  100.500   1.2690  100.600   1.7950  100.500   1.7940 0.4934000E-01 2.538000 
1 1 1  -16    2    3 o   29.630   0.3570   29.090   0.5884   30.160   0.4044 -1.067000 0.7140000 
1 1 1  -16    2    4 o   37.170   0.3142   37.560   0.4925   36.780   0.3904 0.7794000 0.6284000 
1 1 1  -16    2    5 o   66.980   0.4592   67.710   0.7010   66.240   0.5934 1.479000 0.9184000 
1 1 1  -16    2    6 o   63.870   0.4685   63.890   0.6623   63.850   0.6627 0.3972000E-01 0.9369000 
1 1 1  -16    2    7 o   25.400   0.2693   23.820   0.3636   26.970   0.3974 -3.157000 0.5387000 
1 1 1  -16    2    8 o   29.910   0.2154   30.390   0.3071   29.440   0.3021 0.9476000 0.4308000 
1 1 1  -16    2    9 o   31.390   0.2252   31.210   0.3178   31.570   0.3193 -0.3617000 0.4504000 
1 1 1  -16    2   10 o   13.650   0.2711   13.770   0.3815   13.530   0.3853 0.2437000 0.5423000 
1 1 1  -16    2   11 o   53.820   0.4036   53.450   0.5675   54.190   0.5740 -0.7372000 0.8072000 
1 1 1  -16    2   12 o   32.260   0.2817   32.120   0.3988   32.390   0.3979 -0.2748000 0.5634000 
1 1 1  -16    2   13 o   34.350   0.2732   33.880   0.4085   34.820   0.3628 -0.9412000 0.5464000 
1 1 1  -16    2   14 o   50.880   0.4186   50.020   0.4729   51.750   0.6909 -1.730000 0.8372000 
1 1 1  -16    2   15 o   29.060   0.2530   29.370   0.3583   28.750   0.3572 0.6248000 0.5059000 
1 1 1  -16    2   16 o   36.640   0.2835   36.480   0.3984   36.800   0.4036 -0.3246000 0.5671000 
1 1 1  -16    2   17 o   78.420   0.5056   78.410   0.7152   78.430   0.7148 -0.2074000E-01 1.011000 
1 1 1  -16    2   18 o   50.650   0.3555   50.600   0.5026   50.700   0.5028 -0.9756000E-01 0.7109000 
1 1 1  -16    2   19 o   48.790   0.3522   48.790   0.4971   48.790   0.4991 -0.3181000E-02 0.7044000 
1 1 1  -16    2   20 o   38.670   0.4412   38.410   0.6200   38.940   0.6279 -0.5309000 0.8825000 
1 1 1  -16    2   21 o   64.020   0.4960   64.130   0.6977   63.910   0.7051 0.2193000 0.9919000 
1 1 1  -16    2   22 o   58.380   0.4011   58.840   0.5712   57.920   0.5633 0.9266000 0.8023000 
1 1 1  -16    2   23 o   28.430   0.3209   28.720   0.4501   28.140   0.4574 0.5817000 0.6417000 
1 1 1  -16    2   24 o   18.290   0.4006   18.540   0.5543   18.030   0.5785 0.5105000 0.8012000 
1 1 1  -16    2   25 o   9.8300   1.1260   7.6580   1.8830   12.000   1.2340 -4.343000 2.251000 
1 1 1  -16    2   26 o   6.4620   1.0300   6.7290   1.3870   6.1950   1.5220 0.5337000 2.059000 
1 1 1  -16    2   27 o   3.1610   0.9970   3.4240   1.4730   2.8980   1.3440 0.5261000 1.994000 
1 1 1  -16    2   28 o   24.800   0.3311   24.850   0.4686   24.760   0.4678 0.9627000E-01 0.6622000 
1 1 1  -16    2   29 o   17.810   0.4090   17.720   0.5768   17.900   0.5800 -0.1788000 0.8180000 
1 1 1  -16    2   30 o   7.9690   0.9447   8.1280   1.2550   7.8100   1.4130 0.3178000 1.889000 
1 1 1  -16    2   31 o   9.0210   0.8571   8.2290   1.2870   9.8120   1.1330 -1.583000 1.714000 
1 1 1  -16    2   32 o   8.2480   1.0010   9.0280   1.2400   7.4690   1.5730 1.560000 2.003000 
1 1 1  -16    2   33 o   4.4590   1.3710   4.3090   1.8850   4.6080   1.9920 -0.2985000 2.743000 
1 1 1  -16    2   34 o   6.3720   1.3030   6.0590   1.8560   6.6840   1.8280 -0.6252000 2.605000 
1 1 1  -16    2   35 o   3.3710   1.1090   2.8840   1.3990   3.8580   1.7210 -0.9740000 2.218000 
1 1 1  -16    2   36 o   5.7460   1.3080   7.2090   1.8600   4.2830   1.8400 2.925000 2.616000 
1 1 1  -16    2   37 o   3.1700   1.1140   3.4400   1.6830   2.8990   1.4590 0.5408000 2.228000 
1 1 1  -16    2   38 o   3.0840   1.0590   3.5690   1.6670   2.5980   1.3060 0.9713000 2.117000 
1 1 1  -16    4    1 o   62.490   0.3975   62.540   0.5625   62.440   0.5618 0.9254000E-01 0.7950000 
1 1 1  -16    4    2 o   79.250   0.5009   78.520   0.7017   79.970   0.7149 -1.448000 1.002000 
1 1 1  -16    4    3 o   55.540   0.3552   55.630   0.5029   55.460   0.5018 0.1697000 0.7104000 
1 1 1  -16    4    4 o   36.440   0.2460   36.670   0.3494   36.200   0.3465 0.4706000 0.4921000 
1 1 1  -16    4    5 o   54.800   0.3520   55.080   0.5003   54.510   0.4953 0.5778000 0.7040000 
1 1 1  -16    4    6 o   41.800   0.3910   40.040   0.5303   43.570   0.5747 -3.532000 0.7820000 
1 1 1  -16    4    7 o   39.900   0.2908   40.570   0.4440   39.240   0.3758 1.324000 0.5817000 
1 1 1  -16    4    8 o   29.050   0.2200   29.450   0.3118   28.660   0.3105 0.7870000 0.4400000 
1 1 1  -16    4    9 o   48.630   0.3680   49.210   0.5251   48.060   0.5158 1.155000 0.7361000 
1 1 1  -16    4   10 o   63.900   0.4738   64.040   0.6710   63.770   0.6690 0.2675000 0.9475000 
1 1 1  -16    4   11 o   15.720   0.3043   15.600   0.4426   15.830   0.4177 -0.2295000 0.6086000 
1 1 1  -16    4   12 o   43.260   0.3434   43.040   0.4852   43.480   0.4862 -0.4364000 0.6869000 
1 1 1  -16    4   13 o   47.810   0.3230   47.850   0.4563   47.770   0.4572 0.8117000E-01 0.6459000 
1 1 1  -16    4   14 o   63.510   0.4134   63.540   0.5845   63.480   0.5849 0.6112000E-01 0.8269000 
1 1 1  -16    4   15 o   58.060   0.3841   57.910   0.5422   58.200   0.5443 -0.2914000 0.7682000 
1 1 1  -16    4   16 o   26.060   0.2789   25.910   0.3896   26.220   0.3990 -0.3065000 0.5577000 
1 1 1  -16    4   17 o   58.300   0.3919   58.540   0.5546   58.070   0.5539 0.4716000 0.7839000 
1 1 1  -16    4   18 o   39.670   0.3167   39.690   0.4427   39.650   0.4530 0.3779000E-01 0.6334000 
1 1 1  -16    4   19 o   22.250   0.4142   22.380   0.5897   22.120   0.5816 0.2591000 0.8283000 
1 1 1  -16    4   20 o   13.610   0.6686   14.560   0.9235   12.660   0.9672 1.904000 1.337000 
1 1 1  -16    4   21 o   45.480   0.3942   45.690   0.5489   45.260   0.5659 0.4362000 0.7884000 
1 1 1  -16    4   22 o   13.630   0.5313   14.220   0.7018   13.040   0.7979 1.184000 1.063000 
1 1 1  -16    4   23 o   18.660   0.3963   19.610   0.5279   17.710   0.5912 1.899000 0.7926000 
1 1 1  -16    4   24 o   23.970   0.3981   23.860   0.5404   24.090   0.5846 -0.2317000 0.7961000 
1 1 1  -16    4   25 o   19.810   0.4418   20.000   0.6448   19.610   0.6041 0.3970000 0.8835000 
1 1 1  -16    4   26 o   13.480   0.5040   13.350   0.7143   13.610   0.7111 -0.2631000 1.008000 
1 1 1  -16    4   27 o   15.930   0.4446   16.060   0.6156   15.810   0.6418 0.2470000 0.8893000 
1 1 1  -16    4   28 o   9.2290   0.7607   9.8340   0.9610   8.6230   1.1790 1.211000 1.521000 
1 1 1  -16    4   29 o   15.450   0.4707   15.670   0.6428   15.230   0.6878 0.4415000 0.9414000 
1 1 1  -16    4   30 o   28.930   0.3329   28.530   0.4673   29.340   0.4744 -0.8177000 0.6659000 
1 1 1  -16    4   31 o   3.8050   1.1240   3.5880   1.5390   4.0230   1.6380 -0.4346000 2.247000 
1 1 1  -16    4   32 o   9.1560   1.0130   9.9080   1.3840   8.4040   1.4790 1.504000 2.026000 
1 1 1  -16    4   33 o   11.460   0.8733   12.060   1.1180   10.870   1.3420 1.192000 1.747000 
1 1 1  -16    4   34 o   4.4000   1.2710   4.0260   1.7180   4.7740   1.8730 -0.7478000 2.542000 
1 1 1  -16    4   35 o   9.7200   0.9935   8.5320   1.5050   10.910   1.2970 -2.375000 1.987000 
1 1 1  -16    4   36 o   9.5100   1.2320   10.450   1.4690   8.5680   1.9780 1.884000 2.464000 
1 1 1  -16    4   37 o   4.2820   1.3130   5.2440   2.0910   3.3200   1.5890 1.923000 2.626000 
1 1 1  -16    6    1 o   70.360   0.5183   70.910   0.7387   69.820   0.7274 1.092000 1.037000 
1 1 1  -16    6    2 o   51.320   0.3614   52.030   0.4791   50.610   0.5413 1.421000 0.7229000 
1 1 1  -16    6    3 f   38.790   0.3095   39.040   0.4390   38.540   0.4365 0.5013000 0.6191000 
1 1 1  -16    6    4 o   66.700   0.4932   66.620   0.6967   66.780   0.6984 -0.1613000 0.9865000 
1 1 1  -16    6    5 o   31.140   0.3040   30.160   0.3797   32.110   0.4748 -1.947000 0.6079000 
1 1 1  -16    6    6 o   52.440   0.3946   52.600   0.5591   52.280   0.5572 0.3203000 0.7893000 
1 1 1  -16    6    7 o   29.770   0.2662   30.420   0.3793   29.120   0.3737 1.293000 0.5325000 
1 1 1  -16    6    8 o   27.000   0.2613   27.380   0.3707   26.610   0.3685 0.7714000 0.5227000 
1 1 1  -16    6    9 o   52.680   0.3470   52.770   0.4907   52.600   0.4907 0.1748000 0.6940000 
1 1 1  -16    6   10 o   59.440   0.3873   59.570   0.5485   59.310   0.5468 0.2670000 0.7745000 
1 1 1  -16    6   11 o   48.350   0.4210   47.720   0.6448   48.970   0.5414 -1.250000 0.8420000 
1 1 1  -16    6   12 o   32.840   0.2598   32.800   0.3649   32.890   0.3700 -0.8455000E-01 0.5196000 
1 1 1  -16    6   13 o   76.430   0.4909   76.660   0.6957   76.210   0.6927 0.4548000 0.9818000 
1 1 1  -16    6   14 o   49.260   0.3384   49.070   0.4762   49.440   0.4809 -0.3668000 0.6768000 
1 1 1  -16    6   15 f   14.020   0.4066   14.310   0.5548   13.740   0.5947 0.5722000 0.8133000 
1 1 1  -16    6   16 o   80.060   0.5163   79.650   0.7262   80.470   0.7342 -0.8208000 1.033000 
1 1 1  -16    6   17 o   3.9260   1.0450   2.9020   1.3310   4.9500   1.6110 -2.048000 2.089000 
1 1 1  -16    6   18 f   29.840   0.3643   29.490   0.5154   30.190   0.5149 -0.7038000 0.7285000 
1 1 1  -16    6   19 o   42.360   0.3867   41.850   0.5457   42.860   0.5479 -1.009000 0.7733000 
1 1 1  -16    6   20 o   8.4310   0.9768   7.8510   1.4120   9.0110   1.3500 -1.160000 1.954000 
1 1 1  -16    6   21 o   50.300   0.3657   50.540   0.5161   50.050   0.5184 0.4968000 0.7315000 
1 1 1  -16    6   22 o   34.410   0.3202   34.690   0.4488   34.120   0.4568 0.5614000 0.6403000 
1 1 1  -16    6   23 o   24.170   0.4018   24.190   0.5351   24.160   0.5995 0.2439000E-01 0.8036000 
1 1 1  -16    6   24 o   11.200   0.7134   11.540   0.9008   10.860   1.1060 0.6817000 1.427000 
1 1 1  -16    6   25 o   11.780   0.6748   11.540   0.9898   12.020   0.9175 -0.4726000 1.350000 
1 1 1  -16    6   26 o   4.9660   1.0970   5.8980   1.5110   4.0330   1.5900 1.866000 2.194000 
1 1 1  -16    6   27 o   12.620   0.5412   12.700   0.7300   12.530   0.7991 0.1724000 1.082000 
1 1 1  -16    6   28 o   4.6560   1.1490   5.0590   1.6150   4.2530   1.6350 0.8056000 2.299000 
1 1 1  -16    6   29 o   25.450   0.3438   25.870   0.4726   25.030   0.4993 0.8438000 0.6875000 
1 1 1  -16    6   30 o   8.9580   0.8235   8.7750   1.1640   9.1420   1.1650 -0.3663000 1.647000 
1 1 1  -16    6   31 o   5.0530   1.2330   5.3460   1.7370   4.7600   1.7520 0.5858000 2.467000 
1 1 1  -16    6   32 o   11.080   0.9252   10.350   1.4170   11.820   1.1900 -1.471000 1.850000 
1 1 1  -16    6   33 o   4.4220   1.2730   5.3540   1.9400   3.4910   1.6500 1.863000 2.547000 
1 1 1  -16    6   34 o   5.0120   1.3550   4.4300   1.8690   5.5950   1.9630 -1.165000 2.710000 
1 1 1  -16    6   35 o   4.3130   1.2950   3.5180   1.6940   5.1070   1.9580 -1.589000 2.589000 
1 1 1  -16    6   36 o   4.0820   1.3410   3.8160   1.8940   4.3480   1.8990 -0.5324000 2.682000 
1 1 1  -16    6   37 o   2.3730   0.8571   2.4410   1.2500   2.3040   1.1730 0.1367000 1.714000 
1 1 1  -16    8    1 o   40.050   0.3181   39.710   0.4468   40.380   0.4529 -0.6740000 0.6362000 
1 1 1  -16    8    2 o   26.250   0.2605   26.430   0.3697   26.070   0.3670 0.3590000 0.5209000 
1 1 1  -16    8    3 o   22.780   0.2610   23.190   0.3660   22.360   0.3722 0.8217000 0.5221000 
1 1 1  -16    8    4 o   49.070   0.3270   49.370   0.4644   48.780   0.4604 0.5866000 0.6540000 
1 1 1  -16    8    5 o   31.290   0.2478   31.670   0.3498   30.910   0.3510 0.7635000 0.4955000 
1 1 1  -16    8    6 o   31.240   0.2513   31.390   0.3565   31.080   0.3542 0.3136000 0.5026000 
1 1 1  -16    8    7 o   50.820   0.3402   50.890   0.4815   50.760   0.4807 0.1276000 0.6803000 
1 1 1  -16    8    8 o   36.070   0.2709   35.690   0.3808   36.460   0.3853 -0.7718000 0.5417000 
1 1 1  -16    8    9 o   53.850   0.3582   54.290   0.5099   53.420   0.5033 0.8668000 0.7165000 
1 1 1  -16    8   10 o   50.160   0.3937   50.860   0.5627   49.460   0.5508 1.406000 0.7874000 
1 1 1  -16    8   11 o   30.230   0.2652   30.190   0.3718   30.280   0.3783 -0.9409000E-01 0.5304000 
1 1 1  -16    8   12 o   71.060   0.4604   71.040   0.6503   71.080   0.6519 -0.4147000E-01 0.9208000 
1 1 1  -16    8   13 o   30.000   0.2779   30.070   0.3885   29.940   0.3974 0.1365000 0.5557000 
1 1 1  -16    8   14 o   22.920   0.3076   22.590   0.4366   23.250   0.4334 -0.6686000 0.6152000 
1 1 1  -16    8   15 o   33.760   0.3012   34.100   0.4232   33.430   0.4287 0.6750000 0.6024000 
1 1 1  -16    8   16 o   38.890   0.3203   39.000   0.4514   38.780   0.4545 0.2210000 0.6406000 
1 1 1  -16    8   17 o   38.580   0.4503   38.510   0.6244   38.650   0.6491 -0.1372000 0.9007000 
1 1 1  -16    8   18 o   26.230   0.3414   26.340   0.4773   26.130   0.4884 0.2140000 0.6829000 
1 1 1  -16    8   19 o   45.480   0.3756   45.960   0.4974   45.010   0.5629 0.9525000 0.7512000 
1 1 1  -16    8   20 o   36.250   0.3672   36.070   0.5047   36.440   0.5336 -0.3673000 0.7345000 
1 1 1  -16    8   21 o   17.480   0.4438   17.580   0.5896   17.380   0.6635 0.2033000 0.8876000 
1 1 1  -16    8   22 o   60.840   0.4832   60.830   0.6784   60.840   0.6884 -0.1275000E-01 0.9665000 
1 1 1  -16    8   23 o   15.170   0.5689   15.120   0.7332   15.220   0.8700 -0.1054000 1.138000 
1 1 1  -16    8   24 o   31.510   0.3248   31.210   0.4526   31.810   0.4659 -0.5921000 0.6496000 
1 1 1  -16    8   25 o   17.270   0.4908   17.530   0.6921   17.010   0.6961 0.5222000 0.9816000 
1 1 1  -16    8   26 o   3.3670   1.0290   2.9320   1.3460   3.8030   1.5580 -0.8706000 2.059000 
1 1 1  -16    8   27 o   13.780   0.5065   13.900   0.6841   13.670   0.7472 0.2361000 1.013000 
1 1 1  -16    8   28 o   11.960   0.5875   11.590   0.8139   12.340   0.8475 -0.7543000 1.175000 
1 1 1  -16    8   29 o   4.9950   1.1680   5.7290   1.6250   4.2620   1.6790 1.468000 2.337000 
1 1 1  -16    8   30 o   8.5790   1.0250   11.110   1.0630   6.0480   1.7530 5.061000 2.050000 
1 1 1  -16    8   31 o   18.310   0.8668   16.660   1.5660   19.950   0.7433 -3.288000 1.734000 
1 1 1  -16    8   32 o   19.420   0.6171   19.780   0.9314   19.060   0.8098 0.7242000 1.234000 
1 1 1  -16    8   33 o   5.6020   1.5070   6.1890   2.2170   5.0140   2.0410 1.176000 3.013000 
1 1 1  -16    8   34 o   7.7240   1.3190   9.1060   1.7370   6.3420   1.9850 2.764000 2.638000 
1 1 1  -16    8   35 o   4.1670   1.2970   3.3830   1.6070   4.9510   2.0370 -1.569000 2.594000 
1 1 1  -16    8   36 o   3.8680   1.2080   3.3760   1.5700   4.3610   1.8370 -0.9845000 2.416000 
1 1 1  -16    8   37 o   2.2620   0.8199   2.1990   1.1240   2.3260   1.1940 -0.1265000 1.640000 
1 1 1  -16   10    1 o   59.310   0.3879   59.420   0.5491   59.210   0.5479 0.2030000 0.7757000 
1 1 1  -16   10    2 o   14.080   0.3360   13.950   0.4799   14.200   0.4705 -0.2579000 0.6721000 
1 1 1  -16   10    3 o   70.340   0.4528   70.040   0.6377   70.630   0.6429 -0.5876000 0.9056000 
1 1 1  -16   10    4 o   28.230   0.2558   28.200   0.3601   28.260   0.3636 -0.6478000E-01 0.5117000 
1 1 1  -16   10    5 o   53.060   0.3546   52.350   0.4947   53.770   0.5083 -1.419000 0.7093000 
1 1 1  -16   10    6 o   34.120   0.2713   34.420   0.3825   33.810   0.3849 0.6086000 0.5427000 
1 1 1  -16   10    7 o   50.390   0.3981   50.390   0.5639   50.400   0.5620 -0.6321000E-02 0.7961000 
1 1 1  -16   10    8 o   76.150   0.5679   76.240   0.8040   76.050   0.8022 0.1867000 1.136000 
1 1 1  -16   10    9 o   35.930   0.3355   35.900   0.4724   35.960   0.4765 -0.5918000E-01 0.6710000 
1 1 1  -16   10   10 o  136.100   0.8610  135.500   1.2120  136.700   1.2230 -1.238000 1.722000 
1 1 1  -16   10   11 o   8.1750   0.7401   7.9970   1.0420   8.3530   1.0510 -0.3558000 1.480000 
1 1 1  -16   10   12 o   24.510   0.3141   24.300   0.4376   24.720   0.4508 -0.4170000 0.6282000 
1 1 1  -16   10   13 o   15.140   0.4422   15.070   0.6130   15.200   0.6375 -0.1302000 0.8844000 
1 1 1  -16   10   14 o   43.900   0.3349   43.930   0.4730   43.880   0.4743 0.4602000E-01 0.6698000 
1 1 1  -16   10   15 o   23.490   0.4373   24.280   0.5922   22.700   0.6435 1.584000 0.8745000 
1 1 1  -16   10   16 o   11.720   0.7899   10.900   1.1640   12.550   1.0680 -1.650000 1.580000 
1 1 1  -16   10   17 f   53.360   0.3819   53.050   0.5365   53.670   0.5435 -0.6198000 0.7637000 
1 1 1  -16   10   18 o   32.380   0.3376   31.840   0.4712   32.930   0.4835 -1.091000 0.6751000 
1 1 1  -16   10   19 o   31.000   0.3725   30.420   0.5165   31.590   0.5370 -1.168000 0.7451000 
1 1 1  -16   10   20 o   26.710   0.3508   27.190   0.4773   26.230   0.5141 0.9626000 0.7015000 
1 1 1  -16   10   21 o   31.490   0.3831   31.620   0.5167   31.350   0.5659 0.2683000 0.7663000 
1 1 1  -16   10   22 o   6.9870   1.2040   6.4320   1.6960   7.5420   1.7100 -1.110000 2.409000 
1 1 1  -16   10   23 o   10.100   0.7067   9.8150   0.9954   10.390   1.0040 -0.5788000 1.413000 
1 1 1  -16   10   24 o   16.770   0.5118   17.350   0.7054   16.190   0.7417 1.161000 1.024000 
1 1 1  -16   10   25 f   12.240   0.5881   13.120   0.7372   11.360   0.9164 1.760000 1.176000 
1 1 1  -16   10   26 o   6.7680   1.1460   7.7440   1.6070   5.7910   1.6350 1.953000 2.292000 
1 1 1  -16   10   27 f   6.0940   1.2150   5.8400   1.8390   6.3490   1.5870 -0.5084000 2.429000 
1 1 1  -16   10   28 o   12.350   0.7140   11.340   1.1730   13.360   0.8146 -2.027000 1.428000 
1 1 1  -16   10   29 o   9.4760   0.9727   11.280   1.2860   7.6750   1.4600 3.601000 1.945000 
1 1 1  -16   10   30 o   10.380   1.1740   10.480   1.9570   10.280   1.2980 0.2032000 2.349000 
1 1 1  -16   10   31 o   6.2430   1.2600   5.5450   1.8180   6.9410   1.7470 -1.396000 2.521000 
1 1 1  -16   10   32 o   16.670   0.6427   16.460   0.8368   16.870   0.9758 -0.4145000 1.285000 
1 1 1  -16   10   33 o   18.940   0.5294   19.420   0.7018   18.460   0.7928 0.9646000 1.059000 
1 1 1  -16   10   34 o   7.2270   1.2210   10.070   1.4860   4.3840   1.9390 5.685000 2.442000 
1 1 1  -16   10   35 o   3.1420   1.0790   2.8940   1.4260   3.3900   1.6190 -0.4964000 2.158000 
1 1 1  -16   10   36 o   2.8560   0.9978   3.2490   1.5620   2.4620   1.2420 0.7871000 1.996000 
1 1 1  -16   12    1 o   58.800   0.4500   58.700   0.6341   58.910   0.6386 -0.2043000 0.9000000 
1 1 1  -16   12    2 f   30.880   0.3156   31.260   0.4424   30.510   0.4502 0.7530000 0.6312000 
1 1 1  -16   12    3 o   39.240   0.3408   39.180   0.4787   39.290   0.4853 -0.1063000 0.6817000 
1 1 1  -16   12    4 o   39.020   0.3423   39.100   0.4821   38.940   0.4860 0.1685000 0.6845000 
1 1 1  -16   12    5 o   27.450   0.3289   27.770   0.4581   27.140   0.4721 0.6306000 0.6579000 
1 1 1  -16   12    6 o   40.270   0.3057   39.890   0.4255   40.650   0.4389 -0.7600000 0.6113000 
1 1 1  -16   12    7 o   35.580   0.3183   35.850   0.4116   35.310   0.4855 0.5400000 0.6365000 
1 1 1  -16   12    8 o   31.970   0.2986   31.620   0.4191   32.320   0.4253 -0.7036000 0.5971000 
1 1 1  -16   12    9 o   68.910   0.4535   68.770   0.6395   69.060   0.6431 -0.2933000 0.9070000 
1 1 1  -16   12   10 o   36.130   0.3101   35.710   0.4323   36.560   0.4446 -0.8472000 0.6201000 
1 1 1  -16   12   11 o   44.960   0.3377   45.180   0.4773   44.740   0.4780 0.4432000 0.6754000 
1 1 1  -16   12   12 o   60.310   0.4118   60.360   0.5819   60.260   0.5829 0.9534000E-01 0.8236000 
1 1 1  -16   12   13 o   32.170   0.3932   31.990   0.5493   32.350   0.5628 -0.3587000 0.7864000 
1 1 1  -16   12   14 o   50.180   0.4314   49.960   0.6078   50.390   0.6123 -0.4287000 0.8627000 
1 1 1  -16   12   15 o   38.270   0.3411   38.140   0.4810   38.400   0.4839 -0.2613000 0.6823000 
1 1 1  -16   12   16 o   70.230   0.4700   70.190   0.6619   70.280   0.6673 -0.8946000E-01 0.9399000 
1 1 1  -16   12   17 o   47.180   0.4412   47.760   0.5159   46.590   0.7160 1.166000 0.8825000 
1 1 1  -16   12   18 o   30.450   0.3835   30.680   0.5238   30.230   0.5604 0.4569000 0.7671000 
1 1 1  -16   12   19 o   24.030   0.3785   24.030   0.5215   24.030   0.5487 -0.6859000E-02 0.7571000 
1 1 1  -16   12   20 f   29.950   0.3958   29.620   0.5322   30.280   0.5859 -0.6614000 0.7915000 
1 1 1  -16   12   21 o   30.100   0.3964   29.970   0.6316   30.230   0.4792 -0.2622000 0.7928000 
1 1 1  -16   12   22 o   14.270   0.5993   14.190   0.9314   14.340   0.7545 -0.1549000 1.199000 
1 1 1  -16   12   23 o   16.530   0.5444   17.410   0.7885   15.640   0.7508 1.775000 1.089000 
1 1 1  -16   12   24 o   13.260   0.6345   14.230   0.9228   12.300   0.8710 1.930000 1.269000 
1 1 1  -16   12   25 o   5.4690   1.2650   5.2440   1.8820   5.6940   1.6900 -0.4497000 2.530000 
1 1 1  -16   12   26 o   6.3700   1.0950   7.4020   1.3550   5.3380   1.7200 2.063000 2.190000 
1 1 1  -16   12   27 o   16.180   0.4840   16.330   0.6565   16.030   0.7114 0.2924000 0.9680000 
1 1 1  -16   12   28 o   6.9730   1.0920   8.3000   1.2650   5.6460   1.7810 2.655000 2.184000 
1 1 1  -16   12   29 o   4.6900   1.2760   3.6320   1.6520   5.7470   1.9450 -2.115000 2.551000 
1 1 1  -16   12   30 o   5.7510   1.1960   7.1070   1.5930   4.3950   1.7850 2.711000 2.392000 
1 1 1  -16   12   31 f   7.5740   1.2110   9.2160   1.3240   5.9310   2.0280 3.285000 2.422000 
1 1 1  -16   12   32 o   5.0830   1.4130   4.6720   1.8900   5.4950   2.1010 -0.8221000 2.826000 
1 1 1  -16   12   33 o   16.940   0.5964   17.490   0.7786   16.390   0.9036 1.095000 1.193000 
1 1 1  -16   12   34 o   3.6610   1.1930   3.0550   1.4880   4.2670   1.8660 -1.212000 2.387000 
1 1 1  -16   12   35 o   2.8980   0.9895   2.3810   1.1930   3.4150   1.5790 -1.034000 1.979000 
1 1 1  -16   14    1 o   35.640   0.2999   35.770   0.4242   35.520   0.4240 0.2507000 0.5998000 
1 1 1  -16   14    2 o   33.910   0.2982   33.860   0.4175   33.960   0.4259 -0.1038000 0.5965000 
1 1 1  -16   14    3 o   30.870   0.2970   30.700   0.4172   31.050   0.4228 -0.3539000 0.5940000 
1 1 1  -16   14    4 o   16.040   0.4195   16.070   0.5812   16.000   0.6052 0.6938000E-01 0.8391000 
1 1 1  -16   14    5 o   44.950   0.3327   45.170   0.4666   44.720   0.4744 0.4533000 0.6654000 
1 1 1  -16   14    6 o   16.930   0.4362   16.720   0.6003   17.130   0.6331 -0.4077000 0.8725000 
1 1 1  -16   14    7 o   87.810   0.5655   87.350   0.7944   88.270   0.8051 -0.9193000 1.131000 
1 1 1  -16   14    8 o   27.600   0.3296   27.210   0.4539   27.980   0.4779 -0.7687000 0.6591000 
1 1 1  -16   14    9 o   37.760   0.3884   38.120   0.5422   37.410   0.5563 0.7088000 0.7768000 
1 1 1  -16   14   10 o   14.620   0.6702   14.370   0.9433   14.870   0.9523 -0.5045000 1.340000 
1 1 1  -16   14   11 o   19.160   0.5483   20.370   0.7313   17.960   0.8171 2.408000 1.097000 
1 1 1  -16   14   12 o   65.310   0.4452   65.220   0.6292   65.400   0.6301 -0.1758000 0.8905000 
1 1 1  -16   14   13 o   21.730   0.4334   21.910   0.6021   21.560   0.6235 0.3553000 0.8667000 
1 1 1  -16   14   14 o   78.540   0.5183   78.550   0.7321   78.530   0.7339 0.1670000E-01 1.037000 
1 1 1  -16   14   15 o   17.770   0.5058   18.060   0.6904   17.480   0.7393 0.5813000 1.012000 
1 1 1  -16   14   16 o   16.160   0.6559   16.230   0.9945   16.090   0.8556 0.1456000 1.312000 
1 1 1  -16   14   17 o   32.870   0.4325   32.960   0.6595   32.780   0.5597 0.1809000 0.8650000 
1 1 1  -16   14   18 o   10.960   1.0800   11.190   1.6310   10.720   1.4170 0.4694000 2.161000 
1 1 1  -16   14   19 o   36.230   0.4090   36.050   0.6512   36.420   0.4950 -0.3708000 0.8180000 
1 1 1  -16   14   20 o   21.540   0.4553   21.380   0.7102   21.700   0.5701 -0.3182000 0.9107000 
1 1 1  -16   14   21 o   20.150   0.4053   19.890   0.5501   20.420   0.5953 -0.5375000 0.8105000 
1 1 1  -16   14   22 o   19.940   0.4632   20.250   0.6438   19.630   0.6661 0.6133000 0.9263000 
1 1 1  -16   14   23 o   6.8930   1.0690   6.0470   1.5740   7.7400   1.4480 -1.693000 2.138000 
1 1 1  -16   14   24 o   19.230   0.4158   19.290   0.5536   19.160   0.6206 0.1279000 0.8317000 
1 1 1  -16   14   25 o   11.010   0.6883   11.020   0.9328   11.010   1.0130 0.1136000E-01 1.377000 
1 1 1  -16   14   26 o   7.1320   1.0980   6.9170   1.4890   7.3470   1.6150 -0.4295000 2.197000 
1 1 1  -16   14   27 o   10.790   0.7707   9.7000   1.1510   11.880   1.0260 -2.181000 1.541000 
1 1 1  -16   14   28 o   11.380   0.8825   10.660   1.3100   12.110   1.1830 -1.454000 1.765000 
1 1 1  -16   14   29 o   4.4410   1.2380   5.0420   1.8010   3.8400   1.6980 1.202000 2.475000 
1 1 1  -16   14   30 o   9.5970   0.9938   9.6920   1.2880   9.5020   1.5140 0.1897000 1.988000 
1 1 1  -16   14   31 o   3.1340   1.0690   3.3290   1.5690   2.9390   1.4520 0.3899000 2.138000 
1 1 1  -16   14   32 o   13.140   0.7606   13.540   0.9774   12.740   1.1660 0.7982000 1.521000 
1 1 1  -16   14   33 o   3.5220   1.1620   4.0750   1.8010   2.9680   1.4680 1.108000 2.323000 
1 1 1  -16   14   34 o   2.5960   0.9120   2.5180   1.2550   2.6740   1.3240 -0.1561000 1.824000 
1 1 1  -16   16    1 o   56.800   0.4548   56.710   0.6424   56.900   0.6440 -0.1863000 0.9096000 
1 1 1  -16   16    2 o   37.740   0.3776   37.500   0.5343   37.980   0.5337 -0.4765000 0.7552000 
1 1 1  -16   16    3 o   44.010   0.4413   45.000   0.5621   43.010   0.6805 1.991000 0.8826000 
1 1 1  -16   16    4 o   45.540   0.4005   45.800   0.5692   45.280   0.5635 0.5215000 0.8009000 
1 1 1  -16   16    5 o   8.1490   1.1970   8.8420   1.5230   7.4560   1.8470 1.386000 2.394000 
1 1 1  -16   16    6 o   34.070   0.3975   34.570   0.5504   33.570   0.5736 1.004000 0.7949000 
1 1 1  -16   16    7 o   41.700   0.3520   41.810   0.4931   41.590   0.5024 0.2221000 0.7040000 
1 1 1  -16   16    8 o   40.060   0.3508   38.970   0.4868   41.140   0.5051 -2.170000 0.7015000 
1 1 1  -16   16    9 o   19.940   0.5524   19.510   0.8944   20.360   0.6484 -0.8503000 1.105000 
1 1 1  -16   16   10 f   46.710   0.4513   47.400   0.7354   46.020   0.5234 1.378000 0.9026000 
1 1 1  -16   16   11 o   23.980   0.4895   23.590   0.7823   24.370   0.5886 -0.7789000 0.9790000 
1 1 1  -16   16   12 o   28.640   0.4483   29.320   0.7040   27.970   0.5552 1.348000 0.8966000 
1 1 1  -16   16   13 o   31.210   0.4370   31.530   0.6945   30.900   0.5307 0.6327000 0.8741000 
1 1 1  -16   16   14 o   25.810   0.4838   25.270   0.7460   26.340   0.6162 -1.076000 0.9675000 
1 1 1  -16   16   15 o   10.070   1.1440   9.7050   1.5970   10.440   1.6380 -0.7327000 2.288000 
1 1 1  -16   16   16 o   9.7440   1.0670   11.060   1.1630   8.4260   1.7890 2.636000 2.134000 
1 1 1  -16   16   17 o   25.500   0.4152   26.130   0.5079   24.870   0.6570 1.257000 0.8304000 
1 1 1  -16   16   18 o   5.2970   1.2250   5.6290   1.6780   4.9650   1.7850 0.6640000 2.449000 
1 1 1  -16   16   19 o   23.250   0.3758   23.220   0.5137   23.280   0.5486 -0.6209000E-01 0.7515000 
1 1 1  -16   16   20 o   18.070   0.4444   18.190   0.6108   17.950   0.6457 0.2429000 0.8888000 
1 1 1  -16   16   21 o   9.5730   0.9159   10.320   1.1440   8.8300   1.4300 1.486000 1.832000 
1 1 1  -16   16   22 o   8.6070   0.8726   9.0850   1.1030   8.1290   1.3520 0.9560000 1.745000 
1 1 1  -16   16   23 o   24.120   0.3692   23.390   0.5152   24.850   0.5290 -1.458000 0.7384000 
1 1 1  -16   16   24 o   5.3930   1.1160   6.9090   1.5000   3.8770   1.6530 3.032000 2.232000 
1 1 1  -16   16   25 o   3.7510   1.1290   4.0470   1.6330   3.4550   1.5600 0.5921000 2.259000 
1 1 1  -16   16   26 o   17.680   0.5913   17.140   0.8633   18.220   0.8081 -1.077000 1.183000 
1 1 1  -16   16   27 f   15.560   0.6904   15.210   0.9585   15.910   0.9941 -0.7061000 1.381000 
1 1 1  -16   16   28 o   16.400   0.5684   16.280   0.7553   16.510   0.8495 -0.2310000 1.137000 
1 1 1  -16   16   29 o   12.300   0.7877   12.930   0.9510   11.680   1.2560 1.248000 1.575000 
1 1 1  -16   16   30 f   5.9700   1.4570   6.0980   1.9840   5.8430   2.1340 0.2543000 2.914000 
1 1 1  -16   16   31 o   8.1030   1.3490   9.7880   1.5850   6.4170   2.1830 3.371000 2.698000 
1 1 1  -16   16   32 o   3.0690   1.0590   3.4290   1.6240   2.7090   1.3600 0.7201000 2.119000 
1 1 1  -16   16   33 o   2.7900   0.9662   2.6230   1.2970   2.9570   1.4330 -0.3337000 1.932000 
1 1 1  -16   18    1 o   25.310   0.4277   25.350   0.6531   25.280   0.5524 0.7184000E-01 0.8554000 
1 1 1  -16   18    2 o   55.170   0.4853   55.170   0.7939   55.180   0.5583 -0.1043000E-01 0.9706000 
1 1 1  -16   18    3 o   22.880   0.5105   23.650   0.8242   22.110   0.6025 1.537000 1.021000 
1 1 1  -16   18    4 o   17.760   0.6302   17.930   1.0320   17.590   0.7235 0.3387000 1.260000 
1 1 1  -16   18    5 o   31.910   0.4448   31.690   0.7228   32.130   0.5186 -0.4404000 0.8896000 
1 1 1  -16   18    6 o   13.740   0.8238   13.700   1.3280   13.770   0.9756 -0.6155000E-01 1.648000 
1 1 1  -16   18    7 o   35.790   0.4383   36.170   0.7063   35.420   0.5192 0.7456000 0.8767000 
1 1 1  -16   18    8 o   52.940   0.4787   52.820   0.7771   53.060   0.5592 -0.2468000 0.9574000 
1 1 1  -16   18    9 o   15.290   0.5873   14.830   0.8178   15.760   0.8432 -0.9366000 1.175000 
1 1 1  -16   18   10 o   31.140   0.3900   31.050   0.5086   31.220   0.5912 -0.1660000 0.7799000 
1 1 1  -16   18   11 f   55.380   0.4610   54.830   0.6451   55.930   0.6588 -1.093000 0.9221000 
1 1 1  -16   18   12 o   24.400   0.5425   24.190   0.7342   24.620   0.7988 -0.4350000 1.085000 
1 1 1  -16   18   13 o   7.2690   1.3210   6.7260   1.8550   7.8130   1.8820 -1.087000 2.642000 
1 1 1  -16   18   14 o   37.540   0.3527   37.660   0.4897   37.420   0.5078 0.2411000 0.7055000 
1 1 1  -16   18   15 o   8.0030   1.0270   7.2190   1.5410   8.7880   1.3580 -1.569000 2.054000 
1 1 1  -16   18   16 o   19.720   0.4318   19.420   0.5983   20.030   0.6228 -0.6141000 0.8637000 
1 1 1  -16   18   17 o   24.090   0.3850   24.890   0.5167   23.290   0.5709 1.600000 0.7701000 
1 1 1  -16   18   18 o   17.650   0.4603   17.640   0.6160   17.660   0.6841 -0.2312000E-01 0.9205000 
1 1 1  -16   18   19 o   5.8100   1.3200   5.5510   1.8430   6.0690   1.8910 -0.5181000 2.641000 
1 1 1  -16   18   20 o   37.950   0.3729   37.830   0.4936   38.080   0.5591 -0.2543000 0.7458000 
1 1 1  -16   18   21 o   21.460   0.4048   21.680   0.5558   21.240   0.5886 0.4432000 0.8096000 
1 1 1  -16   18   22 o   14.000   0.5896   14.750   0.7637   13.250   0.8986 1.494000 1.179000 
1 1 1  -16   18   23 o   13.970   0.5951   14.400   0.7678   13.540   0.9094 0.8589000 1.190000 
1 1 1  -16   18   24 o   7.0740   1.1840   7.4250   1.5660   6.7240   1.7770 0.7014000 2.368000 
1 1 1  -16   18   25 o   7.7490   1.3210   8.3950   1.7440   7.1020   1.9840 1.293000 2.642000 
1 1 1  -16   18   26 o   8.1400   1.0990   8.4800   1.3810   7.8000   1.7100 0.6800000 2.198000 
1 1 1  -16   18   27 o   14.000   0.6557   14.540   0.8313   13.470   1.0140 1.068000 1.311000 
1 1 1  -16   18   28 o   4.1980   1.2440   3.8580   1.6700   4.5390   1.8440 -0.6804000 2.487000 
1 1 1  -16   18   29 o   5.8180   1.4220   5.1330   1.9480   6.5030   2.0720 -1.371000 2.844000 
1 1 1  -16   18   30 o   10.440   1.1030   11.310   1.2910   9.5680   1.7890 1.739000 2.207000 
1 1 1  -16   18   31 o   4.3130   1.2590   3.5580   1.6170   5.0680   1.9300 -1.510000 2.518000 
1 1 1  -16   18   32 o   2.7450   0.9516   2.8440   1.3810   2.6470   1.3100 0.1968000 1.903000 
1 1 1  -16   20    1 o   24.340   0.4637   24.670   0.6606   24.010   0.6509 0.6610000 0.9274000 
1 1 1  -16   20    2 o   26.930   0.4332   26.670   0.6261   27.200   0.5990 -0.5237000 0.8665000 
1 1 1  -16   20    3 f   46.290   0.4196   46.340   0.5973   46.240   0.5896 0.9887000E-01 0.8393000 
1 1 1  -16   20    4 o   27.520   0.4343   27.630   0.6208   27.420   0.6075 0.2141000 0.8686000 
1 1 1  -16   20    5 o   31.050   0.5155   30.730   0.7052   31.370   0.7520 -0.6343000 1.031000 
1 1 1  -16   20    6 o   37.480   0.5041   37.700   0.6888   37.270   0.7362 0.4298000 1.008000 
1 1 1  -16   20    7 o   45.500   0.5171   46.580   0.7220   44.410   0.7405 2.176000 1.034000 
1 1 1  -16   20    8 o   10.010   1.2580   11.000   1.5030   9.0190   2.0190 1.977000 2.517000 
1 1 1  -16   20    9 o   16.750   0.6072   17.810   0.7353   15.690   0.9665 2.123000 1.214000 
1 1 1  -16   20   10 f   7.5080   1.1160   7.5960   1.4700   7.4200   1.6800 0.1754000 2.232000 
1 1 1  -16   20   11 o   7.0630   1.1050   8.5230   1.2720   5.6030   1.8080 2.920000 2.210000 
1 1 1  -16   20   12 o   7.7760   1.0370   8.0380   1.3170   7.5140   1.6030 0.5245000 2.074000 
1 1 1  -16   20   13 o   17.200   0.4624   16.880   0.6315   17.520   0.6755 -0.6436000 0.9247000 
1 1 1  -16   20   14 o   11.560   0.6875   10.840   1.0130   12.270   0.9292 -1.430000 1.375000 
1 1 1  -16   20   15 f   25.870   0.3741   26.070   0.5160   25.670   0.5418 0.4009000 0.7482000 
1 1 1  -16   20   16 o   13.790   0.6628   13.270   0.9507   14.300   0.9240 -1.031000 1.326000 
1 1 1  -16   20   17 o   11.400   0.8165   10.460   1.2530   12.340   1.0470 -1.883000 1.633000 
1 1 1  -16   20   18 o   20.440   0.4362   20.340   0.6078   20.540   0.6258 -0.2023000 0.8724000 
1 1 1  -16   20   19 o   3.4500   1.0920   3.4390   1.5300   3.4620   1.5570 -0.2342000E-01 2.183000 
1 1 1  -16   20   20 o   15.860   0.5302   16.500   0.7081   15.210   0.7893 1.285000 1.060000 
1 1 1  -16   20   21 o   16.690   0.5116   16.140   0.7181   17.250   0.7288 -1.110000 1.023000 
1 1 1  -16   20   22 o   6.2200   1.4420   6.7410   2.0230   5.6990   2.0550 1.042000 2.884000 
1 1 1  -16   20   23 o   6.6450   1.4320   5.6330   2.0320   7.6570   2.0190 -2.024000 2.864000 
1 1 1  -16   20   24 o   15.550   0.5652   15.690   0.7498   15.420   0.8459 0.2702000 1.130000 
1 1 1  -16   20   25 o   9.3500   0.9997   10.100   1.2150   8.5970   1.5880 1.506000 1.999000 
1 1 1  -16   20   26 o   3.5950   1.1550   3.5630   1.6040   3.6270   1.6610 -0.6339000E-01 2.309000 
1 1 1  -16   20   27 o   8.1180   1.2180   10.760   1.3140   5.4770   2.0500 5.282000 2.435000 
1 1 1  -16   20   28 o   3.8640   1.2670   4.1530   1.8630   3.5760   1.7180 0.5770000 2.534000 
1 1 1  -16   20   29 o   3.2070   1.0910   3.6090   1.6720   2.8050   1.4010 0.8044000 2.181000 
1 1 1  -16   20   30 o   4.1420   1.1650   2.6600   1.3090   5.6240   1.9260 -2.964000 2.329000 
1 1 1  -16   20   31 o   2.6490   0.9242   2.4680   1.2280   2.8300   1.3810 -0.3621000 1.848000 
1 1 1  -16   22    1 o   15.290   0.5261   14.660   0.7604   15.920   0.7272 -1.261000 1.052000 
1 1 1  -16   22    2 o   10.500   0.7470   10.950   0.9924   10.050   1.1170 0.9022000 1.494000 
1 1 1  -16   22    3 o   35.940   0.3331   35.310   0.4680   36.560   0.4741 -1.244000 0.6661000 
1 1 1  -16   22    4 o   14.840   0.5328   14.230   0.7674   15.450   0.7394 -1.216000 1.066000 
1 1 1  -16   22    5 o   24.690   0.3791   24.720   0.5140   24.670   0.5574 0.4597000E-01 0.7582000 
1 1 1  -16   22    6 o   19.880   0.4368   19.930   0.5855   19.830   0.6484 0.9745000E-01 0.8736000 
1 1 1  -16   22    7 o   20.000   0.4334   19.910   0.5847   20.090   0.6400 -0.1744000 0.8668000 
1 1 1  -16   22    8 o   19.730   0.4405   19.210   0.6046   20.250   0.6409 -1.042000 0.8810000 
1 1 1  -16   22    9 o   22.150   0.4023   22.180   0.5440   22.130   0.5927 0.4990000E-01 0.8045000 
1 1 1  -16   22   10 o   5.8470   1.2270   5.6190   1.7070   6.0750   1.7620 -0.4559000 2.454000 
1 1 1  -16   22   11 o   23.210   0.3858   23.470   0.5193   22.940   0.5706 0.5278000 0.7715000 
1 1 1  -16   22   12 o   21.760   0.4030   21.580   0.5419   21.930   0.5968 -0.3471000 0.8061000 
1 1 1  -16   22   13 o   22.220   0.4578   22.710   0.6067   21.730   0.6857 0.9804000 0.9155000 
1 1 1  -16   22   14 o   11.130   0.8150   11.580   1.0610   10.680   1.2370 0.8960000 1.630000 
1 1 1  -16   22   15 o   8.6900   1.0140   9.0700   1.2780   8.3090   1.5740 0.7613000 2.028000 
1 1 1  -16   22   16 o   3.1160   1.0310   3.1280   1.4540   3.1040   1.4610 0.2347000E-01 2.062000 
1 1 1  -16   22   17 o   10.210   0.8060   10.380   1.0830   10.030   1.1940 0.3545000 1.612000 
1 1 1  -16   22   18 o   12.980   0.6493   12.520   0.9152   13.440   0.9214 -0.9212000 1.299000 
1 1 1  -16   22   19 o   10.230   0.8694   10.870   1.0870   9.5970   1.3570 1.269000 1.739000 
1 1 1  -16   22   20 o   8.1770   1.3650   7.9980   1.9660   8.3560   1.8950 -0.3582000 2.730000 
1 1 1  -16   22   21 o   18.980   0.6176   18.500   0.8844   19.470   0.8623 -0.9688000 1.235000 
1 1 1  -16   22   22 o   5.4490   1.2470   6.6680   1.7530   4.2300   1.7740 2.438000 2.494000 
1 1 1  -16   22   23 o   10.940   0.8504   11.470   1.0810   10.410   1.3130 1.059000 1.701000 
1 1 1  -16   22   24 o   4.2450   1.2500   3.6000   1.6230   4.8890   1.9020 -1.289000 2.501000 
1 1 1  -16   22   25 o   5.1440   1.3360   3.7800   1.6840   6.5080   2.0750 -2.729000 2.672000 
1 1 1  -16   22   26 o   9.0950   1.3830   7.7830   2.1350   10.410   1.7580 -2.624000 2.765000 
1 1 1  -16   22   27 o   4.8690   1.3790   4.4730   1.8970   5.2640   2.0020 -0.7911000 2.758000 
1 1 1  -16   22   28 o   2.6730   0.9327   2.5920   1.2820   2.7550   1.3550 -0.1631000 1.865000 
1 1 1  -16   22   29 o   2.4840   0.8740   2.6260   1.2920   2.3410   1.1780 0.2850000 1.748000 
1 1 1  -16   24    1 o   23.790   0.3721   23.750   0.5234   23.830   0.5291 -0.7911000E-01 0.7443000 
1 1 1  -16   24    2 o   20.890   0.4016   20.880   0.5644   20.890   0.5714 -0.1037000E-01 0.8032000 
1 1 1  -16   24    3 o   7.9250   1.0090   6.1460   1.6720   9.7030   1.1300 -3.558000 2.018000 
1 1 1  -16   24    4 f   8.6190   0.9049   8.7620   1.2490   8.4750   1.3100 0.2874000 1.810000 
1 1 1  -16   24    5 o   19.430   0.4384   19.210   0.6004   19.650   0.6389 -0.4456000 0.8767000 
1 1 1  -16   24    6 o   9.9150   0.8605   11.080   1.0050   8.7460   1.3970 2.338000 1.721000 
1 1 1  -16   24    7 o   4.5630   1.2780   4.8930   1.8280   4.2320   1.7850 0.6604000 2.555000 
1 1 1  -16   24    8 o   16.990   0.6562   18.140   0.7354   15.840   1.0870 2.304000 1.312000 
1 1 1  -16   24    9 o   5.6680   1.3080   6.4580   1.8040   4.8770   1.8940 1.581000 2.616000 
1 1 1  -16   24   10 o   4.0170   1.2130   4.1450   1.7250   3.8890   1.7070 0.2557000 2.427000 
1 1 1  -16   24   11 o   16.070   0.5806   15.630   0.7972   16.510   0.8442 -0.8806000 1.161000 
1 1 1  -16   24   12 o   6.1190   1.1340   7.6110   1.3920   4.6270   1.7910 2.984000 2.269000 
1 1 1  -16   24   13 o   8.7100   0.9483   8.4400   1.2680   8.9800   1.4110 -0.5399000 1.897000 
1 1 1  -16   24   14 o   14.650   0.5794   15.050   0.7321   14.260   0.8984 0.7860000 1.159000 
1 1 1  -16   24   15 o   11.700   0.7156   10.700   1.0240   12.690   0.9994 -1.994000 1.431000 
1 1 1  -16   24   16 o   13.530   0.6461   13.280   0.8830   13.790   0.9434 -0.5101000 1.292000 
1 1 1  -16   24   17 o   11.230   0.9743   10.880   1.3220   11.580   1.4320 -0.6995000 1.949000 
1 1 1  -16   24   18 o   5.4200   1.4630   5.9010   2.1160   4.9390   2.0210 0.9624000 2.926000 
1 1 1  -16   24   19 o   3.8290   1.1770   4.1440   1.7230   3.5140   1.6040 0.6309000 2.354000 
1 1 1  -16   24   20 o   3.1720   1.0590   3.4270   1.5730   2.9170   1.4190 0.5100000 2.119000 
1 1 1  -16   24   21 o   13.390   0.7120   13.850   0.9227   12.930   1.0850 0.9240000 1.424000 
1 1 1  -16   24   22 o   6.6540   1.3330   5.9520   1.9000   7.3570   1.8690 -1.405000 2.665000 
1 1 1  -16   24   23 o   7.9980   1.2450   9.4070   1.5110   6.5890   1.9790 2.818000 2.490000 
1 1 1  -16   24   24 o   4.4010   1.3160   5.7150   2.1380   3.0860   1.5330 2.629000 2.631000 
1 1 1  -16   24   25 o   4.1890   1.2950   4.5610   1.9050   3.8170   1.7550 0.7442000 2.590000 
1 1 1  -16   24   26 o   3.3120   1.0940   3.0060   1.4360   3.6180   1.6500 -0.6118000 2.188000 
1 1 1  -16   24   27 f   2.3200   0.8294   2.3600   1.1830   2.2810   1.1630 0.7937000E-01 1.659000 
1 1 1  -16   26    1 o   10.430   0.7763   9.9260   1.1510   10.930   1.0420 -1.008000 1.553000 
1 1 1  -16   26    2 o   32.350   0.3461   32.060   0.4918   32.630   0.4871 -0.5735000 0.6921000 
1 1 1  -16   26    3 o   12.530   0.6363   12.330   0.9156   12.740   0.8839 -0.4090000 1.273000 
1 1 1  -16   26    4 o   25.600   0.3694   25.740   0.5165   25.460   0.5283 0.2892000 0.7388000 
1 1 1  -16   26    5 o   8.5930   1.0070   9.9290   1.1150   7.2570   1.6780 2.673000 2.014000 
1 1 1  -16   26    6 o   5.5990   1.1830   4.0180   1.6560   7.1800   1.6900 -3.163000 2.366000 
1 1 1  -16   26    7 o   9.9480   0.8587   10.690   1.0320   9.2100   1.3720 1.477000 1.717000 
1 1 1  -16   26    8 o   4.3800   1.2160   3.6050   1.5740   5.1550   1.8550 -1.550000 2.432000 
1 1 1  -16   26    9 o   8.0530   1.0660   8.1900   1.4040   7.9160   1.6040 0.2739000 2.131000 
1 1 1  -16   26   10 o   10.600   0.8320   11.440   1.0140   9.7570   1.3200 1.683000 1.664000 
1 1 1  -16   26   11 o   6.3080   1.2330   5.5860   1.7560   7.0300   1.7320 -1.444000 2.467000 
1 1 1  -16   26   12 o   13.740   0.7583   13.590   1.0450   13.890   1.1000 -0.2993000 1.517000 
1 1 1  -16   26   13 o   6.7100   1.3870   7.6770   1.8300   5.7430   2.0860 1.935000 2.775000 
1 1 1  -16   26   14 o   10.060   1.0760   10.360   1.3900   9.7650   1.6430 0.5999000 2.152000 
1 1 1  -16   26   15 o   17.970   0.5194   18.630   0.6757   17.310   0.7891 1.320000 1.039000 
1 1 1  -16   26   16 o   4.7190   1.2830   4.9330   1.8110   4.5040   1.8170 0.4297000 2.566000 
1 1 1  -16   26   17 o   4.7460   1.2350   5.8940   1.8410   3.5990   1.6470 2.295000 2.470000 
1 1 1  -16   26   18 o   5.0840   1.1700   2.9270   1.4070   7.2410   1.8680 -4.314000 2.339000 
1 1 1  -16   26   19 o   4.3740   1.2910   4.1840   1.7680   4.5640   1.8810 -0.3795000 2.581000 
1 1 1  -16   26   20 o   9.6920   1.0470   10.700   1.2760   8.6810   1.6600 2.022000 2.094000 
1 1 1  -16   26   21 o   3.8920   1.2850   3.7670   1.7650   4.0170   1.8690 -0.2501000 2.571000 
1 1 1  -16   26   22 o   3.3050   1.1560   3.2460   1.5810   3.3630   1.6880 -0.1170000 2.313000 
1 1 1  -16   26   23 o   3.4870   1.1770   3.1600   1.4970   3.8130   1.8160 -0.6532000 2.353000 
1 1 1  -16   26   24 o   3.3230   1.1270   3.1910   1.5090   3.4540   1.6750 -0.2630000 2.254000 
1 1 1  -16   26   25 o   2.8970   1.0190   2.4100   1.2030   3.3830   1.6450 -0.9736000 2.038000 
1 1 1  -16   28    1 o   12.980   0.7549   12.790   1.0910   13.160   1.0430 -0.3754000 1.510000 
1 1 1  -16   28    2 o   12.800   0.7678   11.540   1.1890   14.050   0.9719 -2.509000 1.536000 
1 1 1  -16   28    3 o   5.2600   1.3230   6.2050   1.9270   4.3150   1.8130 1.891000 2.646000 
1 1 1  -16   28    4 o   10.180   0.9603   10.150   1.3780   10.210   1.3380 -0.6152000E-01 1.921000 
1 1 1  -16   28    5 o   18.090   0.5851   17.610   0.8272   18.570   0.8279 -0.9548000 1.170000 
1 1 1  -16   28    6 o   6.2790   1.3520   5.0150   1.9250   7.5440   1.8990 -2.529000 2.704000 
1 1 1  -16   28    7 o   3.9810   1.2410   3.3410   1.5750   4.6210   1.9170 -1.280000 2.481000 
1 1 1  -16   28    8 o   4.1270   1.2770   3.8810   1.7350   4.3720   1.8740 -0.4907000 2.554000 
1 1 1  -16   28    9 f   4.6510   1.2170   5.6500   1.7980   3.6520   1.6400 1.998000 2.433000 
1 1 1  -16   28   10 o   4.6270   1.2680   4.0600   1.6900   5.1950   1.8900 -1.136000 2.535000 
1 1 1  -16   28   11 o   11.750   0.7739   11.130   1.0840   12.370   1.1050 -1.234000 1.548000 
1 1 1  -16   28   12 o   6.9950   1.2400   7.6910   1.5860   6.3000   1.9070 1.390000 2.481000 
1 1 1  -16   28   13 o   7.7990   1.1510   7.0890   1.7010   8.5090   1.5520 -1.420000 2.303000 
1 1 1  -16   28   14 o   7.5840   1.1730   4.8380   1.9630   10.330   1.2860 -5.494000 2.347000 
1 1 1  -16   28   15 o   10.870   0.8637   11.410   1.0910   10.330   1.3390 1.082000 1.727000 
1 1 1  -16   28   16 o   4.0100   1.2210   4.4740   1.8080   3.5470   1.6410 0.9275000 2.441000 
1 1 1  -16   28   17 o   7.5000   1.3720   6.6180   1.8310   8.3830   2.0440 -1.765000 2.744000 
1 1 1  -16   28   18 f   3.5180   1.2100   3.6750   1.7350   3.3610   1.6880 0.3141000 2.420000 
1 1 1  -16   28   19 o   7.9160   1.5610   9.7420   1.8390   6.0900   2.5230 3.652000 3.122000 
1 1 1  -16   28   20 o   2.8590   0.9987   2.8620   1.3910   2.8560   1.4340 0.5503000E-02 1.997000 
1 1 1  -16   28   21 o   12.890   0.8675   12.270   1.3030   13.500   1.1460 -1.226000 1.735000 
1 1 1  -16   28   22 o   2.4300   0.8600   2.3800   1.1920   2.4790   1.2400 -0.9957000E-01 1.720000 
1 1 1  -16   28   23 o   1.1020   0.4069   1.0970   0.5731   1.1060   0.5778 -0.8856000E-02 0.8138000 
1 1 1  -16   30    1 o   12.220   0.7405   11.650   1.0850   12.780   1.0080 -1.122000 1.481000 
1 1 1  -16   30    2 o   5.5480   1.2910   6.5150   1.8270   4.5810   1.8240 1.933000 2.582000 
1 1 1  -16   30    3 o   9.7810   0.9389   9.4340   1.3750   10.130   1.2790 -0.6945000 1.878000 
1 1 1  -16   30    4 o   11.570   0.8360   11.340   1.0870   11.800   1.2700 -0.4628000 1.672000 
1 1 1  -16   30    5 o   4.4770   1.2760   4.5150   1.7980   4.4390   1.8110 0.7666000E-01 2.552000 
1 1 1  -16   30    6 o   4.2530   1.2420   3.8010   1.6670   4.7060   1.8420 -0.9053000 2.484000 
1 1 1  -16   30    7 f   14.030   0.6565   14.710   0.8599   13.350   0.9923 1.363000 1.313000 
1 1 1  -16   30    8 o   11.350   0.8349   12.290   1.0460   10.420   1.3010 1.867000 1.670000 
1 1 1  -16   30    9 o   4.2850   1.2480   3.8080   1.6640   4.7610   1.8610 -0.9526000 2.497000 
1 1 1  -16   30   10 o   4.0410   1.1910   5.0290   1.8540   3.0530   1.4940 1.976000 2.381000 
1 1 1  -16   30   11 o   4.3240   1.2610   5.1900   1.8740   3.4580   1.6860 1.732000 2.521000 
1 1 1  -16   30   12 o   11.980   0.9740   10.950   1.1990   13.010   1.5350 -2.061000 1.948000 
1 1 1  -16   30   13 f   4.2500   1.3860   3.8690   1.7260   4.6300   2.1700 -0.7612000 2.772000 
1 1 1  -16   30   14 o   5.2310   1.5190   5.8400   2.1210   4.6220   2.1750 1.218000 3.038000 
1 1 1  -16   30   15 o   5.2390   1.3200   7.2660   2.1080   3.2130   1.5870 4.054000 2.639000 
1 1 1  -16   30   16 o   5.1660   1.4070   5.2010   1.9670   5.1310   2.0140 0.6946000E-01 2.815000 
1 1 1  -16   30   17 o   5.8000   1.2710   7.1680   1.7610   4.4320   1.8330 2.736000 2.542000 
1 1 1  -16   30   18 o   3.0710   1.0330   2.8010   1.3580   3.3420   1.5560 -0.5416000 2.065000 
1 1 1  -16   30   19 o   2.3300   0.8279   2.3560   1.1790   2.3050   1.1620 0.5099000E-01 1.656000 
1 1 1  -16   32    1 o   6.5950   1.7150   7.0460   2.2590   6.1440   2.5820 0.9018000 3.431000 
1 1 1  -16   32    2 o   5.2400   1.5810   5.6420   2.2060   4.8370   2.2660 0.8049000 3.162000 
1 1 1  -16   32    3 o   7.1610   1.5830   8.9200   2.0270   5.4020   2.4330 3.518000 3.167000 
1 1 1  -16   32    4 o   5.7720   1.6050   6.6000   2.2290   4.9450   2.3100 1.655000 3.210000 
1 1 1  -16   32    5 o   4.7680   1.5490   3.3140   1.6160   6.2220   2.6440 -2.908000 3.099000 
1 1 1  -16   32    6 o   5.2580   1.6210   4.4200   1.9560   6.0960   2.5860 -1.677000 3.242000 
1 1 1  -16   32    7 o   10.950   1.5800   13.240   1.3640   8.6530   2.8510 4.587000 3.160000 
1 1 1  -16   32    8 o   9.7280   1.3990   11.070   1.6430   8.3880   2.2640 2.682000 2.797000 
1 1 1  -16   32    9 o   3.4150   1.1500   2.9050   1.4460   3.9240   1.7900 -1.019000 2.301000 
1 1 1  -16   32   10 o   3.6570   1.1910   3.9690   1.7650   3.3450   1.5980 0.6236000 2.381000 
1 1 1  -16   32   11 o   3.7510   1.1700   3.2430   1.5220   4.2600   1.7790 -1.017000 2.341000 
1 1 1  -16   32   12 o   2.4000   0.8500   2.4950   1.2400   2.3040   1.1630 0.1907000 1.700000 
1 1 1  -16   32   13 o   1.9500   0.7053   1.9490   0.9959   1.9510   0.9989 -0.2366000E-02 1.411000 
1 1 1  -16   32   14 f   2.3300   0.8275   2.1890   1.1050   2.4720   1.2320 -0.2832000 1.655000 
1 1 1  -16   32   15 o   2.3360   0.8547   2.2900   1.1860   2.3820   1.2310 -0.9126000E-01 1.709000 
1 1 1  -16   34    1 o   2.5370   0.8902   3.0220   1.4400   2.0530   1.0470 0.9695000 1.780000 
1 1 1  -16   34    2 o   2.8530   0.9761   2.6110   1.2870   3.0950   1.4680 -0.4842000 1.952000 
1 1 1  -16   34    3 o   8.0240   1.1190   8.1300   1.5560   7.9170   1.6080 0.2137000 2.238000 
1 1 1  -16   34    4 o   2.9510   1.0000   2.6910   1.3180   3.2110   1.5050 -0.5197000 2.001000 
1 1 1  -16   34    5 o   3.2320   1.0660   3.4620   1.5760   3.0020   1.4350 0.4599000 2.132000 
1 1 1  -16   34    6 o   2.5530   0.8919   2.4920   1.2330   2.6130   1.2890 -0.1211000 1.784000 
1 1 1  -16   34    7 o   2.5560   0.9068   2.7130   1.3410   2.3980   1.2210 0.3151000 1.814000 
1 1 1  -15    1    1 o   26.340   0.2341   26.970   0.3697   25.720   0.2874 1.250000 0.4683000 
1 1 1  -15    1    2 o  138.000   0.9365  136.400   1.4020  139.500   1.2410 -3.085000 1.873000 
1 1 1  -15    1    3 f   83.270   0.5239   82.910   0.7375   83.630   0.7442 -0.7226000 1.048000 
1 1 1  -15    1    4 o   46.020   0.3169   45.930   0.4779   46.120   0.4164 -0.1911000 0.6338000 
1 1 1  -15    1    5 o   44.520   0.3293   44.560   0.4662   44.480   0.4653 0.8346000E-01 0.6586000 
1 1 1  -15    1    6 o   20.370   0.2439   19.700   0.3310   21.050   0.3583 -1.358000 0.4878000 
1 1 1  -15    1    7 o   63.670   0.4042   63.910   0.5739   63.420   0.5693 0.4865000 0.8084000 
1 1 1  -15    1    8 o   54.350   0.3485   54.250   0.4920   54.450   0.4937 -0.1999000 0.6970000 
1 1 1  -15    1    9 o   42.780   0.2823   42.630   0.3981   42.940   0.4003 -0.3099000 0.5645000 
1 1 1  -15    1   10 o   52.390   0.3392   52.200   0.4784   52.580   0.4811 -0.3798000 0.6785000 
1 1 1  -15    1   11 o   70.230   0.6348   70.100   0.8964   70.370   0.8991 -0.2612000 1.270000 
1 1 1  -15    1   12 o   8.8070   0.4658   9.2380   0.6458   8.3770   0.6715 0.8609000 0.9316000 
1 1 1  -15    1   13 o   18.030   0.2476   18.270   0.3445   17.800   0.3559 0.4739000 0.4953000 
1 1 1  -15    1   14 o   13.060   0.3335   13.330   0.4491   12.790   0.4931 0.5425000 0.6669000 
1 1 1  -15    1   15 o   31.360   0.2762   32.090   0.3667   30.630   0.4131 1.458000 0.5524000 
1 1 1  -15    1   16 o   36.460   0.2812   36.390   0.3983   36.540   0.3971 -0.1581000 0.5625000 
1 1 1  -15    1   17 o   55.600   0.3742   55.790   0.5308   55.410   0.5277 0.3855000 0.7485000 
1 1 1  -15    1   18 o   53.850   0.3687   53.960   0.5219   53.730   0.5209 0.2311000 0.7374000 
1 1 1  -15    1   19 o   65.140   0.4336   65.500   0.6157   64.790   0.6108 0.7087000 0.8672000 
1 1 1  -15    1   20 f   17.460   0.5796   17.380   0.8149   17.550   0.8246 -0.1764000 1.159000 
1 1 1  -15    1   21 o   49.150   0.3850   49.370   0.5783   48.930   0.5085 0.4408000 0.7701000 
1 1 1  -15    1   22 o   12.780   0.5732   13.100   0.7805   12.450   0.8396 0.6453000 1.146000 
1 1 1  -15    1   23 o   19.340   0.3932   19.200   0.5510   19.480   0.5610 -0.2863000 0.7863000 
1 1 1  -15    1   24 o   22.290   0.3508   22.540   0.4851   22.050   0.5069 0.4826000 0.7016000 
1 1 1  -15    1   25 o   7.8980   1.9180  ?   ?    7.8980   1.9180      ?      ? 
1 1 1  -15    1   26 o   11.700   0.5693   11.990   0.7795   11.420   0.8301 0.5779000 1.139000 
1 1 1  -15    1   27 o   13.480   0.4975   13.750   0.6964   13.220   0.7108 0.5325000 0.9951000 
1 1 1  -15    1   28 f   26.150   0.3215   26.010   0.4504   26.280   0.4588 -0.2700000 0.6429000 
1 1 1  -15    1   29 o   9.7750   0.7068   9.9350   1.0050   9.6150   0.9942 0.3200000 1.414000 
1 1 1  -15    1   30 o   19.000   0.4064   18.820   0.5618   19.180   0.5874 -0.3532000 0.8128000 
1 1 1  -15    1   31 o   7.3040   1.0410   9.0860   1.1530   5.5220   1.7330 3.564000 2.082000 
1 1 1  -15    1   32 o   8.6510   0.9360   8.7650   1.2750   8.5360   1.3710 0.2293000 1.872000 
1 1 1  -15    1   33 o   16.090   0.7755   15.720   1.1300   16.450   1.0630 -0.7293000 1.551000 
1 1 1  -15    1   34 o   5.8940   1.2330   7.6350   1.7240   4.1540   1.7630 3.481000 2.466000 
1 1 1  -15    1   35 o   6.1770   1.3480   5.7860   1.9340   6.5680   1.8790 -0.7816000 2.697000 
1 1 1  -15    1   36 o   2.7580   0.9631   2.7750   1.3680   2.7410   1.3560 0.3474000E-01 1.926000 
1 1 1  -15    1   37 o   3.5540   1.2200   3.5860   1.7300   3.5220   1.7210 0.6394000E-01 2.440000 
1 1 1  -15    1   38 o   2.0900   0.7571   2.1230   1.0890   2.0570   1.0520 0.6544000E-01 1.514000 
1 1 1  -15    3    1 o   35.540   0.3023   35.820   0.4734   35.260   0.3762 0.5590000 0.6047000 
1 1 1  -15    3    2 f  107.000   1.1020  106.800   1.9070  107.100   1.1030 -0.2903000 2.203000 
1 1 1  -15    3    3 o   72.590   0.4954   72.010   0.7443   73.160   0.6539 -1.142000 0.9907000 
1 1 1  -15    3    4 o   39.300   0.2575   39.540   0.3657   39.050   0.3626 0.4931000 0.5150000 
1 1 1  -15    3    5 o   43.310   0.2820   43.580   0.4007   43.050   0.3970 0.5232000 0.5641000 
1 1 1  -15    3    6 o   27.600   0.2344   27.860   0.3297   27.350   0.3332 0.5156000 0.4687000 
1 1 1  -15    3    7 o   32.440   0.2633   32.720   0.3723   32.170   0.3725 0.5451000 0.5267000 
1 1 1  -15    3    8 o   44.730   0.2942   44.590   0.4145   44.870   0.4175 -0.2747000 0.5883000 
1 1 1  -15    3    9 o   45.890   0.3029   45.760   0.4274   46.020   0.4293 -0.2605000 0.6057000 
1 1 1  -15    3   10 f   27.850   0.2497   27.990   0.3550   27.700   0.3512 0.2953000 0.4994000 
1 1 1  -15    3   11 o   63.910   0.4751   63.710   0.6701   64.120   0.6736 -0.4069000 0.9501000 
1 1 1  -15    3   12 o   44.560   0.3481   44.650   0.4940   44.470   0.4907 0.1747000 0.6963000 
1 1 1  -15    3   13 o   24.680   0.2349   24.560   0.3296   24.810   0.3349 -0.2563000 0.4699000 
1 1 1  -15    3   14 o   25.710   0.2612   25.660   0.3870   25.760   0.3509 -0.9785000E-01 0.5224000 
1 1 1  -15    3   15 o   70.680   0.4561   70.320   0.6422   71.030   0.6480 -0.7081000 0.9123000 
1 1 1  -15    3   16 f   47.890   0.3325   47.870   0.4692   47.920   0.4713 -0.5769000E-01 0.6651000 
1 1 1  -15    3   17 o   39.270   0.3029   39.130   0.4263   39.410   0.4306 -0.2784000 0.6059000 
1 1 1  -15    3   18 o   13.240   0.4903   13.000   0.6884   13.480   0.6984 -0.4814000 0.9807000 
1 1 1  -15    3   19 o   36.750   0.3625   36.950   0.5117   36.550   0.5135 0.3972000 0.7250000 
1 1 1  -15    3   20 o   21.970   0.7062  ?   ?    21.970   0.7062      ?      ? 
1 1 1  -15    3   21 o   16.120   0.5231   16.890   0.6710   15.350   0.8026 1.546000 1.046000 
1 1 1  -15    3   22 o   16.920   0.4421   17.130   0.6068   16.700   0.6432 0.4294000 0.8842000 
1 1 1  -15    3   23 f   7.9070   0.9010   7.6910   1.2780   8.1230   1.2700 -0.4320000 1.802000 
1 1 1  -15    3   24 o   8.3890   1.0100   6.0420   1.6550   10.730   1.1600 -4.693000 2.021000 
1 1 1  -15    3   25 o   11.220   0.9099   10.960   1.3110   11.480   1.2620 -0.5154000 1.820000 
1 1 1  -15    3   26 o   13.350   0.5179   12.890   0.7456   13.800   0.7191 -0.9151000 1.036000 
1 1 1  -15    3   27 f   13.860   0.4997   14.110   0.6688   13.610   0.7426 0.5043000 0.9993000 
1 1 1  -15    3   28 o   20.970   0.3649   20.940   0.5024   21.000   0.5294 -0.6726000E-01 0.7299000 
1 1 1  -15    3   29 o   6.1600   1.1030   6.8660   1.4270   5.4530   1.6820 1.413000 2.206000 
1 1 1  -15    3   30 o   16.370   0.4622   16.410   0.6376   16.330   0.6693 0.7862000E-01 0.9244000 
1 1 1  -15    3   31 o   10.350   0.7413   9.9900   1.0750   10.700   1.0200 -0.7129000 1.483000 
1 1 1  -15    3   32 o   8.7560   1.0950   10.390   1.2880   7.1230   1.7710 3.266000 2.190000 
1 1 1  -15    3   33 f   8.6380   1.1940   9.1650   1.4680   8.1100   1.8830 1.055000 2.388000 
1 1 1  -15    3   34 o   3.1640   1.0560   3.3180   1.5360   3.0100   1.4500 0.3079000 2.112000 
1 1 1  -15    3   35 o   5.5910   1.3670   5.1000   1.9030   6.0810   1.9630 -0.9802000 2.734000 
1 1 1  -15    3   36 o   4.2500   1.2780   5.4010   2.0560   3.1000   1.5180 2.301000 2.556000 
1 1 1  -15    3   37 o   3.3320   1.1580   3.7740   1.7980   2.8910   1.4590 0.8822000 2.315000 
1 1 1  -15    5    1 o   59.610   0.3809   59.530   0.5381   59.680   0.5393 -0.1446000 0.7618000 
1 1 1  -15    5    2 o   60.810   0.3884   61.480   0.5548   60.150   0.5435 1.338000 0.7767000 
1 1 1  -15    5    3 o   39.230   0.2640   39.400   0.3744   39.050   0.3722 0.3479000 0.5279000 
1 1 1  -15    5    4 o   74.810   0.4748   75.230   0.6750   74.390   0.6679 0.8368000 0.9496000 
1 1 1  -15    5    5 o   77.480   0.5683   77.460   0.8031   77.500   0.8042 -0.4527000E-01 1.137000 
1 1 1  -15    5    6 o   4.7560   0.7375   5.9340   0.8517   3.5780   1.2040 2.356000 1.475000 
1 1 1  -15    5    7 o   8.7690   0.3700   8.7150   0.5193   8.8230   0.5272 -0.1082000 0.7400000 
1 1 1  -15    5    8 o   33.860   0.2795   33.990   0.3957   33.720   0.3949 0.2690000 0.5590000 
1 1 1  -15    5    9 o   11.040   0.3638   10.690   0.5197   11.380   0.5091 -0.6899000 0.7275000 
1 1 1  -15    5   10 o   48.110   0.3203   48.420   0.4547   47.800   0.4511 0.6160000 0.6405000 
1 1 1  -15    5   11 o   5.9210   0.7842   5.3200   1.2160   6.5210   0.9911 -1.200000 1.568000 
1 1 1  -15    5   12 o   59.800   0.4510   59.450   0.6348   60.150   0.6407 -0.6931000 0.9019000 
1 1 1  -15    5   13 o   8.1440   0.5399   7.8430   0.7783   8.4450   0.7484 -0.6018000 1.080000 
1 1 1  -15    5   14 o   52.350   0.3513   52.130   0.4941   52.570   0.4997 -0.4345000 0.7027000 
1 1 1  -15    5   15 o   28.980   0.2699   28.560   0.3802   29.400   0.3832 -0.8390000 0.5398000 
1 1 1  -15    5   16 o   33.520   0.2863   33.250   0.4046   33.790   0.4053 -0.5401000 0.5726000 
1 1 1  -15    5   17 o   28.800   0.2962   29.090   0.4100   28.510   0.4277 0.5767000 0.5925000 
1 1 1  -15    5   18 f   28.670   0.3188   28.910   0.4424   28.440   0.4590 0.4737000 0.6375000 
1 1 1  -15    5   19 o   60.110   0.4727   60.360   0.6720   59.860   0.6650 0.5019000 0.9454000 
1 1 1  -15    5   20 o   46.660   0.3979   46.750   0.5549   46.580   0.5705 0.1758000 0.7958000 
1 1 1  -15    5   21 o   67.920   0.4540   68.050   0.6423   67.800   0.6419 0.2488000 0.9081000 
1 1 1  -15    5   22 o   40.180   0.3287   40.300   0.4630   40.070   0.4666 0.2295000 0.6573000 
1 1 1  -15    5   23 o   22.960   0.3493   22.890   0.4849   23.040   0.5029 -0.1511000 0.6986000 
1 1 1  -15    5   24 o   10.300   0.7863   10.590   1.0010   10.010   1.2130 0.5775000 1.573000 
1 1 1  -15    5   25 o   23.560   0.4045   23.910   0.5740   23.210   0.5700 0.7003000 0.8090000 
1 1 1  -15    5   26 o   15.510   0.4531   15.600   0.6186   15.420   0.6621 0.1879000 0.9062000 
1 1 1  -15    5   27 o   29.830   0.3193   30.030   0.4465   29.630   0.4565 0.3998000 0.6385000 
1 1 1  -15    5   28 o   7.0510   0.9850   7.0910   1.3410   7.0120   1.4430 0.7944000E-01 1.970000 
1 1 1  -15    5   29 o   13.690   0.5287   13.610   0.7459   13.780   0.7494 -0.1743000 1.057000 
1 1 1  -15    5   30 o   17.850   0.4439   18.670   0.5845   17.040   0.6681 1.624000 0.8877000 
1 1 1  -15    5   31 o   11.880   0.6486   11.270   0.9481   12.490   0.8854 -1.221000 1.297000 
1 1 1  -15    5   32 o   4.0080   1.2340   3.6610   1.6740   4.3560   1.8120 -0.6955000 2.467000 
1 1 1  -15    5   33 o   6.8520   1.3650   7.1500   1.8320   6.5540   2.0250 0.5962000 2.730000 
1 1 1  -15    5   34 o   7.4360   1.2220   8.8070   1.4780   6.0650   1.9460 2.742000 2.444000 
1 1 1  -15    5   35 o   6.6930   1.3060   7.8280   1.7120   5.5580   1.9730 2.270000 2.612000 
1 1 1  -15    5   36 o   5.6800   1.4810   5.1160   2.0150   6.2440   2.1720 -1.128000 2.963000 
1 1 1  -15    5   37 o   3.1480   1.0830   2.9560   1.4590   3.3400   1.6020 -0.3840000 2.167000 
1 1 1  -15    7    1 o   57.160   0.5235   57.680   0.7461   56.630   0.7347 1.049000 1.047000 
1 1 1  -15    7    2 o   73.340   0.6618   73.470   0.9368   73.220   0.9352 0.2562000 1.324000 
1 1 1  -15    7    3 o   43.880   0.4179   44.070   0.5918   43.690   0.5902 0.3758000 0.8358000 
1 1 1  -15    7    4 o   28.800   0.2646   29.920   0.3769   27.670   0.3714 2.247000 0.5291000 
1 1 1  -15    7    5 o   32.480   0.2803   32.210   0.3936   32.760   0.3992 -0.5518000 0.5606000 
1 1 1  -15    7    6 o   26.010   0.2633   26.480   0.3735   25.550   0.3711 0.9211000 0.5265000 
1 1 1  -15    7    7 o   27.870   0.2373   27.950   0.3354   27.780   0.3357 0.1646000 0.4745000 
1 1 1  -15    7    8 o   38.530   0.2748   38.530   0.3873   38.520   0.3901 0.8965000E-02 0.5497000 
1 1 1  -15    7    9 o   17.810   0.2671   17.300   0.3805   18.330   0.3750 -1.032000 0.5342000 
1 1 1  -15    7   10 f   29.610   0.2940   29.760   0.4172   29.470   0.4145 0.2920000 0.5881000 
1 1 1  -15    7   11 o   51.550   0.4008   51.790   0.5692   51.310   0.5645 0.4811000 0.8017000 
1 1 1  -15    7   12 o   43.300   0.3067   43.320   0.4322   43.270   0.4351 0.5352000E-01 0.6133000 
1 1 1  -15    7   13 o   81.670   0.5237   81.450   0.7382   81.890   0.7432 -0.4407000 1.047000 
1 1 1  -15    7   14 o   4.9270   1.0100   5.3290   1.3760   4.5250   1.4790 0.8040000 2.020000 
1 1 1  -15    7   15 o   66.220   0.4357   65.970   0.6141   66.470   0.6183 -0.5065000 0.8715000 
1 1 1  -15    7   16 o   43.640   0.3268   43.750   0.4596   43.520   0.4647 0.2358000 0.6536000 
1 1 1  -15    7   17 o   24.520   0.3906   24.540   0.5449   24.490   0.5598 0.5361000E-01 0.7812000 
1 1 1  -15    7   18 o   40.280   0.3806   40.140   0.5347   40.420   0.5417 -0.2748000 0.7611000 
1 1 1  -15    7   19 o   55.620   0.3897   55.820   0.5491   55.420   0.5532 0.4003000 0.7795000 
1 1 1  -15    7   20 o   36.340   0.3702   36.500   0.5085   36.170   0.5381 0.3314000 0.7404000 
1 1 1  -15    7   21 o   32.240   0.3237   31.550   0.4482   32.930   0.4671 -1.382000 0.6473000 
1 1 1  -15    7   22 o   26.270   0.3389   26.570   0.4646   25.980   0.4934 0.5898000 0.6777000 
1 1 1  -15    7   23 o   30.910   0.3691   30.870   0.5038   30.950   0.5396 -0.8276000E-01 0.7382000 
1 1 1  -15    7   24 o   7.7930   0.9146   8.9750   1.0120   6.6110   1.5240 2.364000 1.829000 
1 1 1  -15    7   25 o   22.450   0.4087   22.530   0.5786   22.370   0.5774 0.1591000 0.8174000 
1 1 1  -15    7   26 o   11.400   0.5934   10.360   0.8881   12.450   0.7873 -2.094000 1.187000 
1 1 1  -15    7   27 o   27.330   0.3500   27.140   0.4500   27.530   0.5361 -0.3946000 0.6999000 
1 1 1  -15    7   28 o   3.6230   1.0600   2.8460   1.3250   4.4000   1.6560 -1.555000 2.121000 
1 1 1  -15    7   29 o   13.160   0.5539   13.880   0.7245   12.430   0.8380 1.450000 1.108000 
1 1 1  -15    7   30 o   12.270   0.6238   13.040   0.8160   11.510   0.9438 1.532000 1.248000 
1 1 1  -15    7   31 o   8.7860   1.0900   9.0530   1.5130   8.5180   1.5690 0.5343000 2.180000 
1 1 1  -15    7   32 o   8.1470   1.1880   8.2540   1.4910   8.0410   1.8490 0.2128000 2.376000 
1 1 1  -15    7   33 o   4.9940   1.4230   4.3520   1.9380   5.6370   2.0840 -1.285000 2.846000 
1 1 1  -15    7   34 o   3.9330   1.2270   3.9510   1.7190   3.9140   1.7520 0.3737000E-01 2.455000 
1 1 1  -15    7   35 o   5.3440   1.5100   4.9590   2.1230   5.7280   2.1470 -0.7692000 3.020000 
1 1 1  -15    7   36 o   3.1750   1.1280   3.4470   1.7350   2.9040   1.4410 0.5433000 2.255000 
1 1 1  -15    7   37 o   2.7500   0.9747   2.5510   1.2990   2.9500   1.4540 -0.3986000 1.949000 
1 1 1  -15    9    1 o   52.410   0.3463   52.540   0.4904   52.280   0.4891 0.2655000 0.6926000 
1 1 1  -15    9    2 o   28.940   0.2416   28.960   0.3417   28.910   0.3416 0.4639000E-01 0.4832000 
1 1 1  -15    9    3 o   49.360   0.3298   48.990   0.4635   49.720   0.4694 -0.7262000 0.6596000 
1 1 1  -15    9    4 o   12.140   0.3727   12.730   0.4974   11.560   0.5552 1.163000 0.7454000 
1 1 1  -15    9    5 o   14.060   0.3373   13.200   0.4878   14.920   0.4661 -1.722000 0.6747000 
1 1 1  -15    9    6 o   40.120   0.3116   39.400   0.4676   40.850   0.4118 -1.451000 0.6231000 
1 1 1  -15    9    7 o   54.770   0.3638   54.640   0.5131   54.900   0.5158 -0.2620000 0.7276000 
1 1 1  -15    9    8 o   43.090   0.3531   43.360   0.5015   42.810   0.4972 0.5553000 0.7062000 
1 1 1  -15    9    9 o   24.640   0.3146   24.520   0.4409   24.750   0.4489 -0.2254000 0.6292000 
1 1 1  -15    9   10 o   53.240   0.3588   53.290   0.5066   53.190   0.5083 0.9187000E-01 0.7176000 
1 1 1  -15    9   11 o   28.200   0.2748   27.670   0.3834   28.740   0.3939 -1.075000 0.5497000 
1 1 1  -15    9   12 o   53.210   0.3630   53.220   0.5118   53.190   0.5149 0.3532000E-01 0.7259000 
1 1 1  -15    9   13 o   39.740   0.3090   39.650   0.4353   39.820   0.4388 -0.1785000 0.6181000 
1 1 1  -15    9   14 o   20.250   0.3478   19.900   0.4910   20.610   0.4926 -0.7132000 0.6955000 
1 1 1  -15    9   15 o   54.780   0.3809   54.540   0.5359   55.020   0.5415 -0.4770000 0.7618000 
1 1 1  -15    9   16 o   86.340   0.6467   86.590   0.9169   86.090   0.9123 0.4985000 1.293000 
1 1 1  -15    9   17 o   38.130   0.3869   38.230   0.5501   38.040   0.5443 0.1863000 0.7739000 
1 1 1  -15    9   18 o   50.060   0.3669   50.170   0.5175   49.950   0.5203 0.2200000 0.7338000 
1 1 1  -15    9   19 o   49.570   0.4156   49.680   0.5817   49.470   0.5937 0.2134000 0.8312000 
1 1 1  -15    9   20 o   19.650   0.4221   19.370   0.5887   19.930   0.6052 -0.5580000 0.8442000 
1 1 1  -15    9   21 o   26.490   0.3536   27.200   0.4764   25.790   0.5226 1.407000 0.7071000 
1 1 1  -15    9   22 o   18.300   0.5019   17.620   0.6794   18.970   0.7390 -1.347000 1.004000 
1 1 1  -15    9   23 o   5.3630   0.9912   7.4830   1.3280   3.2420   1.4710 4.241000 1.982000 
1 1 1  -15    9   24 o   34.960   0.3758   35.330   0.5378   34.600   0.5251 0.7264000 0.7516000 
1 1 1  -15    9   25 o   23.270   0.3466   23.630   0.4752   22.910   0.5046 0.7234000 0.6931000 
1 1 1  -15    9   26 o   8.8460   0.7771   9.5660   0.9445   8.1250   1.2340 1.441000 1.554000 
1 1 1  -15    9   27 o   14.440   0.4944   15.460   0.6260   13.410   0.7653 2.051000 0.9887000 
1 1 1  -15    9   28 o   17.100   0.4363   17.550   0.5723   16.640   0.6588 0.9168000 0.8726000 
1 1 1  -15    9   29 o   8.6140   0.8870   9.1130   1.1100   8.1160   1.3840 0.9974000 1.774000 
1 1 1  -15    9   30 o   10.930   0.8615   11.960   1.1160   9.9070   1.3130 2.055000 1.723000 
1 1 1  -15    9   31 o   6.3170   1.5540   6.0240   2.4710   6.6110   1.8860 -0.5871000 3.108000 
1 1 1  -15    9   32 o   11.100   1.1000   9.8390   1.8010   12.360   1.2640 -2.516000 2.200000 
1 1 1  -15    9   33 o   4.3920   1.3340   5.2310   2.0930   3.5540   1.6530 1.677000 2.667000 
1 1 1  -15    9   34 o   10.470   1.1530   10.520   1.8320   10.420   1.4000 0.1001000 2.306000 
1 1 1  -15    9   35 o   3.9860   1.2800   3.9340   1.7850   4.0380   1.8340 -0.1040000 2.559000 
1 1 1  -15    9   36 o   3.0020   1.0420   3.0610   1.4960   2.9430   1.4500 0.1178000 2.083000 
1 1 1  -15   11    1 o   48.910   0.3844   48.760   0.5410   49.060   0.5461 -0.3052000 0.7687000 
1 1 1  -15   11    2 o   40.010   0.2896   39.940   0.4086   40.080   0.4105 -0.1382000 0.5792000 
1 1 1  -15   11    3 o   15.500   0.3411   15.690   0.4747   15.300   0.4900 0.3869000 0.6822000 
1 1 1  -15   11    4 o   43.550   0.3566   43.030   0.4984   44.060   0.5101 -1.026000 0.7132000 
1 1 1  -15   11    5 o   28.640   0.3121   28.280   0.4338   29.010   0.4487 -0.7282000 0.6241000 
1 1 1  -15   11    6 o   4.5470   1.0820   3.7430   1.4930   5.3510   1.5670 -1.608000 2.165000 
1 1 1  -15   11    7 o   69.160   0.5209   69.350   0.7380   68.970   0.7354 0.3800000 1.042000 
1 1 1  -15   11    8 o   48.500   0.3391   48.470   0.4770   48.540   0.4822 -0.7669000E-01 0.6783000 
1 1 1  -15   11    9 o   61.410   0.4082   61.140   0.5746   61.680   0.5800 -0.5495000 0.8165000 
1 1 1  -15   11   10 o   56.620   0.3849   56.300   0.5409   56.940   0.5478 -0.6376000 0.7699000 
1 1 1  -15   11   11 o   58.500   0.3957   58.420   0.5585   58.590   0.5608 -0.1704000 0.7915000 
1 1 1  -15   11   12 o   71.170   0.4672   71.190   0.6607   71.140   0.6608 0.4351000E-01 0.9344000 
1 1 1  -15   11   13 o   26.570   0.3289   26.650   0.4529   26.500   0.4772 0.1567000 0.6579000 
1 1 1  -15   11   14 o   32.340   0.4494   33.160   0.5460   31.510   0.7139 1.648000 0.8988000 
1 1 1  -15   11   15 o   18.020   0.5562   18.260   0.7520   17.770   0.8198 0.4924000 1.112000 
1 1 1  -15   11   16 o   42.860   0.3697   42.950   0.5455   42.770   0.4991 0.1818000 0.7394000 
1 1 1  -15   11   17 o   54.140   0.3888   53.970   0.5455   54.320   0.5542 -0.3425000 0.7777000 
1 1 1  -15   11   18 o   30.170   0.3826   31.010   0.5246   29.340   0.5571 1.672000 0.7652000 
1 1 1  -15   11   19 o   15.200   0.5418   15.980   0.6990   14.430   0.8279 1.551000 1.084000 
1 1 1  -15   11   20 o   23.980   0.4278   24.420   0.5585   23.530   0.6481 0.8922000 0.8556000 
1 1 1  -15   11   21 f   29.100   0.3853   29.340   0.5134   28.860   0.5745 0.4730000 0.7705000 
1 1 1  -15   11   22 o   19.080   0.4080   19.340   0.5506   18.810   0.6023 0.5374000 0.8160000 
1 1 1  -15   11   23 o   28.970   0.3786   29.080   0.5444   28.850   0.5264 0.2256000 0.7573000 
1 1 1  -15   11   24 o   10.060   0.7940   10.480   1.0780   9.6500   1.1660 0.8282000 1.588000 
1 1 1  -15   11   25 o   5.2940   1.1370   4.3050   1.5930   6.2840   1.6240 -1.979000 2.275000 
1 1 1  -15   11   26 o   13.150   0.5736   13.020   0.8207   13.280   0.8016 -0.2640000 1.147000 
1 1 1  -15   11   27 o   8.0540   1.0790   7.0920   1.7720   9.0160   1.2330 -1.924000 2.159000 
1 1 1  -15   11   28 o   16.740   0.5494   16.270   0.8571   17.200   0.6874 -0.9268000 1.099000 
1 1 1  -15   11   29 o   14.700   0.8840   15.060   1.5550   14.340   0.8416 0.7210000 1.768000 
1 1 1  -15   11   30 o   4.8930   1.4200   4.3770   2.0560   5.4100   1.9600 -1.034000 2.841000 
1 1 1  -15   11   31 f   8.8280   1.0450   8.2110   1.5330   9.4440   1.4200 -1.232000 2.090000 
1 1 1  -15   11   32 o   15.760   0.6824   16.130   0.8629   15.390   1.0570 0.7311000 1.365000 
1 1 1  -15   11   33 o   5.2220   1.3650   5.1900   1.8970   5.2530   1.9640 -0.6272000E-01 2.730000 
1 1 1  -15   11   34 o   10.670   1.0760   10.140   1.5370   11.210   1.5050 -1.065000 2.151000 
1 1 1  -15   11   35 o   3.5750   1.1510   3.5130   1.6060   3.6380   1.6500 -0.1246000 2.302000 
1 1 1  -15   11   36 o   2.2830   0.8239   2.0550   1.0540   2.5110   1.2670 -0.4561000 1.648000 
1 1 1  -15   13    1 o   46.570   0.3292   46.680   0.4657   46.460   0.4655 0.2184000 0.6584000 
1 1 1  -15   13    2 f   35.950   0.2894   36.150   0.4076   35.750   0.4111 0.4009000 0.5789000 
1 1 1  -15   13    3 o   70.670   0.4592   70.510   0.6477   70.840   0.6511 -0.3346000 0.9184000 
1 1 1  -15   13    4 o   48.730   0.3697   48.420   0.4788   49.030   0.5634 -0.6055000 0.7394000 
1 1 1  -15   13    5 o   61.790   0.4450   61.600   0.5779   61.980   0.6767 -0.3769000 0.8899000 
1 1 1  -15   13    6 o   32.040   0.2977   32.420   0.4137   31.660   0.4281 0.7585000 0.5953000 
1 1 1  -15   13    7 o   47.580   0.3434   47.110   0.4782   48.050   0.4930 -0.9416000 0.6869000 
1 1 1  -15   13    8 o   57.490   0.4221   57.160   0.6326   57.820   0.5589 -0.6616000 0.8441000 
1 1 1  -15   13    9 o   39.160   0.3479   38.370   0.4491   39.950   0.5315 -1.572000 0.6958000 
1 1 1  -15   13   10 o   43.120   0.3920   43.140   0.5506   43.090   0.5581 0.5542000E-01 0.7840000 
1 1 1  -15   13   11 o   37.470   0.4459   38.080   0.5471   36.860   0.7043 1.224000 0.8918000 
1 1 1  -15   13   12 o   57.110   0.4653   56.700   0.6535   57.520   0.6626 -0.8244000 0.9306000 
1 1 1  -15   13   13 o   33.930   0.3486   33.630   0.4883   34.230   0.4976 -0.6073000 0.6972000 
1 1 1  -15   13   14 o   25.230   0.3836   24.970   0.5415   25.490   0.5434 -0.5233000 0.7671000 
1 1 1  -15   13   15 f   36.350   0.4201   35.010   0.4753   37.690   0.6929 -2.675000 0.8403000 
1 1 1  -15   13   16 o   30.310   0.3543   30.310   0.4850   30.300   0.5168 0.1675000E-01 0.7087000 
1 1 1  -15   13   17 o   56.800   0.4614   56.930   0.6509   56.670   0.6541 0.2590000 0.9228000 
1 1 1  -15   13   18 o   56.360   0.4017   56.460   0.5658   56.270   0.5702 0.1933000 0.8033000 
1 1 1  -15   13   19 o   25.560   0.4238   25.880   0.5479   25.240   0.6467 0.6324000 0.8476000 
1 1 1  -15   13   20 o   36.210   0.3365   35.900   0.4664   36.520   0.4850 -0.6228000 0.6729000 
1 1 1  -15   13   21 o   23.920   0.3682   23.820   0.5041   24.010   0.5369 -0.1876000 0.7365000 
1 1 1  -15   13   22 o   37.120   0.4112   37.040   0.6256   37.200   0.5337 -0.1645000 0.8223000 
1 1 1  -15   13   23 o   19.380   0.4852   19.490   0.7121   19.260   0.6592 0.2261000 0.9704000 
1 1 1  -15   13   24 o   15.070   0.5712   14.820   0.8792   15.320   0.7295 -0.4997000 1.142000 
1 1 1  -15   13   25 o   7.4120   1.1320   7.7810   1.6410   7.0430   1.5610 0.7381000 2.265000 
1 1 1  -15   13   26 o   9.0850   0.9404   8.7680   1.4280   9.4010   1.2240 -0.6329000 1.881000 
1 1 1  -15   13   27 o   8.1070   1.0020   6.5970   1.5990   9.6170   1.2070 -3.020000 2.004000 
1 1 1  -15   13   28 o   8.2170   1.1930   8.5600   1.6170   7.8730   1.7560 0.6873000 2.387000 
1 1 1  -15   13   29 o   5.9360   1.3880   6.1360   1.9570   5.7370   1.9690 0.3989000 2.776000 
1 1 1  -15   13   30 o   9.7870   0.9383   10.650   1.1480   8.9230   1.4850 1.728000 1.877000 
1 1 1  -15   13   31 o   6.1550   1.4380   5.4890   1.9380   6.8220   2.1250 -1.333000 2.876000 
1 1 1  -15   13   32 o   7.0690   1.2940   7.2810   1.7510   6.8570   1.9060 0.4233000 2.588000 
1 1 1  -15   13   33 o   4.4680   1.3250   5.3170   2.0220   3.6200   1.7130 1.697000 2.650000 
1 1 1  -15   13   34 o   4.5900   1.2360   3.3520   1.5600   5.8290   1.9170 -2.477000 2.472000 
1 1 1  -15   13   35 o   2.6100   0.9253   2.6050   1.3050   2.6150   1.3120 -0.1012000E-01 1.851000 
1 1 1  -15   15    1 o   10.520   0.6580   10.320   0.9498   10.710   0.9110 -0.3885000 1.316000 
1 1 1  -15   15    2 o   33.630   0.3091   33.870   0.4362   33.380   0.4381 0.4888000 0.6182000 
1 1 1  -15   15    3 o   17.490   0.4120   17.400   0.5769   17.590   0.5883 -0.1942000 0.8240000 
1 1 1  -15   15    4 o   73.410   0.4801   73.170   0.6766   73.640   0.6813 -0.4663000 0.9602000 
1 1 1  -15   15    5 o   50.370   0.3615   50.270   0.5075   50.470   0.5150 -0.1919000 0.7230000 
1 1 1  -15   15    6 o   51.380   0.4257   50.860   0.5944   51.900   0.6097 -1.042000 0.8515000 
1 1 1  -15   15    7 o   44.820   0.4473   44.630   0.5577   45.010   0.6995 -0.3853000 0.8946000 
1 1 1  -15   15    8 o   36.700   0.3910   37.130   0.5384   36.280   0.5671 0.8467000 0.7819000 
1 1 1  -15   15    9 f   50.050   0.4289   49.870   0.5989   50.240   0.6140 -0.3651000 0.8578000 
1 1 1  -15   15   10 o   42.010   0.3529   41.690   0.4967   42.320   0.5015 -0.6298000 0.7058000 
1 1 1  -15   15   11 o   31.780   0.3606   31.450   0.5107   32.120   0.5092 -0.6700000 0.7211000 
1 1 1  -15   15   12 o   27.580   0.3807   26.910   0.5308   28.250   0.5459 -1.341000 0.7614000 
1 1 1  -15   15   13 o   31.550   0.3842   31.740   0.5636   31.370   0.5223 0.3756000 0.7684000 
1 1 1  -15   15   14 o   37.180   0.3530   36.760   0.4925   37.610   0.5058 -0.8497000 0.7060000 
1 1 1  -15   15   15 o   22.610   0.4605   22.730   0.6335   22.500   0.6686 0.2286000 0.9211000 
1 1 1  -15   15   16 o   27.260   0.4465   26.780   0.7016   27.740   0.5525 -0.9619000 0.8930000 
1 1 1  -15   15   17 o   17.580   0.7077   16.930   1.1330   18.230   0.8486 -1.299000 1.415000 
1 1 1  -15   15   18 o   19.820   0.5179   19.410   0.8087   20.230   0.6473 -0.8205000 1.036000 
1 1 1  -15   15   19 o   19.640   0.5041   18.700   0.7657   20.570   0.6560 -1.873000 1.008000 
1 1 1  -15   15   20 o   24.550   0.4205   23.820   0.6641   25.280   0.5161 -1.464000 0.8411000 
1 1 1  -15   15   21 o   9.4570   0.9207   8.9200   1.3730   9.9930   1.2270 -1.073000 1.841000 
1 1 1  -15   15   22 o   5.8880   1.2390   5.0150   1.7930   6.7610   1.7110 -1.746000 2.479000 
1 1 1  -15   15   23 o   8.3060   0.8857   7.8610   1.2580   8.7500   1.2470 -0.8891000 1.771000 
1 1 1  -15   15   24 o   16.630   0.4635   16.410   0.6330   16.850   0.6773 -0.4436000 0.9270000 
1 1 1  -15   15   25 o   17.850   0.4609   17.440   0.6330   18.260   0.6702 -0.8210000 0.9219000 
1 1 1  -15   15   26 o   16.420   0.5136   17.210   0.6579   15.620   0.7889 1.590000 1.027000 
1 1 1  -15   15   27 o   9.2140   1.0960   9.4630   1.4860   8.9640   1.6120 0.4993000 2.192000 
1 1 1  -15   15   28 o   6.5170   1.1660   8.3260   1.4030   4.7080   1.8640 3.618000 2.333000 
1 1 1  -15   15   29 o   9.3810   0.9666   9.1140   1.3310   9.6470   1.4020 -0.5335000 1.933000 
1 1 1  -15   15   30 o   13.790   0.8018   14.660   0.9749   12.930   1.2730 1.729000 1.604000 
1 1 1  -15   15   31 o   4.4220   1.2200   5.7150   1.8980   3.1280   1.5320 2.587000 2.440000 
1 1 1  -15   15   32 o   10.750   1.0850   11.420   1.3260   10.080   1.7170 1.334000 2.169000 
1 1 1  -15   15   33 f   3.7270   1.1460   4.7240   1.8560   2.7310   1.3440 1.994000 2.292000 
1 1 1  -15   15   34 o   2.6970   0.9428   3.1160   1.4920   2.2770   1.1530 0.8395000 1.886000 
1 1 1  -15   17    1 o   33.700   0.3410   34.080   0.4800   33.310   0.4846 0.7759000 0.6820000 
1 1 1  -15   17    2 o   46.270   0.3583   46.530   0.5069   46.020   0.5065 0.5114000 0.7166000 
1 1 1  -15   17    3 o   37.720   0.3408   37.000   0.4799   38.430   0.4840 -1.428000 0.6815000 
1 1 1  -15   17    4 o   27.350   0.3650   27.740   0.5149   26.960   0.5177 0.7785000 0.7301000 
1 1 1  -15   17    5 o   42.620   0.3553   42.490   0.4951   42.750   0.5098 -0.2671000 0.7106000 
1 1 1  -15   17    6 o   30.880   0.3887   31.370   0.4947   30.380   0.5997 0.9919000 0.7774000 
1 1 1  -15   17    7 o   54.540   0.3954   54.490   0.5544   54.600   0.5638 -0.1094000 0.7907000 
1 1 1  -15   17    8 o   40.810   0.3521   40.980   0.4882   40.640   0.5074 0.3427000 0.7041000 
1 1 1  -15   17    9 o   73.320   0.4901   73.100   0.6895   73.540   0.6967 -0.4464000 0.9802000 
1 1 1  -15   17   10 o   56.410   0.4965   57.050   0.8114   55.780   0.5723 1.271000 0.9930000 
1 1 1  -15   17   11 o   12.050   0.8798   12.660   1.3450   11.430   1.1350 1.234000 1.760000 
1 1 1  -15   17   12 o   24.210   0.5076   24.140   0.7797   24.280   0.6501 -0.1394000 1.015000 
1 1 1  -15   17   13 o   12.810   0.8565   11.970   1.3690   13.650   1.0290 -1.680000 1.713000 
1 1 1  -15   17   14 o   10.380   1.2350   10.580   1.9400   10.170   1.5300 0.4097000 2.471000 
1 1 1  -15   17   15 o   13.880   0.8417   15.300   1.2280   12.450   1.1520 2.852000 1.683000 
1 1 1  -15   17   16 o   4.5750   1.1890   3.4860   1.5550   5.6640   1.8000 -2.177000 2.378000 
1 1 1  -15   17   17 o   6.9460   1.1150   7.0430   1.4820   6.8490   1.6660 0.1936000 2.230000 
1 1 1  -15   17   18 o   16.530   0.4861   17.210   0.6231   15.860   0.7462 1.343000 0.9722000 
1 1 1  -15   17   19 o   14.200   0.5924   14.560   0.8394   13.830   0.8362 0.7355000 1.185000 
1 1 1  -15   17   20 o   13.120   0.6742   13.250   0.9070   12.990   0.9978 0.2576000 1.348000 
1 1 1  -15   17   21 o   7.9420   1.0110   9.5150   1.0840   6.3690   1.7070 3.145000 2.022000 
1 1 1  -15   17   22 o   3.4500   1.0730   3.1570   1.4350   3.7430   1.5940 -0.5859000 2.145000 
1 1 1  -15   17   23 o   18.510   0.4454   18.050   0.6177   18.960   0.6420 -0.9012000 0.8909000 
1 1 1  -15   17   24 o   11.940   0.6673   11.480   0.9207   12.400   0.9661 -0.9134000 1.335000 
1 1 1  -15   17   25 o   6.4410   1.2050   8.7850   1.5980   4.0980   1.8030 4.686000 2.410000 
1 1 1  -15   17   26 o   11.500   0.9057   11.360   1.2580   11.630   1.3040 -0.2708000 1.811000 
1 1 1  -15   17   27 o   11.270   0.8178   11.910   0.9924   10.630   1.3000 1.285000 1.636000 
1 1 1  -15   17   28 f   3.5220   1.1360   3.6110   1.6140   3.4320   1.5990 0.1790000 2.272000 
1 1 1  -15   17   29 o   10.170   1.0760   10.460   1.3740   9.8730   1.6570 0.5901000 2.153000 
1 1 1  -15   17   30 o   7.3650   1.1310   10.320   1.2710   4.4080   1.8700 5.914000 2.261000 
1 1 1  -15   17   31 o   3.7420   1.2050   4.2990   1.8400   3.1860   1.5580 1.113000 2.411000 
1 1 1  -15   17   32 f   2.8310   0.9760   2.8630   1.3890   2.7990   1.3720 0.6359000E-01 1.952000 
1 1 1  -15   17   33 o   3.2030   1.0690   2.8290   1.3790   3.5760   1.6340 -0.7474000 2.138000 
1 1 1  -15   19    1 o   37.440   0.3497   36.880   0.4919   37.990   0.4970 -1.108000 0.6993000 
1 1 1  -15   19    2 o   47.810   0.4564   48.490   0.7493   47.130   0.5214 1.364000 0.9129000 
1 1 1  -15   19    3 o   21.780   0.5337   21.570   0.8796   21.990   0.6045 -0.4129000 1.067000 
1 1 1  -15   19    4 f   24.210   0.5036   23.880   0.8343   24.540   0.5644 -0.6614000 1.007000 
1 1 1  -15   19    5 o   45.940   0.4761   43.980   0.7243   47.900   0.6183 -3.921000 0.9523000 
1 1 1  -15   19    6 o   11.810   0.9451   12.630   1.4350   10.980   1.2300 1.651000 1.890000 
1 1 1  -15   19    7 o   26.520   0.5076   26.580   0.7719   26.450   0.6592 0.1320000 1.015000 
1 1 1  -15   19    8 o   19.720   0.6124   18.870   0.9610   20.570   0.7594 -1.703000 1.225000 
1 1 1  -15   19    9 o   39.330   0.5073   38.970   0.7136   39.680   0.7211 -0.7130000 1.015000 
1 1 1  -15   19   10 f   31.900   0.5023   32.120   0.6907   31.680   0.7295 0.4315000 1.005000 
1 1 1  -15   19   11 o   12.600   0.7763   12.280   1.0430   12.920   1.1510 -0.6370000 1.553000 
1 1 1  -15   19   12 o   6.9050   1.1730   8.5860   1.4200   5.2250   1.8680 3.361000 2.347000 
1 1 1  -15   19   13 o   21.140   0.4377   20.790   0.6090   21.490   0.6289 -0.7008000 0.8754000 
1 1 1  -15   19   14 o   7.4270   1.0900   7.5850   1.4660   7.2690   1.6140 0.3153000 2.180000 
1 1 1  -15   19   15 o   13.020   0.6228   12.210   0.9027   13.840   0.8584 -1.627000 1.246000 
1 1 1  -15   19   16 o   11.280   0.7182   9.9320   1.1120   12.620   0.9099 -2.686000 1.436000 
1 1 1  -15   19   17 o   12.660   0.7188   13.200   0.9389   12.110   1.0890 1.094000 1.438000 
1 1 1  -15   19   18 o   16.440   0.5563   16.490   0.7739   16.400   0.7993 0.9133000E-01 1.113000 
1 1 1  -15   19   19 o   13.930   0.5693   13.850   0.7882   14.010   0.8218 -0.1630000 1.139000 
1 1 1  -15   19   20 o   12.250   0.6476   12.460   0.8862   12.040   0.9447 0.4162000 1.295000 
1 1 1  -15   19   21 o   12.980   0.6150   12.850   0.8658   13.110   0.8738 -0.2591000 1.230000 
1 1 1  -15   19   22 o   6.8190   1.1550   7.7080   1.4610   5.9290   1.7880 1.779000 2.309000 
1 1 1  -15   19   23 o   4.2700   1.2310   4.1760   1.7090   4.3640   1.7720 -0.1878000 2.461000 
1 1 1  -15   19   24 o   5.9530   1.4450   6.1320   2.0710   5.7740   2.0160 0.3580000 2.890000 
1 1 1  -15   19   25 o   3.9370   1.1970   3.4880   1.5650   4.3870   1.8120 -0.8989000 2.394000 
1 1 1  -15   19   26 f   10.230   0.8944   9.7240   1.2480   10.740   1.2820 -1.018000 1.789000 
1 1 1  -15   19   27 o   4.7930   1.3020   4.9780   1.8100   4.6090   1.8730 0.3693000 2.605000 
1 1 1  -15   19   28 o   4.1890   1.2840   4.6410   1.9140   3.7370   1.7110 0.9039000 2.567000 
1 1 1  -15   19   29 o   3.8830   1.2040   4.9420   1.9540   2.8250   1.4070 2.116000 2.408000 
1 1 1  -15   19   30 o   5.5310   1.3680   5.8700   1.8970   5.1910   1.9710 0.6786000 2.736000 
1 1 1  -15   19   31 f   3.7390   1.1670   3.0000   1.4370   4.4790   1.8380 -1.479000 2.333000 
1 1 1  -15   19   32 o   2.5030   0.8990   2.4580   1.2410   2.5480   1.3010 -0.8975000E-01 1.798000 
1 1 1  -15   21    1 o   51.340   0.4907   51.630   0.7571   51.060   0.6243 0.5604000 0.9813000 
1 1 1  -15   21    2 o   23.750   0.4538   24.480   0.6197   23.030   0.6631 1.443000 0.9076000 
1 1 1  -15   21    3 o   17.070   0.5622   16.470   0.7962   17.680   0.7940 -1.207000 1.124000 
1 1 1  -15   21    4 o   42.240   0.4002   42.130   0.5573   42.360   0.5746 -0.2326000 0.8005000 
1 1 1  -15   21    5 o   23.030   0.4706   22.720   0.6234   23.330   0.7052 -0.6112000 0.9413000 
1 1 1  -15   21    6 o   22.620   0.4866   23.350   0.6107   21.890   0.7578 1.460000 0.9732000 
1 1 1  -15   21    7 o   5.3200   1.2180   3.9180   1.6450   6.7220   1.7980 -2.804000 2.437000 
1 1 1  -15   21    8 o   21.030   0.4305   21.030   0.5702   21.030   0.6452 0.7988000E-02 0.8610000 
1 1 1  -15   21    9 o   11.390   0.7134   11.440   0.9395   11.330   1.0740 0.1146000 1.427000 
1 1 1  -15   21   10 o   13.160   0.6188   14.110   0.7620   12.210   0.9751 1.899000 1.238000 
1 1 1  -15   21   11 o   14.260   0.5654   13.930   0.7695   14.590   0.8286 -0.6571000 1.131000 
1 1 1  -15   21   12 o   22.160   0.3969   22.060   0.5375   22.260   0.5842 -0.2023000 0.7938000 
1 1 1  -15   21   13 o   9.8570   0.8121   9.8310   1.0940   9.8820   1.2010 -0.5128000E-01 1.624000 
1 1 1  -15   21   14 o   3.4330   1.0900   3.0870   1.4270   3.7790   1.6470 -0.6919000 2.180000 
1 1 1  -15   21   15 o   3.6290   1.1500   3.8200   1.6680   3.4390   1.5830 0.3807000 2.299000 
1 1 1  -15   21   16 o   4.9990   1.2920   5.5000   1.8670   4.4990   1.7870 1.001000 2.584000 
1 1 1  -15   21   17 o   7.5430   1.0550   5.0420   1.7600   10.040   1.1630 -5.001000 2.110000 
1 1 1  -15   21   18 o   17.100   0.5105   16.670   0.7188   17.540   0.7252 -0.8699000 1.021000 
1 1 1  -15   21   19 o   4.7860   1.2470   4.9390   1.7390   4.6340   1.7880 0.3052000 2.494000 
1 1 1  -15   21   20 o   4.1450   1.2040   3.6410   1.5750   4.6480   1.8220 -1.007000 2.409000 
1 1 1  -15   21   21 o   3.0900   1.0570   2.6110   1.3080   3.5700   1.6620 -0.9588000 2.115000 
1 1 1  -15   21   22 o   7.4560   1.3980   7.1640   2.0060   7.7470   1.9480 -0.5829000 2.796000 
1 1 1  -15   21   23 o   6.4680   1.2120   5.1440   1.7920   7.7920   1.6340 -2.648000 2.425000 
1 1 1  -15   21   24 o   5.9260   1.3220   5.3390   1.8620   6.5130   1.8760 -1.175000 2.643000 
1 1 1  -15   21   25 o   9.2130   1.0460   10.170   1.2530   8.2590   1.6750 1.910000 2.091000 
1 1 1  -15   21   26 o   3.6390   1.1820   3.7450   1.6950   3.5330   1.6490 0.2117000 2.365000 
1 1 1  -15   21   27 o   7.9680   1.4150   9.9710   1.7400   5.9650   2.2320 4.006000 2.830000 
1 1 1  -15   21   28 o   2.8810   1.0090   2.7330   1.3590   3.0300   1.4920 -0.2970000 2.018000 
1 1 1  -15   21   29 o   3.3540   1.0970   2.7450   1.3410   3.9620   1.7370 -1.217000 2.195000 
1 1 1  -15   21   30 o   2.7180   0.9416   2.7380   1.3330   2.6990   1.3310 0.3908000E-01 1.883000 
1 1 1  -15   23    1 o   18.920   0.4376   19.310   0.6065   18.530   0.6311 0.7778000 0.8753000 
1 1 1  -15   23    2 o   39.430   0.3383   39.370   0.4778   39.490   0.4790 -0.1247000 0.6766000 
1 1 1  -15   23    3 o   7.4170   1.0560   6.0950   1.6920   8.7400   1.2650 -2.645000 2.113000 
1 1 1  -15   23    4 o   9.2210   0.8432   8.9890   1.2170   9.4540   1.1680 -0.4655000 1.686000 
1 1 1  -15   23    5 o   6.8100   1.1620   6.2590   1.6670   7.3610   1.6180 -1.102000 2.323000 
1 1 1  -15   23    6 o   20.880   0.4210   20.880   0.5677   20.880   0.6218 0.1642000E-02 0.8420000 
1 1 1  -15   23    7 o   5.0850   1.2480   4.9490   1.7240   5.2220   1.8060 -0.2731000 2.496000 
1 1 1  -15   23    8 o   6.1850   1.2090   5.5510   1.7260   6.8190   1.6930 -1.268000 2.418000 
1 1 1  -15   23    9 o   13.280   0.6214   14.580   0.7493   11.980   0.9914 2.601000 1.243000 
1 1 1  -15   23   10 o   17.450   0.5356   17.380   0.7425   17.520   0.7722 -0.1411000 1.071000 
1 1 1  -15   23   11 o   10.750   0.8272   10.290   1.1820   11.220   1.1580 -0.9299000 1.654000 
1 1 1  -15   23   12 o   19.020   0.5029   18.720   0.6830   19.320   0.7383 -0.5958000 1.006000 
1 1 1  -15   23   13 o   17.260   0.5222   17.630   0.7151   16.890   0.7612 0.7389000 1.044000 
1 1 1  -15   23   14 o   9.0550   0.9152   7.3550   1.4780   10.760   1.0790 -3.402000 1.830000 
1 1 1  -15   23   15 o   9.4110   0.8884   8.2320   1.3140   10.590   1.1960 -2.357000 1.777000 
1 1 1  -15   23   16 o   8.4080   1.0580   7.0610   1.6930   9.7540   1.2690 -2.694000 2.115000 
1 1 1  -15   23   17 o   20.540   0.4580   21.110   0.6171   19.960   0.6770 1.143000 0.9160000 
1 1 1  -15   23   18 o   3.2020   1.0930   3.1950   1.5420   3.2080   1.5490 -0.1338000E-01 2.186000 
1 1 1  -15   23   19 o   5.3010   1.4550   5.5740   2.0910   5.0280   2.0220 0.5455000 2.909000 
1 1 1  -15   23   20 o   16.550   0.5707   15.880   0.8052   17.210   0.8090 -1.331000 1.141000 
1 1 1  -15   23   21 o   4.5670   1.2720   4.7350   1.7990   4.3980   1.7980 0.3370000 2.544000 
1 1 1  -15   23   22 o   5.9220   1.2640   7.2520   1.7200   4.5920   1.8530 2.660000 2.528000 
1 1 1  -15   23   23 o   3.9790   1.1940   3.0030   1.4370   4.9550   1.9070 -1.952000 2.388000 
1 1 1  -15   23   24 o   8.5510   1.2230   7.9960   1.6680   9.1070   1.7890 -1.111000 2.446000 
1 1 1  -15   23   25 o   6.2060   1.5720   5.7780   2.1750   6.6330   2.2710 -0.8553000 3.144000 
1 1 1  -15   23   26 o   2.7940   0.9794   3.0270   1.4780   2.5610   1.2860 0.4661000 1.959000 
1 1 1  -15   23   27 o   2.4810   0.8766   2.3580   1.1840   2.6030   1.2930 -0.2451000 1.753000 
1 1 1  -15   23   28 o   3.2140   1.0660   3.4020   1.5640   3.0260   1.4470 0.3753000 2.131000 
1 1 1  -15   25    1 o   8.9230   1.0690   10.420   1.2040   7.4280   1.7660 2.989000 2.137000 
1 1 1  -15   25    2 o   27.640   0.4091   27.340   0.5721   27.930   0.5850 -0.5967000 0.8182000 
1 1 1  -15   25    3 o   28.240   0.4060   28.220   0.5655   28.260   0.5826 -0.4033000E-01 0.8119000 
1 1 1  -15   25    4 o   4.2200   1.2470   4.1930   1.7440   4.2470   1.7830 -0.5406000E-01 2.494000 
1 1 1  -15   25    5 o   20.780   0.4754   21.620   0.6319   19.930   0.7103 1.688000 0.9507000 
1 1 1  -15   25    6 o   12.240   0.7749   13.120   0.9790   11.370   1.2010 1.752000 1.550000 
1 1 1  -15   25    7 o   10.680   0.7925   9.2240   1.2160   12.140   1.0170 -2.911000 1.585000 
1 1 1  -15   25    8 o   3.5600   1.1190   3.6090   1.5760   3.5100   1.5890 0.9979000E-01 2.238000 
1 1 1  -15   25    9 o   16.750   0.5124   17.190   0.6651   16.310   0.7798 0.8828000 1.025000 
1 1 1  -15   25   10 o   19.270   0.4573   18.750   0.6142   19.790   0.6776 -1.037000 0.9146000 
1 1 1  -15   25   11 o   20.470   0.4386   21.150   0.5651   19.780   0.6708 1.366000 0.8771000 
1 1 1  -15   25   12 o   5.8260   1.1630   7.3680   1.5240   4.2840   1.7580 3.083000 2.327000 
1 1 1  -15   25   13 o   17.490   0.5062   16.830   0.6923   18.150   0.7386 -1.316000 1.012000 
1 1 1  -15   25   14 o   14.050   0.6335   14.620   0.8026   13.470   0.9803 1.149000 1.267000 
1 1 1  -15   25   15 o   8.1080   1.3120   8.6710   1.6660   7.5450   2.0280 1.126000 2.624000 
1 1 1  -15   25   16 o   13.450   0.8143   13.680   1.0680   13.230   1.2300 0.4529000 1.629000 
1 1 1  -15   25   17 o   5.4430   1.2940   6.1700   1.8000   4.7150   1.8600 1.455000 2.589000 
1 1 1  -15   25   18 o   8.0410   1.1580   8.9320   1.5030   7.1510   1.7610 1.781000 2.315000 
1 1 1  -15   25   19 o   3.2520   1.0770   3.0810   1.4590   3.4240   1.5830 -0.3433000 2.153000 
1 1 1  -15   25   20 o   6.9840   1.3090   6.9870   1.7880   6.9810   1.9120 0.5168000E-02 2.618000 
1 1 1  -15   25   21 o   14.480   0.6769   14.040   0.9495   14.920   0.9651 -0.8875000 1.354000 
1 1 1  -15   25   22 o   5.5370   1.4370   5.7550   2.0440   5.3190   2.0210 0.4360000 2.874000 
1 1 1  -15   25   23 o   3.7830   1.2560   3.3060   1.6020   4.2600   1.9340 -0.9549000 2.511000 
1 1 1  -15   25   24 o   9.8810   1.0100   10.610   1.2790   9.1510   1.5620 1.460000 2.019000 
1 1 1  -15   25   25 o   2.7790   0.9584   3.1710   1.4950   2.3870   1.2000 0.7841000 1.917000 
1 1 1  -15   25   26 o   3.0450   1.0280   3.4340   1.5800   2.6560   1.3140 0.7779000 2.055000 
1 1 1  -15   27    1 o   11.880   0.7021   10.950   1.0530   12.810   0.9286 -1.860000 1.404000 
1 1 1  -15   27    2 o   22.090   0.4150   22.140   0.5783   22.050   0.5954 0.9552000E-01 0.8301000 
1 1 1  -15   27    3 o   17.580   0.4868   17.380   0.6850   17.770   0.6920 -0.3849000 0.9737000 
1 1 1  -15   27    4 o   13.650   0.6137   14.560   0.8056   12.750   0.9259 1.811000 1.227000 
1 1 1  -15   27    5 o   12.870   0.6692   13.320   0.8736   12.420   1.0140 0.8929000 1.338000 
1 1 1  -15   27    6 o   27.620   0.3775   28.040   0.5133   27.210   0.5537 0.8283000 0.7550000 
1 1 1  -15   27    7 o   8.0950   1.0840   8.1320   1.4340   8.0570   1.6270 0.7472000E-01 2.169000 
1 1 1  -15   27    8 o   4.2100   1.2060   4.7740   1.7670   3.6470   1.6410 1.127000 2.412000 
1 1 1  -15   27    9 o   4.3820   1.2970   4.7360   1.8790   4.0270   1.7870 0.7088000 2.594000 
1 1 1  -15   27   10 o   4.9330   1.2780   6.2990   1.9410   3.5660   1.6640 2.733000 2.557000 
1 1 1  -15   27   11 o   7.5820   1.3080   5.9880   1.9880   9.1770   1.6990 -3.188000 2.615000 
1 1 1  -15   27   12 o   5.5190   1.4140   5.9790   2.0090   5.0600   1.9890 0.9196000 2.827000 
1 1 1  -15   27   13 f   3.8670   1.1690   4.3400   1.7340   3.3940   1.5690 0.9456000 2.338000 
1 1 1  -15   27   14 o   4.3940   1.2580   4.3350   1.7370   4.4530   1.8190 -0.1183000 2.515000 
1 1 1  -15   27   15 o   11.170   0.8112   11.790   1.0310   10.560   1.2520 1.234000 1.622000 
1 1 1  -15   27   16 o   7.1080   1.2400   7.2140   1.6630   7.0030   1.8400 0.2109000 2.480000 
1 1 1  -15   27   17 o   4.1700   1.1930   5.1960   1.8480   3.1450   1.5090 2.051000 2.386000 
1 1 1  -15   27   18 o   7.1830   1.2920   7.7470   1.7030   6.6200   1.9440 1.127000 2.584000 
1 1 1  -15   27   19 o   4.3080   1.2870   4.8060   1.8780   3.8110   1.7590 0.9951000 2.573000 
1 1 1  -15   27   20 o   4.4970   1.3790   5.2730   2.1080   3.7220   1.7780 1.551000 2.757000 
1 1 1  -15   27   21 o   3.6730   1.2180   3.4280   1.6530   3.9180   1.7890 -0.4902000 2.436000 
1 1 1  -15   27   22 o   6.8070   1.2750   8.6170   1.5500   4.9970   2.0240 3.620000 2.549000 
1 1 1  -15   27   23 o   2.5160   0.8934   2.6850   1.3220   2.3460   1.2020 0.3390000 1.787000 
1 1 1  -15   27   24 o   2.4360   0.8702   2.4400   1.2200   2.4320   1.2420 0.8492000E-02 1.740000 
1 1 1  -15   29    1 o   7.9250   1.2690   7.3870   1.8890   8.4620   1.6950 -1.075000 2.538000 
1 1 1  -15   29    2 o   4.7830   1.3600   5.4270   1.9760   4.1390   1.8700 1.288000 2.721000 
1 1 1  -15   29    3 f   17.480   0.5235   16.860   0.7522   18.100   0.7283 -1.237000 1.047000 
1 1 1  -15   29    4 o   9.1210   0.9615   8.6690   1.3990   9.5740   1.3200 -0.9055000 1.923000 
1 1 1  -15   29    5 o   22.900   0.4327   23.040   0.5881   22.760   0.6348 0.2786000 0.8653000 
1 1 1  -15   29    6 o   5.9190   1.2770   6.6870   1.7170   5.1510   1.8910 1.535000 2.554000 
1 1 1  -15   29    7 o   6.4260   1.2490   4.9980   1.8230   7.8540   1.7090 -2.857000 2.499000 
1 1 1  -15   29    8 o   13.070   0.7005   12.840   0.9601   13.300   1.0200 -0.4655000 1.401000 
1 1 1  -15   29    9 o   5.8750   1.2790   6.8060   1.7400   4.9430   1.8740 1.863000 2.557000 
1 1 1  -15   29   10 o   9.3110   0.9757   9.5300   1.2970   9.0910   1.4580 0.4392000 1.951000 
1 1 1  -15   29   11 o   8.0770   1.1380   7.1760   1.7150   8.9780   1.4960 -1.802000 2.275000 
1 1 1  -15   29   12 o   3.4990   1.1270   3.7410   1.6560   3.2560   1.5300 0.4853000 2.255000 
1 1 1  -15   29   13 o   5.7660   1.3370   5.9580   1.8570   5.5740   1.9240 0.3842000 2.674000 
1 1 1  -15   29   14 o   6.4950   1.3060   7.0500   1.7630   5.9390   1.9280 1.111000 2.612000 
1 1 1  -15   29   15 o   3.2550   1.0880   3.1890   1.5040   3.3210   1.5710 -0.1323000 2.175000 
1 1 1  -15   29   16 o   3.8080   1.2540   4.3350   1.9200   3.2810   1.6130 1.054000 2.508000 
1 1 1  -15   29   17 o   5.3440   1.6360   4.8450   2.0330   5.8430   2.5630 -0.9984000 3.272000 
1 1 1  -15   29   18 o   5.4750   1.3850   6.3120   1.8740   4.6390   2.0410 1.673000 2.771000 
1 1 1  -15   29   19 o   4.7080   1.3300   5.3790   1.8940   4.0370   1.8670 1.341000 2.659000 
1 1 1  -15   29   20 f   2.2590   0.8256   1.8250   0.9390   2.6930   1.3580 -0.8680000 1.651000 
1 1 1  -15   29   21 o   2.1680   0.7795   2.1830   1.1050   2.1520   1.1000 0.3087000E-01 1.559000 
1 1 1  -15   31    1 f   3.0320   1.0230   3.4570   1.5860   2.6070   1.2940 0.8499000 2.046000 
1 1 1  -15   31    2 o   6.6320   1.3110   6.6250   1.8320   6.6390   1.8750 -0.1411000E-01 2.621000 
1 1 1  -15   31    3 o   3.0690   1.0300   3.5260   1.6020   2.6120   1.2960 0.9144000 2.060000 
1 1 1  -15   31    4 o   4.9810   1.3150   5.7470   1.8710   4.2150   1.8470 1.532000 2.629000 
1 1 1  -15   31    5 o   2.8850   0.9904   2.9050   1.4030   2.8640   1.3980 0.4117000E-01 1.981000 
1 1 1  -15   31    6 o   12.370   0.7768   13.650   0.9295   11.090   1.2450 2.563000 1.554000 
1 1 1  -15   31    7 o   6.5260   1.3370   6.1790   1.8610   6.8730   1.9200 -0.6938000 2.674000 
1 1 1  -15   31    8 o   7.0560   1.2990   7.6220   1.7070   6.4910   1.9600 1.132000 2.599000 
1 1 1  -15   31    9 o   5.2480   1.3730   5.7340   1.8880   4.7610   1.9940 0.9723000 2.746000 
1 1 1  -15   31   10 o   5.2360   1.6110   4.4930   1.9490   5.9800   2.5660 -1.488000 3.222000 
1 1 1  -15   31   11 o   4.4950   1.4480   4.5030   1.9610   4.4880   2.1320 0.1503000E-01 2.897000 
1 1 1  -15   31   12 o   4.1070   1.3390   4.5520   1.9570   3.6630   1.8270 0.8891000 2.677000 
1 1 1  -15   31   13 o   3.4160   1.1730   3.2050   1.5600   3.6270   1.7530 -0.4217000 2.347000 
1 1 1  -15   31   14 f   3.3370   1.1370   2.6790   1.3150   3.9960   1.8550 -1.317000 2.274000 
1 1 1  -15   31   15 o   4.2360   1.2800   3.9220   1.7000   4.5510   1.9140 -0.6289000 2.560000 
1 1 1  -15   31   16 o   3.2190   1.0510   3.9290   1.6900   2.5090   1.2490 1.421000 2.101000 
1 1 1  -15   31   17 o   2.2960   0.8168   2.2280   1.1230   2.3640   1.1870 -0.1367000 1.634000 
1 1 1  -15   33    1 o   4.0700   1.2760   3.5470   1.6540   4.5920   1.9440 -1.045000 2.553000 
1 1 1  -15   33    2 o   4.7440   1.4320   3.8770   1.7500   5.6110   2.2670 -1.735000 2.864000 
1 1 1  -15   33    3 o   4.1840   1.2870   4.5650   1.8260   3.8020   1.8140 0.7629000 2.574000 
1 1 1  -15   33    4 o   2.8380   0.9925   2.8750   1.3940   2.8000   1.4130 0.7564000E-01 1.985000 
1 1 1  -15   33    5 o   2.5340   0.9016   2.5290   1.2560   2.5390   1.2940 -0.9677000E-02 1.803000 
1 1 1  -15   33    6 o   4.2020   1.3010   4.2840   1.7760   4.1200   1.9030 0.1639000 2.603000 
1 1 1  -15   33    7 o   3.1900   1.0670   3.7400   1.6600   2.6400   1.3400 1.100000 2.134000 
1 1 1  -15   33    8 o   6.2010   1.2700   7.7610   1.6470   4.6410   1.9330 3.119000 2.539000 
1 1 1  -15   33    9 o   5.9140   1.2860   6.7120   1.7620   5.1160   1.8740 1.596000 2.573000 
1 1 1  -15   33   10 o   2.2850   0.8133   2.2610   1.1390   2.3080   1.1610 -0.4763000E-01 1.627000 
1 1 1  -15   33   11 o   2.5170   0.8835   2.2810   1.1480   2.7530   1.3430 -0.4713000 1.767000 
1 1 1  -15   33   12 o   2.2710   0.8230   2.1450   1.1040   2.3970   1.2210 -0.2519000 1.646000 
1 1 1  -14    0    1 o   78.610   0.6993   78.610   0.6993   78.610   0.6993 0.000000 0.000000 
1 1 1  -14    0    2 o   95.020   0.8448   95.020   0.8448   95.020   0.8448 0.000000 0.000000 
1 1 1  -14    0    3 o   43.180   0.5508   43.180   0.5508   43.180   0.5508 0.000000 0.000000 
1 1 1  -14    0    4 o  150.400   1.3340  150.400   1.3340  150.400   1.3340 0.000000 0.000000 
1 1 1  -14    0    6 o   47.170   0.6054   47.170   0.6054   47.170   0.6054 -0.000000 0.000000 
1 1 1  -14    0    7 o   35.330   0.3323   35.330   0.3323   35.330   0.3323 -0.000000 0.000000 
1 1 1  -14    0    8 o   31.530   0.3093   31.530   0.3093   31.530   0.3093 -0.000000 0.000000 
1 1 1  -14    0    9 f   36.380   0.4042   36.380   0.4042   36.380   0.4042 0.000000 0.000000 
1 1 1  -14    0   10 o   65.600   0.5922   65.600   0.5922   65.600   0.5922 -0.000000 0.000000 
1 1 1  -14    0   11 o   24.320   0.4155   24.320   0.4155   24.320   0.4155 0.000000 0.000000 
1 1 1  -14    0   12 o   61.040   0.7864   61.040   0.7864   61.040   0.7864 -0.000000 0.000000 
1 1 1  -14    0   13 o   23.460   0.3257   23.460   0.3257   23.460   0.3257 -0.000000 0.000000 
1 1 1  -14    0   14 o   72.970   0.6610   72.970   0.6610   72.970   0.6610 0.000000 0.000000 
1 1 1  -14    0   15 o   1.3210   0.9475   1.3210   0.9475   1.3210   0.9475 0.000000 0.000000 
1 1 1  -14    0   16 o   50.310   0.4840   50.310   0.4840   50.310   0.4840 -0.000000 0.000000 
1 1 1  -14    0   17 o   53.960   0.5161   53.960   0.5161   53.960   0.5161 0.000000 0.000000 
1 1 1  -14    0   18 o   32.660   0.4111   32.660   0.4111   32.660   0.4111 0.000000 0.000000 
1 1 1  -14    0   19 o   64.550   0.6087   64.550   0.6087   64.550   0.6087 0.000000 0.000000 
1 1 1  -14    0   20 o   4.6310   2.3090   4.6310   2.3090   4.6310   2.3090 0.000000 0.000000 
1 1 1  -14    0   21 o   64.020   0.6085   64.020   0.6085   64.020   0.6085 -0.000000 0.000000 
1 1 1  -14    0   22 o   14.020   0.7422   14.020   0.7422   14.020   0.7422 0.000000 0.000000 
1 1 1  -14    0   23 o   32.800   0.4425   32.800   0.4425   32.800   0.4425 0.000000 0.000000 
1 1 1  -14    0   24 o   7.8460   1.3220   7.8460   1.3220   7.8460   1.3220 0.000000 0.000000 
1 1 1  -14    0   25 o   19.310   0.7933   19.310   0.7933   19.310   0.7933 -0.000000 0.000000 
1 1 1  -14    0   26 o   15.140   0.6298   15.140   0.6298   15.140   0.6298 -0.000000 0.000000 
1 1 1  -14    0   27 o   11.550   0.8360   11.550   0.8360   11.550   0.8360 -0.000000 0.000000 
1 1 1  -14    0   28 o   14.660   0.6599   14.660   0.6599   14.660   0.6599 -0.000000 0.000000 
1 1 1  -14    0   29 o   20.970   0.5101   20.970   0.5101   20.970   0.5101 0.000000 0.000000 
1 1 1  -14    0   30 o   15.090   0.7112   15.090   0.7112   15.090   0.7112 -0.000000 0.000000 
1 1 1  -14    0   31 o   6.8200   1.7800   6.8200   1.7800   6.8200   1.7800 -0.000000 0.000000 
1 1 1  -14    0   32 o   11.890   0.9681   11.890   0.9681   11.890   0.9681 -0.000000 0.000000 
1 1 1  -14    0   33 o   6.0850   2.6080   6.0850   2.6080   6.0850   2.6080 -0.000000 0.000000 
1 1 1  -14    0   34 o   8.5730   1.7260   8.5730   1.7260   8.5730   1.7260 -0.000000 0.000000 
1 1 1  -14    0   35 o   8.8550   1.6630   8.8550   1.6630   8.8550   1.6630 -0.000000 0.000000 
1 1 1  -14    0   36 o   3.8580   2.2090   3.8580   2.2090   3.8580   2.2090 -0.000000 0.000000 
1 1 1  -14    0   37 o   2.6180   1.8440   2.6180   1.8440   2.6180   1.8440 0.000000 0.000000 
1 1 1  -14    0   38 o   1.4800   1.0950   1.4800   1.0950   1.4800   1.0950 -0.000000 0.000000 
1 1 1  -14    2    1 o   45.400   0.5876   45.060   0.8241   45.750   0.8377 -0.6927000 1.175000 
1 1 1  -14    2    2 o   49.020   0.6295   48.390   0.8787   49.650   0.9016 -1.263000 1.259000 
1 1 1  -14    2    3 o  100.100   0.8100   97.760   1.2310  102.500   1.0530 -4.732000 1.620000 
1 1 1  -14    2    4 o   37.130   0.2781   36.730   0.3895   37.530   0.3971 -0.7973000 0.5563000 
1 1 1  -14    2    5 o   18.680   0.1718   19.100   0.2291   18.260   0.2561 0.8379000 0.3436000 
1 1 1  -14    2    6 o   76.150   0.5556   76.670   0.7905   75.640   0.7809 1.027000 1.111000 
1 1 1  -14    2    7 o   43.800   0.3085   43.860   0.4668   43.730   0.4035 0.1303000 0.6170000 
1 1 1  -14    2    8 o   20.210   0.2147   19.660   0.3054   20.770   0.3020 -1.112000 0.4295000 
1 1 1  -14    2    9 o   49.140   0.3199   49.270   0.4539   49.000   0.4509 0.2749000 0.6398000 
1 1 1  -14    2   10 o   28.320   0.2486   28.520   0.3512   28.110   0.3518 0.4045000 0.4971000 
1 1 1  -14    2   11 o   34.830   0.3483   34.780   0.4939   34.880   0.4911 -0.9717000E-01 0.6965000 
1 1 1  -14    2   12 o   32.860   0.2817   33.080   0.4026   32.630   0.3941 0.4508000 0.5634000 
1 1 1  -14    2   13 o   27.280   0.2342   27.520   0.3299   27.040   0.3325 0.4779000 0.4684000 
1 1 1  -14    2   14 o   34.570   0.2602   34.280   0.3648   34.860   0.3711 -0.5753000 0.5204000 
1 1 1  -14    2   15 o   41.250   0.2944   41.460   0.4179   41.040   0.4147 0.4224000 0.5887000 
1 1 1  -14    2   16 o   74.380   0.4797   74.390   0.6783   74.370   0.6784 0.2465000E-01 0.9593000 
1 1 1  -14    2   17 o   31.850   0.2813   31.730   0.3967   31.980   0.3991 -0.2502000 0.5627000 
1 1 1  -14    2   18 o   78.930   0.5105   79.100   0.7231   78.760   0.7209 0.3478000 1.021000 
1 1 1  -14    2   19 o   48.240   0.3538   48.320   0.4986   48.170   0.5022 0.1562000 0.7077000 
1 1 1  -14    2   20 o   64.740   0.6110   65.000   0.8655   64.490   0.8626 0.5074000 1.222000 
1 1 1  -14    2   21 o   24.060   0.3734   24.990   0.5388   23.140   0.5171 1.848000 0.7468000 
1 1 1  -14    2   22 o   27.890   0.3344   28.220   0.4708   27.570   0.4749 0.6573000 0.6687000 
1 1 1  -14    2   23 o   24.190   0.3425   24.060   0.4843   24.310   0.4844 -0.2526000 0.6850000 
1 1 1  -14    2   24 o   5.8430   1.2180   5.7760   1.5720   5.9100   1.8620 -0.1337000 2.437000 
1 1 1  -14    2   25 o   18.980   0.8423  ?   ?    18.980   0.8423      ?      ? 
1 1 1  -14    2   26 o   5.6610   1.1100   5.2390   1.6050   6.0830   1.5330 -0.8431000 2.219000 
1 1 1  -14    2   27 o   4.1300   1.1330   3.7770   1.5350   4.4830   1.6650 -0.7062000 2.265000 
1 1 1  -14    2   28 o   27.350   0.3260   27.450   0.4546   27.260   0.4674 0.1868000 0.6520000 
1 1 1  -14    2   29 o   22.200   0.3616   22.270   0.4955   22.130   0.5269 0.1466000 0.7233000 
1 1 1  -14    2   30 o   6.1480   1.1280   6.3840   1.5450   5.9110   1.6430 0.4725000 2.255000 
1 1 1  -14    2   31 o   11.030   0.7029   10.030   1.0540   12.030   0.9307 -2.007000 1.406000 
1 1 1  -14    2   32 o   6.1120   1.3360   5.9700   1.9240   6.2540   1.8540 -0.2836000 2.672000 
1 1 1  -14    2   33 o   4.2810   1.3450   4.0710   1.8410   4.4920   1.9610 -0.4214000 2.689000 
1 1 1  -14    2   34 o   3.3050   1.0820   3.8450   1.6820   2.7660   1.3620 1.078000 2.164000 
1 1 1  -14    2   35 o   6.6080   1.3350   7.1830   1.8390   6.0340   1.9350 1.150000 2.669000 
1 1 1  -14    2   36 o   5.0460   1.4230   4.4840   1.8650   5.6070   2.1500 -1.123000 2.846000 
1 1 1  -14    2   37 o   3.1520   1.1100   3.2410   1.6040   3.0640   1.5350 0.1778000 2.220000 
1 1 1  -14    2   38 o   3.6800   1.1910   4.5620   1.9370   2.7980   1.3860 1.764000 2.382000 
1 1 1  -14    4    1 o   82.340   0.5192   82.510   0.7357   82.170   0.7328 0.3409000 1.038000 
1 1 1  -14    4    2 o   76.580   0.5592   75.920   0.7842   77.250   0.7975 -1.325000 1.118000 
1 1 1  -14    4    3 o   97.770   0.6653   97.700   1.0050   97.830   0.8715 -0.1252000 1.331000 
1 1 1  -14    4    4 o   67.920   0.4310   68.400   0.6135   67.440   0.6056 0.9572000 0.8621000 
1 1 1  -14    4    5 o   52.380   0.3908   53.220   0.5598   51.540   0.5453 1.684000 0.7815000 
1 1 1  -14    4    6 o   39.330   0.3058   40.050   0.4377   38.610   0.4272 1.445000 0.6117000 
1 1 1  -14    4    7 o   33.510   0.2360   33.650   0.3336   33.360   0.3339 0.2919000 0.4720000 
1 1 1  -14    4    8 f   60.790   0.3902   60.820   0.5519   60.760   0.5518 0.5651000E-01 0.7804000 
1 1 1  -14    4    9 o   26.240   0.2714   25.290   0.4126   27.190   0.3528 -1.901000 0.5428000 
1 1 1  -14    4   10 o   34.730   0.2850   34.970   0.4041   34.490   0.4020 0.4753000 0.5700000 
1 1 1  -14    4   11 o   26.320   0.2636   26.430   0.3757   26.210   0.3697 0.2151000 0.5272000 
1 1 1  -14    4   12 o   16.730   0.3035   17.340   0.4218   16.120   0.4366 1.217000 0.6070000 
1 1 1  -14    4   13 o   36.480   0.2675   36.100   0.3749   36.870   0.3815 -0.7626000 0.5349000 
1 1 1  -14    4   14 o   17.280   0.2842   18.070   0.3850   16.490   0.4183 1.581000 0.5685000 
1 1 1  -14    4   15 o   43.570   0.3085   43.290   0.4335   43.840   0.4391 -0.5506000 0.6170000 
1 1 1  -14    4   16 o   26.020   0.2802   25.590   0.3965   26.450   0.3960 -0.8572000 0.5604000 
1 1 1  -14    4   17 o   30.610   0.2881   31.030   0.4030   30.190   0.4119 0.8348000 0.5762000 
1 1 1  -14    4   18 o   27.900   0.3071   28.160   0.4251   27.630   0.4433 0.5282000 0.6142000 
1 1 1  -14    4   19 o   79.100   0.5948   79.850   0.8491   78.340   0.8333 1.517000 1.190000 
1 1 1  -14    4   20 o   27.520   0.3761   27.320   0.5152   27.720   0.5479 -0.3947000 0.7521000 
1 1 1  -14    4   21 o   8.5150   0.8973   9.1370   1.1200   7.8920   1.4020 1.246000 1.795000 
1 1 1  -14    4   22 o   19.020   0.4063   18.570   0.5758   19.480   0.5735 -0.9081000 0.8127000 
1 1 1  -14    4   23 o   27.740   0.3266   27.710   0.4574   27.780   0.4663 -0.6388000E-01 0.6532000 
1 1 1  -14    4   24 o   35.160   0.3658   35.310   0.5024   35.020   0.5319 0.2937000 0.7317000 
1 1 1  -14    4   25 o   14.630   0.5801   13.440   0.8895   15.820   0.7447 -2.381000 1.160000 
1 1 1  -14    4   26 f   24.590   0.3366   24.580   0.4678   24.600   0.4842 -0.2571000E-01 0.6732000 
1 1 1  -14    4   27 o   27.220   0.3253   27.340   0.4526   27.110   0.4673 0.2298000 0.6506000 
1 1 1  -14    4   28 o   24.380   0.3404   24.660   0.4707   24.100   0.4919 0.5542000 0.6808000 
1 1 1  -14    4   29 o   26.360   0.3338   26.910   0.4672   25.810   0.4768 1.102000 0.6675000 
1 1 1  -14    4   30 o   13.440   0.5628   14.010   0.7493   12.870   0.8400 1.138000 1.126000 
1 1 1  -14    4   31 o   6.2770   1.1690   6.3500   1.6050   6.2040   1.7000 0.1463000 2.338000 
1 1 1  -14    4   32 o   15.230   0.6376   15.620   0.8986   14.840   0.9048 0.7807000 1.275000 
1 1 1  -14    4   33 o   11.440   0.8843   12.000   1.0650   10.880   1.4120 1.114000 1.769000 
1 1 1  -14    4   34 o   5.9390   1.2670   7.1420   1.7060   4.7360   1.8750 2.407000 2.535000 
1 1 1  -14    4   35 o   6.4200   1.3370   5.6270   1.9230   7.2140   1.8570 -1.587000 2.673000 
1 1 1  -14    4   36 o   2.8750   1.0120   2.5750   1.2990   3.1750   1.5520 -0.5995000 2.024000 
1 1 1  -14    4   37 o   3.0600   1.0580   2.8340   1.4140   3.2850   1.5730 -0.4508000 2.115000 
1 1 1  -14    6    1 o   39.750   0.3128   39.860   0.4432   39.640   0.4416 0.2179000 0.6256000 
1 1 1  -14    6    2 o   14.180   0.2863   14.160   0.4094   14.190   0.4003 -0.3367000E-01 0.5726000 
1 1 1  -14    6    3 o   63.590   0.4710   62.820   0.6584   64.370   0.6738 -1.552000 0.9421000 
1 1 1  -14    6    4 o   53.400   0.4017   53.290   0.5668   53.510   0.5694 -0.2232000 0.8034000 
1 1 1  -14    6    5 o   62.630   0.4355   63.070   0.6618   62.190   0.5662 0.8725000 0.8709000 
1 1 1  -14    6    6 o   37.690   0.3024   37.880   0.4284   37.510   0.4270 0.3725000 0.6048000 
1 1 1  -14    6    7 o   25.800   0.2549   25.960   0.3563   25.630   0.3646 0.3273000 0.5098000 
1 1 1  -14    6    8 o   48.480   0.3708   48.480   0.5240   48.480   0.5249 -0.8701000E-02 0.7417000 
1 1 1  -14    6    9 o   32.290   0.2663   32.660   0.3480   31.920   0.4031 0.7456000 0.5325000 
1 1 1  -14    6   10 o   34.160   0.2800   33.650   0.4202   34.670   0.3703 -1.021000 0.5601000 
1 1 1  -14    6   11 o   9.3020   0.5432   10.050   0.7071   8.5580   0.8247 1.488000 1.086000 
1 1 1  -14    6   12 o   32.930   0.2791   33.820   0.4227   32.030   0.3646 1.792000 0.5583000 
1 1 1  -14    6   13 o   17.910   0.3398   19.240   0.4336   16.580   0.5232 2.666000 0.6795000 
1 1 1  -14    6   14 o   83.920   0.5371   84.020   0.7604   83.820   0.7588 0.1933000 1.074000 
1 1 1  -14    6   15 o   48.920   0.3407   48.670   0.4790   49.170   0.4847 -0.5019000 0.6815000 
1 1 1  -14    6   16 o   28.500   0.2917   28.670   0.4128   28.330   0.4124 0.3395000 0.5835000 
1 1 1  -14    6   17 o   33.490   0.3036   33.780   0.4281   33.200   0.4306 0.5770000 0.6072000 
1 1 1  -14    6   18 o   20.000   0.4420   19.930   0.6135   20.080   0.6363 -0.1513000 0.8839000 
1 1 1  -14    6   19 o   8.1660   0.9325   7.9300   1.3220   8.4030   1.3150 -0.4724000 1.865000 
1 1 1  -14    6   20 o   57.730   0.4590   57.270   0.6387   58.200   0.6594 -0.9236000 0.9181000 
1 1 1  -14    6   21 o   12.960   0.5837   12.900   0.7978   13.020   0.8524 -0.1227000 1.167000 
1 1 1  -14    6   22 o   20.120   0.3898   20.040   0.5247   20.210   0.5766 -0.1728000 0.7796000 
1 1 1  -14    6   23 o   12.280   0.6834   12.550   0.8581   12.010   1.0640 0.5384000 1.367000 
1 1 1  -14    6   24 o   3.7170   1.1370   3.2850   1.4720   4.1480   1.7350 -0.8629000 2.275000 
1 1 1  -14    6   25 o   13.880   0.5948   12.780   0.9132   14.970   0.7625 -2.191000 1.190000 
1 1 1  -14    6   26 o   13.470   0.5053   13.400   0.6806   13.530   0.7469 -0.1354000 1.011000 
1 1 1  -14    6   27 o   17.900   0.4057   17.160   0.5779   18.630   0.5696 -1.470000 0.8114000 
1 1 1  -14    6   28 o   11.560   0.6029   11.660   0.8278   11.450   0.8768 0.2054000 1.206000 
1 1 1  -14    6   29 o   27.520   0.3347   27.490   0.4640   27.560   0.4825 -0.7004000E-01 0.6694000 
1 1 1  -14    6   30 o   13.330   0.5764   13.420   0.7845   13.240   0.8447 0.1829000 1.153000 
1 1 1  -14    6   31 o   5.1450   1.3130   5.3130   1.9110   4.9780   1.8030 0.3348000 2.627000 
1 1 1  -14    6   32 o   4.5870   1.3330   5.3290   1.9950   3.8460   1.7690 1.482000 2.666000 
1 1 1  -14    6   33 o   5.9820   1.4370   6.1260   1.9670   5.8390   2.0940 0.2869000 2.873000 
1 1 1  -14    6   34 o   6.0240   1.3060   4.5790   1.8300   7.4700   1.8640 -2.891000 2.612000 
1 1 1  -14    6   35 o   4.4870   1.2840   5.1710   1.9090   3.8020   1.7190 1.368000 2.569000 
1 1 1  -14    6   36 o   4.2040   1.3040   4.5950   1.9200   3.8130   1.7660 0.7824000 2.609000 
1 1 1  -14    6   37 f   2.6280   0.9329   2.8190   1.4000   2.4360   1.2330 0.3830000 1.866000 
1 1 1  -14    8    1 o   28.250   0.2989   29.180   0.3770   27.320   0.4638 1.861000 0.5977000 
1 1 1  -14    8    2 o   26.760   0.2620   27.070   0.3708   26.460   0.3704 0.6064000 0.5241000 
1 1 1  -14    8    3 f   26.100   0.2632   25.110   0.3695   27.100   0.3750 -1.985000 0.5265000 
1 1 1  -14    8    4 o   52.590   0.3983   52.800   0.5646   52.390   0.5620 0.4072000 0.7966000 
1 1 1  -14    8    5 o   8.1620   0.5125   8.5540   0.6814   7.7700   0.7657 0.7844000 1.025000 
1 1 1  -14    8    6 o   5.8730   0.7324   5.3850   1.1250   6.3610   0.9383 -0.9759000 1.465000 
1 1 1  -14    8    7 o   48.590   0.3269   48.660   0.4627   48.530   0.4620 0.1303000 0.6539000 
1 1 1  -14    8    8 o   17.780   0.2796   18.010   0.3881   17.550   0.4025 0.4566000 0.5592000 
1 1 1  -14    8    9 o   45.610   0.3649   45.700   0.5169   45.520   0.5151 0.1786000 0.7297000 
1 1 1  -14    8   10 o   33.550   0.3111   33.580   0.4429   33.530   0.4371 0.5418000E-01 0.6223000 
1 1 1  -14    8   11 o   59.320   0.3913   59.560   0.5547   59.070   0.5519 0.4903000 0.7825000 
1 1 1  -14    8   12 o   47.790   0.3584   47.140   0.4614   48.440   0.5486 -1.298000 0.7168000 
1 1 1  -14    8   13 o   6.1830   0.9025   7.6670   0.9944   4.6990   1.5060 2.968000 1.805000 
1 1 1  -14    8   14 o   36.630   0.2983   36.630   0.4211   36.640   0.4225 -0.8556000E-02 0.5966000 
1 1 1  -14    8   15 o   46.990   0.3392   47.170   0.4800   46.800   0.4795 0.3711000 0.6784000 
1 1 1  -14    8   16 f   33.850   0.3114   34.130   0.4308   33.570   0.4499 0.5629000 0.6229000 
1 1 1  -14    8   17 o   19.410   0.4792   18.710   0.6805   20.110   0.6749 -1.395000 0.9584000 
1 1 1  -14    8   18 o   12.220   0.6308   12.510   0.8204   11.920   0.9583 0.5880000 1.262000 
1 1 1  -14    8   19 o   11.520   0.7346   11.700   0.9794   11.340   1.0950 0.3546000 1.469000 
1 1 1  -14    8   20 o   10.050   0.8307   9.7390   1.1260   10.350   1.2210 -0.6140000 1.661000 
1 1 1  -14    8   21 o   28.410   0.3395   28.500   0.4676   28.320   0.4924 0.1764000 0.6791000 
1 1 1  -14    8   22 o   15.340   0.5888   15.860   0.7318   14.810   0.9226 1.053000 1.178000 
1 1 1  -14    8   23 o   21.200   0.4254   21.110   0.5697   21.290   0.6319 -0.1768000 0.8508000 
1 1 1  -14    8   24 o   22.100   0.4263   22.990   0.5947   21.210   0.6111 1.779000 0.8527000 
1 1 1  -14    8   25 o   14.340   0.5795   14.900   0.7926   13.780   0.8456 1.118000 1.159000 
1 1 1  -14    8   26 o   11.450   0.5974   12.040   0.7663   10.850   0.9167 1.195000 1.195000 
1 1 1  -14    8   27 o   14.780   0.4810   15.470   0.6313   14.090   0.7258 1.379000 0.9620000 
1 1 1  -14    8   28 o   12.380   0.5700   12.530   0.7636   12.240   0.8465 0.2847000 1.140000 
1 1 1  -14    8   29 o   3.8420   1.1220   3.9690   1.5890   3.7140   1.5840 0.2546000 2.244000 
1 1 1  -14    8   30 o   6.2560   1.1870   6.6460   1.5950   5.8660   1.7570 0.7805000 2.373000 
1 1 1  -14    8   31 o   11.270   0.8686   10.560   1.3130   11.980   1.1380 -1.413000 1.737000 
1 1 1  -14    8   32 o   16.910   0.6024   17.220   0.8049   16.600   0.8965 0.6223000 1.205000 
1 1 1  -14    8   33 o   10.910   0.8892   10.930   1.1930   10.890   1.3190 0.4140000E-01 1.778000 
1 1 1  -14    8   34 o   3.3720   1.1060   3.6870   1.6440   3.0570   1.4790 0.6303000 2.212000 
1 1 1  -14    8   35 o   4.3280   1.3690   4.7220   2.0440   3.9340   1.8210 0.7880000 2.738000 
1 1 1  -14    8   36 o   4.0450   1.3080   3.9900   1.8730   4.1000   1.8270 -0.1100000 2.616000 
1 1 1  -14    8   37 o   2.4200   0.8712   2.3700   1.2130   2.4690   1.2500 -0.9895000E-01 1.742000 
1 1 1  -14   10    1 o   19.400   0.2701   19.030   0.3859   19.780   0.3780 -0.7493000 0.5402000 
1 1 1  -14   10    2 o   43.840   0.3038   43.680   0.4287   44.000   0.4307 -0.3176000 0.6077000 
1 1 1  -14   10    3 o   65.630   0.4248   65.520   0.5998   65.740   0.6017 -0.2206000 0.8496000 
1 1 1  -14   10    4 o   32.060   0.2614   31.900   0.3685   32.230   0.3709 -0.3282000 0.5229000 
1 1 1  -14   10    5 o   10.610   0.5062   9.9780   0.7914   11.250   0.6315 -1.268000 1.012000 
1 1 1  -14   10    6 o   9.5580   0.6696   9.5420   1.0410   9.5750   0.8431 -0.3275000E-01 1.339000 
1 1 1  -14   10    7 o   27.790   0.3524   27.480   0.5545   28.110   0.4351 -0.6263000 0.7048000 
1 1 1  -14   10    8 o   73.770   0.5512   74.180   0.7838   73.360   0.7752 0.8225000 1.102000 
1 1 1  -14   10    9 o   25.390   0.2785   25.460   0.3845   25.320   0.4031 0.1416000 0.5571000 
1 1 1  -14   10   10 o  132.500   0.8391  132.200   1.1840  132.800   1.1890 -0.5878000 1.678000 
1 1 1  -14   10   11 o   70.960   0.4625   70.780   0.6519   71.130   0.6562 -0.3501000 0.9250000 
1 1 1  -14   10   12 o   70.830   0.4635   70.770   0.6545   70.890   0.6565 -0.1254000 0.9270000 
1 1 1  -14   10   13 o   56.320   0.3852   56.470   0.5447   56.160   0.5448 0.3051000 0.7704000 
1 1 1  -14   10   14 f   36.300   0.3137   36.230   0.4385   36.380   0.4487 -0.1594000 0.6274000 
1 1 1  -14   10   15 o   44.040   0.3971   43.900   0.5588   44.190   0.5643 -0.2966000 0.7942000 
1 1 1  -14   10   16 o   40.140   0.3931   40.400   0.5558   39.870   0.5561 0.5306000 0.7862000 
1 1 1  -14   10   17 o   11.580   0.6910   11.340   0.9648   11.820   0.9896 -0.4868000 1.382000 
1 1 1  -14   10   18 o   35.530   0.3750   35.200   0.5211   35.870   0.5393 -0.6634000 0.7500000 
1 1 1  -14   10   19 o   35.570   0.3722   36.140   0.5137   34.990   0.5387 1.157000 0.7443000 
1 1 1  -14   10   20 o   17.550   0.4596   17.780   0.6054   17.320   0.6918 0.4586000 0.9193000 
1 1 1  -14   10   21 o   29.890   0.3872   29.520   0.5232   30.250   0.5710 -0.7270000 0.7744000 
1 1 1  -14   10   22 o   13.040   0.6720   12.810   0.8815   13.260   1.0150 -0.4482000 1.344000 
1 1 1  -14   10   23 o   12.060   0.6149   12.820   0.7859   11.310   0.9460 1.518000 1.230000 
1 1 1  -14   10   24 o   17.330   0.4956   18.250   0.6708   16.410   0.7297 1.836000 0.9912000 
1 1 1  -14   10   25 o   11.060   0.6492   11.910   0.8047   10.200   1.0190 1.709000 1.298000 
1 1 1  -14   10   26 f   13.420   0.5370   12.590   0.7636   14.250   0.7554 -1.662000 1.074000 
1 1 1  -14   10   27 o   19.270   0.4004   19.810   0.5330   18.730   0.5977 1.085000 0.8008000 
1 1 1  -14   10   28 o   14.290   0.5253   14.200   0.7156   14.380   0.7692 -0.1777000 1.051000 
1 1 1  -14   10   29 o   9.2550   0.8543   9.7490   1.0900   8.7610   1.3160 0.9875000 1.709000 
1 1 1  -14   10   30 o   15.540   0.6311   15.640   0.8980   15.450   0.8871 0.1897000 1.262000 
1 1 1  -14   10   31 o   9.0050   1.0170   8.1490   1.6020   9.8610   1.2550 -1.712000 2.035000 
1 1 1  -14   10   32 o   5.5870   1.4390   4.6210   1.9750   6.5540   2.0940 -1.932000 2.879000 
1 1 1  -14   10   33 o   4.3840   1.3270   3.9550   1.8290   4.8140   1.9240 -0.8592000 2.655000 
1 1 1  -14   10   34 o   4.5430   1.4510   4.5620   2.1200   4.5250   1.9810 0.3645000E-01 2.902000 
1 1 1  -14   10   35 o   3.8770   1.2080   3.0180   1.5130   4.7370   1.8840 -1.719000 2.416000 
1 1 1  -14   10   36 o   2.8740   1.0050   2.8730   1.4200   2.8750   1.4230 -0.1682000E-02 2.010000 
1 1 1  -14   12    1 o   44.080   0.3617   44.180   0.5104   43.980   0.5127 0.2091000 0.7234000 
1 1 1  -14   12    2 o   59.230   0.4520   58.870   0.6349   59.590   0.6434 -0.7171000 0.9039000 
1 1 1  -14   12    3 o   44.480   0.3639   44.490   0.5121   44.470   0.5173 0.1062000E-01 0.7279000 
1 1 1  -14   12    4 o   11.320   0.5518   11.150   0.7722   11.490   0.7885 -0.3411000 1.104000 
1 1 1  -14   12    5 o   35.360   0.2863   35.140   0.3998   35.590   0.4101 -0.4489000 0.5727000 
1 1 1  -14   12    6 o   53.770   0.3648   53.600   0.5122   53.930   0.5196 -0.3310000 0.7296000 
1 1 1  -14   12    7 o   45.820   0.3282   46.100   0.4614   45.540   0.4668 0.5530000 0.6564000 
1 1 1  -14   12    8 o   89.570   0.5742   89.330   0.8091   89.820   0.8150 -0.4920000 1.148000 
1 1 1  -14   12    9 o   87.560   0.5629   87.210   0.7927   87.910   0.7995 -0.6966000 1.126000 
1 1 1  -14   12   10 o   5.1630   1.0930   6.1370   1.4820   4.1890   1.6080 1.948000 2.187000 
1 1 1  -14   12   11 o   56.470   0.3903   56.200   0.5490   56.730   0.5550 -0.5312000 0.7807000 
1 1 1  -14   12   12 o   64.230   0.4316   64.190   0.6093   64.270   0.6113 -0.7942000E-01 0.8631000 
1 1 1  -14   12   13 o   40.430   0.3950   40.260   0.5534   40.600   0.5637 -0.3383000 0.7899000 
1 1 1  -14   12   14 o   39.540   0.4008   40.030   0.5647   39.050   0.5691 0.9784000 0.8017000 
1 1 1  -14   12   15 o   48.220   0.3659   47.840   0.5131   48.600   0.5217 -0.7589000 0.7317000 
1 1 1  -14   12   16 o   19.270   0.4625   18.470   0.6666   20.070   0.6413 -1.598000 0.9249000 
1 1 1  -14   12   17 o   65.950   0.5131   65.770   0.7215   66.130   0.7297 -0.3537000 1.026000 
1 1 1  -14   12   18 o   11.030   0.8217   11.960   1.0200   10.100   1.2890 1.855000 1.643000 
1 1 1  -14   12   19 o   14.530   0.5495   14.330   0.7519   14.740   0.8015 -0.4032000 1.099000 
1 1 1  -14   12   20 o   25.480   0.4262   25.570   0.5583   25.400   0.6440 0.1667000 0.8523000 
1 1 1  -14   12   21 o   34.340   0.3297   34.760   0.4587   33.910   0.4736 0.8477000 0.6593000 
1 1 1  -14   12   22 o   10.900   0.6510   10.620   0.8935   11.190   0.9471 -0.5704000 1.302000 
1 1 1  -14   12   23 o   14.380   0.6056   14.710   0.8182   14.050   0.8931 0.6513000 1.211000 
1 1 1  -14   12   24 o   7.8520   0.9250   8.3370   1.1580   7.3680   1.4420 0.9692000 1.850000 
1 1 1  -14   12   25 o   22.820   0.3632   22.630   0.4953   23.010   0.5314 -0.3823000 0.7264000 
1 1 1  -14   12   26 o   17.610   0.4377   17.530   0.5954   17.690   0.6417 -0.1590000 0.8754000 
1 1 1  -14   12   27 o   21.840   0.4581   21.830   0.7142   21.850   0.5740 -0.2466000E-01 0.9162000 
1 1 1  -14   12   28 o   8.3020   1.1400   7.3740   1.8840   9.2300   1.2850 -1.855000 2.280000 
1 1 1  -14   12   29 o   8.8250   1.4920   9.7670   2.4090   7.8830   1.7610 1.884000 2.984000 
1 1 1  -14   12   30 o   13.010   0.7984   13.280   1.2230   12.740   1.0270 0.5353000 1.597000 
1 1 1  -14   12   31 o   7.7740   1.3620   6.6720   2.1230   8.8770   1.7060 -2.204000 2.724000 
1 1 1  -14   12   32 o   5.8480   1.2410   7.5810   1.7160   4.1150   1.7950 3.466000 2.483000 
1 1 1  -14   12   33 o   13.130   0.9158   14.490   1.0780   11.770   1.4810 2.720000 1.832000 
1 1 1  -14   12   34 f   4.7880   1.2810   3.0680   1.4950   6.5070   2.0800 -3.439000 2.561000 
1 1 1  -14   12   35 o   3.3470   1.1270   2.8380   1.4020   3.8560   1.7640 -1.018000 2.253000 
1 1 1  -14   14    1 o   43.800   0.3237   43.950   0.4582   43.650   0.4575 0.3046000 0.6475000 
1 1 1  -14   14    2 o   57.790   0.3897   57.370   0.5471   58.210   0.5550 -0.8339000 0.7793000 
1 1 1  -14   14    3 o   51.280   0.3572   51.400   0.5055   51.150   0.5048 0.2567000 0.7144000 
1 1 1  -14   14    4 o   44.370   0.3557   44.530   0.4641   44.210   0.5391 0.3112000 0.7113000 
1 1 1  -14   14    5 o   67.360   0.4444   67.430   0.6278   67.280   0.6293 0.1539000 0.8889000 
1 1 1  -14   14    6 o   47.160   0.3728   46.260   0.4765   48.060   0.5734 -1.800000 0.7456000 
1 1 1  -14   14    7 o   35.040   0.3362   35.240   0.4359   34.840   0.5121 0.3984000 0.6725000 
1 1 1  -14   14    8 o   52.240   0.3701   52.480   0.5195   52.010   0.5272 0.4741000 0.7402000 
1 1 1  -14   14    9 o   42.890   0.3997   42.310   0.5578   43.470   0.5727 -1.159000 0.7994000 
1 1 1  -14   14   10 o   57.970   0.4689   57.850   0.6613   58.080   0.6649 -0.2308000 0.9378000 
1 1 1  -14   14   11 o   5.1200   1.3490   4.2900   1.8240   5.9490   1.9880 -1.659000 2.698000 
1 1 1  -14   14   12 o   43.080   0.3567   42.830   0.5022   43.320   0.5067 -0.4921000 0.7134000 
1 1 1  -14   14   13 o   78.180   0.5158   77.950   0.7274   78.400   0.7315 -0.4467000 1.032000 
1 1 1  -14   14   14 o   32.270   0.3564   32.610   0.4929   31.940   0.5149 0.6739000 0.7128000 
1 1 1  -14   14   15 f   61.760   0.4629   61.340   0.6039   62.180   0.7018 -0.8423000 0.9258000 
1 1 1  -14   14   16 o   12.400   0.7457   11.990   1.0670   12.820   1.0420 -0.8304000 1.491000 
1 1 1  -14   14   17 o   5.1490   1.2270   3.7840   1.6260   6.5140   1.8380 -2.731000 2.454000 
1 1 1  -14   14   18 o   22.290   0.4680   22.230   0.6119   22.350   0.7083 -0.1274000 0.9360000 
1 1 1  -14   14   19 o   22.600   0.3969   22.930   0.5433   22.270   0.5788 0.6608000 0.7938000 
1 1 1  -14   14   20 o   37.300   0.3367   37.500   0.4659   37.100   0.4862 0.4044000 0.6734000 
1 1 1  -14   14   21 o   11.150   0.6884   11.230   0.9226   11.060   1.0220 0.1723000 1.377000 
1 1 1  -14   14   22 o   28.960   0.4179   29.380   0.6151   28.550   0.5659 0.8248000 0.8358000 
1 1 1  -14   14   23 o   8.5520   0.9836   9.1490   1.3850   7.9550   1.3980 1.193000 1.967000 
1 1 1  -14   14   24 o   27.330   0.4039   27.400   0.6300   27.260   0.5055 0.1369000 0.8078000 
1 1 1  -14   14   25 o   24.960   0.4266   24.540   0.6650   25.380   0.5344 -0.8395000 0.8531000 
1 1 1  -14   14   26 o   24.260   0.4340   24.530   0.6744   23.990   0.5465 0.5433000 0.8680000 
1 1 1  -14   14   27 o   11.650   0.7263   11.650   1.0030   11.650   1.0510 0.2231000E-02 1.453000 
1 1 1  -14   14   28 o   4.3290   1.2940   4.1150   1.7980   4.5440   1.8600 -0.4293000 2.587000 
1 1 1  -14   14   29 o   7.5320   1.2300   6.1470   1.7860   8.9160   1.6910 -2.769000 2.459000 
1 1 1  -14   14   30 o   16.150   0.6634   15.640   0.9070   16.650   0.9683 -1.006000 1.327000 
1 1 1  -14   14   31 o   3.8240   1.2200   3.9750   1.7400   3.6730   1.7100 0.3016000 2.439000 
1 1 1  -14   14   32 o   4.7990   1.4230   3.9540   1.8570   5.6440   2.1560 -1.689000 2.846000 
1 1 1  -14   14   33 f   3.9510   1.2710   3.6400   1.6960   4.2610   1.8940 -0.6202000 2.543000 
1 1 1  -14   14   34 o   2.9930   1.0180   2.5550   1.2720   3.4310   1.5890 -0.8766000 2.036000 
1 1 1  -14   14   35 o   2.1180   1.1000   2.1180   1.1000  ?   ?       ?      ? 
1 1 1  -14   16    1 o   60.900   0.4774   61.180   0.6778   60.620   0.6725 0.5594000 0.9548000 
1 1 1  -14   16    2 o   19.790   0.4691   20.180   0.6576   19.410   0.6691 0.7703000 0.9381000 
1 1 1  -14   16    3 o   49.910   0.4679   49.780   0.5889   50.030   0.7272 -0.2552000 0.9357000 
1 1 1  -14   16    4 o   99.100   0.7353   98.290   1.0320   99.910   1.0480 -1.626000 1.471000 
1 1 1  -14   16    5 o   26.380   0.4193   27.170   0.5706   25.580   0.6145 1.588000 0.8385000 
1 1 1  -14   16    6 o   76.080   0.5797   76.130   0.8180   76.020   0.8215 0.1112000 1.159000 
1 1 1  -14   16    7 o   17.090   0.5957   16.700   0.8423   17.470   0.8425 -0.7686000 1.191000 
1 1 1  -14   16    8 f   68.700   0.5011   69.440   0.7606   67.970   0.6525 1.471000 1.002000 
1 1 1  -14   16    9 f   34.270   0.4069   35.080   0.5578   33.460   0.5926 1.624000 0.8139000 
1 1 1  -14   16   10 o   19.960   0.4879   19.720   0.7195   20.190   0.6592 -0.4693000 0.9758000 
1 1 1  -14   16   11 o   13.750   0.6699   15.300   0.8118   12.190   1.0660 3.113000 1.340000 
1 1 1  -14   16   12 o   33.240   0.3580   32.980   0.4991   33.500   0.5134 -0.5192000 0.7161000 
1 1 1  -14   16   13 o   26.610   0.4314   26.760   0.6048   26.470   0.6154 0.2845000 0.8628000 
1 1 1  -14   16   14 o   45.470   0.4115   45.050   0.5747   45.890   0.5891 -0.8387000 0.8230000 
1 1 1  -14   16   15 o   23.620   0.4769   23.270   0.6583   23.970   0.6901 -0.7047000 0.9537000 
1 1 1  -14   16   16 o   26.310   0.4477   26.480   0.6067   26.150   0.6584 0.3327000 0.8953000 
1 1 1  -14   16   17 o   22.580   0.4631   21.980   0.7302   23.190   0.5697 -1.210000 0.9262000 
1 1 1  -14   16   18 o   6.7780   1.2100   5.3200   1.9500   8.2350   1.4320 -2.915000 2.419000 
1 1 1  -14   16   19 o   29.970   0.4011   29.550   0.6337   30.380   0.4920 -0.8321000 0.8022000 
1 1 1  -14   16   20 o   29.340   0.4241   28.600   0.6344   30.080   0.5630 -1.474000 0.8482000 
1 1 1  -14   16   21 o   20.280   0.4927   20.340   0.7240   20.230   0.6684 0.1034000 0.9854000 
1 1 1  -14   16   22 o   9.3580   0.8196   9.4240   1.0740   9.2920   1.2380 0.1315000 1.639000 
1 1 1  -14   16   23 o   17.200   0.4536   16.830   0.6308   17.580   0.6520 -0.7520000 0.9072000 
1 1 1  -14   16   24 o   19.470   0.4267   20.030   0.5505   18.910   0.6519 1.119000 0.8533000 
1 1 1  -14   16   25 o   10.290   0.8038   11.320   0.9470   9.2450   1.2990 2.080000 1.608000 
1 1 1  -14   16   26 o   12.980   0.7777   13.450   1.0730   12.520   1.1260 0.9331000 1.555000 
1 1 1  -14   16   27 o   7.5140   1.3810   7.3600   1.9290   7.6690   1.9770 -0.3083000 2.762000 
1 1 1  -14   16   28 o   7.9970   1.1410   9.4330   1.2450   6.5600   1.9110 2.872000 2.281000 
1 1 1  -14   16   29 f   4.7470   1.3350   5.3250   1.9300   4.1700   1.8450 1.155000 2.670000 
1 1 1  -14   16   30 o   9.5550   1.1280   8.9220   1.6060   10.190   1.5830 -1.267000 2.255000 
1 1 1  -14   16   31 o   4.5350   1.3550   4.9560   1.9700   4.1140   1.8600 0.8425000 2.709000 
1 1 1  -14   16   32 o   3.3570   1.1150   3.1540   1.5050   3.5600   1.6460 -0.4056000 2.230000 
1 1 1  -14   16   33 o   4.0400   1.2260   4.1580   1.7540   3.9220   1.7130 0.2354000 2.452000 
1 1 1  -14   18    1 o   51.020   0.3776   50.770   0.5312   51.270   0.5369 -0.5015000 0.7553000 
1 1 1  -14   18    2 o   24.960   0.3940   24.940   0.5532   24.980   0.5611 -0.3585000E-01 0.7879000 
1 1 1  -14   18    3 o   47.350   0.3645   47.460   0.5145   47.240   0.5165 0.2283000 0.7290000 
1 1 1  -14   18    4 o   29.930   0.3583   29.240   0.5088   30.620   0.5045 -1.383000 0.7165000 
1 1 1  -14   18    5 o   16.920   0.5981   14.580   0.8481   19.260   0.8437 -4.686000 1.196000 
1 1 1  -14   18    6 o   19.240   0.4913   19.210   0.6690   19.280   0.7197 -0.6372000E-01 0.9826000 
1 1 1  -14   18    7 o   53.700   0.3939   53.080   0.5480   54.310   0.5661 -1.231000 0.7879000 
1 1 1  -14   18    8 o   27.140   0.3886   27.530   0.5286   26.750   0.5698 0.7832000 0.7773000 
1 1 1  -14   18    9 o   33.820   0.3564   33.960   0.4853   33.680   0.5222 0.2838000 0.7129000 
1 1 1  -14   18   10 o   11.280   0.9976   11.810   1.4880   10.760   1.3300 1.052000 1.995000 
1 1 1  -14   18   11 o   33.540   0.4494   33.420   0.6951   33.660   0.5699 -0.2487000 0.8989000 
1 1 1  -14   18   12 o   9.4170   1.4240   8.1420   2.4100   10.690   1.5170 -2.550000 2.848000 
1 1 1  -14   18   13 o   22.360   0.6348   21.960   1.0390   22.750   0.7304 -0.7861000 1.270000 
1 1 1  -14   18   14 o   27.620   0.4537   28.480   0.7173   26.760   0.5556 1.718000 0.9073000 
1 1 1  -14   18   15 o   22.050   0.4859   22.380   0.7569   21.730   0.6096 0.6462000 0.9719000 
1 1 1  -14   18   16 o   12.240   0.6667   12.440   0.8989   12.040   0.9847 0.4073000 1.333000 
1 1 1  -14   18   17 o   8.7650   0.9397   9.9960   1.0620   7.5340   1.5500 2.462000 1.879000 
1 1 1  -14   18   18 o   12.060   0.7383   12.370   0.9575   11.750   1.1240 0.6135000 1.477000 
1 1 1  -14   18   19 o   9.4510   0.9333   9.8400   1.2280   9.0620   1.4060 0.7781000 1.867000 
1 1 1  -14   18   20 o   33.310   0.3413   33.730   0.4786   32.890   0.4867 0.8477000 0.6826000 
1 1 1  -14   18   21 o   3.4810   1.0900   3.4530   1.5270   3.5090   1.5550 -0.5613000E-01 2.180000 
1 1 1  -14   18   22 o   5.5820   1.2280   5.4210   1.6990   5.7420   1.7720 -0.3207000 2.455000 
1 1 1  -14   18   23 o   21.460   0.4110   21.200   0.5712   21.720   0.5910 -0.5192000 0.8219000 
1 1 1  -14   18   24 o   6.6580   1.1660   8.1960   1.4430   5.1190   1.8310 3.077000 2.331000 
1 1 1  -14   18   25 o   10.590   1.0180   11.250   1.2870   9.9230   1.5790 1.326000 2.037000 
1 1 1  -14   18   26 o   4.3590   1.2550   4.4130   1.7350   4.3050   1.8140 0.1077000 2.510000 
1 1 1  -14   18   27 o   20.580   0.5006   21.190   0.6786   19.970   0.7362 1.221000 1.001000 
1 1 1  -14   18   28 o   8.2320   1.2660   7.3730   1.7780   9.0910   1.8010 -1.718000 2.531000 
1 1 1  -14   18   29 o   4.8160   1.3740   3.9100   1.7370   5.7220   2.1300 -1.812000 2.748000 
1 1 1  -14   18   30 o   3.9200   1.2570   3.1680   1.5200   4.6720   2.0030 -1.504000 2.514000 
1 1 1  -14   18   31 o   2.8450   0.9837   2.7690   1.3570   2.9210   1.4250 -0.1522000 1.967000 
1 1 1  -14   18   32 o   2.7480   0.9559   2.2290   1.1280   3.2680   1.5440 -1.039000 1.912000 
1 1 1  -14   20    1 o   35.260   0.4600   33.880   0.7209   36.630   0.5714 -2.751000 0.9200000 
1 1 1  -14   20    2 o   41.480   0.4103   41.230   0.5853   41.740   0.5751 -0.5097000 0.8206000 
1 1 1  -14   20    3 o   15.250   0.7529   14.690   1.2160   15.810   0.8875 -1.119000 1.506000 
1 1 1  -14   20    4 o   28.480   0.4728   28.550   0.7425   28.420   0.5855 0.1339000 0.9456000 
1 1 1  -14   20    5 o   8.8820   1.3210   7.9420   2.1220   9.8230   1.5730 -1.880000 2.642000 
1 1 1  -14   20    6 o   35.090   0.6115   34.790   0.9678   35.380   0.7478 -0.5946000 1.223000 
1 1 1  -14   20    7 o   19.990   0.7783   21.340   1.1390   18.640   1.0610 2.695000 1.557000 
1 1 1  -14   20    8 o   36.360   0.5635   36.530   0.9463   36.180   0.6122 0.3478000 1.127000 
1 1 1  -14   20    9 o   15.000   0.7415   15.020   1.0740   14.980   1.0230 0.3983000E-01 1.483000 
1 1 1  -14   20   10 f   11.650   0.7367   10.250   1.1030   13.050   0.9770 -2.800000 1.473000 
1 1 1  -14   20   11 o   32.080   0.3462   31.990   0.4728   32.170   0.5059 -0.1752000 0.6924000 
1 1 1  -14   20   12 o   24.500   0.3768   24.330   0.5139   24.660   0.5512 -0.3316000 0.7536000 
1 1 1  -14   20   13 o   20.120   0.4224   19.730   0.5702   20.500   0.6234 -0.7730000 0.8448000 
1 1 1  -14   20   14 o   33.700   0.3475   33.450   0.4804   33.940   0.5023 -0.4913000 0.6950000 
1 1 1  -14   20   15 o   27.300   0.3627   26.740   0.5117   27.860   0.5142 -1.119000 0.7254000 
1 1 1  -14   20   16 o   8.2660   1.1090   11.040   1.1380   5.4900   1.9050 5.550000 2.219000 
1 1 1  -14   20   17 o   12.240   0.7765   13.400   0.9639   11.080   1.2180 2.326000 1.553000 
1 1 1  -14   20   18 o   5.3560   1.2300   5.3680   1.7010   5.3430   1.7770 0.2524000E-01 2.460000 
1 1 1  -14   20   19 o   16.550   0.5069   16.670   0.6845   16.420   0.7477 0.2507000 1.014000 
1 1 1  -14   20   20 o   7.6190   1.0680   8.1930   1.3540   7.0450   1.6510 1.148000 2.136000 
1 1 1  -14   20   21 o   6.5010   1.1940   7.2820   1.5260   5.7190   1.8370 1.563000 2.389000 
1 1 1  -14   20   22 o   11.490   0.7845   11.890   1.0230   11.080   1.1900 0.8142000 1.569000 
1 1 1  -14   20   23 o   15.240   0.7290   14.540   1.0600   15.940   1.0010 -1.403000 1.458000 
1 1 1  -14   20   24 f   19.560   0.4888   20.300   0.6806   18.820   0.7017 1.481000 0.9776000 
1 1 1  -14   20   25 o   6.4530   1.3080   5.9760   1.8150   6.9310   1.8840 -0.9552000 2.616000 
1 1 1  -14   20   26 o   9.9880   0.9307   10.300   1.1930   9.6730   1.4290 0.6301000 1.861000 
1 1 1  -14   20   27 o   5.1550   1.3710   5.8880   1.9890   4.4220   1.8870 1.466000 2.741000 
1 1 1  -14   20   28 o   3.8110   1.2240   2.9640   1.4520   4.6590   1.9720 -1.695000 2.449000 
1 1 1  -14   20   29 o   4.1110   1.2870   3.7570   1.7060   4.4650   1.9280 -0.7081000 2.574000 
1 1 1  -14   20   30 o   3.0250   1.0280   3.0850   1.4670   2.9650   1.4410 0.1202000 2.056000 
1 1 1  -14   20   31 o   2.6820   0.9339   2.7580   1.3470   2.6060   1.2940 0.1518000 1.868000 
1 1 1  -14   22    1 o   27.820   0.4395   27.590   0.7200   28.040   0.5044 -0.4486000 0.8791000 
1 1 1  -14   22    2 o   34.200   0.3366   34.030   0.4751   34.380   0.4769 -0.3542000 0.6732000 
1 1 1  -14   22    3 o   21.160   0.4056   20.980   0.5734   21.350   0.5738 -0.3715000 0.8112000 
1 1 1  -14   22    4 o   27.470   0.3496   27.380   0.4907   27.560   0.4982 -0.1879000 0.6993000 
1 1 1  -14   22    5 o   30.310   0.3519   30.530   0.4777   30.080   0.5170 0.4476000 0.7039000 
1 1 1  -14   22    6 o   34.890   0.3447   34.350   0.4730   35.420   0.5017 -1.071000 0.6895000 
1 1 1  -14   22    7 o   13.890   0.5976   14.240   0.7865   13.540   0.9001 0.6993000 1.195000 
1 1 1  -14   22    8 o   21.370   0.4194   21.690   0.5606   21.040   0.6238 0.6489000 0.8387000 
1 1 1  -14   22    9 o   10.430   0.7730   10.700   1.0130   10.160   1.1680 0.5376000 1.546000 
1 1 1  -14   22   10 o   12.480   0.6781   10.540   1.0040   14.410   0.9116 -3.872000 1.356000 
1 1 1  -14   22   11 o   11.880   0.6984   10.650   1.0750   13.110   0.8913 -2.454000 1.397000 
1 1 1  -14   22   12 o   14.370   0.6289   14.920   0.8067   13.830   0.9649 1.091000 1.258000 
1 1 1  -14   22   13 o   9.8720   0.9072   8.5340   1.4190   11.210   1.1310 -2.677000 1.814000 
1 1 1  -14   22   14 o   5.6070   1.1640   7.3600   1.5930   3.8540   1.6980 3.506000 2.328000 
1 1 1  -14   22   15 o   10.380   0.8101   10.460   1.1450   10.290   1.1460 0.1646000 1.620000 
1 1 1  -14   22   16 o   6.7650   1.1740   5.9590   1.7260   7.5710   1.5920 -1.612000 2.348000 
1 1 1  -14   22   17 f   5.4760   1.2480   4.5840   1.7340   6.3690   1.7950 -1.785000 2.496000 
1 1 1  -14   22   18 o   19.920   0.4520   19.990   0.6222   19.850   0.6558 0.1427000 0.9039000 
1 1 1  -14   22   19 o   4.0470   1.1190   5.3210   1.7840   2.7730   1.3510 2.548000 2.238000 
1 1 1  -14   22   20 o   13.780   0.8395   13.040   1.2490   14.530   1.1230 -1.488000 1.679000 
1 1 1  -14   22   21 o   12.580   0.9061   12.130   1.3200   13.030   1.2420 -0.8949000 1.812000 
1 1 1  -14   22   22 o   5.3620   1.2350   6.7130   1.7720   4.0120   1.7220 2.701000 2.471000 
1 1 1  -14   22   23 o   7.8110   1.1690   7.4930   1.6430   8.1280   1.6630 -0.6355000 2.338000 
1 1 1  -14   22   24 o   4.5860   1.2410   3.2570   1.5230   5.9150   1.9610 -2.658000 2.483000 
1 1 1  -14   22   25 o   3.5730   1.1690   3.8670   1.7260   3.2790   1.5780 0.5874000 2.339000 
1 1 1  -14   22   26 o   6.2760   1.5430   6.9760   2.1710   5.5770   2.1920 1.399000 3.086000 
1 1 1  -14   22   27 o   4.0670   1.2420   5.0050   1.9690   3.1290   1.5160 1.876000 2.485000 
1 1 1  -14   22   28 o   3.4970   1.1360   3.2600   1.5300   3.7340   1.6800 -0.4739000 2.272000 
1 1 1  -14   22   29 o   4.2470   1.2520   3.8210   1.6800   4.6730   1.8570 -0.8515000 2.504000 
1 1 1  -14   24    1 o   5.0210   1.2000   4.1390   1.6720   5.9040   1.7220 -1.765000 2.400000 
1 1 1  -14   24    2 o   23.580   0.3733   23.680   0.5276   23.490   0.5282 0.1945000 0.7466000 
1 1 1  -14   24    3 o   25.790   0.3598   25.730   0.5100   25.850   0.5077 -0.1181000 0.7196000 
1 1 1  -14   24    4 o   20.910   0.4087   21.110   0.5675   20.710   0.5882 0.4067000 0.8173000 
1 1 1  -14   24    5 o   18.550   0.5178   18.470   0.7143   18.630   0.7499 -0.1517000 1.036000 
1 1 1  -14   24    6 o   15.000   0.6308   14.920   0.8696   15.080   0.9141 -0.1569000 1.262000 
1 1 1  -14   24    7 o   20.380   0.5499   20.470   0.6643   20.300   0.8764 0.1714000 1.100000 
1 1 1  -14   24    8 o   15.930   0.5996   15.560   0.8352   16.310   0.8604 -0.7467000 1.199000 
1 1 1  -14   24    9 o   18.690   0.5189   18.420   0.7192   18.970   0.7481 -0.5429000 1.038000 
1 1 1  -14   24   10 o   15.810   0.5952   15.180   0.8341   16.430   0.8493 -1.253000 1.190000 
1 1 1  -14   24   11 o   6.0160   1.2440   5.7480   1.7160   6.2840   1.8030 -0.5369000 2.489000 
1 1 1  -14   24   12 o   23.570   0.3980   23.750   0.5288   23.390   0.5948 0.3586000 0.7959000 
1 1 1  -14   24   13 o   6.3790   1.2090   6.1600   1.6410   6.5990   1.7750 -0.4394000 2.417000 
1 1 1  -14   24   14 o   5.1200   1.2750   4.8740   1.7440   5.3670   1.8590 -0.4930000 2.549000 
1 1 1  -14   24   15 f   18.840   0.4757   18.030   0.6695   19.650   0.6760 -1.619000 0.9514000 
1 1 1  -14   24   16 o   4.1980   1.2030   4.6480   1.7370   3.7480   1.6640 0.8998000 2.406000 
1 1 1  -14   24   17 o   10.710   1.0560   11.650   1.3160   9.7720   1.6530 1.880000 2.113000 
1 1 1  -14   24   18 o   6.7510   1.3920   5.0900   2.0250   8.4110   1.9090 -3.321000 2.784000 
1 1 1  -14   24   19 o   3.0970   1.0340   3.2380   1.5000   2.9560   1.4230 0.2823000 2.067000 
1 1 1  -14   24   20 o   13.690   0.6893   14.010   0.9290   13.360   1.0190 0.6426000 1.379000 
1 1 1  -14   24   21 o   7.6680   1.2150   8.8790   1.4570   6.4580   1.9460 2.422000 2.431000 
1 1 1  -14   24   22 o   4.3910   1.2900   4.2480   1.7670   4.5340   1.8810 -0.2867000 2.580000 
1 1 1  -14   24   23 o   4.1650   1.2570   5.0610   1.9640   3.2680   1.5680 1.793000 2.514000 
1 1 1  -14   24   24 o   5.8620   1.4340   7.4760   2.1110   4.2470   1.9420 3.228000 2.869000 
1 1 1  -14   24   25 o   3.2490   1.1050   3.1930   1.5390   3.3050   1.5870 -0.1118000 2.210000 
1 1 1  -14   24   26 o   2.9120   0.9963   3.2410   1.5210   2.5840   1.2870 0.6561000 1.993000 
1 1 1  -14   24   27 o   2.4470   0.8646   2.4400   1.2180   2.4540   1.2270 -0.1390000E-01 1.729000 
1 1 1  -14   26    1 o   15.130   0.5446   15.770   0.7399   14.490   0.7991 1.277000 1.089000 
1 1 1  -14   26    2 o   18.090   0.4705   18.880   0.6460   17.310   0.6843 1.574000 0.9410000 
1 1 1  -14   26    3 o   25.520   0.3704   25.280   0.5257   25.750   0.5220 -0.4755000 0.7408000 
1 1 1  -14   26    4 o   5.8150   1.2250   6.3190   1.6960   5.3120   1.7700 1.007000 2.451000 
1 1 1  -14   26    5 o   13.410   0.6170   13.600   0.8276   13.220   0.9152 0.3775000 1.234000 
1 1 1  -14   26    6 o   4.4120   1.2310   4.3320   1.7040   4.4920   1.7770 -0.1602000 2.462000 
1 1 1  -14   26    7 o   6.6470   1.1320   8.4570   1.3320   4.8370   1.8310 3.620000 2.264000 
1 1 1  -14   26    8 o   11.560   0.7264   11.740   0.9544   11.380   1.0950 0.3655000 1.453000 
1 1 1  -14   26    9 o   13.940   0.6078   14.170   0.8001   13.710   0.9151 0.4665000 1.216000 
1 1 1  -14   26   10 o   14.670   0.5847   14.840   0.7869   14.500   0.8651 0.3398000 1.169000 
1 1 1  -14   26   11 o   9.1500   0.9721   10.160   1.1310   8.1360   1.5810 2.028000 1.944000 
1 1 1  -14   26   12 o   3.8780   1.1810   3.6480   1.5940   4.1080   1.7440 -0.4603000 2.362000 
1 1 1  -14   26   13 o   14.330   0.7514   14.080   1.0110   14.580   1.1120 -0.4966000 1.503000 
1 1 1  -14   26   14 o   7.6140   1.3390   8.1090   1.7450   7.1200   2.0330 0.9892000 2.679000 
1 1 1  -14   26   15 o   7.1900   1.2020   7.5980   1.5580   6.7820   1.8320 0.8160000 2.405000 
1 1 1  -14   26   16 o   13.390   0.6835   12.330   1.0060   14.450   0.9257 -2.121000 1.367000 
1 1 1  -14   26   17 o   6.9270   1.1880   8.7050   1.4320   5.1490   1.8960 3.556000 2.376000 
1 1 1  -14   26   18 o   4.4760   1.2430   5.3390   1.8540   3.6130   1.6580 1.727000 2.487000 
1 1 1  -14   26   19 o   7.9770   1.2830   8.3380   1.7680   7.6160   1.8600 0.7218000 2.567000 
1 1 1  -14   26   20 o   7.5350   1.2330   9.2690   1.4840   5.8010   1.9690 3.468000 2.466000 
1 1 1  -14   26   21 o   9.3720   1.3790   9.7550   1.7650   8.9890   2.1210 0.7666000 2.759000 
1 1 1  -14   26   22 o   4.3270   1.3450   4.0540   1.8470   4.6000   1.9560 -0.5460000 2.690000 
1 1 1  -14   26   23 o   3.4090   1.1190   3.5230   1.6120   3.2940   1.5520 0.2287000 2.238000 
1 1 1  -14   26   24 o   2.6900   0.9375   2.4440   1.2200   2.9350   1.4240 -0.4919000 1.875000 
1 1 1  -14   26   25 o   3.2280   1.0740   3.1950   1.5050   3.2600   1.5340 -0.6474000E-01 2.149000 
1 1 1  -14   28    1 o   3.5970   1.1100   4.3380   1.7430   2.8560   1.3760 1.482000 2.220000 
1 1 1  -14   28    2 o   10.970   0.7722   10.370   1.1470   11.570   1.0350 -1.203000 1.544000 
1 1 1  -14   28    3 o   7.4760   1.1460   4.6990   1.8730   10.250   1.3200 -5.554000 2.292000 
1 1 1  -14   28    4 o   6.1850   1.2390   4.3540   1.8230   8.0160   1.6770 -3.662000 2.477000 
1 1 1  -14   28    5 o   11.830   0.8548   12.010   1.1620   11.650   1.2540 0.3583000 1.710000 
1 1 1  -14   28    6 o   24.540   0.4657   24.530   0.6468   24.540   0.6702 -0.1725000E-01 0.9314000 
1 1 1  -14   28    7 o   16.300   0.6513   15.590   0.9298   17.000   0.9122 -1.411000 1.303000 
1 1 1  -14   28    8 o   4.5130   1.3110   5.1980   1.9620   3.8280   1.7400 1.370000 2.623000 
1 1 1  -14   28    9 o   5.4840   1.3830   6.1540   1.9660   4.8130   1.9470 1.342000 2.766000 
1 1 1  -14   28   10 o   8.3210   1.0790   8.7870   1.3600   7.8550   1.6760 0.9315000 2.159000 
1 1 1  -14   28   11 o   8.1410   1.1240   7.4080   1.6380   8.8740   1.5400 -1.466000 2.248000 
1 1 1  -14   28   12 o   10.260   0.8724   10.440   1.1630   10.080   1.3010 0.3620000 1.745000 
1 1 1  -14   28   13 o   9.5240   0.9611   10.280   1.1890   8.7640   1.5110 1.520000 1.922000 
1 1 1  -14   28   14 o   5.0330   1.3190   5.1400   1.8490   4.9270   1.8830 0.2128000 2.639000 
1 1 1  -14   28   15 o   5.3880   1.3240   5.9370   1.8490   4.8380   1.8970 1.100000 2.649000 
1 1 1  -14   28   16 f   4.5470   1.2330   5.6160   1.8610   3.4770   1.6170 2.139000 2.465000 
1 1 1  -14   28   17 o   4.8260   1.3490   3.7210   1.7070   5.9300   2.0890 -2.208000 2.698000 
1 1 1  -14   28   18 o   7.5400   1.3120   10.600   1.6830   4.4800   2.0140 6.121000 2.625000 
1 1 1  -14   28   19 o   4.1930   1.3480   4.3390   1.9320   4.0470   1.8810 0.2917000 2.696000 
1 1 1  -14   28   20 o   4.7190   1.3240   4.5540   1.8340   4.8830   1.9090 -0.3287000 2.647000 
1 1 1  -14   28   21 o   5.3580   1.3470   5.1740   1.8660   5.5430   1.9440 -0.3685000 2.694000 
1 1 1  -14   28   22 o   2.1370   0.7719   2.0610   1.0510   2.2140   1.1310 -0.1531000 1.544000 
1 1 1  -14   28   23 o   2.0970   1.0900   2.0970   1.0900  ?   ?       ?      ? 
1 1 1  -14   30    1 o   12.240   0.7454   12.370   1.0250   12.120   1.0830 0.2469000 1.491000 
1 1 1  -14   30    2 o   8.1160   1.1430   8.2070   1.5720   8.0240   1.6590 0.1835000 2.285000 
1 1 1  -14   30    3 f   11.030   0.8302   11.630   1.0810   10.430   1.2600 1.207000 1.660000 
1 1 1  -14   30    4 o   13.470   0.7132   13.000   0.9476   13.950   1.0660 -0.9514000 1.426000 
1 1 1  -14   30    5 o   10.120   0.9158   10.900   1.1550   9.3470   1.4210 1.549000 1.832000 
1 1 1  -14   30    6 o   4.6380   1.2730   5.2620   1.8670   4.0130   1.7320 1.249000 2.547000 
1 1 1  -14   30    7 o   5.5170   1.3250   4.9750   1.8560   6.0600   1.8930 -1.086000 2.651000 
1 1 1  -14   30    8 o   7.4080   1.2130   6.1870   1.8580   8.6290   1.5610 -2.441000 2.426000 
1 1 1  -14   30    9 o   4.8380   1.2670   5.7580   1.8650   3.9170   1.7140 1.841000 2.533000 
1 1 1  -14   30   10 o   6.6780   1.2810   7.3460   1.7070   6.0100   1.9100 1.336000 2.562000 
1 1 1  -14   30   11 o   6.3660   1.3240   5.6160   1.8980   7.1170   1.8450 -1.502000 2.647000 
1 1 1  -14   30   12 o   6.3560   1.3300   6.0680   1.8560   6.6450   1.9060 -0.5767000 2.660000 
1 1 1  -14   30   13 o   5.5760   1.4790   6.6040   2.1760   4.5480   2.0050 2.056000 2.959000 
1 1 1  -14   30   14 f   5.1950   1.4790   5.7910   2.1520   4.5980   2.0280 1.193000 2.957000 
1 1 1  -14   30   15 o   3.8690   1.2670   4.1920   1.8680   3.5460   1.7130 0.6462000 2.535000 
1 1 1  -14   30   16 o   3.7980   1.1910   3.3960   1.5660   4.2010   1.7940 -0.8049000 2.382000 
1 1 1  -14   30   17 o   6.1170   1.4390   6.6890   1.8460   5.5450   2.2070 1.143000 2.877000 
1 1 1  -14   30   18 o   5.3920   1.2690   6.9090   1.7740   3.8740   1.8150 3.035000 2.538000 
1 1 1  -14   30   19 o   3.0440   1.0380   3.2230   1.5030   2.8650   1.4320 0.3579000 2.076000 
1 1 1  -14   32    1 o   4.2320   1.3180   4.1250   1.8270   4.3400   1.9010 -0.2145000 2.637000 
1 1 1  -14   32    2 o   7.8310   1.4040   8.0550   1.9000   7.6070   2.0660 0.4475000 2.807000 
1 1 1  -14   32    3 o   4.7070   1.3560   5.7070   2.0460   3.7070   1.7810 2.000000 2.713000 
1 1 1  -14   32    4 o   4.9190   1.4710   5.3030   2.1330   4.5340   2.0280 0.7693000 2.943000 
1 1 1  -14   32    5 o   3.8100   1.2680   3.9990   1.8440   3.6200   1.7410 0.3797000 2.537000 
1 1 1  -14   32    6 o   6.1730   1.5950   6.0570   2.1980   6.2890   2.3130 -0.2323000 3.191000 
1 1 1  -14   32    7 o   5.3450   1.4410   3.4880   1.6800   7.2020   2.3430 -3.715000 2.882000 
1 1 1  -14   32    8 o   5.7150   1.4400   7.3690   2.1730   4.0610   1.8900 3.308000 2.880000 
1 1 1  -14   32    9 o   3.8710   1.2540   3.6460   1.7230   4.0960   1.8220 -0.4498000 2.508000 
1 1 1  -14   32   10 o   10.570   1.0500   12.140   1.0620   8.9900   1.8120 3.154000 2.100000 
1 1 1  -14   32   11 o   4.6150   1.3680   3.6950   1.6470   5.5360   2.1840 -1.841000 2.735000 
1 1 1  -14   32   12 o   3.4300   1.1550   2.9830   1.4300   3.8770   1.8140 -0.8941000 2.310000 
1 1 1  -14   32   13 o   2.6240   0.9282   2.5610   1.2670   2.6860   1.3570 -0.1253000 1.856000 
1 1 1  -14   32   14 o   2.4630   0.8769   2.4820   1.2340   2.4440   1.2470 0.3850000E-01 1.754000 
1 1 1  -14   32   15 o   2.6290   0.9149   2.9340   1.4010   2.3240   1.1770 0.6107000 1.830000 
1 1 1  -14   34    1 o   2.6730   0.9337   2.8470   1.3800   2.4990   1.2590 0.3472000 1.867000 
1 1 1  -14   34    2 o   3.5370   1.1430   4.0510   1.7230   3.0230   1.5010 1.028000 2.286000 
1 1 1  -14   34    3 o   3.2820   1.0930   3.6740   1.6360   2.8910   1.4490 0.7837000 2.186000 
1 1 1  -14   34    4 o   2.3320   0.8354   2.4360   1.2170   2.2280   1.1450 0.2075000 1.671000 
1 1 1  -14   34    5 o   2.8780   0.9855   3.3490   1.5400   2.4080   1.2300 0.9413000 1.971000 
1 1 1  -14   34    6 o   2.8180   0.9734   3.1530   1.4800   2.4820   1.2640 0.6716000 1.947000 
1 1 1  -14   34    7 o   2.1830   0.7857   2.0940   1.0640   2.2720   1.1560 -0.1771000 1.571000 
1 1 1  -14   34    8 o   2.7210   0.9792   2.5510   1.2910   2.8920   1.4720 -0.3411000 1.958000 
1 1 1  -13    1    1 o   53.790   0.3686   54.400   0.5625   53.170   0.4764 1.227000 0.7372000 
1 1 1  -13    1    2 o   54.520   0.3730   54.750   0.5660   54.290   0.4860 0.4530000 0.7460000 
1 1 1  -13    1    3 o   72.470   0.4564   72.420   0.6453   72.520   0.6457 -0.9856000E-01 0.9129000 
1 1 1  -13    1    4 o   74.260   0.4677   74.800   0.6660   73.730   0.6568 1.072000 0.9353000 
1 1 1  -13    1    5 o   65.470   0.4773   65.420   0.6748   65.520   0.6752 -0.1017000 0.9546000 
1 1 1  -13    1    6 o  134.000   0.9738  133.500   1.3710  134.500   1.3830 -0.9789000 1.948000 
1 1 1  -13    1    7 o   41.830   0.2724   41.880   0.3856   41.790   0.3848 0.9563000E-01 0.5447000 
1 1 1  -13    1    8 o   62.170   0.3957   62.080   0.5587   62.260   0.5604 -0.1794000 0.7913000 
1 1 1  -13    1    9 o   22.430   0.1929   22.530   0.2734   22.330   0.2723 0.1999000 0.3859000 
1 1 1  -13    1   10 o   31.900   0.2288   31.780   0.3227   32.020   0.3243 -0.2369000 0.4575000 
1 1 1  -13    1   11 o   42.090   0.3999   41.900   0.5653   42.290   0.5657 -0.3846000 0.7997000 
1 1 1  -13    1   12 o   53.380   0.4023   53.530   0.5707   53.230   0.5671 0.2999000 0.8045000 
1 1 1  -13    1   13 o   52.850   0.3472   52.660   0.4892   53.040   0.4928 -0.3789000 0.6944000 
1 1 1  -13    1   14 o   38.960   0.2778   39.050   0.3937   38.880   0.3920 0.1684000 0.5556000 
1 1 1  -13    1   15 o   20.200   0.2682   19.950   0.3800   20.460   0.3786 -0.5153000 0.5364000 
1 1 1  -13    1   16 o   49.940   0.3415   50.150   0.4854   49.730   0.4804 0.4138000 0.6829000 
1 1 1  -13    1   17 o   44.050   0.3172   44.200   0.4504   43.910   0.4467 0.2936000 0.6344000 
1 1 1  -13    1   18 o   4.4900   0.9450   2.7110   1.2730   6.2700   1.3970 -3.559000 1.890000 
1 1 1  -13    1   19 o   37.180   0.3180   37.640   0.4485   36.720   0.4508 0.9242000 0.6359000 
1 1 1  -13    1   20 o   9.0630   1.1050   8.3080   1.6800   9.8170   1.4350 -1.509000 2.209000 
1 1 1  -13    1   21 o   45.530   0.3480   45.370   0.4922   45.700   0.4922 -0.3251000 0.6961000 
1 1 1  -13    1   22 o   32.560   0.3237   32.470   0.4566   32.640   0.4590 -0.1722000 0.6474000 
1 1 1  -13    1   23 o   27.970   0.3244   28.200   0.4587   27.730   0.4588 0.4716000 0.6487000 
1 1 1  -13    1   24 o   16.120   0.4501   15.710   0.6494   16.540   0.6235 -0.8357000 0.9003000 
1 1 1  -13    1   25 f   8.6230   1.2310   8.8390   1.6810   8.4070   1.7990 0.4328000 2.462000 
1 1 1  -13    1   26 o   17.160   0.4076   17.690   0.5528   16.630   0.5990 1.062000 0.8151000 
1 1 1  -13    1   27 o   10.280   0.6510   10.140   0.9296   10.410   0.9117 -0.2707000 1.302000 
1 1 1  -13    1   28 o   24.520   0.3345   24.420   0.4628   24.610   0.4830 -0.1821000 0.6689000 
1 1 1  -13    1   29 o   15.950   0.4669   15.880   0.6710   16.020   0.6493 -0.1425000 0.9337000 
1 1 1  -13    1   30 o   7.2260   1.0060   6.2560   1.5400   8.1960   1.2930 -1.940000 2.011000 
1 1 1  -13    1   31 o   9.5650   0.8065   9.1280   1.1780  10.0000   1.1020 -0.8733000 1.613000 
1 1 1  -13    1   32 f   8.6300   1.1160   9.3020   1.5220   7.9590   1.6330 1.343000 2.232000 
1 1 1  -13    1   33 o   15.630   0.8057   14.220   1.2200   17.040   1.0530 -2.824000 1.611000 
1 1 1  -13    1   34 o   8.4150   1.1420   8.5190   1.5400   8.3100   1.6880 0.2086000 2.285000 
1 1 1  -13    1   35 o   10.570   0.9718   12.030   1.1310   9.1000   1.5810 2.930000 1.944000 
1 1 1  -13    1   36 o   4.2890   1.2820   4.8400   1.9150   3.7380   1.7050 1.102000 2.565000 
1 1 1  -13    1   37 o   3.1080   1.0930   3.0990   1.5460   3.1170   1.5470 -0.1767000E-01 2.187000 
1 1 1  -13    1   38 o   2.2840   0.8214   2.3940   1.2150   2.1730   1.1060 0.2216000 1.643000 
1 1 1  -13    3    1 o   42.310   0.3133   42.020   0.4402   42.600   0.4458 -0.5770000 0.6266000 
1 1 1  -13    3    2 o   83.000   0.6760   83.270   1.0500   82.740   0.8513 0.5280000 1.352000 
1 1 1  -13    3    3 o  104.200   0.7568  103.800   1.0660  104.700   1.0750 -0.9057000 1.514000 
1 1 1  -13    3    4 o  127.300   0.8001  127.200   1.1310  127.400   1.1320 -0.2644000 1.600000 
1 1 1  -13    3    5 f   74.040   0.4686   74.240   0.6644   73.850   0.6611 0.3851000 0.9373000 
1 1 1  -13    3    6 f   40.840   0.3110   41.370   0.4440   40.300   0.4357 1.074000 0.6221000 
1 1 1  -13    3    7 o   66.760   0.4246   67.290   0.6050   66.230   0.5959 1.054000 0.8492000 
1 1 1  -13    3    8 o   46.500   0.3042   46.630   0.4311   46.370   0.4293 0.2550000 0.6084000 
1 1 1  -13    3    9 o   22.520   0.2035   22.530   0.2867   22.510   0.2888 0.2415000E-01 0.4070000 
1 1 1  -13    3   10 o   71.630   0.5275   71.580   0.7453   71.680   0.7468 -0.1049000 1.055000 
1 1 1  -13    3   11 o   24.610   0.2530   24.110   0.3614   25.100   0.3542 -0.9882000 0.5060000 
1 1 1  -13    3   12 o   16.340   0.2901   16.100   0.4218   16.580   0.3983 -0.4814000 0.5801000 
1 1 1  -13    3   13 f   21.230   0.2366   21.250   0.3338   21.220   0.3355 0.2859000E-01 0.4732000 
1 1 1  -13    3   14 o   65.110   0.4212   65.460   0.5985   64.770   0.5927 0.6902000 0.8423000 
1 1 1  -13    3   15 o   69.670   0.4502   69.540   0.6348   69.810   0.6384 -0.2699000 0.9004000 
1 1 1  -13    3   16 o   35.110   0.3364   35.920   0.5430   34.310   0.3973 1.603000 0.6728000 
1 1 1  -13    3   17 o   29.880   0.3126   29.400   0.4743   30.360   0.4073 -0.9636000 0.6252000 
1 1 1  -13    3   18 o   42.970   0.3256   43.180   0.4582   42.750   0.4628 0.4389000 0.6512000 
1 1 1  -13    3   19 o   22.220   0.4195   22.420   0.6009   22.030   0.5855 0.3951000 0.8390000 
1 1 1  -13    3   20 o   26.790   0.4538   27.530   0.6240   26.050   0.6589 1.476000 0.9075000 
1 1 1  -13    3   21 o   47.430   0.3538   47.300   0.4991   47.560   0.5017 -0.2598000 0.7077000 
1 1 1  -13    3   22 o   15.100   0.4889   14.730   0.6976   15.480   0.6852 -0.7551000 0.9778000 
1 1 1  -13    3   23 f   31.110   0.3178   31.210   0.4478   31.010   0.4509 0.1983000 0.6355000 
1 1 1  -13    3   24 o   20.270   0.4501   20.520   0.5878   20.030   0.6818 0.4819000 0.9002000 
1 1 1  -13    3   25 o   24.450   0.4672   24.440   0.5915   24.460   0.7234 -0.2408000E-01 0.9344000 
1 1 1  -13    3   26 o   5.5420   1.1300   6.1650   1.5010   4.9180   1.6910 1.247000 2.261000 
1 1 1  -13    3   27 o   19.260   0.3870   19.020   0.5340   19.510   0.5603 -0.4877000 0.7740000 
1 1 1  -13    3   28 o   11.680   0.5950   12.150   0.7799   11.200   0.8987 0.9512000 1.190000 
1 1 1  -13    3   29 o   8.8440   0.8108   9.2740   1.0510   8.4150   1.2350 0.8587000 1.622000 
1 1 1  -13    3   30 o   13.320   0.5594   12.430   0.8015   14.210   0.7807 -1.778000 1.119000 
1 1 1  -13    3   31 o   16.710   0.4852   16.980   0.6656   16.450   0.7061 0.5296000 0.9704000 
1 1 1  -13    3   32 o   3.2010   1.0740   3.4260   1.5910   2.9760   1.4430 0.4493000 2.148000 
1 1 1  -13    3   33 o   5.0450   1.3650   4.2630   1.7900   5.8270   2.0620 -1.564000 2.730000 
1 1 1  -13    3   34 f   4.0910   1.2380   3.7880   1.6710   4.3930   1.8270 -0.6051000 2.476000 
1 1 1  -13    3   35 o   6.8040   1.2190   8.9080   1.5540   4.6990   1.8780 4.208000 2.438000 
1 1 1  -13    3   36 o   3.9490   1.2750   3.7740   1.7340   4.1240   1.8690 -0.3496000 2.550000 
1 1 1  -13    3   37 o   3.2740   1.1150   2.8090   1.4020   3.7400   1.7340 -0.9312000 2.230000 
1 1 1  -13    5    1 o   66.510   0.4226   66.920   0.6013   66.110   0.5940 0.8157000 0.8452000 
1 1 1  -13    5    2 o   53.250   0.3424   53.350   0.4853   53.140   0.4832 0.2183000 0.6848000 
1 1 1  -13    5    3 o   40.920   0.2728   41.100   0.3872   40.740   0.3843 0.3563000 0.5456000 
1 1 1  -13    5    4 o   15.450   0.2597   15.650   0.3638   15.250   0.3706 0.4008000 0.5193000 
1 1 1  -13    5    5 o   84.150   0.6157   84.330   0.8721   83.970   0.8693 0.3579000 1.231000 
1 1 1  -13    5    6 o   92.910   0.5875   92.730   0.8291   93.100   0.8326 -0.3717000 1.175000 
1 1 1  -13    5    7 o   56.130   0.3631   56.210   0.5138   56.050   0.5132 0.1601000 0.7262000 
1 1 1  -13    5    8 o   16.910   0.2614   16.820   0.3624   17.010   0.3768 -0.1988000 0.5228000 
1 1 1  -13    5    9 o   44.810   0.3455   44.990   0.4898   44.630   0.4874 0.3628000 0.6910000 
1 1 1  -13    5   10 o   59.000   0.3829   59.010   0.5417   58.990   0.5414 0.1819000E-01 0.7659000 
1 1 1  -13    5   11 o   14.710   0.3297   15.160   0.4604   14.260   0.4722 0.8938000 0.6595000 
1 1 1  -13    5   12 o   42.510   0.2941   42.500   0.4159   42.510   0.4160 -0.1664000E-01 0.5882000 
1 1 1  -13    5   13 o   31.290   0.2542   31.290   0.3585   31.290   0.3606 0.2560000E-02 0.5085000 
1 1 1  -13    5   14 o   28.160   0.2582   28.520   0.3653   27.800   0.3649 0.7250000 0.5164000 
1 1 1  -13    5   15 o   52.240   0.3545   52.470   0.5019   52.000   0.5007 0.4746000 0.7090000 
1 1 1  -13    5   16 o   77.940   0.5032   78.050   0.7123   77.830   0.7110 0.2196000 1.006000 
1 1 1  -13    5   17 o   12.360   0.5108   12.500   0.6938   12.230   0.7498 0.2652000 1.022000 
1 1 1  -13    5   18 o   10.090   0.7906   10.070   1.1140   10.110   1.1220 -0.3213000E-01 1.581000 
1 1 1  -13    5   19 o   28.020   0.3823   28.190   0.5395   27.850   0.5418 0.3353000 0.7646000 
1 1 1  -13    5   20 o   29.900   0.3703   29.400   0.4984   30.390   0.5479 -0.9954000 0.7406000 
1 1 1  -13    5   21 o   54.580   0.3853   54.130   0.5398   55.030   0.5500 -0.8947000 0.7707000 
1 1 1  -13    5   22 o   11.250   0.6903   12.840   0.8024   9.6500   1.1230 3.190000 1.381000 
1 1 1  -13    5   23 f   5.5780   1.1700   5.2060   1.6420   5.9490   1.6680 -0.7424000 2.341000 
1 1 1  -13    5   24 o   13.850   0.6050   14.270   0.7833   13.430   0.9224 0.8398000 1.210000 
1 1 1  -13    5   25 o   6.9710   1.1460   6.4780   1.7150   7.4650   1.5190 -0.9864000 2.291000 
1 1 1  -13    5   26 o   16.670   0.4196   16.910   0.5707   16.420   0.6154 0.4887000 0.8393000 
1 1 1  -13    5   27 o   15.530   0.4494   15.430   0.6285   15.620   0.6424 -0.1970000 0.8987000 
1 1 1  -13    5   28 o   16.510   0.4419   17.030   0.5905   15.990   0.6575 1.036000 0.8838000 
1 1 1  -13    5   29 o   15.930   0.4705   15.680   0.6537   16.180   0.6768 -0.4950000 0.9410000 
1 1 1  -13    5   30 o   20.540   0.3974   20.110   0.5535   20.970   0.5705 -0.8608000 0.7949000 
1 1 1  -13    5   31 o   14.730   0.5408   14.330   0.7669   15.120   0.7626 -0.7876000 1.082000 
1 1 1  -13    5   32 o   5.7940   1.4240   6.0290   1.9580   5.5580   2.0680 0.4707000 2.847000 
1 1 1  -13    5   33 o   5.0810   1.3690   5.4170   1.9210   4.7450   1.9530 0.6719000 2.739000 
1 1 1  -13    5   34 o   10.780   0.9049   10.980   1.2030   10.570   1.3520 0.4162000 1.810000 
1 1 1  -13    5   35 f   13.330   0.7509   13.210   1.0450   13.460   1.0790 -0.2476000 1.502000 
1 1 1  -13    5   36 o   4.7180   1.3770   5.5860   2.0880   3.8500   1.7940 1.736000 2.753000 
1 1 1  -13    5   37 o   2.5320   0.9033   2.2830   1.1650   2.7810   1.3810 -0.4980000 1.807000 
1 1 1  -13    7    1 o   33.790   0.2444   33.860   0.3455   33.720   0.3458 0.1351000 0.4889000 
1 1 1  -13    7    2 f   21.050   0.2202   21.040   0.3109   21.070   0.3119 -0.2313000E-01 0.4404000 
1 1 1  -13    7    3 o   36.410   0.2585   36.050   0.3626   36.760   0.3685 -0.7164000 0.5170000 
1 1 1  -13    7    4 o   59.510   0.4430   59.300   0.6235   59.720   0.6295 -0.4212000 0.8860000 
1 1 1  -13    7    5 o   59.720   0.4454   59.380   0.6261   60.060   0.6337 -0.6774000 0.8908000 
1 1 1  -13    7    6 o   50.170   0.3824   50.520   0.5430   49.820   0.5385 0.7055000 0.7647000 
1 1 1  -13    7    7 o   26.920   0.2356   27.170   0.3315   26.680   0.3349 0.4871000 0.4712000 
1 1 1  -13    7    8 o   30.050   0.2445   29.950   0.3451   30.160   0.3466 -0.2153000 0.4891000 
1 1 1  -13    7    9 o   44.800   0.3064   45.060   0.4350   44.540   0.4316 0.5157000 0.6128000 
1 1 1  -13    7   10 o   50.510   0.3915   50.380   0.5526   50.650   0.5547 -0.2718000 0.7829000 
1 1 1  -13    7   11 o   21.830   0.2549   21.590   0.3571   22.080   0.3639 -0.4939000 0.5098000 
1 1 1  -13    7   12 o   17.510   0.2968   17.900   0.4028   17.120   0.4361 0.7776000 0.5937000 
1 1 1  -13    7   13 o   33.540   0.2722   33.490   0.3814   33.600   0.3886 -0.1085000 0.5445000 
1 1 1  -13    7   14 o   27.100   0.2812   27.270   0.3922   26.930   0.4030 0.3454000 0.5623000 
1 1 1  -13    7   15 o   78.970   0.5097   78.830   0.7192   79.110   0.7223 -0.2815000 1.019000 
1 1 1  -13    7   16 o   14.810   0.4430   14.690   0.6146   14.930   0.6382 -0.2394000 0.8860000 
1 1 1  -13    7   17 f   27.330   0.3798   27.040   0.5308   27.630   0.5434 -0.5955000 0.7597000 
1 1 1  -13    7   18 o   6.4840   1.2610   6.6090   1.7500   6.3590   1.8160 0.2493000 2.522000 
1 1 1  -13    7   19 o   41.850   0.3831   41.240   0.5303   42.450   0.5530 -1.208000 0.7662000 
1 1 1  -13    7   20 o   43.090   0.3892   43.080   0.5398   43.100   0.5609 -0.2840000E-01 0.7784000 
1 1 1  -13    7   21 f   24.850   0.3513   24.820   0.4841   24.890   0.5091 -0.7212000E-01 0.7026000 
1 1 1  -13    7   22 o   36.170   0.3254   35.910   0.4556   36.430   0.4647 -0.5151000 0.6508000 
1 1 1  -13    7   23 o   10.870   0.7923   12.100   0.8942   9.6390   1.3080 2.460000 1.585000 
1 1 1  -13    7   24 o   12.890   0.6370   12.280   0.9462   13.490   0.8530 -1.211000 1.274000 
1 1 1  -13    7   25 o   13.230   0.6164   13.160   0.8957   13.300   0.8469 -0.1431000 1.233000 
1 1 1  -13    7   26 o   19.890   0.3743   20.300   0.5009   19.490   0.5564 0.8134000 0.7487000 
1 1 1  -13    7   27 o   19.740   0.3763   19.710   0.5211   19.760   0.5429 -0.5062000E-01 0.7525000 
1 1 1  -13    7   28 o   6.1300   1.0850   5.1640   1.6120   7.0960   1.4540 -1.932000 2.171000 
1 1 1  -13    7   29 o   8.5480   0.8606   8.8650   1.1030   8.2310   1.3210 0.6343000 1.721000 
1 1 1  -13    7   30 o   14.940   0.5208   14.700   0.7318   15.180   0.7413 -0.4833000 1.042000 
1 1 1  -13    7   31 o   5.2020   1.3160   4.4010   1.8180   6.0030   1.9030 -1.602000 2.632000 
1 1 1  -13    7   32 o   7.2180   1.3050   5.8920   1.9090   8.5440   1.7790 -2.652000 2.609000 
1 1 1  -13    7   33 o   5.6530   1.3660   5.6660   1.9030   5.6400   1.9600 0.2630000E-01 2.732000 
1 1 1  -13    7   34 o   6.0590   1.3720   5.5200   1.8880   6.5980   1.9920 -1.078000 2.744000 
1 1 1  -13    7   35 o   6.3380   1.4800   6.6960   2.0270   5.9800   2.1570 0.7151000 2.960000 
1 1 1  -13    7   36 o   4.7700   1.3870   5.5320   2.1010   4.0080   1.8100 1.524000 2.773000 
1 1 1  -13    7   37 o   3.2410   1.0810   3.6290   1.6520   2.8530   1.3930 0.7757000 2.161000 
1 1 1  -13    9    1 o   12.040   0.3532   11.800   0.5033   12.280   0.4956 -0.4780000 0.7064000 
1 1 1  -13    9    2 o   18.380   0.2619   18.800   0.3664   17.950   0.3742 0.8583000 0.5237000 
1 1 1  -13    9    3 o   10.760   0.3986   11.180   0.5451   10.340   0.5818 0.8443000 0.7972000 
1 1 1  -13    9    4 o   37.510   0.2731   37.250   0.3835   37.760   0.3888 -0.5120000 0.5461000 
1 1 1  -13    9    5 o   20.430   0.2597   20.360   0.3624   20.500   0.3721 -0.1445000 0.5194000 
1 1 1  -13    9    6 o   93.700   0.5958   93.610   0.8419   93.790   0.8433 -0.1788000 1.192000 
1 1 1  -13    9    7 o   34.220   0.2682   34.090   0.3782   34.350   0.3803 -0.2509000 0.5364000 
1 1 1  -13    9    8 o   27.490   0.2990   27.360   0.4219   27.610   0.4238 -0.2522000 0.5980000 
1 1 1  -13    9    9 o   13.360   0.4378   12.430   0.6486   14.290   0.5883 -1.855000 0.8756000 
1 1 1  -13    9   10 o   76.830   0.4945   76.530   0.6960   77.140   0.7026 -0.6106000 0.9890000 
1 1 1  -13    9   11 o   64.070   0.4205   63.910   0.5923   64.220   0.5970 -0.3129000 0.8410000 
1 1 1  -13    9   12 f   98.110   0.6251   97.760   0.8806   98.470   0.8873 -0.7082000 1.250000 
1 1 1  -13    9   13 o   17.760   0.3669   18.190   0.5007   17.320   0.5364 0.8693000 0.7338000 
1 1 1  -13    9   14 o   5.3630   1.0800   5.6620   1.4810   5.0650   1.5720 0.5976000 2.160000 
1 1 1  -13    9   15 o   77.750   0.5056   77.770   0.7145   77.740   0.7156 0.2406000E-01 1.011000 
1 1 1  -13    9   16 o   54.030   0.4412   54.000   0.6242   54.070   0.6238 -0.6507000E-01 0.8825000 
1 1 1  -13    9   17 o   23.240   0.4473   23.190   0.6238   23.280   0.6412 -0.8832000E-01 0.8945000 
1 1 1  -13    9   18 o   26.490   0.3580   26.460   0.4920   26.510   0.5202 -0.4533000E-01 0.7160000 
1 1 1  -13    9   19 o   9.1490   0.9268   8.3620   1.3600   9.9360   1.2590 -1.574000 1.854000 
1 1 1  -13    9   20 o   58.270   0.4071   57.940   0.5721   58.590   0.5795 -0.6492000 0.8143000 
1 1 1  -13    9   21 o   32.810   0.3303   32.260   0.4593   33.360   0.4749 -1.102000 0.6606000 
1 1 1  -13    9   22 o   35.120   0.3797   34.830   0.5148   35.400   0.5584 -0.5711000 0.7595000 
1 1 1  -13    9   23 o   21.990   0.3735   22.330   0.5006   21.640   0.5545 0.6933000 0.7470000 
1 1 1  -13    9   24 o   32.960   0.3764   33.240   0.5348   32.680   0.5299 0.5617000 0.7529000 
1 1 1  -13    9   25 o   29.120   0.3226   29.090   0.4479   29.140   0.4645 -0.4931000E-01 0.6452000 
1 1 1  -13    9   26 o   11.680   0.6080   12.330   0.7671   11.030   0.9436 1.305000 1.216000 
1 1 1  -13    9   27 o   15.090   0.4830   15.930   0.6221   14.260   0.7390 1.669000 0.9660000 
1 1 1  -13    9   28 o   20.290   0.3899   20.590   0.5231   20.000   0.5784 0.5879000 0.7799000 
1 1 1  -13    9   29 o   6.9700   1.0650   6.8150   1.4490   7.1260   1.5610 -0.3106000 2.130000 
1 1 1  -13    9   30 o   5.1980   1.3000   6.1400   1.8890   4.2560   1.7860 1.884000 2.600000 
1 1 1  -13    9   31 o   3.9880   1.2290   3.4030   1.5910   4.5720   1.8730 -1.169000 2.458000 
1 1 1  -13    9   32 o   11.560   0.8858   11.940   1.1400   11.180   1.3560 0.7529000 1.772000 
1 1 1  -13    9   33 o   4.1170   1.2530   4.2160   1.7660   4.0180   1.7770 0.1980000 2.506000 
1 1 1  -13    9   34 o   3.5890   1.1550   2.9120   1.4120   4.2670   1.8280 -1.355000 2.310000 
1 1 1  -13    9   35 o   3.9290   1.2710   3.6880   1.7060   4.1700   1.8830 -0.4820000 2.541000 
1 1 1  -13    9   36 o   3.4000   1.1510   2.9870   1.4880   3.8120   1.7570 -0.8252000 2.302000 
1 1 1  -13   11    1 o   54.510   0.4187   54.240   0.5888   54.780   0.5954 -0.5448000 0.8374000 
1 1 1  -13   11    2 o   40.960   0.3399   41.110   0.4809   40.810   0.4806 0.2990000 0.6799000 
1 1 1  -13   11    3 f   77.040   0.5716   76.980   0.8074   77.100   0.8093 -0.1146000 1.143000 
1 1 1  -13   11    4 o   74.540   0.5545   74.500   0.7834   74.580   0.7850 -0.7530000E-01 1.109000 
1 1 1  -13   11    5 o   62.070   0.4710   62.470   0.6683   61.660   0.6637 0.8107000 0.9419000 
1 1 1  -13   11    6 o   13.950   0.4513   13.350   0.6481   14.550   0.6282 -1.205000 0.9026000 
1 1 1  -13   11    7 o   16.930   0.3450   17.300   0.4713   16.560   0.5039 0.7354000 0.6900000 
1 1 1  -13   11    8 o   75.430   0.4878   75.550   0.6899   75.320   0.6898 0.2375000 0.9756000 
1 1 1  -13   11    9 o   59.500   0.3977   59.090   0.5579   59.910   0.5669 -0.8239000 0.7954000 
1 1 1  -13   11   10 o   95.110   0.6076   94.480   0.8533   95.730   0.8651 -1.248000 1.215000 
1 1 1  -13   11   11 o   69.300   0.4551   68.790   0.6390   69.800   0.6482 -1.019000 0.9102000 
1 1 1  -13   11   12 o   56.570   0.3880   56.590   0.5475   56.550   0.5500 0.3994000E-01 0.7760000 
1 1 1  -13   11   13 o   42.870   0.3331   42.650   0.4690   43.100   0.4731 -0.4407000 0.6662000 
1 1 1  -13   11   14 o   33.820   0.3841   33.520   0.5352   34.120   0.5511 -0.5957000 0.7682000 
1 1 1  -13   11   15 o   14.580   0.6740   15.060   0.9028   14.100   1.0010 0.9615000 1.348000 
1 1 1  -13   11   16 o   58.970   0.4126   58.590   0.5783   59.350   0.5887 -0.7694000 0.8252000 
1 1 1  -13   11   17 o   29.940   0.3711   29.780   0.4946   30.100   0.5534 -0.3225000 0.7422000 
1 1 1  -13   11   18 o   30.710   0.3833   30.910   0.5248   30.510   0.5588 0.4011000 0.7666000 
1 1 1  -13   11   19 o   26.340   0.3957   26.820   0.6017   25.860   0.5140 0.9540000 0.7914000 
1 1 1  -13   11   20 o   10.030   0.9571   10.930   1.0610   9.1180   1.5930 1.814000 1.914000 
1 1 1  -13   11   21 o   6.6800   1.2420   7.2240   1.5550   6.1360   1.9380 1.089000 2.484000 
1 1 1  -13   11   22 o   11.380   0.6571   12.240   0.8006   10.520   1.0420 1.720000 1.314000 
1 1 1  -13   11   23 o   10.450   0.8121   9.2730   1.2600   11.620   1.0250 -2.350000 1.624000 
1 1 1  -13   11   24 o   13.100   0.5888   13.430   0.7284   12.770   0.9253 0.6604000 1.178000 
1 1 1  -13   11   25 o   6.5150   1.0870   6.5810   1.4570   6.4480   1.6130 0.1336000 2.174000 
1 1 1  -13   11   26 o   8.8440   0.8173   8.6290   1.1210   9.0600   1.1890 -0.4307000 1.635000 
1 1 1  -13   11   27 o   10.710   0.6906   10.790   0.9175   10.630   1.0320 0.1663000 1.381000 
1 1 1  -13   11   28 o   7.0610   1.0740   6.2840   1.5640   7.8380   1.4720 -1.555000 2.147000 
1 1 1  -13   11   29 o   8.9710   1.0780   9.7680   1.3950   8.1740   1.6450 1.594000 2.157000 
1 1 1  -13   11   30 o   8.0640   1.2390   9.0350   1.5690   7.0940   1.9180 1.941000 2.478000 
1 1 1  -13   11   31 o   6.2670   1.3230   7.1940   1.7430   5.3390   1.9910 1.855000 2.647000 
1 1 1  -13   11   32 o   5.0160   1.4280   5.3080   2.1350   4.7230   1.8970 0.5852000 2.856000 
1 1 1  -13   11   33 o   4.3730   1.3220   3.7580   1.7880   4.9880   1.9480 -1.230000 2.644000 
1 1 1  -13   11   34 o   3.9660   1.2960   3.2800   1.6550   4.6520   1.9950 -1.372000 2.592000 
1 1 1  -13   11   35 o   2.7400   0.9629   2.4630   1.2560   3.0170   1.4600 -0.5543000 1.926000 
1 1 1  -13   11   36 o   2.5830   0.9172   2.7910   1.3830   2.3750   1.2050 0.4163000 1.834000 
1 1 1  -13   13    1 o   20.240   0.3421   19.780   0.4480   20.700   0.5172 -0.9239000 0.6842000 
1 1 1  -13   13    2 o   16.780   0.3527   16.400   0.4997   17.160   0.4978 -0.7633000 0.7054000 
1 1 1  -13   13    3 o   56.800   0.3803   56.810   0.5371   56.790   0.5384 0.2304000E-01 0.7605000 
1 1 1  -13   13    4 f   22.210   0.3312   22.320   0.4267   22.090   0.5067 0.2346000 0.6624000 
1 1 1  -13   13    5 o   84.060   0.5399   83.630   0.7591   84.480   0.7680 -0.8493000 1.080000 
1 1 1  -13   13    6 o   28.750   0.2978   28.560   0.4119   28.940   0.4302 -0.3757000 0.5956000 
1 1 1  -13   13    7 o   45.840   0.3347   45.200   0.4665   46.470   0.4802 -1.273000 0.6694000 
1 1 1  -13   13    8 o   84.730   0.5464   84.530   0.7707   84.940   0.7747 -0.4155000 1.093000 
1 1 1  -13   13    9 o   73.770   0.4830   73.510   0.6805   74.020   0.6855 -0.5127000 0.9659000 
1 1 1  -13   13   10 o   54.080   0.3798   53.860   0.5357   54.290   0.5387 -0.4386000 0.7597000 
1 1 1  -13   13   11 o   56.060   0.4563   56.020   0.6432   56.090   0.6476 -0.6985000E-01 0.9127000 
1 1 1  -13   13   12 o   16.310   0.6020   16.010   0.8424   16.600   0.8601 -0.5925000 1.204000 
1 1 1  -13   13   13 o   89.830   0.6742   89.610   0.9504   90.050   0.9565 -0.4379000 1.348000 
1 1 1  -13   13   14 o   38.350   0.3459   37.960   0.4861   38.740   0.4923 -0.7781000 0.6918000 
1 1 1  -13   13   15 f   56.240   0.4033   55.840   0.5655   56.640   0.5752 -0.8018000 0.8067000 
1 1 1  -13   13   16 o   40.460   0.3946   40.550   0.5486   40.380   0.5673 0.1702000 0.7892000 
1 1 1  -13   13   17 o   40.510   0.3965   40.350   0.5473   40.670   0.5740 -0.3174000 0.7931000 
1 1 1  -13   13   18 o   35.430   0.3450   35.420   0.4776   35.440   0.4979 -0.1424000E-01 0.6900000 
1 1 1  -13   13   19 o   14.720   0.6497   14.980   0.8234   14.460   1.0050 0.5151000 1.299000 
1 1 1  -13   13   20 o   39.360   0.3408   39.200   0.4751   39.510   0.4887 -0.3107000 0.6816000 
1 1 1  -13   13   21 o   27.140   0.3517   27.390   0.4745   26.900   0.5191 0.4891000 0.7033000 
1 1 1  -13   13   22 o   22.860   0.4377   22.870   0.6039   22.850   0.6337 0.2087000E-01 0.8753000 
1 1 1  -13   13   23 o   9.2280   0.8252   9.5670   1.0480   8.8890   1.2750 0.6785000 1.650000 
1 1 1  -13   13   24 o   5.2320   1.1580   4.3050   1.6250   6.1580   1.6500 -1.853000 2.316000 
1 1 1  -13   13   25 o   31.620   0.3343   31.610   0.4602   31.630   0.4849 -0.1878000E-01 0.6686000 
1 1 1  -13   13   26 o   12.000   0.6467   12.620   0.7975   11.380   1.0180 1.249000 1.293000 
1 1 1  -13   13   27 o   12.820   0.6467   11.920   0.9804   13.710   0.8437 -1.786000 1.293000 
1 1 1  -13   13   28 o   11.200   1.3020   10.510   2.3140   11.890   1.1930 -1.380000 2.604000 
1 1 1  -13   13   29 o   5.2680   1.5450   5.9310   2.4540   4.6050   1.8760 1.326000 3.089000 
1 1 1  -13   13   30 o   5.7400   1.4180   6.6600   2.1210   4.8190   1.8830 1.840000 2.837000 
1 1 1  -13   13   31 o   6.7390   1.4490   8.2420   2.0430   5.2360   2.0550 3.005000 2.898000 
1 1 1  -13   13   32 o   3.3670   1.1030   3.8520   1.6960   2.8820   1.4100 0.9696000 2.205000 
1 1 1  -13   13   33 o   7.2640   1.1900   10.500   1.5010   4.0230   1.8480 6.481000 2.381000 
1 1 1  -13   13   34 o   2.8590   0.9870   2.5580   1.2720   3.1600   1.5100 -0.6016000 1.974000 
1 1 1  -13   13   35 o   2.8260   0.9903   2.8210   1.3970   2.8310   1.4040 -0.9706000E-02 1.981000 
1 1 1  -13   15    1 o   75.350   0.4909   75.520   0.6958   75.190   0.6927 0.3235000 0.9819000 
1 1 1  -13   15    2 o   49.180   0.3514   49.320   0.4976   49.040   0.4963 0.2857000 0.7028000 
1 1 1  -13   15    3 o   61.380   0.4123   61.760   0.5863   61.000   0.5800 0.7628000 0.8247000 
1 1 1  -13   15    4 o   60.410   0.4087   59.710   0.5724   61.120   0.5835 -1.411000 0.8174000 
1 1 1  -13   15    5 o   76.680   0.5002   76.450   0.7043   76.910   0.7106 -0.4603000 1.000000 
1 1 1  -13   15    6 o   31.810   0.3731   32.170   0.5127   31.450   0.5420 0.7176000 0.7461000 
1 1 1  -13   15    7 o   44.690   0.3981   44.190   0.5516   45.190   0.5741 -1.004000 0.7962000 
1 1 1  -13   15    8 o   57.340   0.4626   57.020   0.6460   57.670   0.6622 -0.6483000 0.9251000 
1 1 1  -13   15    9 o   48.960   0.4285   49.170   0.5991   48.750   0.6127 0.4180000 0.8569000 
1 1 1  -13   15   10 o   39.320   0.3525   39.290   0.4946   39.340   0.5023 -0.5366000E-01 0.7049000 
1 1 1  -13   15   11 o   19.080   0.4831   20.190   0.6432   17.960   0.7211 2.234000 0.9663000 
1 1 1  -13   15   12 o   27.680   0.3820   28.070   0.5319   27.290   0.5483 0.7813000 0.7639000 
1 1 1  -13   15   13 o   79.200   0.5235   78.870   0.7365   79.520   0.7441 -0.6552000 1.047000 
1 1 1  -13   15   14 o   27.040   0.4197   26.570   0.5877   27.510   0.5993 -0.9455000 0.8394000 
1 1 1  -13   15   15 o   28.480   0.4051   28.670   0.5636   28.290   0.5820 0.3787000 0.8102000 
1 1 1  -13   15   16 o   19.490   0.4507   19.460   0.6207   19.520   0.6538 -0.6154000E-01 0.9015000 
1 1 1  -13   15   17 o   32.700   0.4048   32.240   0.5473   33.160   0.5967 -0.9229000 0.8097000 
1 1 1  -13   15   18 o   14.370   0.6198   14.370   0.8840   14.370   0.8688 0.5857000E-02 1.240000 
1 1 1  -13   15   19 o   23.210   0.3822   23.130   0.5123   23.280   0.5673 -0.1437000 0.7643000 
1 1 1  -13   15   20 o   29.920   0.3464   29.640   0.4754   30.200   0.5041 -0.5642000 0.6929000 
1 1 1  -13   15   21 o   12.730   0.6859   12.390   0.9404   13.080   0.9988 -0.6967000 1.372000 
1 1 1  -13   15   22 o   14.360   0.5320   14.680   0.7024   14.040   0.7993 0.6346000 1.064000 
1 1 1  -13   15   23 o   7.4820   1.1710   8.0240   1.6580   6.9400   1.6540 1.084000 2.342000 
1 1 1  -13   15   24 o   16.000   0.5665   15.380   0.8866   16.610   0.7053 -1.227000 1.133000 
1 1 1  -13   15   25 o   27.030   0.4151   26.860   0.6493   27.200   0.5175 -0.3431000 0.8303000 
1 1 1  -13   15   26 o   5.5290   1.3370   6.2000   1.9930   4.8590   1.7820 1.341000 2.673000 
1 1 1  -13   15   27 o   6.1600   1.4850   5.5790   2.2550   6.7410   1.9320 -1.162000 2.969000 
1 1 1  -13   15   28 o   17.010   0.5455   16.520   0.7522   17.490   0.7902 -0.9668000 1.091000 
1 1 1  -13   15   29 o   12.540   0.7360   12.840   0.9700   12.240   1.1070 0.6021000 1.472000 
1 1 1  -13   15   30 o   9.9370   1.0870   9.9750   1.4360   9.9000   1.6330 0.7457000E-01 2.174000 
1 1 1  -13   15   31 o   4.7570   1.2420   5.8540   1.8440   3.6600   1.6660 2.194000 2.485000 
1 1 1  -13   15   32 o   6.9850   1.4540   6.1250   2.0480   7.8460   2.0650 -1.720000 2.908000 
1 1 1  -13   15   33 o   3.4000   1.1090   3.8660   1.7030   2.9330   1.4220 0.9332000 2.219000 
1 1 1  -13   15   34 o   3.0240   1.0470   2.6220   1.3150   3.4260   1.6290 -0.8039000 2.093000 
1 1 1  -13   17    1 o   52.060   0.4356   51.970   0.6157   52.150   0.6163 -0.1777000 0.8712000 
1 1 1  -13   17    2 o   50.720   0.4289   50.890   0.6092   50.550   0.6040 0.3442000 0.8579000 
1 1 1  -13   17    3 o   31.960   0.3481   31.560   0.4909   32.350   0.4936 -0.7993000 0.6962000 
1 1 1  -13   17    4 o   72.920   0.4841   72.810   0.6836   73.030   0.6856 -0.2192000 0.9681000 
1 1 1  -13   17    5 o   44.800   0.3581   44.650   0.5011   44.950   0.5119 -0.2933000 0.7163000 
1 1 1  -13   17    6 o   46.500   0.3666   46.520   0.5124   46.480   0.5244 0.4280000E-01 0.7332000 
1 1 1  -13   17    7 o   8.5740   1.1650   9.4370   1.3330   7.7110   1.9110 1.726000 2.330000 
1 1 1  -13   17    8 o   48.790   0.3734   48.640   0.5216   48.950   0.5346 -0.3052000 0.7468000 
1 1 1  -13   17    9 o   7.0370   1.2430   6.8170   1.7050   7.2560   1.8100 -0.4388000 2.487000 
1 1 1  -13   17   10 o   23.380   0.4135   23.940   0.5567   22.820   0.6116 1.114000 0.8270000 
1 1 1  -13   17   11 o   41.810   0.4043   41.540   0.5670   42.080   0.5765 -0.5354000 0.8085000 
1 1 1  -13   17   12 o   14.240   0.6911   14.240   0.9566   14.240   0.9977 -0.1410000E-02 1.382000 
1 1 1  -13   17   13 o   25.820   0.4307   26.310   0.5912   25.320   0.6264 0.9930000 0.8613000 
1 1 1  -13   17   14 o   51.300   0.4465   51.390   0.6240   51.200   0.6389 0.1953000 0.8931000 
1 1 1  -13   17   15 o   26.560   0.4425   26.650   0.6009   26.460   0.6498 0.1988000 0.8850000 
1 1 1  -13   17   16 o   9.8040   0.8614   9.0630   1.2910   10.550   1.1410 -1.482000 1.723000 
1 1 1  -13   17   17 o   6.8610   1.0910   4.3950   1.7790   9.3280   1.2650 -4.932000 2.183000 
1 1 1  -13   17   18 o   8.3580   1.0590   8.8150   1.5260   7.9000   1.4690 0.9153000 2.118000 
1 1 1  -13   17   19 o   9.6380   0.9466   9.7640   1.3620   9.5120   1.3150 0.2523000 1.893000 
1 1 1  -13   17   20 o   17.660   0.5329   17.020   0.8055   18.290   0.6981 -1.272000 1.066000 
1 1 1  -13   17   21 o   6.2830   1.2310   5.6940   1.8880   6.8730   1.5810 -1.179000 2.462000 
1 1 1  -13   17   22 o   9.3890   0.8309   9.9650   1.0760   8.8130   1.2660 1.152000 1.662000 
1 1 1  -13   17   23 o   14.450   0.5395   13.820   0.7757   15.070   0.7500 -1.250000 1.079000 
1 1 1  -13   17   24 f   17.130   0.4916   17.610   0.6478   16.660   0.7396 0.9527000 0.9832000 
1 1 1  -13   17   25 f   14.670   0.7031   13.720   1.0190   15.630   0.9692 -1.914000 1.406000 
1 1 1  -13   17   26 o   10.640   0.9887   10.800   1.3520   10.480   1.4430 0.3193000 1.977000 
1 1 1  -13   17   27 o   16.780   0.5448   15.610   0.7675   17.950   0.7733 -2.335000 1.090000 
1 1 1  -13   17   28 o   7.3060   1.2660   6.9680   1.7410   7.6430   1.8380 -0.6747000 2.532000 
1 1 1  -13   17   29 o   10.200   1.0710   9.4730   1.5000   10.930   1.5300 -1.460000 2.143000 
1 1 1  -13   17   30 o   13.290   0.7465   13.050   0.9895   13.530   1.1180 -0.4764000 1.493000 
1 1 1  -13   17   31 o   3.9650   1.2710   3.8950   1.7510   4.0360   1.8420 -0.1413000 2.542000 
1 1 1  -13   17   32 o   2.8230   0.9758   2.4110   1.2090   3.2350   1.5320 -0.8232000 1.952000 
1 1 1  -13   17   33 o   2.9410   1.0220   2.8740   1.4180   3.0070   1.4730 -0.1323000 2.044000 
1 1 1  -13   19    1 o   23.430   0.4111   23.690   0.5688   23.180   0.5938 0.5128000 0.8223000 
1 1 1  -13   19    2 o   30.340   0.3619   30.430   0.5052   30.250   0.5184 0.1836000 0.7238000 
1 1 1  -13   19    3 o   12.440   0.7122   13.720   0.8873   11.170   1.1140 2.548000 1.424000 
1 1 1  -13   19    4 o   22.770   0.4178   23.030   0.5811   22.500   0.6006 0.5260000 0.8357000 
1 1 1  -13   19    5 o   47.190   0.4039   47.050   0.5153   47.330   0.6220 -0.2788000 0.8078000 
1 1 1  -13   19    6 o   13.980   0.7537   13.790   1.0600   14.160   1.0720 -0.3711000 1.507000 
1 1 1  -13   19    7 o   18.480   0.5796   18.760   0.7985   18.200   0.8403 0.5562000 1.159000 
1 1 1  -13   19    8 o   15.350   0.6754   16.010   0.8942   14.700   1.0130 1.310000 1.351000 
1 1 1  -13   19    9 o   22.290   0.4961   22.050   0.6903   22.540   0.7127 -0.4911000 0.9922000 
1 1 1  -13   19   10 o   37.420   0.4584   37.710   0.6870   37.140   0.6072 0.5719000 0.9169000 
1 1 1  -13   19   11 f   5.8250   1.5660   5.9390   2.3750   5.7100   2.0420 0.2295000 3.132000 
1 1 1  -13   19   12 f   25.700   0.5830   24.890   0.9648   26.510   0.6549 -1.623000 1.166000 
1 1 1  -13   19   13 o   12.720   0.7859   12.820   1.2220   12.620   0.9890 0.2001000 1.572000 
1 1 1  -13   19   14 o   17.040   0.5842   16.840   0.9132   17.250   0.7289 -0.4030000 1.168000 
1 1 1  -13   19   15 o   29.820   0.4124   28.910   0.6565   30.740   0.4993 -1.837000 0.8248000 
1 1 1  -13   19   16 o   26.110   0.4359   25.790   0.6920   26.440   0.5304 -0.6498000 0.8719000 
1 1 1  -13   19   17 o   4.1810   1.2390   3.7630   1.6610   4.5980   1.8390 -0.8354000 2.478000 
1 1 1  -13   19   18 o   10.090   0.8890   10.220   1.1980   9.9590   1.3130 0.2644000 1.778000 
1 1 1  -13   19   19 o   15.010   0.5295   15.050   0.7300   14.970   0.7673 0.8258000E-01 1.059000 
1 1 1  -13   19   20 o   11.430   0.6966   11.510   0.9570   11.340   1.0130 0.1746000 1.393000 
1 1 1  -13   19   21 o   15.420   0.5253   14.470   0.7717   16.370   0.7130 -1.897000 1.051000 
1 1 1  -13   19   22 o   17.320   0.4910   17.430   0.6538   17.200   0.7326 0.2306000 0.9819000 
1 1 1  -13   19   23 o   4.6700   1.2340   3.7940   1.6350   5.5460   1.8500 -1.751000 2.469000 
1 1 1  -13   19   24 o   10.320   1.0840   9.0890   1.6850   11.560   1.3630 -2.470000 2.168000 
1 1 1  -13   19   25 o   7.8910   1.1160   10.450   1.1280   5.3280   1.9270 5.126000 2.233000 
1 1 1  -13   19   26 o   4.0960   1.1900   4.9470   1.8090   3.2440   1.5470 1.703000 2.380000 
1 1 1  -13   19   27 o   6.9140   1.3290   6.0130   1.8800   7.8140   1.8800 -1.802000 2.659000 
1 1 1  -13   19   28 o   3.7060   1.2030   3.3850   1.5950   4.0270   1.8020 -0.6425000 2.406000 
1 1 1  -13   19   29 o   4.0960   1.2420   5.1330   1.9750   3.0600   1.5060 2.073000 2.484000 
1 1 1  -13   19   30 o   4.4620   1.2960   4.7420   1.8580   4.1820   1.8070 0.5595000 2.592000 
1 1 1  -13   19   31 f   3.5420   1.1430   3.4460   1.5770   3.6390   1.6560 -0.1930000 2.286000 
1 1 1  -13   19   32 o   2.4870   0.8907   2.5910   1.2960   2.3820   1.2220 0.2094000 1.781000 
1 1 1  -13   21    1 o   44.980   0.4150   45.210   0.5808   44.740   0.5929 0.4779000 0.8300000 
1 1 1  -13   21    2 o   17.090   0.5784   16.020   0.8351   18.150   0.8006 -2.133000 1.157000 
1 1 1  -13   21    3 o   13.530   0.8220   12.840   1.3190   14.210   0.9818 -1.368000 1.644000 
1 1 1  -13   21    4 o   15.950   0.8868   14.440   1.5700   17.470   0.8245 -3.034000 1.774000 
1 1 1  -13   21    5 o   29.130   0.5839   29.720   0.9745   28.540   0.6434 1.179000 1.168000 
1 1 1  -13   21    6 o   57.270   0.6680   57.010   1.1480   57.530   0.6838 -0.5214000 1.336000 
1 1 1  -13   21    7 o   30.180   0.5649   29.990   0.9425   30.360   0.6229 -0.3687000 1.130000 
1 1 1  -13   21    8 o   32.750   0.4313   32.890   0.6919   32.620   0.5152 0.2684000 0.8626000 
1 1 1  -13   21    9 o   26.080   0.4541   26.270   0.7197   25.890   0.5540 0.3815000 0.9083000 
1 1 1  -13   21   10 o   23.340   0.3979   23.730   0.5328   22.950   0.5912 0.7802000 0.7958000 
1 1 1  -13   21   11 o   12.320   0.6385   12.260   0.8588   12.380   0.9451 -0.1174000 1.277000 
1 1 1  -13   21   12 f   8.5870   0.9495   9.1250   1.1690   8.0490   1.4970 1.076000 1.899000 
1 1 1  -13   21   13 o   8.8380   0.8995   8.6690   1.2080   9.0080   1.3340 -0.3390000 1.799000 
1 1 1  -13   21   14 o   15.790   0.5923   15.710   0.8312   15.860   0.8441 -0.1496000 1.185000 
1 1 1  -13   21   15 o   18.390   0.5291   18.380   0.7446   18.390   0.7518 -0.4368000E-02 1.058000 
1 1 1  -13   21   16 o   7.5990   1.0690   9.1540   1.1960   6.0450   1.7710 3.110000 2.137000 
1 1 1  -13   21   17 o   4.5320   1.1770   3.4750   1.5330   5.5890   1.7850 -2.114000 2.353000 
1 1 1  -13   21   18 o   12.160   0.6604   11.950   0.9126   12.360   0.9548 -0.4162000 1.321000 
1 1 1  -13   21   19 o   16.950   0.5099   16.570   0.7127   17.320   0.7295 -0.7502000 1.020000 
1 1 1  -13   21   20 o   3.7580   1.1530   3.2760   1.4980   4.2390   1.7520 -0.9628000 2.306000 
1 1 1  -13   21   21 o   8.2550   1.2990   9.2460   1.6940   7.2640   1.9690 1.982000 2.597000 
1 1 1  -13   21   22 o   6.0510   1.2670   8.3530   1.8560   3.7500   1.7240 4.604000 2.533000 
1 1 1  -13   21   23 o   9.6950   0.9146   9.8130   1.2300   9.5770   1.3540 0.2358000 1.829000 
1 1 1  -13   21   24 o   5.4170   1.2780   6.5090   1.8060   4.3260   1.8100 2.183000 2.556000 
1 1 1  -13   21   25 o   7.0760   1.2910   7.1060   1.7330   7.0460   1.9140 0.5929000E-01 2.582000 
1 1 1  -13   21   26 o   3.9850   1.2550   3.6940   1.6890   4.2750   1.8560 -0.5804000 2.510000 
1 1 1  -13   21   27 o   6.9130   1.4550   6.8450   1.9950   6.9810   2.1190 -0.1360000 2.910000 
1 1 1  -13   21   28 o   3.0180   1.0460   2.7320   1.3590   3.3040   1.5900 -0.5720000 2.092000 
1 1 1  -13   21   29 o   3.5020   1.1390   3.5010   1.6030   3.5030   1.6170 -0.2237000E-02 2.277000 
1 1 1  -13   21   30 o   3.1710   1.0450   2.3310   1.1690   4.0120   1.7330 -1.681000 2.091000 
1 1 1  -13   23    1 o   33.320   0.4162   33.970   0.6826   32.670   0.4765 1.293000 0.8324000 
1 1 1  -13   23    2 o   36.430   0.3595   36.180   0.5419   36.670   0.4725 -0.4851000 0.7189000 
1 1 1  -13   23    3 o   32.350   0.3355   32.410   0.4766   32.280   0.4725 0.1298000 0.6711000 
1 1 1  -13   23    4 o   10.830   0.7115   10.940   0.9945   10.710   1.0180 0.2365000 1.423000 
1 1 1  -13   23    5 o   9.6770   0.8452   9.2480   1.2020   10.110   1.1890 -0.8583000 1.690000 
1 1 1  -13   23    6 o   20.550   0.4267   20.280   0.5867   20.810   0.6198 -0.5316000 0.8534000 
1 1 1  -13   23    7 o   6.8510   1.1730   6.8380   1.5940   6.8640   1.7230 -0.2556000E-01 2.347000 
1 1 1  -13   23    8 o   10.740   0.7607   11.260   0.9586   10.220   1.1810 1.048000 1.521000 
1 1 1  -13   23    9 o   10.790   0.8902   12.570   0.9811   9.0130   1.4860 3.558000 1.780000 
1 1 1  -13   23   10 o   6.6470   1.0750   9.3120   1.2910   3.9820   1.7180 5.330000 2.149000 
1 1 1  -13   23   11 o   17.630   0.5315   17.310   0.7144   17.940   0.7872 -0.6319000 1.063000 
1 1 1  -13   23   12 o   17.660   0.5260   17.380   0.7104   17.930   0.7760 -0.5537000 1.052000 
1 1 1  -13   23   13 o   14.960   0.5484   14.410   0.7396   15.510   0.8099 -1.101000 1.097000 
1 1 1  -13   23   14 o   6.8530   1.1540   6.1730   1.6390   7.5330   1.6260 -1.361000 2.309000 
1 1 1  -13   23   15 o   7.5500   1.1440   9.1110   1.1730   5.9890   1.9640 3.122000 2.288000 
1 1 1  -13   23   16 o   12.180   0.6799   12.290   0.9075   12.070   1.0130 0.2275000 1.360000 
1 1 1  -13   23   17 o   5.7520   1.2800   6.3270   1.7530   5.1770   1.8660 1.150000 2.560000 
1 1 1  -13   23   18 o   4.5980   1.2650   4.0570   1.6970   5.1390   1.8770 -1.082000 2.530000 
1 1 1  -13   23   19 o   3.8800   1.2450   3.2670   1.5730   4.4930   1.9310 -1.227000 2.491000 
1 1 1  -13   23   20 o   8.1470   1.3720   8.3380   1.9230   7.9550   1.9570 0.3833000 2.744000 
1 1 1  -13   23   21 o   19.460   0.4985   18.650   0.7172   20.270   0.6925 -1.615000 0.9969000 
1 1 1  -13   23   22 o   10.100   0.9364   9.9900   1.2600   10.210   1.3860 -0.2168000 1.873000 
1 1 1  -13   23   23 o   3.3000   1.0950   2.9190   1.4100   3.6810   1.6760 -0.7626000 2.190000 
1 1 1  -13   23   24 o   5.6060   1.4320   5.1200   1.9400   6.0910   2.1080 -0.9708000 2.864000 
1 1 1  -13   23   25 o   8.2490   1.4500   9.2390   1.9390   7.2600   2.1570 1.979000 2.901000 
1 1 1  -13   23   26 o   4.5570   1.3660   4.5410   1.9090   4.5730   1.9540 -0.3179000E-01 2.732000 
1 1 1  -13   23   27 o   3.1640   1.0580   3.3170   1.5410   3.0110   1.4510 0.3057000 2.116000 
1 1 1  -13   23   28 o   3.9770   1.2160   3.6330   1.6390   4.3210   1.7980 -0.6878000 2.433000 
1 1 1  -13   25    1 o   26.630   0.4134   26.860   0.5723   26.390   0.5966 0.4718000 0.8267000 
1 1 1  -13   25    2 o   20.330   0.4785   19.690   0.6788   20.980   0.6746 -1.293000 0.9570000 
1 1 1  -13   25    3 o   17.790   0.5412   18.620   0.7138   16.960   0.8137 1.665000 1.082000 
1 1 1  -13   25    4 o   11.070   0.8496   12.220   1.0260   9.9240   1.3550 2.299000 1.699000 
1 1 1  -13   25    5 o   7.4270   1.2100   8.5800   1.5000   6.2750   1.8980 2.305000 2.419000 
1 1 1  -13   25    6 o   17.140   0.4948   17.480   0.6591   16.800   0.7383 0.6893000 0.9897000 
1 1 1  -13   25    7 o   11.470   0.7191   11.860   0.9211   11.080   1.1050 0.7785000 1.438000 
1 1 1  -13   25    8 o   6.6960   1.1890   6.4330   1.6500   6.9590   1.7120 -0.5258000 2.378000 
1 1 1  -13   25    9 o   18.120   0.5232   17.310   0.6596   18.930   0.8123 -1.616000 1.046000 
1 1 1  -13   25   10 o   37.060   0.3491   37.530   0.4813   36.590   0.5058 0.9415000 0.6982000 
1 1 1  -13   25   11 o   17.560   0.4916   17.820   0.6523   17.300   0.7358 0.5265000 0.9833000 
1 1 1  -13   25   12 o   12.170   0.6891   11.490   0.9674   12.850   0.9815 -1.361000 1.378000 
1 1 1  -13   25   13 o   13.640   0.6253   13.450   0.8453   13.840   0.9215 -0.3928000 1.251000 
1 1 1  -13   25   14 o   19.160   0.4794   18.720   0.6442   19.600   0.7102 -0.8871000 0.9589000 
1 1 1  -13   25   15 o   25.310   0.4787   25.390   0.6509   25.240   0.7022 0.1491000 0.9575000 
1 1 1  -13   25   16 o   18.050   0.6311   18.790   0.8230   17.320   0.9570 1.468000 1.262000 
1 1 1  -13   25   17 o   5.5220   1.3380   5.1150   1.8370   5.9290   1.9450 -0.8143000 2.675000 
1 1 1  -13   25   18 o   5.4370   1.2940   4.5740   1.8000   6.3000   1.8590 -1.726000 2.588000 
1 1 1  -13   25   19 f   8.9390   1.0930   10.340   1.2310   7.5420   1.8060 2.795000 2.186000 
1 1 1  -13   25   20 o   4.8380   1.2980   5.5580   1.8830   4.1170   1.7870 1.442000 2.596000 
1 1 1  -13   25   21 o   6.7030   1.3170   7.6630   1.7290   5.7430   1.9880 1.921000 2.635000 
1 1 1  -13   25   22 o   9.0980   1.2370   11.230   1.3560   6.9630   2.0690 4.271000 2.474000 
1 1 1  -13   25   23 o   5.4990   1.4850   6.1870   2.1880   4.8100   2.0080 1.377000 2.970000 
1 1 1  -13   25   24 o   3.6960   1.1800   3.2380   1.5330   4.1540   1.7960 -0.9155000 2.361000 
1 1 1  -13   25   25 o   2.5740   0.9061   2.3380   1.1770   2.8100   1.3780 -0.4717000 1.812000 
1 1 1  -13   25   26 o   2.4610   0.8707   2.4100   1.2070   2.5130   1.2550 -0.1023000 1.741000 
1 1 1  -13   27    1 o   4.4380   1.2090   5.1410   1.7880   3.7350   1.6280 1.406000 2.418000 
1 1 1  -13   27    2 o   21.910   0.4179   22.400   0.5809   21.420   0.6009 0.9779000 0.8358000 
1 1 1  -13   27    3 o   10.600   0.7826   11.180   1.0330   10.020   1.1760 1.165000 1.565000 
1 1 1  -13   27    4 o   17.050   0.5001   16.320   0.7313   17.780   0.6823 -1.458000 1.000000 
1 1 1  -13   27    5 o   3.1850   1.0420   2.5310   1.2480   3.8390   1.6700 -1.307000 2.084000 
1 1 1  -13   27    6 o   6.1120   1.2690   6.2480   1.7300   5.9750   1.8570 0.2736000 2.539000 
1 1 1  -13   27    7 o   13.070   0.6656   12.200   0.9482   13.940   0.9344 -1.736000 1.331000 
1 1 1  -13   27    8 o   7.2210   1.1840   7.0810   1.6270   7.3620   1.7200 -0.2803000 2.368000 
1 1 1  -13   27    9 o   8.4030   1.0560   9.1110   1.2940   7.6960   1.6700 1.415000 2.113000 
1 1 1  -13   27   10 o   13.830   0.7531   12.830   1.0980   14.830   1.0310 -2.004000 1.506000 
1 1 1  -13   27   11 o   10.910   0.9972   9.2560   1.5760   12.560   1.2220 -3.303000 1.994000 
1 1 1  -13   27   12 o   4.2500   1.3020   4.3770   1.8600   4.1230   1.8220 0.2538000 2.604000 
1 1 1  -13   27   13 o   4.5430   1.2600   4.8560   1.7950   4.2300   1.7680 0.6261000 2.520000 
1 1 1  -13   27   14 o   4.0200   1.2030   3.5130   1.5780   4.5260   1.8170 -1.013000 2.406000 
1 1 1  -13   27   15 o   3.0850   1.0360   3.0310   1.4420   3.1400   1.4870 -0.1092000 2.072000 
1 1 1  -13   27   16 o   6.5040   1.2790   7.2440   1.6900   5.7640   1.9200 1.480000 2.558000 
1 1 1  -13   27   17 o   6.1010   1.3210   5.1140   1.8440   7.0890   1.8910 -1.974000 2.641000 
1 1 1  -13   27   18 o   7.4270   1.2530   5.9490   1.9100   8.9050   1.6210 -2.956000 2.505000 
1 1 1  -13   27   19 o   3.9100   1.2540   3.7800   1.7220   4.0400   1.8230 -0.2593000 2.508000 
1 1 1  -13   27   20 o   5.6980   1.5160   6.5370   2.1850   4.8590   2.1030 1.678000 3.032000 
1 1 1  -13   27   21 o   3.0080   1.0440   2.8870   1.4230   3.1300   1.5280 -0.2430000 2.088000 
1 1 1  -13   27   22 o   5.1090   1.3430   4.9190   1.8680   5.3000   1.9300 -0.3812000 2.686000 
1 1 1  -13   27   23 o   4.8490   1.3010   5.5500   1.9060   4.1470   1.7700 1.403000 2.601000 
1 1 1  -13   27   24 o   3.2870   1.0780   3.7830   1.6700   2.7910   1.3650 0.9921000 2.157000 
1 1 1  -13   29    1 o   7.7780   1.2490   6.4730   1.9500   9.0840   1.5610 -2.611000 2.498000 
1 1 1  -13   29    2 o   11.700   0.8547   11.360   1.2460   12.050   1.1700 -0.6876000 1.709000 
1 1 1  -13   29    3 o   5.9730   1.3880   5.3640   1.9600   6.5810   1.9640 -1.217000 2.775000 
1 1 1  -13   29    4 o   13.570   0.8418   12.130   1.1700   15.010   1.2100 -2.876000 1.684000 
1 1 1  -13   29    5 o   11.550   0.9180   10.710   1.3550   12.390   1.2380 -1.672000 1.836000 
1 1 1  -13   29    6 o   15.850   0.5800   16.960   0.7353   14.750   0.8971 2.205000 1.160000 
1 1 1  -13   29    7 o   8.9520   1.0300   9.2110   1.3470   8.6920   1.5580 0.5190000 2.059000 
1 1 1  -13   29    8 o   4.1860   1.2430   3.8950   1.6820   4.4770   1.8310 -0.5823000 2.486000 
1 1 1  -13   29    9 o   6.7490   1.1450   8.9540   1.3860   4.5430   1.8230 4.411000 2.290000 
1 1 1  -13   29   10 o   2.5970   0.9112   2.1640   1.0980   3.0310   1.4550 -0.8669000 1.822000 
1 1 1  -13   29   11 o   5.6430   1.3250   6.0460   1.8490   5.2390   1.8990 0.8060000 2.651000 
1 1 1  -13   29   12 o   3.3640   1.0980   3.7410   1.6590   2.9860   1.4380 0.7551000 2.195000 
1 1 1  -13   29   13 o   5.9540   1.2690   4.5400   1.8180   7.3680   1.7700 -2.827000 2.538000 
1 1 1  -13   29   14 o   3.3640   1.0880   4.0870   1.7370   2.6400   1.3100 1.446000 2.175000 
1 1 1  -13   29   15 o   7.3010   1.4170   7.9800   1.8530   6.6220   2.1440 1.358000 2.834000 
1 1 1  -13   29   16 o   4.4450   1.3990   4.5990   1.9900   4.2900   1.9650 0.3087000 2.797000 
1 1 1  -13   29   17 o   5.8150   1.4640   4.0690   1.8500   7.5610   2.2690 -3.492000 2.928000 
1 1 1  -13   29   18 o   4.1160   1.2410   4.5430   1.8270   3.6890   1.6810 0.8547000 2.483000 
1 1 1  -13   29   19 o   6.7740   1.2900   7.2790   1.7390   6.2700   1.9060 1.009000 2.580000 
1 1 1  -13   29   20 o   3.3440   1.0970   3.6150   1.6270   3.0730   1.4720 0.5419000 2.193000 
1 1 1  -13   29   21 o   2.6650   0.9259   2.7590   1.3410   2.5710   1.2770 0.1873000 1.852000 
1 1 1  -13   31    1 o   5.9580   1.3400   5.8040   1.8880   6.1120   1.9010 -0.3081000 2.679000 
1 1 1  -13   31    2 o   4.3420   1.2610   3.1540   1.4980   5.5300   2.0280 -2.376000 2.521000 
1 1 1  -13   31    3 o   3.3990   1.1070   3.7990   1.6770   2.9990   1.4450 0.8003000 2.214000 
1 1 1  -13   31    4 o   4.8240   1.2960   5.5950   1.8650   4.0530   1.8000 1.543000 2.592000 
1 1 1  -13   31    5 o   6.2520   1.1570   8.4520   1.5130   4.0520   1.7520 4.400000 2.315000 
1 1 1  -13   31    6 o   15.220   0.6722   16.090   0.9394   14.350   0.9616 1.738000 1.344000 
1 1 1  -13   31    7 o   4.8610   1.3230   4.8010   1.8260   4.9210   1.9150 -0.1201000 2.646000 
1 1 1  -13   31    8 o   6.1940   1.4160   7.4510   1.9650   4.9370   2.0390 2.514000 2.832000 
1 1 1  -13   31    9 o   3.7210   1.1970   4.2280   1.8180   3.2140   1.5580 1.014000 2.395000 
1 1 1  -13   31   10 o   3.7210   1.2240   3.9560   1.7700   3.4850   1.6900 0.4703000 2.447000 
1 1 1  -13   31   11 o   3.9130   1.2800   4.3230   1.9180   3.5020   1.6950 0.8215000 2.559000 
1 1 1  -13   31   12 o   3.8300   1.2560   4.2620   1.8870   3.3980   1.6570 0.8639000 2.512000 
1 1 1  -13   31   13 o   2.7360   0.9606   2.6130   1.3010   2.8600   1.4130 -0.2471000 1.921000 
1 1 1  -13   31   14 o   7.1980   1.2440   8.4210   1.5670   5.9750   1.9340 2.445000 2.489000 
1 1 1  -13   31   15 o   3.2460   1.0710   2.7030   1.3270   3.7890   1.6820 -1.086000 2.143000 
1 1 1  -13   31   16 o   6.0570   1.2210   4.2180   1.7600   7.8960   1.6920 -3.678000 2.441000 
1 1 1  -13   31   17 o   3.0670   1.0320   3.5450   1.5940   2.5890   1.3120 0.9564000 2.064000 
1 1 1  -13   33    1 o   3.8490   1.2370   3.8290   1.7320   3.8690   1.7660 -0.4035000E-01 2.473000 
1 1 1  -13   33    2 o   3.7660   1.2120   4.0150   1.7750   3.5180   1.6510 0.4973000 2.424000 
1 1 1  -13   33    3 o   6.6640   1.4210   6.0800   2.0190   7.2470   2.0010 -1.167000 2.843000 
1 1 1  -13   33    4 o   3.5160   1.1580   3.6980   1.6880   3.3350   1.5870 0.3631000 2.317000 
1 1 1  -13   33    5 o   3.8750   1.2050   4.6350   1.8960   3.1140   1.4870 1.522000 2.409000 
1 1 1  -13   33    6 o   3.7740   1.1580   4.5440   1.8090   3.0030   1.4460 1.542000 2.316000 
1 1 1  -13   33    7 o   2.8700   0.9841   2.5550   1.2660   3.1850   1.5070 -0.6305000 1.968000 
1 1 1  -13   33    8 o   3.3790   1.1040   3.4630   1.5790   3.2950   1.5430 0.1682000 2.208000 
1 1 1  -13   33    9 o   4.1560   1.2550   4.3820   1.7810   3.9310   1.7690 0.4504000 2.510000 
1 1 1  -13   33   10 o   3.0790   1.0530   3.1950   1.5000   2.9630   1.4790 0.2322000 2.106000 
1 1 1  -13   33   11 o   2.6630   1.3090   2.6630   1.3090  ?   ?       ?      ? 
1 1 1  -13   33   12 o   3.0130   1.0200   3.4190   1.5550   2.6070   1.3210 0.8121000 2.040000 
1 1 1  -12    0    1 f  100.700   0.8948  100.700   0.8948  100.700   0.8948 -0.000000 0.000000 
1 1 1  -12    0    2 o   69.700   0.6206   69.700   0.6206   69.700   0.6206 -0.000000 0.000000 
1 1 1  -12    0    3 o   84.200   0.7482   84.200   0.7482   84.200   0.7482 -0.000000 0.000000 
1 1 1  -12    0    4 o   29.300   0.2745   29.300   0.2745   29.300   0.2745 -0.000000 0.000000 
1 1 1  -12    0    5 o   73.490   0.9265   73.490   0.9265   73.490   0.9265 0.000000 0.000000 
1 1 1  -12    0    6 o   26.770   0.3744   26.770   0.3744   26.770   0.3744 0.000000 0.000000 
1 1 1  -12    0    7 o   12.370   0.3059   12.370   0.3059   12.370   0.3059 0.000000 0.000000 
1 1 1  -12    0    8 o   33.940   0.3255   33.940   0.3255   33.940   0.3255 0.000000 0.000000 
1 1 1  -12    0    9 o   3.4640   1.1720   3.4640   1.1720   3.4640   1.1720 -0.000000 0.000000 
1 1 1  -12    0   10 o   13.670   0.3238   13.670   0.3238   13.670   0.3238 -0.000000 0.000000 
1 1 1  -12    0   11 o   32.670   0.4694   32.670   0.4694   32.670   0.4694 0.000000 0.000000 
1 1 1  -12    0   12 o   86.670   0.7768   86.670   0.7768   86.670   0.7768 0.000000 0.000000 
1 1 1  -12    0   13 o   25.470   0.3236   25.470   0.3236   25.470   0.3236 -0.000000 0.000000 
1 1 1  -12    0   14 o   7.0760   0.8236   7.0760   0.8236   7.0760   0.8236 0.000000 0.000000 
1 1 1  -12    0   15 o   21.200   0.4205   21.200   0.4205   21.200   0.4205 0.000000 0.000000 
1 1 1  -12    0   16 o   24.520   0.4551   24.520   0.4551   24.520   0.4551 -0.000000 0.000000 
1 1 1  -12    0   17 o   49.380   0.4842   49.380   0.4842   49.380   0.4842 0.000000 0.000000 
1 1 1  -12    0   18 o   30.250   0.4150   30.250   0.4150   30.250   0.4150 0.000000 0.000000 
1 1 1  -12    0   19 o   53.580   0.5317   53.580   0.5317   53.580   0.5317 -0.000000 0.000000 
1 1 1  -12    0   20 o   36.970   0.6249   36.970   0.6249   36.970   0.6249 0.000000 0.000000 
1 1 1  -12    0   21 o   50.810   0.5187   50.810   0.5187   50.810   0.5187 -0.000000 0.000000 
1 1 1  -12    0   22 o   4.2680   2.0460   4.2680   2.0460   4.2680   2.0460 -0.000000 0.000000 
1 1 1  -12    0   23 o   37.030   0.4545   37.030   0.4545   37.030   0.4545 0.000000 0.000000 
1 1 1  -12    0   24 o   10.860   0.9108   10.860   0.9108   10.860   0.9108 0.000000 0.000000 
1 1 1  -12    0   25 o   18.920   0.8328   18.920   0.8328   18.920   0.8328 0.000000 0.000000 
1 1 1  -12    0   26 o   8.8190   1.1270   8.8190   1.1270   8.8190   1.1270 0.000000 0.000000 
1 1 1  -12    0   27 o   23.680   0.4860   23.680   0.4860   23.680   0.4860 0.000000 0.000000 
1 1 1  -12    0   28 f   4.8220   1.9690   4.8220   1.9690   4.8220   1.9690 -0.000000 0.000000 
1 1 1  -12    0   29 o   9.8170   1.0120   9.8170   1.0120   9.8170   1.0120 0.000000 0.000000 
1 1 1  -12    0   30 o   6.9070   1.6830   6.9070   1.6830   6.9070   1.6830 -0.000000 0.000000 
1 1 1  -12    0   31 o   18.080   0.6316   18.080   0.6316   18.080   0.6316 -0.000000 0.000000 
1 1 1  -12    0   32 o   6.3260   2.4310   6.3260   2.4310   6.3260   2.4310 -0.000000 0.000000 
1 1 1  -12    0   33 o   10.190   1.8030   10.190   1.8030   10.190   1.8030 0.000000 0.000000 
1 1 1  -12    0   34 o   5.4670   2.3510   5.4670   2.3510   5.4670   2.3510 0.000000 0.000000 
1 1 1  -12    0   35 o   11.490   1.2200   11.490   1.2200   11.490   1.2200 0.000000 0.000000 
1 1 1  -12    0   36 f   2.7140   1.8270   2.7140   1.8270   2.7140   1.8270 -0.000000 0.000000 
1 1 1  -12    0   37 o   2.5460   1.8000   2.5460   1.8000   2.5460   1.8000 -0.000000 0.000000 
1 1 1  -12    0   38 o   1.4760   1.0920   1.4760   1.0920   1.4760   1.0920 0.000000 0.000000 
1 1 1  -12    2    1 o  111.200   0.9897  111.000   1.3970  111.300   1.4020 -0.3600000 1.979000 
1 1 1  -12    2    2 o   88.990   0.7235   88.570   1.1160   89.410   0.9210 -0.8464000 1.447000 
1 1 1  -12    2    3 o   40.620   0.3000   40.240   0.4202   41.010   0.4284 -0.7770000 0.6001000 
1 1 1  -12    2    4 o   83.130   0.6039   83.840   0.8612   82.430   0.8468 1.410000 1.208000 
1 1 1  -12    2    5 o   81.950   0.5959   82.580   0.8492   81.320   0.8362 1.263000 1.192000 
1 1 1  -12    2    6 o   90.250   0.6569   90.100   0.9274   90.400   0.9305 -0.2975000 1.314000 
1 1 1  -12    2    7 o   43.950   0.2861   44.060   0.4055   43.840   0.4036 0.2161000 0.5721000 
1 1 1  -12    2    8 o   11.440   0.2361   11.540   0.3304   11.340   0.3373 0.2073000 0.4721000 
1 1 1  -12    2    9 o   16.960   0.2044   16.600   0.2925   17.310   0.2855 -0.7079000 0.4087000 
1 1 1  -12    2   10 o   32.850   0.2704   32.820   0.3820   32.870   0.3828 -0.4701000E-01 0.5408000 
1 1 1  -12    2   11 o   6.4790   0.7114   7.2510   0.8872   5.7080   1.1120 1.543000 1.423000 
1 1 1  -12    2   12 o   46.570   0.3590   46.300   0.5069   46.850   0.5086 -0.5484000 0.7181000 
1 1 1  -12    2   13 o   8.8310   0.4362   8.9870   0.5901   8.6750   0.6425 0.3120000 0.8724000 
1 1 1  -12    2   14 o   14.140   0.3125   14.030   0.4462   14.260   0.4376 -0.2368000 0.6250000 
1 1 1  -12    2   15 o   34.590   0.2673   34.520   0.3760   34.660   0.3801 -0.1399000 0.5346000 
1 1 1  -12    2   16 o  110.300   0.6995  110.200   0.9882  110.400   0.9903 -0.2188000 1.399000 
1 1 1  -12    2   17 f   31.610   0.2862   31.330   0.4034   31.890   0.4060 -0.5624000 0.5724000 
1 1 1  -12    2   18 o   36.730   0.3021   36.700   0.4250   36.760   0.4295 -0.6288000E-01 0.6042000 
1 1 1  -12    2   19 o   27.420   0.3767   27.710   0.5391   27.140   0.5262 0.5658000 0.7533000 
1 1 1  -12    2   20 o   28.990   0.4487   29.920   0.6208   28.070   0.6482 1.848000 0.8975000 
1 1 1  -12    2   21 o   21.780   0.3797   21.620   0.5354   21.930   0.5386 -0.3066000 0.7595000 
1 1 1  -12    2   22 o   27.590   0.3358   27.330   0.4753   27.850   0.4746 -0.5212000 0.6716000 
1 1 1  -12    2   23 o   31.850   0.3207   31.960   0.4459   31.740   0.4611 0.2133000 0.6414000 
1 1 1  -12    2   24 o   14.720   0.5673   13.640   0.8011   15.800   0.8034 -2.163000 1.135000 
1 1 1  -12    2   25 o   15.870   0.6714   15.790   0.9465   15.940   0.9523 -0.1501000 1.343000 
1 1 1  -12    2   26 o   19.620   0.3806   19.820   0.5276   19.410   0.5488 0.4069000 0.7613000 
1 1 1  -12    2   27 o   7.2440   0.9623   7.4960   1.2730   6.9910   1.4440 0.5055000 1.925000 
1 1 1  -12    2   28 o   13.010   0.5439   12.330   0.7830   13.680   0.7552 -1.348000 1.088000 
1 1 1  -12    2   29 o   29.170   0.3266   29.250   0.4558   29.090   0.4679 0.1591000 0.6532000 
1 1 1  -12    2   30 o   9.9220   0.7447   9.1910   1.1250   10.650   0.9759 -1.462000 1.489000 
1 1 1  -12    2   31 o   8.2870   0.9557   8.9100   1.2300   7.6650   1.4630 1.245000 1.911000 
1 1 1  -12    2   32 o   8.2080   1.2860   9.5470   1.4300   6.8700   2.1380 2.677000 2.572000 
1 1 1  -12    2   33 o   4.7980   1.3490   4.2220   1.7880   5.3740   2.0210 -1.152000 2.698000 
1 1 1  -12    2   34 o   4.5290   1.2850   4.0410   1.7360   5.0180   1.8950 -0.9768000 2.569000 
1 1 1  -12    2   35 o   15.300   0.6507   15.320   0.9034   15.280   0.9368 0.3804000E-01 1.301000 
1 1 1  -12    2   36 f   5.5840   1.4880   5.5730   2.0810   5.5950   2.1280 -0.2204000E-01 2.976000 
1 1 1  -12    2   37 o   3.9010   1.2560   3.1970   1.5570   4.6050   1.9720 -1.408000 2.513000 
1 1 1  -12    2   38 o   2.5030   0.8936   2.5520   1.2850   2.4530   1.2420 0.9937000E-01 1.787000 
1 1 1  -12    4    1 o   26.270   0.1925   26.350   0.2728   26.190   0.2717 0.1606000 0.3850000 
1 1 1  -12    4    2 o   79.320   0.5412   78.970   0.7048   79.680   0.8214 -0.7059000 1.082000 
1 1 1  -12    4    3 o   55.690   0.3843   55.190   0.5771   56.190   0.5076 -0.9940000 0.7686000 
1 1 1  -12    4    4 o   83.910   0.5296   84.510   0.7544   83.310   0.7436 1.192000 1.059000 
1 1 1  -12    4    5 o   57.100   0.4227   57.150   0.5978   57.050   0.5978 0.9356000E-01 0.8454000 
1 1 1  -12    4    6 o   83.840   0.6124   84.160   0.8691   83.520   0.8631 0.6454000 1.225000 
1 1 1  -12    4    7 o   38.400   0.2599   38.680   0.3692   38.120   0.3659 0.5589000 0.5198000 
1 1 1  -12    4    8 o   6.9630   0.4389   7.6320   0.5478   6.2940   0.6860 1.338000 0.8779000 
1 1 1  -12    4    9 o   54.560   0.4084   54.960   0.5813   54.160   0.5739 0.7918000 0.8169000 
1 1 1  -12    4   10 f   21.660   0.2753   21.540   0.3487   21.780   0.4261 -0.2427000 0.5505000 
1 1 1  -12    4   11 o   26.560   0.2629   26.470   0.3761   26.640   0.3673 -0.1671000 0.5257000 
1 1 1  -12    4   12 o   54.320   0.3570   54.560   0.5068   54.080   0.5030 0.4848000 0.7140000 
1 1 1  -12    4   13 o   16.230   0.2779   16.010   0.3903   16.450   0.3957 -0.4452000 0.5558000 
1 1 1  -12    4   14 o   37.330   0.2749   37.120   0.3865   37.530   0.3911 -0.4112000 0.5499000 
1 1 1  -12    4   15 o   40.650   0.2952   40.800   0.4165   40.510   0.4184 0.2950000 0.5904000 
1 1 1  -12    4   16 o   46.490   0.3291   46.600   0.4659   46.380   0.4650 0.2168000 0.6583000 
1 1 1  -12    4   17 o   99.470   0.6339   99.620   0.8975   99.320   0.8955 0.3019000 1.268000 
1 1 1  -12    4   18 o   6.3270   1.0420   7.0290   1.3310   5.6240   1.6040 1.405000 2.084000 
1 1 1  -12    4   19 o   34.370   0.3714   34.570   0.5350   34.180   0.5154 0.3932000 0.7429000 
1 1 1  -12    4   20 o   48.750   0.4107   48.820   0.5744   48.680   0.5871 0.1447000 0.8214000 
1 1 1  -12    4   21 o   44.870   0.3470   44.930   0.4926   44.820   0.4888 0.1081000 0.6939000 
1 1 1  -12    4   22 o   22.720   0.3661   22.250   0.5099   23.200   0.5255 -0.9499000 0.7322000 
1 1 1  -12    4   23 o   19.810   0.3932   19.510   0.5375   20.120   0.5741 -0.6035000 0.7865000 
1 1 1  -12    4   24 o   25.090   0.3920   24.890   0.5184   25.300   0.5881 -0.4099000 0.7839000 
1 1 1  -12    4   25 o   14.720   0.5656   14.520   0.8095   14.920   0.7901 -0.3974000 1.131000 
1 1 1  -12    4   26 o   37.070   0.3171   37.100   0.4476   37.040   0.4494 0.6224000E-01 0.6343000 
1 1 1  -12    4   27 o   28.190   0.3251   27.900   0.4504   28.490   0.4690 -0.5941000 0.6503000 
1 1 1  -12    4   28 o   11.930   0.5736   12.040   0.7842   11.820   0.8372 0.2225000 1.147000 
1 1 1  -12    4   29 o   18.390   0.4069   17.990   0.5679   18.800   0.5829 -0.8121000 0.8138000 
1 1 1  -12    4   30 o   6.0940   1.0040   3.8220   1.5600   8.3670   1.2640 -4.545000 2.008000 
1 1 1  -12    4   31 o   12.250   0.6339   11.880   0.8975   12.620   0.8956 -0.7446000 1.268000 
1 1 1  -12    4   32 o   14.720   0.9790   12.090   1.7040   17.340   0.9646 -5.252000 1.958000 
1 1 1  -12    4   33 o   6.7010   1.3560   5.7870   1.9060   7.6150   1.9290 -1.827000 2.712000 
1 1 1  -12    4   34 o   7.6210   1.1820   9.0320   1.4140   6.2100   1.8930 2.822000 2.363000 
1 1 1  -12    4   35 o   10.500   0.9188   10.100   1.3170   10.890   1.2820 -0.7885000 1.838000 
1 1 1  -12    4   36 o   4.6530   1.4030   4.1070   1.8390   5.1980   2.1190 -1.090000 2.806000 
1 1 1  -12    4   37 f   2.7100   0.9579   2.6630   1.3330   2.7580   1.3760 -0.9556000E-01 1.916000 
1 1 1  -12    6    1 o   61.760   0.4570   61.660   0.6451   61.870   0.6474 -0.2044000 0.9139000 
1 1 1  -12    6    2 o   81.660   0.5975   81.810   0.8464   81.510   0.8436 0.2993000 1.195000 
1 1 1  -12    6    3 o   29.050   0.2599   29.360   0.3697   28.740   0.3653 0.6295000 0.5197000 
1 1 1  -12    6    4 o   31.130   0.2695   31.190   0.3814   31.070   0.3809 0.1137000 0.5391000 
1 1 1  -12    6    5 o   38.100   0.2643   37.960   0.3723   38.240   0.3751 -0.2806000 0.5285000 
1 1 1  -12    6    6 o   77.570   0.4936   77.860   0.7004   77.290   0.6956 0.5702000 0.9872000 
1 1 1  -12    6    7 o   29.830   0.2666   29.790   0.3760   29.870   0.3780 -0.7715000E-01 0.5331000 
1 1 1  -12    6    8 o   20.800   0.2605   21.070   0.3647   20.540   0.3720 0.5309000 0.5210000 
1 1 1  -12    6    9 o   31.210   0.2407   31.360   0.3396   31.070   0.3412 0.2821000 0.4814000 
1 1 1  -12    6   10 o   29.560   0.2779   29.570   0.3929   29.540   0.3932 0.3361000E-01 0.5559000 
1 1 1  -12    6   11 o   43.250   0.3460   42.970   0.4876   43.530   0.4909 -0.5663000 0.6919000 
1 1 1  -12    6   12 o   29.870   0.2504   29.870   0.3520   29.870   0.3563 0.8621000E-03 0.5009000 
1 1 1  -12    6   13 o   3.9810   0.8898   4.9360   1.2420   3.0270   1.2740 1.909000 1.780000 
1 1 1  -12    6   14 o   31.210   0.2690   31.320   0.3792   31.100   0.3816 0.2188000 0.5379000 
1 1 1  -12    6   15 o  134.400   0.8501  133.900   1.1980  134.800   1.2060 -0.8874000 1.700000 
1 1 1  -12    6   16 o   16.740   0.4087   16.060   0.5372   17.410   0.6160 -1.356000 0.8174000 
1 1 1  -12    6   17 o   26.590   0.3412   27.760   0.5087   25.420   0.4549 2.341000 0.6824000 
1 1 1  -12    6   18 o   24.170   0.4075   24.040   0.5722   24.310   0.5803 -0.2708000 0.8150000 
1 1 1  -12    6   19 o   34.910   0.3728   35.080   0.5087   34.750   0.5451 0.3320000 0.7456000 
1 1 1  -12    6   20 o   38.280   0.3759   38.370   0.5172   38.200   0.5456 0.1708000 0.7518000 
1 1 1  -12    6   21 o   46.720   0.3544   46.490   0.4966   46.950   0.5058 -0.4530000 0.7089000 
1 1 1  -12    6   22 o   25.320   0.3502   25.400   0.4781   25.240   0.5120 0.1567000 0.7005000 
1 1 1  -12    6   23 o   12.620   0.6907   13.170   0.8417   12.070   1.0950 1.103000 1.381000 
1 1 1  -12    6   24 o   6.2040   1.2500   5.5980   1.8180   6.8100   1.7170 -1.212000 2.500000 
1 1 1  -12    6   25 o   15.150   0.5530   15.260   0.7908   15.040   0.7734 0.2148000 1.106000 
1 1 1  -12    6   26 o   13.620   0.5077   14.140   0.6808   13.110   0.7535 1.027000 1.015000 
1 1 1  -12    6   27 o   9.4820   0.7125   9.2750   1.0110   9.6880   1.0040 -0.4126000 1.425000 
1 1 1  -12    6   28 o   6.4520   1.0370   7.5870   1.2740   5.3170   1.6360 2.270000 2.074000 
1 1 1  -12    6   29 o   14.370   0.5124   13.670   0.7282   15.080   0.7212 -1.407000 1.025000 
1 1 1  -12    6   30 o   14.150   0.5460   14.780   0.7047   13.520   0.8341 1.265000 1.092000 
1 1 1  -12    6   31 f   6.3790   1.2670   5.2710   1.8890   7.4870   1.6900 -2.216000 2.535000 
1 1 1  -12    6   32 o   9.2850   1.1730   8.8410   1.4990   9.7290   1.8050 -0.8879000 2.347000 
1 1 1  -12    6   33 o   5.7320   1.3540   5.4450   1.9090   6.0180   1.9210 -0.5725000 2.708000 
1 1 1  -12    6   34 o   5.1320   1.3520   5.2010   1.8910   5.0630   1.9330 0.1373000 2.704000 
1 1 1  -12    6   35 f   13.090   0.7791   13.000   1.0790   13.190   1.1240 -0.1896000 1.558000 
1 1 1  -12    6   36 o   3.2380   1.1360   3.1470   1.5680   3.3290   1.6430 -0.1823000 2.271000 
1 1 1  -12    6   37 o   2.0300   0.7346   2.0210   1.0350   2.0380   1.0430 -0.1694000E-01 1.469000 
1 1 1  -12    8    1 o   28.980   0.2659   29.220   0.3752   28.750   0.3770 0.4658000 0.5319000 
1 1 1  -12    8    2 o   16.030   0.2932   16.220   0.4088   15.850   0.4205 0.3705000 0.5865000 
1 1 1  -12    8    3 o   21.390   0.2985   21.710   0.3698   21.070   0.4688 0.6420000 0.5971000 
1 1 1  -12    8    4 o   6.3360   0.7251   6.6740   0.9484   5.9970   1.0970 0.6767000 1.450000 
1 1 1  -12    8    5 o   42.330   0.2936   42.580   0.4171   42.070   0.4134 0.5077000 0.5873000 
1 1 1  -12    8    6 o   53.520   0.3536   53.630   0.5007   53.410   0.4994 0.2245000 0.7071000 
1 1 1  -12    8    7 o   60.040   0.3913   60.010   0.5533   60.070   0.5537 -0.5896000E-01 0.7827000 
1 1 1  -12    8    8 o   48.460   0.3274   48.530   0.4634   48.380   0.4627 0.1556000 0.6548000 
1 1 1  -12    8    9 o   48.820   0.3832   48.350   0.5384   49.300   0.5453 -0.9452000 0.7663000 
1 1 1  -12    8   10 o   79.740   0.5111   79.490   0.7202   79.990   0.7253 -0.4936000 1.022000 
1 1 1  -12    8   11 o   17.610   0.3076   17.700   0.4291   17.520   0.4407 0.1788000 0.6151000 
1 1 1  -12    8   12 f   43.450   0.3329   43.100   0.4975   43.800   0.4426 -0.6967000 0.6659000 
1 1 1  -12    8   13 o   99.140   0.6311   98.810   0.8894   99.480   0.8957 -0.6700000 1.262000 
1 1 1  -12    8   14 o   8.6720   0.6843   8.9880   0.9024   8.3550   1.0290 0.6334000 1.369000 
1 1 1  -12    8   15 o   58.850   0.3977   58.690   0.5598   59.010   0.5651 -0.3120000 0.7954000 
1 1 1  -12    8   16 o   58.170   0.3967   57.870   0.5568   58.470   0.5651 -0.6021000 0.7934000 
1 1 1  -12    8   17 o   32.180   0.3770   31.880   0.5242   32.480   0.5420 -0.5998000 0.7541000 
1 1 1  -12    8   18 o   20.750   0.4010   20.770   0.5463   20.730   0.5871 0.3421000E-01 0.8020000 
1 1 1  -12    8   19 o   40.940   0.3804   41.070   0.5288   40.810   0.5470 0.2613000 0.7608000 
1 1 1  -12    8   20 o   22.680   0.3843   23.090   0.5269   22.280   0.5596 0.8119000 0.7687000 
1 1 1  -12    8   21 o   44.290   0.3489   44.180   0.4902   44.400   0.4966 -0.2275000 0.6977000 
1 1 1  -12    8   22 o   26.360   0.4048   26.720   0.5311   26.010   0.6112 0.7142000 0.8097000 
1 1 1  -12    8   23 o   20.140   0.4554   20.560   0.5833   19.720   0.6996 0.8458000 0.9109000 
1 1 1  -12    8   24 f   53.730   0.4455   53.450   0.6300   54.020   0.6302 -0.5691000 0.8910000 
1 1 1  -12    8   25 o   28.460   0.3271   28.750   0.4480   28.180   0.4768 0.5684000 0.6542000 
1 1 1  -12    8   26 o   4.8690   1.1450   5.3310   1.5780   4.4070   1.6610 0.9236000 2.291000 
1 1 1  -12    8   27 o   21.840   0.3684   21.780   0.5072   21.900   0.5344 -0.1216000 0.7368000 
1 1 1  -12    8   28 o   11.800   0.6078   11.080   0.8765   12.510   0.8423 -1.427000 1.216000 
1 1 1  -12    8   29 o   10.200   0.7156   9.2340   1.0400   11.160   0.9832 -1.929000 1.431000 
1 1 1  -12    8   30 o   6.4790   1.1810   6.5810   1.6000   6.3770   1.7380 0.2034000 2.363000 
1 1 1  -12    8   31 o   4.7090   1.3230   4.4220   1.8220   4.9970   1.9180 -0.5757000 2.646000 
1 1 1  -12    8   32 o   10.800   0.9468   11.510   1.1700   10.080   1.4890 1.435000 1.894000 
1 1 1  -12    8   33 o   11.790   0.8269   11.040   1.2100   12.540   1.1280 -1.500000 1.654000 
1 1 1  -12    8   34 o   4.4090   1.2870   3.7840   1.6760   5.0340   1.9540 -1.250000 2.574000 
1 1 1  -12    8   35 o   4.1500   1.3150   3.6360   1.6860   4.6640   2.0190 -1.027000 2.631000 
1 1 1  -12    8   36 o   3.1460   1.0800   3.5310   1.6680   2.7600   1.3730 0.7717000 2.161000 
1 1 1  -12    8   37 o   2.5020   0.8886   2.6380   1.3090   2.3670   1.2020 0.2711000 1.777000 
1 1 1  -12   10    1 o   44.860   0.3077   45.180   0.4379   44.540   0.4324 0.6417000 0.6154000 
1 1 1  -12   10    2 o   26.980   0.2477   26.940   0.3535   27.010   0.3471 -0.7119000E-01 0.4954000 
1 1 1  -12   10    3 o   45.740   0.3131   45.830   0.4437   45.650   0.4418 0.1773000 0.6262000 
1 1 1  -12   10    4 o   37.970   0.2794   38.160   0.3958   37.790   0.3946 0.3732000 0.5589000 
1 1 1  -12   10    5 o   22.930   0.2652   22.810   0.3725   23.060   0.3775 -0.2499000 0.5303000 
1 1 1  -12   10    6 o   36.680   0.3242   36.710   0.4599   36.660   0.4570 0.5019000E-01 0.6483000 
1 1 1  -12   10    7 o   43.670   0.3592   43.530   0.5067   43.820   0.5094 -0.2878000 0.7185000 
1 1 1  -12   10    8 o   23.760   0.2776   23.790   0.3890   23.720   0.3961 0.7530000E-01 0.5551000 
1 1 1  -12   10    9 f   51.830   0.3531   51.910   0.4987   51.750   0.4999 0.1522000 0.7061000 
1 1 1  -12   10   10 o   46.910   0.3569   47.460   0.4685   46.370   0.5385 1.094000 0.7138000 
1 1 1  -12   10   11 o   59.950   0.3999   60.080   0.5657   59.820   0.5653 0.2605000 0.7997000 
1 1 1  -12   10   12 o  121.800   0.7725  121.200   1.0870  122.400   1.0980 -1.204000 1.545000 
1 1 1  -12   10   13 o   26.800   0.3118   26.910   0.4322   26.680   0.4495 0.2286000 0.6235000 
1 1 1  -12   10   14 o   22.690   0.4128   22.620   0.5769   22.760   0.5906 -0.1322000 0.8256000 
1 1 1  -12   10   15 o   28.010   0.4577   28.620   0.5323   27.390   0.7447 1.224000 0.9153000 
1 1 1  -12   10   16 o   60.710   0.4836   60.450   0.6803   60.970   0.6874 -0.5190000 0.9671000 
1 1 1  -12   10   17 o   19.180   0.4419   18.550   0.6197   19.810   0.6301 -1.261000 0.8838000 
1 1 1  -12   10   18 o   41.540   0.3862   41.420   0.5325   41.650   0.5594 -0.2318000 0.7723000 
1 1 1  -12   10   19 o   18.370   0.4621   17.780   0.6424   18.950   0.6645 -1.173000 0.9242000 
1 1 1  -12   10   20 o   10.040   0.7910   10.260   1.0420   9.8200   1.1900 0.4360000 1.582000 
1 1 1  -12   10   21 o   11.190   0.8049   10.980   1.0470   11.410   1.2230 -0.4360000 1.610000 
1 1 1  -12   10   22 o   24.990   0.4111   25.010   0.5513   24.970   0.6101 0.4337000E-01 0.8223000 
1 1 1  -12   10   23 o   18.700   0.4796   18.280   0.6791   19.120   0.6774 -0.8314000 0.9592000 
1 1 1  -12   10   24 o   21.100   0.4428   21.420   0.6118   20.780   0.6402 0.6441000 0.8855000 
1 1 1  -12   10   25 o   25.810   0.3372   25.620   0.4625   26.010   0.4908 -0.3924000 0.6744000 
1 1 1  -12   10   26 o   16.920   0.4385   17.410   0.5730   16.440   0.6639 0.9693000 0.8770000 
1 1 1  -12   10   27 o   10.540   0.6874   9.7590   0.9957   11.310   0.9481 -1.554000 1.375000 
1 1 1  -12   10   28 o   22.110   0.3802   22.320   0.5088   21.900   0.5651 0.4185000 0.7604000 
1 1 1  -12   10   29 o   11.740   0.6829   12.280   0.8845   11.200   1.0410 1.086000 1.366000 
1 1 1  -12   10   30 o   4.4390   1.2860   4.5890   1.8370   4.2890   1.8010 0.3001000 2.573000 
1 1 1  -12   10   31 o   4.6970   1.3060   4.5990   1.7820   4.7940   1.9110 -0.1945000 2.613000 
1 1 1  -12   10   32 o   5.0180   1.3910   4.5530   1.8650   5.4830   2.0650 -0.9303000 2.782000 
1 1 1  -12   10   33 o   3.8630   1.2050   3.2960   1.5440   4.4300   1.8500 -1.134000 2.409000 
1 1 1  -12   10   34 o   5.5160   1.3450   6.9700   1.9430   4.0630   1.8600 2.907000 2.689000 
1 1 1  -12   10   35 o   2.7680   0.9624   2.5340   1.2650   3.0010   1.4500 -0.4675000 1.925000 
1 1 1  -12   10   36 o   2.1380   0.7769   2.0970   1.0820   2.1780   1.1150 -0.8025000E-01 1.554000 
1 1 1  -12   12    1 o   86.410   0.5519   86.150   0.7782   86.670   0.7827 -0.5156000 1.104000 
1 1 1  -12   12    2 o   72.130   0.4658   71.660   0.6545   72.600   0.6629 -0.9456000 0.9316000 
1 1 1  -12   12    3 o   27.420   0.2916   27.140   0.4396   27.700   0.3832 -0.5569000 0.5832000 
1 1 1  -12   12    4 o   21.300   0.2959   21.220   0.4112   21.390   0.4256 -0.1730000 0.5917000 
1 1 1  -12   12    5 o   37.610   0.3158   38.370   0.4132   36.860   0.4778 1.509000 0.6317000 
1 1 1  -12   12    6 o   89.430   0.5718   89.250   0.8060   89.620   0.8112 -0.3731000 1.144000 
1 1 1  -12   12    7 o   48.810   0.3683   48.530   0.5524   49.100   0.4874 -0.5691000 0.7367000 
1 1 1  -12   12    8 o   9.4090   0.6535   9.5640   0.8870   9.2550   0.9600 0.3091000 1.307000 
1 1 1  -12   12    9 o   15.630   0.4315   15.670   0.5973   15.590   0.6229 0.7194000E-01 0.8630000 
1 1 1  -12   12   10 o   40.480   0.3187   40.660   0.4489   40.300   0.4526 0.3530000 0.6375000 
1 1 1  -12   12   11 o   26.220   0.3892   26.140   0.5449   26.310   0.5558 -0.1708000 0.7784000 
1 1 1  -12   12   12 o   57.310   0.3946   57.190   0.5561   57.430   0.5600 -0.2317000 0.7892000 
1 1 1  -12   12   13 o   10.450   0.8961   10.590   1.2320   10.310   1.3020 0.2816000 1.792000 
1 1 1  -12   12   14 f   42.620   0.4105   42.730   0.5752   42.520   0.5858 0.2096000 0.8210000 
1 1 1  -12   12   15 o   45.480   0.3600   45.420   0.5026   45.540   0.5156 -0.1175000 0.7200000 
1 1 1  -12   12   16 o   38.010   0.3508   37.720   0.4875   38.300   0.5046 -0.5767000 0.7016000 
1 1 1  -12   12   17 o   34.030   0.3837   34.080   0.5254   33.980   0.5594 0.9795000E-01 0.7675000 
1 1 1  -12   12   18 o   40.950   0.3501   40.830   0.4858   41.070   0.5044 -0.2424000 0.7002000 
1 1 1  -12   12   19 o   32.660   0.3390   32.390   0.4710   32.930   0.4877 -0.5352000 0.6780000 
1 1 1  -12   12   20 o   33.920   0.3910   34.030   0.5288   33.820   0.5760 0.2112000 0.7819000 
1 1 1  -12   12   21 o   36.240   0.3282   36.110   0.4570   36.360   0.4713 -0.2554000 0.6565000 
1 1 1  -12   12   22 o   12.730   0.6868   12.010   0.9799   13.440   0.9627 -1.433000 1.374000 
1 1 1  -12   12   23 o   7.5860   1.1110   7.8830   1.4820   7.2890   1.6550 0.5941000 2.222000 
1 1 1  -12   12   24 o   18.220   0.4196   18.150   0.5615   18.290   0.6236 -0.1334000 0.8392000 
1 1 1  -12   12   25 f   27.680   0.3371   27.700   0.4606   27.670   0.4924 0.2974000E-01 0.6742000 
1 1 1  -12   12   26 o   7.8430   0.9554   6.4070   1.5120   9.2790   1.1680 -2.872000 1.911000 
1 1 1  -12   12   27 o   5.1370   1.1640   3.9060   1.5940   6.3680   1.6970 -2.462000 2.329000 
1 1 1  -12   12   28 o   16.160   0.5035   16.210   0.6767   16.110   0.7458 0.1003000 1.007000 
1 1 1  -12   12   29 o   8.7150   1.1520   7.7600   1.7550   9.6700   1.4940 -1.910000 2.305000 
1 1 1  -12   12   30 o   14.120   0.6247   14.160   0.8411   14.090   0.9239 0.6990000E-01 1.249000 
1 1 1  -12   12   31 o   6.2090   1.2710   8.0450   1.7000   4.3730   1.8890 3.671000 2.542000 
1 1 1  -12   12   32 o   3.8900   1.1920   2.8120   1.3910   4.9690   1.9350 -2.156000 2.383000 
1 1 1  -12   12   33 o   4.9140   1.5340   5.1290   2.3190   4.6990   2.0080 0.4308000 3.067000 
1 1 1  -12   12   34 o   3.7800   1.2700   3.7110   1.8220   3.8480   1.7710 -0.1376000 2.541000 
1 1 1  -12   12   35 o   2.8720   1.0080   2.8130   1.4100   2.9310   1.4420 -0.1188000 2.017000 
1 1 1  -12   14    1 o  108.700   0.6907  108.800   0.9773  108.600   0.9761 0.1319000 1.381000 
1 1 1  -12   14    2 o   57.170   0.3854   57.390   0.5466   56.960   0.5436 0.4230000 0.7709000 
1 1 1  -12   14    3 o   81.310   0.5240   81.670   0.7443   80.950   0.7379 0.7146000 1.048000 
1 1 1  -12   14    4 o   32.450   0.3245   32.980   0.4217   31.910   0.4934 1.064000 0.6490000 
1 1 1  -12   14    5 o   41.320   0.3188   42.140   0.4511   40.510   0.4507 1.633000 0.6377000 
1 1 1  -12   14    6 o   81.260   0.5693   79.820   0.7300   82.710   0.8738 -2.893000 1.139000 
1 1 1  -12   14    7 o   9.4950   0.7318   9.3770   1.0090   9.6130   1.0600 -0.2362000 1.464000 
1 1 1  -12   14    8 o   32.370   0.3329   31.940   0.4291   32.810   0.5092 -0.8725000 0.6659000 
1 1 1  -12   14    9 o   42.900   0.3398   42.800   0.4774   43.000   0.4836 -0.1972000 0.6796000 
1 1 1  -12   14   10 o   36.790   0.3946   36.510   0.5507   37.070   0.5652 -0.5511000 0.7891000 
1 1 1  -12   14   11 o   15.550   0.6807   16.180   0.8921   14.910   1.0280 1.265000 1.361000 
1 1 1  -12   14   12 o   17.840   0.5036   17.640   0.7158   18.050   0.7086 -0.4115000 1.007000 
1 1 1  -12   14   13 o   42.990   0.3572   42.660   0.5015   43.320   0.5089 -0.6636000 0.7145000 
1 1 1  -12   14   14 o   32.150   0.3911   31.420   0.5048   32.890   0.5974 -1.475000 0.7821000 
1 1 1  -12   14   15 o   27.390   0.4146   27.000   0.5740   27.790   0.5984 -0.7871000 0.8292000 
1 1 1  -12   14   16 o   40.760   0.3965   40.970   0.5546   40.560   0.5668 0.4030000 0.7930000 
1 1 1  -12   14   17 o   17.200   0.5068   17.340   0.6795   17.070   0.7523 0.2717000 1.014000 
1 1 1  -12   14   18 o   20.220   0.5114   20.310   0.6615   20.140   0.7800 0.1739000 1.023000 
1 1 1  -12   14   19 o   14.870   0.6207   14.630   0.8403   15.110   0.9137 -0.4834000 1.241000 
1 1 1  -12   14   20 o   27.540   0.3520   27.790   0.4749   27.290   0.5197 0.5016000 0.7040000 
1 1 1  -12   14   21 o   15.060   0.6034   15.060   0.8326   15.070   0.8735 -0.3044000E-02 1.207000 
1 1 1  -12   14   22 o   28.090   0.4000   28.040   0.5637   28.130   0.5678 -0.9269000E-01 0.8001000 
1 1 1  -12   14   23 o   12.450   0.6046   12.560   0.7728   12.330   0.9300 0.2305000 1.209000 
1 1 1  -12   14   24 o   19.250   0.4157   18.620   0.5695   19.870   0.6056 -1.251000 0.8313000 
1 1 1  -12   14   25 o   14.130   0.5364   14.310   0.7050   13.950   0.8086 0.3576000 1.073000 
1 1 1  -12   14   26 o   4.6760   1.1430   5.8410   1.6720   3.5110   1.5600 2.330000 2.287000 
1 1 1  -12   14   27 o   5.7720   1.1540   7.3330   1.5220   4.2110   1.7350 3.122000 2.308000 
1 1 1  -12   14   28 o   8.0240   1.3450   4.8120   2.2060   11.240   1.5400 -6.424000 2.690000 
1 1 1  -12   14   29 o   13.640   0.7797   13.100   1.2530   14.180   0.9290 -1.081000 1.559000 
1 1 1  -12   14   30 o   15.250   0.7937   14.940   1.1740   15.560   1.0690 -0.6132000 1.587000 
1 1 1  -12   14   31 o   3.9630   1.2440   3.3090   1.6110   4.6170   1.8970 -1.308000 2.489000 
1 1 1  -12   14   32 o   4.8220   1.3870   3.5280   1.7110   6.1160   2.1830 -2.588000 2.774000 
1 1 1  -12   14   33 f   5.2730   1.3210   7.1710   2.0540   3.3750   1.6630 3.796000 2.642000 
1 1 1  -12   14   34 o   3.1370   1.0780   3.2460   1.5610   3.0270   1.4870 0.2198000 2.156000 
1 1 1  -12   14   35 o   2.0100   1.0450   2.0100   1.0450  ?   ?       ?      ? 
1 1 1  -12   16    1 o   39.000   0.3721   38.900   0.5252   39.100   0.5273 -0.2018000 0.7442000 
1 1 1  -12   16    2 o   65.660   0.5057   65.550   0.7144   65.770   0.7159 -0.2226000 1.011000 
1 1 1  -12   16    3 o   33.730   0.3662   33.790   0.5180   33.670   0.5178 0.1151000 0.7324000 
1 1 1  -12   16    4 o   33.730   0.3736   32.930   0.5294   34.520   0.5272 -1.586000 0.7471000 
1 1 1  -12   16    5 o   10.900   0.8472   10.540   1.1990   11.250   1.1980 -0.7098000 1.694000 
1 1 1  -12   16    6 o   34.760   0.3946   35.030   0.5440   34.480   0.5718 0.5419000 0.7892000 
1 1 1  -12   16    7 o   74.280   0.5697   74.680   0.8062   73.880   0.8051 0.8046000 1.139000 
1 1 1  -12   16    8 o   74.590   0.4949   74.700   0.6979   74.490   0.7018 0.2135000 0.9898000 
1 1 1  -12   16    9 o   45.300   0.3612   45.320   0.5041   45.270   0.5174 0.5692000E-01 0.7223000 
1 1 1  -12   16   10 o   23.120   0.4234   22.890   0.5921   23.350   0.6054 -0.4622000 0.8468000 
1 1 1  -12   16   11 o   4.5050   1.2760   4.6200   1.8140   4.3910   1.7940 0.2287000 2.552000 
1 1 1  -12   16   12 o   59.130   0.4196   59.340   0.5902   58.920   0.5967 0.4149000 0.8392000 
1 1 1  -12   16   13 o   14.580   0.6801   15.360   0.8786   13.800   1.0380 1.558000 1.360000 
1 1 1  -12   16   14 o   21.870   0.4679   21.590   0.6545   22.150   0.6688 -0.5544000 0.9357000 
1 1 1  -12   16   15 o   6.7350   1.3260   6.2390   1.7830   7.2320   1.9640 -0.9935000 2.652000 
1 1 1  -12   16   16 o   8.7080   1.1650   7.8240   1.6880   9.5920   1.6060 -1.768000 2.330000 
1 1 1  -12   16   17 f   6.3270   1.1660   7.8160   1.4620   4.8390   1.8180 2.977000 2.333000 
1 1 1  -12   16   18 f   16.930   0.4918   16.080   0.6978   17.770   0.6931 -1.686000 0.9835000 
1 1 1  -12   16   19 o   18.930   0.4328   18.940   0.5848   18.920   0.6383 0.1827000E-01 0.8657000 
1 1 1  -12   16   20 o   13.180   0.6615   13.000   0.9416   13.360   0.9294 -0.3565000 1.323000 
1 1 1  -12   16   21 o   18.650   0.4383   18.880   0.5846   18.410   0.6533 0.4760000 0.8766000 
1 1 1  -12   16   22 o   14.110   0.5329   13.800   0.7408   14.410   0.7664 -0.6116000 1.066000 
1 1 1  -12   16   23 o   5.7150   1.3020   6.3880   1.9150   5.0420   1.7660 1.346000 2.605000 
1 1 1  -12   16   24 o   17.070   0.5504   16.540   0.8608   17.600   0.6860 -1.054000 1.101000 
1 1 1  -12   16   25 o   12.970   0.7092   13.550   1.0640   12.390   0.9382 1.159000 1.418000 
1 1 1  -12   16   26 o   6.6840   1.5720   6.0580   2.4980   7.3100   1.9070 -1.252000 3.143000 
1 1 1  -12   16   27 o   4.0510   1.3280   3.9860   1.9300   4.1160   1.8260 -0.1304000 2.657000 
1 1 1  -12   16   28 o   17.710   0.5202   17.090   0.7253   18.330   0.7458 -1.238000 1.040000 
1 1 1  -12   16   29 f   7.8550   1.3440   8.0100   1.7510   7.7000   2.0390 0.3105000 2.687000 
1 1 1  -12   16   30 o   3.9830   1.2070   4.6340   1.8200   3.3320   1.5870 1.302000 2.415000 
1 1 1  -12   16   31 o   3.9150   1.2520   4.4490   1.8900   3.3800   1.6420 1.069000 2.504000 
1 1 1  -12   16   32 o   4.1380   1.2470   4.7150   1.8710   3.5620   1.6490 1.153000 2.493000 
1 1 1  -12   16   33 o   3.4190   1.1190   3.3610   1.5600   3.4780   1.6050 -0.1170000 2.239000 
1 1 1  -12   18    1 o   45.680   0.3600   45.830   0.5088   45.530   0.5095 0.2962000 0.7200000 
1 1 1  -12   18    2 o   33.490   0.3495   34.010   0.4934   32.960   0.4950 1.051000 0.6989000 
1 1 1  -12   18    3 o   44.770   0.3890   44.320   0.5028   45.220   0.5938 -0.9001000 0.7781000 
1 1 1  -12   18    4 o   24.610   0.3986   24.990   0.5609   24.230   0.5666 0.7607000 0.7973000 
1 1 1  -12   18    5 o   65.060   0.4818   65.110   0.6277   65.000   0.7311 0.1112000 0.9636000 
1 1 1  -12   18    6 o   32.410   0.3625   33.030   0.4947   31.790   0.5299 1.235000 0.7249000 
1 1 1  -12   18    7 o   7.3680   1.2200   6.5950   1.7740   8.1410   1.6760 -1.546000 2.441000 
1 1 1  -12   18    8 o   52.790   0.3909   52.050   0.5420   53.540   0.5635 -1.488000 0.7819000 
1 1 1  -12   18    9 o   27.090   0.4351   26.920   0.6112   27.250   0.6194 -0.3324000 0.8702000 
1 1 1  -12   18   10 o   32.060   0.4063   31.550   0.5650   32.570   0.5842 -1.019000 0.8127000 
1 1 1  -12   18   11 o   11.740   0.8225   11.390   1.1650   12.090   1.1610 -0.7024000 1.645000 
1 1 1  -12   18   12 f   39.850   0.4161   39.720   0.5687   39.980   0.6076 -0.2641000 0.8322000 
1 1 1  -12   18   13 o   45.110   0.4249   45.110   0.5879   45.110   0.6135 0.1675000E-02 0.8497000 
1 1 1  -12   18   14 o   21.290   0.5092   21.470   0.6768   21.110   0.7610 0.3664000 1.018000 
1 1 1  -12   18   15 f   24.790   0.3911   24.400   0.5420   25.170   0.5640 -0.7744000 0.7822000 
1 1 1  -12   18   16 o   14.070   0.5925   14.060   0.7822   14.070   0.8903 -0.3338000E-02 1.185000 
1 1 1  -12   18   17 o   17.680   0.4712   18.220   0.6256   17.130   0.7048 1.091000 0.9424000 
1 1 1  -12   18   18 o   19.220   0.5105   19.450   0.7428   18.980   0.7004 0.4684000 1.021000 
1 1 1  -12   18   19 o   6.0910   1.2030   7.9120   1.6400   4.2700   1.7620 3.642000 2.407000 
1 1 1  -12   18   20 o   25.190   0.4268   24.800   0.6732   25.590   0.5248 -0.7888000 0.8536000 
1 1 1  -12   18   21 o   8.2920   1.0600   8.7210   1.5240   7.8630   1.4730 0.8580000 2.119000 
1 1 1  -12   18   22 o   11.540   0.8019   10.550   1.3220   12.530   0.9088 -1.981000 1.604000 
1 1 1  -12   18   23 o   10.720   0.7598   11.550   0.9494   9.8910   1.1860 1.658000 1.520000 
1 1 1  -12   18   24 o   12.970   0.6503   12.600   0.8942   13.350   0.9445 -0.7502000 1.301000 
1 1 1  -12   18   25 o   7.8520   1.3350   8.3130   1.8020   7.3900   1.9710 0.9233000 2.671000 
1 1 1  -12   18   26 o   10.560   0.8218   9.9350   1.1270   11.180   1.1970 -1.250000 1.644000 
1 1 1  -12   18   27 o   7.0760   1.2070   5.3650   1.8090   8.7870   1.5990 -3.422000 2.414000 
1 1 1  -12   18   28 o   13.730   0.7673   13.930   0.9629   13.530   1.1950 0.4007000 1.535000 
1 1 1  -12   18   29 o   6.1790   1.3580   6.8200   1.8450   5.5390   1.9940 1.281000 2.716000 
1 1 1  -12   18   30 o   4.9210   1.3920   5.5360   2.0180   4.3060   1.9170 1.230000 2.783000 
1 1 1  -12   18   31 o   3.2550   1.0860   3.2710   1.5360   3.2400   1.5370 0.3050000E-01 2.173000 
1 1 1  -12   18   32 o   2.6660   0.9317   2.5700   1.2760   2.7620   1.3580 -0.1920000 1.863000 
1 1 1  -12   20    1 o   42.940   0.4128   43.170   0.5849   42.710   0.5826 0.4564000 0.8255000 
1 1 1  -12   20    2 o   44.630   0.4157   44.630   0.5901   44.640   0.5857 -0.4230000E-02 0.8314000 
1 1 1  -12   20    3 o   9.3880   1.1350   7.2570   1.9210   11.520   1.2090 -4.263000 2.270000 
1 1 1  -12   20    4 o   15.430   0.6635   14.720   0.9957   16.130   0.8771 -1.412000 1.327000 
1 1 1  -12   20    5 o   19.080   0.5616   18.920   0.7822   19.250   0.8060 -0.3266000 1.123000 
1 1 1  -12   20    6 o   12.500   0.7355   12.950   0.9447   12.050   1.1280 0.8969000 1.471000 
1 1 1  -12   20    7 o   12.370   0.8605   12.620   1.0880   12.120   1.3340 0.5041000 1.721000 
1 1 1  -12   20    8 o   30.610   0.4249   30.800   0.5679   30.410   0.6323 0.3895000 0.8499000 
1 1 1  -12   20    9 o   33.380   0.4114   34.170   0.5456   32.590   0.6158 1.580000 0.8228000 
1 1 1  -12   20   10 o   30.650   0.4086   30.650   0.5405   30.640   0.6130 0.1200000E-01 0.8173000 
1 1 1  -12   20   11 o   22.060   0.5031   21.990   0.7962   22.120   0.6150 -0.1298000 1.006000 
1 1 1  -12   20   12 o   15.350   0.6642   14.770   1.0620   15.920   0.7981 -1.151000 1.328000 
1 1 1  -12   20   13 o   24.080   0.4631   23.460   0.7334   24.690   0.5657 -1.224000 0.9262000 
1 1 1  -12   20   14 o   11.070   0.8395   11.230   1.2930   10.900   1.0720 0.3310000 1.679000 
1 1 1  -12   20   15 o   30.810   0.4308   30.780   0.6504   30.840   0.5650 -0.6040000E-01 0.8616000 
1 1 1  -12   20   16 o   28.760   0.4453   29.200   0.6715   28.320   0.5850 0.8841000 0.8906000 
1 1 1  -12   20   17 o   12.380   0.6520   11.810   0.9426   12.950   0.9010 -1.141000 1.304000 
1 1 1  -12   20   18 o   10.250   0.7865   10.650   1.0040   9.8550   1.2110 0.7947000 1.573000 
1 1 1  -12   20   19 o   3.5810   1.1110   3.2990   1.4860   3.8640   1.6530 -0.5651000 2.223000 
1 1 1  -12   20   20 o   24.510   0.3808   24.510   0.5226   24.500   0.5540 0.1371000E-01 0.7616000 
1 1 1  -12   20   21 o   10.160   0.8348   10.720   1.0410   9.6060   1.3050 1.115000 1.670000 
1 1 1  -12   20   22 o   12.100   0.7140   12.470   0.9240   11.740   1.0890 0.7316000 1.428000 
1 1 1  -12   20   23 f   10.540   1.0800   11.140   1.4070   9.9380   1.6390 1.203000 2.159000 
1 1 1  -12   20   24 o   8.4720   1.0750   8.3870   1.4420   8.5580   1.5950 -0.1710000 2.150000 
1 1 1  -12   20   25 o   5.4340   1.2400   3.7220   1.6340   7.1470   1.8660 -3.425000 2.481000 
1 1 1  -12   20   26 o   6.7350   1.3190   7.6450   1.6430   5.8250   2.0650 1.820000 2.639000 
1 1 1  -12   20   27 o   4.2980   1.2700   3.3520   1.5780   5.2430   1.9920 -1.891000 2.541000 
1 1 1  -12   20   28 o   6.4800   1.4540   7.3350   1.9880   5.6250   2.1230 1.709000 2.908000 
1 1 1  -12   20   29 o   5.8920   1.3650   7.2480   1.9400   4.5360   1.9210 2.713000 2.730000 
1 1 1  -12   20   30 o   3.8240   1.1960   4.1140   1.7440   3.5340   1.6360 0.5801000 2.391000 
1 1 1  -12   20   31 o   2.5520   0.9108   2.2900   1.1630   2.8130   1.4020 -0.5232000 1.822000 
1 1 1  -12   22    1 o   16.300   0.5153   15.780   0.7398   16.820   0.7175 -1.041000 1.031000 
1 1 1  -12   22    2 o   23.890   0.3858   24.100   0.5376   23.680   0.5536 0.4265000 0.7717000 
1 1 1  -12   22    3 o   21.650   0.4077   21.330   0.5807   21.960   0.5724 -0.6312000 0.8154000 
1 1 1  -12   22    4 o   24.890   0.4634   24.780   0.7588   25.000   0.5323 -0.2225000 0.9269000 
1 1 1  -12   22    5 o   21.130   0.5235   21.480   0.8252   20.770   0.6445 0.7085000 1.047000 
1 1 1  -12   22    6 o   15.670   0.6666   16.450   1.0170   14.900   0.8624 1.554000 1.333000 
1 1 1  -12   22    7 o   22.760   0.4949   22.330   0.7913   23.190   0.5946 -0.8606000 0.9898000 
1 1 1  -12   22    8 o   4.8100   1.3250   4.4460   1.9080   5.1730   1.8400 -0.7271000 2.651000 
1 1 1  -12   22    9 o   30.250   0.4259   30.950   0.6801   29.560   0.5129 1.391000 0.8518000 
1 1 1  -12   22   10 o   32.880   0.3708   32.380   0.5494   33.380   0.4982 -0.9992000 0.7417000 
1 1 1  -12   22   11 o   7.8820   1.0240   7.1560   1.4990   8.6080   1.3960 -1.452000 2.048000 
1 1 1  -12   22   12 f   6.3050   1.2570   7.1230   1.6490   5.4870   1.8970 1.636000 2.514000 
1 1 1  -12   22   13 o   18.900   0.5077   18.500   0.6923   19.290   0.7429 -0.7857000 1.015000 
1 1 1  -12   22   14 o   4.5160   1.1800   5.2720   1.6970   3.7610   1.6410 1.511000 2.360000 
1 1 1  -12   22   15 o   4.3530   1.2080   4.6350   1.7240   4.0710   1.6920 0.5643000 2.416000 
1 1 1  -12   22   16 o   14.390   0.5841   14.070   0.8154   14.700   0.8367 -0.6303000 1.168000 
1 1 1  -12   22   17 o   6.5610   1.1520   5.1200   1.7480   8.0020   1.5010 -2.881000 2.304000 
1 1 1  -12   22   18 o   4.9830   1.2250   5.7320   1.7340   4.2350   1.7310 1.497000 2.450000 
1 1 1  -12   22   19 o   6.0890   1.2530   7.0430   1.6670   5.1360   1.8710 1.907000 2.506000 
1 1 1  -12   22   20 o   7.8250   1.2200   4.6950   1.9550   10.950   1.4600 -6.259000 2.440000 
1 1 1  -12   22   21 o   5.6700   1.4800   5.4190   2.0700   5.9210   2.1160 -0.5027000 2.960000 
1 1 1  -12   22   22 o   4.1930   1.2330   4.2580   1.7340   4.1270   1.7520 0.1310000 2.465000 
1 1 1  -12   22   23 o   5.5260   1.2860   4.3350   1.7640   6.7160   1.8710 -2.381000 2.571000 
1 1 1  -12   22   24 o   4.0600   1.2340   3.9470   1.6950   4.1740   1.7930 -0.2274000 2.468000 
1 1 1  -12   22   25 o   7.7210   1.3410   7.5210   1.8650   7.9200   1.9290 -0.3996000 2.683000 
1 1 1  -12   22   26 o   13.420   0.8260   13.390   1.1100   13.450   1.2240 -0.5995000E-01 1.652000 
1 1 1  -12   22   27 o   5.3960   1.4530   4.9850   1.9920   5.8080   2.1150 -0.8229000 2.906000 
1 1 1  -12   22   28 o   3.5240   1.1160   4.1600   1.7360   2.8880   1.4040 1.272000 2.233000 
1 1 1  -12   22   29 o   2.4670   0.8693   2.7120   1.3250   2.2220   1.1250 0.4893000 1.739000 
1 1 1  -12   24    1 o   26.010   0.4695   26.270   0.7255   25.750   0.5962 0.5231000 0.9390000 
1 1 1  -12   24    2 o   27.990   0.4463   27.480   0.6922   28.500   0.5635 -1.025000 0.8926000 
1 1 1  -12   24    3 o   15.760   0.5876   14.830   0.8589   16.700   0.8021 -1.865000 1.175000 
1 1 1  -12   24    4 o   17.980   0.5197   18.190   0.7076   17.760   0.7613 0.4303000 1.039000 
1 1 1  -12   24    5 o   12.440   0.7490   10.820   1.1530   14.070   0.9565 -3.247000 1.498000 
1 1 1  -12   24    6 o   17.350   0.5517   18.010   0.7283   16.690   0.8290 1.326000 1.103000 
1 1 1  -12   24    7 o   4.9540   1.2610   3.7160   1.6420   6.1920   1.9150 -2.476000 2.523000 
1 1 1  -12   24    8 o   4.1860   1.2340   3.5910   1.6100   4.7810   1.8700 -1.190000 2.467000 
1 1 1  -12   24    9 o   19.030   0.5110   19.210   0.6900   18.860   0.7540 0.3492000 1.022000 
1 1 1  -12   24   10 o   20.540   0.4274   20.290   0.5843   20.800   0.6239 -0.5065000 0.8548000 
1 1 1  -12   24   11 o   23.530   0.3932   23.330   0.5292   23.740   0.5817 -0.4146000 0.7864000 
1 1 1  -12   24   12 f   21.500   0.4201   21.900   0.5471   21.100   0.6377 0.8051000 0.8402000 
1 1 1  -12   24   13 o   14.820   0.5717   14.830   0.7452   14.800   0.8671 0.2621000E-01 1.143000 
1 1 1  -12   24   14 o   10.780   0.7740   10.590   1.0210   10.970   1.1630 -0.3815000 1.548000 
1 1 1  -12   24   15 o   12.210   0.6982   12.720   0.8778   11.700   1.0860 1.017000 1.396000 
1 1 1  -12   24   16 o   5.8920   1.2180   7.0320   1.5720   4.7520   1.8600 2.280000 2.435000 
1 1 1  -12   24   17 o   5.7600   1.3680   7.3560   2.0190   4.1640   1.8460 3.192000 2.735000 
1 1 1  -12   24   18 o   4.1690   1.3120   4.2830   1.8830   4.0540   1.8270 0.2290000 2.623000 
1 1 1  -12   24   19 o   9.1000   1.0090   10.360   1.1530   7.8450   1.6570 2.511000 2.018000 
1 1 1  -12   24   20 o   11.670   0.9729   10.560   1.6330   12.770   1.0580 -2.210000 1.946000 
1 1 1  -12   24   21 o   4.5670   1.2660   5.4080   1.8900   3.7270   1.6850 1.681000 2.532000 
1 1 1  -12   24   22 o   4.8860   1.3390   5.0150   1.8700   4.7580   1.9160 0.2566000 2.677000 
1 1 1  -12   24   23 o   10.640   1.1370   12.970   1.1220   8.3020   1.9780 4.670000 2.274000 
1 1 1  -12   24   24 o   3.9020   1.2580   4.0340   1.8000   3.7700   1.7570 0.2640000 2.515000 
1 1 1  -12   24   25 o   3.6510   1.2010   3.8040   1.7320   3.4990   1.6640 0.3052000 2.402000 
1 1 1  -12   24   26 o   3.2430   1.0710   2.4910   1.2430   3.9940   1.7440 -1.502000 2.142000 
1 1 1  -12   24   27 o   3.2450   1.0670   3.7700   1.6620   2.7210   1.3390 1.048000 2.135000 
1 1 1  -12   24   28 o   1.3020   0.4809   1.3090   0.6839   1.2950   0.6763 0.1452000E-01 0.9618000 
1 1 1  -12   26    1 o   9.2100   0.9041   10.550   1.0850   7.8730   1.4460 2.674000 1.808000 
1 1 1  -12   26    2 o   23.500   0.3864   24.000   0.5439   23.000   0.5491 1.002000 0.7729000 
1 1 1  -12   26    3 o   23.440   0.3878   23.860   0.5470   23.030   0.5497 0.8315000 0.7755000 
1 1 1  -12   26    4 o   3.3970   1.0790   3.5810   1.5740   3.2140   1.4750 0.3672000 2.157000 
1 1 1  -12   26    5 o   4.0160   1.1650   3.2540   1.4880   4.7780   1.7930 -1.524000 2.330000 
1 1 1  -12   26    6 o   14.920   0.5675   14.680   0.7860   15.170   0.8189 -0.4875000 1.135000 
1 1 1  -12   26    7 o   10.210   0.8272   9.7400   1.1610   10.690   1.1790 -0.9467000 1.654000 
1 1 1  -12   26    8 o   13.760   0.6181   13.220   0.8597   14.300   0.8883 -1.087000 1.236000 
1 1 1  -12   26    9 o   3.5270   1.1120   3.0340   1.4220   4.0200   1.7100 -0.9860000 2.224000 
1 1 1  -12   26   10 o   3.7430   1.1540   3.3850   1.5250   4.1000   1.7340 -0.7150000 2.309000 
1 1 1  -12   26   11 f   8.9040   0.9783   8.8120   1.3220   8.9950   1.4430 -0.1830000 1.957000 
1 1 1  -12   26   12 o   9.0860   0.9590   8.8150   1.3050   9.3570   1.4050 -0.5416000 1.918000 
1 1 1  -12   26   13 o   12.580   0.8720   13.230   1.0900   11.940   1.3610 1.293000 1.744000 
1 1 1  -12   26   14 o   10.240   1.0380   10.670   1.3350   9.8000   1.5900 0.8735000 2.076000 
1 1 1  -12   26   15 o   4.5080   1.3430   4.5880   1.8940   4.4280   1.9050 0.1599000 2.686000 
1 1 1  -12   26   16 o   16.420   0.5565   16.460   0.7673   16.380   0.8061 0.8158000E-01 1.113000 
1 1 1  -12   26   17 o   5.9580   1.3380   5.5910   1.8750   6.3250   1.9080 -0.7341000 2.675000 
1 1 1  -12   26   18 f   3.8040   1.1940   3.7690   1.6670   3.8390   1.7100 -0.7023000E-01 2.389000 
1 1 1  -12   26   19 o   3.3340   1.1060   3.4040   1.5780   3.2640   1.5510 0.1399000 2.213000 
1 1 1  -12   26   20 o   6.3930   1.3000   8.3600   1.7590   4.4270   1.9150 3.934000 2.600000 
1 1 1  -12   26   21 o   12.670   0.9922   13.140   1.1560   12.210   1.6130 0.9318000 1.984000 
1 1 1  -12   26   22 o   4.0200   1.2710   4.4150   1.8890   3.6240   1.7010 0.7911000 2.542000 
1 1 1  -12   26   23 o   3.5960   1.1470   4.1580   1.7660   3.0340   1.4640 1.124000 2.294000 
1 1 1  -12   26   24 o   4.0810   1.2380   3.6010   1.6270   4.5600   1.8670 -0.9595000 2.476000 
1 1 1  -12   26   25 o   2.9600   1.0100   3.1300   1.4850   2.7900   1.3690 0.3398000 2.020000 
1 1 1  -12   28    1 o   7.5730   1.1370   7.2270   1.6460   7.9180   1.5690 -0.6901000 2.274000 
1 1 1  -12   28    2 o   7.4150   1.1380   7.8160   1.5250   7.0130   1.6890 0.8033000 2.275000 
1 1 1  -12   28    3 o   9.0100   0.9423   9.5760   1.2110   8.4450   1.4440 1.131000 1.885000 
1 1 1  -12   28    4 o   4.9190   1.1910   3.6110   1.5930   6.2280   1.7710 -2.617000 2.382000 
1 1 1  -12   28    5 o   9.9270   0.8834   10.210   1.1560   9.6430   1.3370 0.5688000 1.767000 
1 1 1  -12   28    6 o   4.5750   1.2890   5.5260   1.9640   3.6240   1.6710 1.901000 2.578000 
1 1 1  -12   28    7 o   4.3050   1.2800   3.4480   1.6070   5.1610   1.9930 -1.713000 2.560000 
1 1 1  -12   28    8 o   5.1460   1.3770   5.7740   1.9900   4.5190   1.9030 1.256000 2.753000 
1 1 1  -12   28    9 o   6.1790   1.4260   6.4450   1.9780   5.9130   2.0540 0.5329000 2.852000 
1 1 1  -12   28   10 o   3.4190   1.1390   3.3540   1.5840   3.4830   1.6370 -0.1289000 2.278000 
1 1 1  -12   28   11 o   4.2550   1.2380   4.2800   1.7370   4.2300   1.7650 0.5032000E-01 2.477000 
1 1 1  -12   28   12 o   7.3250   1.1920   6.8860   1.7020   7.7640   1.6700 -0.8776000 2.385000 
1 1 1  -12   28   13 o   5.9480   1.1810   3.9160   1.6920   7.9800   1.6490 -4.064000 2.362000 
1 1 1  -12   28   14 o   6.0930   1.3200   6.5370   1.8100   5.6490   1.9220 0.8879000 2.640000 
1 1 1  -12   28   15 f   3.9910   1.2030   3.3990   1.5590   4.5840   1.8330 -1.186000 2.407000 
1 1 1  -12   28   16 o   4.7520   1.3130   5.1360   1.8660   4.3680   1.8460 0.7686000 2.625000 
1 1 1  -12   28   17 o   4.3990   1.3350   4.0490   1.7850   4.7500   1.9860 -0.7017000 2.670000 
1 1 1  -12   28   18 o   7.4810   1.4850   9.1780   1.9300   5.7840   2.2580 3.394000 2.970000 
1 1 1  -12   28   19 o   4.8070   1.3860   5.0560   1.9720   4.5570   1.9470 0.4995000 2.771000 
1 1 1  -12   28   20 o   3.3840   1.1120   3.7250   1.6710   3.0430   1.4680 0.6828000 2.224000 
1 1 1  -12   28   21 o   2.8160   0.9784   2.8110   1.3870   2.8210   1.3810 -0.9248000E-02 1.957000 
1 1 1  -12   28   22 o   2.7330   0.9483   2.7810   1.3560   2.6860   1.3260 0.9448000E-01 1.897000 
1 1 1  -12   28   23 o   2.1020   0.7727   2.1050   1.0940   2.0980   1.0910 0.7077000E-02 1.545000 
1 1 1  -12   30    1 o   14.080   0.6520   13.230   0.9555   14.920   0.8873 -1.686000 1.304000 
1 1 1  -12   30    2 o   7.2460   1.1860   5.4580   1.8610   9.0340   1.4720 -3.576000 2.373000 
1 1 1  -12   30    3 o   3.6180   1.1480   3.3770   1.5530   3.8590   1.6900 -0.4817000 2.295000 
1 1 1  -12   30    4 o   4.7120   1.3150   4.9430   1.8300   4.4810   1.8880 0.4629000 2.630000 
1 1 1  -12   30    5 f   8.4250   1.1210   9.8540   1.2900   6.9950   1.8330 2.859000 2.241000 
1 1 1  -12   30    6 o   6.3630   1.2690   7.5390   1.6830   5.1880   1.9000 2.351000 2.538000 
1 1 1  -12   30    7 o   6.4450   1.2880   5.5850   1.8800   7.3060   1.7610 -1.720000 2.576000 
1 1 1  -12   30    8 o   7.1240   1.2600   6.5470   1.8340   7.7000   1.7270 -1.153000 2.519000 
1 1 1  -12   30    9 o   5.9090   1.3240   5.3750   1.8660   6.4430   1.8790 -1.069000 2.648000 
1 1 1  -12   30   10 o   3.6630   1.1060   4.8770   1.8400   2.4500   1.2270 2.426000 2.212000 
1 1 1  -12   30   11 o   4.1670   1.2450   4.4320   1.8000   3.9020   1.7200 0.5302000 2.489000 
1 1 1  -12   30   12 o   3.9250   1.2280   4.5260   1.8700   3.3240   1.5910 1.202000 2.455000 
1 1 1  -12   30   13 o   4.3050   1.3090   4.4060   1.8550   4.2050   1.8460 0.2013000 2.617000 
1 1 1  -12   30   14 o   3.1780   1.1010   3.5710   1.6960   2.7860   1.4060 0.7847000 2.203000 
1 1 1  -12   30   15 o   5.7880   1.4540   5.5270   1.9930   6.0480   2.1170 -0.5206000 2.908000 
1 1 1  -12   30   16 o   3.0950   1.0540   2.8490   1.4010   3.3400   1.5760 -0.4911000 2.108000 
1 1 1  -12   30   17 o   9.9280   0.9918   10.930   1.1950   8.9210   1.5830 2.014000 1.984000 
1 1 1  -12   30   18 o   2.6050   0.9113   2.7130   1.3290   2.4970   1.2480 0.2162000 1.823000 
1 1 1  -12   30   19 o   2.8590   0.9771   3.0980   1.4640   2.6200   1.2950 0.4778000 1.954000 
1 1 1  -12   32    1 o   7.9390   1.3430   6.8350   2.0200   9.0430   1.7720 -2.208000 2.687000 
1 1 1  -12   32    2 o   4.6910   1.2420   6.5760   2.0510   2.8070   1.4010 3.769000 2.484000 
1 1 1  -12   32    3 o   5.1100   1.4150   5.5730   2.0330   4.6460   1.9700 0.9275000 2.831000 
1 1 1  -12   32    4 o   6.3450   1.4330   7.2860   1.9790   5.4040   2.0750 1.882000 2.867000 
1 1 1  -12   32    5 o   6.3260   1.4570   5.5190   2.0200   7.1330   2.1020 -1.614000 2.915000 
1 1 1  -12   32    6 o   4.1480   1.2870   5.3990   2.1230   2.8960   1.4560 2.503000 2.574000 
1 1 1  -12   32    7 o   10.560   1.3230   12.130   1.4960   8.9880   2.1820 3.140000 2.646000 
1 1 1  -12   32    8 o   5.2290   1.4090   5.5710   1.9960   4.8860   1.9900 0.6851000 2.818000 
1 1 1  -12   32    9 f   3.4200   1.1380   2.8920   1.4160   3.9480   1.7830 -1.056000 2.276000 
1 1 1  -12   32   10 o   4.9630   1.3610   5.4380   1.9530   4.4890   1.8980 0.9487000 2.723000 
1 1 1  -12   32   11 o   6.9940   1.2350   8.3820   1.5580   5.6060   1.9170 2.775000 2.470000 
1 1 1  -12   32   12 o   4.7460   1.3000   4.9380   1.8520   4.5530   1.8260 0.3846000 2.601000 
1 1 1  -12   32   13 f   6.1630   1.2640   7.3370   1.6950   4.9900   1.8760 2.347000 2.528000 
1 1 1  -12   32   14 o   2.9830   1.0080   3.2860   1.5230   2.6800   1.3190 0.6055000 2.015000 
1 1 1  -12   32   15 o   2.8750   0.9810   2.7360   1.3340   3.0130   1.4390 -0.2767000 1.962000 
1 1 1  -12   34    1 o   3.0110   1.0210   2.8790   1.3940   3.1440   1.4910 -0.2644000 2.041000 
1 1 1  -12   34    2 o   3.5850   1.1420   3.3840   1.5570   3.7850   1.6710 -0.4019000 2.284000 
1 1 1  -12   34    3 o   2.8690   0.9791   2.4020   1.2010   3.3360   1.5470 -0.9339000 1.958000 
1 1 1  -12   34    4 o   2.7250   0.9407   2.0510   1.0450   3.3980   1.5640 -1.347000 1.881000 
1 1 1  -12   34    5 o   5.2700   1.3020   5.0290   1.8260   5.5100   1.8560 -0.4805000 2.604000 
1 1 1  -12   34    6 o   3.6810   1.1460   4.2220   1.7440   3.1400   1.4860 1.082000 2.291000 
1 1 1  -12   34    7 o   2.6880   0.9283   3.0900   1.4560   2.2860   1.1520 0.8037000 1.857000 
1 1 1  -12   34    8 o   2.2240   0.7938   2.1610   1.0930   2.2860   1.1510 -0.1254000 1.588000 
1 1 1  -11    1    1 o   82.040   0.5968   81.240   0.8360   82.830   0.8520 -1.590000 1.194000 
1 1 1  -11    1    2 o   35.940   0.2499   36.550   0.3832   35.340   0.3208 1.213000 0.4998000 
1 1 1  -11    1    3 o   65.520   0.4126   65.220   0.5808   65.820   0.5861 -0.5982000 0.8251000 
1 1 1  -11    1    4 o   46.720   0.2972   47.310   0.4253   46.120   0.4152 1.198000 0.5943000 
1 1 1  -11    1    5 o   44.680   0.3298   44.900   0.4689   44.450   0.4639 0.4460000 0.6596000 
1 1 1  -11    1    6 o   42.780   0.3191   42.820   0.4515   42.740   0.4512 0.8309000E-01 0.6383000 
1 1 1  -11    1    7 f   88.690   0.5586   87.660   0.7809   89.710   0.7990 -2.050000 1.117000 
1 1 1  -11    1    8 o   40.210   0.2651   40.300   0.3756   40.130   0.3742 0.1698000 0.5302000 
1 1 1  -11    1    9 o   50.100   0.3244   50.000   0.4579   50.200   0.4596 -0.2068000 0.6488000 
1 1 1  -11    1   10 o   31.000   0.2260   30.900   0.3181   31.090   0.3212 -0.1839000 0.4520000 
1 1 1  -11    1   11 o   21.970   0.4148  ?   ?    21.970   0.4148      ?      ? 
1 1 1  -11    1   12 o   51.680   0.3387   51.870   0.4808   51.480   0.4772 0.3881000 0.6774000 
1 1 1  -11    1   13 o   89.430   0.5681   89.610   0.8050   89.250   0.8017 0.3578000 1.136000 
1 1 1  -11    1   14 o   72.520   0.4649   72.640   0.6589   72.400   0.6561 0.2393000 0.9298000 
1 1 1  -11    1   15 o   63.040   0.4099   63.000   0.5793   63.080   0.5802 -0.7287000E-01 0.8198000 
1 1 1  -11    1   16 o   64.080   0.4196   64.340   0.5955   63.820   0.5912 0.5254000 0.8391000 
1 1 1  -11    1   17 o   34.340   0.2887   34.370   0.4079   34.310   0.4087 0.6771000E-01 0.5774000 
1 1 1  -11    1   18 o   41.720   0.3160   41.780   0.4461   41.660   0.4477 0.1199000 0.6320000 
1 1 1  -11    1   19 o   31.350   0.3443   31.350   0.5193   31.350   0.4522 -0.1596000E-02 0.6886000 
1 1 1  -11    1   20 o   8.0860   1.2310   8.5280   1.6540   7.6440   1.8250 0.8843000 2.463000 
1 1 1  -11    1   21 o   14.900   0.5134   15.640   0.6948   14.160   0.7559 1.478000 1.027000 
1 1 1  -11    1   22 o   56.850   0.3954   56.750   0.5581   56.960   0.5601 -0.2128000 0.7907000 
1 1 1  -11    1   23 f   17.330   0.4351   16.530   0.6318   18.130   0.5984 -1.600000 0.8702000 
1 1 1  -11    1   24 o   13.510   0.6406   12.930   0.8685   14.100   0.9418 -1.168000 1.281000 
1 1 1  -11    1   25 o   9.1900   1.1760   9.1980   1.6660   9.1830   1.6600 0.1497000E-01 2.352000 
1 1 1  -11    1   26 o   16.640   0.4315   16.810   0.5972   16.470   0.6229 0.3391000 0.8630000 
1 1 1  -11    1   27 o   7.5010   0.9651   5.6730   1.6120   9.3290   1.0610 -3.655000 1.930000 
1 1 1  -11    1   28 o   21.480   0.3645   21.430   0.5121   21.530   0.5189 -0.9770000E-01 0.7290000 
1 1 1  -11    1   29 o   12.130   0.5849   11.620   0.8558   12.640   0.7976 -1.018000 1.170000 
1 1 1  -11    1   30 o   13.550   0.5438   14.290   0.7188   12.810   0.8163 1.486000 1.088000 
1 1 1  -11    1   31 o   7.4580   1.0610   8.0580   1.3760   6.8590   1.6170 1.199000 2.123000 
1 1 1  -11    1   32 o   16.630   0.6761   17.450   0.8994   15.810   1.0100 1.638000 1.352000 
1 1 1  -11    1   33 o   8.4720   1.2050   10.400   1.3170   6.5390   2.0180 3.866000 2.410000 
1 1 1  -11    1   34 o   5.1150   1.1680   2.9640   1.4340   7.2650   1.8450 -4.301000 2.337000 
1 1 1  -11    1   35 o   10.990   0.8901   10.830   1.2410   11.140   1.2770 -0.3086000 1.780000 
1 1 1  -11    1   36 o   4.4460   1.4160   5.0270   2.1400   3.8660   1.8560 1.161000 2.832000 
1 1 1  -11    1   37 o   4.7900   1.4100   5.2340   2.0660   4.3460   1.9190 0.8874000 2.820000 
1 1 1  -11    1   38 o   2.5010   0.8917   2.7120   1.3550   2.2910   1.1600 0.4208000 1.783000 
1 1 1  -11    3    1 o   19.660   0.1884   19.620   0.2855   19.700   0.2457 -0.7736000E-01 0.3767000 
1 1 1  -11    3    2 o   63.210   0.4616   63.000   0.6509   63.430   0.6548 -0.4289000 0.9232000 
1 1 1  -11    3    3 o   37.470   0.2826   37.700   0.4011   37.240   0.3981 0.4594000 0.5652000 
1 1 1  -11    3    4 o   48.500   0.3113   48.720   0.4420   48.280   0.4384 0.4371000 0.6225000 
1 1 1  -11    3    5 o   67.720   0.5531   68.730   0.7108   66.700   0.8477 2.029000 1.106000 
1 1 1  -11    3    6 o  147.100   1.0690  146.600   1.5070  147.500   1.5170 -0.8507000 2.138000 
1 1 1  -11    3    7 o   61.580   0.3926   61.610   0.5554   61.540   0.5552 0.6290000E-01 0.7853000 
1 1 1  -11    3    8 o   31.580   0.2249   31.740   0.3189   31.410   0.3172 0.3272000 0.4499000 
1 1 1  -11    3    9 o   30.740   0.2261   30.580   0.3185   30.890   0.3210 -0.3119000 0.4522000 
1 1 1  -11    3   10 o   47.760   0.3622   47.590   0.5102   47.920   0.5141 -0.3315000 0.7243000 
1 1 1  -11    3   11 o   43.390   0.3374   43.750   0.4817   43.030   0.4726 0.7173000 0.6748000 
1 1 1  -11    3   12 o   38.910   0.2728   39.210   0.3876   38.610   0.3839 0.5993000 0.5456000 
1 1 1  -11    3   13 o   21.530   0.2527   21.770   0.3285   21.290   0.3840 0.4838000 0.5054000 
1 1 1  -11    3   14 o   48.710   0.3280   48.900   0.4653   48.510   0.4625 0.3934000 0.6560000 
1 1 1  -11    3   15 o   44.150   0.3091   44.060   0.4354   44.250   0.4389 -0.1920000 0.6182000 
1 1 1  -11    3   16 o   35.600   0.2882   35.720   0.4056   35.480   0.4095 0.2360000 0.5764000 
1 1 1  -11    3   17 o   63.500   0.4203   63.440   0.5939   63.550   0.5949 -0.1072000 0.8406000 
1 1 1  -11    3   18 o   77.130   0.5013   77.120   0.7091   77.140   0.7088 -0.2498000E-01 1.003000 
1 1 1  -11    3   19 f   57.490   0.4563   57.920   0.6506   57.060   0.6399 0.8657000 0.9126000 
1 1 1  -11    3   20 o   49.420   0.4168   49.770   0.5853   49.080   0.5937 0.6868000 0.8336000 
1 1 1  -11    3   21 o   33.010   0.3248   32.770   0.4527   33.250   0.4657 -0.4770000 0.6495000 
1 1 1  -11    3   22 o   32.230   0.3217   32.320   0.4516   32.130   0.4583 0.1916000 0.6434000 
1 1 1  -11    3   23 f   21.040   0.3790   21.360   0.5154   20.730   0.5559 0.6287000 0.7581000 
1 1 1  -11    3   24 o   16.840   0.5203   16.330   0.6874   17.340   0.7814 -1.013000 1.041000 
1 1 1  -11    3   25 o   39.490   0.3779   39.390   0.5406   39.590   0.5282 -0.2061000 0.7558000 
1 1 1  -11    3   26 o   12.460   0.5483   12.950   0.7351   11.970   0.8138 0.9858000 1.097000 
1 1 1  -11    3   27 f   19.560   0.3770   19.230   0.5302   19.880   0.5360 -0.6554000 0.7539000 
1 1 1  -11    3   28 o   4.9230   1.1180   3.9850   1.5670   5.8620   1.5940 -1.877000 2.235000 
1 1 1  -11    3   29 o   10.100   0.6972   10.070   0.9616   10.130   1.0100 -0.5135000E-01 1.394000 
1 1 1  -11    3   30 o   12.130   0.6090   12.350   0.8136   11.910   0.9065 0.4350000 1.218000 
1 1 1  -11    3   31 o   25.810   0.3641   26.070   0.5066   25.550   0.5232 0.5182000 0.7282000 
1 1 1  -11    3   32 o   4.7190   1.3870   4.3550   1.8710   5.0840   2.0490 -0.7291000 2.775000 
1 1 1  -11    3   33 o   14.520   0.7047   14.930   0.8951   14.110   1.0890 0.8202000 1.409000 
1 1 1  -11    3   34 o   4.6470   1.3100   4.9380   1.8830   4.3570   1.8210 0.5807000 2.620000 
1 1 1  -11    3   35 o   6.1280   1.3980   5.8930   1.9440   6.3630   2.0110 -0.4700000 2.797000 
1 1 1  -11    3   36 o   4.8780   1.4760   5.6920   2.2410   4.0630   1.9230 1.629000 2.953000 
1 1 1  -11    3   37 o   3.1610   1.0900   3.0450   1.5000   3.2760   1.5830 -0.2311000 2.180000 
1 1 1  -11    5    1 o   74.970   0.4742   74.890   0.6698   75.060   0.6714 -0.1707000 0.9484000 
1 1 1  -11    5    2 o   79.510   0.5025   79.160   0.7078   79.870   0.7136 -0.7148000 1.005000 
1 1 1  -11    5    3 o   48.440   0.3645   48.290   0.5142   48.590   0.5167 -0.2980000 0.7290000 
1 1 1  -11    5    4 o   90.210   0.6579   90.110   0.9292   90.310   0.9316 -0.1993000 1.316000 
1 1 1  -11    5    5 o   62.940   0.4652   62.770   0.6558   63.120   0.6599 -0.3434000 0.9304000 
1 1 1  -11    5    6 o   12.210   0.3042   11.030   0.4589   13.390   0.3996 -2.361000 0.6085000 
1 1 1  -11    5    7 o   37.790   0.2607   37.810   0.3686   37.780   0.3687 0.3564000E-01 0.5214000 
1 1 1  -11    5    8 o   30.440   0.2657   31.010   0.3782   29.860   0.3733 1.144000 0.5314000 
1 1 1  -11    5    9 o   27.240   0.2888   27.530   0.4494   26.960   0.3627 0.5707000 0.5775000 
1 1 1  -11    5   10 o   56.020   0.4223   56.010   0.5977   56.030   0.5969 -0.1138000E-01 0.8447000 
1 1 1  -11    5   11 o   53.550   0.4071   53.530   0.5763   53.580   0.5751 -0.5119000E-01 0.8142000 
1 1 1  -11    5   12 o   43.880   0.3008   43.520   0.4217   44.240   0.4291 -0.7197000 0.6016000 
1 1 1  -11    5   13 o   51.280   0.3430   51.290   0.4841   51.270   0.4861 0.2127000E-01 0.6861000 
1 1 1  -11    5   14 o   29.670   0.2582   29.500   0.3611   29.840   0.3692 -0.3406000 0.5165000 
1 1 1  -11    5   15 o   56.620   0.3783   56.470   0.5325   56.760   0.5376 -0.2848000 0.7567000 
1 1 1  -11    5   16 o   71.440   0.4650   71.300   0.6558   71.570   0.6594 -0.2716000 0.9300000 
1 1 1  -11    5   17 o   66.480   0.4384   66.610   0.6205   66.340   0.6195 0.2740000 0.8768000 
1 1 1  -11    5   18 o   40.590   0.4129   40.850   0.6296   40.320   0.5342 0.5296000 0.8257000 
1 1 1  -11    5   19 o   36.470   0.4831   35.470   0.7058   37.470   0.6600 -1.993000 0.9663000 
1 1 1  -11    5   20 o   13.940   0.6274   13.470   0.8717   14.420   0.9024 -0.9501000 1.255000 
1 1 1  -11    5   21 o   10.820   0.7139   10.840   0.9927   10.810   1.0260 0.2672000E-01 1.428000 
1 1 1  -11    5   22 o   39.690   0.3309   39.850   0.4649   39.520   0.4710 0.3313000 0.6618000 
1 1 1  -11    5   23 o   28.120   0.3885   28.640   0.5186   27.600   0.5786 1.039000 0.7770000 
1 1 1  -11    5   24 o   18.880   0.6070   19.310   0.8130   18.450   0.9016 0.8645000 1.214000 
1 1 1  -11    5   25 f   10.250   0.7969   10.400   1.1290   10.090   1.1250 0.3112000 1.594000 
1 1 1  -11    5   26 o   13.080   0.5285   12.380   0.7599   13.780   0.7346 -1.395000 1.057000 
1 1 1  -11    5   27 o   13.990   0.4990   14.080   0.6855   13.910   0.7253 0.1704000 0.9980000 
1 1 1  -11    5   28 o   14.020   0.5082   14.750   0.6701   13.280   0.7642 1.476000 1.016000 
1 1 1  -11    5   29 f   14.720   0.5007   14.890   0.6782   14.560   0.7368 0.3345000 1.001000 
1 1 1  -11    5   30 o   6.1920   1.1250   5.2120   1.6580   7.1730   1.5210 -1.961000 2.250000 
1 1 1  -11    5   31 o   6.0250   1.2200   5.5780   1.7610   6.4710   1.6870 -0.8932000 2.439000 
1 1 1  -11    5   32 o   9.0470   1.3020   10.280   1.5610   7.8110   2.0830 2.471000 2.604000 
1 1 1  -11    5   33 o   6.3540   1.2670   5.1580   1.8490   7.5500   1.7330 -2.391000 2.534000 
1 1 1  -11    5   34 o   4.3670   1.2450   5.2120   1.8810   3.5210   1.6320 1.690000 2.491000 
1 1 1  -11    5   35 o   9.9960   1.0240   11.280   1.2040   8.7090   1.6560 2.575000 2.047000 
1 1 1  -11    5   36 o   12.420   1.1640   12.590   1.5980   12.240   1.6920 0.3480000 2.327000 
1 1 1  -11    5   37 o   3.0140   1.0290   3.2900   1.5550   2.7370   1.3480 0.5531000 2.058000 
1 1 1  -11    7    1 o   40.260   0.2746   40.450   0.3896   40.070   0.3871 0.3760000 0.5492000 
1 1 1  -11    7    2 o   41.560   0.2811   41.520   0.3971   41.600   0.3980 -0.8556000E-01 0.5623000 
1 1 1  -11    7    3 o   80.560   0.5115   80.570   0.7233   80.550   0.7234 0.1830000E-01 1.023000 
1 1 1  -11    7    4 o   32.040   0.2427   32.840   0.3460   31.250   0.3403 1.590000 0.4854000 
1 1 1  -11    7    5 o   18.910   0.2728   18.550   0.3921   19.260   0.3795 -0.7079000 0.5457000 
1 1 1  -11    7    6 o   8.2420   0.5369   8.1520   0.7767   8.3320   0.7414 -0.1798000 1.074000 
1 1 1  -11    7    7 o   28.950   0.2720   28.800   0.3819   29.090   0.3873 -0.2960000 0.5440000 
1 1 1  -11    7    8 o   3.9730   0.8553   3.5160   1.2190   4.4300   1.2000 -0.9140000 1.711000 
1 1 1  -11    7    9 o   20.630   0.2874   20.660   0.4045   20.600   0.4084 0.6134000E-01 0.5748000 
1 1 1  -11    7   10 o   33.330   0.2979   33.140   0.4197   33.520   0.4228 -0.3778000 0.5957000 
1 1 1  -11    7   11 o   63.930   0.4154   64.060   0.5883   63.800   0.5866 0.2571000 0.8308000 
1 1 1  -11    7   12 o   44.440   0.3102   44.450   0.4376   44.430   0.4399 0.2622000E-01 0.6205000 
1 1 1  -11    7   13 o   55.010   0.3677   55.230   0.5214   54.790   0.5186 0.4377000 0.7354000 
1 1 1  -11    7   14 o   42.320   0.3104   42.700   0.4404   41.940   0.4376 0.7655000 0.6208000 
1 1 1  -11    7   15 o   38.810   0.3313   38.600   0.4284   39.030   0.5054 -0.4304000 0.6626000 
1 1 1  -11    7   16 o   85.330   0.5489   85.090   0.7736   85.570   0.7787 -0.4742000 1.098000 
1 1 1  -11    7   17 o   36.960   0.3693   37.070   0.5171   36.850   0.5274 0.2199000 0.7386000 
1 1 1  -11    7   18 o   29.530   0.3873   29.710   0.5415   29.350   0.5538 0.3635000 0.7746000 
1 1 1  -11    7   19 o   31.790   0.3683   31.440   0.5085   32.150   0.5328 -0.7111000 0.7365000 
1 1 1  -11    7   20 o   50.020   0.3694   50.010   0.5204   50.040   0.5246 -0.3144000E-01 0.7389000 
1 1 1  -11    7   21 o   25.080   0.3552   24.750   0.4909   25.400   0.5134 -0.6456000 0.7104000 
1 1 1  -11    7   22 o   22.850   0.3628   23.030   0.4928   22.670   0.5326 0.3557000 0.7256000 
1 1 1  -11    7   23 o   33.950   0.3690   34.110   0.5042   33.790   0.5388 0.3184000 0.7380000 
1 1 1  -11    7   24 o   10.560   0.7755   11.000   1.0590   10.120   1.1340 0.8865000 1.551000 
1 1 1  -11    7   25 o   26.330   0.3296   26.110   0.4596   26.550   0.4726 -0.4346000 0.6592000 
1 1 1  -11    7   26 o   9.7700   0.6919   9.0540   0.9984   10.490   0.9582 -1.432000 1.384000 
1 1 1  -11    7   27 o   10.240   0.6761   10.130   0.9196   10.350   0.9914 -0.2254000 1.352000 
1 1 1  -11    7   28 o   10.930   0.6542   11.170   0.8624   10.690   0.9840 0.4751000 1.308000 
1 1 1  -11    7   29 o   7.4790   1.0110   8.6220   1.1500   6.3360   1.6640 2.287000 2.023000 
1 1 1  -11    7   30 o   9.1030   0.8520   9.1640   1.1320   9.0420   1.2740 0.1228000 1.704000 
1 1 1  -11    7   31 f   5.0660   1.3310   4.5250   1.8300   5.6080   1.9350 -1.083000 2.663000 
1 1 1  -11    7   32 o   9.2040   1.1020   9.1520   1.4460   9.2550   1.6620 -0.1025000 2.203000 
1 1 1  -11    7   33 o   6.8220   1.2880   7.7000   1.7310   5.9430   1.9080 1.756000 2.576000 
1 1 1  -11    7   34 o   3.9310   1.2250   3.4050   1.5750   4.4570   1.8770 -1.052000 2.450000 
1 1 1  -11    7   35 o   4.8260   1.4100   4.3260   1.8790   5.3260   2.1020 -0.9999000 2.820000 
1 1 1  -11    7   36 o   6.7680   1.4400   8.1350   2.0030   5.4020   2.0700 2.733000 2.880000 
1 1 1  -11    7   37 o   2.9780   1.0190   3.2750   1.5480   2.6800   1.3240 0.5955000 2.037000 
1 1 1  -11    9    1 o   20.810   0.2439   20.650   0.3469   20.970   0.3430 -0.3230000 0.4879000 
1 1 1  -11    9    2 o   51.330   0.3392   51.120   0.4783   51.540   0.4811 -0.4236000 0.6784000 
1 1 1  -11    9    3 o   16.180   0.2815   15.770   0.4074   16.590   0.3887 -0.8173000 0.5631000 
1 1 1  -11    9    4 o   28.930   0.2461   28.990   0.3458   28.870   0.3503 0.1230000 0.4922000 
1 1 1  -11    9    5 o   30.870   0.2519   31.000   0.3568   30.740   0.3557 0.2618000 0.5038000 
1 1 1  -11    9    6 o   47.950   0.3253   48.130   0.4614   47.780   0.4586 0.3474000 0.6505000 
1 1 1  -11    9    7 o   39.570   0.3313   39.680   0.4693   39.460   0.4676 0.2140000 0.6625000 
1 1 1  -11    9    8 o   34.920   0.3148   35.140   0.4471   34.700   0.4431 0.4421000 0.6295000 
1 1 1  -11    9    9 f   55.750   0.3705   55.870   0.5247   55.620   0.5232 0.2520000 0.7409000 
1 1 1  -11    9   10 o   35.450   0.2778   35.580   0.3917   35.320   0.3941 0.2692000 0.5557000 
1 1 1  -11    9   11 o   83.880   0.5376   83.520   0.7571   84.230   0.7635 -0.7165000 1.075000 
1 1 1  -11    9   12 o   73.770   0.4779   73.880   0.6763   73.670   0.6754 0.2049000 0.9558000 
1 1 1  -11    9   13 o   75.090   0.4879   74.840   0.6879   75.350   0.6920 -0.5131000 0.9758000 
1 1 1  -11    9   14 o   31.420   0.2963   31.250   0.4166   31.580   0.4214 -0.3287000 0.5926000 
1 1 1  -11    9   15 o   13.180   0.5101   13.070   0.6981   13.300   0.7439 -0.2300000 1.020000 
1 1 1  -11    9   16 o   52.640   0.4351   52.960   0.6154   52.320   0.6152 0.6438000 0.8702000 
1 1 1  -11    9   17 o   41.060   0.3709   40.650   0.4823   41.460   0.5635 -0.8064000 0.7417000 
1 1 1  -11    9   18 o   33.200   0.3768   33.400   0.5188   32.990   0.5466 0.4142000 0.7536000 
1 1 1  -11    9   19 o   24.740   0.4049   24.720   0.5453   24.770   0.5988 -0.5001000E-01 0.8099000 
1 1 1  -11    9   20 o   79.000   0.5195   79.240   0.7362   78.750   0.7332 0.4906000 1.039000 
1 1 1  -11    9   21 o   18.320   0.4442   19.040   0.5816   17.600   0.6715 1.434000 0.8884000 
1 1 1  -11    9   22 o   15.560   0.5831   15.150   0.7545   15.970   0.8892 -0.8211000 1.166000 
1 1 1  -11    9   23 f   11.030   0.7683   11.420   1.0290   10.640   1.1410 0.7742000 1.537000 
1 1 1  -11    9   24 o   24.830   0.4023   24.890   0.5703   24.780   0.5674 0.1148000 0.8045000 
1 1 1  -11    9   25 o   16.880   0.4421   17.290   0.5770   16.480   0.6699 0.8110000 0.8841000 
1 1 1  -11    9   26 o   10.440   0.6597   10.400   0.9058   10.490   0.9594 -0.8842000E-01 1.319000 
1 1 1  -11    9   27 o   14.190   0.5092   14.380   0.6849   13.990   0.7538 0.3944000 1.018000 
1 1 1  -11    9   28 o   4.3950   1.1430   4.9930   1.6300   3.7970   1.6020 1.196000 2.286000 
1 1 1  -11    9   29 o   16.190   0.4913   15.410   0.6870   16.980   0.7026 -1.564000 0.9826000 
1 1 1  -11    9   30 o   12.300   0.7818   11.770   1.1450   12.840   1.0650 -1.075000 1.564000 
1 1 1  -11    9   31 f   2.9580   0.9949   3.4390   1.5570   2.4780   1.2380 0.9604000 1.990000 
1 1 1  -11    9   32 o   7.5370   1.3300   7.6480   1.7970   7.4260   1.9620 0.2222000 2.661000 
1 1 1  -11    9   33 o   7.7910   1.2350   9.0960   1.4690   6.4850   1.9860 2.611000 2.471000 
1 1 1  -11    9   34 o   3.7380   1.1910   3.2740   1.5340   4.2010   1.8220 -0.9264000 2.381000 
1 1 1  -11    9   35 o   4.0710   1.2990   4.2370   1.8640   3.9050   1.8110 0.3319000 2.599000 
1 1 1  -11    9   36 o   3.4780   1.1520   2.6370   1.3240   4.3190   1.8850 -1.681000 2.303000 
1 1 1  -11   11    1 o   28.660   0.2972   28.450   0.4171   28.870   0.4236 -0.4202000 0.5945000 
1 1 1  -11   11    2 o   9.5820   0.5985   10.620   0.7461   8.5470   0.9361 2.070000 1.197000 
1 1 1  -11   11    3 o   47.910   0.3779   47.770   0.5323   48.050   0.5365 -0.2808000 0.7558000 
1 1 1  -11   11    4 o   19.830   0.3343   18.930   0.4788   20.740   0.4668 -1.814000 0.6687000 
1 1 1  -11   11    5 o   18.390   0.3564   18.610   0.4894   18.180   0.5182 0.4330000 0.7128000 
1 1 1  -11   11    6 o   42.730   0.3311   43.080   0.4994   42.370   0.4350 0.7054000 0.6623000 
1 1 1  -11   11    7 o   14.330   0.3915   14.290   0.5494   14.370   0.5580 -0.8040000E-01 0.7830000 
1 1 1  -11   11    8 o   39.190   0.2980   38.750   0.4171   39.620   0.4257 -0.8722000 0.5960000 
1 1 1  -11   11    9 o   36.440   0.2939   36.390   0.4122   36.500   0.4190 -0.1066000 0.5878000 
1 1 1  -11   11   10 o   99.070   0.6317   99.040   0.8927   99.110   0.8939 -0.6965000E-01 1.263000 
1 1 1  -11   11   11 o   52.710   0.3661   52.430   0.5142   52.980   0.5213 -0.5579000 0.7322000 
1 1 1  -11   11   12 o  137.200   0.8692  136.800   1.2250  137.600   1.2330 -0.8564000 1.738000 
1 1 1  -11   11   13 o   72.840   0.4779   72.810   0.6750   72.870   0.6766 -0.6000000E-01 0.9557000 
1 1 1  -11   11   14 o   32.080   0.3814   32.290   0.5274   31.870   0.5511 0.4216000 0.7628000 
1 1 1  -11   11   15 o   44.690   0.4145   44.400   0.5824   44.990   0.5900 -0.5852000 0.8290000 
1 1 1  -11   11   16 o   48.740   0.3699   48.730   0.5196   48.750   0.5266 -0.2629000E-01 0.7398000 
1 1 1  -11   11   17 o   17.410   0.5319   17.740   0.6984   17.080   0.8023 0.6557000 1.064000 
1 1 1  -11   11   18 o   22.970   0.4350   22.350   0.5961   23.590   0.6337 -1.237000 0.8700000 
1 1 1  -11   11   19 o   34.240   0.3386   33.920   0.4690   34.550   0.4886 -0.6275000 0.6773000 
1 1 1  -11   11   20 o   21.240   0.4804   21.090   0.6428   21.400   0.7141 -0.3067000 0.9607000 
1 1 1  -11   11   21 o   12.520   0.6958   11.900   0.9391   13.150   1.0270 -1.243000 1.392000 
1 1 1  -11   11   22 o   25.990   0.3519   26.150   0.4823   25.840   0.5127 0.3157000 0.7039000 
1 1 1  -11   11   23 o   17.730   0.5015   17.960   0.6814   17.500   0.7359 0.4606000 1.003000 
1 1 1  -11   11   24 o   15.730   0.4704   15.610   0.6322   15.860   0.6968 -0.2510000 0.9409000 
1 1 1  -11   11   25 o   14.660   0.4983   14.770   0.6729   14.550   0.7350 0.2167000 0.9965000 
1 1 1  -11   11   26 o   12.550   0.5778   11.760   0.8185   13.330   0.8158 -1.575000 1.156000 
1 1 1  -11   11   27 o   21.380   0.3921   21.280   0.5323   21.480   0.5759 -0.2018000 0.7843000 
1 1 1  -11   11   28 o   15.180   0.5153   14.760   0.7047   15.610   0.7522 -0.8566000 1.031000 
1 1 1  -11   11   29 o   9.4310   1.0330   10.250   1.3120   8.6170   1.5960 1.629000 2.066000 
1 1 1  -11   11   30 o   4.0060   1.2360   3.5200   1.6200   4.4920   1.8670 -0.9714000 2.472000 
1 1 1  -11   11   31 o   4.1060   1.2350   4.6230   1.8190   3.5890   1.6720 1.034000 2.471000 
1 1 1  -11   11   32 o   5.2780   1.2850   3.9890   1.7180   6.5660   1.9120 -2.577000 2.571000 
1 1 1  -11   11   33 o   4.1980   1.2520   3.3400   1.5580   5.0570   1.9590 -1.717000 2.503000 
1 1 1  -11   11   34 o   7.7570   1.3980   8.9770   1.6890   6.5380   2.2270 2.439000 2.795000 
1 1 1  -11   11   35 o   3.8950   1.2380   4.7070   1.9640   3.0840   1.5080 1.623000 2.476000 
1 1 1  -11   11   36 o   2.4340   0.8641   2.4620   1.2340   2.4070   1.2090 0.5533000E-01 1.728000 
1 1 1  -11   13    1 f   69.330   0.4507   69.130   0.6356   69.520   0.6391 -0.3846000 0.9013000 
1 1 1  -11   13    2 o   41.000   0.3030   40.910   0.4273   41.100   0.4298 -0.1874000 0.6061000 
1 1 1  -11   13    3 o   71.250   0.4622   70.860   0.6503   71.630   0.6569 -0.7757000 0.9244000 
1 1 1  -11   13    4 o   12.420   0.4808   12.930   0.6347   11.910   0.7223 1.022000 0.9616000 
1 1 1  -11   13    5 o   6.1270   0.9723   7.3190   1.1670   4.9350   1.5560 2.384000 1.945000 
1 1 1  -11   13    6 o   23.180   0.3174   23.830   0.4314   22.540   0.4655 1.293000 0.6347000 
1 1 1  -11   13    7 o   53.400   0.3691   53.660   0.5222   53.140   0.5219 0.5203000 0.7383000 
1 1 1  -11   13    8 o   37.710   0.3135   37.550   0.4396   37.870   0.4471 -0.3169000 0.6270000 
1 1 1  -11   13    9 o  124.900   0.7925  123.800   1.1110  125.900   1.1310 -2.164000 1.585000 
1 1 1  -11   13   10 o   37.770   0.3198   38.040   0.4501   37.490   0.4544 0.5494000 0.6395000 
1 1 1  -11   13   11 o   45.480   0.3477   45.510   0.4889   45.440   0.4945 0.7026000E-01 0.6954000 
1 1 1  -11   13   12 o   23.670   0.4503   23.470   0.6255   23.880   0.6480 -0.4144000 0.9006000 
1 1 1  -11   13   13 o   89.740   0.6741   89.130   0.9466   90.340   0.9600 -1.210000 1.348000 
1 1 1  -11   13   14 o   47.130   0.3669   47.050   0.5149   47.200   0.5229 -0.1523000 0.7338000 
1 1 1  -11   13   15 o   61.250   0.4265   61.170   0.6001   61.330   0.6062 -0.1660000 0.8529000 
1 1 1  -11   13   16 o   30.780   0.3953   31.310   0.5377   30.240   0.5797 1.063000 0.7907000 
1 1 1  -11   13   17 o   7.3600   1.1410   6.9010   1.6300   7.8180   1.5960 -0.9169000 2.282000 
1 1 1  -11   13   18 o   18.850   0.4602   18.890   0.6171   18.800   0.6829 0.9499000E-01 0.9204000 
1 1 1  -11   13   19 o   26.810   0.4724   27.290   0.5564   26.330   0.7636 0.9564000 0.9449000 
1 1 1  -11   13   20 o   28.450   0.3485   28.710   0.4772   28.200   0.5080 0.5128000 0.6970000 
1 1 1  -11   13   21 o   21.390   0.3937   21.230   0.5268   21.540   0.5853 -0.3127000 0.7875000 
1 1 1  -11   13   22 o   21.070   0.4543   21.460   0.6238   20.670   0.6606 0.7854000 0.9086000 
1 1 1  -11   13   23 o   12.490   0.5747   12.210   0.7897   12.770   0.8352 -0.5592000 1.149000 
1 1 1  -11   13   24 o   19.740   0.4041   19.550   0.5458   19.930   0.5960 -0.3742000 0.8082000 
1 1 1  -11   13   25 f   28.280   0.3426   28.550   0.4637   28.010   0.5044 0.5397000 0.6851000 
1 1 1  -11   13   26 o   7.1690   1.0440   5.6500   1.6210   8.6880   1.3150 -3.039000 2.088000 
1 1 1  -11   13   27 o   7.5630   1.0610   8.9860   1.1840   6.1400   1.7610 2.845000 2.122000 
1 1 1  -11   13   28 f   8.9140   1.1250   8.9470   1.5680   8.8820   1.6140 0.6553000E-01 2.251000 
1 1 1  -11   13   29 o   10.880   1.1420   12.710   1.0930   9.0430   2.0060 3.664000 2.284000 
1 1 1  -11   13   30 o   9.9230   1.0740   11.180   1.1780   8.6640   1.7950 2.519000 2.147000 
1 1 1  -11   13   31 o   5.1090   1.3170   3.8540   1.7160   6.3630   1.9980 -2.509000 2.634000 
1 1 1  -11   13   32 o   3.0800   1.0440   3.4280   1.5870   2.7330   1.3560 0.6949000 2.087000 
1 1 1  -11   13   33 o   4.1920   1.4040   4.6140   2.1760   3.7700   1.7750 0.8438000 2.808000 
1 1 1  -11   13   34 o   2.7590   0.9700   2.6070   1.3220   2.9110   1.4200 -0.3043000 1.940000 
1 1 1  -11   13   35 o   2.4900   0.9007   2.8810   1.4440   2.0990   1.0770 0.7818000 1.801000 
1 1 1  -11   15    1 o   29.470   0.3046   28.990   0.4319   29.960   0.4295 -0.9716000 0.6091000 
1 1 1  -11   15    2 o   30.250   0.3028   30.230   0.4254   30.270   0.4310 -0.3910000E-01 0.6056000 
1 1 1  -11   15    3 o   30.360   0.3047   30.150   0.4285   30.580   0.4333 -0.4271000 0.6094000 
1 1 1  -11   15    4 o   53.310   0.3714   53.060   0.5228   53.570   0.5276 -0.5058000 0.7427000 
1 1 1  -11   15    5 o   37.800   0.3171   38.570   0.4439   37.030   0.4530 1.548000 0.6342000 
1 1 1  -11   15    6 o   33.350   0.3157   32.970   0.4384   33.730   0.4543 -0.7605000 0.6313000 
1 1 1  -11   15    7 o   42.750   0.3381   43.200   0.4726   42.310   0.4835 0.8937000 0.6762000 
1 1 1  -11   15    8 o   24.570   0.4299   24.460   0.5803   24.690   0.6345 -0.2389000 0.8598000 
1 1 1  -11   15    9 o   59.550   0.4800   60.020   0.6808   59.080   0.6767 0.9321000 0.9599000 
1 1 1  -11   15   10 o   19.070   0.5668   18.810   0.7806   19.330   0.8221 -0.5124000 1.134000 
1 1 1  -11   15   11 o   69.280   0.4678   68.830   0.6571   69.730   0.6661 -0.9017000 0.9356000 
1 1 1  -11   15   12 o   36.350   0.3581   36.340   0.5009   36.360   0.5120 -0.2184000E-01 0.7162000 
1 1 1  -11   15   13 o   49.250   0.3819   49.680   0.5382   48.820   0.5420 0.8616000 0.7639000 
1 1 1  -11   15   14 o   27.500   0.4146   27.570   0.5768   27.430   0.5957 0.1399000 0.8292000 
1 1 1  -11   15   15 f   22.520   0.4430   22.390   0.6346   22.650   0.6183 -0.2621000 0.8860000 
1 1 1  -11   15   16 o   32.750   0.3475   32.890   0.4848   32.600   0.4980 0.2913000 0.6950000 
1 1 1  -11   15   17 o   18.080   0.5671   17.820   0.7499   18.350   0.8509 -0.5284000 1.134000 
1 1 1  -11   15   18 o   22.160   0.4741   21.600   0.6314   22.710   0.7074 -1.103000 0.9482000 
1 1 1  -11   15   19 o   13.190   0.6049   12.720   0.8267   13.650   0.8832 -0.9258000 1.210000 
1 1 1  -11   15   20 o   40.580   0.4364   41.530   0.6650   39.630   0.5653 1.899000 0.8728000 
1 1 1  -11   15   21 f   23.720   0.4214   23.380   0.5884   24.050   0.6033 -0.6789000 0.8427000 
1 1 1  -11   15   22 o   3.3130   1.0320   3.7740   1.5570   2.8520   1.3540 0.9223000 2.063000 
1 1 1  -11   15   23 o   33.060   0.3343   32.960   0.4613   33.160   0.4839 -0.2041000 0.6685000 
1 1 1  -11   15   24 o   9.8320   0.7856   9.4920   1.0710   10.170   1.1490 -0.6801000 1.571000 
1 1 1  -11   15   25 o   18.000   0.4563   18.190   0.6192   17.800   0.6704 0.3930000 0.9127000 
1 1 1  -11   15   26 o   10.900   0.7272   10.700   1.0020   11.100   1.0550 -0.3969000 1.454000 
1 1 1  -11   15   27 o   3.9560   1.2130   3.0710   1.4820   4.8420   1.9200 -1.771000 2.426000 
1 1 1  -11   15   28 f   5.1630   1.2400   6.5250   1.8220   3.8020   1.6810 2.723000 2.479000 
1 1 1  -11   15   29 o   15.800   0.7502   15.540   1.1280   16.050   0.9890 -0.5073000 1.500000 
1 1 1  -11   15   30 o   3.7860   1.2500   3.4290   1.6600   4.1430   1.8700 -0.7138000 2.501000 
1 1 1  -11   15   31 o   3.9300   1.2740   4.4220   1.9680   3.4370   1.6170 0.9847000 2.547000 
1 1 1  -11   15   32 o   7.4020   1.6000   6.8260   2.4000   7.9780   2.1160 -1.152000 3.200000 
1 1 1  -11   15   33 o   3.8480   1.2040   3.3710   1.5720   4.3250   1.8230 -0.9539000 2.407000 
1 1 1  -11   15   34 o   2.4230   0.8689   2.4920   1.2580   2.3540   1.1990 0.1378000 1.738000 
1 1 1  -11   17    1 o   46.500   0.4087   46.190   0.5753   46.820   0.5806 -0.6353000 0.8173000 
1 1 1  -11   17    2 o   18.120   0.5377   17.740   0.7668   18.490   0.7539 -0.7526000 1.075000 
1 1 1  -11   17    3 o   44.480   0.4024   44.340   0.5663   44.630   0.5719 -0.2962000 0.8049000 
1 1 1  -11   17    4 o   19.390   0.5300   18.730   0.7691   20.060   0.7294 -1.338000 1.060000 
1 1 1  -11   17    5 f   36.830   0.3517   36.860   0.4839   36.800   0.5105 0.5964000E-01 0.7034000 
1 1 1  -11   17    6 o   29.840   0.3678   29.640   0.5062   30.040   0.5336 -0.4016000 0.7355000 
1 1 1  -11   17    7 o   28.810   0.4021   28.820   0.5951   28.810   0.5411 0.1532000E-01 0.8043000 
1 1 1  -11   17    8 o   52.750   0.3881   52.220   0.5414   53.280   0.5562 -1.065000 0.7762000 
1 1 1  -11   17    9 o   25.530   0.4006   25.870   0.5434   25.200   0.5887 0.6728000 0.8011000 
1 1 1  -11   17   10 o   47.010   0.3699   47.150   0.5121   46.860   0.5338 0.2929000 0.7398000 
1 1 1  -11   17   11 o   26.280   0.4366   26.420   0.5997   26.140   0.6348 0.2801000 0.8732000 
1 1 1  -11   17   12 o   41.900   0.4044   41.400   0.5634   42.400   0.5802 -0.9960000 0.8088000 
1 1 1  -11   17   13 o   21.220   0.4546   21.870   0.6073   20.560   0.6766 1.310000 0.9092000 
1 1 1  -11   17   14 o   21.670   0.5132   21.940   0.6749   21.400   0.7734 0.5351000 1.026000 
1 1 1  -11   17   15 o   11.440   0.8740   12.230   1.0340   10.660   1.4100 1.572000 1.748000 
1 1 1  -11   17   16 o   6.0680   1.2480   5.7310   1.7380   6.4060   1.7910 -0.6756000 2.496000 
1 1 1  -11   17   17 o   10.640   0.7603   11.020   0.9780   10.260   1.1640 0.7609000 1.521000 
1 1 1  -11   17   18 o   15.290   0.5355   15.500   0.7073   15.090   0.8043 0.4078000 1.071000 
1 1 1  -11   17   19 o   14.560   0.6216   15.440   0.8367   13.670   0.9196 1.769000 1.243000 
1 1 1  -11   17   20 o   15.070   0.5203   15.340   0.6970   14.800   0.7728 0.5444000 1.041000 
1 1 1  -11   17   21 o   12.530   0.6059   13.070   0.7763   11.980   0.9305 1.092000 1.212000 
1 1 1  -11   17   22 o   18.250   0.4463   18.210   0.6065   18.300   0.6550 -0.8193000E-01 0.8926000 
1 1 1  -11   17   23 o   13.190   0.6026   12.650   0.8596   13.730   0.8447 -1.084000 1.205000 
1 1 1  -11   17   24 o   14.920   0.6341   15.210   0.9509   14.620   0.8390 0.5942000 1.268000 
1 1 1  -11   17   25 o   8.9670   1.4680   8.4270   2.4730   9.5070   1.5850 -1.080000 2.937000 
1 1 1  -11   17   26 o   6.5900   1.5540   5.7180   2.4440   7.4620   1.9210 -1.744000 3.109000 
1 1 1  -11   17   27 o   12.510   0.8594   11.350   1.4040   13.680   0.9919 -2.325000 1.719000 
1 1 1  -11   17   28 o   13.850   0.7678   13.540   1.0440   14.170   1.1270 -0.6319000 1.536000 
1 1 1  -11   17   29 f   13.700   0.8051   13.780   1.0420   13.630   1.2280 0.1516000 1.610000 
1 1 1  -11   17   30 o   11.280   1.0240   12.160   1.1040   10.390   1.7250 1.764000 2.048000 
1 1 1  -11   17   31 o   4.9160   1.4130   4.5230   1.8820   5.3090   2.1090 -0.7864000 2.826000 
1 1 1  -11   17   32 o   3.1480   1.0610   2.8800   1.3990   3.4160   1.5960 -0.5359000 2.123000 
1 1 1  -11   17   33 o   3.2430   1.0990   3.5800   1.6620   2.9050   1.4380 0.6752000 2.197000 
1 1 1  -11   19    1 o   17.330   0.5682   16.670   0.7793   17.980   0.8272 -1.304000 1.136000 
1 1 1  -11   19    2 o   32.680   0.3823   33.010   0.5015   32.340   0.5772 0.6624000 0.7646000 
1 1 1  -11   19    3 f   58.700   0.4790   58.300   0.6774   59.090   0.6775 -0.7899000 0.9580000 
1 1 1  -11   19    4 o   41.440   0.4096   41.350   0.5844   41.520   0.5741 -0.1722000 0.8192000 
1 1 1  -11   19    5 o   37.050   0.4655   36.210   0.5827   37.890   0.7261 -1.677000 0.9310000 
1 1 1  -11   19    6 o   43.090   0.4685   42.260   0.5835   43.920   0.7331 -1.655000 0.9370000 
1 1 1  -11   19    7 o   15.230   0.7029   15.060   0.9797   15.400   1.0080 -0.3426000 1.406000 
1 1 1  -11   19    8 o   53.510   0.4538   53.020   0.6350   54.000   0.6485 -0.9827000 0.9076000 
1 1 1  -11   19    9 o   31.540   0.3631   31.110   0.4968   31.980   0.5296 -0.8679000 0.7262000 
1 1 1  -11   19   10 o   25.620   0.4501   26.210   0.5864   25.030   0.6829 1.178000 0.9001000 
1 1 1  -11   19   11 o   13.780   0.7233   12.790   1.0100   14.770   1.0360 -1.978000 1.447000 
1 1 1  -11   19   12 o   26.030   0.4798   25.420   0.6999   26.630   0.6565 -1.205000 0.9596000 
1 1 1  -11   19   13 o   27.850   0.3745   27.380   0.5219   28.330   0.5374 -0.9414000 0.7491000 
1 1 1  -11   19   14 o   14.330   0.5965   14.940   0.7692   13.730   0.9120 1.218000 1.193000 
1 1 1  -11   19   15 o   14.180   0.5858   13.530   0.8247   14.840   0.8322 -1.305000 1.172000 
1 1 1  -11   19   16 o   28.050   0.4151   27.780   0.5911   28.310   0.5828 -0.5287000 0.8301000 
1 1 1  -11   19   17 o   6.6430   1.2610   6.9630   1.7250   6.3240   1.8390 0.6399000 2.521000 
1 1 1  -11   19   18 o   26.010   0.4198   25.100   0.6517   26.920   0.5293 -1.819000 0.8396000 
1 1 1  -11   19   19 o   8.5920   1.0440   8.0410   1.6620   9.1440   1.2620 -1.103000 2.087000 
1 1 1  -11   19   20 o   19.660   0.5007   19.490   0.7768   19.830   0.6321 -0.3470000 1.001000 
1 1 1  -11   19   21 o   19.570   0.4894   19.270   0.7435   19.870   0.6365 -0.6019000 0.9788000 
1 1 1  -11   19   22 o   8.3570   1.1150   8.1670   1.7520   8.5460   1.3790 -0.3791000 2.230000 
1 1 1  -11   19   23 o   5.4230   1.2840   5.7050   1.7710   5.1400   1.8610 0.5651000 2.569000 
1 1 1  -11   19   24 o   7.8930   1.3720   6.9490   2.0930   8.8380   1.7740 -1.889000 2.744000 
1 1 1  -11   19   25 o   6.1540   1.2820   5.9450   1.7770   6.3630   1.8470 -0.4174000 2.563000 
1 1 1  -11   19   26 o   8.2560   1.1390   9.2680   1.2950   7.2430   1.8730 2.025000 2.277000 
1 1 1  -11   19   27 o   5.2910   1.3460   3.9040   1.7120   6.6780   2.0780 -2.774000 2.693000 
1 1 1  -11   19   28 o   5.5830   1.2970   6.8590   1.8570   4.3070   1.8100 2.551000 2.593000 
1 1 1  -11   19   29 f   9.2310   1.2680   8.8520   1.7810   9.6090   1.8050 -0.7566000 2.536000 
1 1 1  -11   19   30 o   3.6330   1.1430   4.4340   1.8100   2.8330   1.3950 1.601000 2.285000 
1 1 1  -11   19   31 o   4.8450   1.2650   5.9160   1.8810   3.7740   1.6910 2.143000 2.529000 
1 1 1  -11   19   32 o   2.8840   1.0180   2.8200   1.3960   2.9490   1.4830 -0.1288000 2.036000 
1 1 1  -11   21    1 o   53.290   0.4493   53.210   0.6297   53.360   0.6410 -0.1496000 0.8985000 
1 1 1  -11   21    2 o   37.090   0.3957   36.890   0.5485   37.290   0.5703 -0.4076000 0.7913000 
1 1 1  -11   21    3 o   18.050   0.5468   17.700   0.7540   18.400   0.7922 -0.6993000 1.094000 
1 1 1  -11   21    4 o   27.710   0.4166   27.950   0.5724   27.470   0.6054 0.4825000 0.8332000 
1 1 1  -11   21    5 o   28.210   0.4321   29.050   0.5609   27.370   0.6574 1.683000 0.8642000 
1 1 1  -11   21    6 o   42.590   0.4130   42.180   0.5594   42.990   0.6077 -0.8101000 0.8260000 
1 1 1  -11   21    7 f   21.050   0.5062   21.240   0.6537   20.870   0.7730 0.3610000 1.012000 
1 1 1  -11   21    8 o   5.5070   1.1420   7.3230   1.5790   3.6910   1.6500 3.631000 2.284000 
1 1 1  -11   21    9 o   13.860   0.6303   15.450   0.7410   12.260   1.0200 3.189000 1.261000 
1 1 1  -11   21   10 o   9.8640   0.8609   10.440   1.0610   9.2870   1.3560 1.155000 1.722000 
1 1 1  -11   21   11 o   16.940   0.4915   16.610   0.6689   17.270   0.7203 -0.6592000 0.9830000 
1 1 1  -11   21   12 o   11.730   0.8027   11.520   1.2400   11.930   1.0200 -0.4135000 1.605000 
1 1 1  -11   21   13 o   17.520   0.5837   16.850   0.8803   18.180   0.7666 -1.330000 1.167000 
1 1 1  -11   21   14 o   6.1450   1.3510   6.3700   1.9320   5.9200   1.8900 0.4504000 2.702000 
1 1 1  -11   21   15 o   31.040   0.4352   31.100   0.6569   30.970   0.5711 0.1252000 0.8705000 
1 1 1  -11   21   16 o   12.370   0.7724   12.010   1.2070   12.740   0.9644 -0.7269000 1.545000 
1 1 1  -11   21   17 o   9.9000   0.9013   9.2090   1.4210   10.590   1.1100 -1.383000 1.803000 
1 1 1  -11   21   18 o   16.670   0.5148   16.640   0.7035   16.700   0.7517 -0.5636000E-01 1.030000 
1 1 1  -11   21   19 o   7.9020   1.0550   9.6710   1.1300   6.1330   1.7810 3.537000 2.109000 
1 1 1  -11   21   20 o   21.310   0.4344   21.340   0.5983   21.290   0.6301 0.5299000E-01 0.8689000 
1 1 1  -11   21   21 o   5.3880   1.3610   4.1610   1.8310   6.6160   2.0130 -2.454000 2.722000 
1 1 1  -11   21   22 o   18.190   0.6310   18.210   0.8810   18.180   0.9037 0.2641000E-01 1.262000 
1 1 1  -11   21   23 o   3.2570   1.0560   3.8790   1.6620   2.6340   1.3040 1.246000 2.113000 
1 1 1  -11   21   24 o   13.570   0.6929   12.630   1.0110   14.520   0.9473 -1.886000 1.386000 
1 1 1  -11   21   25 o   5.1400   1.3960   5.0580   1.9090   5.2210   2.0380 -0.1625000 2.793000 
1 1 1  -11   21   26 o   4.3050   1.2570   5.2780   1.9460   3.3320   1.5920 1.945000 2.514000 
1 1 1  -11   21   27 f   6.5510   1.2560   8.8790   1.6820   4.2220   1.8660 4.656000 2.512000 
1 1 1  -11   21   28 o   5.2770   1.3460   6.6340   2.0090   3.9200   1.7910 2.714000 2.692000 
1 1 1  -11   21   29 o   3.7720   1.1820   3.3480   1.5530   4.1950   1.7810 -0.8475000 2.363000 
1 1 1  -11   21   30 o   3.5960   1.1530   3.8000   1.6810   3.3920   1.5790 0.4080000 2.307000 
1 1 1  -11   23    1 o   35.840   0.3366   36.120   0.4746   35.560   0.4775 0.5696000 0.6732000 
1 1 1  -11   23    2 o   12.780   0.6290   13.690   0.8195   11.880   0.9546 1.805000 1.258000 
1 1 1  -11   23    3 o   12.560   0.6379   13.370   0.8400   11.750   0.9602 1.614000 1.276000 
1 1 1  -11   23    4 o   24.370   0.4152   23.340   0.6482   25.410   0.5189 -2.072000 0.8303000 
1 1 1  -11   23    5 o   17.120   0.6077   17.480   0.9479   16.760   0.7609 0.7159000 1.215000 
1 1 1  -11   23    6 o   16.520   0.6190   16.860   0.9668   16.190   0.7733 0.6725000 1.238000 
1 1 1  -11   23    7 o   4.1130   1.2580   4.3390   1.8740   3.8860   1.6790 0.4525000 2.516000 
1 1 1  -11   23    8 o   7.0110   1.3520   7.9680   1.9060   6.0530   1.9170 1.915000 2.703000 
1 1 1  -11   23    9 o   16.250   0.6314   15.800   0.9630   16.700   0.8170 -0.9012000 1.263000 
1 1 1  -11   23   10 o   15.330   0.6756   13.900   1.0830   16.750   0.8077 -2.855000 1.351000 
1 1 1  -11   23   11 o   11.320   0.7911   11.450   1.0460   11.200   1.1870 0.2485000 1.582000 
1 1 1  -11   23   12 o   17.550   0.4819   18.050   0.6159   17.040   0.7413 1.009000 0.9637000 
1 1 1  -11   23   13 o   6.8030   1.1480   6.4830   1.5970   7.1230   1.6500 -0.6394000 2.296000 
1 1 1  -11   23   14 o   9.3110   0.8669   9.1110   1.2060   9.5120   1.2450 -0.4010000 1.734000 
1 1 1  -11   23   15 o   7.2830   1.0970   7.0500   1.4920   7.5160   1.6080 -0.4655000 2.193000 
1 1 1  -11   23   16 o   5.3240   1.1820   3.7920   1.6220   6.8570   1.7210 -3.065000 2.365000 
1 1 1  -11   23   17 o   4.9960   1.2820   4.1610   1.7030   5.8300   1.9150 -1.669000 2.563000 
1 1 1  -11   23   18 o   15.540   0.5884   16.150   0.7723   14.930   0.8879 1.219000 1.177000 
1 1 1  -11   23   19 o   5.6240   1.4890   5.3870   2.0810   5.8620   2.1300 -0.4753000 2.978000 
1 1 1  -11   23   20 o   6.0390   1.4750   6.8820   2.1070   5.1970   2.0650 1.685000 2.951000 
1 1 1  -11   23   21 o   14.060   0.6523   13.710   0.9255   14.410   0.9195 -0.6948000 1.305000 
1 1 1  -11   23   22 f   5.7730   1.3560   5.6660   1.8630   5.8790   1.9720 -0.2128000 2.713000 
1 1 1  -11   23   23 o   5.2170   1.2310   2.8580   1.3890   7.5770   2.0320 -4.719000 2.461000 
1 1 1  -11   23   24 o   4.6500   1.3210   5.6750   2.0090   3.6250   1.7150 2.050000 2.641000 
1 1 1  -11   23   25 o   5.5350   1.4010   6.6410   2.0020   4.4290   1.9600 2.212000 2.801000 
1 1 1  -11   23   26 o   3.8160   1.2410   3.5690   1.6730   4.0630   1.8320 -0.4942000 2.481000 
1 1 1  -11   23   27 o   3.2320   1.0670   3.7000   1.6450   2.7640   1.3590 0.9368000 2.134000 
1 1 1  -11   23   28 o   3.2510   1.0520   4.1300   1.7310   2.3720   1.1940 1.758000 2.103000 
1 1 1  -11   25    1 o   28.780   0.4304   29.100   0.7001   28.450   0.5009 0.6455000 0.8608000 
1 1 1  -11   25    2 o   17.590   0.5662   18.480   0.8965   16.690   0.6918 1.797000 1.132000 
1 1 1  -11   25    3 o   20.960   0.4149   20.590   0.6000   21.330   0.5731 -0.7477000 0.8298000 
1 1 1  -11   25    4 o   7.1560   1.0870   8.2650   1.3490   6.0470   1.7050 2.218000 2.174000 
1 1 1  -11   25    5 o   8.7590   0.9472   7.9070   1.4230   9.6100   1.2500 -1.703000 1.894000 
1 1 1  -11   25    6 o   9.4820   0.8676   9.0970   1.2320   9.8660   1.2220 -0.7697000 1.735000 
1 1 1  -11   25    7 o   25.670   0.3738   25.730   0.5081   25.610   0.5484 0.1216000 0.7476000 
1 1 1  -11   25    8 o   14.270   0.5875   13.630   0.8223   14.920   0.8392 -1.289000 1.175000 
1 1 1  -11   25    9 o   17.820   0.4819   16.980   0.6773   18.660   0.6858 -1.676000 0.9639000 
1 1 1  -11   25   10 f   14.950   0.5581   14.850   0.7418   15.050   0.8341 -0.1937000 1.116000 
1 1 1  -11   25   11 o   17.250   0.4947   17.320   0.6586   17.180   0.7384 0.1368000 0.9895000 
1 1 1  -11   25   12 o   19.500   0.4614   19.310   0.6141   19.690   0.6887 -0.3786000 0.9227000 
1 1 1  -11   25   13 o   15.970   0.5530   16.200   0.7154   15.740   0.8434 0.4576000 1.106000 
1 1 1  -11   25   14 f   8.8400   1.0160   9.9710   1.1380   7.7100   1.6840 2.261000 2.033000 
1 1 1  -11   25   15 f   12.560   0.8690   11.840   1.2420   13.280   1.2150 -1.445000 1.738000 
1 1 1  -11   25   16 o   14.950   0.7407   14.430   1.0110   15.480   1.0830 -1.048000 1.481000 
1 1 1  -11   25   17 o   4.3190   1.3130   3.8530   1.7380   4.7860   1.9680 -0.9335000 2.625000 
1 1 1  -11   25   18 o   3.9480   1.1800   2.9900   1.4280   4.9060   1.8780 -1.916000 2.360000 
1 1 1  -11   25   19 o   5.9630   1.3620   5.7240   1.9100   6.2020   1.9430 -0.4779000 2.725000 
1 1 1  -11   25   20 o   5.9530   1.3650   5.6420   1.9040   6.2630   1.9570 -0.6208000 2.731000 
1 1 1  -11   25   21 o   11.630   0.9855   12.930   1.1170   10.320   1.6240 2.610000 1.971000 
1 1 1  -11   25   22 o   9.8940   1.1490   8.9820   1.7450   10.810   1.4950 -1.823000 2.298000 
1 1 1  -11   25   23 o   2.9820   1.0370   2.8080   1.3890   3.1570   1.5410 -0.3486000 2.075000 
1 1 1  -11   25   24 o   2.9710   1.0310   3.1530   1.5200   2.7890   1.3930 0.3639000 2.061000 
1 1 1  -11   25   25 o   2.3560   0.8398   2.5030   1.2490   2.2090   1.1230 0.2939000 1.680000 
1 1 1  -11   25   26 o   2.1380   0.7732   2.3020   1.1690   1.9730   1.0120 0.3285000 1.546000 
1 1 1  -11   27    1 o   17.070   0.5003   16.870   0.7149   17.280   0.7001 -0.4105000 1.001000 
1 1 1  -11   27    2 o   12.730   0.6433   12.480   0.9261   12.980   0.8932 -0.4990000 1.287000 
1 1 1  -11   27    3 o   14.190   0.5824   14.130   0.8232   14.240   0.8241 -0.1144000 1.165000 
1 1 1  -11   27    4 o   18.130   0.4706   18.980   0.6343   17.280   0.6953 1.697000 0.9411000 
1 1 1  -11   27    5 o   16.130   0.5337   16.460   0.7114   15.800   0.7959 0.6606000 1.067000 
1 1 1  -11   27    6 o   9.5470   0.9673   11.270   1.0100   7.8210   1.6500 3.452000 1.935000 
1 1 1  -11   27    7 o   3.3270   1.0680   3.8540   1.6420   2.8010   1.3670 1.054000 2.136000 
1 1 1  -11   27    8 o   6.2730   1.2770   6.3410   1.7260   6.2050   1.8820 0.1362000 2.554000 
1 1 1  -11   27    9 o   4.7990   1.2360   5.6440   1.7850   3.9530   1.7110 1.691000 2.473000 
1 1 1  -11   27   10 o   18.720   0.4994   18.960   0.6722   18.490   0.7389 0.4642000 0.9989000 
1 1 1  -11   27   11 o   7.3980   1.3370   8.6040   1.7040   6.1930   2.0610 2.411000 2.674000 
1 1 1  -11   27   12 o   7.2100   1.3960   7.8570   1.8730   6.5630   2.0710 1.294000 2.792000 
1 1 1  -11   27   13 o   10.770   0.9869   10.360   1.4180   11.190   1.3730 -0.8274000 1.974000 
1 1 1  -11   27   14 o   9.3870   0.9398   8.9750   1.3490   9.7990   1.3090 -0.8243000 1.880000 
1 1 1  -11   27   15 o   8.2260   1.1010   8.6260   1.4370   7.8260   1.6690 0.8002000 2.203000 
1 1 1  -11   27   16 o   12.670   0.7570   13.520   0.9628   11.830   1.1680 1.693000 1.514000 
1 1 1  -11   27   17 o   4.7080   1.3230   4.7990   1.8550   4.6170   1.8870 0.1815000 2.646000 
1 1 1  -11   27   18 o   6.0970   1.3970   7.1730   1.9300   5.0220   2.0200 2.151000 2.794000 
1 1 1  -11   27   19 o   4.1700   1.2910   4.6170   1.9140   3.7240   1.7330 0.8923000 2.582000 
1 1 1  -11   27   20 o   2.8360   0.9954   2.8490   1.4080   2.8230   1.4070 0.2685000E-01 1.991000 
1 1 1  -11   27   21 o   2.7430   0.9651   2.9830   1.4560   2.5040   1.2670 0.4796000 1.930000 
1 1 1  -11   27   22 o   2.3250   0.8315   2.1420   1.0890   2.5080   1.2570 -0.3660000 1.663000 
1 1 1  -11   27   23 o   4.5100   1.2680   3.6360   1.6400   5.3850   1.9350 -1.749000 2.536000 
1 1 1  -11   27   24 o   2.9100   0.9986   2.7660   1.3540   3.0540   1.4680 -0.2873000 1.997000 
1 1 1  -11   29    1 o   8.3050   1.2890   6.0090   1.9760   10.600   1.6540 -4.593000 2.577000 
1 1 1  -11   29    2 o   4.2870   1.2710   4.9200   1.9200   3.6530   1.6660 1.266000 2.542000 
1 1 1  -11   29    3 o   9.9640   0.9996   10.050   1.4010   9.8770   1.4260 0.1740000 1.999000 
1 1 1  -11   29    4 o   8.6590   1.3150   8.4050   1.6830   8.9120   2.0220 -0.5072000 2.630000 
1 1 1  -11   29    5 o   7.4990   1.3170   8.6530   1.6610   6.3450   2.0440 2.308000 2.634000 
1 1 1  -11   29    6 o   15.950   0.6717   16.110   0.9134   15.790   0.9851 0.3147000 1.343000 
1 1 1  -11   29    7 o   6.4690   1.2860   7.2820   1.6870   5.6550   1.9410 1.627000 2.572000 
1 1 1  -11   29    8 o   12.050   0.7647   11.900   1.0410   12.200   1.1200 -0.2969000 1.529000 
1 1 1  -11   29    9 o   12.780   0.7151   12.430   1.0040   13.120   1.0190 -0.6951000 1.430000 
1 1 1  -11   29   10 o   4.2930   1.2330   3.3920   1.5550   5.1940   1.9150 -1.803000 2.466000 
1 1 1  -11   29   11 o   3.8560   1.1970   3.5320   1.5970   4.1800   1.7830 -0.6485000 2.393000 
1 1 1  -11   29   12 o   4.4160   1.1400   2.5510   1.2670   6.2800   1.8960 -3.729000 2.280000 
1 1 1  -11   29   13 o   4.6990   1.3060   4.6630   1.8300   4.7360   1.8640 -0.7297000E-01 2.612000 
1 1 1  -11   29   14 o   3.4690   1.1490   2.8790   1.4150   4.0580   1.8110 -1.179000 2.298000 
1 1 1  -11   29   15 o   5.1600   1.3560   6.3690   2.0230   3.9500   1.8050 2.419000 2.711000 
1 1 1  -11   29   16 o   4.1660   1.3550   4.0450   1.8500   4.2880   1.9800 -0.2431000 2.709000 
1 1 1  -11   29   17 o   3.8580   1.2400   3.1120   1.5060   4.6040   1.9700 -1.493000 2.480000 
1 1 1  -11   29   18 o   9.8190   1.1640   11.500   1.3180   8.1400   1.9200 3.356000 2.329000 
1 1 1  -11   29   19 f   3.8020   1.1950   3.6900   1.6550   3.9150   1.7240 -0.2257000 2.390000 
1 1 1  -11   29   20 o   4.5050   1.2840   4.3820   1.7830   4.6280   1.8490 -0.2461000 2.568000 
1 1 1  -11   29   21 o   2.8420   0.9751   2.5200   1.2480   3.1630   1.4990 -0.6432000 1.950000 
1 1 1  -11   31    1 o   7.3670   1.2440   7.6600   1.6940   7.0740   1.8210 0.5865000 2.487000 
1 1 1  -11   31    2 o   4.5940   1.2630   3.6140   1.6350   5.5740   1.9250 -1.961000 2.526000 
1 1 1  -11   31    3 o   5.8500   1.2920   6.9930   1.7920   4.7060   1.8620 2.287000 2.584000 
1 1 1  -11   31    4 o   11.660   0.8116   12.350   1.0440   10.960   1.2430 1.388000 1.623000 
1 1 1  -11   31    5 o   11.260   0.8529   10.110   1.2950   12.410   1.1110 -2.293000 1.706000 
1 1 1  -11   31    6 o   14.050   0.8966   15.300   1.2620   12.790   1.2740 2.518000 1.793000 
1 1 1  -11   31    7 o   11.150   1.0130   10.520   1.4450   11.770   1.4200 -1.247000 2.026000 
1 1 1  -11   31    8 o   16.060   0.8272   15.060   1.0260   17.060   1.2980 -2.002000 1.654000 
1 1 1  -11   31    9 o   5.5710   1.4030   6.5280   1.9910   4.6150   1.9760 1.913000 2.805000 
1 1 1  -11   31   10 o   4.0530   1.2510   4.7830   1.9260   3.3230   1.5950 1.460000 2.501000 
1 1 1  -11   31   11 o   5.5020   1.5220   5.6300   2.1330   5.3730   2.1720 0.2575000 3.044000 
1 1 1  -11   31   12 o   7.0500   1.3210   8.6470   1.6690   5.4530   2.0470 3.194000 2.641000 
1 1 1  -11   31   13 o   3.6100   1.1680   4.1240   1.7830   3.0950   1.5090 1.029000 2.335000 
1 1 1  -11   31   14 o   4.7440   1.3100   4.8520   1.8500   4.6370   1.8540 0.2148000 2.619000 
1 1 1  -11   31   15 o   3.2760   1.0770   2.7690   1.3520   3.7840   1.6770 -1.015000 2.155000 
1 1 1  -11   31   16 o   4.3790   1.2130   5.5010   1.8830   3.2570   1.5290 2.244000 2.425000 
1 1 1  -11   31   17 o   2.7270   0.9454   2.3480   1.1760   3.1050   1.4800 -0.7570000 1.891000 
1 1 1  -11   31   18 o   1.8830   0.9804  ?   ?    1.8830   0.9804      ?      ? 
1 1 1  -11   33    1 o   2.7590   0.9686   3.1390   1.5140   2.3790   1.2090 0.7604000 1.937000 
1 1 1  -11   33    2 o   4.8150   1.2950   6.2050   2.0150   3.4250   1.6290 2.780000 2.591000 
1 1 1  -11   33    3 o   2.9810   1.0310   3.0570   1.4820   2.9040   1.4330 0.1530000 2.061000 
1 1 1  -11   33    4 o   5.4550   1.4200   5.5000   1.9870   5.4110   2.0280 0.8907000E-01 2.839000 
1 1 1  -11   33    5 o   5.1360   1.3400   6.2150   1.9890   4.0580   1.7950 2.157000 2.680000 
1 1 1  -11   33    6 o   3.5720   1.1720   3.5280   1.6380   3.6150   1.6760 -0.8731000E-01 2.343000 
1 1 1  -11   33    7 o   3.9910   1.1860   3.0390   1.4530   4.9430   1.8760 -1.905000 2.373000 
1 1 1  -11   33    8 o   2.9810   1.0120   3.2210   1.5120   2.7410   1.3450 0.4808000 2.024000 
1 1 1  -11   33    9 o   4.6160   1.2460   5.5680   1.8720   3.6640   1.6450 1.904000 2.492000 
1 1 1  -11   33   10 o   3.5190   1.1300   3.6180   1.6170   3.4200   1.5780 0.1977000 2.260000 
1 1 1  -11   33   11 f   2.1890   0.7836   2.3410   1.1730   2.0380   1.0390 0.3032000 1.567000 
1 1 1  -11   33   12 o   2.3560   0.8385   1.9730   1.0070   2.7380   1.3410 -0.7645000 1.677000 
1 1 1  -10    0    1 o   65.690   0.5849   65.690   0.5849   65.690   0.5849 -0.000000 0.000000 
1 1 1  -10    0    2 o  106.900   0.9490  106.900   0.9490  106.900   0.9490 -0.000000 0.000000 
1 1 1  -10    0    3 o   35.370   0.3207   35.370   0.3207   35.370   0.3207 -0.000000 0.000000 
1 1 1  -10    0    4 o   65.830   0.5865   65.830   0.5865   65.830   0.5865 -0.000000 0.000000 
1 1 1  -10    0    5 o  112.200   1.4100  112.200   1.4100  112.200   1.4100 -0.000000 0.000000 
1 1 1  -10    0    6 o   52.470   0.6682   52.470   0.6682   52.470   0.6682 -0.000000 0.000000 
1 1 1  -10    0    7 o  104.700   0.9310  104.700   0.9310  104.700   0.9310 -0.000000 0.000000 
1 1 1  -10    0    8 o   54.090   0.4896   54.090   0.4896   54.090   0.4896 -0.000000 0.000000 
1 1 1  -10    0    9 o   90.970   0.8123   90.970   0.8123   90.970   0.8123 -0.000000 0.000000 
1 1 1  -10    0   10 f   95.900   0.8561   95.900   0.8561   95.900   0.8561 -0.000000 0.000000 
1 1 1  -10    0   11 o   3.7210   1.5610   3.7210   1.5610   3.7210   1.5610 -0.000000 0.000000 
1 1 1  -10    0   12 o   13.910   0.3761   13.910   0.3761   13.910   0.3761 0.000000 0.000000 
1 1 1  -10    0   13 o   72.160   0.6524   72.160   0.6524   72.160   0.6524 0.000000 0.000000 
1 1 1  -10    0   14 o   33.080   0.3578   33.080   0.3578   33.080   0.3578 -0.000000 0.000000 
1 1 1  -10    0   15 o   50.720   0.4822   50.720   0.4822   50.720   0.4822 -0.000000 0.000000 
1 1 1  -10    0   16 o   59.930   0.5597   59.930   0.5597   59.930   0.5597 0.000000 0.000000 
1 1 1  -10    0   17 o   42.460   0.4441   42.460   0.4441   42.460   0.4441 -0.000000 0.000000 
1 1 1  -10    0   18 o   56.460   0.5418   56.460   0.5418   56.460   0.5418 0.000000 0.000000 
1 1 1  -10    0   19 o   10.450   0.9798   10.450   0.9798   10.450   0.9798 0.000000 0.000000 
1 1 1  -10    0   21 o   6.5940   1.8660   6.5940   1.8660   6.5940   1.8660 0.000000 0.000000 
1 1 1  -10    0   22 o   3.7020   1.9790   3.7020   1.9790   3.7020   1.9790 -0.000000 0.000000 
1 1 1  -10    0   23 o   26.680   0.4766   26.680   0.4766   26.680   0.4766 -0.000000 0.000000 
1 1 1  -10    0   24 f   20.320   0.8201   20.320   0.8201   20.320   0.8201 -0.000000 0.000000 
1 1 1  -10    0   25 o   16.610   0.9591   16.610   0.9591   16.610   0.9591 0.000000 0.000000 
1 1 1  -10    0   26 o   16.190   0.6068   16.190   0.6068   16.190   0.6068 -0.000000 0.000000 
1 1 1  -10    0   27 o   11.090   0.8631   11.090   0.8631   11.090   0.8631 -0.000000 0.000000 
1 1 1  -10    0   28 o   10.180   0.9624   10.180   0.9624   10.180   0.9624 -0.000000 0.000000 
1 1 1  -10    0   29 o   15.100   0.6688   15.100   0.6688   15.100   0.6688 0.000000 0.000000 
1 1 1  -10    0   30 o   1.7150   1.2300   1.7150   1.2300   1.7150   1.2300 -0.000000 0.000000 
1 1 1  -10    0   31 o   31.210   0.4831   31.210   0.4831   31.210   0.4831 -0.000000 0.000000 
1 1 1  -10    0   32 o   6.6780   2.4250   6.6780   2.4250   6.6780   2.4250 0.000000 0.000000 
1 1 1  -10    0   33 o   9.3740   1.3830   9.3740   1.3830   9.3740   1.3830 0.000000 0.000000 
1 1 1  -10    0   34 o   9.4940   1.5040   9.4940   1.5040   9.4940   1.5040 -0.000000 0.000000 
1 1 1  -10    0   35 o   7.4280   2.1000   7.4280   2.1000   7.4280   2.1000 -0.000000 0.000000 
1 1 1  -10    0   36 o   4.0610   2.5190   4.0610   2.5190   4.0610   2.5190 0.000000 0.000000 
1 1 1  -10    0   37 o   2.5640   1.7440   2.5640   1.7440   2.5640   1.7440 0.000000 0.000000 
1 1 1  -10    0   38 o   2.1550   1.5420   2.1550   1.5420   2.1550   1.5420 -0.000000 0.000000 
1 1 1  -10    2    1 o   57.530   0.3939   57.850   0.5986   57.210   0.5121 0.6376000 0.7878000 
1 1 1  -10    2    2 o  139.100   1.0770  140.400   1.7710  137.800   1.2260 2.623000 2.153000 
1 1 1  -10    2    3 o   85.430   0.6209   84.910   0.8730   85.950   0.8833 -1.040000 1.242000 
1 1 1  -10    2    4 o   82.320   0.5983   82.380   0.8469   82.260   0.8454 0.1236000 1.197000 
1 1 1  -10    2    5 o   83.420   0.7436   83.720   1.0540   83.120   1.0490 0.5969000 1.487000 
1 1 1  -10    2    6 o   90.320   0.6568   90.220   0.9280   90.410   0.9299 -0.1863000 1.314000 
1 1 1  -10    2    7 o  139.600   0.8773  139.900   1.2440  139.300   1.2380 0.6154000 1.755000 
1 1 1  -10    2    8 o   24.070   0.2113   24.290   0.3232   23.860   0.2722 0.4318000 0.4226000 
1 1 1  -10    2    9 o   30.200   0.2198   30.270   0.3107   30.130   0.3111 0.1354000 0.4396000 
1 1 1  -10    2   10 o   32.620   0.2687   32.610   0.3791   32.620   0.3808 -0.1393000E-01 0.5374000 
1 1 1  -10    2   11 o   51.360   0.4749   51.890   0.6785   50.840   0.6646 1.045000 0.9497000 
1 1 1  -10    2   12 o   16.750   0.2440   16.760   0.3457   16.730   0.3443 0.3468000E-01 0.4879000 
1 1 1  -10    2   13 o   46.030   0.3098   46.170   0.4393   45.880   0.4368 0.2981000 0.6195000 
1 1 1  -10    2   14 o   43.620   0.3004   43.750   0.4262   43.480   0.4234 0.2727000 0.6008000 
1 1 1  -10    2   15 o   26.040   0.2538   26.050   0.3585   26.040   0.3595 0.5926000E-02 0.5077000 
1 1 1  -10    2   16 o  129.700   0.8204  129.700   1.1600  129.600   1.1600 0.7706000E-01 1.641000 
1 1 1  -10    2   17 o   51.890   0.3586   52.130   0.5089   51.650   0.5054 0.4790000 0.7172000 
1 1 1  -10    2   18 o   34.040   0.3456   33.050   0.4829   35.030   0.4945 -1.979000 0.6912000 
1 1 1  -10    2   19 o   49.960   0.4602   50.980   0.5985   48.940   0.6993 2.031000 0.9205000 
1 1 1  -10    2   20 o   64.730   0.6125   64.020   0.8555   65.430   0.8767 -1.415000 1.225000 
1 1 1  -10    2   21 o   54.060   0.3831   54.080   0.5419   54.050   0.5416 0.3294000E-01 0.7662000 
1 1 1  -10    2   22 o   39.330   0.3322   38.770   0.4656   39.880   0.4741 -1.110000 0.6645000 
1 1 1  -10    2   23 o   13.630   0.5396   13.440   0.7511   13.820   0.7748 -0.3765000 1.079000 
1 1 1  -10    2   24 o   16.520   0.6856   16.360   0.9549   16.680   0.9841 -0.3187000 1.371000 
1 1 1  -10    2   25 o   19.740   0.4655   19.890   0.6628   19.590   0.6538 0.3022000 0.9310000 
1 1 1  -10    2   26 o   21.490   0.3659   21.530   0.5051   21.440   0.5295 0.9436000E-01 0.7317000 
1 1 1  -10    2   27 o   13.380   0.5200   12.880   0.7315   13.870   0.7391 -0.9979000 1.040000 
1 1 1  -10    2   28 o   22.250   0.3592   22.660   0.5039   21.830   0.5121 0.8271000 0.7185000 
1 1 1  -10    2   29 o   21.320   0.3722   20.770   0.5331   21.860   0.5196 -1.095000 0.7444000 
1 1 1  -10    2   30 o   8.7280   0.8750   9.3620   1.0850   8.0940   1.3730 1.268000 1.750000 
1 1 1  -10    2   31 o   11.910   0.6547   11.890   0.8980   11.930   0.9528 -0.4408000E-01 1.309000 
1 1 1  -10    2   32 o   5.0000   1.3820   5.9490   2.0680   4.0520   1.8330 1.896000 2.763000 
1 1 1  -10    2   33 o   4.0640   1.1940   4.8930   1.8450   3.2350   1.5160 1.658000 2.388000 
1 1 1  -10    2   34 o   7.1840   1.3080   7.8270   1.7280   6.5420   1.9640 1.285000 2.616000 
1 1 1  -10    2   35 o   6.4680   1.3480   7.1900   1.8280   5.7450   1.9830 1.444000 2.696000 
1 1 1  -10    2   36 o   6.8840   1.6630   5.3680   2.2280   8.4010   2.4680 -3.033000 3.325000 
1 1 1  -10    2   37 o   2.9440   1.0150   3.0830   1.4890   2.8050   1.3800 0.2783000 2.030000 
1 1 1  -10    2   38 o   2.7520   0.9931   2.6360   1.3380   2.8690   1.4680 -0.2333000 1.986000 
1 1 1  -10    4    1 o   33.970   0.2639   34.450   0.3806   33.490   0.3656 0.9584000 0.5277000 
1 1 1  -10    4    2 o   87.980   0.5993   87.910   0.7831   88.040   0.9074 -0.1322000 1.199000 
1 1 1  -10    4    3 o   42.730   0.2790   42.750   0.3949   42.710   0.3943 0.4300000E-01 0.5581000 
1 1 1  -10    4    4 o   63.670   0.4049   63.810   0.5736   63.530   0.5716 0.2838000 0.8098000 
1 1 1  -10    4    5 f   97.610   0.7104   97.380   1.0020   97.840   1.0070 -0.4622000 1.421000 
1 1 1  -10    4    6 o  111.700   0.7034  111.600   0.9937  111.900   0.9959 -0.3005000 1.407000 
1 1 1  -10    4    7 o   98.310   0.6205   98.770   0.8813   97.840   0.8736 0.9293000 1.241000 
1 1 1  -10    4    8 o   48.420   0.3172   48.530   0.4492   48.310   0.4480 0.2258000 0.6344000 
1 1 1  -10    4    9 o   17.700   0.2505   17.300   0.3523   18.100   0.3560 -0.8006000 0.5009000 
1 1 1  -10    4   10 o   31.600   0.2725   31.860   0.3859   31.350   0.3848 0.5019000 0.5450000 
1 1 1  -10    4   11 o   25.510   0.2581   25.660   0.3690   25.360   0.3610 0.3000000 0.5162000 
1 1 1  -10    4   12 o   19.000   0.2426   18.940   0.3421   19.060   0.3439 -0.1226000 0.4851000 
1 1 1  -10    4   13 o   33.730   0.2566   33.940   0.3634   33.530   0.3623 0.4094000 0.5132000 
1 1 1  -10    4   14 o   26.470   0.2640   25.820   0.3914   27.130   0.3542 -1.312000 0.5279000 
1 1 1  -10    4   15 o   33.080   0.2709   33.050   0.3810   33.110   0.3852 -0.6308000E-01 0.5418000 
1 1 1  -10    4   16 o   90.370   0.5777   90.200   0.8151   90.540   0.8187 -0.3422000 1.155000 
1 1 1  -10    4   17 o   94.520   0.6046   94.480   0.8544   94.570   0.8558 -0.9380000E-01 1.209000 
1 1 1  -10    4   18 o   72.330   0.4741   72.550   0.6722   72.110   0.6688 0.4430000 0.9483000 
1 1 1  -10    4   19 o   74.380   0.6319   74.240   0.8014   74.530   0.9773 -0.2957000 1.264000 
1 1 1  -10    4   20 o   73.630   0.5586   73.620   0.7864   73.640   0.7935 -0.1722000E-01 1.117000 
1 1 1  -10    4   21 o   44.400   0.3464   44.580   0.4893   44.220   0.4906 0.3526000 0.6929000 
1 1 1  -10    4   22 o   5.8590   1.1420   7.0200   1.4810   4.6990   1.7380 2.321000 2.283000 
1 1 1  -10    4   23 f   24.890   0.3486   25.100   0.4753   24.670   0.5101 0.4240000 0.6973000 
1 1 1  -10    4   24 o   4.6420   1.3620   4.8170   1.9280   4.4670   1.9250 0.3500000 2.725000 
1 1 1  -10    4   25 o   16.810   0.5019   17.550   0.6924   16.070   0.7268 1.482000 1.004000 
1 1 1  -10    4   26 o   22.890   0.3525   22.970   0.4782   22.810   0.5181 0.1595000 0.7050000 
1 1 1  -10    4   27 o   19.960   0.3811   20.130   0.5255   19.790   0.5520 0.3387000 0.7621000 
1 1 1  -10    4   28 o   17.920   0.4130   17.860   0.5686   17.990   0.5990 -0.1300000 0.8259000 
1 1 1  -10    4   29 o   12.610   0.5756   13.060   0.7661   12.160   0.8592 0.8911000 1.151000 
1 1 1  -10    4   30 o   6.9940   1.0470   5.1870   1.6640   8.8020   1.2730 -3.614000 2.095000 
1 1 1  -10    4   31 o   15.570   0.5292   15.030   0.7361   16.100   0.7606 -1.075000 1.058000 
1 1 1  -10    4   32 o   9.2740   1.2700   9.5490   1.6830   8.9990   1.9010 0.5506000 2.539000 
1 1 1  -10    4   33 o   5.3160   1.2990   5.9480   1.8360   4.6850   1.8390 1.263000 2.599000 
1 1 1  -10    4   34 o   6.8970   1.2970   6.2600   1.8620   7.5340   1.8050 -1.275000 2.593000 
1 1 1  -10    4   35 o   4.0820   1.2510   4.1120   1.7640   4.0510   1.7750 0.6096000E-01 2.502000 
1 1 1  -10    4   36 o   5.7090   1.6020   4.5480   2.0300   6.8710   2.4790 -2.323000 3.204000 
1 1 1  -10    4   37 o   3.0300   1.0320   3.0730   1.4720   2.9870   1.4460 0.8623000E-01 2.063000 
1 1 1  -10    6    1 o   77.700   0.5686   77.550   0.8026   77.840   0.8057 -0.2970000 1.137000 
1 1 1  -10    6    2 o   90.740   0.6620   91.030   0.9391   90.450   0.9332 0.5779000 1.324000 
1 1 1  -10    6    3 o   81.250   0.5946   81.250   0.8410   81.240   0.8407 0.1230000E-01 1.189000 
1 1 1  -10    6    4 o   31.480   0.2331   31.450   0.3301   31.500   0.3292 -0.5472000E-01 0.4662000 
1 1 1  -10    6    5 o   8.8090   0.4204   9.2780   0.6047   8.3400   0.5842 0.9378000 0.8408000 
1 1 1  -10    6    6 o   30.460   0.2996   29.390   0.3706   31.540   0.4708 -2.152000 0.5992000 
1 1 1  -10    6    7 o   34.310   0.2878   34.590   0.4081   34.020   0.4060 0.5720000 0.5757000 
1 1 1  -10    6    8 o   20.120   0.2654   19.830   0.3729   20.420   0.3777 -0.5910000 0.5308000 
1 1 1  -10    6    9 o   30.110   0.2590   29.710   0.3333   30.510   0.3966 -0.8075000 0.5181000 
1 1 1  -10    6   10 o   16.700   0.3042   16.470   0.4313   16.920   0.4290 -0.4435000 0.6083000 
1 1 1  -10    6   11 o   43.310   0.2998   43.500   0.4247   43.110   0.4234 0.3937000 0.5997000 
1 1 1  -10    6   12 o   42.310   0.2964   42.770   0.4213   41.840   0.4172 0.9258000 0.5929000 
1 1 1  -10    6   13 o   21.020   0.2693   21.100   0.3750   20.940   0.3866 0.1660000 0.5386000 
1 1 1  -10    6   14 o   38.540   0.2894   38.270   0.4073   38.820   0.4112 -0.5447000 0.5788000 
1 1 1  -10    6   15 o   60.590   0.4025   60.570   0.5687   60.600   0.5698 -0.3139000E-01 0.8050000 
1 1 1  -10    6   16 o   65.810   0.4333   65.510   0.6094   66.110   0.6163 -0.5947000 0.8667000 
1 1 1  -10    6   17 f   70.840   0.4646   70.880   0.6565   70.810   0.6577 0.6811000E-01 0.9293000 
1 1 1  -10    6   18 o   45.190   0.3972   45.080   0.5604   45.310   0.5630 -0.2324000 0.7944000 
1 1 1  -10    6   19 o   47.870   0.4087   47.920   0.5674   47.820   0.5884 0.1023000 0.8174000 
1 1 1  -10    6   20 o   32.060   0.3485   31.950   0.5048   32.170   0.4807 -0.2189000 0.6970000 
1 1 1  -10    6   21 o   10.970   0.7083   9.8360   1.0670   12.110   0.9317 -2.270000 1.417000 
1 1 1  -10    6   22 o   26.450   0.3449   26.820   0.4742   26.080   0.5008 0.7423000 0.6897000 
1 1 1  -10    6   23 o   10.490   0.8320   9.0320   1.2300   11.950   1.1200 -2.913000 1.664000 
1 1 1  -10    6   24 o   18.310   0.4808   17.940   0.6979   18.680   0.6616 -0.7329000 0.9617000 
1 1 1  -10    6   25 o   10.080   0.6990   9.6470   0.9879   10.510   0.9891 -0.8605000 1.398000 
1 1 1  -10    6   26 o   6.2100   1.0810   5.5110   1.5660   6.9100   1.4910 -1.399000 2.162000 
1 1 1  -10    6   27 o   12.590   0.5562   12.800   0.7462   12.390   0.8249 0.4118000 1.112000 
1 1 1  -10    6   28 o   12.170   0.5761   12.110   0.7895   12.220   0.8393 -0.1071000 1.152000 
1 1 1  -10    6   29 o   11.570   0.6344   12.260   0.8122   10.870   0.9748 1.390000 1.269000 
1 1 1  -10    6   30 o   11.930   0.6630   13.120   0.8174   10.730   1.0440 2.390000 1.326000 
1 1 1  -10    6   31 o   11.350   0.8475   10.370   1.3060   12.340   1.0800 -1.964000 1.695000 
1 1 1  -10    6   32 o   12.910   0.7789   12.560   1.0480   13.260   1.1530 -0.6948000 1.558000 
1 1 1  -10    6   33 o   5.9980   1.3220   5.2260   1.8950   6.7710   1.8450 -1.545000 2.645000 
1 1 1  -10    6   34 o   3.4520   1.1270   2.9040   1.4070   3.9990   1.7610 -1.095000 2.254000 
1 1 1  -10    6   35 o   4.6810   1.3970   4.8040   1.9720   4.5570   1.9800 0.2462000 2.795000 
1 1 1  -10    6   36 o   3.9800   1.2720   4.7390   2.0070   3.2200   1.5630 1.519000 2.544000 
1 1 1  -10    6   37 o   2.3980   0.8526   2.4260   1.2180   2.3700   1.1930 0.5599000E-01 1.705000 
1 1 1  -10    8    1 o   27.690   0.2607   27.770   0.3670   27.610   0.3703 0.1598000 0.5213000 
1 1 1  -10    8    2 o   41.100   0.3245   41.380   0.4609   40.830   0.4569 0.5477000 0.6490000 
1 1 1  -10    8    3 o   31.880   0.2822   31.720   0.3961   32.040   0.4020 -0.3225000 0.5643000 
1 1 1  -10    8    4 o   19.170   0.3246   19.600   0.3954   18.750   0.5148 0.8495000 0.6492000 
1 1 1  -10    8    5 o   40.280   0.3262   40.360   0.4625   40.200   0.4601 0.1541000 0.6523000 
1 1 1  -10    8    6 o   87.200   0.5550   87.340   0.7862   87.060   0.7836 0.2750000 1.110000 
1 1 1  -10    8    7 o   22.780   0.2459   22.530   0.3479   23.030   0.3475 -0.4996000 0.4917000 
1 1 1  -10    8    8 o   34.140   0.3026   34.090   0.4291   34.190   0.4267 -0.1019000 0.6052000 
1 1 1  -10    8    9 o   63.060   0.4743   63.210   0.6721   62.920   0.6694 0.2876000 0.9485000 
1 1 1  -10    8   10 o   43.510   0.3047   43.500   0.4307   43.510   0.4312 -0.9914000E-02 0.6095000 
1 1 1  -10    8   11 o   72.350   0.4667   72.460   0.6608   72.240   0.6593 0.2240000 0.9334000 
1 1 1  -10    8   12 o   56.030   0.3740   56.190   0.5298   55.880   0.5280 0.3119000 0.7480000 
1 1 1  -10    8   13 o   75.740   0.4891   75.820   0.6918   75.650   0.6916 0.1697000 0.9782000 
1 1 1  -10    8   14 o   26.910   0.3090   27.210   0.4486   26.610   0.4250 0.6003000 0.6180000 
1 1 1  -10    8   15 o   32.420   0.2954   32.550   0.4126   32.300   0.4228 0.2460000 0.5908000 
1 1 1  -10    8   16 o   3.5060   1.0390   4.0890   1.5700   2.9220   1.3620 1.167000 2.078000 
1 1 1  -10    8   17 o   29.940   0.3828   29.990   0.5302   29.890   0.5523 0.1024000 0.7656000 
1 1 1  -10    8   18 o   23.300   0.4054   23.580   0.5283   23.030   0.6151 0.5498000 0.8108000 
1 1 1  -10    8   19 o   60.960   0.4800   60.900   0.6736   61.030   0.6840 -0.1316000 0.9600000 
1 1 1  -10    8   20 o   36.220   0.3831   37.190   0.5169   35.250   0.5656 1.934000 0.7662000 
1 1 1  -10    8   21 o   40.700   0.3385   40.880   0.4745   40.530   0.4830 0.3491000 0.6771000 
1 1 1  -10    8   22 o   13.210   0.6815   12.420   0.9129   14.000   1.0120 -1.588000 1.363000 
1 1 1  -10    8   23 o   29.010   0.3941   28.790   0.5188   29.230   0.5934 -0.4399000 0.7883000 
1 1 1  -10    8   24 o   25.880   0.3973   26.490   0.5446   25.280   0.5784 1.204000 0.7945000 
1 1 1  -10    8   25 f   9.4820   0.7419   9.9480   0.9267   9.0160   1.1590 0.9328000 1.484000 
1 1 1  -10    8   26 o   4.0560   1.0070   5.5370   1.5820   2.5750   1.2470 2.963000 2.014000 
1 1 1  -10    8   27 o   21.990   0.3603   21.660   0.4943   22.310   0.5245 -0.6553000 0.7207000 
1 1 1  -10    8   28 o   6.4020   1.1100   6.9670   1.4100   5.8360   1.7150 1.132000 2.220000 
1 1 1  -10    8   29 o   19.630   0.4125   19.370   0.5671   19.880   0.5993 -0.5101000 0.8251000 
1 1 1  -10    8   30 o   8.5460   0.9558   8.3110   1.3390   8.7810   1.3640 -0.4699000 1.912000 
1 1 1  -10    8   31 o   4.8120   1.3380   5.0070   1.9010   4.6160   1.8840 0.3910000 2.677000 
1 1 1  -10    8   32 o   6.4570   1.2670   8.1600   1.6390   4.7530   1.9330 3.407000 2.534000 
1 1 1  -10    8   33 o   13.570   0.7250   13.420   1.0220   13.720   1.0280 -0.3073000 1.450000 
1 1 1  -10    8   34 o   4.2160   1.2560   4.7380   1.8580   3.6940   1.6890 1.045000 2.511000 
1 1 1  -10    8   35 o   5.6690   1.4390   6.7490   2.0660   4.5890   2.0040 2.159000 2.878000 
1 1 1  -10    8   36 o   2.9270   1.0230   3.1220   1.5260   2.7320   1.3620 0.3891000 2.045000 
1 1 1  -10    8   37 o   2.4560   0.8848   2.2490   1.1470   2.6630   1.3480 -0.4138000 1.770000 
1 1 1  -10   10    1 o   46.990   0.3191   46.880   0.4506   47.110   0.4520 -0.2218000 0.6383000 
1 1 1  -10   10    2 o   27.200   0.2449   27.050   0.3469   27.360   0.3458 -0.3063000 0.4898000 
1 1 1  -10   10    3 o   39.390   0.3048   38.850   0.3953   39.940   0.4640 -1.098000 0.6096000 
1 1 1  -10   10    4 o   46.330   0.3178   46.030   0.4476   46.630   0.4513 -0.6003000 0.6356000 
1 1 1  -10   10    5 o   46.160   0.3668   45.530   0.5124   46.790   0.5250 -1.259000 0.7336000 
1 1 1  -10   10    6 o   35.490   0.3161   35.480   0.4482   35.490   0.4460 -0.9647000E-02 0.6323000 
1 1 1  -10   10    7 f   16.190   0.4503   14.930   0.7468   17.450   0.5032 -2.517000 0.9005000 
1 1 1  -10   10    8 o   24.820   0.2692   24.720   0.3809   24.920   0.3805 -0.1946000 0.5384000 
1 1 1  -10   10    9 o   58.390   0.3874   58.270   0.5460   58.510   0.5499 -0.2445000 0.7749000 
1 1 1  -10   10   10 o   40.370   0.2996   40.630   0.4231   40.120   0.4243 0.5122000 0.5992000 
1 1 1  -10   10   11 o   29.110   0.2831   29.310   0.3961   28.910   0.4046 0.3973000 0.5663000 
1 1 1  -10   10   12 o   60.380   0.4043   60.830   0.5745   59.930   0.5690 0.9016000 0.8086000 
1 1 1  -10   10   13 o  105.900   0.6741  105.500   0.9498  106.200   0.9568 -0.7063000 1.348000 
1 1 1  -10   10   14 o   44.100   0.3348   44.080   0.4714   44.130   0.4757 -0.4493000E-01 0.6697000 
1 1 1  -10   10   15 f   43.980   0.3984   44.220   0.5576   43.740   0.5692 0.4759000 0.7968000 
1 1 1  -10   10   16 o   21.110   0.4846   20.560   0.6919   21.660   0.6788 -1.100000 0.9692000 
1 1 1  -10   10   17 o   44.220   0.3548   44.080   0.4956   44.360   0.5079 -0.2855000 0.7097000 
1 1 1  -10   10   18 o   53.880   0.4411   53.900   0.6172   53.860   0.6303 0.4217000E-01 0.8822000 
1 1 1  -10   10   19 o   36.330   0.3398   36.160   0.4711   36.500   0.4899 -0.3409000 0.6796000 
1 1 1  -10   10   20 o   34.720   0.3349   34.560   0.4675   34.880   0.4795 -0.3186000 0.6697000 
1 1 1  -10   10   21 o   19.360   0.4974   18.860   0.6690   19.870   0.7361 -1.006000 0.9947000 
1 1 1  -10   10   22 o   28.480   0.3584   28.680   0.5208   28.290   0.4924 0.3912000 0.7168000 
1 1 1  -10   10   23 o   29.130   0.3850   28.390   0.5472   29.870   0.5415 -1.483000 0.7699000 
1 1 1  -10   10   24 o   5.0800   1.1820   4.8640   1.6330   5.2960   1.7090 -0.4329000 2.364000 
1 1 1  -10   10   25 o   6.3680   1.0880   6.5760   1.4440   6.1600   1.6260 0.4163000 2.175000 
1 1 1  -10   10   26 o   17.650   0.4254   17.400   0.5794   17.910   0.6229 -0.5159000 0.8507000 
1 1 1  -10   10   27 o   18.430   0.4176   19.040   0.5485   17.810   0.6297 1.230000 0.8351000 
1 1 1  -10   10   28 o   15.740   0.4941   15.870   0.6522   15.610   0.7425 0.2580000 0.9882000 
1 1 1  -10   10   29 f   16.220   0.4957   16.110   0.6679   16.330   0.7327 -0.2150000 0.9915000 
1 1 1  -10   10   30 o   4.6380   1.3390   4.8600   1.8730   4.4160   1.9130 0.4435000 2.678000 
1 1 1  -10   10   31 o   4.9100   1.2470   6.2170   1.8620   3.6030   1.6590 2.614000 2.494000 
1 1 1  -10   10   32 o   6.7600   1.1520   3.9450   1.7820   9.5740   1.4600 -5.629000 2.304000 
1 1 1  -10   10   33 o   4.5680   1.3000   4.9470   1.8710   4.1890   1.8040 0.7585000 2.599000 
1 1 1  -10   10   34 o   5.7190   1.4340   4.2080   1.8460   7.2300   2.1940 -3.022000 2.867000 
1 1 1  -10   10   35 o   3.0070   1.0440   2.8290   1.4040   3.1860   1.5450 -0.3573000 2.087000 
1 1 1  -10   10   36 o   3.3020   1.1220   3.1310   1.5240   3.4730   1.6470 -0.3418000 2.244000 
1 1 1  -10   12    1 o   18.730   0.3010   19.330   0.4191   18.130   0.4322 1.204000 0.6021000 
1 1 1  -10   12    2 o   44.770   0.3143   44.690   0.4442   44.840   0.4447 -0.1562000 0.6286000 
1 1 1  -10   12    3 o   47.040   0.3261   47.170   0.4622   46.900   0.4600 0.2684000 0.6521000 
1 1 1  -10   12    4 o   31.150   0.2738   31.110   0.3852   31.180   0.3891 -0.6211000E-01 0.5475000 
1 1 1  -10   12    5 o   42.780   0.3115   43.500   0.4432   42.060   0.4379 1.438000 0.6231000 
1 1 1  -10   12    6 o   89.420   0.5717   89.260   0.8068   89.590   0.8103 -0.3319000 1.143000 
1 1 1  -10   12    7 o   15.880   0.3902   16.460   0.5245   15.300   0.5779 1.158000 0.7804000 
1 1 1  -10   12    8 o   28.210   0.2941   28.030   0.4119   28.400   0.4201 -0.3706000 0.5883000 
1 1 1  -10   12    9 o   58.780   0.3968   58.870   0.5614   58.690   0.5611 0.1775000 0.7937000 
1 1 1  -10   12   10 o   52.200   0.3664   51.890   0.5140   52.520   0.5224 -0.6306000 0.7329000 
1 1 1  -10   12   11 o   66.830   0.4439   66.530   0.6244   67.120   0.6310 -0.5899000 0.8877000 
1 1 1  -10   12   12 o   39.780   0.3239   39.300   0.4507   40.260   0.4654 -0.9611000 0.6479000 
1 1 1  -10   12   13 o   16.300   0.5810   15.660   0.8276   16.930   0.8156 -1.270000 1.162000 
1 1 1  -10   12   14 o   46.340   0.4184   46.510   0.5893   46.170   0.5942 0.3372000 0.8369000 
1 1 1  -10   12   15 o   43.070   0.3525   42.950   0.4907   43.190   0.5063 -0.2373000 0.7050000 
1 1 1  -10   12   16 o   40.720   0.3943   40.830   0.5468   40.610   0.5682 0.2218000 0.7886000 
1 1 1  -10   12   17 o   29.810   0.4453   30.730   0.5293   28.900   0.7161 1.825000 0.8905000 
1 1 1  -10   12   18 f   35.120   0.3384   35.630   0.4754   34.600   0.4817 1.029000 0.6768000 
1 1 1  -10   12   19 o   12.260   0.6548   12.630   0.8586   11.880   0.9889 0.7483000 1.310000 
1 1 1  -10   12   20 f   37.700   0.3844   37.740   0.5295   37.660   0.5575 0.7925000E-01 0.7689000 
1 1 1  -10   12   21 o   7.2030   1.0560   8.8110   1.1590   5.5960   1.7650 3.214000 2.111000 
1 1 1  -10   12   22 o   11.060   0.7716   10.900   1.0790   11.220   1.1030 -0.3211000 1.543000 
1 1 1  -10   12   23 o   14.480   0.5995   13.570   0.9479   15.400   0.7344 -1.831000 1.199000 
1 1 1  -10   12   24 o   14.040   0.5135   13.380   0.7188   14.710   0.7336 -1.329000 1.027000 
1 1 1  -10   12   25 o   4.1560   1.0620   5.3150   1.5880   2.9960   1.4110 2.319000 2.124000 
1 1 1  -10   12   26 o   11.860   0.6236   11.080   0.8930   12.640   0.8706 -1.561000 1.247000 
1 1 1  -10   12   27 o   7.6630   1.0190   7.1250   1.4390   8.2000   1.4420 -1.075000 2.037000 
1 1 1  -10   12   28 o   14.090   0.6315   13.550   0.9566   14.620   0.8247 -1.072000 1.263000 
1 1 1  -10   12   29 o   6.3600   1.3480   5.4240   1.9380   7.2950   1.8730 -1.871000 2.695000 
1 1 1  -10   12   30 f   12.180   0.7554   12.540   0.9303   11.830   1.1900 0.7083000 1.511000 
1 1 1  -10   12   31 f   11.280   0.9239   11.270   1.2080   11.290   1.3980 -0.1229000E-01 1.848000 
1 1 1  -10   12   32 o   4.0240   1.2200   4.3260   1.7760   3.7220   1.6730 0.6042000 2.440000 
1 1 1  -10   12   33 o   5.4830   1.3720   6.7490   1.9940   4.2180   1.8860 2.531000 2.744000 
1 1 1  -10   12   34 o   3.2330   1.0810   3.0810   1.4700   3.3840   1.5860 -0.3027000 2.162000 
1 1 1  -10   12   35 o   3.5660   1.1780   3.7060   1.7100   3.4270   1.6210 0.2793000 2.356000 
1 1 1  -10   14    1 o   17.370   0.3666   17.240   0.5232   17.500   0.5138 -0.2576000 0.7333000 
1 1 1  -10   14    2 o   77.640   0.5015   77.560   0.7085   77.730   0.7099 -0.1681000 1.003000 
1 1 1  -10   14    3 o   42.080   0.3156   41.860   0.4446   42.300   0.4481 -0.4352000 0.6313000 
1 1 1  -10   14    4 o   47.100   0.3895   46.180   0.5423   48.020   0.5592 -1.839000 0.7790000 
1 1 1  -10   14    5 o   58.860   0.4303   59.790   0.6551   57.920   0.5580 1.867000 0.8606000 
1 1 1  -10   14    6 o   46.670   0.3934   45.510   0.5402   47.830   0.5720 -2.326000 0.7868000 
1 1 1  -10   14    7 o  108.700   0.6916  107.700   0.9693  109.600   0.9867 -1.871000 1.383000 
1 1 1  -10   14    8 o  105.200   0.7253  104.700   1.0920  105.700   0.9549 -0.9960000 1.451000 
1 1 1  -10   14    9 o   24.090   0.3539   24.170   0.4859   24.010   0.5146 0.1550000 0.7078000 
1 1 1  -10   14   10 o   26.570   0.4204   26.840   0.5725   26.300   0.6157 0.5355000 0.8407000 
1 1 1  -10   14   11 o   55.810   0.4638   55.310   0.6483   56.320   0.6633 -1.014000 0.9275000 
1 1 1  -10   14   12 o   39.150   0.3515   38.710   0.4882   39.600   0.5057 -0.8914000 0.7030000 
1 1 1  -10   14   13 o   70.200   0.4721   70.120   0.6662   70.290   0.6692 -0.1674000 0.9443000 
1 1 1  -10   14   14 o   23.910   0.4391   23.680   0.5851   24.140   0.6550 -0.4644000 0.8783000 
1 1 1  -10   14   15 o   28.360   0.4120   28.570   0.5642   28.150   0.6004 0.4227000 0.8239000 
1 1 1  -10   14   16 f   33.490   0.3514   33.250   0.4823   33.740   0.5113 -0.4963000 0.7029000 
1 1 1  -10   14   17 o   6.8060   1.2100   6.2850   1.7180   7.3260   1.7040 -1.040000 2.419000 
1 1 1  -10   14   18 o   32.750   0.4047   33.090   0.5436   32.400   0.5998 0.6886000 0.8095000 
1 1 1  -10   14   19 o   22.790   0.5221   23.530   0.7822   22.050   0.6918 1.482000 1.044000 
1 1 1  -10   14   20 o   7.5550   1.0250   7.5840   1.3520   7.5260   1.5400 0.5754000E-01 2.050000 
1 1 1  -10   14   21 o   27.590   0.4871   26.340   0.7869   28.850   0.5744 -2.509000 0.9742000 
1 1 1  -10   14   22 o   8.5150   0.9387   10.090   0.9980   6.9390   1.5900 3.152000 1.877000 
1 1 1  -10   14   23 o   18.950   0.4256   19.130   0.5708   18.780   0.6314 0.3480000 0.8512000 
1 1 1  -10   14   24 o   12.830   0.5840   12.790   0.7838   12.870   0.8661 -0.7675000E-01 1.168000 
1 1 1  -10   14   25 o   22.220   0.3861   22.090   0.5265   22.360   0.5648 -0.2688000 0.7722000 
1 1 1  -10   14   26 o   8.2000   0.9525   7.1070   1.4570   9.2920   1.2270 -2.185000 1.905000 
1 1 1  -10   14   27 o   10.440   0.8065   9.2060   1.2180   11.680   1.0570 -2.470000 1.613000 
1 1 1  -10   14   28 o   8.5630   1.2170   10.380   1.3560   6.7430   2.0210 3.640000 2.434000 
1 1 1  -10   14   29 o   6.8980   1.1090   4.5050   1.7490   9.2900   1.3650 -4.784000 2.219000 
1 1 1  -10   14   30 o   11.180   0.9829   12.040   1.1570   10.310   1.5890 1.729000 1.966000 
1 1 1  -10   14   31 o   5.1150   1.2940   6.1170   1.8540   4.1130   1.8040 2.004000 2.587000 
1 1 1  -10   14   32 o   5.6040   1.3570   7.2760   2.0220   3.9310   1.8110 3.345000 2.714000 
1 1 1  -10   14   33 o   10.660   1.3100   8.3770   2.2330   12.950   1.3690 -4.570000 2.620000 
1 1 1  -10   14   34 o   3.4190   1.1610   3.3820   1.6380   3.4550   1.6470 -0.7350000E-01 2.322000 
1 1 1  -10   16    1 o   52.610   0.3708   53.060   0.5267   52.160   0.5221 0.8953000 0.7416000 
1 1 1  -10   16    2 o   27.750   0.3276   27.520   0.4613   27.980   0.4653 -0.4587000 0.6553000 
1 1 1  -10   16    3 o   50.300   0.3614   50.330   0.5098   50.270   0.5124 0.5615000E-01 0.7228000 
1 1 1  -10   16    4 o   44.220   0.3917   44.000   0.5535   44.440   0.5545 -0.4341000 0.7835000 
1 1 1  -10   16    5 o   18.990   0.5820   17.360   0.7339   20.620   0.9036 -3.265000 1.164000 
1 1 1  -10   16    6 o   19.840   0.5076   20.040   0.6812   19.650   0.7528 0.3976000 1.015000 
1 1 1  -10   16    7 f   71.040   0.5471   70.840   0.7690   71.250   0.7785 -0.4030000 1.094000 
1 1 1  -10   16    8 o   73.460   0.5647   73.120   0.7906   73.800   0.8064 -0.6787000 1.129000 
1 1 1  -10   16    9 o   20.920   0.4796   20.570   0.6984   21.270   0.6575 -0.6963000 0.9592000 
1 1 1  -10   16   10 o   33.680   0.3607   34.260   0.4993   33.110   0.5207 1.147000 0.7214000 
1 1 1  -10   16   11 o   49.920   0.3827   49.590   0.5353   50.260   0.5472 -0.6746000 0.7654000 
1 1 1  -10   16   12 o   16.210   0.6294   16.330   0.8609   16.090   0.9184 0.2374000 1.259000 
1 1 1  -10   16   13 o   63.740   0.5060   63.440   0.7098   64.040   0.7215 -0.5969000 1.012000 
1 1 1  -10   16   14 o   10.020   0.8920   9.9340   1.2230   10.100   1.2990 -0.1626000 1.784000 
1 1 1  -10   16   15 o   15.850   0.5569   15.510   0.7750   16.180   0.7999 -0.6722000 1.114000 
1 1 1  -10   16   16 o   13.770   0.7380   13.450   0.9988   14.090   1.0870 -0.6442000 1.476000 
1 1 1  -10   16   17 o   16.530   0.5258   16.500   0.7137   16.550   0.7723 -0.4864000E-01 1.052000 
1 1 1  -10   16   18 o   17.990   0.4603   18.100   0.6144   17.890   0.6854 0.2038000 0.9205000 
1 1 1  -10   16   19 o   5.0520   1.2400   3.8150   1.6640   6.2900   1.8380 -2.475000 2.479000 
1 1 1  -10   16   20 o   11.780   0.7422   11.020   1.0580   12.540   1.0420 -1.520000 1.484000 
1 1 1  -10   16   21 o   9.8210   0.7798   8.2820   1.2300   11.360   0.9594 -3.079000 1.560000 
1 1 1  -10   16   22 o   6.8630   1.0640   7.6420   1.2850   6.0850   1.6970 1.557000 2.128000 
1 1 1  -10   16   23 o   30.030   0.3450   30.000   0.4795   30.060   0.4961 -0.6725000E-01 0.6900000 
1 1 1  -10   16   24 o   11.890   0.6656   11.880   0.8878   11.890   0.9919 -0.8328000E-02 1.331000 
1 1 1  -10   16   25 o   18.350   0.4613   18.280   0.6261   18.420   0.6776 -0.1378000 0.9226000 
1 1 1  -10   16   26 o   16.320   0.6335   16.290   0.8969   16.340   0.8948 -0.5241000E-01 1.267000 
1 1 1  -10   16   27 o   5.3900   1.4090   4.9410   1.9430   5.8400   2.0420 -0.8995000 2.818000 
1 1 1  -10   16   28 o   14.330   0.6320   14.340   0.8506   14.320   0.9350 0.1794000E-01 1.264000 
1 1 1  -10   16   29 o   16.170   0.7358   16.080   1.0850   16.260   0.9945 -0.1748000 1.472000 
1 1 1  -10   16   30 o   4.6580   1.3550   3.8770   1.8140   5.4390   2.0140 -1.562000 2.710000 
1 1 1  -10   16   31 o   6.9990   1.6970   8.6450   2.6310   5.3520   2.1450 3.294000 3.395000 
1 1 1  -10   16   32 o   6.3050   1.4520   5.8950   2.2000   6.7150   1.8960 -0.8200000 2.904000 
1 1 1  -10   16   33 o   3.2000   1.0930   3.4420   1.6270   2.9580   1.4610 0.4835000 2.187000 
1 1 1  -10   18    1 o   78.440   0.5163   78.530   0.7312   78.340   0.7292 0.1904000 1.033000 
1 1 1  -10   18    2 o   71.600   0.4777   71.840   0.6771   71.350   0.6742 0.4941000 0.9555000 
1 1 1  -10   18    3 o   69.770   0.4680   70.260   0.6656   69.290   0.6582 0.9699000 0.9361000 
1 1 1  -10   18    4 o   33.800   0.3775   34.220   0.5642   33.380   0.5017 0.8442000 0.7550000 
1 1 1  -10   18    5 o   45.440   0.3671   45.290   0.5111   45.600   0.5272 -0.3132000 0.7342000 
1 1 1  -10   18    6 o   11.710   0.7983   11.270   1.1420   12.150   1.1160 -0.8839000 1.597000 
1 1 1  -10   18    7 o   10.620   0.8943   11.210   1.1420   10.040   1.3770 1.169000 1.789000 
1 1 1  -10   18    8 o   15.250   0.6874   14.720   0.9784   15.780   0.9659 -1.051000 1.375000 
1 1 1  -10   18    9 o   33.050   0.4127   33.280   0.5734   32.810   0.5938 0.4742000 0.8255000 
1 1 1  -10   18   10 o   29.790   0.4235   29.860   0.5884   29.720   0.6093 0.1432000 0.8470000 
1 1 1  -10   18   11 o   26.670   0.4239   26.910   0.6108   26.420   0.5880 0.4940000 0.8479000 
1 1 1  -10   18   12 o   45.210   0.3987   45.520   0.5958   44.890   0.5302 0.6251000 0.7975000 
1 1 1  -10   18   13 o   5.2030   1.2990   3.4270   1.5900   6.9790   2.0550 -3.552000 2.598000 
1 1 1  -10   18   14 o   8.4300   1.2010   9.1310   1.4260   7.7290   1.9340 1.402000 2.402000 
1 1 1  -10   18   15 o   24.200   0.3973   24.060   0.5432   24.340   0.5799 -0.2729000 0.7945000 
1 1 1  -10   18   16 o   25.810   0.3781   25.900   0.5139   25.720   0.5547 0.1734000 0.7562000 
1 1 1  -10   18   17 o   7.7650   1.1810   8.1660   1.5270   7.3650   1.8030 0.8010000 2.362000 
1 1 1  -10   18   18 o   20.710   0.4708   19.960   0.6737   21.460   0.6579 -1.503000 0.9417000 
1 1 1  -10   18   19 f   8.1410   0.9691   7.1820   1.4830   9.1010   1.2480 -1.920000 1.938000 
1 1 1  -10   18   20 o   8.8810   0.8698   9.6750   1.0460   8.0880   1.3900 1.587000 1.740000 
1 1 1  -10   18   21 o   21.940   0.3978   21.860   0.5481   22.020   0.5767 -0.1608000 0.7956000 
1 1 1  -10   18   22 o   10.990   0.6944   11.100   0.9434   10.890   1.0190 0.2085000 1.389000 
1 1 1  -10   18   23 o   5.5510   1.1350   7.1040   1.5270   3.9980   1.6780 3.106000 2.269000 
1 1 1  -10   18   24 o   4.0520   1.2500   4.3740   1.8650   3.7290   1.6630 0.6450000 2.499000 
1 1 1  -10   18   25 o   5.8270   1.6140   5.8770   2.4940   5.7760   2.0480 0.1011000 3.227000 
1 1 1  -10   18   26 o   4.7400   1.3400   5.6260   2.0650   3.8530   1.7080 1.773000 2.680000 
1 1 1  -10   18   27 o   9.1950   1.2020   10.450   1.5670   7.9410   1.8220 2.509000 2.403000 
1 1 1  -10   18   28 o   4.2200   1.3280   4.1320   1.8810   4.3080   1.8750 -0.1765000 2.656000 
1 1 1  -10   18   29 o   5.1320   1.3350   5.9580   1.9300   4.3060   1.8460 1.652000 2.671000 
1 1 1  -10   18   30 f   10.460   1.1930   12.540   1.2090   8.3770   2.0580 4.164000 2.387000 
1 1 1  -10   18   31 o   3.6230   1.1570   4.0660   1.7450   3.1800   1.5190 0.8852000 2.314000 
1 1 1  -10   18   32 o   3.2330   1.1020   3.0740   1.4980   3.3920   1.6170 -0.3178000 2.204000 
1 1 1  -10   20    1 o   37.740   0.4586   37.180   0.5746   38.310   0.7149 -1.129000 0.9171000 
1 1 1  -10   20    2 o   27.230   0.4405   27.330   0.6266   27.130   0.6192 0.2013000 0.8809000 
1 1 1  -10   20    3 o   62.100   0.4972   61.980   0.7045   62.230   0.7018 -0.2540000 0.9944000 
1 1 1  -10   20    4 o   41.770   0.3862   41.710   0.5835   41.830   0.5062 -0.1194000 0.7725000 
1 1 1  -10   20    5 o   30.500   0.3741   30.300   0.5099   30.710   0.5475 -0.4078000 0.7482000 
1 1 1  -10   20    6 o   20.240   0.4763   20.720   0.6239   19.770   0.7199 0.9498000 0.9526000 
1 1 1  -10   20    7 o   33.070   0.3628   33.340   0.4948   32.790   0.5307 0.5537000 0.7256000 
1 1 1  -10   20    8 o   28.490   0.4438   29.050   0.5780   27.930   0.6735 1.114000 0.8876000 
1 1 1  -10   20    9 o   35.650   0.4068   36.010   0.5412   35.300   0.6076 0.7092000 0.8137000 
1 1 1  -10   20   10 o   15.660   0.6452   14.690   0.8717   16.640   0.9514 -1.948000 1.290000 
1 1 1  -10   20   11 o   10.440   0.8445   11.740   0.9449   9.1420   1.4000 2.598000 1.689000 
1 1 1  -10   20   12 f   45.620   0.3643   45.640   0.5037   45.590   0.5265 0.5350000E-01 0.7286000 
1 1 1  -10   20   13 o   10.100   0.8395   10.280   1.1110   9.9310   1.2590 0.3460000 1.679000 
1 1 1  -10   20   14 o   11.360   0.7388   11.020   1.0250   11.690   1.0640 -0.6748000 1.478000 
1 1 1  -10   20   15 o   18.330   0.5241   17.880   0.7528   18.780   0.7295 -0.8912000 1.048000 
1 1 1  -10   20   16 o   41.680   0.4088   41.640   0.5830   41.720   0.5734 -0.7975000E-01 0.8177000 
1 1 1  -10   20   17 o   16.740   0.5002   17.450   0.6601   16.030   0.7519 1.415000 1.000000 
1 1 1  -10   20   18 o   5.2380   1.3120   4.8980   1.8820   5.5780   1.8300 -0.6801000 2.625000 
1 1 1  -10   20   19 o   8.9620   1.0500   8.4180   1.6910   9.5070   1.2460 -1.089000 2.100000 
1 1 1  -10   20   20 o   6.2270   1.3150   6.5250   1.9080   5.9300   1.8090 0.5952000 2.629000 
1 1 1  -10   20   21 o   24.420   0.4423   24.180   0.6889   24.660   0.5550 -0.4734000 0.8847000 
1 1 1  -10   20   22 o   3.2280   1.0850   3.4530   1.6270   3.0020   1.4360 0.4501000 2.170000 
1 1 1  -10   20   23 o   5.4950   1.5810   6.0370   2.4480   4.9540   2.0000 1.083000 3.161000 
1 1 1  -10   20   24 o   4.8880   1.2260   3.4980   1.5810   6.2770   1.8740 -2.779000 2.452000 
1 1 1  -10   20   25 o   12.580   0.7155   11.930   1.0170   13.220   1.0070 -1.293000 1.431000 
1 1 1  -10   20   26 o   4.5060   1.3160   3.6010   1.6400   5.4100   2.0590 -1.809000 2.632000 
1 1 1  -10   20   27 o   9.8000   1.0900   8.2590   1.7820   11.340   1.2570 -3.083000 2.181000 
1 1 1  -10   20   28 o   5.0470   1.4420   6.2720   2.2780   3.8220   1.7700 2.450000 2.885000 
1 1 1  -10   20   29 o   3.9530   1.2530   4.3260   1.8550   3.5790   1.6860 0.7469000 2.507000 
1 1 1  -10   20   30 f   3.1720   1.0660   3.1500   1.4880   3.1940   1.5260 -0.4428000E-01 2.132000 
1 1 1  -10   20   31 o   2.4940   0.8896   2.5780   1.2930   2.4110   1.2220 0.1674000 1.779000 
1 1 1  -10   22    1 o   28.360   0.4118   28.740   0.5678   27.970   0.5966 0.7746000 0.8236000 
1 1 1  -10   22    2 o   10.370   1.0090   8.8480   1.4660   11.890   1.3870 -3.037000 2.019000 
1 1 1  -10   22    3 o   30.370   0.3952   30.300   0.5451   30.450   0.5724 -0.1467000 0.7904000 
1 1 1  -10   22    4 o   25.640   0.3761   25.520   0.5268   25.770   0.5369 -0.2444000 0.7522000 
1 1 1  -10   22    5 o   41.070   0.3546   41.060   0.4871   41.080   0.5155 -0.2637000E-01 0.7092000 
1 1 1  -10   22    6 o   3.9340   1.1860   3.3620   1.5200   4.5060   1.8200 -1.144000 2.371000 
1 1 1  -10   22    7 o   21.260   0.4301   21.220   0.5755   21.290   0.6393 -0.6304000E-01 0.8601000 
1 1 1  -10   22    8 f   25.340   0.3827   25.010   0.5147   25.680   0.5664 -0.6682000 0.7653000 
1 1 1  -10   22    9 o   18.970   0.4581   19.260   0.6033   18.680   0.6895 0.5761000 0.9162000 
1 1 1  -10   22   10 o   15.370   0.5414   15.340   0.7229   15.410   0.8063 -0.6284000E-01 1.083000 
1 1 1  -10   22   11 o   21.300   0.4626   21.020   0.6302   21.570   0.6772 -0.5532000 0.9251000 
1 1 1  -10   22   12 o   6.9990   1.2900   6.2440   1.9710   7.7540   1.6660 -1.510000 2.581000 
1 1 1  -10   22   13 f   16.700   0.6122   17.250   0.8825   16.150   0.8489 1.098000 1.224000 
1 1 1  -10   22   14 o   4.8870   1.3130   4.4970   1.8680   5.2770   1.8470 -0.7803000 2.627000 
1 1 1  -10   22   15 o   10.660   0.8785   10.930   1.3130   10.380   1.1670 0.5447000 1.757000 
1 1 1  -10   22   16 o   12.920   0.7485   13.370   1.1090   12.470   1.0060 0.9004000 1.497000 
1 1 1  -10   22   17 o   6.6190   1.3000   6.1040   1.9700   7.1340   1.6960 -1.030000 2.600000 
1 1 1  -10   22   18 o   16.720   0.5287   16.430   0.7392   17.010   0.7562 -0.5811000 1.057000 
1 1 1  -10   22   19 o   7.2590   1.1560   8.6840   1.3620   5.8330   1.8690 2.851000 2.312000 
1 1 1  -10   22   20 o   7.4810   1.4170   7.9480   1.9410   7.0140   2.0660 0.9332000 2.835000 
1 1 1  -10   22   21 o   4.4870   1.3380   3.8080   1.7510   5.1670   2.0240 -1.360000 2.676000 
1 1 1  -10   22   22 o   4.6510   1.2030   3.2510   1.5130   6.0510   1.8700 -2.800000 2.406000 
1 1 1  -10   22   23 o   5.8430   1.3450   5.4500   1.8600   6.2360   1.9430 -0.7861000 2.689000 
1 1 1  -10   22   24 o   3.3640   1.1230   3.4200   1.5900   3.3080   1.5850 0.1119000 2.245000 
1 1 1  -10   22   25 o   3.7270   1.2170   3.2090   1.5370   4.2440   1.8890 -1.035000 2.435000 
1 1 1  -10   22   26 o   3.9170   1.2560   4.0980   1.8110   3.7360   1.7400 0.3626000 2.511000 
1 1 1  -10   22   27 o   5.0960   1.3720   6.0290   2.0250   4.1630   1.8520 1.866000 2.744000 
1 1 1  -10   22   28 o   3.3750   1.1100   3.4820   1.5940   3.2680   1.5450 0.2135000 2.220000 
1 1 1  -10   22   29 o   1.9750   0.7160   1.8350   0.9428   2.1160   1.0780 -0.2813000 1.432000 
1 1 1  -10   24    1 o   45.930   0.4142   45.920   0.5819   45.940   0.5897 -0.1834000E-01 0.8284000 
1 1 1  -10   24    2 o   21.370   0.4659   22.040   0.6306   20.710   0.6859 1.328000 0.9317000 
1 1 1  -10   24    3 f   10.390   0.8853   10.790   1.1730   9.9990   1.3260 0.7859000 1.771000 
1 1 1  -10   24    4 o   25.970   0.4186   26.600   0.5781   25.350   0.6055 1.246000 0.8372000 
1 1 1  -10   24    5 o   21.160   0.5358   20.970   0.8294   21.350   0.6784 -0.3800000 1.072000 
1 1 1  -10   24    6 o   25.390   0.4816   24.940   0.7421   25.830   0.6141 -0.8819000 0.9633000 
1 1 1  -10   24    7 o   9.1460   1.1390   8.8970   1.7630   9.3950   1.4430 -0.4978000 2.278000 
1 1 1  -10   24    8 o   16.900   0.6457   16.140   1.0200   17.650   0.7919 -1.508000 1.291000 
1 1 1  -10   24    9 o   5.7610   1.3810   6.0120   2.0740   5.5100   1.8240 0.5027000 2.762000 
1 1 1  -10   24   10 o   23.290   0.4721   23.420   0.7402   23.160   0.5862 0.2661000 0.9442000 
1 1 1  -10   24   11 o   16.660   0.5061   16.140   0.7044   17.170   0.7268 -1.032000 1.012000 
1 1 1  -10   24   12 o   23.620   0.3932   23.660   0.5271   23.580   0.5836 0.7408000E-01 0.7864000 
1 1 1  -10   24   13 o   18.050   0.4882   17.980   0.6472   18.130   0.7310 -0.1435000 0.9763000 
1 1 1  -10   24   14 o   5.7190   1.2650   5.6290   1.7290   5.8100   1.8470 -0.1812000 2.530000 
1 1 1  -10   24   15 o   4.9800   1.2510   4.3550   1.6910   5.6050   1.8440 -1.251000 2.502000 
1 1 1  -10   24   16 o   5.3780   1.2580   4.3890   1.7090   6.3670   1.8470 -1.978000 2.516000 
1 1 1  -10   24   17 o   4.2020   1.2890   3.3100   1.5840   5.0940   2.0340 -1.784000 2.578000 
1 1 1  -10   24   18 o   5.6740   1.4770   6.0290   2.1050   5.3190   2.0720 0.7097000 2.954000 
1 1 1  -10   24   19 o   8.9920   1.0260   9.2430   1.3620   8.7400   1.5360 0.5038000 2.053000 
1 1 1  -10   24   20 o   5.2560   1.3390   5.3020   1.8650   5.2090   1.9230 0.9259000E-01 2.678000 
1 1 1  -10   24   21 o   3.6220   1.1560   4.0500   1.7350   3.1940   1.5270 0.8558000 2.311000 
1 1 1  -10   24   22 o   16.330   0.6856   15.570   0.9623   17.090   0.9769 -1.519000 1.371000 
1 1 1  -10   24   23 o   7.4940   1.3770   7.8880   1.8370   7.1000   2.0530 0.7886000 2.755000 
1 1 1  -10   24   24 o   5.3010   1.4550   5.1410   1.9770   5.4610   2.1370 -0.3200000 2.911000 
1 1 1  -10   24   25 o   4.2800   1.3130   4.7350   1.9440   3.8250   1.7660 0.9097000 2.627000 
1 1 1  -10   24   26 o   3.2810   1.0860   3.5600   1.6140   3.0030   1.4530 0.5569000 2.172000 
1 1 1  -10   24   27 f   2.5710   0.9015   2.5160   1.2510   2.6250   1.2980 -0.1095000 1.803000 
1 1 1  -10   24   28 o   1.2780   0.4719   1.2570   0.6568   1.2980   0.6778 -0.4024000E-01 0.9438000 
1 1 1  -10   26    1 o   18.680   0.5509   19.580   0.8796   17.790   0.6635 1.787000 1.102000 
1 1 1  -10   26    2 o   20.640   0.5188   20.480   0.8610   20.790   0.5791 -0.3070000 1.038000 
1 1 1  -10   26    3 o   11.730   0.7327   11.900   1.0990   11.570   0.9687 0.3274000 1.465000 
1 1 1  -10   26    4 o   8.0830   1.0110   7.0070   1.6070   9.1600   1.2260 -2.153000 2.021000 
1 1 1  -10   26    5 o   13.090   0.6342   12.940   0.8689   13.240   0.9240 -0.3074000 1.268000 
1 1 1  -10   26    6 o   21.970   0.4155   21.750   0.5650   22.190   0.6095 -0.4432000 0.8310000 
1 1 1  -10   26    7 o   9.8340   0.8450   9.6050   1.1580   10.060   1.2310 -0.4585000 1.690000 
1 1 1  -10   26    8 o   13.580   0.6242   13.360   0.8456   13.790   0.9185 -0.4265000 1.248000 
1 1 1  -10   26    9 f   4.7290   1.2090   5.6170   1.7510   3.8400   1.6690 1.777000 2.418000 
1 1 1  -10   26   10 o   5.6590   1.2250   4.3970   1.7200   6.9220   1.7440 -2.525000 2.449000 
1 1 1  -10   26   11 o   3.4840   1.1120   3.3390   1.5130   3.6300   1.6280 -0.2911000 2.223000 
1 1 1  -10   26   12 o   4.6500   1.2420   3.6970   1.6040   5.6040   1.8970 -1.907000 2.484000 
1 1 1  -10   26   13 o   6.1930   1.4410   6.1650   1.9840   6.2210   2.0910 -0.5648000E-01 2.882000 
1 1 1  -10   26   14 o   20.270   0.5632   20.400   0.7431   20.150   0.8464 0.2458000 1.126000 
1 1 1  -10   26   15 o   5.5350   1.3950   6.4780   2.0070   4.5920   1.9390 1.886000 2.790000 
1 1 1  -10   26   16 o   11.640   0.7962   11.830   1.0770   11.450   1.1730 0.3798000 1.592000 
1 1 1  -10   26   17 o   6.1950   1.3200   5.5850   1.8710   6.8040   1.8620 -1.220000 2.640000 
1 1 1  -10   26   18 o   5.0600   1.3220   5.6400   1.8700   4.4810   1.8700 1.159000 2.645000 
1 1 1  -10   26   19 o   8.7990   1.2130   7.4440   1.7990   10.150   1.6260 -2.710000 2.425000 
1 1 1  -10   26   20 o   5.2430   1.4240   4.5400   1.8870   5.9450   2.1330 -1.405000 2.847000 
1 1 1  -10   26   21 o   4.9660   1.3610   5.8390   2.0360   4.0930   1.8050 1.746000 2.721000 
1 1 1  -10   26   22 o   3.6300   1.2000   3.0380   1.4830   4.2230   1.8870 -1.184000 2.400000 
1 1 1  -10   26   23 o   4.6550   1.3380   3.8310   1.6940   5.4780   2.0730 -1.647000 2.677000 
1 1 1  -10   26   24 o   3.6900   1.1670   4.0800   1.7380   3.3010   1.5570 0.7795000 2.334000 
1 1 1  -10   26   25 o   2.9830   1.0160   2.8900   1.4000   3.0770   1.4730 -0.1875000 2.032000 
1 1 1  -10   28    1 o   14.540   0.5934   14.270   0.8456   14.810   0.8328 -0.5343000 1.187000 
1 1 1  -10   28    2 o   13.530   0.6300   13.080   0.9075   13.970   0.8741 -0.8872000 1.260000 
1 1 1  -10   28    3 o   3.7900   1.1580   3.4720   1.5610   4.1080   1.7110 -0.6366000 2.316000 
1 1 1  -10   28    4 o   6.4630   1.3000   5.6270   1.7900   7.2990   1.8850 -1.672000 2.599000 
1 1 1  -10   28    5 o   11.660   0.7751   12.950   0.9119   10.380   1.2540 2.573000 1.550000 
1 1 1  -10   28    6 o   11.960   0.7338   11.680   1.0020   12.240   1.0730 -0.5597000 1.468000 
1 1 1  -10   28    7 o   4.1310   1.2660   3.4630   1.6120   4.7980   1.9540 -1.335000 2.533000 
1 1 1  -10   28    8 o   14.410   0.7310   14.450   0.9950   14.380   1.0710 0.7606000E-01 1.462000 
1 1 1  -10   28    9 o   11.890   0.9155   13.170   1.0790   10.610   1.4790 2.562000 1.831000 
1 1 1  -10   28   10 o   5.4350   1.4200   4.8310   1.9290   6.0390   2.0830 -1.208000 2.839000 
1 1 1  -10   28   11 o   10.080   0.9231   9.1230   1.3790   11.040   1.2270 -1.921000 1.846000 
1 1 1  -10   28   12 o   11.330   0.8037   12.210   0.9966   10.450   1.2610 1.764000 1.607000 
1 1 1  -10   28   13 o   8.7590   1.0650   9.4070   1.3290   8.1100   1.6650 1.297000 2.130000 
1 1 1  -10   28   14 o   3.9150   1.2060   3.7700   1.6570   4.0590   1.7530 -0.2897000 2.413000 
1 1 1  -10   28   15 o   4.8010   1.2850   5.4670   1.8520   4.1360   1.7820 1.331000 2.570000 
1 1 1  -10   28   16 o   10.490   1.0400   10.970   1.3270   10.020   1.6030 0.9438000 2.081000 
1 1 1  -10   28   17 o   3.8880   1.2480   3.7520   1.7120   4.0230   1.8160 -0.2710000 2.495000 
1 1 1  -10   28   18 o   5.0280   1.4120   4.2080   1.8380   5.8490   2.1430 -1.641000 2.823000 
1 1 1  -10   28   19 f   3.8280   1.2380   3.9800   1.7800   3.6760   1.7190 0.3039000 2.475000 
1 1 1  -10   28   20 o   3.0750   1.0460   2.9240   1.4180   3.2270   1.5370 -0.3034000 2.091000 
1 1 1  -10   28   21 f   2.6700   0.9317   2.7610   1.3490   2.5800   1.2850 0.1811000 1.863000 
1 1 1  -10   28   22 o   2.6910   0.9369   2.6470   1.3020   2.7350   1.3480 -0.8744000E-01 1.874000 
1 1 1  -10   28   23 o   2.9720   1.0520   2.6220   1.3350   3.3210   1.6270 -0.6988000 2.105000 
1 1 1  -10   30    1 o   11.230   0.9206   10.170   1.4910   12.290   1.0800 -2.119000 1.841000 
1 1 1  -10   30    2 o   12.270   0.7503   11.810   1.0740   12.720   1.0480 -0.9116000 1.501000 
1 1 1  -10   30    3 o   8.7740   1.0540   9.5250   1.3170   8.0240   1.6470 1.501000 2.109000 
1 1 1  -10   30    4 o   8.7150   1.1480   8.6500   1.4770   8.7800   1.7580 -0.1300000 2.296000 
1 1 1  -10   30    5 o   7.1980   1.1750   9.3590   1.3530   5.0380   1.9210 4.321000 2.349000 
1 1 1  -10   30    6 o   4.0360   1.1580   2.5340   1.2560   5.5370   1.9470 -3.003000 2.317000 
1 1 1  -10   30    7 o   3.3700   1.1080   3.0490   1.4540   3.6920   1.6710 -0.6430000 2.215000 
1 1 1  -10   30    8 o   11.990   0.8131   13.680   0.9359   10.290   1.3300 3.394000 1.626000 
1 1 1  -10   30    9 o   9.4630   0.9829   9.5160   1.3350   9.4100   1.4430 0.1058000 1.966000 
1 1 1  -10   30   10 o   9.1720   1.0940   11.250   1.1270   7.0990   1.8740 4.146000 2.187000 
1 1 1  -10   30   11 o   4.6860   1.3600   4.8610   1.9190   4.5120   1.9270 0.3488000 2.719000 
1 1 1  -10   30   12 o   4.1980   1.2930   3.5710   1.6540   4.8250   1.9870 -1.254000 2.585000 
1 1 1  -10   30   13 o   4.2860   1.2830   3.3810   1.5900   5.1920   2.0140 -1.811000 2.567000 
1 1 1  -10   30   14 o   4.1180   1.2670   3.1380   1.5110   5.0970   2.0330 -1.959000 2.533000 
1 1 1  -10   30   15 o   3.7880   1.2250   3.8420   1.7330   3.7330   1.7320 0.1088000 2.450000 
1 1 1  -10   30   16 o   3.7300   1.2100   3.0700   1.4870   4.3900   1.9090 -1.321000 2.420000 
1 1 1  -10   30   17 o   2.8370   0.9780   2.8360   1.3780   2.8380   1.3880 -0.1680000E-02 1.956000 
1 1 1  -10   30   18 o   3.6370   1.1560   3.8620   1.6850   3.4110   1.5850 0.4511000 2.313000 
1 1 1  -10   30   19 o   3.9590   1.2030   4.3730   1.7760   3.5450   1.6220 0.8277000 2.406000 
1 1 1  -10   30   20 o   2.1770   1.1310  ?   ?    2.1770   1.1310      ?      ? 
1 1 1  -10   32    1 o   3.3260   1.1260   3.0720   1.4950   3.5800   1.6830 -0.5075000 2.251000 
1 1 1  -10   32    2 o   7.1640   1.4260   6.2100   2.0530   8.1180   1.9780 -1.909000 2.851000 
1 1 1  -10   32    3 o   4.2080   1.3170   4.1430   1.8330   4.2740   1.8910 -0.1304000 2.634000 
1 1 1  -10   32    4 o   3.8070   1.2370   3.6330   1.6820   3.9800   1.8140 -0.3472000 2.474000 
1 1 1  -10   32    5 o   9.5840   1.1890   10.140   1.5080   9.0290   1.8380 1.109000 2.378000 
1 1 1  -10   32    6 o   11.370   0.8600   11.660   1.1250   11.080   1.3010 0.5876000 1.720000 
1 1 1  -10   32    7 o   8.5240   1.2230   10.800   1.2300   6.2470   2.1150 4.554000 2.447000 
1 1 1  -10   32    8 o   5.0080   1.3130   6.3110   1.9900   3.7050   1.7140 2.607000 2.626000 
1 1 1  -10   32    9 o   3.3190   1.1170   2.8240   1.3890   3.8130   1.7490 -0.9895000 2.233000 
1 1 1  -10   32   10 o   2.6780   0.9431   2.5810   1.2880   2.7740   1.3780 -0.1927000 1.886000 
1 1 1  -10   32   11 o   3.2940   1.1060   3.3890   1.5910   3.2000   1.5380 0.1890000 2.213000 
1 1 1  -10   32   12 o   3.7070   1.1570   3.0170   1.4430   4.3980   1.8100 -1.381000 2.315000 
1 1 1  -10   32   13 o   3.4140   1.1110   3.2760   1.5220   3.5520   1.6190 -0.2764000 2.222000 
1 1 1  -10   32   14 f   4.0720   1.2130   4.4150   1.7680   3.7300   1.6620 0.6856000 2.426000 
1 1 1  -10   32   15 o   2.3590   0.8361   2.3890   1.1940   2.3290   1.1710 0.6015000E-01 1.672000 
1 1 1  -10   34    1 f   2.7420   0.9496   2.9560   1.4220   2.5270   1.2590 0.4284000 1.899000 
1 1 1  -10   34    2 f   4.0750   1.2050   4.7420   1.8250   3.4080   1.5730 1.334000 2.410000 
1 1 1  -10   34    3 o   3.6010   1.1550   3.8710   1.6810   3.3310   1.5840 0.5405000 2.310000 
1 1 1  -10   34    4 o   2.6220   0.9160   2.4890   1.2380   2.7550   1.3510 -0.2666000 1.832000 
1 1 1  -10   34    5 o   3.5310   1.1350   3.4710   1.5820   3.5900   1.6270 -0.1191000 2.270000 
1 1 1  -10   34    6 o   2.6810   0.9379   3.1650   1.5110   2.1960   1.1120 0.9687000 1.876000 
1 1 1  -10   34    7 o   4.1760   1.1750   5.3410   1.8550   3.0120   1.4410 2.329000 2.350000 
1 1 1  -10   34    8 o   4.0600   1.1840   4.8560   1.8160   3.2650   1.5200 1.592000 2.368000 
1 1 1  -10   34    9 o   2.1950   0.7972   2.4730   1.2560   1.9170   0.9820 0.5565000 1.594000 
1 1 1   -9    1    1 o   77.720   0.6920   77.760   0.9788   77.690   0.9784 0.6814000E-01 1.384000 
1 1 1   -9    1    2 o   55.290   0.3488   55.560   0.4954   55.030   0.4910 0.5313000 0.6975000 
1 1 1   -9    1    3 o   49.660   0.3143   49.500   0.4429   49.820   0.4461 -0.3260000 0.6286000 
1 1 1   -9    1    4 o   90.720   0.5705   90.840   0.8083   90.590   0.8053 0.2535000 1.141000 
1 1 1   -9    1    5 o   65.140   0.5817   64.990   0.8206   65.290   0.8248 -0.2954000 1.163000 
1 1 1   -9    1    6 o   45.800   0.3394   45.980   0.4813   45.610   0.4788 0.3712000 0.6788000 
1 1 1   -9    1    7 o  109.000   0.6854  109.500   0.9735  108.500   0.9650 1.008000 1.371000 
1 1 1   -9    1    8 o   22.470   0.1853   22.570   0.2625   22.370   0.2615 0.1957000 0.3705000 
1 1 1   -9    1    9 o   29.010   0.2127   29.090   0.3015   28.940   0.3003 0.1518000 0.4255000 
1 1 1   -9    1   10 o   36.700   0.2908   36.800   0.4106   36.600   0.4120 0.1942000 0.5817000 
1 1 1   -9    1   11 o   49.520   0.4590   49.780   0.6524   49.270   0.6458 0.5107000 0.9180000 
1 1 1   -9    1   12 o   33.020   0.2420   32.990   0.3415   33.050   0.3429 -0.6895000E-01 0.4840000 
1 1 1   -9    1   13 o   26.080   0.2285   26.030   0.3214   26.130   0.3249 -0.1021000 0.4570000 
1 1 1   -9    1   14 o   32.560   0.2513   32.560   0.3565   32.550   0.3541 0.9583000E-02 0.5025000 
1 1 1   -9    1   15 o   62.330   0.4060   62.260   0.5736   62.390   0.5749 -0.1330000 0.8121000 
1 1 1   -9    1   16 o   39.170   0.2955   39.140   0.4175   39.190   0.4183 -0.5347000E-01 0.5910000 
1 1 1   -9    1   17 o   34.690   0.2930   34.560   0.4123   34.820   0.4163 -0.2530000 0.5860000 
1 1 1   -9    1   18 o   12.440   0.5044   12.800   0.7034   12.090   0.7233 0.7159000 1.009000 
1 1 1   -9    1   19 f   20.500   0.4353   21.200   0.6094   19.800   0.6217 1.409000 0.8705000 
1 1 1   -9    1   20 o   15.240   0.6844   15.790   0.9106   14.690   1.0220 1.103000 1.369000 
1 1 1   -9    1   21 o   39.130   0.3329   39.450   0.4710   38.810   0.4706 0.6416000 0.6659000 
1 1 1   -9    1   22 o   45.940   0.3515   46.110   0.4989   45.770   0.4953 0.3454000 0.7030000 
1 1 1   -9    1   23 o   46.190   0.3499   45.930   0.4898   46.460   0.4999 -0.5267000 0.6998000 
1 1 1   -9    1   24 o   14.740   0.7680   14.710   1.0960   14.770   1.0770 -0.5882000E-01 1.536000 
1 1 1   -9    1   25 o   18.560   0.4777   17.840   0.7045   19.280   0.6455 -1.436000 0.9555000 
1 1 1   -9    1   26 o   18.060   0.4073   17.710   0.5787   18.400   0.5733 -0.6863000 0.8146000 
1 1 1   -9    1   27 o   13.280   0.5204   13.070   0.7371   13.490   0.7349 -0.4141000 1.041000 
1 1 1   -9    1   28 o   16.770   0.4345   16.640   0.6273   16.890   0.6015 -0.2503000 0.8691000 
1 1 1   -9    1   29 o   20.080   0.3875   19.910   0.5509   20.260   0.5452 -0.3506000 0.7751000 
1 1 1   -9    1   30 o   10.820   0.6878   10.960   0.9383   10.670   1.0060 0.2976000 1.376000 
1 1 1   -9    1   31 o   3.9710   1.1620   4.1510   1.6800   3.7910   1.6070 0.3598000 2.325000 
1 1 1   -9    1   32 o   7.4470   1.4270   7.5860   1.9920   7.3080   2.0440 0.2785000 2.854000 
1 1 1   -9    1   33 o   4.8990   1.2940   5.4210   1.8640   4.3780   1.7960 1.043000 2.589000 
1 1 1   -9    1   34 o   7.4560   1.2530   5.8190   1.9620   9.0930   1.5580 -3.275000 2.505000 
1 1 1   -9    1   35 o   10.320   0.9797   9.5270   1.4900   11.120   1.2720 -1.589000 1.959000 
1 1 1   -9    1   36 o   4.0890   1.3600   3.6860   1.7770   4.4920   2.0590 -0.8058000 2.720000 
1 1 1   -9    1   37 o   4.0140   1.2340   4.4310   1.8340   3.5960   1.6510 0.8352000 2.468000 
1 1 1   -9    1   38 o   2.1690   1.1170   2.1690   1.1170  ?   ?       ?      ? 
1 1 1   -9    3    1 o   45.090   0.3322   44.980   0.4689   45.200   0.4708 -0.2164000 0.6645000 
1 1 1   -9    3    2 o   40.540   0.3381   40.120   0.5214   40.950   0.4306 -0.8370000 0.6762000 
1 1 1   -9    3    3 o   46.710   0.3455   46.000   0.4817   47.430   0.4954 -1.427000 0.6910000 
1 1 1   -9    3    4 o   35.470   0.2355   35.230   0.3311   35.700   0.3350 -0.4726000 0.4710000 
1 1 1   -9    3    5 f   97.590   0.7095   97.520   1.0020   97.670   1.0040 -0.1510000 1.419000 
1 1 1   -9    3    6 o   53.970   0.3996   53.960   0.5646   53.970   0.5656 -0.1348000E-01 0.7991000 
1 1 1   -9    3    7 o  117.500   0.7399  117.900   1.0500  117.200   1.0430 0.7164000 1.480000 
1 1 1   -9    3    8 o   40.110   0.2685   40.480   0.3823   39.740   0.3770 0.7427000 0.5369000 
1 1 1   -9    3    9 o   36.760   0.2536   37.150   0.3609   36.380   0.3564 0.7675000 0.5072000 
1 1 1   -9    3   10 o   44.080   0.3398   44.080   0.4792   44.080   0.4817 0.3510000E-03 0.6795000 
1 1 1   -9    3   11 o   10.570   0.3717   10.220   0.5424   10.920   0.5083 -0.6928000 0.7433000 
1 1 1   -9    3   12 o   18.640   0.2344   18.550   0.3305   18.730   0.3324 -0.1840000 0.4688000 
1 1 1   -9    3   13 o   35.190   0.2588   35.180   0.3664   35.190   0.3656 -0.1392000E-01 0.5176000 
1 1 1   -9    3   14 o   40.710   0.2875   40.710   0.4069   40.700   0.4062 0.6344000E-02 0.5749000 
1 1 1   -9    3   15 o   26.000   0.2959   25.680   0.4156   26.320   0.4214 -0.6417000 0.5919000 
1 1 1   -9    3   16 o  100.700   0.6404  100.700   0.9052  100.800   0.9062 -0.8422000E-01 1.281000 
1 1 1   -9    3   17 o   66.940   0.4399   66.750   0.6197   67.130   0.6245 -0.3764000 0.8798000 
1 1 1   -9    3   18 o   56.040   0.3836   55.780   0.5385   56.290   0.5465 -0.5109000 0.7672000 
1 1 1   -9    3   19 o   29.010   0.4964   26.980   0.7564   31.050   0.6430 -4.065000 0.9928000 
1 1 1   -9    3   20 o   39.260   0.3799   38.830   0.5190   39.700   0.5550 -0.8734000 0.7598000 
1 1 1   -9    3   21 o   27.020   0.3451   27.150   0.4773   26.890   0.4986 0.2623000 0.6903000 
1 1 1   -9    3   22 o   38.620   0.3311   38.020   0.4691   39.220   0.4673 -1.207000 0.6621000 
1 1 1   -9    3   23 o   17.010   0.4521   16.860   0.6243   17.170   0.6542 -0.3093000 0.9043000 
1 1 1   -9    3   24 o   11.640   0.9381   11.580   1.3130   11.710   1.3400 -0.1240000 1.876000 
1 1 1   -9    3   25 o   42.650   0.3904   42.850   0.5563   42.450   0.5479 0.3934000 0.7809000 
1 1 1   -9    3   26 o   20.290   0.3761   20.320   0.5268   20.260   0.5369 0.5900000E-01 0.7522000 
1 1 1   -9    3   27 o   19.260   0.3910   19.180   0.5459   19.340   0.5598 -0.1644000 0.7819000 
1 1 1   -9    3   28 o   11.920   0.5971   12.160   0.8128   11.670   0.8749 0.4887000 1.194000 
1 1 1   -9    3   29 o   10.910   0.6592   10.310   0.9606   11.510   0.9031 -1.198000 1.318000 
1 1 1   -9    3   30 o   4.3000   1.1720   3.9570   1.5950   4.6430   1.7170 -0.6859000 2.344000 
1 1 1   -9    3   31 o   9.0130   0.8968   9.2100   1.1900   8.8160   1.3420 0.3937000 1.794000 
1 1 1   -9    3   32 o   8.3580   1.3590   7.5720   2.0020   9.1450   1.8390 -1.572000 2.719000 
1 1 1   -9    3   33 o   12.080   0.7654   12.890   0.9635   11.270   1.1890 1.618000 1.531000 
1 1 1   -9    3   34 o   5.4160   1.3760   5.5650   1.9370   5.2680   1.9550 0.2968000 2.752000 
1 1 1   -9    3   35 o   5.8740   1.3900   5.6780   1.9640   6.0710   1.9680 -0.3933000 2.780000 
1 1 1   -9    3   36 o   3.3230   1.1620   3.3010   1.6290   3.3450   1.6560 -0.4368000E-01 2.323000 
1 1 1   -9    3   37 o   2.5880   0.9131   2.2880   1.1590   2.8870   1.4120 -0.5993000 1.826000 
1 1 1   -9    5    1 o  174.600   1.0970  174.300   1.5480  174.900   1.5540 -0.5259000 2.193000 
1 1 1   -9    5    2 o  100.100   0.7279  100.100   1.0290  100.100   1.0300 -0.1457000E-01 1.456000 
1 1 1   -9    5    3 o   30.310   0.2852   29.840   0.3585   30.780   0.4437 -0.9313000 0.5704000 
1 1 1   -9    5    4 o   73.150   0.5362   73.600   0.7630   72.700   0.7536 0.8956000 1.072000 
1 1 1   -9    5    5 o  114.700   0.7223  115.300   1.0270  114.100   1.0160 1.197000 1.445000 
1 1 1   -9    5    6 o   89.340   0.5650   90.050   0.8053   88.630   0.7928 1.419000 1.130000 
1 1 1   -9    5    7 o   28.450   0.2548   29.090   0.3613   27.810   0.3593 1.281000 0.5096000 
1 1 1   -9    5    8 o   53.110   0.3993   53.330   0.5665   52.890   0.5628 0.4345000 0.7986000 
1 1 1   -9    5    9 f   54.740   0.4111   55.100   0.5845   54.370   0.5783 0.7302000 0.8222000 
1 1 1   -9    5   10 o   53.530   0.4052   53.510   0.5729   53.560   0.5731 -0.5055000E-01 0.8104000 
1 1 1   -9    5   11 o   38.940   0.3509   38.540   0.5387   39.340   0.4498 -0.8021000 0.7018000 
1 1 1   -9    5   12 o   14.800   0.2903   14.230   0.4183   15.370   0.4026 -1.135000 0.5805000 
1 1 1   -9    5   13 o   57.080   0.3752   57.030   0.5301   57.120   0.5312 -0.8407000E-01 0.7504000 
1 1 1   -9    5   14 o   26.030   0.2567   25.740   0.3616   26.320   0.3644 -0.5834000 0.5134000 
1 1 1   -9    5   15 o   15.380   0.3587   15.930   0.4789   14.820   0.5341 1.112000 0.7174000 
1 1 1   -9    5   16 o   53.520   0.3664   53.390   0.5160   53.660   0.5204 -0.2700000 0.7329000 
1 1 1   -9    5   17 o   60.160   0.4038   59.990   0.5693   60.340   0.5727 -0.3452000 0.8075000 
1 1 1   -9    5   18 o   70.920   0.5408   70.600   0.7628   71.240   0.7669 -0.6412000 1.082000 
1 1 1   -9    5   19 o   41.080   0.4659   41.380   0.6588   40.780   0.6590 0.5949000 0.9318000 
1 1 1   -9    5   20 o   24.950   0.4002   25.040   0.5481   24.860   0.5833 0.1744000 0.8004000 
1 1 1   -9    5   21 o   38.780   0.3334   38.870   0.4694   38.690   0.4735 0.1745000 0.6667000 
1 1 1   -9    5   22 o   19.280   0.4138   19.000   0.5801   19.560   0.5902 -0.5531000 0.8276000 
1 1 1   -9    5   23 o   13.350   0.6702   14.460   0.7656   12.240   1.1000 2.213000 1.340000 
1 1 1   -9    5   24 o   24.470   0.5116   24.780   0.6938   24.170   0.7521 0.6097000 1.023000 
1 1 1   -9    5   25 o   11.570   0.6082   12.340   0.7788   10.800   0.9345 1.539000 1.216000 
1 1 1   -9    5   26 f   16.250   0.4271   15.610   0.5985   16.890   0.6093 -1.277000 0.8541000 
1 1 1   -9    5   27 o   18.490   0.4051   18.970   0.5513   18.000   0.5937 0.9681000 0.8101000 
1 1 1   -9    5   28 o   18.020   0.4164   17.950   0.5872   18.080   0.5906 -0.1237000 0.8328000 
1 1 1   -9    5   29 o   17.540   0.4346   17.930   0.5954   17.140   0.6332 0.7907000 0.8691000 
1 1 1   -9    5   30 o   4.4320   1.1760   4.4980   1.6490   4.3660   1.6760 0.1311000 2.351000 
1 1 1   -9    5   31 o   5.4190   1.2870   6.5380   1.8640   4.3010   1.7740 2.237000 2.573000 
1 1 1   -9    5   32 o   8.9090   1.8460   8.9090   1.8460  ?   ?       ?      ? 
1 1 1   -9    5   33 o   8.8240   1.0560   8.7680   1.5220   8.8790   1.4650 -0.1110000 2.113000 
1 1 1   -9    5   34 o   4.7830   1.3070   3.8690   1.7050   5.6970   1.9810 -1.828000 2.614000 
1 1 1   -9    5   35 o   5.8150   1.4010   5.6780   1.9340   5.9520   2.0270 -0.2736000 2.801000 
1 1 1   -9    5   36 o   5.2080   1.4960   3.8300   1.8100   6.5860   2.3820 -2.755000 2.992000 
1 1 1   -9    5   37 o   2.2860   0.8208   2.5330   1.2680   2.0400   1.0430 0.4934000 1.642000 
1 1 1   -9    7    1 f   61.940   0.3971   62.080   0.5628   61.800   0.5605 0.2866000 0.7943000 
1 1 1   -9    7    2 o   60.280   0.3876   60.830   0.5530   59.740   0.5434 1.085000 0.7753000 
1 1 1   -9    7    3 o   75.100   0.4777   75.390   0.6780   74.810   0.6730 0.5868000 0.9553000 
1 1 1   -9    7    4 o   57.550   0.3727   57.850   0.5295   57.250   0.5247 0.6010000 0.7454000 
1 1 1   -9    7    5 f   26.150   0.2965   25.690   0.4622   26.620   0.3714 -0.9300000 0.5929000 
1 1 1   -9    7    6 o   54.610   0.4121   54.590   0.5829   54.630   0.5827 -0.4008000E-01 0.8242000 
1 1 1   -9    7    7 o   33.210   0.2880   33.300   0.4059   33.120   0.4085 0.1783000 0.5759000 
1 1 1   -9    7    8 o   63.000   0.4080   63.040   0.5771   62.960   0.5769 0.7566000E-01 0.8160000 
1 1 1   -9    7    9 o   69.600   0.5175   69.360   0.7298   69.840   0.7339 -0.4831000 1.035000 
1 1 1   -9    7   10 o   39.220   0.3242   39.430   0.4604   39.010   0.4566 0.4225000 0.6484000 
1 1 1   -9    7   11 o   13.050   0.3500   13.130   0.4849   12.980   0.5049 0.1539000 0.7001000 
1 1 1   -9    7   12 o   45.430   0.3151   45.460   0.4445   45.400   0.4469 0.5846000E-01 0.6303000 
1 1 1   -9    7   13 o   42.960   0.3070   43.090   0.4342   42.830   0.4342 0.2545000 0.6140000 
1 1 1   -9    7   14 o   72.210   0.4683   72.040   0.6600   72.380   0.6645 -0.3370000 0.9366000 
1 1 1   -9    7   15 o   26.920   0.2901   27.120   0.4071   26.730   0.4133 0.3887000 0.5801000 
1 1 1   -9    7   16 o   20.170   0.3425   20.020   0.4738   20.320   0.4946 -0.2999000 0.6849000 
1 1 1   -9    7   17 o   50.740   0.4215   50.390   0.5916   51.080   0.6006 -0.6887000 0.8431000 
1 1 1   -9    7   18 o   42.100   0.3969   42.350   0.5592   41.860   0.5634 0.4890000 0.7938000 
1 1 1   -9    7   19 o   16.690   0.5321   16.360   0.7197   17.010   0.7839 -0.6468000 1.064000 
1 1 1   -9    7   20 o   42.520   0.3437   42.300   0.4811   42.740   0.4910 -0.4341000 0.6874000 
1 1 1   -9    7   21 o   24.280   0.3706   23.970   0.5129   24.600   0.5351 -0.6267000 0.7412000 
1 1 1   -9    7   22 o   23.070   0.3664   22.840   0.5095   23.300   0.5266 -0.4655000 0.7327000 
1 1 1   -9    7   23 o   20.580   0.4570   21.300   0.5755   19.850   0.7100 1.448000 0.9140000 
1 1 1   -9    7   24 o   24.900   0.3991   24.950   0.5620   24.850   0.5667 0.1017000 0.7981000 
1 1 1   -9    7   25 o   11.750   0.6028   12.130   0.7744   11.370   0.9239 0.7599000 1.206000 
1 1 1   -9    7   26 o   9.9630   0.6932   9.4340   0.9947   10.490   0.9657 -1.058000 1.386000 
1 1 1   -9    7   27 o   14.060   0.5024   13.770   0.6923   14.340   0.7281 -0.5702000 1.005000 
1 1 1   -9    7   28 o   12.670   0.5670   13.310   0.7206   12.030   0.8757 1.277000 1.134000 
1 1 1   -9    7   29 o   17.880   0.4353   17.470   0.6105   18.290   0.6208 -0.8163000 0.8707000 
1 1 1   -9    7   30 o   4.8210   1.1970   4.0420   1.6210   5.6000   1.7630 -1.558000 2.395000 
1 1 1   -9    7   31 o   7.0530   1.2910   7.9580   1.7260   6.1480   1.9210 1.811000 2.582000 
1 1 1   -9    7   32 o   6.2820   1.4040   6.2490   1.9060   6.3140   2.0610 -0.6479000E-01 2.808000 
1 1 1   -9    7   33 o   5.0050   1.3390   4.9080   1.8770   5.1020   1.9120 -0.1936000 2.679000 
1 1 1   -9    7   34 o   3.9390   1.2240   4.3050   1.8010   3.5730   1.6570 0.7319000 2.448000 
1 1 1   -9    7   35 o   8.5490   1.3510   9.6350   1.6590   7.4630   2.1320 2.173000 2.701000 
1 1 1   -9    7   36 o   3.8580   1.2560   3.8560   1.7730   3.8600   1.7800 -0.4563000E-02 2.512000 
1 1 1   -9    7   37 o   2.9490   1.0120   2.9280   1.4270   2.9700   1.4360 -0.4221000E-01 2.025000 
1 1 1   -9    9    1 o   53.550   0.4055   54.010   0.5778   53.100   0.5691 0.9155000 0.8110000 
1 1 1   -9    9    2 o   19.730   0.2865   20.080   0.4018   19.380   0.4085 0.6914000 0.5730000 
1 1 1   -9    9    3 o   41.270   0.2876   40.980   0.4052   41.550   0.4084 -0.5757000 0.5753000 
1 1 1   -9    9    4 o   49.590   0.3322   49.590   0.4696   49.590   0.4699 0.1564000E-03 0.6644000 
1 1 1   -9    9    5 o   29.840   0.2514   30.150   0.3578   29.530   0.3531 0.6176000 0.5027000 
1 1 1   -9    9    6 o   39.110   0.3270   38.970   0.4628   39.250   0.4622 -0.2804000 0.6540000 
1 1 1   -9    9    7 o   30.760   0.2974   30.620   0.4230   30.900   0.4182 -0.2871000 0.5948000 
1 1 1   -9    9    8 o   51.090   0.3966   51.350   0.5628   50.830   0.5589 0.5203000 0.7931000 
1 1 1   -9    9    9 o   7.8920   0.6048   7.0540   0.9273   8.7290   0.7766 -1.676000 1.210000 
1 1 1   -9    9   10 f   69.660   0.4516   69.740   0.6390   69.580   0.6382 0.1616000 0.9031000 
1 1 1   -9    9   11 o   77.300   0.4977   77.440   0.7046   77.160   0.7030 0.2837000 0.9953000 
1 1 1   -9    9   12 f   41.970   0.3082   41.900   0.4338   42.030   0.4380 -0.1289000 0.6165000 
1 1 1   -9    9   13 o   81.160   0.5234   81.700   0.7447   80.620   0.7357 1.083000 1.047000 
1 1 1   -9    9   14 o   30.900   0.2992   31.220   0.4183   30.570   0.4277 0.6497000 0.5983000 
1 1 1   -9    9   15 o   63.870   0.4268   63.660   0.6008   64.090   0.6063 -0.4210000 0.8536000 
1 1 1   -9    9   16 o   36.930   0.3805   36.500   0.5301   37.370   0.5459 -0.8713000 0.7609000 
1 1 1   -9    9   17 o   7.3890   1.0820   7.0210   1.5420   7.7570   1.5190 -0.7363000 2.165000 
1 1 1   -9    9   18 o   68.390   0.5257   68.540   0.7410   68.240   0.7459 0.3041000 1.051000 
1 1 1   -9    9   19 o   24.080   0.4111   23.480   0.5400   24.690   0.6200 -1.212000 0.8222000 
1 1 1   -9    9   20 o   49.960   0.3984   50.410   0.5240   49.510   0.6003 0.9003000 0.7969000 
1 1 1   -9    9   21 o   23.590   0.4024   24.420   0.5688   22.750   0.5693 1.676000 0.8047000 
1 1 1   -9    9   22 o   22.740   0.4603   22.390   0.6386   23.090   0.6632 -0.7051000 0.9206000 
1 1 1   -9    9   23 o   15.390   0.5687   15.560   0.7816   15.220   0.8263 0.3490000 1.137000 
1 1 1   -9    9   24 o   21.660   0.3850   21.990   0.5126   21.320   0.5745 0.6691000 0.7699000 
1 1 1   -9    9   25 o   8.0150   0.8881   7.9020   1.1870   8.1270   1.3220 -0.2249000 1.776000 
1 1 1   -9    9   26 o   15.580   0.4703   15.230   0.6471   15.930   0.6826 -0.7067000 0.9406000 
1 1 1   -9    9   27 o   16.850   0.4482   16.400   0.6174   17.300   0.6498 -0.9001000 0.8963000 
1 1 1   -9    9   28 o   10.190   0.7420   10.640   0.9436   9.7270   1.1450 0.9162000 1.484000 
1 1 1   -9    9   29 o   14.530   0.5382   14.100   0.7394   14.960   0.7821 -0.8601000 1.076000 
1 1 1   -9    9   30 o   16.020   0.6158   15.560   0.8916   16.490   0.8497 -0.9311000 1.232000 
1 1 1   -9    9   31 o   4.6550   1.2760   5.3980   1.8580   3.9120   1.7500 1.487000 2.552000 
1 1 1   -9    9   32 o   7.5540   1.2430   6.8560   1.9090   8.2520   1.5930 -1.396000 2.487000 
1 1 1   -9    9   33 f   6.6970   1.3250   7.5570   1.7440   5.8380   1.9960 1.719000 2.651000 
1 1 1   -9    9   34 o   7.2800   1.3680   5.0060   2.0040   9.5540   1.8630 -4.548000 2.736000 
1 1 1   -9    9   35 o   3.1630   1.0960   3.2690   1.5830   3.0570   1.5150 0.2124000 2.191000 
1 1 1   -9    9   36 o   3.8000   1.2280   3.2720   1.5710   4.3280   1.8870 -1.056000 2.456000 
1 1 1   -9   11    1 o   39.410   0.3308   39.700   0.4686   39.110   0.4670 0.5840000 0.6615000 
1 1 1   -9   11    2 o   14.830   0.3909   14.830   0.5483   14.840   0.5574 -0.1584000E-01 0.7819000 
1 1 1   -9   11    3 o   21.460   0.3507   21.250   0.5432   21.680   0.4436 -0.4290000 0.7014000 
1 1 1   -9   11    4 o   46.180   0.3700   45.970   0.5199   46.390   0.5264 -0.4208000 0.7399000 
1 1 1   -9   11    5 o   49.730   0.3388   49.310   0.4748   50.140   0.4835 -0.8303000 0.6776000 
1 1 1   -9   11    6 f   32.280   0.3513   31.800   0.5450   32.770   0.4436 -0.9683000 0.7027000 
1 1 1   -9   11    7 o   41.310   0.3039   41.090   0.4288   41.530   0.4307 -0.4350000 0.6077000 
1 1 1   -9   11    8 o   18.830   0.3239   18.960   0.4541   18.690   0.4621 0.2661000 0.6478000 
1 1 1   -9   11    9 o   36.300   0.2914   36.310   0.4102   36.290   0.4141 0.1669000E-01 0.5829000 
1 1 1   -9   11   10 o   60.330   0.4029   60.180   0.5677   60.490   0.5718 -0.3100000 0.8058000 
1 1 1   -9   11   11 o   75.610   0.4915   75.750   0.6957   75.480   0.6946 0.2707000 0.9831000 
1 1 1   -9   11   12 f  111.600   0.7102  111.300   1.0010  111.900   1.0070 -0.6040000 1.420000 
1 1 1   -9   11   13 o   84.070   0.5441   84.120   0.7688   84.030   0.7702 0.9192000E-01 1.088000 
1 1 1   -9   11   14 o   37.690   0.3833   37.550   0.5373   37.830   0.5469 -0.2762000 0.7667000 
1 1 1   -9   11   15 o   39.440   0.3970   39.510   0.5555   39.370   0.5673 0.1436000 0.7940000 
1 1 1   -9   11   16 o   13.450   0.6376   14.160   0.8100   12.740   0.9848 1.419000 1.275000 
1 1 1   -9   11   17 o   39.500   0.3836   39.760   0.5314   39.230   0.5532 0.5306000 0.7671000 
1 1 1   -9   11   18 o   33.730   0.3463   33.820   0.4827   33.640   0.4966 0.1838000 0.6925000 
1 1 1   -9   11   19 o   6.1180   1.1990   5.7530   1.6890   6.4840   1.7030 -0.7319000 2.399000 
1 1 1   -9   11   20 o   14.530   0.6342   14.480   0.8237   14.570   0.9646 -0.9476000E-01 1.268000 
1 1 1   -9   11   21 o   19.910   0.4949   19.730   0.6459   20.090   0.7500 -0.3605000 0.9898000 
1 1 1   -9   11   22 o   42.050   0.3920   41.840   0.5539   42.250   0.5549 -0.4047000 0.7841000 
1 1 1   -9   11   23 o   19.700   0.4706   20.340   0.6493   19.050   0.6813 1.287000 0.9412000 
1 1 1   -9   11   24 o   17.970   0.4224   18.390   0.5572   17.550   0.6348 0.8461000 0.8447000 
1 1 1   -9   11   25 o   25.310   0.3463   25.280   0.4712   25.340   0.5075 -0.5769000E-01 0.6926000 
1 1 1   -9   11   26 o   17.310   0.4485   17.400   0.5999   17.220   0.6668 0.1800000 0.8969000 
1 1 1   -9   11   27 o   22.620   0.3776   22.230   0.5172   23.020   0.5503 -0.7826000 0.7552000 
1 1 1   -9   11   28 o   14.500   0.5438   14.310   0.7266   14.680   0.8092 -0.3680000 1.088000 
1 1 1   -9   11   29 o   9.2590   1.0430   9.4500   1.4160   9.0670   1.5310 0.3821000 2.085000 
1 1 1   -9   11   30 o   8.0480   1.0840   8.7500   1.2960   7.3450   1.7370 1.405000 2.168000 
1 1 1   -9   11   31 o   5.5080   1.3120   3.9850   1.7070   7.0310   1.9930 -3.045000 2.624000 
1 1 1   -9   11   32 o   3.6710   1.1430   2.7680   1.3480   4.5740   1.8460 -1.806000 2.286000 
1 1 1   -9   11   33 o   4.5780   1.2700   5.5490   1.9290   3.6070   1.6540 1.942000 2.541000 
1 1 1   -9   11   34 o   4.6310   1.3450   3.1950   1.5430   6.0680   2.2030 -2.872000 2.690000 
1 1 1   -9   11   35 o   3.7840   1.2260   4.3140   1.8780   3.2540   1.5750 1.060000 2.451000 
1 1 1   -9   11   36 o   2.1970   0.7890   2.0900   1.0660   2.3050   1.1640 -0.2149000 1.578000 
1 1 1   -9   13    1 o   18.110   0.3262   18.050   0.4616   18.170   0.4611 -0.1118000 0.6524000 
1 1 1   -9   13    2 o   69.460   0.4511   69.570   0.6392   69.340   0.6366 0.2283000 0.9022000 
1 1 1   -9   13    3 o   23.510   0.2894   23.960   0.4074   23.050   0.4111 0.9106000 0.5788000 
1 1 1   -9   13    4 o   74.620   0.4828   74.280   0.6795   74.960   0.6862 -0.6795000 0.9657000 
1 1 1   -9   13    5 o   44.660   0.3482   43.200   0.5133   46.120   0.4707 -2.916000 0.6964000 
1 1 1   -9   13    6 o   65.930   0.4342   65.730   0.6114   66.130   0.6166 -0.3950000 0.8683000 
1 1 1   -9   13    7 o  101.200   0.6454  101.000   0.9105  101.400   0.9149 -0.3802000 1.291000 
1 1 1   -9   13    8 o   44.700   0.3831   43.800   0.5305   45.600   0.5527 -1.795000 0.7661000 
1 1 1   -9   13    9 o  121.700   0.7735  121.300   1.0890  122.100   1.0990 -0.8602000 1.547000 
1 1 1   -9   13   10 o   27.810   0.3214   27.960   0.4485   27.660   0.4604 0.2920000 0.6428000 
1 1 1   -9   13   11 o   26.160   0.3381   26.410   0.4669   25.910   0.4892 0.5045000 0.6763000 
1 1 1   -9   13   12 o   42.170   0.4023   41.920   0.5620   42.420   0.5757 -0.4958000 0.8046000 
1 1 1   -9   13   13 o   27.850   0.4326   28.110   0.6020   27.600   0.6213 0.5109000 0.8651000 
1 1 1   -9   13   14 o   39.450   0.3498   39.290   0.4894   39.600   0.4999 -0.3090000 0.6996000 
1 1 1   -9   13   15 o   43.020   0.4043   43.210   0.5614   42.830   0.5820 0.3830000 0.8087000 
1 1 1   -9   13   16 o   26.010   0.4182   25.870   0.5655   26.150   0.6163 -0.2757000 0.8364000 
1 1 1   -9   13   17 o   31.900   0.3508   31.920   0.4862   31.880   0.5059 0.3894000E-01 0.7017000 
1 1 1   -9   13   18 o   32.740   0.3463   33.150   0.4717   32.340   0.5073 0.8100000 0.6927000 
1 1 1   -9   13   19 o   33.030   0.3900   32.490   0.5267   33.570   0.5753 -1.077000 0.7800000 
1 1 1   -9   13   20 o   24.240   0.3694   24.420   0.4977   24.060   0.5460 0.3593000 0.7388000 
1 1 1   -9   13   21 o   21.980   0.4444   21.790   0.6229   22.180   0.6341 -0.3941000 0.8888000 
1 1 1   -9   13   22 o   7.7620   1.1210   8.6780   1.3610   6.8460   1.7810 1.832000 2.242000 
1 1 1   -9   13   23 o   15.640   0.4866   16.130   0.6301   15.150   0.7416 0.9833000 0.9732000 
1 1 1   -9   13   24 o   13.440   0.5619   13.370   0.7497   13.520   0.8370 -0.1494000 1.124000 
1 1 1   -9   13   25 o   7.3440   1.0200   7.9920   1.2210   6.6970   1.6350 1.295000 2.041000 
1 1 1   -9   13   26 o   17.380   0.4522   17.150   0.6035   17.600   0.6736 -0.4494000 0.9044000 
1 1 1   -9   13   27 o   4.7140   1.2170   4.3440   1.6650   5.0850   1.7750 -0.7410000 2.434000 
1 1 1   -9   13   28 o   9.9120   1.0280   8.7060   1.6210   11.120   1.2650 -2.411000 2.057000 
1 1 1   -9   13   29 o   4.5610   1.2540   4.5650   1.7250   4.5560   1.8210 0.8777000E-02 2.508000 
1 1 1   -9   13   30 o   5.1810   1.3680   5.4360   1.9020   4.9270   1.9650 0.5096000 2.735000 
1 1 1   -9   13   31 o   4.0370   1.2200   3.2720   1.5290   4.8020   1.9020 -1.530000 2.440000 
1 1 1   -9   13   32 o   3.5740   1.1430   4.2250   1.7860   2.9240   1.4260 1.301000 2.286000 
1 1 1   -9   13   33 o   3.1020   1.0740   2.9320   1.4440   3.2720   1.5910 -0.3392000 2.149000 
1 1 1   -9   13   34 o   3.6960   1.1920   2.8280   1.3970   4.5630   1.9310 -1.735000 2.384000 
1 1 1   -9   13   35 o   2.4980   0.8858   2.7340   1.3440   2.2620   1.1540 0.4722000 1.772000 
1 1 1   -9   15    1 o   39.550   0.3129   39.320   0.4405   39.770   0.4445 -0.4499000 0.6259000 
1 1 1   -9   15    2 o   28.640   0.3055   28.360   0.4294   28.920   0.4347 -0.5575000 0.6111000 
1 1 1   -9   15    3 o   37.780   0.3115   37.720   0.4375   37.840   0.4435 -0.1173000 0.6230000 
1 1 1   -9   15    4 o  117.800   0.8096  117.400   1.0560  118.100   1.2280 -0.7088000 1.619000 
1 1 1   -9   15    5 o   69.710   0.4606   70.120   0.6526   69.300   0.6501 0.8221000 0.9211000 
1 1 1   -9   15    6 o   92.240   0.5929   92.080   0.8362   92.400   0.8408 -0.3220000 1.186000 
1 1 1   -9   15    7 o   73.900   0.4862   74.400   0.6891   73.410   0.6860 0.9985000 0.9723000 
1 1 1   -9   15    8 o   97.370   0.7227   97.510   1.0220   97.230   1.0220 0.2797000 1.445000 
1 1 1   -9   15    9 o   46.710   0.4189   46.570   0.5860   46.840   0.5987 -0.2781000 0.8377000 
1 1 1   -9   15   10 o   67.450   0.5301   66.700   0.7408   68.200   0.7585 -1.495000 1.060000 
1 1 1   -9   15   11 o   66.930   0.4564   66.870   0.6443   66.980   0.6466 -0.1064000 0.9128000 
1 1 1   -9   15   12 o   70.440   0.4758   70.090   0.6694   70.800   0.6764 -0.7057000 0.9517000 
1 1 1   -9   15   13 o   4.7170   1.2900   3.7640   1.6690   5.6690   1.9670 -1.905000 2.580000 
1 1 1   -9   15   14 o   32.270   0.3956   31.640   0.5482   32.900   0.5705 -1.264000 0.7912000 
1 1 1   -9   15   15 o   47.950   0.3726   48.110   0.5238   47.790   0.5299 0.3166000 0.7451000 
1 1 1   -9   15   16 o   18.790   0.4673   18.510   0.6357   19.070   0.6851 -0.5564000 0.9346000 
1 1 1   -9   15   17 o   13.560   0.7340   13.520   0.9395   13.590   1.1280 -0.7542000E-01 1.468000 
1 1 1   -9   15   18 o   14.740   0.6515   15.150   0.8213   14.340   1.0120 0.8082000 1.303000 
1 1 1   -9   15   19 o   30.690   0.3478   30.650   0.4759   30.740   0.5073 -0.9360000E-01 0.6956000 
1 1 1   -9   15   20 o   33.930   0.3909   33.600   0.5481   34.260   0.5574 -0.6594000 0.7817000 
1 1 1   -9   15   21 o   15.960   0.4882   16.270   0.6559   15.640   0.7234 0.6293000 0.9765000 
1 1 1   -9   15   22 o   7.9310   0.9498   7.6850   1.3160   8.1780   1.3700 -0.4929000 1.900000 
1 1 1   -9   15   23 o   16.580   0.4708   16.620   0.6432   16.530   0.6877 0.9286000E-01 0.9416000 
1 1 1   -9   15   24 o   19.710   0.4109   19.760   0.5651   19.650   0.5966 0.1101000 0.8217000 
1 1 1   -9   15   25 o   18.790   0.4387   18.690   0.6002   18.880   0.6399 -0.1874000 0.8773000 
1 1 1   -9   15   26 f   11.960   0.6618   11.840   0.9020   12.090   0.9688 -0.2445000 1.324000 
1 1 1   -9   15   27 o   7.4200   1.3490   7.3870   1.8840   7.4540   1.9310 -0.6703000E-01 2.698000 
1 1 1   -9   15   28 o   3.2240   1.0590   2.9180   1.3870   3.5300   1.6010 -0.6124000 2.119000 
1 1 1   -9   15   29 o   4.6720   1.3370   4.5770   1.8400   4.7670   1.9420 -0.1903000 2.675000 
1 1 1   -9   15   30 o   7.9030   1.2190   9.2170   1.4090   6.5900   1.9890 2.627000 2.438000 
1 1 1   -9   15   31 o   5.2480   1.3440   4.3250   1.7970   6.1710   2.0000 -1.846000 2.688000 
1 1 1   -9   15   32 o   3.0010   1.0470   2.7150   1.3530   3.2870   1.5980 -0.5719000 2.093000 
1 1 1   -9   15   33 o   3.2890   1.1080   3.7440   1.7260   2.8340   1.3900 0.9101000 2.216000 
1 1 1   -9   15   34 f   3.2960   1.1250   3.0380   1.5010   3.5540   1.6760 -0.5166000 2.250000 
1 1 1   -9   17    1 o   32.150   0.3864   32.330   0.5469   31.970   0.5458 0.3619000 0.7727000 
1 1 1   -9   17    2 o   14.390   0.6516   13.580   0.9601   15.200   0.8813 -1.623000 1.303000 
1 1 1   -9   17    3 o   19.910   0.4958   20.550   0.6758   19.280   0.7258 1.269000 0.9917000 
1 1 1   -9   17    4 o   50.970   0.4329   50.470   0.6087   51.470   0.6158 -1.002000 0.8659000 
1 1 1   -9   17    5 o   47.840   0.4713   47.730   0.5897   47.940   0.7355 -0.2120000 0.9427000 
1 1 1   -9   17    6 o   17.900   0.5133   18.210   0.6924   17.580   0.7580 0.6283000 1.027000 
1 1 1   -9   17    7 o   19.480   0.4868   18.640   0.6887   20.330   0.6881 -1.682000 0.9736000 
1 1 1   -9   17    8 o   63.000   0.4355   62.690   0.6102   63.310   0.6215 -0.6144000 0.8710000 
1 1 1   -9   17    9 o   74.560   0.4972   74.540   0.6994   74.580   0.7070 -0.4517000E-01 0.9945000 
1 1 1   -9   17   10 o   47.210   0.4237   47.200   0.5935   47.210   0.6050 -0.1808000E-01 0.8475000 
1 1 1   -9   17   11 o   10.750   0.9565   11.240   1.2430   10.250   1.4540 0.9885000 1.913000 
1 1 1   -9   17   12 o   27.950   0.4103   28.080   0.5874   27.830   0.5731 0.2501000 0.8206000 
1 1 1   -9   17   13 o   11.260   0.8169   10.040   1.2310   12.480   1.0740 -2.447000 1.634000 
1 1 1   -9   17   14 o   29.600   0.4281   29.490   0.5711   29.720   0.6379 -0.2249000 0.8562000 
1 1 1   -9   17   15 o   14.340   0.7088   13.650   0.9820   15.040   1.0220 -1.383000 1.418000 
1 1 1   -9   17   16 o   20.100   0.4335   20.030   0.5905   20.160   0.6347 -0.1326000 0.8669000 
1 1 1   -9   17   17 o   9.3360   0.8755   9.5910   1.1280   9.0820   1.3390 0.5090000 1.751000 
1 1 1   -9   17   18 o   6.5990   1.1900   8.3870   1.4950   4.8110   1.8530 3.576000 2.380000 
1 1 1   -9   17   19 o   21.080   0.5754   21.920   0.9237   20.250   0.6864 1.670000 1.151000 
1 1 1   -9   17   20 o   10.330   0.7374   10.860   0.9133   9.7970   1.1580 1.061000 1.475000 
1 1 1   -9   17   21 o   13.560   0.5587   13.380   0.7698   13.740   0.8100 -0.3597000 1.117000 
1 1 1   -9   17   22 o   9.0650   0.9189   10.650   0.9694   7.4850   1.5610 3.161000 1.838000 
1 1 1   -9   17   23 o   10.690   0.7342   9.7250   1.0710   11.660   1.0050 -1.932000 1.468000 
1 1 1   -9   17   24 o   19.530   0.4444   19.290   0.6058   19.780   0.6504 -0.4936000 0.8888000 
1 1 1   -9   17   25 o   9.8970   1.0490   9.7410   1.4940   10.050   1.4740 -0.3111000 2.098000 
1 1 1   -9   17   26 o   4.6100   1.3250   5.3540   1.9840   3.8650   1.7570 1.489000 2.651000 
1 1 1   -9   17   27 o   10.450   0.9014   11.550   1.0420   9.3520   1.4710 2.197000 1.803000 
1 1 1   -9   17   28 o   12.960   0.8339   10.740   1.3100   15.190   1.0320 -4.459000 1.668000 
1 1 1   -9   17   29 o   6.8140   1.3300   4.8660   2.0640   8.7610   1.6770 -3.895000 2.659000 
1 1 1   -9   17   30 o   8.4240   1.6660   9.5400   2.5160   7.3090   2.1860 2.231000 3.333000 
1 1 1   -9   17   31 o   3.9870   1.3090   3.5130   1.7360   4.4600   1.9600 -0.9471000 2.618000 
1 1 1   -9   17   32 o   2.9440   1.0250   3.0280   1.5000   2.8590   1.3990 0.1690000 2.051000 
1 1 1   -9   17   33 o   2.7350   0.9649   2.7900   1.3880   2.6790   1.3410 0.1111000 1.930000 
1 1 1   -9   19    1 f   16.910   0.6211   16.460   0.9081   17.360   0.8477 -0.9083000 1.242000 
1 1 1   -9   19    2 o   39.540   0.4487   38.630   0.5727   40.440   0.6909 -1.809000 0.8974000 
1 1 1   -9   19    3 o   49.500   0.4331   49.840   0.6170   49.160   0.6080 0.6803000 0.8662000 
1 1 1   -9   19    4 o   21.120   0.5198   21.490   0.7367   20.760   0.7336 0.7315000 1.040000 
1 1 1   -9   19    5 o   80.660   0.6159   80.570   0.8683   80.750   0.8738 -0.1718000 1.232000 
1 1 1   -9   19    6 o   46.320   0.4294   46.310   0.6009   46.340   0.6136 -0.3450000E-01 0.8588000 
1 1 1   -9   19    7 o   38.760   0.4107   38.400   0.5727   39.110   0.5888 -0.7046000 0.8214000 
1 1 1   -9   19    8 f   50.620   0.3851   50.150   0.5336   51.090   0.5554 -0.9468000 0.7702000 
1 1 1   -9   19    9 o   36.990   0.3557   36.920   0.4835   37.070   0.5219 -0.1459000 0.7114000 
1 1 1   -9   19   10 o   12.460   0.7155   11.680   1.0130   13.240   1.0110 -1.561000 1.431000 
1 1 1   -9   19   11 o   27.890   0.4429   28.600   0.5658   27.170   0.6815 1.433000 0.8858000 
1 1 1   -9   19   12 o   25.680   0.4613   25.510   0.6214   25.850   0.6819 -0.3398000 0.9226000 
1 1 1   -9   19   13 o   34.050   0.3628   34.050   0.5060   34.050   0.5201 -0.2239000E-02 0.7257000 
1 1 1   -9   19   14 o   23.040   0.4345   22.480   0.5719   23.610   0.6543 -1.134000 0.8690000 
1 1 1   -9   19   15 o   20.720   0.4409   20.680   0.5935   20.770   0.6523 -0.8729000E-01 0.8819000 
1 1 1   -9   19   16 o   15.280   0.6311   15.760   0.8357   14.810   0.9459 0.9491000 1.262000 
1 1 1   -9   19   17 o   7.6530   1.1380   8.0090   1.4720   7.2980   1.7350 0.7113000 2.275000 
1 1 1   -9   19   18 o   29.100   0.3519   29.180   0.4859   29.030   0.5093 0.1580000 0.7039000 
1 1 1   -9   19   19 o   38.680   0.3502   38.750   0.4905   38.610   0.4998 0.1374000 0.7003000 
1 1 1   -9   19   20 o   13.780   0.5789   13.430   0.7812   14.130   0.8546 -0.6972000 1.158000 
1 1 1   -9   19   21 o   13.700   0.5828   14.090   0.7721   13.310   0.8732 0.7856000 1.166000 
1 1 1   -9   19   22 o   14.590   0.5720   14.260   0.7984   14.930   0.8194 -0.6699000 1.144000 
1 1 1   -9   19   23 o   6.2820   1.2820   6.0860   1.7680   6.4780   1.8580 -0.3925000 2.565000 
1 1 1   -9   19   24 o   8.3710   1.6110   7.9240   2.7070   8.8180   1.7490 -0.8939000 3.223000 
1 1 1   -9   19   25 o   4.0340   1.2520   4.2730   1.8550   3.7950   1.6820 0.4785000 2.504000 
1 1 1   -9   19   26 o   7.5490   1.3550   7.3180   2.0500   7.7800   1.7730 -0.4624000 2.711000 
1 1 1   -9   19   27 o   13.900   0.8129   13.570   1.2050   14.240   1.0910 -0.6739000 1.626000 
1 1 1   -9   19   28 o   10.160   1.1600   10.650   1.7940   9.6670   1.4720 0.9841000 2.321000 
1 1 1   -9   19   29 o   6.1940   1.4960   6.2860   2.0760   6.1020   2.1540 0.1847000 2.992000 
1 1 1   -9   19   30 o   4.3960   1.2490   5.2910   1.9010   3.5000   1.6210 1.791000 2.499000 
1 1 1   -9   19   31 o   3.2010   1.0970   2.7060   1.3470   3.6970   1.7320 -0.9907000 2.195000 
1 1 1   -9   19   32 o   2.0630   0.7534   1.9400   0.9987   2.1870   1.1280 -0.2464000 1.507000 
1 1 1   -9   21    1 o   86.640   0.5681   86.390   0.8006   86.890   0.8063 -0.5020000 1.136000 
1 1 1   -9   21    2 o   69.180   0.4687   69.230   0.6623   69.140   0.6635 0.8898000E-01 0.9375000 
1 1 1   -9   21    3 o   14.460   0.6799   14.490   0.9299   14.420   0.9921 0.7093000E-01 1.360000 
1 1 1   -9   21    4 f   21.670   0.4840   21.410   0.6691   21.920   0.6994 -0.5098000 0.9679000 
1 1 1   -9   21    5 o   18.280   0.5786   17.120   0.7855   19.440   0.8498 -2.319000 1.157000 
1 1 1   -9   21    6 o   33.380   0.4099   32.140   0.5477   34.620   0.6100 -2.488000 0.8198000 
1 1 1   -9   21    7 o   12.130   0.8783   13.130   0.9952   11.130   1.4470 1.998000 1.757000 
1 1 1   -9   21    8 o   9.1740   1.0950   8.3650   1.5360   9.9830   1.5610 -1.619000 2.190000 
1 1 1   -9   21    9 o   16.800   0.5219   16.040   0.7167   17.560   0.7588 -1.526000 1.044000 
1 1 1   -9   21   10 f   11.710   0.7100   11.710   0.9461   11.710   1.0590 -0.8774000E-03 1.420000 
1 1 1   -9   21   11 o   4.2010   1.2020   3.6320   1.5590   4.7700   1.8310 -1.138000 2.405000 
1 1 1   -9   21   12 o   13.100   0.6397   13.150   0.8520   13.050   0.9545 0.9379000E-01 1.279000 
1 1 1   -9   21   13 o   5.5420   1.3710   5.8940   1.7960   5.1900   2.0730 0.7043000 2.742000 
1 1 1   -9   21   14 o   28.550   0.4161   28.820   0.5848   28.290   0.5920 0.5292000 0.8322000 
1 1 1   -9   21   15 o   27.710   0.3662   27.000   0.5079   28.420   0.5278 -1.418000 0.7325000 
1 1 1   -9   21   16 o   28.090   0.3674   27.880   0.5103   28.300   0.5286 -0.4167000 0.7348000 
1 1 1   -9   21   17 o   3.9990   1.1800   4.0630   1.6590   3.9360   1.6790 0.1265000 2.361000 
1 1 1   -9   21   18 o   26.170   0.3791   26.050   0.5217   26.300   0.5503 -0.2510000 0.7583000 
1 1 1   -9   21   19 o   6.3950   1.2500   7.8940   1.7380   4.8960   1.7980 2.998000 2.501000 
1 1 1   -9   21   20 f   18.950   0.5464   19.010   0.8358   18.900   0.7039 0.1098000 1.093000 
1 1 1   -9   21   21 o   17.820   0.5949   18.190   0.8993   17.450   0.7790 0.7377000 1.190000 
1 1 1   -9   21   22 o   10.570   1.5170   8.9340   2.7230   12.200   1.3370 -3.265000 3.033000 
1 1 1   -9   21   23 o   7.6270   1.3140   6.6710   2.0880   8.5840   1.5960 -1.912000 2.629000 
1 1 1   -9   21   24 o   7.0900   1.2730   8.0300   1.6250   6.1490   1.9600 1.881000 2.546000 
1 1 1   -9   21   25 o   7.3580   1.3130   8.7500   1.5990   5.9670   2.0830 2.783000 2.626000 
1 1 1   -9   21   26 o   4.9640   1.3350   5.3450   1.8980   4.5830   1.8770 0.7627000 2.669000 
1 1 1   -9   21   27 o   10.030   1.1530   11.320   1.3160   8.7430   1.8940 2.579000 2.306000 
1 1 1   -9   21   28 o   3.5690   1.1820   3.0890   1.4980   4.0490   1.8300 -0.9604000 2.365000 
1 1 1   -9   21   29 o   3.3280   1.1000   3.1370   1.4880   3.5190   1.6200 -0.3814000 2.200000 
1 1 1   -9   21   30 o   3.6830   1.2060   3.0440   1.4820   4.3220   1.9030 -1.279000 2.412000 
1 1 1   -9   23    1 o   8.5830   0.9463   8.1250   1.3920   9.0410   1.2820 -0.9160000 1.893000 
1 1 1   -9   23    2 o   36.990   0.3382   36.830   0.4747   37.150   0.4820 -0.3225000 0.6765000 
1 1 1   -9   23    3 o   25.310   0.3667   24.730   0.5202   25.890   0.5170 -1.159000 0.7334000 
1 1 1   -9   23    4 o   11.900   0.6748   12.000   0.9261   11.800   0.9818 0.2004000 1.350000 
1 1 1   -9   23    5 o   26.140   0.3766   26.510   0.5039   25.760   0.5598 0.7528000 0.7532000 
1 1 1   -9   23    6 o   11.560   0.7365   11.380   0.9828   11.740   1.0970 -0.3591000 1.473000 
1 1 1   -9   23    7 o   9.2330   1.0330   9.2280   1.3970   9.2380   1.5220 -0.9748000E-02 2.066000 
1 1 1   -9   23    8 o   19.000   0.5088   19.230   0.6914   18.760   0.7466 0.4678000 1.018000 
1 1 1   -9   23    9 o   9.0840   1.0290   10.680   1.1230   7.4850   1.7240 3.197000 2.058000 
1 1 1   -9   23   10 o   6.2190   1.0800   3.5750   1.5950   8.8630   1.4550 -5.288000 2.159000 
1 1 1   -9   23   11 o   6.2380   1.1990   7.0170   1.5440   5.4580   1.8360 1.559000 2.399000 
1 1 1   -9   23   12 o   4.4890   1.2400   3.8280   1.6580   5.1500   1.8450 -1.322000 2.480000 
1 1 1   -9   23   13 f   14.280   0.6621   14.260   1.0050   14.300   0.8629 -0.4541000E-01 1.324000 
1 1 1   -9   23   14 o   7.4290   1.2280   6.1860   1.9750   8.6710   1.4610 -2.485000 2.456000 
1 1 1   -9   23   15 o   9.6660   1.0070   10.530   1.4140   8.8030   1.4350 1.725000 2.014000 
1 1 1   -9   23   16 o   8.4920   1.1460   8.5620   1.6910   8.4210   1.5490 0.1404000 2.293000 
1 1 1   -9   23   17 o   5.7990   1.3660   5.7050   1.9960   5.8930   1.8640 -0.1882000 2.731000 
1 1 1   -9   23   18 o   19.130   0.4883   18.840   0.6850   19.420   0.6961 -0.5724000 0.9766000 
1 1 1   -9   23   19 o   3.7560   1.2370   4.0890   1.8530   3.4230   1.6380 0.6662000 2.473000 
1 1 1   -9   23   20 o   4.9560   1.4330   4.8580   2.0180   5.0540   2.0360 -0.1966000 2.867000 
1 1 1   -9   23   21 o   7.8220   1.1600   8.3850   1.5160   7.2590   1.7560 1.126000 2.320000 
1 1 1   -9   23   22 o   6.4430   1.2870   5.3330   1.8630   7.5530   1.7770 -2.220000 2.575000 
1 1 1   -9   23   23 o   11.180   0.9634   11.090   1.3020   11.280   1.4200 -0.1982000 1.927000 
1 1 1   -9   23   24 o   8.8720   1.2580   8.9810   1.6670   8.7620   1.8860 0.2190000 2.517000 
1 1 1   -9   23   25 o   3.5690   1.1790   3.9970   1.7870   3.1410   1.5400 0.8556000 2.359000 
1 1 1   -9   23   26 o   4.0230   1.2820   4.2720   1.8670   3.7750   1.7590 0.4970000 2.565000 
1 1 1   -9   23   27 o   2.9580   1.0140   2.6210   1.2960   3.2940   1.5600 -0.6726000 2.028000 
1 1 1   -9   23   28 o   2.9150   0.9990   2.8110   1.3690   3.0190   1.4560 -0.2081000 1.998000 
1 1 1   -9   25    1 o   7.7240   1.0250   6.6880   1.5990   8.7610   1.2820 -2.073000 2.050000 
1 1 1   -9   25    2 o   6.9920   1.1010   5.9040   1.7040   8.0800   1.3940 -2.175000 2.202000 
1 1 1   -9   25    3 o   23.180   0.3829   23.460   0.5335   22.890   0.5495 0.5690000 0.7659000 
1 1 1   -9   25    4 o   16.970   0.4787   16.300   0.6943   17.640   0.6591 -1.340000 0.9573000 
1 1 1   -9   25    5 o   33.270   0.4295   33.140   0.6940   33.400   0.5061 -0.2595000 0.8590000 
1 1 1   -9   25    6 o   8.4640   1.2090   6.7310   2.0960   10.200   1.2040 -3.465000 2.417000 
1 1 1   -9   25    7 o   10.850   0.9237   10.920   1.4530   10.790   1.1410 0.1302000 1.847000 
1 1 1   -9   25    8 o   5.4580   1.3260   4.7760   1.9500   6.1390   1.7980 -1.363000 2.653000 
1 1 1   -9   25    9 o   4.5630   1.3110   4.6120   1.9220   4.5140   1.7850 0.9818000E-01 2.623000 
1 1 1   -9   25   10 o   10.700   0.9306   10.980   1.4470   10.430   1.1710 0.5405000 1.861000 
1 1 1   -9   25   11 o   10.420   0.8554   10.470   1.2330   10.360   1.1860 0.1075000 1.711000 
1 1 1   -9   25   12 f   24.790   0.3942   24.680   0.5280   24.900   0.5856 -0.2215000 0.7885000 
1 1 1   -9   25   13 o   13.570   0.6227   13.720   0.8291   13.420   0.9294 0.2910000 1.245000 
1 1 1   -9   25   14 o   6.5210   1.2680   6.4390   1.7210   6.6030   1.8630 -0.1635000 2.536000 
1 1 1   -9   25   15 o   4.9580   1.2840   4.3340   1.7320   5.5830   1.8960 -1.249000 2.568000 
1 1 1   -9   25   16 o   11.060   1.0010   11.270   1.3390   10.850   1.4890 0.4182000 2.003000 
1 1 1   -9   25   17 o   8.6020   1.2890   9.2110   1.6360   7.9940   1.9920 1.217000 2.577000 
1 1 1   -9   25   18 o   4.7880   1.2800   5.5300   1.8750   4.0460   1.7440 1.484000 2.561000 
1 1 1   -9   25   19 o   5.2600   1.3520   5.8640   1.9190   4.6560   1.9040 1.208000 2.703000 
1 1 1   -9   25   20 o   10.340   0.9738   9.7740   1.3950   10.910   1.3590 -1.139000 1.948000 
1 1 1   -9   25   21 o   9.9180   1.1550   11.220   1.3570   8.6160   1.8700 2.603000 2.310000 
1 1 1   -9   25   22 o   3.5110   1.1620   3.3000   1.5720   3.7210   1.7110 -0.4213000 2.324000 
1 1 1   -9   25   23 o   3.4900   1.1680   3.4190   1.6130   3.5610   1.6910 -0.1422000 2.337000 
1 1 1   -9   25   24 o   4.3920   1.3420   4.4480   1.8910   4.3360   1.9050 0.1113000 2.684000 
1 1 1   -9   25   25 o   3.2300   1.0690   3.7940   1.6800   2.6660   1.3220 1.127000 2.137000 
1 1 1   -9   25   26 o   2.4330   0.8654   2.1990   1.1150   2.6680   1.3230 -0.4689000 1.731000 
1 1 1   -9   27    1 o   18.240   0.5977   17.670   1.0040   18.820   0.6491 -1.146000 1.195000 
1 1 1   -9   27    2 o   23.380   0.4904   23.530   0.8110   23.230   0.5516 0.3019000 0.9808000 
1 1 1   -9   27    3 o   15.070   0.7062   14.130   1.2030   16.000   0.7394 -1.874000 1.412000 
1 1 1   -9   27    4 o   13.300   0.6772   13.540   0.8462   13.070   1.0580 0.4768000 1.354000 
1 1 1   -9   27    5 o   8.6980   0.9835   8.8680   1.2930   8.5290   1.4820 0.3399000 1.967000 
1 1 1   -9   27    6 o   10.830   0.7919   9.9710   1.1490   11.680   1.0910 -1.709000 1.584000 
1 1 1   -9   27    7 o   10.510   0.8217   9.7130   1.1850   11.310   1.1390 -1.594000 1.643000 
1 1 1   -9   27    8 o   4.4160   1.2470   4.3940   1.7330   4.4390   1.7950 -0.4494000E-01 2.495000 
1 1 1   -9   27    9 o   7.2810   1.1900   7.0490   1.6490   7.5130   1.7150 -0.4635000 2.379000 
1 1 1   -9   27   10 o   9.8130   0.8933   9.8540   1.1670   9.7720   1.3530 0.8209000E-01 1.787000 
1 1 1   -9   27   11 o   14.340   0.7569   15.170   0.9697   13.510   1.1620 1.656000 1.514000 
1 1 1   -9   27   12 o   12.530   0.8859   13.250   1.1150   11.800   1.3770 1.453000 1.772000 
1 1 1   -9   27   13 o   4.3830   1.3310   4.5700   1.8990   4.1950   1.8640 0.3752000 2.661000 
1 1 1   -9   27   14 o   4.6450   1.2710   5.2090   1.8360   4.0800   1.7570 1.129000 2.541000 
1 1 1   -9   27   15 o   3.7540   1.1570   4.4710   1.7900   3.0370   1.4660 1.434000 2.314000 
1 1 1   -9   27   16 o   3.1370   1.0570   2.9970   1.4310   3.2760   1.5560 -0.2783000 2.114000 
1 1 1   -9   27   17 o   11.120   0.8995   10.240   1.2860   12.010   1.2580 -1.771000 1.799000 
1 1 1   -9   27   18 o   8.9960   1.2440   9.0890   1.6290   8.9040   1.8810 0.1856000 2.488000 
1 1 1   -9   27   19 o   3.6900   1.2050   4.0580   1.7950   3.3230   1.6070 0.7355000 2.409000 
1 1 1   -9   27   20 o   4.2930   1.3120   4.8230   1.9430   3.7630   1.7630 1.059000 2.623000 
1 1 1   -9   27   21 o   7.9050   1.3860   7.5390   1.9710   8.2710   1.9480 -0.7321000 2.771000 
1 1 1   -9   27   22 f   2.6480   0.9288   2.7080   1.3360   2.5880   1.2910 0.1203000 1.858000 
1 1 1   -9   27   23 o   3.8690   1.2140   3.8050   1.6900   3.9330   1.7430 -0.1280000 2.428000 
1 1 1   -9   27   24 o   5.9710   1.4300   4.9080   2.0260   7.0340   2.0200 -2.126000 2.861000 
1 1 1   -9   29    1 o   4.9470   1.3360   4.2730   1.8270   5.6210   1.9500 -1.348000 2.673000 
1 1 1   -9   29    2 o   4.6400   1.2670   3.4560   1.6110   5.8230   1.9560 -2.367000 2.534000 
1 1 1   -9   29    3 o   5.6390   1.3890   5.8890   1.9740   5.3890   1.9560 0.5002000 2.779000 
1 1 1   -9   29    4 o   4.5530   1.3060   5.4690   1.9590   3.6360   1.7280 1.833000 2.612000 
1 1 1   -9   29    5 o   9.5540   1.1280   9.9320   1.4650   9.1760   1.7160 0.7564000 2.257000 
1 1 1   -9   29    6 o   14.500   0.7522   14.470   1.0210   14.530   1.1050 -0.5916000E-01 1.504000 
1 1 1   -9   29    7 o   6.2220   1.4670   5.9250   2.0440   6.5180   2.1060 -0.5935000 2.935000 
1 1 1   -9   29    8 o   10.370   0.9238   8.8730   1.4340   11.870   1.1650 -2.993000 1.848000 
1 1 1   -9   29    9 o   5.2800   1.3240   4.7270   1.8020   5.8340   1.9410 -1.108000 2.649000 
1 1 1   -9   29   10 o   3.2060   1.0700   3.0230   1.4390   3.3890   1.5850 -0.3660000 2.141000 
1 1 1   -9   29   11 o   7.5050   1.2200   8.4530   1.4960   6.5580   1.9270 1.895000 2.439000 
1 1 1   -9   29   12 o   8.9100   1.0840   8.3700   1.5730   9.4500   1.4920 -1.080000 2.168000 
1 1 1   -9   29   13 o   3.8390   1.2370   3.8200   1.7320   3.8580   1.7660 -0.3765000E-01 2.473000 
1 1 1   -9   29   14 o   6.1330   1.4330   6.8690   2.0060   5.3970   2.0460 1.472000 2.865000 
1 1 1   -9   29   15 o   3.3530   1.1260   3.8070   1.7310   2.8980   1.4390 0.9090000 2.251000 
1 1 1   -9   29   16 o   3.1300   1.0640   2.6390   1.3030   3.6200   1.6810 -0.9806000 2.127000 
1 1 1   -9   29   17 o   5.1490   1.3390   6.4670   2.0070   3.8320   1.7740 2.635000 2.678000 
1 1 1   -9   29   18 o   3.5080   1.1690   3.1660   1.5280   3.8510   1.7710 -0.6854000 2.338000 
1 1 1   -9   29   19 o   2.7590   0.9562   3.2490   1.5290   2.2690   1.1490 0.9801000 1.912000 
1 1 1   -9   29   20 o   3.4900   1.1330   3.4830   1.5890   3.4960   1.6160 -0.1257000E-01 2.266000 
1 1 1   -9   29   21 o   2.6680   0.9296   2.6480   1.3000   2.6890   1.3290 -0.4033000E-01 1.859000 
1 1 1   -9   31    1 o   4.5070   1.3340   5.2010   2.0180   3.8120   1.7450 1.389000 2.668000 
1 1 1   -9   31    2 o   6.5250   1.4390   5.9690   2.0570   7.0810   2.0140 -1.112000 2.879000 
1 1 1   -9   31    3 o   9.1560   1.2190   8.1060   1.8870   10.210   1.5450 -2.099000 2.438000 
1 1 1   -9   31    4 o   9.4110   1.2220   11.570   1.3240   7.2530   2.0530 4.318000 2.443000 
1 1 1   -9   31    5 o   7.9920   1.3590   7.2770   1.9830   8.7070   1.8590 -1.430000 2.718000 
1 1 1   -9   31    6 o   4.6870   1.3780   4.2710   1.8470   5.1020   2.0460 -0.8310000 2.756000 
1 1 1   -9   31    7 o   11.220   1.0340   10.200   1.5300   12.240   1.3920 -2.039000 2.068000 
1 1 1   -9   31    8 o   4.2100   1.3070   4.6520   1.9310   3.7680   1.7610 0.8836000 2.613000 
1 1 1   -9   31    9 o   9.7000   1.2020   10.690   1.3990   8.7050   1.9560 1.989000 2.405000 
1 1 1   -9   31   10 o   9.0760   1.2130   5.9130   2.0170   12.240   1.3460 -6.325000 2.425000 
1 1 1   -9   31   11 o   3.2070   1.0760   3.0560   1.4610   3.3570   1.5810 -0.3007000 2.153000 
1 1 1   -9   31   12 o   5.3760   1.3490   6.5600   1.9580   4.1930   1.8560 2.367000 2.698000 
1 1 1   -9   31   13 o   5.8940   1.4350   5.8570   1.9790   5.9320   2.0780 -0.7542000E-01 2.870000 
1 1 1   -9   31   14 o   3.6680   1.1840   4.2210   1.8190   3.1150   1.5170 1.106000 2.369000 
1 1 1   -9   31   15 o   6.0910   1.0090   9.2130   1.4170   2.9690   1.4370 6.244000 2.018000 
1 1 1   -9   31   16 o   3.8830   1.1900   3.2330   1.5130   4.5330   1.8370 -1.300000 2.380000 
1 1 1   -9   31   17 o   2.7950   0.9641   2.5220   1.2490   3.0670   1.4690 -0.5452000 1.928000 
1 1 1   -9   31   18 o   1.8370   0.6765   1.7990   0.9370   1.8740   0.9760 -0.7467000E-01 1.353000 
1 1 1   -9   33    1 o   3.7620   1.2130   3.0510   1.4810   4.4720   1.9220 -1.421000 2.427000 
1 1 1   -9   33    2 o   3.9600   1.2600   3.9120   1.7540   4.0080   1.8090 -0.9568000E-01 2.519000 
1 1 1   -9   33    3 o   6.5360   1.4440   6.8080   1.9840   6.2640   2.0980 0.5447000 2.888000 
1 1 1   -9   33    4 o   3.4070   1.1390   2.9650   1.4480   3.8480   1.7600 -0.8828000 2.279000 
1 1 1   -9   33    5 o   4.4080   1.3050   3.4820   1.6280   5.3330   2.0400 -1.851000 2.610000 
1 1 1   -9   33    6 o   4.4740   1.3320   4.7230   1.9130   4.2260   1.8530 0.4966000 2.663000 
1 1 1   -9   33    7 o   8.4210   1.2570   10.170   1.4680   6.6720   2.0400 3.498000 2.514000 
1 1 1   -9   33    8 o   5.4100   1.3000   4.3500   1.7850   6.4700   1.8920 -2.120000 2.601000 
1 1 1   -9   33    9 o   4.1210   1.2340   3.9130   1.6960   4.3280   1.7940 -0.4150000 2.468000 
1 1 1   -9   33   10 o   3.8630   1.1940   3.8620   1.6770   3.8630   1.7010 -0.1137000E-02 2.389000 
1 1 1   -9   33   11 o   5.4740   1.2980   4.7960   1.8190   6.1520   1.8520 -1.356000 2.596000 
1 1 1   -9   33   12 o   2.7540   0.9505   2.4670   1.2250   3.0410   1.4540 -0.5742000 1.901000 
1 1 1   -9   33   13 o   2.2550   0.8257   2.2320   1.1570   2.2770   1.1790 -0.4496000E-01 1.651000 
1 1 1   -9   35    1 o   1.8680   0.9720   1.8680   0.9720  ?   ?       ?      ? 
1 1 1   -9   35    2 o   2.0560   1.0670   2.0560   1.0670  ?   ?       ?      ? 
1 1 1   -8    0    1 o   33.900   0.3050   33.900   0.3050   33.900   0.3050 -0.000000 0.000000 
1 1 1   -8    0    2 o   7.1070   0.1804   7.1070   0.1804   7.1070   0.1804 -0.000000 0.000000 
1 1 1   -8    0    3 o   10.060   0.1684   10.060   0.1684   10.060   0.1684 0.000000 0.000000 
1 1 1   -8    0    4 o   41.580   0.4331   41.580   0.4331   41.580   0.4331 0.000000 0.000000 
1 1 1   -8    0    6 o   69.220   0.8745   69.220   0.8745   69.220   0.8745 -0.000000 0.000000 
1 1 1   -8    0    7 f   19.890   0.3244   19.890   0.3244   19.890   0.3244 -0.000000 0.000000 
1 1 1   -8    0    8 o   99.210   0.8829   99.210   0.8829   99.210   0.8829 -0.000000 0.000000 
1 1 1   -8    0    9 o   36.210   0.3468   36.210   0.3468   36.210   0.3468 0.000000 0.000000 
1 1 1   -8    0   10 f   14.210   0.3248   14.210   0.3248   14.210   0.3248 0.000000 0.000000 
1 1 1   -8    0   11 o   16.850   0.4388   16.850   0.4388   16.850   0.4388 -0.000000 0.000000 
1 1 1   -8    0   12 o   73.600   0.6631   73.600   0.6631   73.600   0.6631 0.000000 0.000000 
1 1 1   -8    0   13 o   13.880   0.4775   13.880   0.4775   13.880   0.4775 -0.000000 0.000000 
1 1 1   -8    0   14 o   8.5140   0.6661   8.5140   0.6661   8.5140   0.6661 -0.000000 0.000000 
1 1 1   -8    0   15 o   38.770   0.3999   38.770   0.3999   38.770   0.3999 0.000000 0.000000 
1 1 1   -8    0   16 o   6.2230   1.3310   6.2230   1.3310   6.2230   1.3310 -0.000000 0.000000 
1 1 1   -8    0   17 o   28.780   0.4079   28.780   0.4079   28.780   0.4079 -0.000000 0.000000 
1 1 1   -8    0   18 o   43.750   0.4615   43.750   0.4615   43.750   0.4615 -0.000000 0.000000 
1 1 1   -8    0   19 o   12.280   1.1470   12.280   1.1470   12.280   1.1470 -0.000000 0.000000 
1 1 1   -8    0   20 o   63.870   0.8577   63.870   0.8577   63.870   0.8577 0.000000 0.000000 
1 1 1   -8    0   21 o   30.440   0.5744   30.440   0.5744   30.440   0.5744 -0.000000 0.000000 
1 1 1   -8    0   22 o   23.950   0.5151   23.950   0.5151   23.950   0.5151 0.000000 0.000000 
1 1 1   -8    0   23 o   5.8920   1.9760   5.8920   1.9760   5.8920   1.9760 -0.000000 0.000000 
1 1 1   -8    0   24 o   15.560   1.0700   15.560   1.0700   15.560   1.0700 -0.000000 0.000000 
1 1 1   -8    0   25 o   20.080   0.5744   20.080   0.5744   20.080   0.5744 -0.000000 0.000000 
1 1 1   -8    0   26 o   4.1740   1.9880   4.1740   1.9880   4.1740   1.9880 0.000000 0.000000 
1 1 1   -8    0   27 o   15.930   0.6390   15.930   0.6390   15.930   0.6390 -0.000000 0.000000 
1 1 1   -8    0   28 f   1.7970   1.2740   1.7970   1.2740   1.7970   1.2740 0.000000 0.000000 
1 1 1   -8    0   29 o   4.9940   2.0110   4.9940   2.0110   4.9940   2.0110 0.000000 0.000000 
1 1 1   -8    0   30 f   5.4860   2.0060   5.4860   2.0060   5.4860   2.0060 0.000000 0.000000 
1 1 1   -8    0   31 o   20.450   0.5879   20.450   0.5879   20.450   0.5879 -0.000000 0.000000 
1 1 1   -8    0   32 o   7.5350   2.3320   7.5350   2.3320   7.5350   2.3320 0.000000 0.000000 
1 1 1   -8    0   33 o   2.8240   1.8300   2.8240   1.8300   2.8240   1.8300 0.000000 0.000000 
1 1 1   -8    0   34 o   2.8690   1.8830   2.8690   1.8830   2.8690   1.8830 -0.000000 0.000000 
1 1 1   -8    0   35 o   12.420   1.1430   12.420   1.1430   12.420   1.1430 0.000000 0.000000 
1 1 1   -8    0   36 o   4.7400   2.7160   4.7400   2.7160   4.7400   2.7160 0.000000 0.000000 
1 1 1   -8    0   37 o   3.7230   2.1800   3.7230   2.1800   3.7230   2.1800 -0.000000 0.000000 
1 1 1   -8    0   38 o   2.1260   1.5720   2.1260   1.5720   2.1260   1.5720 -0.000000 0.000000 
1 1 1   -8    2    1 o   67.460   0.4250   67.220   0.5989   67.710   0.6032 -0.4902000 0.8500000 
1 1 1   -8    2    2 o   43.470   0.2773   43.100   0.3891   43.840   0.3951 -0.7349000 0.5545000 
1 1 1   -8    2    3 o   99.460   0.6254   99.600   0.8857   99.320   0.8833 0.2800000 1.251000 
1 1 1   -8    2    4 o   57.690   0.4219   57.500   0.5951   57.880   0.5981 -0.3800000 0.8438000 
1 1 1   -8    2    5 o   63.690   0.5704   64.230   0.8130   63.160   0.8003 1.067000 1.141000 
1 1 1   -8    2    6 o   91.160   0.6628   91.180   0.9375   91.130   0.9373 0.4221000E-01 1.326000 
1 1 1   -8    2    7 o   59.440   0.3788   59.820   0.5390   59.050   0.5324 0.7770000 0.7576000 
1 1 1   -8    2    8 o   80.320   0.5080   81.060   0.7252   79.580   0.7117 1.478000 1.016000 
1 1 1   -8    2    9 o   59.620   0.3821   59.750   0.5414   59.490   0.5392 0.2539000 0.7641000 
1 1 1   -8    2   10 o   54.320   0.4062   54.120   0.5716   54.530   0.5773 -0.4106000 0.8124000 
1 1 1   -8    2   11 o   18.460   0.2573   18.460   0.3675   18.460   0.3603 0.5875000E-03 0.5146000 
1 1 1   -8    2   12 o   33.950   0.2471   34.150   0.3496   33.740   0.3494 0.4182000 0.4943000 
1 1 1   -8    2   13 o   30.560   0.2400   30.760   0.3404   30.360   0.3385 0.3949000 0.4800000 
1 1 1   -8    2   14 o   50.030   0.3348   50.120   0.4740   49.940   0.4728 0.1809000 0.6695000 
1 1 1   -8    2   15 o   30.830   0.2574   30.820   0.3645   30.840   0.3634 -0.2388000E-01 0.5147000 
1 1 1   -8    2   16 o   69.020   0.4488   69.100   0.6353   68.930   0.6342 0.1690000 0.8977000 
1 1 1   -8    2   17 o  126.800   0.8025  127.100   1.1380  126.400   1.1320 0.6897000 1.605000 
1 1 1   -8    2   18 o   48.670   0.3485   48.860   0.4935   48.480   0.4921 0.3850000 0.6969000 
1 1 1   -8    2   19 o   23.010   0.4776   22.910   0.6503   23.120   0.6995 -0.2058000 0.9551000 
1 1 1   -8    2   20 o   22.500   0.4345   22.530   0.5849   22.470   0.6426 0.5657000E-01 0.8689000 
1 1 1   -8    2   21 o   11.910   0.6507   11.330   0.9445   12.480   0.8953 -1.149000 1.301000 
1 1 1   -8    2   22 o   16.850   0.4729   16.750   0.6650   16.950   0.6726 -0.2049000 0.9459000 
1 1 1   -8    2   23 o   19.200   0.4169   19.160   0.5740   19.240   0.6047 -0.7464000E-01 0.8338000 
1 1 1   -8    2   24 o   12.890   0.8491   12.990   1.1240   12.780   1.2730 0.2181000 1.698000 
1 1 1   -8    2   25 o   31.390   0.3720   31.320   0.5299   31.450   0.5221 -0.1317000 0.7439000 
1 1 1   -8    2   26 o   10.070   0.6985   9.8230   0.9956   10.310   0.9799 -0.4890000 1.397000 
1 1 1   -8    2   27 f   22.290   0.3550   22.550   0.4892   22.020   0.5145 0.5334000 0.7099000 
1 1 1   -8    2   28 o   26.180   0.3319   26.330   0.4582   26.030   0.4803 0.2966000 0.6638000 
1 1 1   -8    2   29 o   5.1150   1.0840   6.5640   1.5140   3.6660   1.5530 2.898000 2.169000 
1 1 1   -8    2   30 o   6.0220   1.1340   6.9780   1.4520   5.0660   1.7430 1.912000 2.268000 
1 1 1   -8    2   31 o   5.4900   1.2380   5.5040   1.7680   5.4760   1.7320 0.2795000E-01 2.475000 
1 1 1   -8    2   32 o   5.4630   1.4660   5.5660   2.0800   5.3600   2.0670 0.2056000 2.933000 
1 1 1   -8    2   33 o   4.5290   1.2780   4.0860   1.7340   4.9730   1.8780 -0.8862000 2.555000 
1 1 1   -8    2   34 o   5.0600   1.3550   5.4650   1.9470   4.6560   1.8850 0.8094000 2.710000 
1 1 1   -8    2   35 o   6.2270   1.3790   6.7240   1.9110   5.7290   1.9870 0.9941000 2.757000 
1 1 1   -8    2   36 o   5.3530   1.5930   4.7850   2.0990   5.9210   2.3960 -1.136000 3.185000 
1 1 1   -8    2   37 o   3.3960   1.1230   2.9280   1.4260   3.8630   1.7340 -0.9352000 2.245000 
1 1 1   -8    4    1 o   78.580   0.5720   78.790   0.8113   78.380   0.8066 0.4090000 1.144000 
1 1 1   -8    4    2 o   93.220   0.5870   93.060   0.8287   93.370   0.8314 -0.3039000 1.174000 
1 1 1   -8    4    3 o   46.700   0.3018   46.810   0.4280   46.580   0.4256 0.2246000 0.6036000 
1 1 1   -8    4    4 o   81.060   0.5916   81.120   0.8368   81.000   0.8364 0.1277000 1.183000 
1 1 1   -8    4    5 o  127.200   0.9241  128.600   1.3220  125.800   1.2920 2.735000 1.848000 
1 1 1   -8    4    6 o  166.000   1.0440  165.600   1.4720  166.400   1.4800 -0.7681000 2.087000 
1 1 1   -8    4    7 o  104.700   0.6601  105.200   0.9382  104.100   0.9288 1.087000 1.320000 
1 1 1   -8    4    8 o   45.460   0.3004   45.530   0.4255   45.380   0.4241 0.1449000 0.6007000 
1 1 1   -8    4    9 o   35.740   0.2892   35.920   0.4088   35.550   0.4092 0.3646000 0.5784000 
1 1 1   -8    4   10 o   57.270   0.5256   57.790   0.7498   56.760   0.7368 1.027000 1.051000 
1 1 1   -8    4   11 o   18.080   0.2690   17.910   0.3821   18.240   0.3787 -0.3326000 0.5380000 
1 1 1   -8    4   12 o   27.430   0.2489   27.130   0.3712   27.730   0.3318 -0.6066000 0.4979000 
1 1 1   -8    4   13 o   18.180   0.2583   18.310   0.3559   18.040   0.3744 0.2742000 0.5166000 
1 1 1   -8    4   14 o   31.600   0.2558   31.820   0.3600   31.370   0.3635 0.4523000 0.5116000 
1 1 1   -8    4   15 o   38.810   0.2878   38.830   0.4055   38.800   0.4086 0.3453000E-01 0.5757000 
1 1 1   -8    4   16 o   95.560   0.6093   95.710   0.8630   95.410   0.8603 0.2966000 1.219000 
1 1 1   -8    4   17 o   76.340   0.4950   76.790   0.7035   75.890   0.6966 0.8969000 0.9901000 
1 1 1   -8    4   18 o   44.770   0.4419   43.350   0.6880   46.200   0.5549 -2.843000 0.8839000 
1 1 1   -8    4   19 o   49.580   0.5053   49.540   0.7097   49.610   0.7195 -0.6770000E-01 1.011000 
1 1 1   -8    4   20 o   9.2920   0.9433   8.9060   1.3150   9.6780   1.3530 -0.7718000 1.887000 
1 1 1   -8    4   21 o   19.300   0.4215   19.470   0.5799   19.120   0.6119 0.3459000 0.8431000 
1 1 1   -8    4   22 o   11.080   0.6818   10.690   0.9410   11.480   0.9868 -0.7860000 1.364000 
1 1 1   -8    4   23 o   14.050   0.5440   13.620   0.7476   14.480   0.7904 -0.8621000 1.088000 
1 1 1   -8    4   24 o   4.8850   1.3510   4.0870   1.7980   5.6820   2.0160 -1.596000 2.702000 
1 1 1   -8    4   25 o   13.040   0.5484   13.410   0.7392   12.670   0.8104 0.7486000 1.097000 
1 1 1   -8    4   26 o   37.370   0.3246   37.430   0.4544   37.310   0.4636 0.1204000 0.6492000 
1 1 1   -8    4   27 o   23.030   0.3522   22.490   0.4869   23.570   0.5091 -1.071000 0.7044000 
1 1 1   -8    4   28 o   6.4590   1.0820   5.9810   1.5800   6.9360   1.4800 -0.9548000 2.165000 
1 1 1   -8    4   29 o   15.430   0.4898   15.310   0.6677   15.560   0.7168 -0.2464000 0.9796000 
1 1 1   -8    4   30 o   6.7270   1.1240   6.1760   1.6000   7.2770   1.5800 -1.101000 2.249000 
1 1 1   -8    4   31 o   20.130   0.4835   20.540   0.7128   19.720   0.6535 0.8193000 0.9671000 
1 1 1   -8    4   32 o   8.3310   1.3910   6.7660   2.1020   9.8970   1.8220 -3.131000 2.782000 
1 1 1   -8    4   33 o   9.8010   0.9574   10.510   1.2330   9.0880   1.4650 1.426000 1.915000 
1 1 1   -8    4   34 f   3.8460   1.1820   4.5860   1.8400   3.1060   1.4830 1.479000 2.364000 
1 1 1   -8    4   35 o   5.8530   1.4010   5.7760   1.9640   5.9290   1.9990 -0.1526000 2.803000 
1 1 1   -8    4   36 o   4.3500   1.3930   3.3430   1.6490   5.3560   2.2440 -2.014000 2.785000 
1 1 1   -8    4   37 o   2.6130   0.9184   2.2020   1.1190   3.0250   1.4570 -0.8229000 1.837000 
1 1 1   -8    6    1 o   47.270   0.3575   47.060   0.5041   47.470   0.5071 -0.4040000 0.7150000 
1 1 1   -8    6    2 o   50.520   0.3801   50.150   0.5343   50.900   0.5408 -0.7493000 0.7602000 
1 1 1   -8    6    3 o   46.470   0.3059   46.560   0.4331   46.380   0.4321 0.1732000 0.6118000 
1 1 1   -8    6    4 f   50.470   0.3297   50.780   0.4687   50.160   0.4638 0.6246000 0.6594000 
1 1 1   -8    6    5 o   78.200   0.4968   78.160   0.7023   78.230   0.7028 -0.6546000E-01 0.9936000 
1 1 1   -8    6    6 o   33.820   0.2448   33.950   0.3467   33.690   0.3458 0.2511000 0.4896000 
1 1 1   -8    6    7 o   52.240   0.3951   52.640   0.5622   51.840   0.5552 0.7965000 0.7901000 
1 1 1   -8    6    8 o   53.670   0.4052   53.110   0.5673   54.230   0.5788 -1.114000 0.8104000 
1 1 1   -8    6    9 o   38.410   0.3128   38.400   0.4436   38.420   0.4412 -0.1366000E-01 0.6257000 
1 1 1   -8    6   10 o   30.570   0.2805   30.730   0.3991   30.400   0.3943 0.3257000 0.5610000 
1 1 1   -8    6   11 o   6.3910   0.6376   6.1440   0.9215   6.6370   0.8815 -0.4936000 1.275000 
1 1 1   -8    6   12 o   43.680   0.3033   43.720   0.4288   43.640   0.4289 0.7575000E-01 0.6065000 
1 1 1   -8    6   13 o   22.760   0.2609   23.190   0.3652   22.330   0.3726 0.8625000 0.5217000 
1 1 1   -8    6   14 o   47.690   0.3300   47.500   0.4652   47.870   0.4683 -0.3701000 0.6601000 
1 1 1   -8    6   15 o   29.250   0.2824   29.380   0.3975   29.120   0.4012 0.2634000 0.5648000 
1 1 1   -8    6   16 o   48.770   0.3455   48.380   0.4835   49.150   0.4936 -0.7641000 0.6910000 
1 1 1   -8    6   17 o   99.350   0.6348   98.950   0.8940   99.750   0.9014 -0.8002000 1.270000 
1 1 1   -8    6   18 o   18.480   0.5012   19.840   0.6542   17.120   0.7595 2.712000 1.002000 
1 1 1   -8    6   19 f   34.950   0.3725   34.720   0.5093   35.180   0.5438 -0.4634000 0.7450000 
1 1 1   -8    6   20 o   15.760   0.5073   15.960   0.6792   15.560   0.7537 0.3956000 1.015000 
1 1 1   -8    6   21 o   21.610   0.4007   21.330   0.5525   21.890   0.5803 -0.5576000 0.8013000 
1 1 1   -8    6   22 o   10.330   0.7435   10.690   0.9636   9.9660   1.1330 0.7261000 1.487000 
1 1 1   -8    6   23 o   19.460   0.4923   20.250   0.6139   18.670   0.7699 1.578000 0.9847000 
1 1 1   -8    6   24 o   19.320   0.4656   19.200   0.6684   19.440   0.6483 -0.2397000 0.9312000 
1 1 1   -8    6   25 o   20.040   0.3744   20.370   0.5050   19.710   0.5528 0.6617000 0.7488000 
1 1 1   -8    6   26 o   14.130   0.5008   14.540   0.6435   13.730   0.7674 0.8002000 1.002000 
1 1 1   -8    6   27 o   6.7880   1.0000   5.2920   1.5820   8.2850   1.2240 -2.993000 2.000000 
1 1 1   -8    6   28 o   15.260   0.4808   15.690   0.6542   14.840   0.7048 0.8519000 0.9616000 
1 1 1   -8    6   29 o   14.680   0.5244   15.100   0.6985   14.260   0.7824 0.8339000 1.049000 
1 1 1   -8    6   30 o   9.0710   0.8520   9.3260   1.1340   8.8170   1.2720 0.5087000 1.704000 
1 1 1   -8    6   31 o   13.930   0.6820   13.720   0.9710   14.130   0.9578 -0.4045000 1.364000 
1 1 1   -8    6   32 o   6.7320   1.3110   5.0860   1.9150   8.3770   1.7900 -3.291000 2.621000 
1 1 1   -8    6   33 o   10.240   0.9380   9.4170   1.4400   11.070   1.2030 -1.655000 1.876000 
1 1 1   -8    6   34 f   3.7260   1.1830   3.4460   1.5940   4.0060   1.7490 -0.5598000 2.366000 
1 1 1   -8    6   35 o   4.7410   1.4050   4.1530   1.8420   5.3290   2.1210 -1.176000 2.810000 
1 1 1   -8    6   36 o   5.6800   1.4840   6.2410   2.1490   5.1190   2.0470 1.122000 2.967000 
1 1 1   -8    6   37 o   3.4140   1.1130   4.1220   1.7800   2.7060   1.3350 1.416000 2.225000 
1 1 1   -8    8    1 o   34.690   0.2893   34.910   0.4112   34.480   0.4071 0.4305000 0.5786000 
1 1 1   -8    8    2 o   62.180   0.4621   61.960   0.6512   62.410   0.6557 -0.4547000 0.9241000 
1 1 1   -8    8    3 o   37.630   0.3079   38.820   0.4439   36.440   0.4269 2.380000 0.6159000 
1 1 1   -8    8    4 o   91.040   0.6671   90.050   0.9333   92.030   0.9535 -1.983000 1.334000 
1 1 1   -8    8    5 o   96.460   0.7064   96.780   1.0020   96.140   0.9956 0.6489000 1.413000 
1 1 1   -8    8    6 o   27.130   0.2410   26.970   0.3419   27.280   0.3398 -0.3169000 0.4820000 
1 1 1   -8    8    7 o   48.560   0.3272   48.540   0.4628   48.580   0.4628 -0.3414000E-01 0.6545000 
1 1 1   -8    8    8 o   30.580   0.2895   30.370   0.4095   30.790   0.4094 -0.4160000 0.5790000 
1 1 1   -8    8    9 o   25.880   0.2862   25.590   0.4027   26.170   0.4067 -0.5760000 0.5724000 
1 1 1   -8    8   10 o   35.980   0.2727   35.920   0.3848   36.040   0.3864 -0.1202000 0.5453000 
1 1 1   -8    8   11 o   17.110   0.3056   17.180   0.4240   17.040   0.4403 0.1467000 0.6113000 
1 1 1   -8    8   12 o   40.220   0.2953   40.270   0.4165   40.160   0.4188 0.1085000 0.5907000 
1 1 1   -8    8   13 o   32.440   0.2795   32.830   0.3970   32.050   0.3935 0.7855000 0.5590000 
1 1 1   -8    8   14 o   24.700   0.3011   25.080   0.4158   24.310   0.4357 0.7774000 0.6022000 
1 1 1   -8    8   15 o   11.820   0.5287   11.930   0.7099   11.720   0.7836 0.2171000 1.057000 
1 1 1   -8    8   16 o   25.250   0.3270   25.030   0.4568   25.460   0.4679 -0.4221000 0.6540000 
1 1 1   -8    8   17 o   27.180   0.3976   27.700   0.5481   26.670   0.5760 1.029000 0.7952000 
1 1 1   -8    8   18 o   21.110   0.4953   20.990   0.6099   21.230   0.7805 -0.2428000 0.9906000 
1 1 1   -8    8   19 o   39.940   0.3808   40.410   0.5278   39.470   0.5490 0.9392000 0.7616000 
1 1 1   -8    8   20 o   32.550   0.3357   32.390   0.4665   32.710   0.4827 -0.3177000 0.6713000 
1 1 1   -8    8   21 o   27.490   0.3485   27.760   0.4772   27.230   0.5079 0.5282000 0.6970000 
1 1 1   -8    8   22 o   11.630   0.7656   12.060   0.9198   11.210   1.2240 0.8471000 1.531000 
1 1 1   -8    8   23 o   4.9220   1.2830   5.2320   1.8320   4.6120   1.7960 0.6202000 2.565000 
1 1 1   -8    8   24 o   26.910   0.3931   26.620   0.5459   27.190   0.5658 -0.5716000 0.7862000 
1 1 1   -8    8   25 o   7.4740   0.9486   6.8240   1.3880   8.1240   1.2930 -1.301000 1.897000 
1 1 1   -8    8   26 o   9.1240   0.7796   8.8130   1.0620   9.4340   1.1420 -0.6212000 1.559000 
1 1 1   -8    8   27 o   11.210   0.6449   11.610   0.8090   10.810   1.0050 0.7935000 1.290000 
1 1 1   -8    8   28 o   6.9580   1.0380   7.8880   1.2340   6.0270   1.6690 1.861000 2.076000 
1 1 1   -8    8   29 o   9.4710   0.8139   10.050   0.9993   8.8970   1.2850 1.149000 1.628000 
1 1 1   -8    8   30 o   8.3700   1.1200   8.2210   1.6140   8.5190   1.5530 -0.2982000 2.240000 
1 1 1   -8    8   31 o   6.3870   1.4920   6.3450   2.0650   6.4300   2.1530 -0.8430000E-01 2.984000 
1 1 1   -8    8   32 o   7.6430   1.3330   7.6250   1.8160   7.6610   1.9510 -0.3527000E-01 2.666000 
1 1 1   -8    8   33 o   7.5490   1.2710   7.1670   1.8510   7.9320   1.7420 -0.7651000 2.542000 
1 1 1   -8    8   34 o   4.0990   1.2560   4.4310   1.8310   3.7670   1.7180 0.6643000 2.511000 
1 1 1   -8    8   35 o   4.6600   1.3670   5.5010   2.0690   3.8180   1.7870 1.683000 2.734000 
1 1 1   -8    8   36 o   2.4740   0.8861   2.5700   1.2970   2.3770   1.2070 0.1928000 1.772000 
1 1 1   -8    8   37 o   2.6890   1.3420   2.6890   1.3420  ?   ?       ?      ? 
1 1 1   -8   10    1 o   66.860   0.4315   66.620   0.6083   67.100   0.6123 -0.4849000 0.8631000 
1 1 1   -8   10    2 o   71.190   0.4576   71.200   0.6474   71.180   0.6470 0.2647000E-01 0.9153000 
1 1 1   -8   10    3 o   70.770   0.5266   70.590   0.7427   70.950   0.7467 -0.3671000 1.053000 
1 1 1   -8   10    4 o   26.760   0.3200   26.340   0.4902   27.180   0.4116 -0.8494000 0.6401000 
1 1 1   -8   10    5 o   24.340   0.2975   24.280   0.4189   24.400   0.4226 -0.1239000 0.5950000 
1 1 1   -8   10    6 f   11.240   0.4999   11.180   0.7193   11.300   0.6943 -0.1239000 0.9998000 
1 1 1   -8   10    7 o   36.840   0.2806   36.750   0.3959   36.920   0.3979 -0.1709000 0.5613000 
1 1 1   -8   10    8 o   44.830   0.3165   44.680   0.4461   44.980   0.4490 -0.2989000 0.6329000 
1 1 1   -8   10    9 o   12.140   0.4312   12.000   0.6082   12.270   0.6115 -0.2737000 0.8624000 
1 1 1   -8   10   10 o   41.690   0.3053   42.040   0.4335   41.340   0.4299 0.6920000 0.6105000 
1 1 1   -8   10   11 o   36.740   0.2929   36.770   0.4115   36.710   0.4169 0.5939000E-01 0.5858000 
1 1 1   -8   10   12 o   50.260   0.3521   50.690   0.4986   49.840   0.4975 0.8514000 0.7043000 
1 1 1   -8   10   13 o   45.060   0.3333   45.210   0.4700   44.900   0.4727 0.3174000 0.6666000 
1 1 1   -8   10   14 o   58.270   0.3974   58.250   0.5601   58.290   0.5640 -0.4266000E-01 0.7948000 
1 1 1   -8   10   15 o   61.840   0.4885   62.150   0.6938   61.530   0.6879 0.6235000 0.9771000 
1 1 1   -8   10   16 o   63.650   0.5029   63.180   0.7056   64.120   0.7167 -0.9453000 1.006000 
1 1 1   -8   10   17 f   9.5350   0.9173   9.5860   1.2290   9.4850   1.3620 0.1004000 1.835000 
1 1 1   -8   10   18 f   25.050   0.4204   24.280   0.5773   25.830   0.6113 -1.551000 0.8408000 
1 1 1   -8   10   19 o   36.920   0.3382   36.690   0.4720   37.150   0.4844 -0.4570000 0.6763000 
1 1 1   -8   10   20 o   33.390   0.3370   33.910   0.4662   32.860   0.4868 1.059000 0.6740000 
1 1 1   -8   10   21 o   5.4260   1.3180   5.6310   1.7810   5.2210   1.9430 0.4098000 2.636000 
1 1 1   -8   10   22 o   34.220   0.3309   33.990   0.4549   34.450   0.4806 -0.4560000 0.6617000 
1 1 1   -8   10   23 o   15.240   0.5712   15.200   0.8117   15.270   0.8039 -0.7159000E-01 1.142000 
1 1 1   -8   10   24 o   10.600   0.6793   10.770   0.8954   10.430   1.0220 0.3442000 1.359000 
1 1 1   -8   10   25 o   10.900   0.6508   11.240   0.8267   10.560   1.0050 0.6781000 1.302000 
1 1 1   -8   10   26 o   16.820   0.4601   17.040   0.6014   16.600   0.6965 0.4444000 0.9202000 
1 1 1   -8   10   27 o   36.850   0.3345   37.270   0.4690   36.430   0.4771 0.8405000 0.6690000 
1 1 1   -8   10   28 o   15.130   0.5058   14.480   0.7055   15.780   0.7249 -1.297000 1.012000 
1 1 1   -8   10   29 o   14.630   0.5538   14.510   0.7396   14.750   0.8244 -0.2430000 1.108000 
1 1 1   -8   10   30 o   9.1260   1.0610   9.0860   1.4510   9.1670   1.5470 -0.8141000E-01 2.121000 
1 1 1   -8   10   31 f   5.0760   1.2980   5.8970   1.8470   4.2540   1.8260 1.644000 2.597000 
1 1 1   -8   10   32 o   9.5540   0.9960   8.9250   1.4540   10.180   1.3610 -1.258000 1.992000 
1 1 1   -8   10   33 o   7.6430   1.2580   5.3110   2.0730   9.9760   1.4280 -4.665000 2.517000 
1 1 1   -8   10   34 o   4.7030   1.3810   5.3640   2.0420   4.0420   1.8600 1.322000 2.762000 
1 1 1   -8   10   35 o   3.4880   1.1660   3.6300   1.6920   3.3450   1.6050 0.2853000 2.332000 
1 1 1   -8   10   36 o   4.1250   1.2450   4.7480   1.8970   3.5020   1.6120 1.246000 2.490000 
1 1 1   -8   12    1 o   31.430   0.2662   31.430   0.3769   31.420   0.3760 0.5123000E-02 0.5324000 
1 1 1   -8   12    2 o   50.890   0.3443   50.790   0.4866   50.990   0.4873 -0.1926000 0.6886000 
1 1 1   -8   12    3 o   84.250   0.5386   84.060   0.7600   84.450   0.7634 -0.3922000 1.077000 
1 1 1   -8   12    4 o   77.840   0.5007   77.370   0.7038   78.310   0.7125 -0.9431000 1.001000 
1 1 1   -8   12    5 o   57.050   0.3808   57.180   0.5382   56.930   0.5388 0.2547000 0.7616000 
1 1 1   -8   12    6 o   49.830   0.3443   49.610   0.4835   50.060   0.4901 -0.4446000 0.6885000 
1 1 1   -8   12    7 o   93.910   0.5998   93.580   0.8453   94.240   0.8513 -0.6592000 1.200000 
1 1 1   -8   12    8 o   29.740   0.2896   29.890   0.4046   29.590   0.4145 0.2934000 0.5792000 
1 1 1   -8   12    9 o   22.750   0.3188   22.320   0.4504   23.180   0.4512 -0.8539000 0.6375000 
1 1 1   -8   12   10 o   10.670   0.6725   10.370   0.8658   10.970   1.0290 -0.5931000 1.345000 
1 1 1   -8   12   11 o   19.840   0.3619   20.430   0.4859   19.260   0.5365 1.175000 0.7239000 
1 1 1   -8   12   12 o   85.920   0.5548   85.660   0.7820   86.170   0.7873 -0.5129000 1.110000 
1 1 1   -8   12   13 o   40.290   0.3905   40.710   0.5490   39.870   0.5553 0.8439000 0.7809000 
1 1 1   -8   12   14 o   62.320   0.4975   62.170   0.7014   62.460   0.7059 -0.2916000 0.9951000 
1 1 1   -8   12   15 o   58.060   0.4105   57.730   0.5751   58.400   0.5860 -0.6745000 0.8211000 
1 1 1   -8   12   16 o   33.690   0.3914   34.210   0.5359   33.170   0.5707 1.037000 0.7829000 
1 1 1   -8   12   17 o   17.740   0.5166   18.580   0.6770   16.910   0.7804 1.666000 1.033000 
1 1 1   -8   12   18 o   6.0500   1.2250   5.1930   1.7710   6.9070   1.6940 -1.714000 2.450000 
1 1 1   -8   12   19 o   9.5680   0.8476   9.4850   1.1610   9.6520   1.2350 -0.1665000 1.695000 
1 1 1   -8   12   20 o   10.040   0.9014   9.8000   1.2040   10.280   1.3420 -0.4758000 1.803000 
1 1 1   -8   12   21 o   10.310   0.7701   9.5920   1.0490   11.020   1.1280 -1.427000 1.540000 
1 1 1   -8   12   22 o   31.530   0.4558   31.020   0.7294   32.040   0.5468 -1.021000 0.9116000 
1 1 1   -8   12   23 o   20.080   0.4031   19.980   0.5489   20.180   0.5904 -0.1967000 0.8062000 
1 1 1   -8   12   24 o   8.9330   0.8193   9.2000   1.0350   8.6670   1.2710 0.5330000 1.639000 
1 1 1   -8   12   25 o   10.990   0.6464   10.470   0.9030   11.520   0.9250 -1.052000 1.293000 
1 1 1   -8   12   26 o   14.020   0.5291   13.980   0.7094   14.060   0.7853 -0.7475000E-01 1.058000 
1 1 1   -8   12   27 o   11.610   0.6599   11.090   0.9302   12.140   0.9363 -1.054000 1.320000 
1 1 1   -8   12   28 o   11.800   0.6834   11.550   0.9431   12.050   0.9894 -0.4993000 1.367000 
1 1 1   -8   12   29 o   6.9580   1.2610   5.2970   1.9090   8.6190   1.6480 -3.321000 2.522000 
1 1 1   -8   12   30 o   5.2770   1.3080   4.2080   1.7330   6.3450   1.9590 -2.137000 2.616000 
1 1 1   -8   12   31 o   7.9550   1.1450   9.4890   1.2880   6.4200   1.8950 3.069000 2.291000 
1 1 1   -8   12   32 o   3.7610   1.1840   3.6520   1.6400   3.8700   1.7090 -0.2185000 2.369000 
1 1 1   -8   12   33 o   9.6690   1.2160   9.8100   1.6170   9.5280   1.8180 0.2829000 2.433000 
1 1 1   -8   12   34 o   3.9140   1.2170   3.1170   1.4950   4.7110   1.9200 -1.594000 2.433000 
1 1 1   -8   12   35 o   3.1050   1.0650   2.5540   1.2820   3.6550   1.7010 -1.101000 2.130000 
1 1 1   -8   14    1 o   12.220   0.4848   12.500   0.6671   11.940   0.7037 0.5555000 0.9697000 
1 1 1   -8   14    2 o   20.960   0.3202   21.300   0.4464   20.620   0.4591 0.6767000 0.6404000 
1 1 1   -8   14    3 o   42.880   0.3174   43.080   0.4501   42.680   0.4475 0.4087000 0.6347000 
1 1 1   -8   14    4 o   51.140   0.3571   50.870   0.5006   51.400   0.5093 -0.5274000 0.7141000 
1 1 1   -8   14    5 o   69.230   0.4551   69.130   0.6418   69.330   0.6455 -0.1949000 0.9102000 
1 1 1   -8   14    6 o   60.420   0.4075   60.760   0.5779   60.070   0.5748 0.6845000 0.8151000 
1 1 1   -8   14    7 o   37.950   0.3130   37.440   0.4345   38.450   0.4506 -1.011000 0.6260000 
1 1 1   -8   14    8 f   55.150   0.3834   55.420   0.5441   54.870   0.5404 0.5528000 0.7669000 
1 1 1   -8   14    9 o   17.860   0.4943   18.800   0.6199   16.920   0.7701 1.885000 0.9886000 
1 1 1   -8   14   10 o   33.420   0.3885   32.900   0.5434   33.930   0.5555 -1.034000 0.7771000 
1 1 1   -8   14   11 o   64.320   0.5093   64.380   0.7186   64.260   0.7220 0.1195000 1.019000 
1 1 1   -8   14   12 f   81.360   0.6186   81.250   0.8723   81.480   0.8773 -0.2243000 1.237000 
1 1 1   -8   14   13 o   63.420   0.4372   63.330   0.6156   63.510   0.6209 -0.1821000 0.8743000 
1 1 1   -8   14   14 o   30.830   0.4047   30.090   0.5608   31.570   0.5836 -1.482000 0.8094000 
1 1 1   -8   14   15 o   68.900   0.5356   68.550   0.7515   69.250   0.7632 -0.6962000 1.071000 
1 1 1   -8   14   16 o   38.010   0.3504   38.110   0.4864   37.920   0.5046 0.1860000 0.7009000 
1 1 1   -8   14   17 o   14.520   0.5813   14.750   0.7695   14.290   0.8715 0.4591000 1.163000 
1 1 1   -8   14   18 o   24.030   0.4504   23.060   0.6116   25.010   0.6613 -1.952000 0.9007000 
1 1 1   -8   14   19 o   14.720   0.6478   14.900   0.7973   14.530   1.0210 0.3737000 1.296000 
1 1 1   -8   14   20 o   6.7410   1.2450   6.4900   1.7220   6.9930   1.8000 -0.5032000 2.490000 
1 1 1   -8   14   21 o   18.660   0.4985   17.950   0.6887   19.380   0.7208 -1.429000 0.9970000 
1 1 1   -8   14   22 o   11.760   0.6482   11.990   0.8373   11.530   0.9896 0.4622000 1.296000 
1 1 1   -8   14   23 o   7.8050   0.9529   8.1450   1.1960   7.4650   1.4840 0.6794000 1.906000 
1 1 1   -8   14   24 o   10.770   0.6834   10.120   0.9753   11.410   0.9574 -1.292000 1.367000 
1 1 1   -8   14   25 o   5.8060   1.1990   5.8880   1.6370   5.7240   1.7520 0.1645000 2.397000 
1 1 1   -8   14   26 o   10.930   0.7421   11.530   0.9182   10.340   1.1660 1.183000 1.484000 
1 1 1   -8   14   27 o   5.3760   1.2350   4.2890   1.7000   6.4620   1.7920 -2.173000 2.470000 
1 1 1   -8   14   28 o   4.9540   1.2240   6.8150   1.9380   3.0920   1.4960 3.723000 2.448000 
1 1 1   -8   14   29 o   3.3740   1.1020   3.7920   1.6640   2.9560   1.4460 0.8364000 2.205000 
1 1 1   -8   14   30 o   5.8290   1.4270   5.9900   1.9380   5.6680   2.0950 0.3214000 2.854000 
1 1 1   -8   14   31 o   4.5040   1.2880   4.9600   1.8670   4.0480   1.7740 0.9112000 2.575000 
1 1 1   -8   14   32 o   9.8810   1.2560   10.910   1.4460   8.8520   2.0540 2.058000 2.511000 
1 1 1   -8   14   33 f   8.5320   1.1840   10.040   1.3590   7.0280   1.9410 3.010000 2.369000 
1 1 1   -8   14   34 o   4.9450   1.3950   5.1530   1.9840   4.7370   1.9610 0.4151000 2.790000 
1 1 1   -8   16    1 f   41.010   0.3248   40.870   0.4567   41.140   0.4619 -0.2700000 0.6496000 
1 1 1   -8   16    2 o   56.710   0.3901   56.640   0.5496   56.770   0.5537 -0.1254000 0.7802000 
1 1 1   -8   16    3 o   45.690   0.3415   45.640   0.4812   45.750   0.4847 -0.1018000 0.6830000 
1 1 1   -8   16    4 o   59.470   0.4391   59.260   0.5712   59.680   0.6670 -0.4194000 0.8782000 
1 1 1   -8   16    5 o   42.090   0.3932   42.310   0.5471   41.870   0.5648 0.4458000 0.7863000 
1 1 1   -8   16    6 o   45.380   0.4057   45.300   0.5652   45.460   0.5822 -0.1610000 0.8115000 
1 1 1   -8   16    7 o   59.630   0.4786   59.820   0.6729   59.450   0.6809 0.3663000 0.9573000 
1 1 1   -8   16    8 o   25.660   0.4482   25.440   0.6047   25.870   0.6617 -0.4289000 0.8963000 
1 1 1   -8   16    9 o   37.040   0.3496   37.180   0.4824   36.900   0.5061 0.2858000 0.6992000 
1 1 1   -8   16   10 o   49.530   0.3830   49.480   0.5396   49.570   0.5437 -0.9202000E-01 0.7660000 
1 1 1   -8   16   11 o   72.860   0.5619   72.170   0.7859   73.550   0.8034 -1.371000 1.124000 
1 1 1   -8   16   12 o   12.500   0.8803   13.610   1.1840   11.390   1.3030 2.219000 1.761000 
1 1 1   -8   16   13 o   26.470   0.4361   25.910   0.5925   27.040   0.6400 -1.127000 0.8722000 
1 1 1   -8   16   14 o   30.260   0.3680   30.790   0.5030   29.730   0.5373 1.056000 0.7360000 
1 1 1   -8   16   15 o   25.080   0.3970   24.820   0.5481   25.350   0.5746 -0.5325000 0.7941000 
1 1 1   -8   16   16 o   16.130   0.6393   16.610   0.8209   15.650   0.9803 0.9639000 1.279000 
1 1 1   -8   16   17 f   17.280   0.5839   17.050   0.7799   17.510   0.8693 -0.4602000 1.168000 
1 1 1   -8   16   18 o   20.870   0.4219   21.180   0.5649   20.560   0.6268 0.6180000 0.8437000 
1 1 1   -8   16   19 o   5.2080   1.3080   5.3250   1.8340   5.0910   1.8650 0.2341000 2.616000 
1 1 1   -8   16   20 o   5.0510   1.0830   6.6500   1.5110   3.4510   1.5520 3.199000 2.167000 
1 1 1   -8   16   21 o   3.3460   1.0570   2.9190   1.3630   3.7740   1.6150 -0.8557000 2.113000 
1 1 1   -8   16   22 o   10.410   0.7161   10.610   0.9260   10.210   1.0930 0.3964000 1.432000 
1 1 1   -8   16   23 o   21.300   0.3972   21.620   0.5381   20.980   0.5844 0.6327000 0.7944000 
1 1 1   -8   16   24 o   9.8430   0.8248   10.610   0.9849   9.0800   1.3230 1.525000 1.650000 
1 1 1   -8   16   25 o   17.160   0.4923   17.580   0.6512   16.730   0.7386 0.8477000 0.9847000 
1 1 1   -8   16   26 o   17.820   0.6013   17.800   0.8364   17.840   0.8640 -0.4445000E-01 1.203000 
1 1 1   -8   16   27 o   11.500   0.9436   10.170   1.4670   12.830   1.1880 -2.655000 1.887000 
1 1 1   -8   16   28 o   7.2920   1.3050   6.2390   1.8590   8.3440   1.8320 -2.105000 2.610000 
1 1 1   -8   16   29 o   4.0800   1.2550   4.5820   1.8630   3.5790   1.6810 1.003000 2.509000 
1 1 1   -8   16   30 o   5.8910   1.3320   4.6470   1.8570   7.1350   1.9090 -2.487000 2.663000 
1 1 1   -8   16   31 o   6.7790   1.4660   7.2910   1.9390   6.2680   2.2000 1.023000 2.932000 
1 1 1   -8   16   32 o   7.0390   1.2570   8.8420   1.5670   5.2370   1.9660 3.605000 2.514000 
1 1 1   -8   16   33 o   3.2230   1.0980   2.5440   1.2800   3.9020   1.7840 -1.358000 2.196000 
1 1 1   -8   18    1 o   47.050   0.3638   47.200   0.5139   46.890   0.5152 0.3075000 0.7277000 
1 1 1   -8   18    2 o   36.970   0.3456   36.880   0.4854   37.050   0.4921 -0.1672000 0.6912000 
1 1 1   -8   18    3 o   52.120   0.3833   52.670   0.5443   51.580   0.5398 1.090000 0.7666000 
1 1 1   -8   18    4 f   23.320   0.4178   23.950   0.5759   22.700   0.6055 1.248000 0.8356000 
1 1 1   -8   18    5 o   57.730   0.4110   57.110   0.5728   58.340   0.5896 -1.225000 0.8221000 
1 1 1   -8   18    6 o   61.300   0.4295   61.260   0.6027   61.340   0.6122 -0.7409000E-01 0.8591000 
1 1 1   -8   18    7 o   59.500   0.4843   59.520   0.6823   59.490   0.6875 0.3033000E-01 0.9686000 
1 1 1   -8   18    8 o   22.620   0.4969   23.050   0.6732   22.180   0.7311 0.8706000 0.9939000 
1 1 1   -8   18    9 o   4.8910   1.3650   4.7760   1.8850   5.0060   1.9750 -0.2296000 2.730000 
1 1 1   -8   18   10 o   26.600   0.3974   26.790   0.5311   26.410   0.5914 0.3788000 0.7949000 
1 1 1   -8   18   11 o   22.790   0.4448   23.520   0.5866   22.050   0.6688 1.473000 0.8895000 
1 1 1   -8   18   12 o   22.860   0.4400   22.960   0.5950   22.770   0.6483 0.1892000 0.8799000 
1 1 1   -8   18   13 f   26.310   0.4546   26.300   0.6073   26.330   0.6766 -0.3300000E-01 0.9092000 
1 1 1   -8   18   14 o   29.180   0.4274   28.890   0.5771   29.460   0.6305 -0.5675000 0.8548000 
1 1 1   -8   18   15 o   4.3800   1.1360   5.6470   1.7290   3.1120   1.4720 2.535000 2.271000 
1 1 1   -8   18   16 o   13.430   0.5999   14.020   0.7542   12.850   0.9331 1.170000 1.200000 
1 1 1   -8   18   17 o   16.340   0.5782   16.670   0.7752   16.010   0.8581 0.6571000 1.156000 
1 1 1   -8   18   18 o   15.660   0.5911   15.610   0.8259   15.720   0.8458 -0.1157000 1.182000 
1 1 1   -8   18   19 o   20.560   0.4177   21.170   0.5587   19.940   0.6209 1.225000 0.8353000 
1 1 1   -8   18   20 f   5.1050   1.2070   5.6390   1.6760   4.5720   1.7380 1.068000 2.414000 
1 1 1   -8   18   21 o   11.750   0.6770   10.940   0.9754   12.560   0.9391 -1.628000 1.354000 
1 1 1   -8   18   22 o   6.6150   1.1560   6.9170   1.5260   6.3120   1.7380 0.6047000 2.313000 
1 1 1   -8   18   23 o   9.0230   0.9027   8.8420   1.2590   9.2050   1.2940 -0.3638000 1.805000 
1 1 1   -8   18   24 o   6.7870   1.2430   7.2660   1.6180   6.3080   1.8870 0.9588000 2.486000 
1 1 1   -8   18   25 o   8.1210   1.2430   5.7090   2.0180   10.530   1.4520 -4.824000 2.487000 
1 1 1   -8   18   26 o   3.7370   1.1610   3.7140   1.6160   3.7600   1.6690 -0.4599000E-01 2.323000 
1 1 1   -8   18   27 o   5.2150   1.3760   5.4620   1.9000   4.9670   1.9900 0.4950000 2.752000 
1 1 1   -8   18   28 o   14.490   0.6924   14.570   0.9587   14.400   0.9991 0.1702000 1.385000 
1 1 1   -8   18   29 o   8.6050   1.2260   8.7410   1.7410   8.4690   1.7260 0.2718000 2.451000 
1 1 1   -8   18   30 o   4.9190   1.5110   5.1790   2.2620   4.6590   2.0050 0.5194000 3.023000 
1 1 1   -8   18   31 o   4.1420   1.3000   4.1950   1.8970   4.0900   1.7790 0.1049000 2.600000 
1 1 1   -8   18   32 o   3.7640   1.2170   2.9020   1.4520   4.6250   1.9520 -1.723000 2.433000 
1 1 1   -8   20    1 o   29.690   0.3711   29.960   0.5184   29.410   0.5312 0.5471000 0.7423000 
1 1 1   -8   20    2 o   40.200   0.3549   40.370   0.4989   40.040   0.5048 0.3291000 0.7097000 
1 1 1   -8   20    3 o   58.940   0.4163   58.570   0.5851   59.320   0.5925 -0.7503000 0.8327000 
1 1 1   -8   20    4 o   29.510   0.3702   28.900   0.5239   30.120   0.5231 -1.221000 0.7403000 
1 1 1   -8   20    5 o   24.460   0.4179   24.730   0.5568   24.180   0.6233 0.5555000 0.8358000 
1 1 1   -8   20    6 o   46.340   0.3703   46.540   0.5163   46.140   0.5308 0.3992000 0.7405000 
1 1 1   -8   20    7 o   7.2400   1.2180   8.3680   1.4820   6.1130   1.9340 2.255000 2.436000 
1 1 1   -8   20    8 o   26.610   0.4579   27.330   0.5931   25.890   0.6978 1.439000 0.9158000 
1 1 1   -8   20    9 o   16.130   0.6481   15.240   0.8779   17.020   0.9536 -1.789000 1.296000 
1 1 1   -8   20   10 o   19.360   0.5602   21.230   0.6613   17.500   0.9044 3.728000 1.120000 
1 1 1   -8   20   11 o   8.7190   1.1450   7.5380   1.6440   9.9010   1.5950 -2.363000 2.291000 
1 1 1   -8   20   12 o   19.010   0.4630   19.040   0.6168   18.980   0.6906 0.6608000E-01 0.9259000 
1 1 1   -8   20   13 o   26.120   0.3896   26.040   0.5322   26.200   0.5690 -0.1608000 0.7791000 
1 1 1   -8   20   14 o   23.650   0.4543   23.350   0.6379   23.940   0.6470 -0.5976000 0.9086000 
1 1 1   -8   20   15 o   29.230   0.4175   29.590   0.5910   28.870   0.5898 0.7156000 0.8349000 
1 1 1   -8   20   16 o   17.710   0.4762   17.830   0.6384   17.580   0.7068 0.2491000 0.9524000 
1 1 1   -8   20   17 o   17.470   0.4700   17.570   0.6332   17.370   0.6948 0.1987000 0.9401000 
1 1 1   -8   20   18 f   27.790   0.3626   27.850   0.4970   27.720   0.5280 0.1322000 0.7251000 
1 1 1   -8   20   19 f   22.500   0.4050   22.040   0.5635   22.960   0.5819 -0.9146000 0.8100000 
1 1 1   -8   20   20 o   5.6550   1.1280   7.3750   1.4990   3.9350   1.6860 3.441000 2.255000 
1 1 1   -8   20   21 o   9.7040   0.8502   9.3660   1.2100   10.040   1.1940 -0.6751000 1.700000 
1 1 1   -8   20   22 o   4.1380   1.2020   3.4600   1.5520   4.8160   1.8360 -1.357000 2.404000 
1 1 1   -8   20   23 o   10.020   1.1940   7.8380   1.9700   12.210   1.3480 -4.371000 2.388000 
1 1 1   -8   20   24 o   9.2070   0.9866   8.1880   1.4950   10.230   1.2880 -2.038000 1.973000 
1 1 1   -8   20   25 o   8.0250   1.3100   6.5970   2.1340   9.4540   1.5180 -2.856000 2.619000 
1 1 1   -8   20   26 o   6.9090   1.4750   7.3560   2.0990   6.4620   2.0720 0.8942000 2.950000 
1 1 1   -8   20   27 o   4.5090   1.3370   4.0720   1.8640   4.9460   1.9160 -0.8735000 2.673000 
1 1 1   -8   20   28 o   3.1650   1.1120   3.1870   1.6030   3.1440   1.5410 0.4324000E-01 2.224000 
1 1 1   -8   20   29 o   3.1510   1.0760   3.0170   1.4750   3.2840   1.5670 -0.2671000 2.152000 
1 1 1   -8   20   30 o   3.4640   1.0990   4.4280   1.8040   2.5000   1.2550 1.927000 2.197000 
1 1 1   -8   20   31 o   2.3450   0.8464   1.9910   1.0230   2.7000   1.3490 -0.7093000 1.693000 
1 1 1   -8   22    1 f   43.790   0.4616   44.240   0.7186   43.340   0.5795 0.8970000 0.9231000 
1 1 1   -8   22    2 o   25.580   0.4303   25.540   0.5945   25.630   0.6222 -0.9481000E-01 0.8605000 
1 1 1   -8   22    3 o   14.020   0.6760   14.540   0.8938   13.500   1.0140 1.034000 1.352000 
1 1 1   -8   22    4 o   29.250   0.4064   29.460   0.5600   29.040   0.5892 0.4237000 0.8129000 
1 1 1   -8   22    5 o   10.660   0.8744   11.100   1.1550   10.220   1.3130 0.8830000 1.749000 
1 1 1   -8   22    6 o   23.690   0.4043   23.290   0.5494   24.080   0.5932 -0.7867000 0.8085000 
1 1 1   -8   22    7 o   11.100   0.7729   11.960   0.9447   10.240   1.2230 1.719000 1.546000 
1 1 1   -8   22    8 o   8.7130   0.9673   9.1870   1.2120   8.2390   1.5080 0.9480000 1.935000 
1 1 1   -8   22    9 o   22.300   0.4106   21.850   0.5607   22.760   0.6001 -0.9163000 0.8213000 
1 1 1   -8   22   10 o   22.630   0.4423   21.900   0.6083   23.360   0.6424 -1.456000 0.8847000 
1 1 1   -8   22   11 o   10.130   0.8942   10.600   1.1050   9.6550   1.4060 0.9429000 1.788000 
1 1 1   -8   22   12 o   10.390   0.8560   9.7910   1.2440   11.000   1.1760 -1.206000 1.712000 
1 1 1   -8   22   13 o   10.050   0.7852   9.4680   1.1090   10.630   1.1120 -1.164000 1.570000 
1 1 1   -8   22   14 o   16.540   0.5014   17.210   0.6235   15.880   0.7855 1.327000 1.003000 
1 1 1   -8   22   15 o   18.380   0.4728   18.560   0.6413   18.210   0.6949 0.3557000 0.9456000 
1 1 1   -8   22   16 o   8.8310   0.9931   6.8550   1.6320   10.810   1.1320 -3.952000 1.986000 
1 1 1   -8   22   17 o   14.060   0.6190   14.670   0.7947   13.450   0.9492 1.222000 1.238000 
1 1 1   -8   22   18 o   4.6620   1.2030   5.6090   1.7560   3.7140   1.6440 1.895000 2.405000 
1 1 1   -8   22   19 o   14.290   0.6762   14.240   0.9989   14.350   0.9117 -0.1116000 1.352000 
1 1 1   -8   22   20 o   4.0930   1.3320   3.7620   1.8710   4.4240   1.8980 -0.6617000 2.665000 
1 1 1   -8   22   21 o   5.0530   1.5490   5.2620   2.3820   4.8430   1.9800 0.4185000 3.098000 
1 1 1   -8   22   22 o   4.2410   1.2860   4.3770   1.8890   4.1050   1.7460 0.2721000 2.572000 
1 1 1   -8   22   23 o   4.6380   1.3510   4.5360   1.9610   4.7410   1.8590 -0.2052000 2.702000 
1 1 1   -8   22   24 o   6.2850   1.4380   6.1860   1.9860   6.3840   2.0810 -0.1984000 2.876000 
1 1 1   -8   22   25 o   10.720   0.9311   10.580   1.3130   10.860   1.3200 -0.2815000 1.862000 
1 1 1   -8   22   26 o   6.9980   1.4210   8.2190   1.8820   5.7770   2.1280 2.442000 2.841000 
1 1 1   -8   22   27 o   4.0030   1.2760   3.6690   1.7020   4.3370   1.9010 -0.6677000 2.552000 
1 1 1   -8   22   28 o   3.4910   1.1160   4.2650   1.7800   2.7170   1.3450 1.548000 2.231000 
1 1 1   -8   22   29 o   2.2170   0.8010   2.4150   1.2200   2.0180   1.0390 0.3969000 1.602000 
1 1 1   -8   24    1 o   14.380   0.6267   14.150   0.8789   14.610   0.8936 -0.4680000 1.253000 
1 1 1   -8   24    2 o   14.010   0.6546   13.780   0.9079   14.240   0.9432 -0.4676000 1.309000 
1 1 1   -8   24    3 o   27.780   0.4033   26.990   0.5639   28.580   0.5766 -1.589000 0.8065000 
1 1 1   -8   24    4 o   35.400   0.3881   35.150   0.5418   35.660   0.5558 -0.5069000 0.7762000 
1 1 1   -8   24    5 o   4.5160   1.2820   4.4510   1.7820   4.5810   1.8430 -0.1298000 2.563000 
1 1 1   -8   24    6 o   7.8530   1.1500   8.3670   1.4650   7.3400   1.7730 1.027000 2.300000 
1 1 1   -8   24    7 o   6.4290   1.1310   4.5380   1.7130   8.3210   1.4770 -3.783000 2.262000 
1 1 1   -8   24    8 f   6.2690   1.1780   7.2520   1.4930   5.2870   1.8220 1.965000 2.356000 
1 1 1   -8   24    9 o   13.500   0.6019   13.480   0.8024   13.520   0.8973 -0.3542000E-01 1.204000 
1 1 1   -8   24   10 o   6.8490   1.1570   6.8750   1.5520   6.8230   1.7170 0.5191000E-01 2.314000 
1 1 1   -8   24   11 o   14.610   0.5635   14.420   0.7603   14.800   0.8319 -0.3785000 1.127000 
1 1 1   -8   24   12 o   13.170   0.6343   13.210   0.8400   13.140   0.9507 0.6721000E-01 1.269000 
1 1 1   -8   24   13 o   11.570   0.8314   12.150   1.2040   11.000   1.1470 1.147000 1.663000 
1 1 1   -8   24   14 o   8.4360   1.1510   10.120   1.4640   6.7520   1.7780 3.369000 2.303000 
1 1 1   -8   24   15 o   6.0820   1.2590   8.0380   1.8180   4.1270   1.7400 3.911000 2.517000 
1 1 1   -8   24   16 o   17.650   0.5999   18.030   0.9072   17.270   0.7851 0.7596000 1.200000 
1 1 1   -8   24   17 o   4.0350   1.2710   4.2630   1.8940   3.8080   1.6940 0.4547000 2.541000 
1 1 1   -8   24   18 o   4.0730   1.2990   3.6350   1.7230   4.5110   1.9440 -0.8764000 2.597000 
1 1 1   -8   24   19 o   9.1130   1.3250   8.9170   1.9830   9.3090   1.7570 -0.3926000 2.649000 
1 1 1   -8   24   20 o   4.8590   1.3070   4.4070   1.7910   5.3110   1.9040 -0.9043000 2.614000 
1 1 1   -8   24   21 o   4.4390   1.2860   3.7850   1.6910   5.0930   1.9390 -1.308000 2.573000 
1 1 1   -8   24   22 o   9.5280   1.1910   9.7230   1.5610   9.3330   1.8000 0.3901000 2.382000 
1 1 1   -8   24   23 o   3.4110   1.1280   3.3640   1.5690   3.4590   1.6210 -0.9496000E-01 2.256000 
1 1 1   -8   24   24 f   3.8670   1.2820   4.1730   1.9160   3.5610   1.7040 0.6122000 2.564000 
1 1 1   -8   24   25 o   10.880   1.0540   11.250   1.3950   10.500   1.5800 0.7527000 2.107000 
1 1 1   -8   24   26 o   2.9800   1.0170   2.4540   1.2260   3.5060   1.6220 -1.052000 2.033000 
1 1 1   -8   24   27 o   3.2080   1.0900   3.7230   1.7110   2.6930   1.3500 1.030000 2.179000 
1 1 1   -8   24   28 o   1.1590   0.4279   1.1650   0.6085   1.1520   0.6018 0.1288000E-01 0.8559000 
1 1 1   -8   26    1 o   4.5130   1.2160   4.1220   1.6710   4.9050   1.7670 -0.7824000 2.432000 
1 1 1   -8   26    2 o   19.750   0.4268   18.880   0.6140   20.620   0.5929 -1.743000 0.8535000 
1 1 1   -8   26    3 o   21.190   0.4100   20.760   0.5810   21.620   0.5786 -0.8593000 0.8199000 
1 1 1   -8   26    4 o   3.5630   1.1010   3.0570   1.4260   4.0680   1.6780 -1.011000 2.202000 
1 1 1   -8   26    5 o   7.4980   1.2240   7.9250   1.7200   7.0720   1.7420 0.8530000 2.448000 
1 1 1   -8   26    6 o   26.280   0.4664   25.440   0.7557   27.110   0.5467 -1.672000 0.9327000 
1 1 1   -8   26    7 o   23.530   0.4921   23.550   0.7869   23.510   0.5912 0.4270000E-01 0.9842000 
1 1 1   -8   26    8 o   13.870   0.9111  ?   ?    13.870   0.9111      ?      ? 
1 1 1   -8   26    9 o   11.820   0.8849   10.620   1.4800   13.030   0.9708 -2.411000 1.770000 
1 1 1   -8   26   10 o   17.960   0.5911   17.040   0.9482   18.870   0.7061 -1.830000 1.182000 
1 1 1   -8   26   11 o   6.1820   1.3690   5.6680   2.0540   6.6960   1.8100 -1.028000 2.738000 
1 1 1   -8   26   12 o   13.310   0.6704   13.360   0.8782   13.250   1.0130 0.1098000 1.341000 
1 1 1   -8   26   13 o   6.1750   1.2810   6.7640   1.6850   5.5860   1.9290 1.178000 2.561000 
1 1 1   -8   26   14 o   7.5510   1.3150   9.1880   1.5710   5.9150   2.1100 3.273000 2.630000 
1 1 1   -8   26   15 o   14.180   0.7992   14.520   1.0510   13.830   1.2040 0.6867000 1.598000 
1 1 1   -8   26   16 o   12.890   0.7298   12.930   0.9989   12.850   1.0640 0.8581000E-01 1.460000 
1 1 1   -8   26   17 o   5.4420   1.3430   5.7550   1.8840   5.1280   1.9150 0.6275000 2.686000 
1 1 1   -8   26   18 o   8.7000   1.1080   8.3050   1.5280   9.0940   1.6040 -0.7892000 2.216000 
1 1 1   -8   26   19 o   4.9490   1.4010   5.0510   1.9590   4.8460   2.0030 0.2053000 2.801000 
1 1 1   -8   26   20 o   7.4750   1.4110   7.3060   1.9560   7.6440   2.0340 -0.3388000 2.822000 
1 1 1   -8   26   21 o   2.8380   0.9846   2.8370   1.3860   2.8400   1.3990 -0.2769000E-02 1.969000 
1 1 1   -8   26   22 o   6.0780   1.4510   4.8910   1.9820   7.2650   2.1200 -2.374000 2.902000 
1 1 1   -8   26   23 o   3.0560   1.0420   3.2540   1.5420   2.8590   1.4030 0.3945000 2.084000 
1 1 1   -8   26   24 o   4.1090   1.2470   4.3590   1.8100   3.8590   1.7160 0.4997000 2.494000 
1 1 1   -8   26   25 o   3.2210   1.0980   3.7080   1.7160   2.7330   1.3690 0.9750000 2.196000 
1 1 1   -8   28    1 o   8.1400   1.2760   8.8630   1.9570   7.4170   1.6380 1.446000 2.552000 
1 1 1   -8   28    2 o   8.1340   1.2680   9.2450   1.9050   7.0220   1.6730 2.223000 2.536000 
1 1 1   -8   28    3 o   4.8010   1.3580   4.9790   2.0540   4.6220   1.7750 0.3561000 2.715000 
1 1 1   -8   28    4 o   6.3930   1.2990   6.9900   1.6860   5.7960   1.9750 1.194000 2.597000 
1 1 1   -8   28    5 o   7.0260   1.2110   6.5420   1.7290   7.5100   1.6970 -0.9680000 2.423000 
1 1 1   -8   28    6 o   6.6280   1.2620   5.8790   1.8060   7.3780   1.7630 -1.499000 2.524000 
1 1 1   -8   28    7 o   8.2940   1.1070   9.8530   1.2080   6.7350   1.8540 3.117000 2.213000 
1 1 1   -8   28    8 o   12.410   0.8279   12.500   1.1150   12.310   1.2240 0.1882000 1.656000 
1 1 1   -8   28    9 o   7.8310   1.3280   7.4140   1.8850   8.2480   1.8700 -0.8341000 2.655000 
1 1 1   -8   28   10 o   14.920   0.7465   14.790   1.0300   15.050   1.0810 -0.2583000 1.493000 
1 1 1   -8   28   11 o   9.3670   1.1910   9.6620   1.5990   9.0720   1.7650 0.5900000 2.382000 
1 1 1   -8   28   12 o   6.6690   1.2770   6.2310   1.8070   7.1070   1.8060 -0.8753000 2.555000 
1 1 1   -8   28   13 o   8.6290   1.0840   9.1470   1.3670   8.1110   1.6830 1.036000 2.169000 
1 1 1   -8   28   14 o   5.5730   1.2790   6.7040   1.7760   4.4420   1.8410 2.261000 2.558000 
1 1 1   -8   28   15 o   3.6650   1.1930   3.8110   1.7200   3.5190   1.6550 0.2917000 2.387000 
1 1 1   -8   28   16 o   4.2900   1.2730   5.2500   1.9740   3.3310   1.6070 1.919000 2.545000 
1 1 1   -8   28   17 f   3.2480   1.1080   2.9090   1.4260   3.5870   1.6970 -0.6781000 2.216000 
1 1 1   -8   28   18 o   5.4730   1.3720   5.9370   1.9180   5.0100   1.9630 0.9276000 2.744000 
1 1 1   -8   28   19 o   4.0600   1.2820   3.5020   1.6380   4.6190   1.9730 -1.117000 2.565000 
1 1 1   -8   28   20 o   3.7810   1.1740   4.9540   1.9460   2.6080   1.3130 2.346000 2.348000 
1 1 1   -8   28   21 o   4.8000   1.3130   4.2210   1.7630   5.3790   1.9470 -1.158000 2.626000 
1 1 1   -8   28   22 o   2.8340   0.9743   3.1760   1.4990   2.4920   1.2450 0.6845000 1.949000 
1 1 1   -8   28   23 o   3.2380   1.1280   2.6880   1.3650   3.7890   1.7960 -1.100000 2.256000 
1 1 1   -8   30    1 o   30.210   0.3873   30.240   0.5432   30.180   0.5522 0.5566000E-01 0.7745000 
1 1 1   -8   30    2 o   13.360   0.6944   13.020   0.9923   13.710   0.9716 -0.6926000 1.389000 
1 1 1   -8   30    3 o   4.2560   1.2190   5.0550   1.8480   3.4570   1.5910 1.599000 2.438000 
1 1 1   -8   30    4 o   4.3420   1.2230   5.2930   1.8630   3.3910   1.5860 1.902000 2.447000 
1 1 1   -8   30    5 o   10.470   0.8933   10.100   1.2470   10.830   1.2800 -0.7296000 1.787000 
1 1 1   -8   30    6 o   14.580   0.6492   13.860   0.9226   15.300   0.9136 -1.440000 1.298000 
1 1 1   -8   30    7 o   5.5230   1.2820   6.7340   1.8130   4.3130   1.8150 2.421000 2.565000 
1 1 1   -8   30    8 o   4.0150   1.2200   4.3490   1.7830   3.6800   1.6660 0.6690000 2.440000 
1 1 1   -8   30    9 o   4.8260   1.2730   3.1330   1.4800   6.5190   2.0700 -3.386000 2.545000 
1 1 1   -8   30   10 o   9.2170   1.2180   10.510   1.3940   7.9270   1.9990 2.580000 2.437000 
1 1 1   -8   30   11 o   10.940   1.0000   10.070   1.4780   11.800   1.3480 -1.731000 2.001000 
1 1 1   -8   30   12 o   3.9400   1.2420   4.4390   1.8670   3.4410   1.6370 0.9977000 2.483000 
1 1 1   -8   30   13 o   4.9490   1.2990   5.6960   1.8730   4.2010   1.7990 1.495000 2.597000 
1 1 1   -8   30   14 o   2.6050   0.9140   2.9010   1.4040   2.3080   1.1710 0.5927000 1.828000 
1 1 1   -8   30   15 o   5.7650   1.4480   5.9380   2.0040   5.5920   2.0910 0.3462000 2.897000 
1 1 1   -8   30   16 o   3.7960   1.2160   4.3460   1.8540   3.2450   1.5730 1.100000 2.431000 
1 1 1   -8   30   17 o   3.5730   1.1150   4.5490   1.8160   2.5970   1.2930 1.951000 2.230000 
1 1 1   -8   30   18 o   4.8850   1.3090   5.3720   1.8780   4.3980   1.8240 0.9733000 2.618000 
1 1 1   -8   30   19 o   4.5390   1.2720   5.0000   1.8470   4.0770   1.7490 0.9232000 2.544000 
1 1 1   -8   30   20 o   1.9310   0.7108   1.9380   1.0090   1.9240   1.0020 0.1422000E-01 1.422000 
1 1 1   -8   32    1 o   6.2290   1.3290   7.0280   1.8110   5.4300   1.9460 1.598000 2.658000 
1 1 1   -8   32    2 o   4.0910   1.2330   3.4700   1.5950   4.7130   1.8810 -1.243000 2.466000 
1 1 1   -8   32    3 o   7.7580   1.2350   6.5670   1.8790   8.9500   1.6040 -2.383000 2.471000 
1 1 1   -8   32    4 o   15.490   0.6340   15.350   0.8636   15.620   0.9285 -0.2685000 1.268000 
1 1 1   -8   32    5 o   5.0740   1.1960   6.8040   1.7960   3.3440   1.5810 3.460000 2.393000 
1 1 1   -8   32    6 o   12.730   0.7635   12.010   1.0750   13.440   1.0850 -1.430000 1.527000 
1 1 1   -8   32    7 o   7.6070   1.2580   6.7430   1.8610   8.4710   1.6920 -1.728000 2.515000 
1 1 1   -8   32    8 o   5.1870   1.3230   6.7040   1.9740   3.6690   1.7620 3.035000 2.646000 
1 1 1   -8   32    9 o   5.8630   1.4320   6.1930   1.9850   5.5330   2.0650 0.6601000 2.864000 
1 1 1   -8   32   10 o   3.6420   1.1910   3.3880   1.5900   3.8960   1.7730 -0.5084000 2.381000 
1 1 1   -8   32   11 o   3.1840   1.0810   3.0530   1.4740   3.3160   1.5830 -0.2630000 2.163000 
1 1 1   -8   32   12 o   2.4040   0.8524   2.4010   1.2030   2.4080   1.2080 -0.6821000E-02 1.705000 
1 1 1   -8   32   13 o   3.1410   1.0440   3.5160   1.5900   2.7650   1.3540 0.7506000 2.089000 
1 1 1   -8   32   14 o   2.2240   0.7949   2.1660   1.0960   2.2820   1.1510 -0.1165000 1.590000 
1 1 1   -8   32   15 o   3.9590   1.1860   4.5690   1.7950   3.3490   1.5520 1.220000 2.373000 
1 1 1   -8   34    1 o   3.6570   1.1460   2.9730   1.4280   4.3420   1.7930 -1.369000 2.292000 
1 1 1   -8   34    2 o   2.9710   1.0060   3.4260   1.5740   2.5150   1.2530 0.9112000 2.012000 
1 1 1   -8   34    3 o   3.1950   1.0630   3.5930   1.6130   2.7960   1.3850 0.7969000 2.126000 
1 1 1   -8   34    4 o   3.6330   1.1390   4.2780   1.7670   2.9890   1.4370 1.289000 2.277000 
1 1 1   -8   34    5 o   2.9550   1.0040   2.7320   1.3330   3.1790   1.5020 -0.4467000 2.008000 
1 1 1   -8   34    6 o   2.5700   0.9009   2.1770   1.1010   2.9640   1.4260 -0.7871000 1.802000 
1 1 1   -8   34    7 o   3.5740   1.1390   3.2850   1.5240   3.8620   1.6920 -0.5765000 2.277000 
1 1 1   -8   34    8 o   2.7890   0.9575   3.1110   1.4680   2.4680   1.2290 0.6432000 1.915000 
1 1 1   -8   34    9 o   2.3700   0.8392   2.3730   1.1850   2.3670   1.1880 0.5693000E-02 1.678000 
1 1 1   -7    1    1 o   50.570   0.4521   50.850   0.6425   50.300   0.6362 0.5512000 0.9042000 
1 1 1   -7    1    2 o   30.310   0.2250   29.810   0.3143   30.810   0.3222 -1.003000 0.4501000 
1 1 1   -7    1    3 o   46.190   0.2925   45.610   0.4085   46.770   0.4188 -1.162000 0.5851000 
1 1 1   -7    1    4 o   62.290   0.3931   62.200   0.5552   62.380   0.5565 -0.1826000 0.7861000 
1 1 1   -7    1    5 o   26.180   0.3608   26.180   0.3608  ?   ?       ?      ? 
1 1 1   -7    1    6 o   11.420   0.2314   11.150   0.3605   11.680   0.2901 -0.5267000 0.4628000 
1 1 1   -7    1    7 o   31.660   0.2343   31.890   0.3564   31.420   0.3041 0.4721000 0.4686000 
1 1 1   -7    1    8 o   32.470   0.2242   32.360   0.3157   32.580   0.3186 -0.2184000 0.4485000 
1 1 1   -7    1    9 o   22.580   0.1935   22.640   0.2728   22.520   0.2744 0.1212000 0.3869000 
1 1 1   -7    1   10 o   13.860   0.2728   13.990   0.3751   13.740   0.3963 0.2499000 0.5456000 
1 1 1   -7    1   11 o   37.440   0.3646   37.350   0.5157   37.520   0.5155 -0.1627000 0.7292000 
1 1 1   -7    1   12 o   13.400   0.2697   13.180   0.3871   13.610   0.3755 -0.4331000 0.5393000 
1 1 1   -7    1   13 o   53.970   0.3534   54.260   0.5023   53.690   0.4973 0.5612000 0.7068000 
1 1 1   -7    1   14 o   51.350   0.3408   51.520   0.4827   51.190   0.4812 0.3294000 0.6816000 
1 1 1   -7    1   15 o   13.740   0.3459   14.140   0.4771   13.350   0.5010 0.7830000 0.6918000 
1 1 1   -7    1   16 o   22.130   0.3358   21.940   0.4770   22.330   0.4727 -0.3904000 0.6715000 
1 1 1   -7    1   17 o   91.260   0.5832   91.480   0.8267   91.040   0.8229 0.4372000 1.166000 
1 1 1   -7    1   18 f   33.920   0.2995   34.320   0.4178   33.510   0.4292 0.8101000 0.5990000 
1 1 1   -7    1   19 o   15.310   0.6392   15.300   0.9116   15.320   0.8963 -0.2723000E-01 1.278000 
1 1 1   -7    1   20 o   15.640   0.5868   16.090   0.7743   15.180   0.8818 0.9123000 1.174000 
1 1 1   -7    1   21 o   83.240   0.5418   83.080   0.7653   83.400   0.7672 -0.3230000 1.084000 
1 1 1   -7    1   22 o   33.400   0.3308   33.640   0.4650   33.150   0.4706 0.4912000 0.6616000 
1 1 1   -7    1   23 o   46.430   0.3519   46.150   0.4952   46.710   0.5002 -0.5577000 0.7038000 
1 1 1   -7    1   24 o   25.600   0.5145   25.300   0.7179   25.900   0.7373 -0.5946000 1.029000 
1 1 1   -7    1   25 f   18.030   0.4236   18.600   0.5757   17.470   0.6216 1.126000 0.8472000 
1 1 1   -7    1   26 o   8.7580   0.7938   8.3040   1.1780   9.2120   1.0650 -0.9085000 1.588000 
1 1 1   -7    1   27 o   5.3360   1.0920   6.4060   1.4990   4.2660   1.5900 2.140000 2.185000 
1 1 1   -7    1   28 o   8.1360   0.8625   8.5240   1.1440   7.7480   1.2920 0.7767000 1.725000 
1 1 1   -7    1   29 o   15.990   0.4544   16.110   0.6354   15.870   0.6498 0.2440000 0.9088000 
1 1 1   -7    1   30 o   9.2780   0.8131   9.0170   1.1890   9.5390   1.1100 -0.5219000 1.626000 
1 1 1   -7    1   31 o   9.3960   0.8699   10.210   1.1140   8.5810   1.3360 1.631000 1.740000 
1 1 1   -7    1   32 o   3.8280   1.2420   3.7750   1.7320   3.8820   1.7800 -0.1070000 2.484000 
1 1 1   -7    1   33 o   5.1450   1.2980   5.9480   1.8740   4.3420   1.7960 1.606000 2.596000 
1 1 1   -7    1   34 o   4.5580   1.3170   4.3570   1.8390   4.7590   1.8860 -0.4023000 2.634000 
1 1 1   -7    1   35 o   8.0840   1.2350   9.2940   1.5440   6.8750   1.9280 2.420000 2.470000 
1 1 1   -7    1   36 o   3.4170   1.1880   3.2940   1.6330   3.5400   1.7260 -0.2460000 2.376000 
1 1 1   -7    1   37 o   2.6510   0.9308   2.5760   1.2850   2.7260   1.3470 -0.1495000 1.862000 
1 1 1   -7    3    1 o  121.100   0.8795  120.800   1.2410  121.400   1.2470 -0.5891000 1.759000 
1 1 1   -7    3    2 o   60.640   0.4428   60.930   0.6293   60.340   0.6231 0.5883000 0.8856000 
1 1 1   -7    3    3 o   16.910   0.1854   16.180   0.2625   17.630   0.2620 -1.442000 0.3708000 
1 1 1   -7    3    4 f  141.200   1.0260  141.000   1.4490  141.300   1.4520 -0.3465000 2.051000 
1 1 1   -7    3    5 f  142.200   1.0320  143.000   1.4680  141.300   1.4510 1.674000 2.065000 
1 1 1   -7    3    6 o  104.900   0.6610  105.000   0.9354  104.900   0.9342 0.9726000E-01 1.322000 
1 1 1   -7    3    7 o  108.700   0.6842  108.400   0.9650  109.000   0.9702 -0.5916000 1.368000 
1 1 1   -7    3    8 o   64.170   0.4095   64.620   0.5828   63.720   0.5754 0.8988000 0.8190000 
1 1 1   -7    3    9 o   82.770   0.6060   83.150   0.8603   82.390   0.8537 0.7646000 1.212000 
1 1 1   -7    3   10 o   17.970   0.3079   17.900   0.4391   18.040   0.4319 -0.1421000 0.6159000 
1 1 1   -7    3   11 o   41.620   0.3260   41.720   0.4618   41.530   0.4603 0.1959000 0.6520000 
1 1 1   -7    3   12 o   27.310   0.2287   27.410   0.3233   27.220   0.3237 0.1860000 0.4575000 
1 1 1   -7    3   13 o   35.780   0.2608   35.650   0.3656   35.920   0.3720 -0.2703000 0.5216000 
1 1 1   -7    3   14 o   49.250   0.3312   49.010   0.4658   49.480   0.4709 -0.4668000 0.6624000 
1 1 1   -7    3   15 o   16.350   0.3130   16.670   0.4284   16.030   0.4564 0.6459000 0.6260000 
1 1 1   -7    3   16 f   31.500   0.2817   31.330   0.3987   31.670   0.3980 -0.3377000 0.5634000 
1 1 1   -7    3   17 o   58.790   0.3952   58.660   0.5564   58.920   0.5615 -0.2575000 0.7905000 
1 1 1   -7    3   18 o   54.450   0.3766   54.330   0.5288   54.580   0.5364 -0.2486000 0.7532000 
1 1 1   -7    3   19 o   33.260   0.4409   33.130   0.6150   33.390   0.6320 -0.2636000 0.8818000 
1 1 1   -7    3   20 o   28.800   0.3819   28.730   0.5145   28.870   0.5643 -0.1443000 0.7637000 
1 1 1   -7    3   21 o   38.070   0.3309   37.740   0.4667   38.400   0.4691 -0.6621000 0.6617000 
1 1 1   -7    3   22 o   32.280   0.3277   32.270   0.4575   32.300   0.4693 -0.3395000E-01 0.6554000 
1 1 1   -7    3   23 o   16.700   0.4606   16.720   0.6524   16.670   0.6503 0.5482000E-01 0.9212000 
1 1 1   -7    3   24 o   11.100   0.9903   11.360   1.3370   10.850   1.4610 0.5069000 1.981000 
1 1 1   -7    3   25 o   31.490   0.3152   31.570   0.4405   31.400   0.4509 0.1647000 0.6303000 
1 1 1   -7    3   26 o   34.390   0.3176   34.110   0.4433   34.660   0.4549 -0.5516000 0.6352000 
1 1 1   -7    3   27 o   14.200   0.4868   14.300   0.6548   14.090   0.7204 0.2166000 0.9736000 
1 1 1   -7    3   28 o   16.300   0.4478   15.340   0.6520   17.260   0.6140 -1.917000 0.8955000 
1 1 1   -7    3   29 o   10.600   0.6717   10.090   0.9999   11.100   0.8970 -1.007000 1.343000 
1 1 1   -7    3   30 o   5.6920   1.1590   6.7960   1.5390   4.5880   1.7330 2.209000 2.318000 
1 1 1   -7    3   31 o   4.8930   1.2410   4.5710   1.7340   5.2150   1.7760 -0.6437000 2.483000 
1 1 1   -7    3   32 o   6.1540   1.5000   6.3280   2.0600   5.9800   2.1800 0.3475000 2.999000 
1 1 1   -7    3   33 o   4.3380   1.2770   4.3300   1.7940   4.3460   1.8180 -0.1627000E-01 2.554000 
1 1 1   -7    3   34 o   3.9050   1.2160   4.3590   1.8270   3.4500   1.6060 0.9085000 2.432000 
1 1 1   -7    3   35 o   3.4290   1.1360   3.1440   1.5040   3.7140   1.7040 -0.5700000 2.272000 
1 1 1   -7    3   36 o   3.0990   1.0970   2.7600   1.3990   3.4390   1.6910 -0.6785000 2.194000 
1 1 1   -7    3   37 o   2.6220   0.9218   2.7650   1.3630   2.4790   1.2410 0.2855000 1.844000 
1 1 1   -7    5    1 o  137.400   0.9982  137.100   1.4080  137.800   1.4160 -0.7364000 1.996000 
1 1 1   -7    5    2 o   74.170   0.6070   74.060   0.7660   74.280   0.9418 -0.2194000 1.214000 
1 1 1   -7    5    3 o  137.900   1.0020  137.900   1.4160  138.000   1.4170 -0.1074000 2.003000 
1 1 1   -7    5    4 o  108.400   0.7883  108.300   1.1140  108.400   1.1160 -0.1250000 1.577000 
1 1 1   -7    5    5 o  112.200   0.7066  111.900   0.9966  112.500   1.0020 -0.5763000 1.413000 
1 1 1   -7    5    6 o   31.720   0.2310   31.790   0.3270   31.650   0.3264 0.1425000 0.4620000 
1 1 1   -7    5    7 o   19.100   0.2146   19.050   0.3003   19.160   0.3066 -0.1091000 0.4292000 
1 1 1   -7    5    8 o   26.420   0.3059   25.120   0.4166   27.730   0.4480 -2.610000 0.6118000 
1 1 1   -7    5    9 f   88.210   0.6472   88.310   0.9163   88.110   0.9142 0.1985000 1.294000 
1 1 1   -7    5   10 f   42.180   0.3329   42.450   0.4741   41.920   0.4675 0.5256000 0.6659000 
1 1 1   -7    5   11 o   8.8170   0.4307   8.8560   0.6085   8.7780   0.6097 0.7812000E-01 0.8614000 
1 1 1   -7    5   12 o   15.200   0.2828   15.420   0.3926   14.990   0.4070 0.4265000 0.5655000 
1 1 1   -7    5   13 o   44.570   0.3075   44.430   0.4328   44.720   0.4370 -0.2967000 0.6150000 
1 1 1   -7    5   14 o   29.760   0.2583   29.700   0.3623   29.820   0.3683 -0.1178000 0.5166000 
1 1 1   -7    5   15 o   12.270   0.4355   12.400   0.5961   12.140   0.6350 0.2596000 0.8709000 
1 1 1   -7    5   16 o   27.640   0.3225   28.410   0.4055   26.860   0.5017 1.545000 0.6451000 
1 1 1   -7    5   17 o   39.160   0.3131   39.340   0.4405   38.980   0.4452 0.3577000 0.6263000 
1 1 1   -7    5   18 o   19.400   0.4557   18.950   0.6440   19.860   0.6448 -0.9179000 0.9113000 
1 1 1   -7    5   19 o   44.750   0.3986   44.800   0.5509   44.700   0.5762 0.9916000E-01 0.7972000 
1 1 1   -7    5   20 f   10.740   0.7357   10.630   1.0200   10.860   1.0610 -0.2293000 1.471000 
1 1 1   -7    5   21 o   45.820   0.3563   45.550   0.5016   46.100   0.5062 -0.5514000 0.7126000 
1 1 1   -7    5   22 o   7.7030   0.9995   7.0730   1.4880   8.3330   1.3350 -1.260000 1.999000 
1 1 1   -7    5   23 o   25.930   0.4015   25.580   0.5386   26.280   0.5956 -0.6942000 0.8029000 
1 1 1   -7    5   24 f   7.6970   1.0980   7.5650   1.5380   7.8300   1.5670 -0.2654000 2.196000 
1 1 1   -7    5   25 o   21.170   0.3653   21.410   0.4943   20.930   0.5379 0.4822000 0.7305000 
1 1 1   -7    5   26 o   7.1590   0.9879   7.9170   1.2240   6.4020   1.5510 1.514000 1.976000 
1 1 1   -7    5   27 o   16.500   0.4472   16.580   0.6058   16.430   0.6579 0.1467000 0.8944000 
1 1 1   -7    5   28 o   9.6290   0.7541   11.040   0.8510   8.2210   1.2450 2.817000 1.508000 
1 1 1   -7    5   29 o   11.010   0.6589   9.7480   0.9969   12.270   0.8617 -2.520000 1.318000 
1 1 1   -7    5   30 o   4.7400   1.0550   6.4590   1.5670   3.0220   1.4140 3.437000 2.111000 
1 1 1   -7    5   31 o   6.0110   1.2520   7.6390   1.7570   4.3840   1.7850 3.255000 2.505000 
1 1 1   -7    5   32 o   3.8910   1.2240   4.1110   1.7650   3.6720   1.6960 0.4383000 2.448000 
1 1 1   -7    5   33 o   14.870   0.6395   14.590   0.9151   15.140   0.8936 -0.5505000 1.279000 
1 1 1   -7    5   34 o   4.6430   1.3120   5.0240   1.8970   4.2630   1.8150 0.7613000 2.625000 
1 1 1   -7    5   35 o   3.8830   1.2610   3.4140   1.6230   4.3520   1.9290 -0.9383000 2.521000 
1 1 1   -7    5   36 o   2.8910   1.0160   3.0560   1.5040   2.7270   1.3650 0.3286000 2.031000 
1 1 1   -7    5   37 o   2.3360   0.8340   2.3980   1.2060   2.2730   1.1520 0.1254000 1.668000 
1 1 1   -7    7    1 o   84.810   0.5372   85.060   0.7619   84.550   0.7574 0.5087000 1.074000 
1 1 1   -7    7    2 o   67.930   0.4335   67.910   0.6128   67.950   0.6133 -0.3706000E-01 0.8670000 
1 1 1   -7    7    3 o   60.790   0.3912   60.880   0.5537   60.710   0.5527 0.1697000 0.7823000 
1 1 1   -7    7    4 o   48.210   0.3194   48.740   0.4561   47.670   0.4472 1.076000 0.6388000 
1 1 1   -7    7    5 o   13.470   0.3948   13.350   0.6335   13.590   0.4713 -0.2438000 0.7896000 
1 1 1   -7    7    6 o   59.580   0.4459   59.600   0.6307   59.560   0.6305 0.3677000E-01 0.8918000 
1 1 1   -7    7    7 o   53.810   0.4081   53.540   0.5744   54.080   0.5800 -0.5381000 0.8163000 
1 1 1   -7    7    8 o   44.630   0.3515   44.770   0.4985   44.500   0.4956 0.2661000 0.7030000 
1 1 1   -7    7    9 o   25.110   0.2751   25.290   0.3903   24.940   0.3878 0.3435000 0.5502000 
1 1 1   -7    7   10 o   49.750   0.3333   50.010   0.4732   49.490   0.4696 0.5171000 0.6667000 
1 1 1   -7    7   11 o   31.050   0.2707   31.050   0.4047   31.040   0.3597 0.2348000E-02 0.5414000 
1 1 1   -7    7   12 o   43.170   0.3038   43.130   0.4292   43.200   0.4301 -0.6948000E-01 0.6076000 
1 1 1   -7    7   13 o   44.920   0.3651   44.230   0.5117   45.610   0.5210 -1.379000 0.7303000 
1 1 1   -7    7   14 o   15.650   0.3584   15.550   0.4993   15.760   0.5143 -0.2066000 0.7168000 
1 1 1   -7    7   15 o   72.810   0.4740   72.940   0.6708   72.680   0.6699 0.2632000 0.9480000 
1 1 1   -7    7   16 f   37.960   0.3069   38.100   0.4325   37.810   0.4356 0.2920000 0.6138000 
1 1 1   -7    7   17 o   45.110   0.3991   44.800   0.5616   45.410   0.5673 -0.6144000 0.7982000 
1 1 1   -7    7   18 o   28.140   0.6471   28.140   0.6471  ?   ?       ?      ? 
1 1 1   -7    7   19 o   22.650   0.4279   22.940   0.5632   22.360   0.6443 0.5766000 0.8557000 
1 1 1   -7    7   20 o   5.9300   1.2100   5.3880   1.7270   6.4710   1.6940 -1.083000 2.419000 
1 1 1   -7    7   21 o   33.110   0.3360   32.860   0.4681   33.360   0.4822 -0.4971000 0.6720000 
1 1 1   -7    7   22 o   33.640   0.3849   33.770   0.5217   33.510   0.5661 0.2605000 0.7698000 
1 1 1   -7    7   23 o   13.850   0.7673   14.380   0.9762   13.320   1.1840 1.061000 1.535000 
1 1 1   -7    7   24 o   11.340   0.7359   11.250   1.0370   11.430   1.0450 -0.1810000 1.472000 
1 1 1   -7    7   25 o   24.270   0.3731   24.700   0.4755   23.840   0.5751 0.8599000 0.7462000 
1 1 1   -7    7   26 o   15.440   0.4774   15.360   0.6493   15.520   0.7001 -0.1600000 0.9548000 
1 1 1   -7    7   27 o   11.420   0.6336   11.000   0.8911   11.840   0.9009 -0.8345000 1.267000 
1 1 1   -7    7   28 o   16.450   0.4633   16.160   0.6390   16.740   0.6712 -0.5825000 0.9267000 
1 1 1   -7    7   29 o   12.700   0.5885   12.900   0.7805   12.510   0.8810 0.3891000 1.177000 
1 1 1   -7    7   30 o   5.2080   1.1880   6.1350   1.6350   4.2810   1.7230 1.854000 2.375000 
1 1 1   -7    7   31 o   12.710   0.8517   12.160   1.1310   13.260   1.2740 -1.108000 1.703000 
1 1 1   -7    7   32 o   10.170   0.9709   10.180   1.2770   10.170   1.4630 0.1313000E-01 1.942000 
1 1 1   -7    7   33 o   5.9190   1.3640   6.0420   1.9230   5.7960   1.9350 0.2460000 2.728000 
1 1 1   -7    7   34 o   5.4240   1.3750   5.0200   1.8920   5.8290   1.9950 -0.8083000 2.750000 
1 1 1   -7    7   35 o   5.7570   1.5180   5.2930   2.0530   6.2210   2.2370 -0.9289000 3.036000 
1 1 1   -7    7   36 o   3.5330   1.1790   3.0110   1.4830   4.0540   1.8330 -1.043000 2.357000 
1 1 1   -7    7   37 o   2.4030   0.8541   2.6770   1.3200   2.1290   1.0840 0.5477000 1.708000 
1 1 1   -7    9    1 o   44.460   0.3478   44.280   0.4904   44.640   0.4933 -0.3596000 0.6956000 
1 1 1   -7    9    2 o   72.310   0.5339   72.190   0.7538   72.420   0.7562 -0.2315000 1.068000 
1 1 1   -7    9    3 o   35.440   0.3365   35.330   0.4245   35.560   0.5222 -0.2344000 0.6730000 
1 1 1   -7    9    4 o   36.600   0.2684   36.700   0.3788   36.500   0.3805 0.2055000 0.5369000 
1 1 1   -7    9    5 o   39.480   0.3269   38.780   0.4598   40.170   0.4648 -1.385000 0.6538000 
1 1 1   -7    9    6 o   23.510   0.2887   23.850   0.4098   23.170   0.4068 0.6784000 0.5775000 
1 1 1   -7    9    7 o   13.370   0.4022   13.730   0.5566   13.000   0.5808 0.7231000 0.8045000 
1 1 1   -7    9    8 o   26.920   0.2547   26.840   0.3589   27.000   0.3615 -0.1606000 0.5094000 
1 1 1   -7    9    9 o   25.600   0.2577   25.990   0.3607   25.210   0.3680 0.7841000 0.5153000 
1 1 1   -7    9   10 o   30.050   0.2646   30.330   0.3727   29.770   0.3758 0.5598000 0.5293000 
1 1 1   -7    9   11 o   54.900   0.3686   55.080   0.5227   54.710   0.5199 0.3732000 0.7372000 
1 1 1   -7    9   12 o   53.550   0.3639   53.700   0.5147   53.400   0.5146 0.3021000 0.7278000 
1 1 1   -7    9   13 o   23.300   0.3088   23.340   0.4326   23.270   0.4408 0.7346000E-01 0.6176000 
1 1 1   -7    9   14 o   69.050   0.4541   68.790   0.6390   69.310   0.6454 -0.5208000 0.9082000 
1 1 1   -7    9   15 o   37.130   0.3414   37.770   0.4395   36.480   0.5226 1.293000 0.6828000 
1 1 1   -7    9   16 o   57.900   0.4645   57.490   0.6535   58.310   0.6602 -0.8126000 0.9289000 
1 1 1   -7    9   17 o   24.040   0.4569   23.310   0.5371   24.780   0.7392 -1.471000 0.9138000 
1 1 1   -7    9   18 o   37.040   0.3737   37.550   0.5184   36.540   0.5384 1.009000 0.7475000 
1 1 1   -7    9   19 o   33.910   0.3370   34.180   0.4707   33.630   0.4825 0.5425000 0.6741000 
1 1 1   -7    9   20 o   36.920   0.3341   37.010   0.4707   36.830   0.4741 0.1808000 0.6681000 
1 1 1   -7    9   21 o   44.400   0.3836   44.270   0.4953   44.530   0.5860 -0.2571000 0.7673000 
1 1 1   -7    9   22 o   7.3480   1.1600   6.6530   1.6130   8.0420   1.6680 -1.389000 2.320000 
1 1 1   -7    9   23 o   28.420   0.3887   28.460   0.5480   28.380   0.5515 0.8084000E-01 0.7774000 
1 1 1   -7    9   24 o   30.990   0.3285   31.330   0.4508   30.650   0.4780 0.6817000 0.6570000 
1 1 1   -7    9   25 o   5.0610   1.1380   4.1090   1.5830   6.0130   1.6350 -1.904000 2.276000 
1 1 1   -7    9   26 o   18.340   0.4165   18.010   0.5670   18.670   0.6104 -0.6534000 0.8331000 
1 1 1   -7    9   27 o   16.810   0.4443   16.830   0.6001   16.780   0.6554 0.4744000E-01 0.8886000 
1 1 1   -7    9   28 o   8.8980   0.8524   8.5110   1.1990   9.2860   1.2120 -0.7745000 1.705000 
1 1 1   -7    9   29 o   11.070   0.7130   9.9300   1.0340   12.200   0.9821 -2.273000 1.426000 
1 1 1   -7    9   30 o   8.7020   1.1430   7.2220   1.8280   10.180   1.3720 -2.960000 2.286000 
1 1 1   -7    9   31 o   6.9570   1.3190   7.7990   1.6470   6.1160   2.0620 1.683000 2.639000 
1 1 1   -7    9   32 o   3.4170   1.1110   3.2110   1.5020   3.6240   1.6380 -0.4130000 2.223000 
1 1 1   -7    9   33 o   4.9980   1.3340   5.6320   1.9260   4.3640   1.8450 1.268000 2.667000 
1 1 1   -7    9   34 o   8.2920   1.3230   10.720   1.4730   5.8610   2.1990 4.861000 2.646000 
1 1 1   -7    9   35 o   2.9990   1.0470   2.9020   1.4390   3.0970   1.5220 -0.1958000 2.095000 
1 1 1   -7    9   36 o   2.2490   0.8063   2.2920   1.1600   2.2060   1.1200 0.8542000E-01 1.613000 
1 1 1   -7   11    1 o   49.170   0.3834   49.140   0.5414   49.200   0.5431 -0.6048000E-01 0.7669000 
1 1 1   -7   11    2 o   32.170   0.3385   32.040   0.5235   32.300   0.4295 -0.2509000 0.6771000 
1 1 1   -7   11    3 o   49.640   0.3880   49.110   0.5433   50.170   0.5540 -1.060000 0.7760000 
1 1 1   -7   11    4 f   30.500   0.2644   30.390   0.3703   30.600   0.3775 -0.2174000 0.5288000 
1 1 1   -7   11    5 o   17.340   0.3142   17.230   0.4385   17.450   0.4502 -0.2233000 0.6285000 
1 1 1   -7   11    6 o   63.820   0.4180   64.300   0.5949   63.330   0.5875 0.9615000 0.8361000 
1 1 1   -7   11    7 o   25.610   0.3547   25.360   0.5520   25.860   0.4457 -0.5065000 0.7094000 
1 1 1   -7   11    8 o   30.080   0.3171   31.060   0.4465   29.110   0.4503 1.949000 0.6342000 
1 1 1   -7   11    9 o   31.380   0.2812   31.310   0.3959   31.450   0.3996 -0.1434000 0.5625000 
1 1 1   -7   11   10 o   23.300   0.3014   23.130   0.4160   23.470   0.4363 -0.3385000 0.6028000 
1 1 1   -7   11   11 o   82.350   0.5311   82.530   0.7518   82.160   0.7503 0.3742000 1.062000 
1 1 1   -7   11   12 o   23.070   0.3308   22.940   0.4628   23.200   0.4729 -0.2622000 0.6616000 
1 1 1   -7   11   13 o   90.350   0.5814   89.990   0.8185   90.700   0.8259 -0.7122000 1.163000 
1 1 1   -7   11   14 o   79.510   0.6000   78.950   0.8425   80.080   0.8546 -1.136000 1.200000 
1 1 1   -7   11   15 o   20.230   0.5914   19.600   0.9319   20.870   0.7282 -1.271000 1.183000 
1 1 1   -7   11   16 o   84.780   0.6367   85.020   0.9006   84.550   0.9001 0.4650000 1.273000 
1 1 1   -7   11   17 f   54.680   0.4497   54.530   0.6274   54.830   0.6444 -0.2968000 0.8994000 
1 1 1   -7   11   18 o   12.230   0.6836   11.290   1.0240   13.180   0.9059 -1.888000 1.367000 
1 1 1   -7   11   19 o   12.550   0.6459   12.440   0.8997   12.660   0.9269 -0.2217000 1.292000 
1 1 1   -7   11   20 o   15.150   0.6469   16.210   0.7924   14.080   1.0230 2.131000 1.294000 
1 1 1   -7   11   21 o   26.470   0.4076   26.210   0.5433   26.720   0.6076 -0.5101000 0.8151000 
1 1 1   -7   11   22 o   6.5770   1.1130   8.7840   1.3450   4.3700   1.7740 4.414000 2.227000 
1 1 1   -7   11   23 o   33.060   0.3282   33.110   0.4535   33.010   0.4745 0.9983000E-01 0.6563000 
1 1 1   -7   11   24 o   6.0790   1.0930   5.4080   1.5720   6.7500   1.5190 -1.343000 2.186000 
1 1 1   -7   11   25 o   14.120   0.5150   13.350   0.7293   14.890   0.7273 -1.543000 1.030000 
1 1 1   -7   11   26 o   20.940   0.3858   20.130   0.5444   21.760   0.5468 -1.626000 0.7716000 
1 1 1   -7   11   27 o   13.450   0.5594   14.050   0.7296   12.840   0.8483 1.212000 1.119000 
1 1 1   -7   11   28 o   19.160   0.4326   18.930   0.5841   19.390   0.6383 -0.4557000 0.8652000 
1 1 1   -7   11   29 o   4.0090   1.2120   4.7080   1.8610   3.3110   1.5540 1.397000 2.424000 
1 1 1   -7   11   30 o   11.780   0.7881   11.760   1.0110   11.800   1.2100 -0.3868000E-01 1.576000 
1 1 1   -7   11   31 o   7.7200   1.2330   9.2640   1.3750   6.1760   2.0460 3.088000 2.466000 
1 1 1   -7   11   32 o   4.3920   1.2490   3.5070   1.5850   5.2770   1.9300 -1.770000 2.497000 
1 1 1   -7   11   33 o   4.0490   1.2270   3.4360   1.5890   4.6620   1.8710 -1.226000 2.455000 
1 1 1   -7   11   34 o   3.0250   1.0510   3.3080   1.5860   2.7410   1.3800 0.5672000 2.102000 
1 1 1   -7   11   35 o   4.8270   1.3890   4.1270   1.8340   5.5280   2.0880 -1.401000 2.779000 
1 1 1   -7   11   36 o   2.4420   0.8723   2.5850   1.2840   2.2980   1.1810 0.2866000 1.745000 
1 1 1   -7   13    1 o   39.740   0.2963   39.840   0.4202   39.640   0.4179 0.2015000 0.5926000 
1 1 1   -7   13    2 o   38.680   0.2932   38.650   0.4149   38.710   0.4143 -0.6431000E-01 0.5863000 
1 1 1   -7   13    3 o   85.160   0.5453   84.980   0.7695   85.330   0.7728 -0.3513000 1.091000 
1 1 1   -7   13    4 o   24.500   0.3407   25.490   0.4807   23.500   0.4828 1.988000 0.6813000 
1 1 1   -7   13    5 o  108.000   0.6862  107.600   0.9671  108.300   0.9737 -0.7128000 1.372000 
1 1 1   -7   13    6 o   46.450   0.3587   47.730   0.5456   45.170   0.4657 2.559000 0.7174000 
1 1 1   -7   13    7 o   26.800   0.3233   27.120   0.4157   26.480   0.4952 0.6391000 0.6466000 
1 1 1   -7   13    8 o   45.190   0.3889   45.080   0.5502   45.290   0.5500 -0.2096000 0.7779000 
1 1 1   -7   13    9 o   17.120   0.4086   18.010   0.5459   16.230   0.6083 1.779000 0.8173000 
1 1 1   -7   13   10 o   54.740   0.3819   54.720   0.5394   54.770   0.5408 -0.5084000E-01 0.7638000 
1 1 1   -7   13   11 o   47.270   0.3525   47.340   0.4958   47.200   0.5012 0.1389000 0.7050000 
1 1 1   -7   13   12 o   41.260   0.3964   41.580   0.5574   40.940   0.5638 0.6381000 0.7928000 
1 1 1   -7   13   13 o   29.060   0.4209   28.720   0.5977   29.400   0.5929 -0.6824000 0.8419000 
1 1 1   -7   13   14 f   26.340   0.4385   27.370   0.6670   25.310   0.5694 2.061000 0.8770000 
1 1 1   -7   13   15 o   78.340   0.5955   78.650   0.8417   78.020   0.8427 0.6318000 1.191000 
1 1 1   -7   13   16 f   19.870   0.4724   20.350   0.6321   19.390   0.7021 0.9594000 0.9447000 
1 1 1   -7   13   17 o   38.740   0.3513   38.030   0.4894   39.460   0.5040 -1.427000 0.7025000 
1 1 1   -7   13   18 o   33.670   0.3474   33.360   0.4819   33.980   0.5004 -0.6201000 0.6947000 
1 1 1   -7   13   19 o   26.080   0.4242   26.100   0.5593   26.050   0.6378 0.5150000E-01 0.8483000 
1 1 1   -7   13   20 o   6.2810   1.0430   8.5170   1.2270   4.0460   1.6880 4.471000 2.087000 
1 1 1   -7   13   21 o   12.650   0.6968   11.830   0.9884   13.460   0.9823 -1.636000 1.394000 
1 1 1   -7   13   22 f   16.670   0.4610   17.140   0.6122   16.200   0.6893 0.9325000 0.9219000 
1 1 1   -7   13   23 o   20.440   0.3983   20.260   0.5461   20.630   0.5801 -0.3684000 0.7967000 
1 1 1   -7   13   24 o   22.140   0.3793   21.470   0.5198   22.810   0.5525 -1.334000 0.7585000 
1 1 1   -7   13   25 o   19.500   0.4062   19.220   0.5436   19.790   0.6036 -0.5680000 0.8123000 
1 1 1   -7   13   26 o   14.930   0.5207   14.780   0.7075   15.090   0.7642 -0.3026000 1.041000 
1 1 1   -7   13   27 o   4.7770   1.2340   4.5120   1.6870   5.0420   1.8010 -0.5300000 2.468000 
1 1 1   -7   13   28 o   7.7070   1.2300   9.3950   1.4710   6.0190   1.9720 3.377000 2.460000 
1 1 1   -7   13   29 o   4.8010   1.2360   3.8140   1.6270   5.7880   1.8620 -1.974000 2.472000 
1 1 1   -7   13   30 f   4.4860   1.3010   4.6170   1.8190   4.3550   1.8610 0.2619000 2.602000 
1 1 1   -7   13   31 o   7.6680   1.2100   6.5020   1.8160   8.8350   1.5990 -2.333000 2.420000 
1 1 1   -7   13   32 o   5.9000   1.3840   5.6190   1.9150   6.1810   1.9970 -0.5619000 2.767000 
1 1 1   -7   13   33 o   3.8630   1.2440   3.0940   1.4970   4.6310   1.9880 -1.537000 2.489000 
1 1 1   -7   13   34 o   6.9390   1.4210   5.9600   2.0580   7.9170   1.9600 -1.957000 2.842000 
1 1 1   -7   13   35 o   2.4320   0.8612   2.5080   1.2500   2.3560   1.1850 0.1520000 1.722000 
1 1 1   -7   15    1 o   71.270   0.4660   71.180   0.6580   71.370   0.6601 -0.1932000 0.9321000 
1 1 1   -7   15    2 o   65.190   0.4316   65.080   0.6091   65.300   0.6117 -0.2258000 0.8633000 
1 1 1   -7   15    3 o   46.740   0.3395   46.660   0.4789   46.830   0.4814 -0.1719000 0.6790000 
1 1 1   -7   15    4 o   90.650   0.6289   90.230   0.8184   91.070   0.9552 -0.8450000 1.258000 
1 1 1   -7   15    5 o   20.990   0.3648   20.070   0.5154   21.900   0.5164 -1.832000 0.7296000 
1 1 1   -7   15    6 o   33.520   0.3148   34.080   0.4368   32.970   0.4534 1.114000 0.6296000 
1 1 1   -7   15    7 o   53.480   0.3769   53.960   0.5311   52.990   0.5348 0.9710000 0.7537000 
1 1 1   -7   15    8 o   65.480   0.5096   66.110   0.7216   64.850   0.7197 1.260000 1.019000 
1 1 1   -7   15    9 o   16.110   0.6160   16.250   0.8563   15.980   0.8858 0.2617000 1.232000 
1 1 1   -7   15   10 o   5.7790   1.3840   6.8430   1.9900   4.7140   1.9250 2.129000 2.768000 
1 1 1   -7   15   11 o   36.810   0.4578   37.410   0.6885   36.220   0.6035 1.184000 0.9156000 
1 1 1   -7   15   12 o   12.290   0.7701   11.810   1.0740   12.780   1.1040 -0.9733000 1.540000 
1 1 1   -7   15   13 o   50.390   0.4333   50.790   0.6092   49.990   0.6163 0.8029000 0.8666000 
1 1 1   -7   15   14 f   30.320   0.3852   30.680   0.5471   29.960   0.5425 0.7271000 0.7705000 
1 1 1   -7   15   15 o   20.500   0.4580   20.510   0.6225   20.480   0.6719 0.3001000E-01 0.9159000 
1 1 1   -7   15   16 o   19.610   0.4602   19.460   0.6357   19.760   0.6656 -0.2980000 0.9204000 
1 1 1   -7   15   17 o   11.050   0.8788   10.950   1.1130   11.160   1.3600 -0.2083000 1.758000 
1 1 1   -7   15   18 o   22.520   0.4731   22.850   0.5985   22.180   0.7328 0.6693000 0.9461000 
1 1 1   -7   15   19 o   30.930   0.4005   31.130   0.5555   30.730   0.5772 0.3987000 0.8011000 
1 1 1   -7   15   20 o   20.570   0.4596   20.430   0.6327   20.710   0.6668 -0.2742000 0.9192000 
1 1 1   -7   15   21 o   8.3270   0.9575   9.4050   1.0630   7.2490   1.5930 2.156000 1.915000 
1 1 1   -7   15   22 o   12.120   0.6251   12.220   0.8326   12.020   0.9327 0.2027000 1.250000 
1 1 1   -7   15   23 o   8.2930   0.9241   7.4520   1.3760   9.1340   1.2340 -1.682000 1.848000 
1 1 1   -7   15   24 o   32.050   0.3636   32.380   0.5380   31.730   0.4893 0.6487000 0.7272000 
1 1 1   -7   15   25 f   15.480   0.5021   15.240   0.6876   15.720   0.7318 -0.4787000 1.004000 
1 1 1   -7   15   26 o   5.1230   1.2500   5.1090   1.7250   5.1370   1.8080 -0.2806000E-01 2.499000 
1 1 1   -7   15   27 o   8.1890   1.2530   6.6610   1.9500   9.7170   1.5740 -3.056000 2.506000 
1 1 1   -7   15   28 o   5.4600   1.2110   6.8170   1.6690   4.1030   1.7560 2.714000 2.422000 
1 1 1   -7   15   29 o   3.8960   1.2270   4.1330   1.7740   3.6600   1.6960 0.4729000 2.454000 
1 1 1   -7   15   30 o   6.8700   1.3220   6.5840   1.8180   7.1550   1.9190 -0.5709000 2.643000 
1 1 1   -7   15   31 o   7.4420   1.2280   9.4270   1.4170   5.4560   2.0060 3.971000 2.456000 
1 1 1   -7   15   32 f   3.6110   1.1990   3.6000   1.6670   3.6210   1.7230 -0.2055000E-01 2.398000 
1 1 1   -7   15   33 o   3.3450   1.1310   3.5140   1.6500   3.1760   1.5470 0.3384000 2.262000 
1 1 1   -7   15   34 o   2.9470   1.0090   2.8360   1.3830   3.0570   1.4690 -0.2211000 2.018000 
1 1 1   -7   17    1 o   53.450   0.4386   53.340   0.6195   53.560   0.6210 -0.2177000 0.8772000 
1 1 1   -7   17    2 o   32.730   0.3826   32.460   0.5410   33.000   0.5413 -0.5347000 0.7653000 
1 1 1   -7   17    3 o   38.100   0.3833   37.950   0.5423   38.240   0.5417 -0.2959000 0.7665000 
1 1 1   -7   17    4 o   91.170   0.7636   90.520   0.9560   91.830   1.1910 -1.313000 1.527000 
1 1 1   -7   17    5 o   23.660   0.5441   22.940   0.6585   24.390   0.8662 -1.452000 1.088000 
1 1 1   -7   17    6 o   48.630   0.4320   49.030   0.6046   48.230   0.6172 0.7976000 0.8640000 
1 1 1   -7   17    7 o   30.470   0.3939   30.310   0.5016   30.630   0.6075 -0.3179000 0.7878000 
1 1 1   -7   17    8 o   35.940   0.3536   35.820   0.4879   36.060   0.5120 -0.2429000 0.7072000 
1 1 1   -7   17    9 o   20.790   0.5111   21.060   0.6948   20.520   0.7496 0.5409000 1.022000 
1 1 1   -7   17   10 o   26.180   0.4466   26.590   0.6132   25.780   0.6494 0.8033000 0.8932000 
1 1 1   -7   17   11 o   39.480   0.4077   38.830   0.5613   40.130   0.5914 -1.300000 0.8154000 
1 1 1   -7   17   12 o   11.000   0.8311   11.090   1.1230   10.900   1.2260 0.1885000 1.662000 
1 1 1   -7   17   13 o   9.5350   0.9708   10.500   1.1550   8.5690   1.5610 1.932000 1.942000 
1 1 1   -7   17   14 o   13.790   0.7838   14.660   0.9251   12.930   1.2660 1.731000 1.568000 
1 1 1   -7   17   15 o   27.060   0.4427   26.460   0.5947   27.650   0.6561 -1.184000 0.8855000 
1 1 1   -7   17   16 o   15.930   0.5293   16.470   0.7036   15.400   0.7910 1.077000 1.059000 
1 1 1   -7   17   17 o   41.530   0.3533   40.660   0.4880   42.390   0.5109 -1.732000 0.7065000 
1 1 1   -7   17   18 o   23.930   0.4457   23.520   0.6338   24.330   0.6268 -0.8074000 0.8914000 
1 1 1   -7   17   19 o   21.710   0.3993   21.290   0.5492   22.130   0.5798 -0.8379000 0.7986000 
1 1 1   -7   17   20 o   12.120   0.6309   12.120   0.8608   12.110   0.9226 0.1223000E-01 1.262000 
1 1 1   -7   17   21 o   12.650   0.6103   12.720   0.8168   12.580   0.9071 0.1439000 1.221000 
1 1 1   -7   17   22 o   21.690   0.4022   22.170   0.5392   21.210   0.5968 0.9595000 0.8043000 
1 1 1   -7   17   23 o   14.320   0.5645   14.010   0.7762   14.620   0.8198 -0.6174000 1.129000 
1 1 1   -7   17   24 o   18.840   0.4609   19.110   0.6124   18.570   0.6890 0.5477000 0.9218000 
1 1 1   -7   17   25 o   15.300   0.6798   15.090   0.9650   15.520   0.9577 -0.4379000 1.360000 
1 1 1   -7   17   26 o   18.280   0.6060   17.740   0.8738   18.820   0.8399 -1.088000 1.212000 
1 1 1   -7   17   27 o   12.370   0.7966   13.290   0.9023   11.450   1.3130 1.839000 1.593000 
1 1 1   -7   17   28 o   8.0380   1.2460   9.7440   1.3930   6.3330   2.0670 3.411000 2.493000 
1 1 1   -7   17   29 o   10.800   0.9144   10.780   1.2000   10.830   1.3800 -0.4211000E-01 1.829000 
1 1 1   -7   17   30 o   4.3920   1.3510   4.5610   1.9070   4.2220   1.9150 0.3391000 2.703000 
1 1 1   -7   17   31 o   4.2570   1.3140   4.6020   1.9060   3.9120   1.8110 0.6899000 2.629000 
1 1 1   -7   17   32 o   2.8740   1.0030   2.9130   1.4280   2.8340   1.4090 0.7889000E-01 2.006000 
1 1 1   -7   17   33 o   2.7690   0.9608   2.6110   1.2950   2.9270   1.4200 -0.3158000 1.922000 
1 1 1   -7   19    1 o   54.290   0.4551   54.510   0.6472   54.070   0.6399 0.4447000 0.9101000 
1 1 1   -7   19    2 o   29.920   0.4233   30.130   0.6029   29.710   0.5945 0.4200000 0.8467000 
1 1 1   -7   19    3 o   59.790   0.4838   60.280   0.6901   59.310   0.6783 0.9722000 0.9677000 
1 1 1   -7   19    4 f   39.080   0.4091   38.990   0.5815   39.170   0.5755 -0.1845000 0.8182000 
1 1 1   -7   19    5 o   20.520   0.5545   20.370   0.7699   20.670   0.7982 -0.2936000 1.109000 
1 1 1   -7   19    6 o   46.270   0.4278   45.940   0.5975   46.590   0.6125 -0.6464000 0.8557000 
1 1 1   -7   19    7 o   43.440   0.3666   43.080   0.5065   43.800   0.5302 -0.7118000 0.7332000 
1 1 1   -7   19    8 o   55.210   0.4024   55.120   0.5604   55.300   0.5777 -0.1774000 0.8049000 
1 1 1   -7   19    9 o   24.010   0.4140   24.120   0.5529   23.890   0.6164 0.2270000 0.8280000 
1 1 1   -7   19   10 o   20.520   0.4647   20.430   0.6200   20.620   0.6924 -0.1895000 0.9294000 
1 1 1   -7   19   11 o   6.8030   1.3920   6.5340   1.8540   7.0730   2.0770 -0.5393000 2.784000 
1 1 1   -7   19   12 o   27.560   0.4433   27.870   0.5868   27.250   0.6646 0.6186000 0.8866000 
1 1 1   -7   19   13 o   23.130   0.4899   22.650   0.6619   23.610   0.7224 -0.9651000 0.9798000 
1 1 1   -7   19   14 o   33.320   0.3544   33.140   0.4884   33.490   0.5138 -0.3472000 0.7089000 
1 1 1   -7   19   15 o   26.070   0.4290   26.130   0.5949   26.010   0.6181 0.1198000 0.8579000 
1 1 1   -7   19   16 o   4.2330   1.2420   4.4900   1.7680   3.9750   1.7440 0.5155000 2.483000 
1 1 1   -7   19   17 o   3.9250   1.1460   3.1390   1.4360   4.7100   1.7870 -1.571000 2.293000 
1 1 1   -7   19   18 o   4.2060   1.1890   3.7120   1.5840   4.6990   1.7750 -0.9868000 2.379000 
1 1 1   -7   19   19 o   28.300   0.3616   28.840   0.4975   27.770   0.5250 1.069000 0.7233000 
1 1 1   -7   19   20 o   7.9450   1.0270   8.1840   1.3500   7.7050   1.5490 0.4795000 2.055000 
1 1 1   -7   19   21 o   18.170   0.4623   18.370   0.6302   17.980   0.6764 0.3825000 0.9245000 
1 1 1   -7   19   22 o   5.3680   1.1890   6.6230   1.6380   4.1130   1.7220 2.510000 2.377000 
1 1 1   -7   19   23 o   3.6930   1.1520   3.5660   1.5800   3.8200   1.6780 -0.2543000 2.304000 
1 1 1   -7   19   24 o   10.340   1.0760   10.360   1.5500   10.330   1.4910 0.3510000E-01 2.151000 
1 1 1   -7   19   25 o   7.6640   1.1690   8.6360   1.3850   6.6910   1.8830 1.945000 2.338000 
1 1 1   -7   19   26 o   10.440   0.9725  10.0000   1.2820   10.880   1.4630 -0.8744000 1.945000 
1 1 1   -7   19   27 o   11.180   0.9436   10.720   1.2990   11.640   1.3690 -0.9159000 1.887000 
1 1 1   -7   19   28 o   8.7980   1.1640   8.4830   1.6640   9.1130   1.6300 -0.6295000 2.329000 
1 1 1   -7   19   29 o   5.2800   1.3060   3.1400   1.5210   7.4190   2.1230 -4.279000 2.611000 
1 1 1   -7   19   30 o   5.3070   1.3980   4.3890   1.9610   6.2250   1.9920 -1.836000 2.795000 
1 1 1   -7   19   31 o   3.0830   1.0730   2.9240   1.4580   3.2420   1.5760 -0.3184000 2.147000 
1 1 1   -7   19   32 o   2.0130   0.7403   2.0180   1.0480   2.0080   1.0460 0.9943000E-02 1.481000 
1 1 1   -7   21    1 o   12.990   0.6676   12.830   0.9396   13.160   0.9487 -0.3316000 1.335000 
1 1 1   -7   21    2 o   48.570   0.3711   48.160   0.5195   48.980   0.5302 -0.8153000 0.7423000 
1 1 1   -7   21    3 o   25.950   0.3830   25.790   0.5373   26.110   0.5461 -0.3192000 0.7661000 
1 1 1   -7   21    4 o   40.240   0.3516   39.820   0.4915   40.650   0.5029 -0.8312000 0.7032000 
1 1 1   -7   21    5 o   6.7680   1.3740   5.3620   1.9130   8.1730   1.9740 -2.811000 2.749000 
1 1 1   -7   21    6 o   18.200   0.6012   19.340   0.7215   17.060   0.9619 2.286000 1.202000 
1 1 1   -7   21    7 o   23.130   0.4855   22.780   0.6385   23.470   0.7314 -0.6867000 0.9709000 
1 1 1   -7   21    8 o   20.100   0.5242   20.120   0.6766   20.080   0.8008 0.4407000E-01 1.048000 
1 1 1   -7   21    9 o   6.7450   1.2350   6.0930   1.7590   7.3960   1.7340 -1.303000 2.470000 
1 1 1   -7   21   10 f   15.590   0.5416   15.400   0.7256   15.780   0.8043 -0.3758000 1.083000 
1 1 1   -7   21   11 o   4.2400   1.1870   3.3910   1.5170   5.0880   1.8260 -1.697000 2.374000 
1 1 1   -7   21   12 o   24.670   0.4321   24.880   0.5928   24.450   0.6289 0.4363000 0.8643000 
1 1 1   -7   21   13 o   22.980   0.4459   22.890   0.6065   23.080   0.6539 -0.1896000 0.8919000 
1 1 1   -7   21   14 f   16.210   0.5242   16.400   0.7048   16.020   0.7760 0.3791000 1.048000 
1 1 1   -7   21   15 o   10.200   0.8010   9.8530   1.1210   10.560   1.1450 -0.7029000 1.602000 
1 1 1   -7   21   16 o   27.890   0.3627   27.540   0.5048   28.230   0.5211 -0.6918000 0.7255000 
1 1 1   -7   21   17 o   7.7070   1.0620   6.3850   1.6260   9.0290   1.3670 -2.644000 2.124000 
1 1 1   -7   21   18 o   26.600   0.3748   26.790   0.5133   26.400   0.5462 0.3964000 0.7495000 
1 1 1   -7   21   19 o   17.610   0.4879   16.680   0.6933   18.540   0.6866 -1.858000 0.9757000 
1 1 1   -7   21   20 o   12.520   0.6878   12.900   0.9063   12.130   1.0350 0.7673000 1.376000 
1 1 1   -7   21   21 o   8.3440   1.0730   7.9110   1.5280   8.7780   1.5060 -0.8673000 2.146000 
1 1 1   -7   21   22 o   3.9670   1.2600   3.6730   1.7120   4.2600   1.8510 -0.5870000 2.521000 
1 1 1   -7   21   23 o   5.5690   1.2370   4.0200   1.7080   7.1180   1.7890 -3.098000 2.473000 
1 1 1   -7   21   24 o   4.5650   1.3150   4.6910   1.8390   4.4390   1.8790 0.2527000 2.630000 
1 1 1   -7   21   25 o   6.4960   1.4800   5.8040   2.1390   7.1890   2.0460 -1.386000 2.960000 
1 1 1   -7   21   26 o   14.650   0.8332   12.900   1.4200   16.410   0.8721 -3.513000 1.666000 
1 1 1   -7   21   27 o   5.3020   1.5660   5.5460   2.3700   5.0570   2.0460 0.4893000 3.131000 
1 1 1   -7   21   28 o   3.1240   1.0880   2.8220   1.4340   3.4260   1.6350 -0.6038000 2.175000 
1 1 1   -7   21   29 o   7.6360   1.2860   7.6430   1.7690   7.6290   1.8660 0.1444000E-01 2.571000 
1 1 1   -7   21   30 o   2.8220   0.9886   3.1080   1.5060   2.5370   1.2810 0.5716000 1.977000 
1 1 1   -7   23    1 f   18.590   0.4450   18.760   0.6143   18.410   0.6440 0.3523000 0.8900000 
1 1 1   -7   23    2 o   28.910   0.3481   29.010   0.4872   28.810   0.4974 0.1951000 0.6963000 
1 1 1   -7   23    3 o   16.170   0.5004   15.910   0.7064   16.430   0.7091 -0.5268000 1.001000 
1 1 1   -7   23    4 o   16.130   0.5144   15.700   0.7331   16.550   0.7217 -0.8434000 1.029000 
1 1 1   -7   23    5 o   7.7460   1.2180   7.3470   1.7210   8.1440   1.7240 -0.7977000 2.436000 
1 1 1   -7   23    6 o   29.130   0.4047   28.820   0.5574   29.440   0.5868 -0.6264000 0.8093000 
1 1 1   -7   23    7 o   15.950   0.5997   16.400   0.7867   15.500   0.9055 0.8968000 1.199000 
1 1 1   -7   23    8 o   12.040   0.7893   13.530   0.9048   10.540   1.2930 2.988000 1.579000 
1 1 1   -7   23    9 o   3.6700   1.1540   3.5360   1.5860   3.8030   1.6770 -0.2670000 2.308000 
1 1 1   -7   23   10 o   5.3290   1.2410   4.9750   1.6870   5.6830   1.8210 -0.7073000 2.482000 
1 1 1   -7   23   11 o   18.950   0.4382   18.510   0.5976   19.380   0.6410 -0.8665000 0.8763000 
1 1 1   -7   23   12 o   9.5990   0.8290   9.6920   1.0850   9.5060   1.2530 0.1857000 1.658000 
1 1 1   -7   23   13 o   4.3760   1.2080   4.6150   1.7000   4.1370   1.7180 0.4778000 2.417000 
1 1 1   -7   23   14 o   14.420   0.5705   13.750   0.7794   15.080   0.8334 -1.328000 1.141000 
1 1 1   -7   23   15 o   6.2720   1.2820   6.4160   1.7920   6.1290   1.8330 0.2868000 2.564000 
1 1 1   -7   23   16 o   13.270   0.6495   12.190   0.9411   14.350   0.8954 -2.164000 1.299000 
1 1 1   -7   23   17 o   9.6820   0.9036   9.9910   1.1640   9.3740   1.3820 0.6175000 1.807000 
1 1 1   -7   23   18 o   6.5150   1.2060   4.8380   1.8020   8.1920   1.6030 -3.354000 2.412000 
1 1 1   -7   23   19 o   9.0260   1.6950   8.6840   2.8820   9.3680   1.7850 -0.6838000 3.390000 
1 1 1   -7   23   20 o   7.7370   1.5300   5.6960   2.5470   9.7780   1.6970 -4.082000 3.061000 
1 1 1   -7   23   21 o   4.0350   1.2450   3.8290   1.7610   4.2400   1.7590 -0.4105000 2.489000 
1 1 1   -7   23   22 o   9.6510   1.2290   8.7560   1.9570   10.550   1.4870 -1.789000 2.458000 
1 1 1   -7   23   23 o   5.9790   1.5340   6.4320   2.2290   5.5270   2.1070 0.9053000 3.067000 
1 1 1   -7   23   24 o   3.8000   1.2000   3.1120   1.4950   4.4870   1.8780 -1.374000 2.400000 
1 1 1   -7   23   25 o   6.6370   1.4980   7.1850   2.0430   6.0900   2.1910 1.095000 2.996000 
1 1 1   -7   23   26 o   3.5410   1.1810   3.4920   1.6450   3.5910   1.6960 -0.9916000E-01 2.363000 
1 1 1   -7   23   27 o   3.6980   1.1790   3.6670   1.6480   3.7290   1.6860 -0.6235000E-01 2.358000 
1 1 1   -7   23   28 f   2.9230   1.0180   3.2810   1.5750   2.5650   1.2900 0.7164000 2.036000 
1 1 1   -7   25    1 o   23.860   0.3739   23.960   0.5235   23.760   0.5339 0.2008000 0.7477000 
1 1 1   -7   25    2 o   15.830   0.5028   15.430   0.7214   16.240   0.7007 -0.8102000 1.006000 
1 1 1   -7   25    3 o   14.650   0.5409   14.350   0.7713   14.960   0.7585 -0.6094000 1.082000 
1 1 1   -7   25    4 o   4.7970   1.1480   6.0840   1.6880   3.5100   1.5550 2.574000 2.295000 
1 1 1   -7   25    5 f   5.4090   1.0960   3.2140   1.4750   7.6040   1.6200 -4.390000 2.191000 
1 1 1   -7   25    6 o   21.910   0.4134   22.220   0.5475   21.600   0.6196 0.6213000 0.8268000 
1 1 1   -7   25    7 o   12.130   0.6743   11.910   0.9148   12.340   0.9908 -0.4331000 1.349000 
1 1 1   -7   25    8 o   4.1710   1.1920   3.6170   1.5680   4.7250   1.7940 -1.109000 2.383000 
1 1 1   -7   25    9 o   5.5080   1.2110   6.3300   1.6210   4.6860   1.7990 1.644000 2.422000 
1 1 1   -7   25   10 o   7.9300   1.0420   8.3060   1.2840   7.5530   1.6410 0.7521000 2.083000 
1 1 1   -7   25   11 o   18.420   0.4690   18.540   0.6152   18.290   0.7081 0.2491000 0.9380000 
1 1 1   -7   25   12 o   14.740   0.5767   14.960   0.7463   14.510   0.8794 0.4494000 1.153000 
1 1 1   -7   25   13 o   15.740   0.6486   15.940   0.9918   15.550   0.8361 0.3873000 1.297000 
1 1 1   -7   25   14 o   5.6940   1.3540   4.9480   1.9790   6.4390   1.8480 -1.490000 2.707000 
1 1 1   -7   25   15 f   10.850   0.9499   11.370   1.4260   10.330   1.2550 1.037000 1.900000 
1 1 1   -7   25   16 o   6.8570   1.5860   5.5500   2.4490   8.1630   2.0170 -2.613000 3.173000 
1 1 1   -7   25   17 o   12.010   1.5540   9.5220   2.8910   14.490   1.1420 -4.969000 3.109000 
1 1 1   -7   25   18 o   4.2460   1.2830   3.7880   1.7620   4.7040   1.8660 -0.9155000 2.566000 
1 1 1   -7   25   19 o   3.7890   1.1860   4.2720   1.7890   3.3060   1.5570 0.9669000 2.372000 
1 1 1   -7   25   20 o   4.5930   1.3420   3.8960   1.7450   5.2890   2.0400 -1.393000 2.685000 
1 1 1   -7   25   21 o   12.710   0.8814   13.140   1.1640   12.290   1.3240 0.8506000 1.763000 
1 1 1   -7   25   22 f   2.9050   1.0060   2.6320   1.3070   3.1780   1.5300 -0.5463000 2.013000 
1 1 1   -7   25   23 o   5.9380   1.4710   5.1960   2.0150   6.6800   2.1450 -1.485000 2.943000 
1 1 1   -7   25   24 o   4.6630   1.3820   4.8210   1.9530   4.5050   1.9560 0.3161000 2.764000 
1 1 1   -7   25   25 o   4.9540   1.2230   6.4990   1.8540   3.4100   1.5950 3.089000 2.446000 
1 1 1   -7   25   26 o   2.2940   0.8275   2.1610   1.1070   2.4270   1.2310 -0.2660000 1.655000 
1 1 1   -7   27    1 f   12.200   0.6673   11.880   0.9647   12.530   0.9224 -0.6477000 1.335000 
1 1 1   -7   27    2 o   7.2000   1.0870   9.0900   1.2430   5.3090   1.7840 3.781000 2.174000 
1 1 1   -7   27    3 o   6.5930   1.1900   6.7980   1.6410   6.3880   1.7250 0.4096000 2.381000 
1 1 1   -7   27    4 o   8.0890   1.1000   7.4980   1.5140   8.6800   1.5980 -1.182000 2.201000 
1 1 1   -7   27    5 o   9.0830   0.9861   10.280   1.1110   7.8850   1.6290 2.396000 1.972000 
1 1 1   -7   27    6 o   10.350   1.0180   10.430   1.5960   10.270   1.2640 0.1629000 2.036000 
1 1 1   -7   27    7 o   13.750   0.7792   12.870   1.2890   14.630   0.8761 -1.764000 1.558000 
1 1 1   -7   27    8 o   3.2810   1.1040   3.4220   1.6330   3.1410   1.4850 0.2812000 2.208000 
1 1 1   -7   27    9 o   7.8350   1.3340   7.8830   2.0920   7.7870   1.6550 0.9503000E-01 2.667000 
1 1 1   -7   27   10 o   14.650   0.7419   14.270   1.1930   15.020   0.8824 -0.7527000 1.484000 
1 1 1   -7   27   11 o   18.020   0.6267   17.230   1.0070   18.800   0.7464 -1.567000 1.253000 
1 1 1   -7   27   12 o   4.7330   1.3930   4.8470   1.9780   4.6180   1.9630 0.2292000 2.787000 
1 1 1   -7   27   13 o   7.3680   1.4080   8.3550   1.8350   6.3810   2.1370 1.974000 2.816000 
1 1 1   -7   27   14 o   5.6990   1.3300   5.3400   1.8730   6.0580   1.8910 -0.7182000 2.661000 
1 1 1   -7   27   15 o   11.260   0.8251   11.460   1.1160   11.050   1.2150 0.4085000 1.650000 
1 1 1   -7   27   16 o   4.4680   1.2780   4.9330   1.8530   4.0030   1.7600 0.9304000 2.555000 
1 1 1   -7   27   17 o   7.7750   1.2650   10.210   1.4440   5.3420   2.0770 4.865000 2.529000 
1 1 1   -7   27   18 o   7.7900   1.3530   8.7340   1.7020   6.8460   2.1050 1.889000 2.707000 
1 1 1   -7   27   19 o   6.3850   1.3490   7.0200   1.7860   5.7490   2.0220 1.271000 2.697000 
1 1 1   -7   27   20 o   7.3110   1.4380   8.1120   1.8930   6.5090   2.1640 1.603000 2.875000 
1 1 1   -7   27   21 o   2.9610   1.0310   2.9210   1.4370   3.0010   1.4790 -0.8067000E-01 2.062000 
1 1 1   -7   27   22 o   3.5790   1.1620   3.5120   1.6150   3.6460   1.6720 -0.1345000 2.325000 
1 1 1   -7   27   23 o   3.0330   1.0290   3.3060   1.5440   2.7600   1.3590 0.5463000 2.057000 
1 1 1   -7   27   24 f   3.1320   1.0750   2.8630   1.4100   3.4000   1.6220 -0.5367000 2.149000 
1 1 1   -7   29    1 o   19.200   0.8752   17.680   1.5900   20.730   0.7315 -3.048000 1.750000 
1 1 1   -7   29    2 o   19.600   0.8449   19.010   1.5200   20.190   0.7384 -1.177000 1.690000 
1 1 1   -7   29    3 o   8.7860   1.4200   6.2020   2.5610   11.370   1.2300 -5.168000 2.841000 
1 1 1   -7   29    4 o   11.080   1.1790   10.110   1.8260   12.050   1.4900 -1.947000 2.357000 
1 1 1   -7   29    5 o   4.0440   1.2580   4.5380   1.8900   3.5490   1.6600 0.9887000 2.515000 
1 1 1   -7   29    6 o   8.3760   1.2940   7.6930   1.8950   9.0590   1.7610 -1.366000 2.587000 
1 1 1   -7   29    7 o   19.150   0.5952   18.960   0.8334   19.340   0.8500 -0.3757000 1.190000 
1 1 1   -7   29    8 o   4.2560   1.3080   4.5810   1.9190   3.9310   1.7780 0.6497000 2.616000 
1 1 1   -7   29    9 f   23.250   0.4454   23.130   0.6125   23.380   0.6467 -0.2472000 0.8908000 
1 1 1   -7   29   10 o   5.1970   1.2830   6.2500   1.8550   4.1440   1.7740 2.107000 2.567000 
1 1 1   -7   29   11 o   9.1190   1.0440   9.6100   1.3150   8.6270   1.6210 0.9829000 2.087000 
1 1 1   -7   29   12 o   6.3630   1.3010   4.1730   1.8250   8.5520   1.8560 -4.379000 2.603000 
1 1 1   -7   29   13 o   3.8080   1.2310   3.3540   1.5930   4.2620   1.8770 -0.9079000 2.462000 
1 1 1   -7   29   14 o   3.3650   1.1320   3.5680   1.6610   3.1610   1.5390 0.4067000 2.264000 
1 1 1   -7   29   15 o   3.7360   1.1940   3.5010   1.5960   3.9720   1.7760 -0.4704000 2.388000 
1 1 1   -7   29   16 o   3.5270   1.1480   3.7230   1.6660   3.3310   1.5800 0.3919000 2.296000 
1 1 1   -7   29   17 o   4.4590   1.2940   5.6130   2.0380   3.3060   1.5950 2.308000 2.588000 
1 1 1   -7   29   18 o   4.9770   1.3900   4.0430   1.8010   5.9120   2.1170 -1.869000 2.780000 
1 1 1   -7   29   19 o   3.1740   1.0550   3.7820   1.6760   2.5670   1.2810 1.215000 2.110000 
1 1 1   -7   29   20 o   3.8710   1.2040   3.8300   1.6810   3.9120   1.7230 -0.8236000E-01 2.407000 
1 1 1   -7   29   21 o   2.6210   0.9264   2.7420   1.3560   2.5000   1.2630 0.2420000 1.853000 
1 1 1   -7   31    1 o   15.310   0.7249   14.800   1.0680   15.820   0.9808 -1.019000 1.450000 
1 1 1   -7   31    2 o   8.2250   1.3170   7.8030   1.9360   8.6470   1.7850 -0.8440000 2.633000 
1 1 1   -7   31    3 o   7.1160   1.4120   6.3500   2.0590   7.8820   1.9320 -1.532000 2.823000 
1 1 1   -7   31    4 o   15.110   0.7567   15.080   1.0690   15.130   1.0710 -0.4670000E-01 1.513000 
1 1 1   -7   31    5 o   12.770   0.8895   12.110   1.3100   13.430   1.2030 -1.316000 1.779000 
1 1 1   -7   31    6 o   5.3350   1.4400   4.9160   1.9730   5.7530   2.0980 -0.8377000 2.880000 
1 1 1   -7   31    7 o   10.300   1.1640   11.890   1.3230   8.7050   1.9150 3.189000 2.328000 
1 1 1   -7   31    8 o   6.7450   1.3960   8.2850   1.8590   5.2050   2.0840 3.080000 2.792000 
1 1 1   -7   31    9 o   9.5040   1.0440   9.6790   1.3800   9.3290   1.5670 0.3498000 2.088000 
1 1 1   -7   31   10 o   6.0750   1.2660   4.3010   1.7870   7.8500   1.7950 -3.549000 2.533000 
1 1 1   -7   31   11 o   8.1240   1.1760   9.8740   1.3030   6.3740   1.9590 3.500000 2.353000 
1 1 1   -7   31   12 o   5.1200   1.4010   4.6830   1.8880   5.5580   2.0690 -0.8749000 2.801000 
1 1 1   -7   31   13 o   4.1930   1.2800   4.7560   1.9180   3.6310   1.6960 1.125000 2.561000 
1 1 1   -7   31   14 f   2.9550   1.0250   2.4900   1.2530   3.4190   1.6220 -0.9293000 2.050000 
1 1 1   -7   31   15 f   3.1040   1.0470   2.8950   1.4040   3.3130   1.5530 -0.4175000 2.093000 
1 1 1   -7   31   16 o   3.7750   1.1510   4.6750   1.8250   2.8740   1.4020 1.800000 2.302000 
1 1 1   -7   31   17 o   3.9560   1.2070   3.8360   1.6680   4.0770   1.7450 -0.2415000 2.414000 
1 1 1   -7   31   18 o   2.2570   0.8277   2.2120   1.1470   2.3020   1.1940 -0.8981000E-01 1.655000 
1 1 1   -7   33    1 o   5.7010   1.4100   6.6670   2.0150   4.7350   1.9730 1.932000 2.820000 
1 1 1   -7   33    2 o   4.7690   1.3790   4.1970   1.8290   5.3400   2.0640 -1.143000 2.758000 
1 1 1   -7   33    3 o   3.4560   1.1670   3.5080   1.6360   3.4040   1.6640 0.1044000 2.333000 
1 1 1   -7   33    4 o   5.6380   1.2980   7.5060   1.9220   3.7700   1.7440 3.737000 2.595000 
1 1 1   -7   33    5 o   6.2430   1.3490   7.9010   1.8660   4.5850   1.9490 3.316000 2.699000 
1 1 1   -7   33    6 o   4.6800   1.3510   5.1550   1.9670   4.2060   1.8520 0.9491000 2.702000 
1 1 1   -7   33    7 o   8.5970   1.2700   7.0270   1.9950   10.170   1.5700 -3.140000 2.539000 
1 1 1   -7   33    8 o   3.2570   1.0960   2.6730   1.3290   3.8410   1.7430 -1.168000 2.192000 
1 1 1   -7   33    9 o   2.7560   0.9546   2.7590   1.3490   2.7530   1.3510 0.6701000E-02 1.909000 
1 1 1   -7   33   10 o   4.2400   1.2400   4.7400   1.8300   3.7400   1.6720 0.9998000 2.479000 
1 1 1   -7   33   11 f   3.1550   1.0490   3.3010   1.5230   3.0080   1.4420 0.2929000 2.098000 
1 1 1   -7   33   12 o   2.8010   0.9609   2.3530   1.1790   3.2480   1.5180 -0.8945000 1.922000 
1 1 1   -7   33   13 o   3.3100   1.1390   2.9770   1.4880   3.6420   1.7250 -0.6645000 2.278000 
1 1 1   -7   35    1 o   2.9040   1.0490   2.8420   1.4520   2.9660   1.5140 -0.1234000 2.097000 
1 1 1   -7   35    2 o   1.9550   1.0160   1.9550   1.0160  ?   ?       ?      ? 
1 1 1   -7   35    3 o   2.0070   1.0430   2.0070   1.0430  ?   ?       ?      ? 
1 1 1   -6    0    1 o   13.240   0.1618   13.240   0.1618   13.240   0.1618 -0.000000 0.000000 
1 1 1   -6    0    2 o  110.100   0.9767  110.100   0.9767  110.100   0.9767 -0.000000 0.000000 
1 1 1   -6    0    3 o   6.6950   0.2423   6.6950   0.2423   6.6950   0.2423 -0.000000 0.000000 
1 1 1   -6    0    4 o   57.570   0.5137   57.570   0.5137   57.570   0.5137 0.000000 0.000000 
1 1 1   -6    0    6 o   14.280   0.3243   14.280   0.3243   14.280   0.3243 -0.000000 0.000000 
1 1 1   -6    0    7 o   53.190   0.4802   53.190   0.4802   53.190   0.4802 -0.000000 0.000000 
1 1 1   -6    0    8 o   27.600   0.2847   27.600   0.2847   27.600   0.2847 0.000000 0.000000 
1 1 1   -6    0    9 f   56.030   0.5085   56.030   0.5085   56.030   0.5085 0.000000 0.000000 
1 1 1   -6    0   10 o   55.380   0.7140   55.380   0.7140   55.380   0.7140 -0.000000 0.000000 
1 1 1   -6    0   11 o   4.4060   1.5250   4.4060   1.5250   4.4060   1.5250 -0.000000 0.000000 
1 1 1   -6    0   12 o   26.720   0.3123   26.720   0.3123   26.720   0.3123 0.000000 0.000000 
1 1 1   -6    0   13 f   85.100   0.7647   85.100   0.7647   85.100   0.7647 -0.000000 0.000000 
1 1 1   -6    0   14 o   9.6380   0.5941   9.6380   0.5941   9.6380   0.5941 -0.000000 0.000000 
1 1 1   -6    0   15 o  108.000   0.9668  108.000   0.9668  108.000   0.9668 -0.000000 0.000000 
1 1 1   -6    0   16 o   26.370   0.3839   26.370   0.3839   26.370   0.3839 -0.000000 0.000000 
1 1 1   -6    0   17 o   62.660   0.5855   62.660   0.5855   62.660   0.5855 0.000000 0.000000 
1 1 1   -6    0   18 o   77.000   0.7061   77.000   0.7061   77.000   0.7061 -0.000000 0.000000 
1 1 1   -6    0   19 o   25.330   0.6472   25.330   0.6472   25.330   0.6472 0.000000 0.000000 
1 1 1   -6    0   20 o   14.290   0.8070   14.290   0.8070   14.290   0.8070 -0.000000 0.000000 
1 1 1   -6    0   21 o  102.800   0.9317  102.800   0.9317  102.800   0.9317 -0.000000 0.000000 
1 1 1   -6    0   22 o   80.890   0.7465   80.890   0.7465   80.890   0.7465 0.000000 0.000000 
1 1 1   -6    0   23 o   22.080   0.6499   22.080   0.6499   22.080   0.6499 -0.000000 0.000000 
1 1 1   -6    0   24 o   17.010   0.9454   17.010   0.9454   17.010   0.9454 -0.000000 0.000000 
1 1 1   -6    0   25 o   15.820   0.6683   15.820   0.6683   15.820   0.6683 -0.000000 0.000000 
1 1 1   -6    0   26 o   8.7740   1.1880   8.7740   1.1880   8.7740   1.1880 0.000000 0.000000 
1 1 1   -6    0   27 o   6.4560   1.7180   6.4560   1.7180   6.4560   1.7180 -0.000000 0.000000 
1 1 1   -6    0   28 o   2.7650   1.7240   2.7650   1.7240   2.7650   1.7240 -0.000000 0.000000 
1 1 1   -6    0   29 o   12.560   0.8232   12.560   0.8232   12.560   0.8232 0.000000 0.000000 
1 1 1   -6    0   30 o   1.5790   1.1490   1.5790   1.1490   1.5790   1.1490 0.000000 0.000000 
1 1 1   -6    0   31 o   16.410   0.7097   16.410   0.7097   16.410   0.7097 0.000000 0.000000 
1 1 1   -6    0   32 o   6.7970   2.4930   6.7970   2.4930   6.7970   2.4930 0.000000 0.000000 
1 1 1   -6    0   33 o   4.8060   2.2570   4.8060   2.2570   4.8060   2.2570 0.000000 0.000000 
1 1 1   -6    0   34 o   7.9640   2.0150   7.9640   2.0150   7.9640   2.0150 0.000000 0.000000 
1 1 1   -6    0   35 o   2.1430   1.5200   2.1430   1.5200   2.1430   1.5200 -0.000000 0.000000 
1 1 1   -6    0   36 o   3.8440   2.4490   3.8440   2.4490   3.8440   2.4490 -0.000000 0.000000 
1 1 1   -6    0   37 o   7.7900   1.9800   7.7900   1.9800   7.7900   1.9800 0.000000 0.000000 
1 1 1   -6    2    1 o   49.370   0.3123   49.750   0.4450   48.990   0.4382 0.7508000 0.6245000 
1 1 1   -6    2    2 o   44.940   0.2859   44.800   0.4030   45.070   0.4058 -0.2675000 0.5719000 
1 1 1   -6    2    3 o   58.740   0.3712   59.000   0.5273   58.480   0.5228 0.5157000 0.7425000 
1 1 1   -6    2    4 o   89.980   0.6540   89.870   0.9234   90.080   0.9263 -0.2130000 1.308000 
1 1 1   -6    2    5 o   83.120   0.7416   83.020   1.0470   83.230   1.0510 -0.2148000 1.483000 
1 1 1   -6    2    6 o   25.940   0.2166   25.070   0.2996   26.800   0.3129 -1.729000 0.4332000 
1 1 1   -6    2    7 o   91.570   0.5773   91.570   0.8166   91.570   0.8162 -0.2380000E-02 1.155000 
1 1 1   -6    2    8 o   47.600   0.3090   47.080   0.4323   48.130   0.4416 -1.054000 0.6180000 
1 1 1   -6    2    9 o   54.570   0.3519   54.700   0.4989   54.450   0.4965 0.2471000 0.7039000 
1 1 1   -6    2   10 o   27.660   0.4317  ?   ?    27.660   0.4317      ?      ? 
1 1 1   -6    2   11 o   69.380   0.5122   69.850   0.7295   68.920   0.7191 0.9265000 1.024000 
1 1 1   -6    2   12 o   57.710   0.3741   58.110   0.5321   57.300   0.5260 0.8114000 0.7482000 
1 1 1   -6    2   13 o   22.040   0.2992   22.700   0.3823   21.380   0.4604 1.322000 0.5984000 
1 1 1   -6    2   14 o   52.210   0.3464   51.950   0.4872   52.460   0.4924 -0.5132000 0.6927000 
1 1 1   -6    2   15 o   45.920   0.3164   46.050   0.4476   45.790   0.4473 0.2599000 0.6328000 
1 1 1   -6    2   16 o   47.980   0.3331   47.720   0.4700   48.240   0.4722 -0.5227000 0.6662000 
1 1 1   -6    2   17 o   88.750   0.5682   88.710   0.8032   88.780   0.8039 -0.6367000E-01 1.136000 
1 1 1   -6    2   18 o   41.600   0.3205   41.440   0.4512   41.760   0.4553 -0.3225000 0.6410000 
1 1 1   -6    2   19 o   53.430   0.5276   53.360   0.7418   53.490   0.7506 -0.1361000 1.055000 
1 1 1   -6    2   20 o   15.560   0.5105   15.700   0.7225   15.420   0.7214 0.2728000 1.021000 
1 1 1   -6    2   21 o   34.980   0.3276   34.760   0.4600   35.190   0.4665 -0.4285000 0.6552000 
1 1 1   -6    2   22 o   44.090   0.3438   43.900   0.4831   44.290   0.4894 -0.3929000 0.6877000 
1 1 1   -6    2   23 o   7.9500   0.9638   8.7480   1.1780   7.1520   1.5250 1.596000 1.928000 
1 1 1   -6    2   24 o   10.220   1.0720   9.6320   1.5240   10.810   1.5070 -1.173000 2.143000 
1 1 1   -6    2   25 o   35.410   0.3203   35.330   0.4496   35.480   0.4562 -0.1464000 0.6405000 
1 1 1   -6    2   26 f   11.240   0.6303   11.290   0.8732   11.180   0.9091 0.1070000 1.261000 
1 1 1   -6    2   27 o   8.7400   0.7824   8.9080   1.0570   8.5720   1.1540 0.3366000 1.565000 
1 1 1   -6    2   28 f   12.590   0.5595   12.530   0.7959   12.640   0.7866 -0.1113000 1.119000 
1 1 1   -6    2   29 o   11.460   0.6179   10.940   0.8946   11.980   0.8525 -1.041000 1.236000 
1 1 1   -6    2   30 o   3.8550   1.1320   3.4180   1.5150   4.2920   1.6810 -0.8734000 2.263000 
1 1 1   -6    2   31 f   11.450   0.7142   11.100   1.0510   11.800   0.9676 -0.6978000 1.428000 
1 1 1   -6    2   32 o   12.850   0.9265   13.500   1.2330   12.190   1.3830 1.310000 1.853000 
1 1 1   -6    2   33 o   8.4790   1.1120   7.3560   1.7220   9.6010   1.4080 -2.245000 2.224000 
1 1 1   -6    2   34 o   4.5270   1.3010   5.1180   1.9350   3.9350   1.7400 1.183000 2.603000 
1 1 1   -6    2   35 o   4.9580   1.3480   4.2270   1.8170   5.6880   1.9920 -1.462000 2.697000 
1 1 1   -6    2   36 o   4.5600   1.4410   4.9390   2.1210   4.1810   1.9520 0.7586000 2.882000 
1 1 1   -6    2   37 o   2.7740   0.9682   3.0930   1.4910   2.4550   1.2360 0.6385000 1.936000 
1 1 1   -6    4    1 o   47.490   0.3512   47.950   0.5015   47.020   0.4918 0.9336000 0.7024000 
1 1 1   -6    4    2 f   52.070   0.3844   51.830   0.5411   52.320   0.5461 -0.4940000 0.7688000 
1 1 1   -6    4    3 o   25.330   0.2479   25.780   0.3159   24.870   0.3820 0.9092000 0.4957000 
1 1 1   -6    4    4 f   79.580   0.5807   80.220   0.8276   78.950   0.8148 1.267000 1.161000 
1 1 1   -6    4    5 o  139.200   0.8744  139.400   1.2390  138.900   1.2340 0.5399000 1.749000 
1 1 1   -6    4    6 o  101.000   0.6362  101.500   0.9043  100.400   0.8951 1.101000 1.272000 
1 1 1   -6    4    7 o  138.100   0.8693  138.800   1.2360  137.400   1.2230 1.394000 1.739000 
1 1 1   -6    4    8 o   98.850   0.6247   98.500   0.8801   99.190   0.8868 -0.6923000 1.249000 
1 1 1   -6    4    9 o   54.020   0.4052   54.110   0.5735   53.930   0.5726 0.1856000 0.8104000 
1 1 1   -6    4   10 o   60.020   0.4996   59.510   0.7693   60.520   0.6376 -1.016000 0.9992000 
1 1 1   -6    4   11 o   21.360   0.2265   21.510   0.3231   21.200   0.3175 0.3096000 0.4529000 
1 1 1   -6    4   12 o   9.1860   0.4197   9.6550   0.5447   8.7170   0.6388 0.9383000 0.8395000 
1 1 1   -6    4   13 o   23.790   0.2384   23.660   0.3338   23.920   0.3403 -0.2651000 0.4767000 
1 1 1   -6    4   14 o   48.590   0.3290   48.810   0.4655   48.360   0.4651 0.4475000 0.6580000 
1 1 1   -6    4   15 o   4.7780   0.9531   5.2550   1.2910   4.3000   1.4020 0.9541000 1.906000 
1 1 1   -6    4   16 o   20.260   0.3922   20.180   0.6021   20.340   0.5029 -0.1642000 0.7844000 
1 1 1   -6    4   17 o  121.300   0.7700  121.000   1.0870  121.500   1.0910 -0.4699000 1.540000 
1 1 1   -6    4   18 o   10.500   0.7785   11.170   1.0290   9.8160   1.1690 1.359000 1.557000 
1 1 1   -6    4   19 o   29.640   0.6558  ?   ?    29.640   0.6558      ?      ? 
1 1 1   -6    4   20 o   25.960   0.3569   25.340   0.4936   26.570   0.5156 -1.236000 0.7138000 
1 1 1   -6    4   21 o   10.530   0.7369   10.750   1.0070   10.310   1.0760 0.4457000 1.474000 
1 1 1   -6    4   22 o   16.440   0.4818   16.750   0.6573   16.120   0.7046 0.6340000 0.9636000 
1 1 1   -6    4   23 o   42.530   0.3964   42.610   0.5525   42.450   0.5685 0.1576000 0.7927000 
1 1 1   -6    4   24 o   11.860   0.9100   12.170   1.2560   11.550   1.3180 0.6195000 1.820000 
1 1 1   -6    4   25 o   12.020   0.5967   12.050   0.8032   12.000   0.8826 0.5009000E-01 1.193000 
1 1 1   -6    4   26 o   28.300   0.3291   28.390   0.4534   28.220   0.4771 0.1699000 0.6582000 
1 1 1   -6    4   27 o   15.500   0.4718   15.380   0.6578   15.620   0.6766 -0.2420000 0.9437000 
1 1 1   -6    4   28 o   13.460   0.5320   12.980   0.7387   13.940   0.7657 -0.9602000 1.064000 
1 1 1   -6    4   29 o   16.130   0.4600   16.340   0.6214   15.920   0.6784 0.4218000 0.9200000 
1 1 1   -6    4   30 o   4.5120   1.0940   5.7850   1.6130   3.2390   1.4780 2.546000 2.188000 
1 1 1   -6    4   31 o   13.940   0.6833   13.840   1.0150   14.030   0.9156 -0.1879000 1.367000 
1 1 1   -6    4   32 o   14.480   0.7828   14.510   0.9612   14.450   1.2360 0.6803000E-01 1.566000 
1 1 1   -6    4   33 o   12.100   0.7888   11.830   1.1050   12.360   1.1250 -0.5231000 1.578000 
1 1 1   -6    4   34 o   5.1200   1.3400   4.5330   1.8340   5.7070   1.9540 -1.174000 2.680000 
1 1 1   -6    4   35 o   6.2590   1.5100   5.4160   2.0490   7.1030   2.2180 -1.688000 3.020000 
1 1 1   -6    4   36 o   3.2600   1.1420   3.5950   1.7400   2.9260   1.4790 0.6689000 2.284000 
1 1 1   -6    4   37 o   3.0350   1.0360   3.1190   1.4950   2.9500   1.4350 0.1689000 2.072000 
1 1 1   -6    6    1 o  134.800   0.8474  135.200   1.2020  134.400   1.1950 0.7971000 1.695000 
1 1 1   -6    6    2 o   90.090   0.5688   90.300   0.8063   89.870   0.8024 0.4211000 1.138000 
1 1 1   -6    6    3 o  169.300   1.0650  170.600   1.5180  168.000   1.4940 2.604000 2.129000 
1 1 1   -6    6    4 o   9.4590   0.3509   10.160   0.4653   8.7580   0.5254 1.402000 0.7018000 
1 1 1   -6    6    5 o   41.290   0.3031   41.470   0.4599   41.110   0.3948 0.3623000 0.6061000 
1 1 1   -6    6    6 o   19.840   0.2250   19.860   0.3167   19.830   0.3198 0.2423000E-01 0.4501000 
1 1 1   -6    6    7 o   39.190   0.3138   39.250   0.4439   39.130   0.4437 0.1203000 0.6277000 
1 1 1   -6    6    8 o   38.110   0.3100   37.780   0.4334   38.450   0.4435 -0.6730000 0.6201000 
1 1 1   -6    6    9 o   38.710   0.3147   39.120   0.4487   38.310   0.4413 0.8053000 0.6294000 
1 1 1   -6    6   10 o   31.950   0.2851   32.210   0.4046   31.690   0.4018 0.5197000 0.5702000 
1 1 1   -6    6   11 o   13.620   0.3163   13.950   0.4346   13.290   0.4596 0.6695000 0.6326000 
1 1 1   -6    6   12 o   44.050   0.3049   44.390   0.4329   43.700   0.4295 0.6866000 0.6098000 
1 1 1   -6    6   13 o   78.220   0.5016   78.460   0.7110   77.970   0.7079 0.4879000 1.003000 
1 1 1   -6    6   14 o   76.580   0.4929   76.560   0.6967   76.600   0.6975 -0.3925000E-01 0.9859000 
1 1 1   -6    6   15 o   86.480   0.5542   86.360   0.7824   86.600   0.7852 -0.2433000 1.108000 
1 1 1   -6    6   16 o   33.570   0.2970   34.040   0.4143   33.110   0.4256 0.9262000 0.5939000 
1 1 1   -6    6   17 o   42.640   0.3779   42.600   0.5352   42.680   0.5335 -0.8336000E-01 0.7557000 
1 1 1   -6    6   18 o   29.930   0.4223   30.320   0.5458   29.530   0.6447 0.7927000 0.8447000 
1 1 1   -6    6   19 o   18.040   0.5011   18.490   0.6574   17.590   0.7564 0.9011000 1.002000 
1 1 1   -6    6   20 o   27.160   0.3721   26.890   0.4793   27.430   0.5693 -0.5432000 0.7442000 
1 1 1   -6    6   21 o   49.020   0.3650   49.300   0.5153   48.740   0.5171 0.5643000 0.7300000 
1 1 1   -6    6   22 o   21.860   0.3797   22.000   0.5226   21.720   0.5508 0.2802000 0.7593000 
1 1 1   -6    6   23 o   22.930   0.4435   23.790   0.5738   22.070   0.6765 1.723000 0.8871000 
1 1 1   -6    6   24 o   18.710   0.4762   19.390   0.6591   18.040   0.6876 1.344000 0.9525000 
1 1 1   -6    6   25 o   26.240   0.3325   26.140   0.4532   26.350   0.4866 -0.2097000 0.6650000 
1 1 1   -6    6   26 o   25.690   0.3324   25.930   0.4567   25.450   0.4832 0.4797000 0.6648000 
1 1 1   -6    6   27 o   12.270   0.5806   11.820   0.8247   12.720   0.8174 -0.8935000 1.161000 
1 1 1   -6    6   28 o   12.120   0.5847   11.700   0.8101   12.530   0.8434 -0.8350000 1.169000 
1 1 1   -6    6   29 o   18.240   0.4323   17.860   0.6040   18.620   0.6186 -0.7682000 0.8646000 
1 1 1   -6    6   30 o   9.5770   0.8246   9.5740   1.0930   9.5790   1.2350 -0.4823000E-02 1.649000 
1 1 1   -6    6   31 o   9.1350   1.2010   10.820   1.2390   7.4480   2.0570 3.373000 2.401000 
1 1 1   -6    6   32 o   4.3590   1.2700   3.3810   1.5820   5.3380   1.9860 -1.957000 2.540000 
1 1 1   -6    6   33 o   8.1480   1.1890   9.1480   1.5060   7.1490   1.8410 1.999000 2.378000 
1 1 1   -6    6   34 o   5.7460   1.3700   5.4950   1.9360   5.9980   1.9400 -0.5024000 2.741000 
1 1 1   -6    6   35 o   6.8400   1.4400   5.5410   2.0320   8.1400   2.0400 -2.599000 2.879000 
1 1 1   -6    6   36 o   4.2330   1.3200   4.7090   1.9860   3.7570   1.7410 0.9518000 2.641000 
1 1 1   -6    6   37 o   2.2860   0.8180   2.1960   1.1160   2.3760   1.1970 -0.1806000 1.636000 
1 1 1   -6    8    1 f   93.500   0.5916   93.290   0.8348   93.720   0.8386 -0.4314000 1.183000 
1 1 1   -6    8    2 o   74.570   0.4752   74.640   0.6727   74.490   0.6715 0.1536000 0.9504000 
1 1 1   -6    8    3 o   15.810   0.3052   15.810   0.4276   15.810   0.4356 0.7306000E-02 0.6104000 
1 1 1   -6    8    4 o   40.060   0.3224   39.380   0.4496   40.740   0.4623 -1.355000 0.6449000 
1 1 1   -6    8    5 o   18.090   0.3260   19.010   0.4897   17.180   0.4305 1.835000 0.6521000 
1 1 1   -6    8    6 o   25.420   0.2584   25.370   0.3400   25.460   0.3891 -0.8976000E-01 0.5167000 
1 1 1   -6    8    7 o   20.050   0.2923   20.040   0.4148   20.050   0.4119 -0.1102000E-01 0.5846000 
1 1 1   -6    8    8 o   10.780   0.4539   11.100   0.6157   10.460   0.6670 0.6353000 0.9077000 
1 1 1   -6    8    9 o   20.420   0.2596   20.460   0.3642   20.380   0.3700 0.8120000E-01 0.5192000 
1 1 1   -6    8   10 o   15.480   0.3133   15.550   0.4413   15.410   0.4448 0.1403000 0.6265000 
1 1 1   -6    8   11 o   64.390   0.4197   64.330   0.5929   64.460   0.5941 -0.1285000 0.8393000 
1 1 1   -6    8   12 o   45.740   0.3191   46.070   0.4533   45.410   0.4493 0.6557000 0.6382000 
1 1 1   -6    8   13 o   43.350   0.3128   43.770   0.4447   42.930   0.4402 0.8436000 0.6257000 
1 1 1   -6    8   14 f   90.740   0.5811   90.920   0.8231   90.560   0.8205 0.3549000 1.162000 
1 1 1   -6    8   15 o   28.400   0.3291   28.820   0.4124   27.980   0.5129 0.8469000 0.6581000 
1 1 1   -6    8   16 o   32.690   0.3418   33.180   0.5151   32.200   0.4495 0.9790000 0.6837000 
1 1 1   -6    8   17 o   27.700   0.3976   27.610   0.5618   27.790   0.5627 -0.1759000 0.7951000 
1 1 1   -6    8   18 o   19.120   0.4681   18.720   0.6442   19.520   0.6793 -0.8002000 0.9362000 
1 1 1   -6    8   19 o   49.420   0.3696   49.210   0.5196   49.620   0.5259 -0.4092000 0.7393000 
1 1 1   -6    8   20 o   31.630   0.3362   31.760   0.4663   31.490   0.4844 0.2718000 0.6724000 
1 1 1   -6    8   21 o   20.340   0.4099   20.250   0.5604   20.430   0.5983 -0.1716000 0.8197000 
1 1 1   -6    8   22 o   25.020   0.4185   25.230   0.5501   24.820   0.6309 0.4129000 0.8370000 
1 1 1   -6    8   23 o   4.3070   1.2080   5.2160   1.8410   3.3980   1.5660 1.819000 2.417000 
1 1 1   -6    8   24 o   18.600   0.4166   18.970   0.5621   18.240   0.6150 0.7251000 0.8332000 
1 1 1   -6    8   25 o   17.000   0.4395   16.590   0.5946   17.410   0.6473 -0.8145000 0.8790000 
1 1 1   -6    8   26 o   8.4310   0.8491   7.6330   1.2400   9.2290   1.1600 -1.596000 1.698000 
1 1 1   -6    8   27 f   3.9000   1.0520   4.9680   1.6180   2.8320   1.3450 2.136000 2.104000 
1 1 1   -6    8   28 f   9.0630   0.8130   9.3400   1.0750   8.7850   1.2200 0.5546000 1.626000 
1 1 1   -6    8   29 o   6.9070   1.1240   6.9610   1.4920   6.8520   1.6800 0.1090000 2.247000 
1 1 1   -6    8   30 o   9.1850   1.0520   9.8960   1.3550   8.4740   1.6090 1.422000 2.103000 
1 1 1   -6    8   31 o   7.2640   1.2690   7.7970   1.5890   6.7300   1.9780 1.067000 2.537000 
1 1 1   -6    8   32 o   5.4590   1.3450   5.5440   1.8930   5.3730   1.9100 0.1718000 2.690000 
1 1 1   -6    8   33 o   4.8090   1.3220   4.5420   1.8310   5.0750   1.9080 -0.5330000 2.644000 
1 1 1   -6    8   34 o   8.7970   1.1830   10.050   1.3990   7.5470   1.9090 2.500000 2.367000 
1 1 1   -6    8   35 o   3.7130   1.8090  ?   ?    3.7130   1.8090      ?      ? 
1 1 1   -6    8   36 o   2.6400   0.9283   2.3970   1.2090   2.8830   1.4090 -0.4864000 1.857000 
1 1 1   -6   10    1 o   29.250   0.2847   29.170   0.4018   29.330   0.4035 -0.1652000 0.5694000 
1 1 1   -6   10    2 o   24.370   0.2841   24.340   0.4004   24.400   0.4031 -0.6023000E-01 0.5682000 
1 1 1   -6   10    3 o   51.270   0.3954   51.380   0.5602   51.150   0.5582 0.2266000 0.7908000 
1 1 1   -6   10    4 o   35.580   0.3112   35.520   0.4380   35.650   0.4422 -0.1318000 0.6224000 
1 1 1   -6   10    5 o   44.570   0.3566   44.900   0.5061   44.240   0.5026 0.6552000 0.7133000 
1 1 1   -6   10    6 o   39.700   0.3348   38.350   0.4627   41.060   0.4840 -2.706000 0.6695000 
1 1 1   -6   10    7 o   20.920   0.2770   21.010   0.3869   20.830   0.3965 0.1847000 0.5540000 
1 1 1   -6   10    8 o   67.000   0.4357   66.570   0.6123   67.430   0.6200 -0.8556000 0.8714000 
1 1 1   -6   10    9 o   45.290   0.3200   45.460   0.4535   45.120   0.4517 0.3388000 0.6401000 
1 1 1   -6   10   10 o   14.800   0.3691   15.010   0.5075   14.600   0.5361 0.4107000 0.7383000 
1 1 1   -6   10   11 f   26.600   0.2861   26.420   0.4001   26.780   0.4091 -0.3530000 0.5722000 
1 1 1   -6   10   12 o   35.640   0.2987   35.270   0.4172   36.000   0.4276 -0.7316000 0.5974000 
1 1 1   -6   10   13 o   48.970   0.3520   48.880   0.4941   49.060   0.5014 -0.1756000 0.7040000 
1 1 1   -6   10   14 o   27.670   0.3113   27.680   0.4330   27.660   0.4475 0.2114000E-01 0.6227000 
1 1 1   -6   10   15 o   31.280   0.3819   31.400   0.5401   31.170   0.5401 0.2213000 0.7638000 
1 1 1   -6   10   16 o   45.970   0.4213   46.230   0.5989   45.710   0.5928 0.5272000 0.8426000 
1 1 1   -6   10   17 o   13.760   0.6257   14.400   0.8064   13.120   0.9568 1.283000 1.251000 
1 1 1   -6   10   18 o   15.900   0.5298   15.960   0.7276   15.840   0.7703 0.1158000 1.060000 
1 1 1   -6   10   19 o   22.230   0.3940   22.600   0.5487   21.860   0.5654 0.7402000 0.7879000 
1 1 1   -6   10   20 o   34.670   0.3351   34.700   0.4652   34.630   0.4825 0.6754000E-01 0.6703000 
1 1 1   -6   10   21 o   5.3320   1.2980   4.2870   1.7230   6.3770   1.9420 -2.090000 2.596000 
1 1 1   -6   10   22 o   20.900   0.5492   22.010   0.8629   19.790   0.6797 2.215000 1.098000 
1 1 1   -6   10   23 o   22.410   0.4299   21.660   0.6115   23.150   0.6045 -1.490000 0.8599000 
1 1 1   -6   10   24 o   12.750   0.6294   14.100   0.8440   11.390   0.9339 2.713000 1.259000 
1 1 1   -6   10   25 o   6.2460   1.0980   6.4450   1.4480   6.0470   1.6510 0.3984000 2.196000 
1 1 1   -6   10   26 o   19.710   0.4050   19.450   0.5546   19.970   0.5902 -0.5205000 0.8099000 
1 1 1   -6   10   27 o   12.800   0.5866   13.320   0.7521   12.270   0.9003 1.045000 1.173000 
1 1 1   -6   10   28 o   18.450   0.4326   18.680   0.5641   18.220   0.6559 0.4564000 0.8651000 
1 1 1   -6   10   29 o   12.570   0.7412   12.870   0.9756   12.280   1.1160 0.5905000 1.482000 
1 1 1   -6   10   30 f   8.8900   1.1370   10.210   1.2780   7.5720   1.8810 2.636000 2.274000 
1 1 1   -6   10   31 o   5.1510   1.3570   5.3940   1.8850   4.9070   1.9530 0.4870000 2.714000 
1 1 1   -6   10   32 o   10.080   0.9469   10.060   1.3280   10.110   1.3500 -0.5236000E-01 1.894000 
1 1 1   -6   10   33 o   16.380   0.6008   16.830   0.7932   15.920   0.9026 0.9149000 1.202000 
1 1 1   -6   10   34 o   4.2820   1.3330   4.5340   1.9220   4.0300   1.8480 0.5040000 2.666000 
1 1 1   -6   10   35 o   4.1980   1.2920   3.2890   1.5890   5.1080   2.0380 -1.820000 2.584000 
1 1 1   -6   10   36 o   2.3820   0.8491   2.4470   1.2280   2.3170   1.1730 0.1305000 1.698000 
1 1 1   -6   12    1 f   7.9460   0.6309   8.1120   0.8753   7.7790   0.9088 0.3332000 1.262000 
1 1 1   -6   12    2 o   38.750   0.2870   38.420   0.4038   39.080   0.4079 -0.6621000 0.5740000 
1 1 1   -6   12    3 o   48.880   0.3350   48.730   0.4721   49.030   0.4753 -0.2993000 0.6699000 
1 1 1   -6   12    4 o   84.160   0.5387   83.740   0.7578   84.570   0.7659 -0.8263000 1.077000 
1 1 1   -6   12    5 o   27.880   0.2752   28.140   0.3827   27.620   0.3955 0.5114000 0.5504000 
1 1 1   -6   12    6 o   38.710   0.3208   38.000   0.4132   39.430   0.4909 -1.435000 0.6417000 
1 1 1   -6   12    7 o   59.610   0.3980   59.380   0.5612   59.830   0.5645 -0.4481000 0.7960000 
1 1 1   -6   12    8 o   40.500   0.3549   39.350   0.4903   41.640   0.5132 -2.282000 0.7097000 
1 1 1   -6   12    9 o   39.020   0.3093   39.450   0.4372   38.600   0.4375 0.8559000 0.6186000 
1 1 1   -6   12   10 o   27.370   0.3103   27.580   0.4305   27.160   0.4471 0.4153000 0.6207000 
1 1 1   -6   12   11 o   49.060   0.3523   48.990   0.4952   49.130   0.5014 -0.1372000 0.7047000 
1 1 1   -6   12   12 o   19.590   0.3746   19.670   0.5085   19.520   0.5501 0.1490000 0.7491000 
1 1 1   -6   12   13 o   39.860   0.3902   39.550   0.5506   40.170   0.5530 -0.6206000 0.7804000 
1 1 1   -6   12   14 o   33.310   0.4058   33.310   0.5741   33.310   0.5736 -0.1766000E-02 0.8115000 
1 1 1   -6   12   15 o   25.120   0.4235   25.650   0.5732   24.580   0.6236 1.073000 0.8470000 
1 1 1   -6   12   16 o   39.080   0.4441   39.720   0.5396   38.440   0.7056 1.278000 0.8883000 
1 1 1   -6   12   17 o   27.010   0.3771   26.780   0.5236   27.250   0.5428 -0.4691000 0.7542000 
1 1 1   -6   12   18 o   28.080   0.3627   27.930   0.5051   28.240   0.5207 -0.3030000 0.7255000 
1 1 1   -6   12   19 o   15.070   0.5417   15.240   0.7151   14.900   0.8137 0.3396000 1.083000 
1 1 1   -6   12   20 o   32.230   0.3928   32.070   0.5231   32.400   0.5862 -0.3332000 0.7857000 
1 1 1   -6   12   21 o   24.290   0.4235   24.610   0.5974   23.960   0.6005 0.6515000 0.8470000 
1 1 1   -6   12   22 o   31.020   0.3858   30.880   0.5355   31.160   0.5554 -0.2803000 0.7715000 
1 1 1   -6   12   23 o   6.2260   1.1570   6.1430   1.5570   6.3090   1.7110 -0.1668000 2.314000 
1 1 1   -6   12   24 o   17.490   0.4428   16.780   0.6110   18.200   0.6412 -1.415000 0.8857000 
1 1 1   -6   12   25 o   10.200   0.7074   10.770   0.9099   9.6240   1.0830 1.147000 1.415000 
1 1 1   -6   12   26 o   12.660   0.5929   12.760   0.7875   12.570   0.8865 0.1915000 1.186000 
1 1 1   -6   12   27 o   17.900   0.4463   17.450   0.6063   18.360   0.6551 -0.9079000 0.8926000 
1 1 1   -6   12   28 o   11.920   0.6781   11.560   0.9486   12.280   0.9692 -0.7258000 1.356000 
1 1 1   -6   12   29 o   5.9950   1.2700   4.4210   1.8240   7.5680   1.7690 -3.147000 2.541000 
1 1 1   -6   12   30 f   7.8460   1.1910   9.4400   1.3320   6.2530   1.9760 3.187000 2.383000 
1 1 1   -6   12   31 o   4.9350   1.2260   6.2870   1.8250   3.5840   1.6390 2.703000 2.453000 
1 1 1   -6   12   32 o   6.7280   1.3280   7.3160   1.7750   6.1410   1.9770 1.175000 2.656000 
1 1 1   -6   12   33 o   5.1900   1.4420   5.4180   2.0060   4.9630   2.0720 0.4549000 2.884000 
1 1 1   -6   12   34 o   4.0930   1.2950   4.0460   1.8170   4.1400   1.8460 -0.9456000E-01 2.591000 
1 1 1   -6   12   35 o   3.0310   1.0310   3.1730   1.5090   2.8890   1.4050 0.2840000 2.062000 
1 1 1   -6   14    1 o   32.480   0.2855   32.210   0.4025   32.740   0.4049 -0.5354000 0.5709000 
1 1 1   -6   14    2 f   24.600   0.2953   24.630   0.4156   24.570   0.4195 0.5896000E-01 0.5905000 
1 1 1   -6   14    3 o   19.860   0.3375   19.990   0.4714   19.730   0.4830 0.2576000 0.6750000 
1 1 1   -6   14    4 o   21.710   0.3284   21.750   0.4570   21.660   0.4717 0.8222000E-01 0.6568000 
1 1 1   -6   14    5 o   40.500   0.3153   40.590   0.4424   40.400   0.4493 0.1912000 0.6306000 
1 1 1   -6   14    6 o   66.350   0.4749   67.210   0.7224   65.490   0.6165 1.720000 0.9497000 
1 1 1   -6   14    7 o   13.270   0.5041   13.360   0.6932   13.170   0.7320 0.1923000 1.008000 
1 1 1   -6   14    8 o   71.970   0.4731   72.140   0.6696   71.790   0.6686 0.3538000 0.9462000 
1 1 1   -6   14    9 o   36.620   0.3229   36.400   0.4503   36.840   0.4630 -0.4471000 0.6459000 
1 1 1   -6   14   10 o   29.760   0.3958   29.290   0.5538   30.230   0.5657 -0.9369000 0.7917000 
1 1 1   -6   14   11 o   57.330   0.4681   57.450   0.6632   57.220   0.6610 0.2324000 0.9363000 
1 1 1   -6   14   12 o   48.590   0.4348   48.490   0.6112   48.680   0.6186 -0.1932000 0.8696000 
1 1 1   -6   14   13 o   25.520   0.4886   25.060   0.5821   25.980   0.7849 -0.9203000 0.9771000 
1 1 1   -6   14   14 f   12.860   0.7408   12.440   1.0700   13.290   1.0250 -0.8514000 1.482000 
1 1 1   -6   14   15 o   69.310   0.4704   69.140   0.6633   69.480   0.6673 -0.3372000 0.9409000 
1 1 1   -6   14   16 o   14.430   0.5950   13.650   0.8601   15.210   0.8222 -1.558000 1.190000 
1 1 1   -6   14   17 o   11.500   0.7297   12.480   0.8917   10.530   1.1550 1.951000 1.459000 
1 1 1   -6   14   18 o   21.260   0.4955   21.150   0.6451   21.370   0.7523 -0.2183000 0.9911000 
1 1 1   -6   14   19 o   4.0270   1.2000   3.1220   1.4560   4.9320   1.9070 -1.809000 2.399000 
1 1 1   -6   14   20 o   12.580   0.6938   12.520   0.9587   12.630   1.0030 -0.1125000 1.388000 
1 1 1   -6   14   21 o   9.2460   0.8793   10.120   1.0430   8.3750   1.4160 1.744000 1.759000 
1 1 1   -6   14   22 o   16.300   0.4755   16.200   0.6442   16.410   0.6998 -0.2119000 0.9511000 
1 1 1   -6   14   23 o   8.2060   0.8921   8.1270   1.1740   8.2850   1.3430 -0.1574000 1.784000 
1 1 1   -6   14   24 o   9.1060   0.8224   9.2360   1.0620   8.9770   1.2560 0.2590000 1.645000 
1 1 1   -6   14   25 o   14.350   0.5395   14.900   0.6855   13.800   0.8333 1.103000 1.079000 
1 1 1   -6   14   26 o   15.990   0.5053   16.610   0.6527   15.360   0.7716 1.255000 1.011000 
1 1 1   -6   14   27 o   5.2770   1.1940   7.1950   1.7910   3.3590   1.5790 3.835000 2.388000 
1 1 1   -6   14   28 o   8.1550   1.2410   7.5540   1.7950   8.7560   1.7140 -1.202000 2.482000 
1 1 1   -6   14   29 o   4.9520   1.3080   5.5350   1.8680   4.3680   1.8330 1.167000 2.617000 
1 1 1   -6   14   30 o   4.7420   1.3080   5.0270   1.8410   4.4560   1.8580 0.5701000 2.616000 
1 1 1   -6   14   31 o   4.0230   1.2260   4.6690   1.8610   3.3780   1.5960 1.291000 2.452000 
1 1 1   -6   14   32 o   17.000   0.7545   18.070   1.0170   15.930   1.1140 2.132000 1.509000 
1 1 1   -6   14   33 o   7.7310   1.2730   7.9460   1.7520   7.5160   1.8480 0.4305000 2.547000 
1 1 1   -6   14   34 o   2.8230   0.9895   2.6510   1.3280   2.9950   1.4670 -0.3433000 1.979000 
1 1 1   -6   16    1 f   47.960   0.3487   47.660   0.4907   48.260   0.4956 -0.6051000 0.6974000 
1 1 1   -6   16    2 o   37.510   0.3170   37.610   0.4459   37.420   0.4508 0.1823000 0.6340000 
1 1 1   -6   16    3 o   56.040   0.3875   55.790   0.5447   56.300   0.5512 -0.5074000 0.7750000 
1 1 1   -6   16    4 o   44.600   0.3677   44.930   0.4800   44.270   0.5572 0.6517000 0.7354000 
1 1 1   -6   16    5 o   46.130   0.3497   45.590   0.4858   46.680   0.5032 -1.090000 0.6994000 
1 1 1   -6   16    6 o   18.420   0.5220   18.430   0.7079   18.400   0.7672 0.3076000E-01 1.044000 
1 1 1   -6   16    7 o   20.230   0.5027   20.500   0.6904   19.970   0.7309 0.5288000 1.005000 
1 1 1   -6   16    8 o   24.930   0.4556   24.770   0.6320   25.100   0.6563 -0.3336000 0.9111000 
1 1 1   -6   16    9 o   4.7460   1.3130   4.9980   1.9050   4.4940   1.8070 0.5043000 2.626000 
1 1 1   -6   16   10 o   40.210   0.3609   39.960   0.5009   40.470   0.5197 -0.5080000 0.7218000 
1 1 1   -6   16   11 o   30.410   0.4157   30.440   0.5732   30.380   0.6021 0.5858000E-01 0.8313000 
1 1 1   -6   16   12 o   5.9390   1.2900   4.1650   1.7670   7.7120   1.8800 -3.547000 2.580000 
1 1 1   -6   16   13 o   31.770   0.3757   31.690   0.5171   31.850   0.5451 -0.1599000 0.7513000 
1 1 1   -6   16   14 o   25.540   0.3958   25.900   0.5384   25.180   0.5802 0.7213000 0.7916000 
1 1 1   -6   16   15 o   26.520   0.3830   26.830   0.5256   26.210   0.5573 0.6257000 0.7661000 
1 1 1   -6   16   16 o   20.590   0.5351   21.790   0.6530   19.380   0.8480 2.407000 1.070000 
1 1 1   -6   16   17 o   29.430   0.4155   29.440   0.5517   29.430   0.6214 0.5697000E-02 0.8310000 
1 1 1   -6   16   18 o   23.210   0.4424   22.600   0.6229   23.830   0.6284 -1.227000 0.8848000 
1 1 1   -6   16   19 o   18.550   0.5024   18.560   0.6847   18.540   0.7353 0.2166000E-01 1.005000 
1 1 1   -6   16   20 o   12.340   0.6283   11.590   0.8766   13.100   0.9003 -1.506000 1.257000 
1 1 1   -6   16   21 o   12.230   0.6347   12.870   0.7991   11.600   0.9862 1.273000 1.269000 
1 1 1   -6   16   22 o   14.270   0.5389   14.680   0.7005   13.860   0.8191 0.8201000 1.078000 
1 1 1   -6   16   23 o   16.060   0.4991   16.110   0.6576   16.000   0.7508 0.1077000 0.9981000 
1 1 1   -6   16   24 f   6.6050   1.1000   8.3710   1.2800   4.8400   1.7880 3.531000 2.200000 
1 1 1   -6   16   25 o   3.8240   1.1400   3.8220   1.5850   3.8250   1.6400 -0.2991000E-02 2.281000 
1 1 1   -6   16   26 o   7.1650   1.3420   7.5690   1.8930   6.7610   1.9020 0.8079000 2.684000 
1 1 1   -6   16   27 o   16.720   0.5519   16.900   0.7080   16.530   0.8469 0.3720000 1.104000 
1 1 1   -6   16   28 o   6.6100   1.3360   6.0190   1.8530   7.2000   1.9250 -1.181000 2.672000 
1 1 1   -6   16   29 o   5.3970   1.3510   5.0430   1.8470   5.7520   1.9730 -0.7095000 2.702000 
1 1 1   -6   16   30 o   3.1320   1.0600   2.6470   1.3040   3.6170   1.6710 -0.9698000 2.120000 
1 1 1   -6   16   31 o   7.8250   1.3560   9.5520   1.6250   6.0970   2.1710 3.455000 2.712000 
1 1 1   -6   16   32 o   7.4860   1.2020   9.9010   1.3770   5.0700   1.9720 4.830000 2.405000 
1 1 1   -6   16   33 o   2.9400   1.0220   2.9750   1.4590   2.9040   1.4320 0.7094000E-01 2.045000 
1 1 1   -6   18    1 o   27.340   0.3767   27.740   0.5295   26.940   0.5359 0.7962000 0.7534000 
1 1 1   -6   18    2 o   40.600   0.3499   41.100   0.4950   40.110   0.4946 0.9913000 0.6998000 
1 1 1   -6   18    3 o   48.250   0.5157   48.660   0.7367   47.850   0.7217 0.8073000 1.031000 
1 1 1   -6   18    4 o   67.280   0.4567   67.410   0.6452   67.150   0.6465 0.2618000 0.9134000 
1 1 1   -6   18    5 o   49.290   0.4361   49.170   0.6098   49.400   0.6237 -0.2238000 0.8723000 
1 1 1   -6   18    6 o   35.030   0.4110   35.150   0.5730   34.920   0.5894 0.2334000 0.8220000 
1 1 1   -6   18    7 o   40.980   0.4126   41.030   0.5766   40.920   0.5905 0.1025000 0.8253000 
1 1 1   -6   18    8 o   28.920   0.4247   29.060   0.5858   28.780   0.6149 0.2802000 0.8493000 
1 1 1   -6   18    9 o   10.660   0.8826   10.490   1.1970   10.830   1.2980 -0.3434000 1.765000 
1 1 1   -6   18   10 o   47.570   0.3750   46.910   0.5157   48.240   0.5445 -1.338000 0.7500000 
1 1 1   -6   18   11 o   22.160   0.4452   22.050   0.6160   22.270   0.6430 -0.2241000 0.8905000 
1 1 1   -6   18   12 o   53.940   0.4003   53.920   0.5620   53.950   0.5702 -0.2896000E-01 0.8007000 
1 1 1   -6   18   13 o   40.520   0.4189   40.740   0.5702   40.300   0.6138 0.4453000 0.8377000 
1 1 1   -6   18   14 o   26.950   0.4453   27.160   0.5853   26.740   0.6713 0.4234000 0.8907000 
1 1 1   -6   18   15 o   6.7810   1.1960   7.5860   1.5240   5.9770   1.8440 1.609000 2.392000 
1 1 1   -6   18   16 o   9.8450   0.9206   9.4300   1.3310   10.260   1.2720 -0.8293000 1.841000 
1 1 1   -6   18   17 o   29.690   0.4064   29.740   0.5666   29.640   0.5826 0.9615000E-01 0.8127000 
1 1 1   -6   18   18 o   32.320   0.3449   31.670   0.4752   32.960   0.5001 -1.292000 0.6899000 
1 1 1   -6   18   19 o   5.7270   1.1880   5.0350   1.6910   6.4190   1.6690 -1.384000 2.376000 
1 1 1   -6   18   20 o   11.730   0.6564   11.880   0.8651   11.570   0.9874 0.3092000 1.313000 
1 1 1   -6   18   21 o   11.990   0.6606   12.330   0.8441   11.650   1.0160 0.6751000 1.321000 
1 1 1   -6   18   22 o   13.740   0.5920   12.690   0.8481   14.790   0.8263 -2.104000 1.184000 
1 1 1   -6   18   23 o   11.150   0.7583   12.310   0.9087   9.9970   1.2140 2.315000 1.517000 
1 1 1   -6   18   24 o   10.100   0.8800   11.140   1.0650   9.0560   1.4010 2.079000 1.760000 
1 1 1   -6   18   25 o   9.0530   1.2120   9.4210   1.6020   8.6850   1.8190 0.7363000 2.424000 
1 1 1   -6   18   26 o   5.1240   1.2950   5.5990   1.7900   4.6500   1.8730 0.9492000 2.591000 
1 1 1   -6   18   27 o   5.8110   1.3990   4.8870   1.9030   6.7350   2.0510 -1.848000 2.798000 
1 1 1   -6   18   28 o   5.4500   1.2180   3.4720   1.5840   7.4280   1.8510 -3.956000 2.436000 
1 1 1   -6   18   29 o   5.2960   1.3720   4.7280   1.8750   5.8630   2.0030 -1.136000 2.743000 
1 1 1   -6   18   30 o   4.8880   1.3900   3.8710   1.7580   5.9050   2.1530 -2.034000 2.779000 
1 1 1   -6   18   31 o   4.3540   1.3130   4.4580   1.8330   4.2500   1.8820 0.2084000 2.627000 
1 1 1   -6   18   32 o   2.5230   0.9023   2.1460   1.0980   2.8990   1.4320 -0.7527000 1.805000 
1 1 1   -6   20    1 o   31.110   0.3656   31.370   0.5129   30.850   0.5212 0.5244000 0.7313000 
1 1 1   -6   20    2 o   15.440   0.5866   15.440   0.8235   15.430   0.8355 0.1249000E-01 1.173000 
1 1 1   -6   20    3 o   24.070   0.4125   23.880   0.5833   24.250   0.5835 -0.3675000 0.8251000 
1 1 1   -6   20    4 o   58.420   0.4142   57.800   0.5794   59.050   0.5921 -1.251000 0.8284000 
1 1 1   -6   20    5 o   9.0600   1.0680   10.430   1.1830   7.6950   1.7780 2.731000 2.135000 
1 1 1   -6   20    6 o   13.150   0.7172   14.310   0.8671   11.980   1.1430 2.330000 1.434000 
1 1 1   -6   20    7 o   38.130   0.3567   37.830   0.4893   38.440   0.5190 -0.6097000 0.7133000 
1 1 1   -6   20    8 o   39.400   0.3595   39.340   0.4910   39.450   0.5254 -0.1110000 0.7191000 
1 1 1   -6   20    9 o   27.670   0.4400   27.770   0.5721   27.560   0.6687 0.2039000 0.8800000 
1 1 1   -6   20   10 o   5.4560   1.3760   5.6290   1.8750   5.2820   2.0160 0.3467000 2.753000 
1 1 1   -6   20   11 o   9.8700   1.0090   8.6110   1.4750   11.130   1.3780 -2.519000 2.019000 
1 1 1   -6   20   12 o   28.590   0.3640   29.250   0.4790   27.940   0.5483 1.312000 0.7280000 
1 1 1   -6   20   13 o   32.770   0.4159   32.960   0.5866   32.580   0.5899 0.3807000 0.8319000 
1 1 1   -6   20   14 o   39.790   0.4122   39.500   0.5856   40.080   0.5804 -0.5750000 0.8245000 
1 1 1   -6   20   15 o   5.5730   1.3460   5.7230   1.8960   5.4240   1.9100 0.2994000 2.691000 
1 1 1   -6   20   16 o   4.0090   1.1630   4.4520   1.6950   3.5670   1.5920 0.8858000 2.325000 
1 1 1   -6   20   17 f   15.250   0.5330   15.490   0.7186   15.010   0.7873 0.4822000 1.066000 
1 1 1   -6   20   18 o   25.990   0.3706   25.920   0.5127   26.060   0.5352 -0.1391000 0.7412000 
1 1 1   -6   20   19 o   15.220   0.5454   14.810   0.7614   15.630   0.7811 -0.8250000 1.091000 
1 1 1   -6   20   20 o   21.460   0.4200   21.870   0.5748   21.040   0.6126 0.8354000 0.8400000 
1 1 1   -6   20   21 o   20.190   0.4441   19.900   0.6185   20.470   0.6374 -0.5641000 0.8882000 
1 1 1   -6   20   22 o   10.140   0.8479   10.820   1.0780   9.4740   1.3090 1.341000 1.696000 
1 1 1   -6   20   23 o   18.930   0.6106   19.000   0.8662   18.870   0.8609 0.1304000 1.221000 
1 1 1   -6   20   24 f   10.390   0.8503   10.310   1.1480   10.480   1.2550 -0.1605000 1.701000 
1 1 1   -6   20   25 o   7.8290   1.2840   7.9400   1.7260   7.7170   1.9020 0.2233000 2.569000 
1 1 1   -6   20   26 o   4.8000   1.3590   4.2500   1.8100   5.3500   2.0270 -1.101000 2.717000 
1 1 1   -6   20   27 o   5.4030   1.3110   6.5070   1.8850   4.2980   1.8220 2.208000 2.622000 
1 1 1   -6   20   28 o   3.8460   1.2390   3.2680   1.5690   4.4230   1.9180 -1.155000 2.478000 
1 1 1   -6   20   29 f   3.4250   1.1280   3.2120   1.5130   3.6380   1.6730 -0.4254000 2.255000 
1 1 1   -6   20   30 o   2.9420   1.0330   2.8340   1.4190   3.0500   1.5020 -0.2159000 2.066000 
1 1 1   -6   20   31 f   2.3090   0.8336   2.2660   1.1610   2.3530   1.1970 -0.8694000E-01 1.667000 
1 1 1   -6   22    1 f   22.960   0.4598   23.120   0.6255   22.800   0.6741 0.3146000 0.9196000 
1 1 1   -6   22    2 o   29.870   0.4009   29.700   0.5534   30.040   0.5801 -0.3380000 0.8017000 
1 1 1   -6   22    3 o   25.800   0.4235   26.240   0.5791   25.370   0.6182 0.8714000 0.8470000 
1 1 1   -6   22    4 o   47.110   0.4193   46.230   0.5806   47.980   0.6051 -1.751000 0.8386000 
1 1 1   -6   22    5 o   9.9270   1.0300   8.6160   1.5170   11.240   1.3950 -2.623000 2.061000 
1 1 1   -6   22    6 o   30.040   0.3850   29.960   0.5480   30.120   0.5411 -0.1550000 0.7701000 
1 1 1   -6   22    7 o   3.8270   1.1670   4.0810   1.6850   3.5720   1.6140 0.5095000 2.333000 
1 1 1   -6   22    8 o   14.860   0.5813   16.080   0.7084   13.640   0.9218 2.434000 1.163000 
1 1 1   -6   22    9 o   11.300   0.8084   11.480   1.0730   11.130   1.2100 0.3564000 1.617000 
1 1 1   -6   22   10 o   12.710   0.7192   13.450   0.8939   11.960   1.1270 1.487000 1.438000 
1 1 1   -6   22   11 o   12.460   0.7295   11.920   1.0120   13.010   1.0510 -1.090000 1.459000 
1 1 1   -6   22   12 o   12.230   0.6516   11.340   0.9320   13.130   0.9108 -1.792000 1.303000 
1 1 1   -6   22   13 o   12.270   0.6472   11.840   0.8746   12.690   0.9541 -0.8506000 1.294000 
1 1 1   -6   22   14 o   26.290   0.3943   26.570   0.5578   26.010   0.5574 0.5603000 0.7885000 
1 1 1   -6   22   15 o   8.2400   1.0270   8.3810   1.3760   8.1000   1.5260 0.2817000 2.055000 
1 1 1   -6   22   16 o   9.1840   0.9158   9.2200   1.2080   9.1490   1.3760 0.7104000E-01 1.832000 
1 1 1   -6   22   17 o   12.430   0.6814   12.060   0.9474   12.800   0.9795 -0.7441000 1.363000 
1 1 1   -6   22   18 o   6.6410   1.1960   7.4910   1.5230   5.7920   1.8430 1.699000 2.391000 
1 1 1   -6   22   19 o   3.2760   1.0610   3.6730   1.6080   2.8790   1.3860 0.7945000 2.123000 
1 1 1   -6   22   20 o   13.890   0.7981   13.670   1.1610   14.100   1.0950 -0.4274000 1.596000 
1 1 1   -6   22   21 o   7.2610   1.4400   7.0060   2.0660   7.5170   2.0080 -0.5109000 2.881000 
1 1 1   -6   22   22 o   5.9510   1.2850   6.8810   1.7690   5.0200   1.8650 1.860000 2.570000 
1 1 1   -6   22   23 o   7.0870   1.3610   7.8940   1.7740   6.2810   2.0630 1.613000 2.721000 
1 1 1   -6   22   24 o   6.3300   1.3520   4.4000   1.8580   8.2610   1.9660 -3.860000 2.704000 
1 1 1   -6   22   25 o   8.4790   1.3610   8.8390   1.9850   8.1200   1.8630 0.7190000 2.723000 
1 1 1   -6   22   26 o   4.6100   1.4700   5.1880   2.2900   4.0310   1.8440 1.158000 2.941000 
1 1 1   -6   22   27 o   4.0940   1.3300   3.7330   1.8200   4.4540   1.9400 -0.7209000 2.660000 
1 1 1   -6   22   28 o   5.1170   1.4060   6.4970   2.2490   3.7370   1.6870 2.759000 2.812000 
1 1 1   -6   22   29 o   2.2220   0.8033   2.3310   1.1850   2.1140   1.0850 0.2167000 1.607000 
1 1 1   -6   24    1 o   18.980   0.4979   19.750   0.6575   18.210   0.7480 1.543000 0.9959000 
1 1 1   -6   24    2 o   27.350   0.4110   26.470   0.5699   28.240   0.5924 -1.772000 0.8220000 
1 1 1   -6   24    3 o   40.270   0.3972   39.910   0.5511   40.630   0.5720 -0.7170000 0.7943000 
1 1 1   -6   24    4 o   27.730   0.4140   27.490   0.5692   27.960   0.6014 -0.4666000 0.8281000 
1 1 1   -6   24    5 o   4.8850   1.2910   4.4930   1.7170   5.2760   1.9290 -0.7837000 2.583000 
1 1 1   -6   24    6 o   10.500   0.7790   9.4190   1.1480   11.580   1.0540 -2.159000 1.558000 
1 1 1   -6   24    7 o   7.2000   1.1230   6.9250   1.5480   7.4750   1.6270 -0.5502000 2.246000 
1 1 1   -6   24    8 o   10.680   0.7440   9.8420   1.0880   11.510   1.0150 -1.670000 1.488000 
1 1 1   -6   24    9 o   7.2050   1.0980   8.1430   1.3170   6.2670   1.7570 1.876000 2.196000 
1 1 1   -6   24   10 o   3.2860   1.0570   2.9060   1.3640   3.6660   1.6140 -0.7606000 2.114000 
1 1 1   -6   24   11 o   13.680   0.5897   12.800   0.8178   14.570   0.8498 -1.772000 1.179000 
1 1 1   -6   24   12 o   21.460   0.4103   20.970   0.5495   21.950   0.6094 -0.9855000 0.8206000 
1 1 1   -6   24   13 o   7.0420   1.1410   7.2330   1.5050   6.8500   1.7160 0.3838000 2.282000 
1 1 1   -6   24   14 o   14.350   0.6061   15.380   0.7323   13.330   0.9659 2.045000 1.212000 
1 1 1   -6   24   15 o   12.640   0.6819   13.090   0.8619   12.200   1.0570 0.8910000 1.364000 
1 1 1   -6   24   16 o   10.350   0.8923   10.420   1.2310   10.270   1.2920 0.1525000 1.785000 
1 1 1   -6   24   17 o   12.220   0.7479   11.950   1.0260   12.490   1.0880 -0.5350000 1.496000 
1 1 1   -6   24   18 o   5.1010   1.4620   4.8390   2.0210   5.3630   2.1120 -0.5244000 2.923000 
1 1 1   -6   24   19 o   6.0010   1.4850   7.2340   2.1900   4.7670   2.0070 2.467000 2.971000 
1 1 1   -6   24   20 o   11.960   0.9035   12.860   1.3150   11.050   1.2390 1.808000 1.807000 
1 1 1   -6   24   21 o   4.0250   1.2780   3.4340   1.6560   4.6160   1.9480 -1.181000 2.556000 
1 1 1   -6   24   22 o   5.2480   1.4750   5.9560   2.2160   4.5390   1.9490 1.417000 2.951000 
1 1 1   -6   24   23 o   4.5580   1.2920   3.3570   1.6360   5.7580   2.0000 -2.401000 2.584000 
1 1 1   -6   24   24 o   4.0920   1.3190   5.2490   2.2010   2.9360   1.4560 2.313000 2.639000 
1 1 1   -6   24   25 o   3.8200   1.2420   4.1660   1.8520   3.4740   1.6560 0.6921000 2.485000 
1 1 1   -6   24   26 o   3.1460   1.0550   3.5720   1.6280   2.7200   1.3430 0.8524000 2.111000 
1 1 1   -6   24   27 o   2.0780   0.7539   2.1200   1.0850   2.0360   1.0470 0.8413000E-01 1.508000 
1 1 1   -6   26    1 f   15.760   0.5148   16.370   0.6895   15.150   0.7647 1.215000 1.030000 
1 1 1   -6   26    2 o   15.910   0.5036   16.570   0.6750   15.250   0.7475 1.322000 1.007000 
1 1 1   -6   26    3 o   21.440   0.4042   21.670   0.5617   21.220   0.5813 0.4474000 0.8083000 
1 1 1   -6   26    4 o   3.4680   1.1020   2.6660   1.2880   4.2700   1.7890 -1.604000 2.205000 
1 1 1   -6   26    5 o   22.300   0.4118   21.270   0.5736   23.340   0.5909 -2.071000 0.8235000 
1 1 1   -6   26    6 o   31.880   0.3565   31.970   0.4860   31.800   0.5217 0.1669000 0.7130000 
1 1 1   -6   26    7 o   19.670   0.4542   18.860   0.6262   20.480   0.6582 -1.623000 0.9085000 
1 1 1   -6   26    8 o   15.360   0.5545   15.610   0.7277   15.110   0.8368 0.4975000 1.109000 
1 1 1   -6   26    9 o   18.280   0.4841   18.530   0.6388   18.040   0.7277 0.4860000 0.9683000 
1 1 1   -6   26   10 o   21.320   0.4328   20.940   0.5920   21.690   0.6314 -0.7467000 0.8656000 
1 1 1   -6   26   11 o   4.4920   1.2410   3.7940   1.6260   5.1910   1.8750 -1.397000 2.482000 
1 1 1   -6   26   12 o   14.670   0.6120   15.210   0.7675   14.130   0.9535 1.081000 1.224000 
1 1 1   -6   26   13 o   8.7990   1.1260   7.4560   1.8280   10.140   1.3140 -2.687000 2.252000 
1 1 1   -6   26   14 o   6.7520   1.7160   6.9250   2.7100   6.5790   2.1050 0.3460000 3.432000 
1 1 1   -6   26   15 o   4.9630   1.5820   6.2270   2.6530   3.6990   1.7230 2.528000 3.164000 
1 1 1   -6   26   16 o   4.3930   1.4040   4.3850   2.1210   4.4010   1.8410 -0.1634000E-01 2.808000 
1 1 1   -6   26   17 o   4.2300   1.2460   3.2610   1.5930   5.2000   1.9180 -1.939000 2.493000 
1 1 1   -6   26   18 o   3.3370   1.1310   3.0960   1.5290   3.5770   1.6670 -0.4807000 2.261000 
1 1 1   -6   26   19 f   4.9660   1.3820   4.0740   1.7950   5.8580   2.1020 -1.784000 2.764000 
1 1 1   -6   26   20 o   6.5500   1.3820   6.6150   1.8920   6.4840   2.0150 0.1313000 2.765000 
1 1 1   -6   26   21 o   4.9800   1.3700   4.9510   1.9250   5.0090   1.9500 -0.5852000E-01 2.740000 
1 1 1   -6   26   22 o   4.0160   1.2780   3.5390   1.6570   4.4920   1.9460 -0.9532000 2.556000 
1 1 1   -6   26   23 o   4.4690   1.3480   4.6570   1.9280   4.2810   1.8850 0.3764000 2.696000 
1 1 1   -6   26   24 o   2.9520   1.0100   2.7830   1.3640   3.1210   1.4890 -0.3382000 2.019000 
1 1 1   -6   26   25 o   3.0170   1.0470   2.6620   1.3310   3.3720   1.6160 -0.7102000 2.094000 
1 1 1   -6   28    1 o   4.4570   1.2140   5.1150   1.7820   3.8000   1.6500 1.315000 2.429000 
1 1 1   -6   28    2 o   10.540   0.7933   9.6400   1.1940   11.440   1.0450 -1.799000 1.587000 
1 1 1   -6   28    3 f   5.8390   1.2050   4.5180   1.7440   7.1600   1.6650 -2.642000 2.411000 
1 1 1   -6   28    4 o   14.280   0.6518   14.150   0.8389   14.410   0.9979 -0.2599000 1.304000 
1 1 1   -6   28    5 o   14.700   0.5993   13.900   0.8482   15.490   0.8468 -1.591000 1.199000 
1 1 1   -6   28    6 o   10.010   1.1530   8.4780   2.0070   11.530   1.1350 -3.054000 2.305000 
1 1 1   -6   28    7 o   12.670   0.9214   11.250   1.5800   14.080   0.9487 -2.830000 1.843000 
1 1 1   -6   28    8 o   10.260   1.1630   8.1600   2.0610   12.360   1.0800 -4.197000 2.327000 
1 1 1   -6   28    9 o   5.8800   1.5210   4.8530   2.2570   6.9070   2.0380 -2.053000 3.041000 
1 1 1   -6   28   10 f   5.8620   1.6880   6.5920   2.7040   5.1310   2.0220 1.462000 3.376000 
1 1 1   -6   28   11 f   17.580   1.0550   15.800   1.9320   19.360   0.8503 -3.558000 2.110000 
1 1 1   -6   28   12 o   3.8470   1.1830   3.1910   1.5040   4.5020   1.8260 -1.311000 2.366000 
1 1 1   -6   28   13 o   3.8940   1.1580   4.8780   1.8350   2.9110   1.4140 1.967000 2.317000 
1 1 1   -6   28   14 o   4.7730   1.3210   3.8890   1.7000   5.6570   2.0210 -1.768000 2.641000 
1 1 1   -6   28   15 o   5.4310   1.3700   6.5870   2.0030   4.2760   1.8680 2.311000 2.739000 
1 1 1   -6   28   16 o   3.1150   1.0740   2.9830   1.4560   3.2460   1.5800 -0.2625000 2.148000 
1 1 1   -6   28   17 o   5.5960   1.3440   6.4930   1.8800   4.7000   1.9220 1.793000 2.688000 
1 1 1   -6   28   18 o   3.6940   1.1880   3.6880   1.6640   3.7000   1.6960 -0.1208000E-01 2.377000 
1 1 1   -6   28   19 o   3.8850   1.2570   3.8200   1.7420   3.9500   1.8130 -0.1304000 2.514000 
1 1 1   -6   28   20 o   3.1380   1.0730   3.2230   1.5380   3.0530   1.4980 0.1697000 2.147000 
1 1 1   -6   28   21 o   3.1130   1.0480   3.2190   1.5110   3.0070   1.4530 0.2119000 2.096000 
1 1 1   -6   28   22 o   3.2020   1.0940   3.3960   1.6100   3.0080   1.4810 0.3879000 2.188000 
1 1 1   -6   28   23 o   2.3690   0.8724   2.0540   1.0630   2.6830   1.3840 -0.6287000 1.745000 
1 1 1   -6   30    1 o   13.850   1.1950   13.160   2.1540   14.540   1.0350 -1.374000 2.389000 
1 1 1   -6   30    2 f   19.890   0.8499   19.660   1.4990   20.130   0.8013 -0.4732000 1.700000 
1 1 1   -6   30    3 o   15.000   1.1960   13.180   2.2070   16.820   0.9233 -3.639000 2.392000 
1 1 1   -6   30    4 o   14.000   0.8721   13.260   1.4550   14.750   0.9625 -1.489000 1.744000 
1 1 1   -6   30    5 o   16.570   0.5866   16.340   0.8160   16.800   0.8431 -0.4515000 1.173000 
1 1 1   -6   30    6 o   12.430   0.8277   12.740   1.1910   12.120   1.1500 0.6191000 1.655000 
1 1 1   -6   30    7 f   9.7620   1.0040   8.5990   1.5620   10.930   1.2620 -2.327000 2.008000 
1 1 1   -6   30    8 o   5.6050   1.3020   3.5810   1.6650   7.6290   2.0030 -4.048000 2.604000 
1 1 1   -6   30    9 o   8.2680   1.3110   8.3950   1.7830   8.1410   1.9210 0.2546000 2.621000 
1 1 1   -6   30   10 o   7.9880   1.3620   7.3980   1.9520   8.5780   1.9010 -1.180000 2.724000 
1 1 1   -6   30   11 o   13.750   0.8004   13.930   1.0780   13.570   1.1840 0.3542000 1.601000 
1 1 1   -6   30   12 o   6.5460   1.2910   5.3420   1.8820   7.7500   1.7680 -2.408000 2.582000 
1 1 1   -6   30   13 o   4.0340   1.2310   4.1480   1.7510   3.9190   1.7310 0.2284000 2.462000 
1 1 1   -6   30   14 o   3.6190   1.1640   3.7720   1.6800   3.4660   1.6130 0.3061000 2.329000 
1 1 1   -6   30   15 o   4.4940   1.3540   4.3630   1.8580   4.6250   1.9700 -0.2618000 2.708000 
1 1 1   -6   30   16 o   5.1440   1.4010   4.1860   1.8370   6.1020   2.1150 -1.916000 2.802000 
1 1 1   -6   30   17 o   4.8420   1.3170   5.2270   1.8900   4.4560   1.8360 0.7709000 2.635000 
1 1 1   -6   30   18 o   2.1420   0.7698   2.1350   1.0840   2.1490   1.0930 -0.1431000E-01 1.540000 
1 1 1   -6   30   19 o   8.3630   1.3070   8.8820   1.7120   7.8450   1.9770 1.038000 2.615000 
1 1 1   -6   30   20 o   2.0880   0.7677   2.0190   1.0500   2.1560   1.1200 -0.1372000 1.535000 
1 1 1   -6   32    1 o   4.1520   1.1890   5.3550   1.8980   2.9480   1.4320 2.407000 2.377000 
1 1 1   -6   32    2 o   4.0710   1.2250   4.6670   1.8460   3.4740   1.6100 1.193000 2.449000 
1 1 1   -6   32    3 o   4.7160   1.2910   5.4370   1.9000   3.9950   1.7490 1.442000 2.582000 
1 1 1   -6   32    4 o   10.290   0.9492   9.3420   1.4130   11.230   1.2680 -1.892000 1.898000 
1 1 1   -6   32    5 o   15.870   0.6192   15.830   0.8266   15.920   0.9223 -0.9131000E-01 1.238000 
1 1 1   -6   32    6 o   14.300   0.6873   14.460   0.9002   14.140   1.0390 0.3165000 1.375000 
1 1 1   -6   32    7 o   2.7760   0.9628   3.0550   1.4610   2.4960   1.2540 0.5593000 1.926000 
1 1 1   -6   32    8 o   3.1520   1.0520   3.5960   1.6200   2.7090   1.3420 0.8867000 2.104000 
1 1 1   -6   32    9 o   5.1610   1.3940   5.7140   1.9940   4.6080   1.9500 1.106000 2.789000 
1 1 1   -6   32   10 o   4.3000   1.3060   4.6140   1.8890   3.9870   1.8040 0.6272000 2.612000 
1 1 1   -6   32   11 o   3.1810   1.0820   3.2370   1.5410   3.1260   1.5180 0.1108000 2.163000 
1 1 1   -6   32   12 o   2.8870   1.0020   2.8890   1.4150   2.8840   1.4180 0.5302000E-02 2.003000 
1 1 1   -6   32   13 o   3.2190   1.0610   3.7130   1.6460   2.7240   1.3390 0.9896000 2.122000 
1 1 1   -6   32   14 o   2.5790   0.9022   2.5730   1.2710   2.5850   1.2810 -0.1201000E-01 1.804000 
1 1 1   -6   32   15 o   2.4660   0.8784   2.6040   1.3000   2.3280   1.1810 0.2758000 1.757000 
1 1 1   -6   32   16 o   2.4570   1.2700  ?   ?    2.4570   1.2700      ?      ? 
1 1 1   -6   34    1 o   3.7180   1.1900   4.2880   1.8380   3.1470   1.5130 1.141000 2.380000 
1 1 1   -6   34    2 o   2.9890   1.0310   2.5590   1.2830   3.4200   1.6140 -0.8602000 2.062000 
1 1 1   -6   34    3 o   3.8820   1.2190   4.4580   1.8570   3.3060   1.5810 1.152000 2.439000 
1 1 1   -6   34    4 o   4.9230   1.3110   4.5930   1.8070   5.2530   1.8990 -0.6594000 2.621000 
1 1 1   -6   34    5 o   5.4310   1.3300   5.6340   1.8630   5.2290   1.8970 0.4055000 2.659000 
1 1 1   -6   34    6 o   2.6220   0.9145   2.7430   1.3390   2.5010   1.2460 0.2419000 1.829000 
1 1 1   -6   34    7 o   3.0090   1.0180   2.7810   1.3520   3.2370   1.5220 -0.4563000 2.036000 
1 1 1   -6   34    8 o   2.1420   0.7740   2.2540   1.1460   2.0290   1.0410 0.2244000 1.548000 
1 1 1   -6   34    9 o   2.0780   0.7524   2.0210   1.0370   2.1340   1.0910 -0.1126000 1.505000 
1 1 1   -5    1    1 o   78.960   0.5359   78.820   0.8090   79.090   0.7031 -0.2672000 1.072000 
1 1 1   -5    1    2 o   61.190   0.3850   61.220   0.5448   61.150   0.5440 0.6623000E-01 0.7699000 
1 1 1   -5    1    3 o   42.300   0.2686   41.960   0.3768   42.640   0.3829 -0.6829000 0.5372000 
1 1 1   -5    1    4 o   49.230   0.3385   49.620   0.5155   48.850   0.4389 0.7756000 0.6770000 
1 1 1   -5    1    5 o   39.140   0.3575   39.260   0.5069   39.020   0.5043 0.2388000 0.7150000 
1 1 1   -5    1    6 o   77.630   0.4896   78.090   0.6966   77.180   0.6883 0.9075000 0.9792000 
1 1 1   -5    1    7 o   48.230   0.3104   47.960   0.4366   48.500   0.4412 -0.5420000 0.6207000 
1 1 1   -5    1    8 o   49.870   0.3216   50.040   0.4564   49.710   0.4533 0.3277000 0.6433000 
1 1 1   -5    1    9 o   57.760   0.3703   58.090   0.5264   57.430   0.5210 0.6612000 0.7406000 
1 1 1   -5    1   10 o   32.550   0.3315   32.900   0.4735   32.200   0.4640 0.7039000 0.6629000 
1 1 1   -5    1   11 o   34.540   0.2844   34.290   0.4022   34.780   0.4023 -0.4914000 0.5689000 
1 1 1   -5    1   12 o   28.410   0.2264   28.330   0.3198   28.500   0.3207 -0.1678000 0.4529000 
1 1 1   -5    1   13 o   19.400   0.2368   19.560   0.3346   19.240   0.3351 0.3199000 0.4736000 
1 1 1   -5    1   14 o   30.500   0.2465   30.480   0.3498   30.510   0.3474 -0.3050000E-01 0.4930000 
1 1 1   -5    1   15 o   55.440   0.3668   55.710   0.5208   55.160   0.5167 0.5542000 0.7337000 
1 1 1   -5    1   16 o   42.100   0.3049   42.110   0.4316   42.090   0.4307 0.2416000E-01 0.6097000 
1 1 1   -5    1   17 o   32.020   0.2863   31.820   0.4005   32.220   0.4093 -0.4014000 0.5727000 
1 1 1   -5    1   18 o   80.250   0.5186   80.300   0.7335   80.210   0.7334 0.8983000E-01 1.037000 
1 1 1   -5    1   19 o   25.920   0.6533  ?   ?    25.920   0.6533      ?      ? 
1 1 1   -5    1   20 o   18.730   0.4420   18.520   0.6133   18.930   0.6366 -0.4104000 0.8840000 
1 1 1   -5    1   21 o   35.410   0.3596   36.080   0.4684   34.750   0.5457 1.331000 0.7192000 
1 1 1   -5    1   22 o   8.4180   0.9814   6.9580   1.5920   9.8780   1.1490 -2.920000 1.963000 
1 1 1   -5    1   23 o   26.760   0.3444   26.780   0.4784   26.740   0.4956 0.4546000E-01 0.6889000 
1 1 1   -5    1   24 o   10.640   1.0690   11.210   1.3480   10.070   1.6590 1.135000 2.137000 
1 1 1   -5    1   25 f   24.550   0.3440   24.610   0.4818   24.480   0.4912 0.1263000 0.6880000 
1 1 1   -5    1   26 o   17.480   0.4190   17.970   0.5631   17.000   0.6206 0.9705000 0.8380000 
1 1 1   -5    1   27 o   8.4920   0.8121   7.8110   1.2090   9.1740   1.0840 -1.362000 1.624000 
1 1 1   -5    1   28 o   13.530   0.5376   14.490   0.6870   12.570   0.8270 1.926000 1.075000 
1 1 1   -5    1   29 o   17.830   0.4299   18.150   0.5948   17.510   0.6209 0.6425000 0.8598000 
1 1 1   -5    1   30 f   8.7330   0.8775   8.8360   1.1850   8.6310   1.2940 0.2051000 1.755000 
1 1 1   -5    1   31 o   19.390   0.4552   19.450   0.6471   19.320   0.6404 0.1238000 0.9105000 
1 1 1   -5    1   32 o   8.3440   1.3380   7.5370   2.0670   9.1520   1.6980 -1.615000 2.675000 
1 1 1   -5    1   33 o   5.1610   1.2930   4.2150   1.7700   6.1080   1.8860 -1.893000 2.587000 
1 1 1   -5    1   34 o   6.4510   1.3410   5.2220   1.9570   7.6800   1.8340 -2.458000 2.682000 
1 1 1   -5    1   35 o   6.6400   1.3870   6.6140   1.9700   6.6660   1.9530 -0.5178000E-01 2.774000 
1 1 1   -5    1   36 o   4.5970   1.4650   4.8980   2.1520   4.2960   1.9890 0.6022000 2.931000 
1 1 1   -5    1   37 o   3.1760   1.0720   2.8560   1.3990   3.4960   1.6250 -0.6396000 2.144000 
1 1 1   -5    3    1 o   87.330   0.5497   87.300   0.7768   87.360   0.7779 -0.6322000E-01 1.099000 
1 1 1   -5    3    2 o   46.310   0.3416   46.430   0.4845   46.190   0.4817 0.2359000 0.6832000 
1 1 1   -5    3    3 o   27.460   0.2207   27.990   0.3167   26.940   0.3074 1.048000 0.4413000 
1 1 1   -5    3    4 o   51.830   0.4682   51.560   0.6588   52.100   0.6654 -0.5418000 0.9364000 
1 1 1   -5    3    5 o   45.000   0.3365   44.410   0.4696   45.600   0.4820 -1.191000 0.6729000 
1 1 1   -5    3    6 o   55.930   0.3577   55.680   0.5037   56.190   0.5079 -0.5086000 0.7153000 
1 1 1   -5    3    7 o  132.200   0.8321  132.200   1.1770  132.200   1.1770 0.1709000E-02 1.664000 
1 1 1   -5    3    8 o   93.530   0.6368   92.240   0.9509   94.820   0.8473 -2.574000 1.274000 
1 1 1   -5    3    9 o   63.950   0.4725   64.300   0.6710   63.600   0.6654 0.6957000 0.9450000 
1 1 1   -5    3   10 o   66.050   0.5996   66.700   0.8555   65.410   0.8404 1.280000 1.199000 
1 1 1   -5    3   11 o   35.630   0.2528   35.820   0.3590   35.430   0.3560 0.3816000 0.5056000 
1 1 1   -5    3   12 f   42.160   0.2883   42.480   0.4099   41.850   0.4056 0.6314000 0.5766000 
1 1 1   -5    3   13 o   21.540   0.2361   21.650   0.3343   21.440   0.3335 0.2154000 0.4722000 
1 1 1   -5    3   14 o   62.400   0.4054   62.430   0.5731   62.380   0.5736 0.5051000E-01 0.8109000 
1 1 1   -5    3   15 o   18.750   0.2865   18.930   0.4062   18.570   0.4042 0.3523000 0.5730000 
1 1 1   -5    3   16 o   50.580   0.3471   50.560   0.4910   50.590   0.4908 -0.3257000E-01 0.6942000 
1 1 1   -5    3   17 o   61.580   0.4102   61.520   0.5787   61.650   0.5814 -0.1306000 0.8203000 
1 1 1   -5    3   18 o   73.080   0.4781   72.770   0.6723   73.400   0.6798 -0.6300000 0.9561000 
1 1 1   -5    3   19 o   60.940   0.5831   60.650   0.8153   61.230   0.8338 -0.5784000 1.166000 
1 1 1   -5    3   20 o   6.6080   1.1460   7.3880   1.4470   5.8290   1.7780 1.559000 2.292000 
1 1 1   -5    3   21 o   32.230   0.3494   32.610   0.5069   31.850   0.4812 0.7613000 0.6989000 
1 1 1   -5    3   22 o   41.300   0.3389   41.020   0.4734   41.580   0.4852 -0.5620000 0.6779000 
1 1 1   -5    3   23 o   23.970   0.4334   24.310   0.5707   23.620   0.6525 0.6896000 0.8668000 
1 1 1   -5    3   24 o   19.810   0.5909   20.250   0.8045   19.370   0.8658 0.8834000 1.182000 
1 1 1   -5    3   25 o   5.2080   1.1660   5.6580   1.6060   4.7580   1.6900 0.9005000 2.331000 
1 1 1   -5    3   26 o   31.570   0.3199   31.340   0.4450   31.800   0.4599 -0.4586000 0.6399000 
1 1 1   -5    3   27 o   7.0310   1.0050   7.8500   1.2610   6.2110   1.5660 1.639000 2.010000 
1 1 1   -5    3   28 o   15.170   0.4855   15.210   0.6777   15.130   0.6953 0.7315000E-01 0.9709000 
1 1 1   -5    3   29 o   12.040   0.5956   12.020   0.8219   12.050   0.8622 -0.2662000E-01 1.191000 
1 1 1   -5    3   30 o   3.1310   1.0110   3.3840   1.4920   2.8790   1.3650 0.5057000 2.022000 
1 1 1   -5    3   31 o   5.3000   1.3420   4.6760   1.8570   5.9240   1.9380 -1.248000 2.684000 
1 1 1   -5    3   32 o   10.730   1.1280   10.460   1.6110   11.000   1.5800 -0.5402000 2.257000 
1 1 1   -5    3   33 o   12.700   0.7306   12.700   1.0200   12.700   1.0460 0.8268000E-02 1.461000 
1 1 1   -5    3   34 o   5.0450   1.3550   5.3900   1.9590   4.7010   1.8730 0.6883000 2.710000 
1 1 1   -5    3   35 o   4.1870   1.2770   4.5850   1.8880   3.7880   1.7200 0.7964000 2.554000 
1 1 1   -5    3   36 o   3.8200   1.2760   4.7510   2.0910   2.8900   1.4620 1.861000 2.552000 
1 1 1   -5    3   37 o   2.7530   0.9590   2.7900   1.3740   2.7170   1.3380 0.7388000E-01 1.918000 
1 1 1   -5    5    1 o  122.900   0.8932  122.800   1.2620  123.000   1.2640 -0.2555000 1.786000 
1 1 1   -5    5    2 f   89.350   0.6510   88.900   0.9161   89.800   0.9253 -0.9064000 1.302000 
1 1 1   -5    5    3 o  136.700   0.9933  136.500   1.4030  136.900   1.4070 -0.4395000 1.987000 
1 1 1   -5    5    4 o   54.810   0.3526   55.160   0.5017   54.460   0.4957 0.6972000 0.7053000 
1 1 1   -5    5    5 o  101.800   0.6420  102.000   0.9091  101.600   0.9066 0.3240000 1.284000 
1 1 1   -5    5    6 o   50.790   0.3310   51.300   0.4721   50.290   0.4640 1.003000 0.6619000 
1 1 1   -5    5    7 o   39.420   0.2691   39.570   0.3811   39.270   0.3800 0.2968000 0.5382000 
1 1 1   -5    5    8 o   65.560   0.4857   64.920   0.6804   66.200   0.6933 -1.282000 0.9715000 
1 1 1   -5    5    9 o   20.870   0.3142   20.570   0.4468   21.170   0.4420 -0.6034000 0.6285000 
1 1 1   -5    5   10 o   37.120   0.3038   37.020   0.4307   37.220   0.4285 -0.1965000 0.6076000 
1 1 1   -5    5   11 f   70.240   0.4508   70.540   0.6401   69.940   0.6349 0.5993000 0.9016000 
1 1 1   -5    5   12 o   19.870   0.2471   19.980   0.3447   19.750   0.3542 0.2290000 0.4943000 
1 1 1   -5    5   13 o   44.450   0.3071   44.120   0.4311   44.780   0.4373 -0.6622000 0.6141000 
1 1 1   -5    5   14 o   36.110   0.2765   36.260   0.3908   35.950   0.3912 0.3066000 0.5530000 
1 1 1   -5    5   15 o   43.040   0.3547   43.050   0.4979   43.030   0.5053 0.1947000E-01 0.7094000 
1 1 1   -5    5   16 o   38.170   0.3036   38.420   0.4263   37.920   0.4325 0.4990000 0.6073000 
1 1 1   -5    5   17 o   50.480   0.3544   50.620   0.5007   50.350   0.5017 0.2698000 0.7088000 
1 1 1   -5    5   18 o   13.680   0.6172   14.260   0.8420   13.100   0.9025 1.162000 1.234000 
1 1 1   -5    5   19 o   15.710   0.5635   15.230   0.7820   16.180   0.8116 -0.9482000 1.127000 
1 1 1   -5    5   20 o   34.450   0.3335   34.440   0.4666   34.460   0.4766 -0.2215000E-01 0.6670000 
1 1 1   -5    5   21 o   49.030   0.3652   49.340   0.5196   48.720   0.5132 0.6221000 0.7303000 
1 1 1   -5    5   22 o   13.180   0.6006   13.910   0.7884   12.440   0.9062 1.470000 1.201000 
1 1 1   -5    5   23 o   19.440   0.4979   19.280   0.6605   19.600   0.7452 -0.3193000 0.9958000 
1 1 1   -5    5   24 o   12.060   0.7099   11.060   1.0830   13.060   0.9182 -2.000000 1.420000 
1 1 1   -5    5   25 o   24.960   0.3355   25.030   0.4644   24.880   0.4844 0.1419000 0.6711000 
1 1 1   -5    5   26 o   11.790   0.6113   12.090   0.8033   11.480   0.9217 0.6112000 1.223000 
1 1 1   -5    5   27 o   9.2810   0.7981   10.480   0.8980   8.0840   1.3200 2.394000 1.596000 
1 1 1   -5    5   28 o   17.750   0.4340   18.090   0.5784   17.400   0.6472 0.6876000 0.8680000 
1 1 1   -5    5   29 o   5.1730   1.0910   6.7210   1.5170   3.6250   1.5670 3.096000 2.181000 
1 1 1   -5    5   30 o   6.6550   1.1440   6.9790   1.5350   6.3310   1.6960 0.6488000 2.288000 
1 1 1   -5    5   31 o   16.040   0.6767   16.660   0.8387   15.420   1.0620 1.241000 1.353000 
1 1 1   -5    5   32 o   4.7110   1.3020   3.6670   1.6490   5.7550   2.0150 -2.089000 2.604000 
1 1 1   -5    5   33 o   5.1910   1.3560   5.2460   1.9260   5.1370   1.9100 0.1090000 2.712000 
1 1 1   -5    5   34 o   9.8440   1.0190   10.560   1.2760   9.1290   1.5880 1.431000 2.037000 
1 1 1   -5    5   35 o   4.5110   1.3670   4.6590   1.9390   4.3630   1.9270 0.2956000 2.733000 
1 1 1   -5    5   36 o   3.5300   1.1800   3.3420   1.6100   3.7190   1.7250 -0.3771000 2.360000 
1 1 1   -5    5   37 o   2.7020   0.9451   2.8100   1.3820   2.5940   1.2890 0.2161000 1.890000 
1 1 1   -5    7    1 o   71.730   0.4561   71.980   0.6472   71.480   0.6429 0.4980000 0.9122000 
1 1 1   -5    7    2 o   62.800   0.4026   63.040   0.5712   62.570   0.5673 0.4730000 0.8051000 
1 1 1   -5    7    3 o  110.300   0.6955  110.400   0.9847  110.200   0.9825 0.2242000 1.391000 
1 1 1   -5    7    4 o   93.500   0.5914   93.420   0.8356   93.580   0.8370 -0.1536000 1.183000 
1 1 1   -5    7    5 o   44.460   0.3001   44.320   0.4236   44.610   0.4253 -0.2962000 0.6003000 
1 1 1   -5    7    6 o   88.460   0.6488   88.340   0.9159   88.590   0.9190 -0.2520000 1.298000 
1 1 1   -5    7    7 o   48.270   0.3727   47.890   0.5228   48.660   0.5312 -0.7675000 0.7453000 
1 1 1   -5    7    8 o   54.260   0.4127   53.930   0.5809   54.590   0.5864 -0.6686000 0.8254000 
1 1 1   -5    7    9 o   54.110   0.4127   53.590   0.5794   54.630   0.5878 -1.041000 0.8254000 
1 1 1   -5    7   10 o   32.070   0.2526   32.230   0.3570   31.910   0.3576 0.3211000 0.5053000 
1 1 1   -5    7   11 o   17.260   0.2785   16.800   0.3961   17.710   0.3916 -0.9107000 0.5570000 
1 1 1   -5    7   12 o   38.530   0.2840   38.980   0.4028   38.070   0.4004 0.9039000 0.5679000 
1 1 1   -5    7   13 o   25.410   0.2646   25.380   0.3676   25.440   0.3807 -0.6321000E-01 0.5292000 
1 1 1   -5    7   14 o   20.450   0.3298   20.810   0.4927   20.080   0.4386 0.7292000 0.6597000 
1 1 1   -5    7   15 o   13.860   0.5271   13.740   0.7201   13.990   0.7700 -0.2540000 1.054000 
1 1 1   -5    7   16 o   57.560   0.3906   57.190   0.5495   57.940   0.5553 -0.7509000 0.7812000 
1 1 1   -5    7   17 o   71.330   0.5444   71.290   0.7697   71.370   0.7700 -0.8043000E-01 1.089000 
1 1 1   -5    7   18 o   16.120   0.6914   13.690   1.0650   18.550   0.8824 -4.854000 1.383000 
1 1 1   -5    7   19 o   27.360   0.3517   27.000   0.4829   27.730   0.5116 -0.7355000 0.7035000 
1 1 1   -5    7   20 o   6.9990   1.0930   7.3230   1.4170   6.6740   1.6650 0.6494000 2.186000 
1 1 1   -5    7   21 o   12.880   0.6088   13.760   0.7512   12.010   0.9583 1.751000 1.218000 
1 1 1   -5    7   22 o   15.130   0.6129   15.490   0.7863   14.770   0.9403 0.7116000 1.226000 
1 1 1   -5    7   23 o   17.340   0.6568   16.850   0.9174   17.820   0.9402 -0.9695000 1.314000 
1 1 1   -5    7   24 o   12.660   0.5674   12.630   0.7768   12.680   0.8273 -0.4904000E-01 1.135000 
1 1 1   -5    7   25 o   28.240   0.3286   28.200   0.4523   28.270   0.4767 -0.7354000E-01 0.6572000 
1 1 1   -5    7   26 o   6.0060   1.0930   7.0460   1.3580   4.9660   1.7120 2.080000 2.186000 
1 1 1   -5    7   27 o   4.1790   1.1510   3.9990   1.5850   4.3600   1.6680 -0.3614000 2.301000 
1 1 1   -5    7   28 o   6.5440   1.0680   7.6320   1.3060   5.4560   1.6910 2.177000 2.136000 
1 1 1   -5    7   29 o   5.5700   1.1500   6.4340   1.5340   4.7060   1.7140 1.727000 2.300000 
1 1 1   -5    7   30 o   7.5800   1.1510   5.8840   1.8900   9.2750   1.3120 -3.391000 2.301000 
1 1 1   -5    7   31 o   5.3210   1.3080   6.9190   1.9540   3.7230   1.7380 3.196000 2.615000 
1 1 1   -5    7   32 o   6.6000   1.2810   7.5000   1.7190   5.7010   1.9000 1.799000 2.562000 
1 1 1   -5    7   33 o   6.8990   1.2870   8.1730   1.6640   5.6240   1.9640 2.548000 2.574000 
1 1 1   -5    7   34 o   2.8590   0.9890   3.0320   1.4570   2.6860   1.3380 0.3462000 1.978000 
1 1 1   -5    7   35 o   4.6960   1.4580   5.3870   2.1960   4.0040   1.9180 1.383000 2.916000 
1 1 1   -5    7   36 o   3.1240   1.0570   2.7340   1.3520   3.5140   1.6240 -0.7800000 2.113000 
1 1 1   -5    7   37 o   2.1410   0.7704   2.2020   1.1170   2.0810   1.0610 0.1211000 1.541000 
1 1 1   -5    9    1 o   54.220   0.4106   53.430   0.5725   55.020   0.5886 -1.594000 0.8211000 
1 1 1   -5    9    2 o   50.900   0.3891   50.520   0.5462   51.280   0.5543 -0.7554000 0.7781000 
1 1 1   -5    9    3 o   52.800   0.4026   52.690   0.5672   52.910   0.5715 -0.2246000 0.8052000 
1 1 1   -5    9    4 o   54.240   0.3859   53.690   0.5780   54.790   0.5116 -1.102000 0.7719000 
1 1 1   -5    9    5 o   53.450   0.4088   53.170   0.5761   53.740   0.5802 -0.5680000 0.8176000 
1 1 1   -5    9    6 o   24.480   0.2854   24.420   0.4044   24.540   0.4027 -0.1123000 0.5707000 
1 1 1   -5    9    7 o   42.600   0.3448   42.860   0.4887   42.330   0.4867 0.5249000 0.6897000 
1 1 1   -5    9    8 o   39.620   0.2879   40.000   0.4084   39.250   0.4059 0.7502000 0.5758000 
1 1 1   -5    9    9 o   42.390   0.3018   42.580   0.4273   42.210   0.4263 0.3716000 0.6036000 
1 1 1   -5    9   10 o   22.650   0.2721   23.080   0.3783   22.230   0.3913 0.8464000 0.5443000 
1 1 1   -5    9   11 o   20.500   0.3132   20.640   0.4699   20.370   0.4140 0.2761000 0.6263000 
1 1 1   -5    9   12 o   54.070   0.3668   53.970   0.5168   54.170   0.5206 -0.2040000 0.7336000 
1 1 1   -5    9   13 o   25.200   0.3031   25.540   0.4174   24.860   0.4398 0.6823000 0.6063000 
1 1 1   -5    9   14 o   13.680   0.4642   13.060   0.6681   14.310   0.6447 -1.248000 0.9284000 
1 1 1   -5    9   15 o   44.300   0.3831   45.310   0.5340   43.290   0.5494 2.025000 0.7662000 
1 1 1   -5    9   16 o   21.380   0.4599   21.130   0.6509   21.630   0.6500 -0.5060000 0.9199000 
1 1 1   -5    9   17 o   32.150   0.4165   31.280   0.5111   33.020   0.6579 -1.743000 0.8331000 
1 1 1   -5    9   18 o   31.680   0.3722   31.410   0.5134   31.940   0.5389 -0.5279000 0.7443000 
1 1 1   -5    9   19 o   3.5910   1.1120   3.4860   1.5380   3.6970   1.6060 -0.2112000 2.224000 
1 1 1   -5    9   20 o   32.540   0.3422   32.660   0.4751   32.430   0.4926 0.2317000 0.6844000 
1 1 1   -5    9   21 o   34.960   0.3879   34.420   0.5254   35.490   0.5709 -1.078000 0.7758000 
1 1 1   -5    9   22 o   6.5440   1.4890   6.5890   2.0090   6.4990   2.1970 0.8975000E-01 2.977000 
1 1 1   -5    9   23 o   21.780   0.4349   21.920   0.6014   21.640   0.6285 0.2799000 0.8698000 
1 1 1   -5    9   24 o   15.630   0.4732   15.590   0.6339   15.660   0.7027 -0.7846000E-01 0.9464000 
1 1 1   -5    9   25 o   9.8790   0.7284   10.510   0.9186   9.2510   1.1310 1.255000 1.457000 
1 1 1   -5    9   26 o   13.560   0.5265   13.210   0.7168   13.910   0.7713 -0.6987000 1.053000 
1 1 1   -5    9   27 o   15.520   0.4923   16.000   0.6431   15.040   0.7456 0.9622000 0.9846000 
1 1 1   -5    9   28 o   17.950   0.4461   17.570   0.6336   18.320   0.6281 -0.7428000 0.8922000 
1 1 1   -5    9   29 o   8.3460   0.9482   9.2570   1.0800   7.4350   1.5590 1.822000 1.896000 
1 1 1   -5    9   30 o   5.3960   1.3640   5.6070   1.9140   5.1850   1.9430 0.4223000 2.727000 
1 1 1   -5    9   31 o   4.8050   1.2260   2.9440   1.4210   6.6650   1.9980 -3.721000 2.452000 
1 1 1   -5    9   32 o   3.3100   1.0920   3.4890   1.5900   3.1310   1.4980 0.3580000 2.184000 
1 1 1   -5    9   33 o   5.0580   1.3580   5.2230   1.9230   4.8940   1.9190 0.3285000 2.717000 
1 1 1   -5    9   34 o   4.9210   1.4090   5.5970   2.0720   4.2450   1.9100 1.352000 2.818000 
1 1 1   -5    9   35 o   5.6660   1.4750   5.4730   2.0610   5.8590   2.1120 -0.3865000 2.951000 
1 1 1   -5    9   36 o   2.5760   0.9082   2.5060   1.2540   2.6470   1.3150 -0.1408000 1.816000 
1 1 1   -5   11    1 o   57.370   0.3784   57.630   0.5373   57.120   0.5331 0.5089000 0.7569000 
1 1 1   -5   11    2 o   14.530   0.3429   14.470   0.4815   14.590   0.4884 -0.1221000 0.6858000 
1 1 1   -5   11    3 o   20.810   0.2954   21.090   0.3854   20.530   0.4477 0.5591000 0.5907000 
1 1 1   -5   11    4 o   39.110   0.2876   39.380   0.4070   38.840   0.4066 0.5398000 0.5753000 
1 1 1   -5   11    5 o   16.520   0.3218   16.250   0.4555   16.790   0.4547 -0.5397000 0.6436000 
1 1 1   -5   11    6 f   31.890   0.2690   32.090   0.3803   31.690   0.3804 0.3990000 0.5379000 
1 1 1   -5   11    7 o   15.050   0.3670   15.140   0.5205   14.960   0.5176 0.1760000 0.7340000 
1 1 1   -5   11    8 o   53.200   0.3615   53.280   0.5116   53.130   0.5107 0.1484000 0.7229000 
1 1 1   -5   11    9 o   76.710   0.5356   77.110   0.8129   76.310   0.6976 0.8020000 1.071000 
1 1 1   -5   11   10 o   52.290   0.3596   52.440   0.5092   52.140   0.5079 0.2907000 0.7192000 
1 1 1   -5   11   11 o   66.070   0.4360   66.030   0.6154   66.110   0.6178 -0.7934000E-01 0.8720000 
1 1 1   -5   11   12 o   46.930   0.3430   46.910   0.4830   46.950   0.4871 -0.4708000E-01 0.6860000 
1 1 1   -5   11   13 o   27.830   0.3573   28.470   0.4441   27.190   0.5598 1.280000 0.7146000 
1 1 1   -5   11   14 o   76.470   0.5802   76.330   0.8198   76.610   0.8214 -0.2839000 1.160000 
1 1 1   -5   11   15 o   14.860   0.6639   14.860   0.9367   14.870   0.9411 -0.1221000E-01 1.328000 
1 1 1   -5   11   16 o   17.040   0.6073   17.080   0.8484   17.010   0.8692 0.7047000E-01 1.215000 
1 1 1   -5   11   17 o   47.960   0.3933   47.690   0.5788   48.230   0.5326 -0.5316000 0.7866000 
1 1 1   -5   11   18 o   20.230   0.4305   20.580   0.5874   19.870   0.6294 0.7125000 0.8609000 
1 1 1   -5   11   19 o   38.020   0.3428   38.820   0.4832   37.230   0.4864 1.595000 0.6856000 
1 1 1   -5   11   20 o   35.590   0.3937   35.710   0.5370   35.480   0.5760 0.2293000 0.7875000 
1 1 1   -5   11   21 o   22.600   0.4520   23.560   0.5904   21.640   0.6846 1.920000 0.9041000 
1 1 1   -5   11   22 o   27.210   0.3946   27.360   0.5446   27.060   0.5711 0.2973000 0.7892000 
1 1 1   -5   11   23 o   16.640   0.4627   16.610   0.6181   16.670   0.6888 -0.5776000E-01 0.9254000 
1 1 1   -5   11   24 o   6.2310   1.0970   6.9150   1.4150   5.5470   1.6770 1.367000 2.194000 
1 1 1   -5   11   25 o   9.2450   0.7880   9.6600   1.0240   8.8300   1.1980 0.8301000 1.576000 
1 1 1   -5   11   26 o   6.8120   1.0660   7.2860   1.3850   6.3380   1.6200 0.9480000 2.132000 
1 1 1   -5   11   27 f   7.9870   0.9437   8.2920   1.2250   7.6820   1.4360 0.6104000 1.887000 
1 1 1   -5   11   28 o   8.0020   0.9890   6.9570   1.5070   9.0470   1.2810 -2.090000 1.978000 
1 1 1   -5   11   29 o   7.8810   1.2220   7.5990   1.7530   8.1630   1.7030 -0.5642000 2.444000 
1 1 1   -5   11   30 o   11.720   0.7960   11.420   1.0840   12.020   1.1660 -0.6044000 1.592000 
1 1 1   -5   11   31 o   8.7140   1.0820   9.6860   1.2850   7.7420   1.7420 1.945000 2.164000 
1 1 1   -5   11   32 o   8.3070   1.1570   8.2980   1.6040   8.3160   1.6670 -0.1777000E-01 2.314000 
1 1 1   -5   11   33 o   3.6240   1.2020   2.9210   1.4330   4.3280   1.9310 -1.408000 2.405000 
1 1 1   -5   11   34 o   3.2320   1.1250   3.6180   1.7270   2.8470   1.4410 0.7702000 2.250000 
1 1 1   -5   11   35 o   2.5870   0.9204   2.7700   1.3780   2.4050   1.2200 0.3652000 1.841000 
1 1 1   -5   11   36 o   2.0030   1.0310   2.0030   1.0310  ?   ?       ?      ? 
1 1 1   -5   13    1 o   47.800   0.3309   47.600   0.4671   47.990   0.4687 -0.3895000 0.6617000 
1 1 1   -5   13    2 o   14.480   0.3869   14.330   0.5550   14.630   0.5393 -0.3023000 0.7739000 
1 1 1   -5   13    3 f  113.900   0.7223  113.900   1.0220  113.800   1.0210 0.3088000E-01 1.445000 
1 1 1   -5   13    4 o  104.400   0.6638  104.000   0.9350  104.800   0.9423 -0.8135000 1.328000 
1 1 1   -5   13    5 o   47.210   0.3340   47.320   0.4711   47.090   0.4737 0.2310000 0.6681000 
1 1 1   -5   13    6 o   81.010   0.5228   80.370   0.7330   81.650   0.7456 -1.279000 1.046000 
1 1 1   -5   13    7 o   68.870   0.4530   69.250   0.6437   68.480   0.6376 0.7671000 0.9061000 
1 1 1   -5   13    8 o   31.870   0.3223   32.390   0.4769   31.360   0.4336 1.035000 0.6445000 
1 1 1   -5   13    9 o   46.180   0.3416   46.100   0.4809   46.260   0.4852 -0.1633000 0.6831000 
1 1 1   -5   13   10 o   9.7920   0.6973   9.9020   0.9593   9.6820   1.0120 0.2204000 1.395000 
1 1 1   -5   13   11 o   99.350   0.6364   98.960   0.8965   99.730   0.9036 -0.7708000 1.273000 
1 1 1   -5   13   12 o   14.590   0.6836   13.670   0.9560   15.510   0.9773 -1.840000 1.367000 
1 1 1   -5   13   13 o   70.870   0.5495   70.660   0.7754   71.080   0.7788 -0.4181000 1.099000 
1 1 1   -5   13   14 o   34.820   0.3859   34.620   0.5392   35.010   0.5523 -0.3849000 0.7718000 
1 1 1   -5   13   15 o   40.750   0.4388   41.160   0.5560   40.340   0.6790 0.8143000 0.8776000 
1 1 1   -5   13   16 o   75.630   0.5040   75.560   0.7109   75.700   0.7148 -0.1378000 1.008000 
1 1 1   -5   13   17 o   16.460   0.5482   17.480   0.6911   15.450   0.8510 2.030000 1.096000 
1 1 1   -5   13   18 o   23.190   0.4022   22.840   0.5488   23.550   0.5883 -0.7054000 0.8045000 
1 1 1   -5   13   19 o   13.550   0.7018   12.860   0.9299   14.230   1.0510 -1.361000 1.404000 
1 1 1   -5   13   20 o   45.360   0.4140   45.630   0.5861   45.090   0.5850 0.5403000 0.8281000 
1 1 1   -5   13   21 o   22.210   0.4486   21.890   0.6336   22.520   0.6352 -0.6277000 0.8972000 
1 1 1   -5   13   22 o   22.210   0.3797   22.390   0.5146   22.030   0.5583 0.3636000 0.7593000 
1 1 1   -5   13   23 o   16.730   0.4633   16.680   0.6152   16.790   0.6929 -0.1031000 0.9266000 
1 1 1   -5   13   24 o   4.5620   1.1440   5.4140   1.6370   3.7100   1.5970 1.704000 2.287000 
1 1 1   -5   13   25 o   3.7700   1.0890   2.6980   1.2830   4.8420   1.7590 -2.144000 2.177000 
1 1 1   -5   13   26 o   9.7640   0.8483   11.460   0.8994   8.0660   1.4390 3.396000 1.697000 
1 1 1   -5   13   27 o   8.0690   1.0050   8.9690   1.1830   7.1680   1.6250 1.802000 2.010000 
1 1 1   -5   13   28 o   7.4650   1.2900   7.3870   1.8390   7.5440   1.8090 -0.1576000 2.580000 
1 1 1   -5   13   29 o   9.7610   1.0240   11.550   1.0380   7.9680   1.7660 3.585000 2.049000 
1 1 1   -5   13   30 o   7.5160   1.3110   6.6250   1.8530   8.4060   1.8560 -1.781000 2.623000 
1 1 1   -5   13   31 o   6.6370   1.2470   4.8180   1.8610   8.4560   1.6590 -3.638000 2.493000 
1 1 1   -5   13   32 o   3.9630   1.2350   3.6950   1.6720   4.2300   1.8180 -0.5349000 2.470000 
1 1 1   -5   13   33 o   3.6220   1.2020   3.0340   1.4850   4.2090   1.8910 -1.175000 2.405000 
1 1 1   -5   13   34 o   2.7020   0.9581   2.1900   1.1200   3.2130   1.5550 -1.022000 1.916000 
1 1 1   -5   13   35 o   2.4340   0.8637   2.1550   1.0970   2.7120   1.3340 -0.5574000 1.727000 
1 1 1   -5   15    1 o   59.360   0.3994   59.610   0.5665   59.100   0.5631 0.5098000 0.7988000 
1 1 1   -5   15    2 o   83.330   0.5370   83.600   0.7616   83.060   0.7574 0.5440000 1.074000 
1 1 1   -5   15    3 o   46.360   0.3384   46.520   0.4793   46.210   0.4779 0.3053000 0.6769000 
1 1 1   -5   15    4 o   36.590   0.3098   36.720   0.4337   36.460   0.4424 0.2542000 0.6195000 
1 1 1   -5   15    5 o   39.850   0.3194   39.800   0.4456   39.900   0.4577 -0.1042000 0.6388000 
1 1 1   -5   15    6 o   28.960   0.3166   28.520   0.4390   29.390   0.4563 -0.8653000 0.6332000 
1 1 1   -5   15    7 o   35.710   0.3172   35.450   0.4382   35.960   0.4588 -0.5089000 0.6344000 
1 1 1   -5   15    8 o   32.540   0.3249   32.730   0.4453   32.360   0.4733 0.3743000 0.6499000 
1 1 1   -5   15    9 o   33.640   0.4567   33.620   0.5629   33.660   0.7194 -0.3280000E-01 0.9134000 
1 1 1   -5   15   10 o   22.300   0.5051   21.520   0.7355   23.080   0.6924 -1.563000 1.010000 
1 1 1   -5   15   11 o   91.500   0.5940   91.290   0.8378   91.720   0.8422 -0.4370000 1.188000 
1 1 1   -5   15   12 o   31.250   0.3979   31.530   0.5453   30.960   0.5798 0.5729000 0.7959000 
1 1 1   -5   15   13 o   44.410   0.4099   44.550   0.5730   44.270   0.5862 0.2791000 0.8197000 
1 1 1   -5   15   14 f   26.790   0.3894   26.780   0.5399   26.800   0.5614 -0.2045000E-01 0.7789000 
1 1 1   -5   15   15 o   58.320   0.4169   58.230   0.5894   58.400   0.5899 -0.1697000 0.8339000 
1 1 1   -5   15   16 o   4.6580   1.2640   4.4170   1.7260   4.9000   1.8470 -0.4831000 2.528000 
1 1 1   -5   15   17 o   5.5800   1.3540   6.3290   1.8690   4.8310   1.9590 1.498000 2.708000 
1 1 1   -5   15   18 o   28.520   0.4187   28.620   0.5501   28.420   0.6315 0.1992000 0.8375000 
1 1 1   -5   15   19 o   14.420   0.6260   13.860   0.8739   14.990   0.8965 -1.126000 1.252000 
1 1 1   -5   15   20 o   20.630   0.4727   20.630   0.6333   20.640   0.7020 -0.1109000E-01 0.9454000 
1 1 1   -5   15   21 o   15.640   0.4941   15.540   0.6679   15.740   0.7283 -0.2071000 0.9882000 
1 1 1   -5   15   22 o   11.860   0.6302   11.460   0.8760   12.270   0.9061 -0.8102000 1.260000 
1 1 1   -5   15   23 o   19.600   0.4197   19.450   0.5677   19.740   0.6183 -0.2839000 0.8394000 
1 1 1   -5   15   24 o   15.610   0.5008   15.250   0.6981   15.970   0.7183 -0.7168000 1.002000 
1 1 1   -5   15   25 o   10.360   0.7843   11.490   0.9092   9.2220   1.2780 2.272000 1.569000 
1 1 1   -5   15   26 o   7.2060   1.1210   8.3780   1.3080   6.0350   1.8210 2.343000 2.242000 
1 1 1   -5   15   27 o   9.5500   1.1040   7.8190   1.7970   11.280   1.2840 -3.462000 2.208000 
1 1 1   -5   15   28 o   5.7900   1.3460   6.0060   1.8430   5.5740   1.9620 0.4318000 2.692000 
1 1 1   -5   15   29 o   7.6510   1.2850   7.7920   1.6700   7.5100   1.9540 0.2820000 2.571000 
1 1 1   -5   15   30 o   5.4210   1.3490   5.6970   1.8530   5.1450   1.9600 0.5520000 2.698000 
1 1 1   -5   15   31 o   4.4680   1.3540   4.0100   1.7420   4.9270   2.0720 -0.9173000 2.707000 
1 1 1   -5   15   32 o   4.5540   1.3750   4.5390   1.9030   4.5680   1.9840 -0.2901000E-01 2.749000 
1 1 1   -5   15   33 f   2.8050   0.9867   2.5040   1.2640   3.1060   1.5160 -0.6018000 1.973000 
1 1 1   -5   15   34 o   3.2360   1.0770   3.2110   1.5130   3.2610   1.5330 -0.4999000E-01 2.153000 
1 1 1   -5   17    1 o   50.610   0.4693   52.090   0.6099   49.140   0.7135 2.949000 0.9387000 
1 1 1   -5   17    2 o   18.320   0.5116   17.660   0.7515   18.970   0.6945 -1.305000 1.023000 
1 1 1   -5   17    3 o   47.550   0.4106   47.370   0.5806   47.740   0.5808 -0.3758000 0.8213000 
1 1 1   -5   17    4 o   19.790   0.5798   20.650   0.6972   18.930   0.9265 1.712000 1.160000 
1 1 1   -5   17    5 o   82.160   0.6214   82.010   0.8756   82.310   0.8819 -0.3014000 1.243000 
1 1 1   -5   17    6 o   17.580   0.6005   17.550   0.8318   17.620   0.8663 -0.6455000E-01 1.201000 
1 1 1   -5   17    7 f   20.380   0.4579   20.380   0.6382   20.380   0.6569 0.6767000E-02 0.9159000 
1 1 1   -5   17    8 o   65.300   0.5140   64.910   0.7207   65.680   0.7331 -0.7743000 1.028000 
1 1 1   -5   17    9 o   35.320   0.4033   35.630   0.5604   35.020   0.5802 0.6103000 0.8067000 
1 1 1   -5   17   10 o   14.650   0.6948   15.220   0.9115   14.080   1.0490 1.143000 1.390000 
1 1 1   -5   17   11 f   23.960   0.4305   23.650   0.5976   24.280   0.6199 -0.6263000 0.8610000 
1 1 1   -5   17   12 f   29.770   0.3833   29.180   0.5311   30.360   0.5529 -1.172000 0.7667000 
1 1 1   -5   17   13 o   31.160   0.3752   31.100   0.5080   31.230   0.5522 -0.1354000 0.7503000 
1 1 1   -5   17   14 o   12.590   0.7108   12.820   0.9199   12.350   1.0840 0.4684000 1.422000 
1 1 1   -5   17   15 o   27.100   0.4406   26.920   0.5902   27.280   0.6544 -0.3604000 0.8812000 
1 1 1   -5   17   16 f   7.7520   1.1500   9.4890   1.3360   6.0150   1.8730 3.474000 2.301000 
1 1 1   -5   17   17 o   19.980   0.5255   20.140   0.7482   19.820   0.7382 0.3172000 1.051000 
1 1 1   -5   17   18 f   22.290   0.4397   22.400   0.6061   22.190   0.6371 0.2070000 0.8793000 
1 1 1   -5   17   19 o   27.100   0.3540   27.340   0.4871   26.860   0.5139 0.4851000 0.7081000 
1 1 1   -5   17   20 o   13.230   0.5859   13.790   0.7624   12.670   0.8900 1.120000 1.172000 
1 1 1   -5   17   21 o   19.680   0.4203   19.780   0.5754   19.570   0.6127 0.2174000 0.8405000 
1 1 1   -5   17   22 o   18.800   0.4424   18.790   0.5996   18.810   0.6505 -0.1506000E-01 0.8847000 
1 1 1   -5   17   23 o   7.9150   1.0100   7.5110   1.4070   8.3180   1.4490 -0.8062000 2.019000 
1 1 1   -5   17   24 o   8.9650   0.9682   10.230   1.0440   7.7010   1.6310 2.528000 1.936000 
1 1 1   -5   17   25 o   3.9210   1.2330   3.6950   1.6920   4.1480   1.7950 -0.4533000 2.467000 
1 1 1   -5   17   26 o   19.760   0.5605   19.390   0.7998   20.130   0.7855 -0.7400000 1.121000 
1 1 1   -5   17   27 o   13.840   0.7003   13.460   0.9770   14.220   1.0040 -0.7572000 1.401000 
1 1 1   -5   17   28 o   7.8950   1.2320   9.0850   1.4450   6.7040   1.9960 2.381000 2.464000 
1 1 1   -5   17   29 o   4.4730   1.2930   3.7240   1.6670   5.2220   1.9780 -1.498000 2.587000 
1 1 1   -5   17   30 o   5.4400   1.3360   7.0260   1.9760   3.8540   1.7990 3.172000 2.672000 
1 1 1   -5   17   31 o   2.7560   0.9731   3.0900   1.5050   2.4220   1.2340 0.6680000 1.946000 
1 1 1   -5   17   32 o   8.1910   1.3630   7.2110   1.9970   9.1710   1.8550 -1.960000 2.725000 
1 1 1   -5   17   33 o   2.1080   0.7595   2.1300   1.0840   2.0860   1.0650 0.4358000E-01 1.519000 
1 1 1   -5   19    1 o   41.900   0.4104   41.640   0.5833   42.160   0.5774 -0.5238000 0.8208000 
1 1 1   -5   19    2 o   45.830   0.4207   45.710   0.5974   45.950   0.5926 -0.2403000 0.8414000 
1 1 1   -5   19    3 o   29.180   0.4258   29.410   0.6057   28.950   0.5985 0.4514000 0.8515000 
1 1 1   -5   19    4 o   42.020   0.4131   41.550   0.5819   42.490   0.5864 -0.9344000 0.8261000 
1 1 1   -5   19    5 o   10.030   1.0970   10.390   1.4290   9.6720   1.6650 0.7227000 2.194000 
1 1 1   -5   19    6 o   17.720   0.5520   17.490   0.7651   17.950   0.7959 -0.4519000 1.104000 
1 1 1   -5   19    7 o   38.760   0.3607   38.750   0.5007   38.780   0.5193 -0.3097000E-01 0.7214000 
1 1 1   -5   19    8 o   26.260   0.4284   26.180   0.5461   26.340   0.6601 -0.1580000 0.8567000 
1 1 1   -5   19    9 o   38.880   0.3584   38.550   0.4909   39.210   0.5225 -0.6588000 0.7169000 
1 1 1   -5   19   10 o   18.700   0.5000   18.950   0.6641   18.450   0.7478 0.5028000 1.000000 
1 1 1   -5   19   11 o   16.240   0.6522   17.220   0.7540   15.270   1.0640 1.946000 1.304000 
1 1 1   -5   19   12 o   39.970   0.4169   39.980   0.5739   39.970   0.6048 0.1647000E-01 0.8338000 
1 1 1   -5   19   13 o   35.830   0.4135   36.050   0.5631   35.610   0.6057 0.4391000 0.8270000 
1 1 1   -5   19   14 o   11.920   0.7355   11.180   1.0470   12.660   1.0330 -1.481000 1.471000 
1 1 1   -5   19   15 o   25.020   0.4447   24.590   0.6190   25.450   0.6388 -0.8594000 0.8895000 
1 1 1   -5   19   16 o   21.370   0.4683   21.330   0.6415   21.410   0.6825 -0.8087000E-01 0.9367000 
1 1 1   -5   19   17 o   10.030   0.7991   10.220   1.0080   9.8260   1.2400 0.3990000 1.598000 
1 1 1   -5   19   18 o   5.5270   1.2260   5.6460   1.6740   5.4080   1.7910 0.2384000 2.452000 
1 1 1   -5   19   19 o   17.240   0.4908   18.430   0.6294   16.040   0.7534 2.399000 0.9817000 
1 1 1   -5   19   20 o   21.080   0.4164   21.320   0.5584   20.840   0.6179 0.4736000 0.8328000 
1 1 1   -5   19   21 o   4.7730   1.1880   3.6590   1.5830   5.8870   1.7730 -2.228000 2.377000 
1 1 1   -5   19   22 o   18.420   0.4670   18.150   0.6471   18.700   0.6735 -0.5442000 0.9340000 
1 1 1   -5   19   23 f   11.230   0.7548   11.390   1.0240   11.080   1.1100 0.3133000 1.510000 
1 1 1   -5   19   24 o   13.230   0.8512   13.590   1.1630   12.870   1.2430 0.7163000 1.702000 
1 1 1   -5   19   25 o   3.9420   1.1960   3.6180   1.5900   4.2660   1.7860 -0.6482000 2.391000 
1 1 1   -5   19   26 o   12.040   0.8526   11.350   1.1940   12.730   1.2180 -1.385000 1.705000 
1 1 1   -5   19   27 o   4.8140   1.3220   4.9550   1.8610   4.6730   1.8800 0.2824000 2.645000 
1 1 1   -5   19   28 o   7.8170   1.2310   9.5510   1.4290   6.0830   2.0040 3.468000 2.462000 
1 1 1   -5   19   29 o   7.4120   1.3450   9.2820   1.6490   5.5420   2.1250 3.740000 2.690000 
1 1 1   -5   19   30 o   4.5950   1.3170   4.7610   1.8620   4.4280   1.8640 0.3332000 2.634000 
1 1 1   -5   19   31 o   2.9400   1.0260   2.7570   1.3700   3.1240   1.5280 -0.3668000 2.052000 
1 1 1   -5   19   32 o   2.0610   0.7578   2.0400   1.0610   2.0820   1.0820 -0.4167000E-01 1.516000 
1 1 1   -5   21    1 o   13.720   0.6419   13.500   0.9033   13.940   0.9122 -0.4411000 1.284000 
1 1 1   -5   21    2 o   37.050   0.3480   36.940   0.4880   37.160   0.4962 -0.2216000 0.6960000 
1 1 1   -5   21    3 o   22.760   0.4159   23.220   0.5713   22.300   0.6046 0.9219000 0.8318000 
1 1 1   -5   21    4 o   7.2420   1.1680   5.9020   1.8100   8.5810   1.4750 -2.679000 2.335000 
1 1 1   -5   21    5 o   12.610   0.7160   12.270   0.9693   12.950   1.0540 -0.6777000 1.432000 
1 1 1   -5   21    6 f   16.250   0.6538   16.860   0.8066   15.630   1.0290 1.231000 1.308000 
1 1 1   -5   21    7 o   53.050   0.4527   52.380   0.6210   53.720   0.6589 -1.346000 0.9054000 
1 1 1   -5   21    8 o   29.280   0.4265   29.420   0.5619   29.130   0.6419 0.2920000 0.8531000 
1 1 1   -5   21    9 o   16.380   0.6076   16.720   0.7680   16.050   0.9417 0.6720000 1.215000 
1 1 1   -5   21   10 o   14.840   0.5738   14.390   0.7732   15.300   0.8480 -0.9171000 1.148000 
1 1 1   -5   21   11 o   16.230   0.5984   15.780   0.8297   16.680   0.8624 -0.8999000 1.197000 
1 1 1   -5   21   12 o   27.820   0.4081   27.700   0.5604   27.940   0.5935 -0.2470000 0.8162000 
1 1 1   -5   21   13 o   15.620   0.6587   15.790   0.9730   15.460   0.8882 0.3219000 1.317000 
1 1 1   -5   21   14 o   15.400   0.5568   15.560   0.7302   15.250   0.8407 0.3087000 1.114000 
1 1 1   -5   21   15 o   5.0850   1.1970   6.1710   1.6990   4.0000   1.6880 2.172000 2.395000 
1 1 1   -5   21   16 o   14.210   0.5832   14.380   0.7841   14.050   0.8636 0.3283000 1.166000 
1 1 1   -5   21   17 o   4.2470   1.1610   5.0240   1.7230   3.4690   1.5570 1.555000 2.322000 
1 1 1   -5   21   18 o   18.400   0.4751   18.850   0.6453   17.950   0.6974 0.9050000 0.9502000 
1 1 1   -5   21   19 o   19.740   0.4568   19.070   0.6500   20.400   0.6419 -1.332000 0.9136000 
1 1 1   -5   21   20 o   14.840   0.5848   14.270   0.8217   15.400   0.8324 -1.131000 1.170000 
1 1 1   -5   21   21 o   18.310   0.4977   18.470   0.6693   18.160   0.7367 0.3134000 0.9954000 
1 1 1   -5   21   22 o   6.6280   1.4700   6.3180   2.1130   6.9390   2.0430 -0.6211000 2.939000 
1 1 1   -5   21   23 o   7.5900   1.1860   8.7450   1.4340   6.4350   1.8900 2.309000 2.372000 
1 1 1   -5   21   24 o   7.9050   1.3160   8.2160   1.7320   7.5940   1.9810 0.6226000 2.632000 
1 1 1   -5   21   25 o   7.0170   1.4230   6.8760   1.9440   7.1570   2.0800 -0.2814000 2.847000 
1 1 1   -5   21   26 o   3.6280   1.1650   3.5250   1.6120   3.7300   1.6830 -0.2052000 2.330000 
1 1 1   -5   21   27 o   4.3630   1.3390   4.3180   1.8610   4.4080   1.9260 -0.8986000E-01 2.678000 
1 1 1   -5   21   28 o   4.1020   1.2160   5.5670   2.0400   2.6380   1.3260 2.929000 2.433000 
1 1 1   -5   21   29 o   2.9150   1.0210   3.0890   1.5090   2.7420   1.3750 0.3473000 2.042000 
1 1 1   -5   21   30 o   2.8170   0.9954   2.8970   1.4470   2.7380   1.3670 0.1591000 1.991000 
1 1 1   -5   23    1 o   28.920   0.4019   28.850   0.5499   28.990   0.5862 -0.1415000 0.8037000 
1 1 1   -5   23    2 o   10.410   0.9004   10.180   1.2290   10.650   1.3160 -0.4673000 1.801000 
1 1 1   -5   23    3 o   30.170   0.4037   30.020   0.5574   30.310   0.5840 -0.2939000 0.8073000 
1 1 1   -5   23    4 o   29.210   0.4093   29.480   0.5611   28.940   0.5961 0.5465000 0.8186000 
1 1 1   -5   23    5 o   20.450   0.4953   20.430   0.6745   20.470   0.7257 -0.4236000E-01 0.9907000 
1 1 1   -5   23    6 o   21.280   0.4839   20.320   0.6743   22.230   0.6942 -1.910000 0.9678000 
1 1 1   -5   23    7 o   5.4120   1.2630   6.7860   1.8090   4.0370   1.7620 2.749000 2.526000 
1 1 1   -5   23    8 o   5.1620   1.2800   6.0590   1.8240   4.2660   1.7970 1.793000 2.561000 
1 1 1   -5   23    9 o   16.240   0.5144   16.720   0.6606   15.770   0.7886 0.9414000 1.029000 
1 1 1   -5   23   10 o   10.950   0.7636   12.320   0.8527   9.5730   1.2670 2.745000 1.527000 
1 1 1   -5   23   11 o   9.0670   0.8935   9.0460   1.1580   9.0880   1.3610 -0.4158000E-01 1.787000 
1 1 1   -5   23   12 o   13.290   0.6145   13.090   0.8124   13.490   0.9223 -0.3938000 1.229000 
1 1 1   -5   23   13 o   7.7140   1.0700   7.6850   1.4110   7.7440   1.6090 -0.5952000E-01 2.140000 
1 1 1   -5   23   14 o   12.100   0.6715   11.720   0.9156   12.470   0.9824 -0.7441000 1.343000 
1 1 1   -5   23   15 o   19.780   0.4628   19.630   0.6358   19.920   0.6728 -0.2915000 0.9256000 
1 1 1   -5   23   16 f   16.910   0.5297   16.440   0.7430   17.390   0.7551 -0.9569000 1.059000 
1 1 1   -5   23   17 o   17.420   0.5265   17.200   0.7177   17.630   0.7706 -0.4336000 1.053000 
1 1 1   -5   23   18 o   13.960   0.6474   13.010   0.9289   14.900   0.9019 -1.888000 1.295000 
1 1 1   -5   23   19 o   7.3640   1.4200   8.6480   1.8740   6.0800   2.1330 2.568000 2.839000 
1 1 1   -5   23   20 o   5.6080   1.4760   5.4870   2.0830   5.7290   2.0920 -0.2415000 2.952000 
1 1 1   -5   23   21 o   3.6360   1.1340   4.3540   1.7730   2.9170   1.4150 1.437000 2.268000 
1 1 1   -5   23   22 o   6.7550   1.3670   7.9200   1.8060   5.5900   2.0520 2.329000 2.733000 
1 1 1   -5   23   23 o   4.0950   1.2720   3.2150   1.5380   4.9740   2.0250 -1.759000 2.543000 
1 1 1   -5   23   24 o   3.6660   1.1790   3.9660   1.7370   3.3650   1.5960 0.6006000 2.359000 
1 1 1   -5   23   25 o   5.5280   1.5980   5.9380   2.4370   5.1180   2.0680 0.8204000 3.196000 
1 1 1   -5   23   26 o   5.1720   1.5040   4.6230   2.1460   5.7210   2.1090 -1.097000 3.009000 
1 1 1   -5   23   27 o   4.6850   1.3270   3.7330   1.7570   5.6370   1.9900 -1.904000 2.654000 
1 1 1   -5   23   28 o   2.3470   0.8522   2.7590   1.3810   1.9360   0.9985 0.8228000 1.704000 
1 1 1   -5   25    1 o   15.070   0.5209   14.940   0.7322   15.190   0.7412 -0.2457000 1.042000 
1 1 1   -5   25    2 o   23.210   0.3766   22.760   0.5306   23.660   0.5347 -0.8954000 0.7533000 
1 1 1   -5   25    3 o   23.420   0.3800   24.080   0.5263   22.760   0.5482 1.317000 0.7599000 
1 1 1   -5   25    4 o   17.880   0.5030   18.110   0.6304   17.660   0.7838 0.4478000 1.006000 
1 1 1   -5   25    5 o   24.700   0.3864   25.150   0.5184   24.240   0.5733 0.9151000 0.7729000 
1 1 1   -5   25    6 f   19.770   0.4446   20.000   0.5904   19.530   0.6648 0.4658000 0.8891000 
1 1 1   -5   25    7 o   13.210   0.6309   13.130   0.8502   13.280   0.9323 -0.1479000 1.262000 
1 1 1   -5   25    8 o   12.160   0.6741   11.560   0.9340   12.770   0.9723 -1.217000 1.348000 
1 1 1   -5   25    9 o   9.7410   0.8373   9.8620   1.0940   9.6200   1.2680 0.2416000 1.675000 
1 1 1   -5   25   10 o   15.260   0.5408   14.960   0.7213   15.570   0.8061 -0.6194000 1.082000 
1 1 1   -5   25   11 o   20.600   0.4390   20.530   0.5796   20.670   0.6596 -0.1367000 0.8780000 
1 1 1   -5   25   12 o   7.0200   1.1780   7.2340   1.5070   6.8070   1.8120 0.4266000 2.356000 
1 1 1   -5   25   13 o   5.4930   1.2650   5.7900   1.7180   5.1960   1.8580 0.5935000 2.531000 
1 1 1   -5   25   14 o   4.4910   1.2230   5.0760   1.7590   3.9070   1.6990 1.169000 2.445000 
1 1 1   -5   25   15 o   12.030   0.7408   12.100   0.9603   11.960   1.1280 0.1390000 1.482000 
1 1 1   -5   25   16 o   8.5270   1.2580   10.560   1.3780   6.4920   2.1040 4.070000 2.516000 
1 1 1   -5   25   17 o   4.6720   1.3960   4.2450   1.8810   5.0990   2.0630 -0.8536000 2.792000 
1 1 1   -5   25   18 o   11.740   0.8130   11.630   1.1220   11.840   1.1770 -0.2087000 1.626000 
1 1 1   -5   25   19 o   9.5810   1.1530   11.520   1.1960   7.6450   1.9720 3.873000 2.306000 
1 1 1   -5   25   20 o   4.9850   1.4350   4.3570   1.9590   5.6140   2.0980 -1.257000 2.870000 
1 1 1   -5   25   21 o   3.9850   1.2880   4.3570   1.9520   3.6130   1.6800 0.7445000 2.576000 
1 1 1   -5   25   22 o   4.5130   1.2710   3.1500   1.5540   5.8750   2.0110 -2.725000 2.541000 
1 1 1   -5   25   23 o   4.6680   1.4270   4.1060   1.9510   5.2300   2.0810 -1.124000 2.853000 
1 1 1   -5   25   24 o   3.0290   1.0630   2.8140   1.4340   3.2440   1.5690 -0.4294000 2.125000 
1 1 1   -5   25   25 o   3.2920   1.0970   2.7810   1.3640   3.8030   1.7170 -1.022000 2.193000 
1 1 1   -5   25   26 o   4.2250   1.3070   4.7580   1.9660   3.6910   1.7230 1.067000 2.614000 
1 1 1   -5   27    1 o   15.850   0.5204   15.530   0.7467   16.180   0.7250 -0.6469000 1.041000 
1 1 1   -5   27    2 o   10.150   0.7929   9.4390   1.1900   10.870   1.0480 -1.429000 1.586000 
1 1 1   -5   27    3 o   11.790   0.6876   12.000   0.9445   11.570   0.9996 0.4262000 1.375000 
1 1 1   -5   27    4 o   11.890   0.7373   11.760   0.9503   12.020   1.1270 -0.2625000 1.475000 
1 1 1   -5   27    5 o   22.880   0.4175   22.980   0.5659   22.780   0.6139 0.1961000 0.8350000 
1 1 1   -5   27    6 o   19.060   0.4801   19.630   0.6281   18.490   0.7262 1.137000 0.9601000 
1 1 1   -5   27    7 o   11.150   0.7842   11.900   0.9789   10.400   1.2250 1.495000 1.568000 
1 1 1   -5   27    8 o   8.7320   0.9906   9.1630   1.2720   8.3010   1.5190 0.8624000 1.981000 
1 1 1   -5   27    9 o   12.990   0.6743   13.050   0.9037   12.940   1.0010 0.1090000 1.349000 
1 1 1   -5   27   10 o   14.550   0.6008   14.720   0.7925   14.390   0.9033 0.3292000 1.202000 
1 1 1   -5   27   11 o   7.5170   1.1630   8.3250   1.4150   6.7080   1.8450 1.617000 2.325000 
1 1 1   -5   27   12 o   12.170   0.9187   11.280   1.3380   13.050   1.2590 -1.772000 1.837000 
1 1 1   -5   27   13 o   14.960   0.8637   14.860   1.3330   15.060   1.0990 -0.1960000 1.727000 
1 1 1   -5   27   14 o   10.130   1.5790   9.4970   2.7870   10.760   1.4840 -1.263000 3.157000 
1 1 1   -5   27   15 o   7.1330   1.4020   8.4170   2.0500   5.8490   1.9120 2.569000 2.803000 
1 1 1   -5   27   16 o   4.0660   1.2680   3.2140   1.5750   4.9190   1.9880 -1.705000 2.536000 
1 1 1   -5   27   17 o   5.5550   1.4480   6.9870   2.2380   4.1230   1.8380 2.864000 2.896000 
1 1 1   -5   27   18 o   5.1410   1.4530   5.5530   2.1760   4.7280   1.9270 0.8253000 2.907000 
1 1 1   -5   27   19 o   3.4440   1.1450   3.5280   1.6480   3.3610   1.5890 0.1667000 2.289000 
1 1 1   -5   27   20 o   3.9000   1.2500   3.7940   1.7130   4.0060   1.8220 -0.2123000 2.500000 
1 1 1   -5   27   21 o   5.7660   1.2830   7.8850   1.9130   3.6470   1.7100 4.238000 2.566000 
1 1 1   -5   27   22 o   4.3430   1.2630   5.0030   1.8910   3.6830   1.6750 1.320000 2.526000 
1 1 1   -5   27   23 o   3.0750   1.0580   2.7460   1.3500   3.4040   1.6290 -0.6577000 2.116000 
1 1 1   -5   27   24 o   2.4390   0.8741   2.3150   1.1760   2.5640   1.2940 -0.2496000 1.748000 
1 1 1   -5   29    1 o   16.000   0.5867   15.550   0.7812   16.460   0.8755 -0.9119000 1.173000 
1 1 1   -5   29    2 o   9.5120   0.8891   9.2650   1.2830   9.7590   1.2320 -0.4945000 1.778000 
1 1 1   -5   29    3 f   8.7850   1.0060   9.5750   1.2700   7.9950   1.5600 1.580000 2.012000 
1 1 1   -5   29    4 o   8.1820   1.2720   8.2860   1.7350   8.0780   1.8620 0.2082000 2.544000 
1 1 1   -5   29    5 o   7.2830   1.2790   9.2990   1.5920   5.2660   2.0030 4.033000 2.559000 
1 1 1   -5   29    6 f   4.3290   1.3580   5.1680   2.1580   3.4900   1.6500 1.678000 2.716000 
1 1 1   -5   29    7 o   5.8260   1.5760   5.1130   2.3580   6.5400   2.0920 -1.427000 3.153000 
1 1 1   -5   29    8 o   19.040   0.9437   17.830   1.6980   20.260   0.8242 -2.430000 1.887000 
1 1 1   -5   29    9 o   15.680   1.3580   12.920   2.5570   18.440   0.9156 -5.523000 2.716000 
1 1 1   -5   29   10 o   13.460   0.8567   14.060   1.3180   12.850   1.0950 1.203000 1.713000 
1 1 1   -5   29   11 o   13.030   0.9198   13.970   1.3160   12.100   1.2850 1.870000 1.840000 
1 1 1   -5   29   12 o   4.2170   1.3140   3.7510   1.7750   4.6830   1.9400 -0.9321000 2.629000 
1 1 1   -5   29   13 o   3.9040   1.2500   3.9790   1.7890   3.8290   1.7470 0.1506000 2.500000 
1 1 1   -5   29   14 o   8.3770   1.2850   10.540   1.4640   6.2170   2.1120 4.321000 2.570000 
1 1 1   -5   29   15 o   5.6840   1.2120   7.6360   1.7270   3.7320   1.7010 3.904000 2.424000 
1 1 1   -5   29   16 o   7.7160   1.2560   8.9010   1.5130   6.5310   2.0050 2.370000 2.511000 
1 1 1   -5   29   17 f   6.7740   1.4710   6.5220   2.0560   7.0270   2.1040 -0.5049000 2.942000 
1 1 1   -5   29   18 o   3.0420   1.0510   2.6850   1.3390   3.3990   1.6210 -0.7137000 2.103000 
1 1 1   -5   29   19 o   3.3610   1.0920   4.0540   1.7380   2.6690   1.3230 1.384000 2.185000 
1 1 1   -5   29   20 o   8.2020   1.1540   10.060   1.2930   6.3470   1.9120 3.709000 2.308000 
1 1 1   -5   29   21 o   2.5280   0.8980   2.6950   1.3360   2.3600   1.2000 0.3344000 1.796000 
1 1 1   -5   31    1 o   9.0950   1.3360   10.890   1.7920   7.3030   1.9830 3.583000 2.672000 
1 1 1   -5   31    2 o   4.2010   1.3100   3.6780   1.7560   4.7240   1.9460 -1.046000 2.621000 
1 1 1   -5   31    3 o   4.1020   1.2970   3.7480   1.7790   4.4560   1.8880 -0.7080000 2.594000 
1 1 1   -5   31    4 o   8.3470   1.4340   10.270   1.9610   6.4290   2.0920 3.838000 2.867000 
1 1 1   -5   31    5 o   5.6160   1.4710   5.2430   2.0580   5.9890   2.1030 -0.7461000 2.942000 
1 1 1   -5   31    6 o   6.1290   1.4770   5.9570   2.0720   6.3020   2.1060 -0.3449000 2.955000 
1 1 1   -5   31    7 o   6.0180   1.4700   5.1700   2.0080   6.8660   2.1480 -1.696000 2.940000 
1 1 1   -5   31    8 o   13.650   0.7204   13.720   0.9854   13.580   1.0510 0.1354000 1.441000 
1 1 1   -5   31    9 o   6.5760   1.3270   6.3810   1.8690   6.7720   1.8830 -0.3912000 2.653000 
1 1 1   -5   31   10 f   5.6440   1.3250   4.5690   1.8290   6.7200   1.9170 -2.151000 2.649000 
1 1 1   -5   31   11 o   4.1580   1.2520   4.3260   1.7920   3.9910   1.7490 0.3352000 2.504000 
1 1 1   -5   31   12 o   6.1540   1.3610   6.4150   1.8480   5.8940   1.9980 0.5213000 2.721000 
1 1 1   -5   31   13 o   4.6700   1.3690   4.3520   1.8470   4.9880   2.0200 -0.6367000 2.737000 
1 1 1   -5   31   14 o   3.1370   1.0700   3.4380   1.6150   2.8360   1.4050 0.6022000 2.140000 
1 1 1   -5   31   15 o   2.7590   0.9576   3.0420   1.4580   2.4760   1.2410 0.5665000 1.915000 
1 1 1   -5   31   16 o   3.1980   1.0680   3.1090   1.4780   3.2870   1.5430 -0.1777000 2.137000 
1 1 1   -5   31   17 o   2.8310   1.0010   2.9560   1.4810   2.7050   1.3480 0.2516000 2.002000 
1 1 1   -5   31   18 o   1.9150   0.7051   1.9490   1.0140   1.8820   0.9800 0.6763000E-01 1.410000 
1 1 1   -5   33    1 o   6.2080   1.3550   5.6020   1.8980   6.8140   1.9330 -1.212000 2.709000 
1 1 1   -5   33    2 o   4.5910   1.3120   4.6790   1.8420   4.5020   1.8700 0.1769000 2.625000 
1 1 1   -5   33    3 o   10.980   0.9703   10.490   1.2510   11.460   1.4830 -0.9729000 1.941000 
1 1 1   -5   33    4 o   12.030   0.9129   12.120   1.2380   11.950   1.3410 0.1764000 1.826000 
1 1 1   -5   33    5 o   3.7910   1.2220   3.1380   1.5160   4.4440   1.9160 -1.306000 2.444000 
1 1 1   -5   33    6 f   2.9700   1.0280   2.9920   1.4570   2.9480   1.4490 0.4392000E-01 2.055000 
1 1 1   -5   33    7 o   3.1280   1.0710   2.9010   1.4250   3.3540   1.5980 -0.4533000 2.141000 
1 1 1   -5   33    8 o   4.6990   1.3140   5.7060   2.0030   3.6930   1.7010 2.013000 2.628000 
1 1 1   -5   33    9 o   3.2410   1.0910   3.3470   1.5760   3.1340   1.5090 0.2127000 2.182000 
1 1 1   -5   33   10 o   3.9170   1.2060   3.8930   1.6970   3.9410   1.7150 -0.4737000E-01 2.412000 
1 1 1   -5   33   11 o   1.8070   0.6577   1.8250   0.9380   1.7890   0.9222 0.3565000E-01 1.315000 
1 1 1   -5   33   12 o   2.9070   1.0070   2.6000   1.3000   3.2140   1.5390 -0.6143000 2.014000 
1 1 1   -5   33   13 o   2.0480   0.7477   1.9920   1.0300   2.1050   1.0840 -0.1138000 1.495000 
1 1 1   -5   35    1 o   2.5210   0.8932   2.5550   1.2770   2.4860   1.2490 0.6959000E-01 1.786000 
1 1 1   -5   35    2 o   5.0290   1.3780   4.6570   1.9100   5.4020   1.9860 -0.7447000 2.755000 
1 1 1   -5   35    3 o   2.3330   1.2070   2.3330   1.2070  ?   ?       ?      ? 
1 1 1   -5   35    4 o   2.0550   1.0670   2.0550   1.0670  ?   ?       ?      ? 
1 1 1   -4    0    1 o   21.290   0.2736   21.290   0.2736   21.290   0.2736 0.000000 0.000000 
1 1 1   -4    0    2 o   5.1320   0.1772   5.1320   0.1772   5.1320   0.1772 -0.000000 0.000000 
1 1 1   -4    0    3 f   10.160   0.1573   10.160   0.1573   10.160   0.1573 -0.000000 0.000000 
1 1 1   -4    0    4 o   12.600   0.1766   12.600   0.1766   12.600   0.1766 -0.000000 0.000000 
1 1 1   -4    0    5 o   61.970   0.7829   61.970   0.7829   61.970   0.7829 -0.000000 0.000000 
1 1 1   -4    0    6 o   45.440   0.4123   45.440   0.4123   45.440   0.4123 -0.000000 0.000000 
1 1 1   -4    0    7 o   57.940   0.5213   57.940   0.5213   57.940   0.5213 -0.000000 0.000000 
1 1 1   -4    0    8 o   60.540   0.5457   60.540   0.5457   60.540   0.5457 -0.000000 0.000000 
1 1 1   -4    0    9 o   38.150   0.3635   38.150   0.3635   38.150   0.3635 -0.000000 0.000000 
1 1 1   -4    0   10 o   37.330   0.5109   37.330   0.5109   37.330   0.5109 -0.000000 0.000000 
1 1 1   -4    0   11 o   50.180   0.6577   50.180   0.6577   50.180   0.6577 0.000000 0.000000 
1 1 1   -4    0   12 o   36.610   0.3647   36.610   0.3647   36.610   0.3647 -0.000000 0.000000 
1 1 1   -4    0   13 o   21.560   0.3290   21.560   0.3290   21.560   0.3290 0.000000 0.000000 
1 1 1   -4    0   14 o   74.570   0.6755   74.570   0.6755   74.570   0.6755 -0.000000 0.000000 
1 1 1   -4    0   15 o   40.020   0.4077   40.020   0.4077   40.020   0.4077 0.000000 0.000000 
1 1 1   -4    0   16 o   25.900   0.3782   25.900   0.3782   25.900   0.3782 -0.000000 0.000000 
1 1 1   -4    0   17 o   34.940   0.4070   34.940   0.4070   34.940   0.4070 -0.000000 0.000000 
1 1 1   -4    0   18 o   42.190   0.4510   42.190   0.4510   42.190   0.4510 -0.000000 0.000000 
1 1 1   -4    0   19 o   17.230   0.8049   17.230   0.8049   17.230   0.8049 -0.000000 0.000000 
1 1 1   -4    0   20 o   23.050   0.6004   23.050   0.6004   23.050   0.6004 -0.000000 0.000000 
1 1 1   -4    0   21 o   58.860   0.5737   58.860   0.5737   58.860   0.5737 -0.000000 0.000000 
1 1 1   -4    0   22 o   2.1560   1.4840   2.1560   1.4840   2.1560   1.4840 0.000000 0.000000 
1 1 1   -4    0   23 o   47.940   0.5099   47.940   0.5099   47.940   0.5099 -0.000000 0.000000 
1 1 1   -4    0   24 o   12.570   1.3360   12.570   1.3360   12.570   1.3360 -0.000000 0.000000 
1 1 1   -4    0   25 o   13.280   0.7834   13.280   0.7834   13.280   0.7834 0.000000 0.000000 
1 1 1   -4    0   26 o   6.8640   1.6900   6.8640   1.6900   6.8640   1.6900 0.000000 0.000000 
1 1 1   -4    0   27 o   16.130   0.6212   16.130   0.6212   16.130   0.6212 -0.000000 0.000000 
1 1 1   -4    0   28 o   4.0270   2.0030   4.0270   2.0030   4.0270   2.0030 0.000000 0.000000 
1 1 1   -4    0   29 o   22.940   0.5075   22.940   0.5075   22.940   0.5075 0.000000 0.000000 
1 1 1   -4    0   30 o   8.1290   1.4570   8.1290   1.4570   8.1290   1.4570 0.000000 0.000000 
1 1 1   -4    0   31 o   8.3730   1.4980   8.3730   1.4980   8.3730   1.4980 0.000000 0.000000 
1 1 1   -4    0   32 o   3.3840   2.1530   3.3840   2.1530   3.3840   2.1530 0.000000 0.000000 
1 1 1   -4    0   33 o   10.250   1.3190   10.250   1.3190   10.250   1.3190 -0.000000 0.000000 
1 1 1   -4    0   34 o   12.480   1.1470   12.480   1.1470   12.480   1.1470 -0.000000 0.000000 
1 1 1   -4    0   35 o   3.8800   2.2180   3.8800   2.2180   3.8800   2.2180 0.000000 0.000000 
1 1 1   -4    0   36 o   2.5480   1.8100   2.5480   1.8100   2.5480   1.8100 -0.000000 0.000000 
1 1 1   -4    0   37 o   6.3000   2.3110   6.3000   2.3110   6.3000   2.3110 -0.000000 0.000000 
1 1 1   -4    2    1 o   55.850   0.3524   56.770   0.5062   54.920   0.4905 1.852000 0.7048000 
1 1 1   -4    2    2 o   59.000   0.3723   58.870   0.5255   59.140   0.5276 -0.2663000 0.7447000 
1 1 1   -4    2    3 o   75.480   0.4754   75.910   0.6760   75.040   0.6686 0.8747000 0.9508000 
1 1 1   -4    2    4 o   21.210   0.1842   21.120   0.2604   21.310   0.2606 -0.1883000 0.3684000 
1 1 1   -4    2    5 o   46.150   0.3848   45.120   0.4737   47.190   0.6067 -2.062000 0.7697000 
1 1 1   -4    2    6 o   91.020   0.5736   90.980   0.8105   91.070   0.8119 -0.8279000E-01 1.147000 
1 1 1   -4    2    7 o   91.620   0.5774   91.630   0.8165   91.600   0.8167 0.2245000E-01 1.155000 
1 1 1   -4    2    8 o  104.600   0.6586  104.800   0.9331  104.300   0.9297 0.4846000 1.317000 
1 1 1   -4    2    9 o   47.480   0.3103   47.840   0.4416   47.110   0.4361 0.7355000 0.6206000 
1 1 1   -4    2   10 o   79.240   0.7136   79.080   1.0070   79.390   1.0110 -0.3103000 1.427000 
1 1 1   -4    2   11 o   36.410   0.2566   36.820   0.3655   35.990   0.3604 0.8284000 0.5133000 
1 1 1   -4    2   12 o   32.620   0.2425   33.020   0.3453   32.210   0.3404 0.8013000 0.4849000 
1 1 1   -4    2   13 o   26.280   0.2326   26.320   0.3293   26.230   0.3286 0.9681000E-01 0.4652000 
1 1 1   -4    2   14 o   45.810   0.3124   46.040   0.4426   45.590   0.4411 0.4519000 0.6249000 
1 1 1   -4    2   15 o   55.200   0.3666   55.340   0.5192   55.050   0.5176 0.2957000 0.7332000 
1 1 1   -4    2   16 o   29.790   0.2754   29.980   0.3882   29.600   0.3907 0.3878000 0.5507000 
1 1 1   -4    2   17 o   41.790   0.3127   41.960   0.4411   41.620   0.4432 0.3417000 0.6253000 
1 1 1   -4    2   18 o   12.240   0.5391   12.810   0.7145   11.670   0.8075 1.136000 1.078000 
1 1 1   -4    2   19 o   16.750   0.6105   16.710   0.8454   16.800   0.8809 -0.9731000E-01 1.221000 
1 1 1   -4    2   20 o   10.400   0.7509   10.890   0.9570   9.9140   1.1570 0.9747000 1.502000 
1 1 1   -4    2   21 o   18.820   0.4397   18.380   0.6250   19.260   0.6186 -0.8815000 0.8794000 
1 1 1   -4    2   22 o   31.440   0.3327   31.170   0.4674   31.720   0.4737 -0.5541000 0.6655000 
1 1 1   -4    2   23 o   18.720   0.4271   18.390   0.6017   19.050   0.6064 -0.6569000 0.8542000 
1 1 1   -4    2   24 o   6.2810   1.4370   5.3890   1.9980   7.1730   2.0660 -1.784000 2.874000 
1 1 1   -4    2   25 o   14.220   0.5131   14.150   0.7230   14.300   0.7284 -0.1464000 1.026000 
1 1 1   -4    2   26 o   18.110   0.4093   18.230   0.5692   17.990   0.5882 0.2371000 0.8185000 
1 1 1   -4    2   27 o   4.2160   1.1430   3.9740   1.5840   4.4580   1.6490 -0.4846000 2.287000 
1 1 1   -4    2   28 o   7.7480   0.9505   8.9120   1.0890   6.5850   1.5590 2.328000 1.901000 
1 1 1   -4    2   29 o   21.520   0.3795   21.690   0.5210   21.360   0.5520 0.3350000 0.7591000 
1 1 1   -4    2   30 o   3.2360   1.0360   3.4390   1.5130   3.0320   1.4160 0.4072000 2.072000 
1 1 1   -4    2   31 o   10.990   0.8386   11.760   1.1240   10.210   1.2450 1.549000 1.677000 
1 1 1   -4    2   32 o   4.7470   1.3810   3.9250   1.7820   5.5700   2.1100 -1.646000 2.762000 
1 1 1   -4    2   33 o   9.5900   1.0080   8.4760   1.5490   10.700   1.2890 -2.228000 2.015000 
1 1 1   -4    2   34 o   5.5100   1.3360   6.6140   1.9250   4.4050   1.8530 2.209000 2.672000 
1 1 1   -4    2   35 o   4.4070   1.3170   4.4940   1.8860   4.3200   1.8390 0.1739000 2.634000 
1 1 1   -4    2   36 o   3.6000   1.2330   3.5470   1.7120   3.6540   1.7740 -0.1067000 2.466000 
1 1 1   -4    2   37 o   2.8110   0.9747   2.8490   1.3940   2.7720   1.3630 0.7678000E-01 1.949000 
1 1 1   -4    4    1 o   58.460   0.4780   59.080   0.6121   57.850   0.7343 1.233000 0.9560000 
1 1 1   -4    4    2 o   40.710   0.3071   40.340   0.4311   41.080   0.4376 -0.7376000 0.6142000 
1 1 1   -4    4    3 o   48.750   0.3625   48.630   0.5115   48.860   0.5137 -0.2338000 0.7249000 
1 1 1   -4    4    4 o   69.180   0.5065   69.140   0.7160   69.220   0.7166 -0.7771000E-01 1.013000 
1 1 1   -4    4    5 o   44.260   0.2898   44.450   0.4116   44.070   0.4082 0.3794000 0.5797000 
1 1 1   -4    4    6 o   93.560   0.5902   93.620   0.8351   93.510   0.8343 0.1023000 1.180000 
1 1 1   -4    4    7 o  114.900   0.7238  115.000   1.0240  114.800   1.0230 0.1106000 1.448000 
1 1 1   -4    4    8 o   68.980   0.4398   69.120   0.6231   68.850   0.6210 0.2705000 0.8797000 
1 1 1   -4    4    9 o   36.530   0.2965   36.700   0.4198   36.370   0.4189 0.3352000 0.5931000 
1 1 1   -4    4   10 o   39.110   0.3124   39.060   0.4431   39.160   0.4405 -0.9489000E-01 0.6249000 
1 1 1   -4    4   11 o   23.570   0.2227   23.490   0.3137   23.650   0.3163 -0.1614000 0.4454000 
1 1 1   -4    4   12 o   44.670   0.3033   44.970   0.4315   44.360   0.4264 0.6083000 0.6066000 
1 1 1   -4    4   13 o   13.170   0.3407   13.040   0.4974   13.290   0.4659 -0.2579000 0.6815000 
1 1 1   -4    4   14 o   9.8350   0.4592   10.410   0.5917   9.2570   0.7023 1.156000 0.9183000 
1 1 1   -4    4   15 o   12.450   0.4062   12.510   0.5690   12.380   0.5799 0.1224000 0.8124000 
1 1 1   -4    4   16 o   7.1630   1.0210   8.1120   1.2660   6.2150   1.6030 1.897000 2.042000 
1 1 1   -4    4   17 o   44.270   0.3250   44.120   0.4550   44.420   0.4641 -0.2980000 0.6499000 
1 1 1   -4    4   18 o   13.260   0.6175   13.200   0.8723   13.330   0.8742 -0.1240000 1.235000 
1 1 1   -4    4   19 o   42.090   0.4690   41.990   0.6570   42.200   0.6696 -0.2130000 0.9380000 
1 1 1   -4    4   20 o   15.630   0.5750   16.300   0.8296   14.970   0.7964 1.329000 1.150000 
1 1 1   -4    4   21 o   14.830   0.5290   14.890   0.7318   14.760   0.7642 0.1307000 1.058000 
1 1 1   -4    4   22 o   4.9610   1.2200   4.3590   1.6630   5.5620   1.7840 -1.203000 2.439000 
1 1 1   -4    4   23 o   35.110   0.3876   34.930   0.5343   35.300   0.5618 -0.3681000 0.7753000 
1 1 1   -4    4   24 o   18.040   0.5182   17.660   0.7671   18.410   0.6970 -0.7529000 1.036000 
1 1 1   -4    4   25 o   11.080   0.6665   12.250   0.7983   9.9030   1.0670 2.349000 1.333000 
1 1 1   -4    4   26 o   10.580   0.6800   10.700   0.8915   10.470   1.0270 0.2233000 1.360000 
1 1 1   -4    4   27 o   5.7490   1.1710   5.8230   1.6040   5.6760   1.7070 0.1469000 2.342000 
1 1 1   -4    4   28 o   6.8130   1.0730   6.7460   1.4730   6.8790   1.5600 -0.1340000 2.145000 
1 1 1   -4    4   29 o   4.3780   1.1760   4.3500   1.6510   4.4060   1.6750 -0.5593000E-01 2.352000 
1 1 1   -4    4   30 o   11.360   0.6881   11.710   0.9088   11.000   1.0330 0.7074000 1.376000 
1 1 1   -4    4   31 o   11.650   0.9260   12.470   1.1120   10.820   1.4810 1.648000 1.852000 
1 1 1   -4    4   32 o   4.0990   1.2640   3.8510   1.6930   4.3480   1.8780 -0.4972000 2.528000 
1 1 1   -4    4   33 o   4.3240   1.2780   4.2720   1.7930   4.3750   1.8220 -0.1031000 2.557000 
1 1 1   -4    4   34 o   3.1760   1.0710   3.3850   1.5810   2.9680   1.4450 0.4162000 2.142000 
1 1 1   -4    4   35 o   6.6280   1.4340   8.2240   1.9680   5.0310   2.0870 3.193000 2.869000 
1 1 1   -4    4   36 f   3.2480   1.1150   3.4280   1.6480   3.0670   1.5040 0.3612000 2.231000 
1 1 1   -4    4   37 o   2.6140   0.9223   2.9980   1.4560   2.2300   1.1320 0.7678000 1.845000 
1 1 1   -4    6    1 o  147.600   0.9272  147.800   1.3130  147.300   1.3090 0.5043000 1.854000 
1 1 1   -4    6    2 f  234.100   1.4730  233.900   2.0810  234.300   2.0840 -0.3961000 2.945000 
1 1 1   -4    6    3 o  176.000   1.1060  175.900   1.5630  176.100   1.5650 -0.2533000 2.212000 
1 1 1   -4    6    4 o   67.770   0.4323   67.870   0.6121   67.680   0.6107 0.1893000 0.8646000 
1 1 1   -4    6    5 o   67.300   0.4302   67.380   0.6089   67.210   0.6080 0.1716000 0.8604000 
1 1 1   -4    6    6 o   69.650   0.4450   69.650   0.6291   69.650   0.6295 0.5531000E-02 0.8900000 
1 1 1   -4    6    7 o   48.820   0.3733   48.370   0.5228   49.260   0.5329 -0.8971000 0.7466000 
1 1 1   -4    6    8 o   58.060   0.5341   57.840   0.7534   58.290   0.7571 -0.4519000 1.068000 
1 1 1   -4    6    9 o   25.740   0.2633   26.140   0.3753   25.340   0.3694 0.8020000 0.5266000 
1 1 1   -4    6   10 o   37.280   0.2682   37.380   0.3795   37.170   0.3790 0.2098000 0.5363000 
1 1 1   -4    6   11 f   52.310   0.3470   52.270   0.4900   52.360   0.4915 -0.8308000E-01 0.6940000 
1 1 1   -4    6   12 o   8.7840   0.5447   9.8440   0.6050   7.7230   0.9059 2.121000 1.089000 
1 1 1   -4    6   13 o   75.920   0.4879   75.960   0.6899   75.880   0.6901 0.7632000E-01 0.9758000 
1 1 1   -4    6   14 o   61.380   0.4043   61.370   0.5711   61.380   0.5723 -0.1522000E-01 0.8086000 
1 1 1   -4    6   15 o   15.810   0.4553   14.770   0.6499   16.850   0.6379 -2.079000 0.9107000 
1 1 1   -4    6   16 o   66.010   0.4361   66.080   0.6160   65.940   0.6175 0.1430000 0.8722000 
1 1 1   -4    6   17 o   36.850   0.3642   36.370   0.5104   37.340   0.5195 -0.9631000 0.7283000 
1 1 1   -4    6   18 o   21.980   0.5159   22.010   0.7207   21.950   0.7384 0.6668000E-01 1.032000 
1 1 1   -4    6   19 o   44.230   0.3938   44.470   0.5465   43.990   0.5673 0.4745000 0.7877000 
1 1 1   -4    6   20 o   30.830   0.3390   30.990   0.4717   30.680   0.4871 0.3114000 0.6780000 
1 1 1   -4    6   21 o   15.960   0.5013   16.540   0.6635   15.370   0.7516 1.164000 1.003000 
1 1 1   -4    6   22 o   17.050   0.4680   17.110   0.6332   16.990   0.6893 0.1179000 0.9359000 
1 1 1   -4    6   23 o   16.240   0.7227   16.930   0.9467   15.560   1.0920 1.369000 1.445000 
1 1 1   -4    6   24 o   8.5360   0.9572   8.5420   1.3380   8.5290   1.3690 0.1274000E-01 1.914000 
1 1 1   -4    6   25 o   28.520   0.3227   28.810   0.4481   28.230   0.4645 0.5779000 0.6454000 
1 1 1   -4    6   26 o   25.330   0.3401   25.500   0.4643   25.150   0.4969 0.3448000 0.6801000 
1 1 1   -4    6   27 o   11.460   0.6191   10.910   0.8999   12.010   0.8506 -1.104000 1.238000 
1 1 1   -4    6   28 o   6.9690   1.0340   6.1530   1.5480   7.7850   1.3720 -1.632000 2.069000 
1 1 1   -4    6   29 o   7.7720   0.9600   7.1760   1.3940   8.3670   1.3200 -1.190000 1.920000 
1 1 1   -4    6   30 o   12.770   0.6185   12.910   0.8169   12.630   0.9290 0.2799000 1.237000 
1 1 1   -4    6   31 o   3.3800   1.1340   3.1610   1.5130   3.5990   1.6880 -0.4375000 2.267000 
1 1 1   -4    6   32 o   7.3370   1.1920   8.0230   1.5600   6.6520   1.8020 1.371000 2.383000 
1 1 1   -4    6   33 o   5.5990   1.3360   6.5170   1.8940   4.6810   1.8840 1.836000 2.671000 
1 1 1   -4    6   34 o   3.8390   1.2060   4.0630   1.7470   3.6160   1.6630 0.4466000 2.412000 
1 1 1   -4    6   35 o   4.2550   1.3920   4.2250   1.9420   4.2840   1.9940 -0.5885000E-01 2.783000 
1 1 1   -4    6   36 f   3.2450   1.0880   3.5100   1.6270   2.9800   1.4450 0.5303000 2.176000 
1 1 1   -4    6   37 o   2.9370   1.0090   2.8900   1.4100   2.9840   1.4420 -0.9414000E-01 2.017000 
1 1 1   -4    8    1 o   41.100   0.2812   41.410   0.3999   40.780   0.3953 0.6287000 0.5623000 
1 1 1   -4    8    2 o   54.290   0.3541   54.350   0.5010   54.230   0.5005 0.1230000 0.7081000 
1 1 1   -4    8    3 o   44.390   0.3009   44.280   0.4244   44.500   0.4266 -0.2190000 0.6017000 
1 1 1   -4    8    4 o   45.100   0.3927   44.490   0.6019   45.710   0.5047 -1.218000 0.7855000 
1 1 1   -4    8    5 o   49.100   0.3786   48.950   0.5335   49.250   0.5372 -0.3051000 0.7571000 
1 1 1   -4    8    6 o   30.770   0.4907  ?   ?    30.770   0.4907      ?      ? 
1 1 1   -4    8    7 o   23.460   0.2765   23.630   0.3931   23.290   0.3889 0.3394000 0.5530000 
1 1 1   -4    8    8 o   21.130   0.2861   21.560   0.3987   20.710   0.4104 0.8555000 0.5722000 
1 1 1   -4    8    9 o   7.5510   0.5723   7.6850   0.7777   7.4170   0.8398 0.2674000 1.145000 
1 1 1   -4    8   10 o   30.550   0.2810   30.420   0.4273   30.680   0.3652 -0.2570000 0.5621000 
1 1 1   -4    8   11 f   54.850   0.3658   54.560   0.5142   55.140   0.5205 -0.5842000 0.7317000 
1 1 1   -4    8   12 o   51.920   0.3517   51.850   0.4959   51.990   0.4987 -0.1420000 0.7033000 
1 1 1   -4    8   13 o   31.490   0.2773   31.430   0.3869   31.560   0.3973 -0.1271000 0.5546000 
1 1 1   -4    8   14 o   21.590   0.4708   24.800   0.6939   18.370   0.6365 6.433000 0.9416000 
1 1 1   -4    8   15 o   19.130   0.3503   19.100   0.4873   19.150   0.5034 -0.5606000E-01 0.7006000 
1 1 1   -4    8   16 o   45.150   0.3953   44.940   0.5580   45.360   0.5600 -0.4209000 0.7906000 
1 1 1   -4    8   17 o   45.830   0.4889   45.040   0.6790   46.630   0.7035 -1.589000 0.9777000 
1 1 1   -4    8   18 o   21.190   0.4429   21.250   0.5892   21.130   0.6613 0.1204000 0.8857000 
1 1 1   -4    8   19 o   25.620   0.3638   25.400   0.5032   25.830   0.5256 -0.4300000 0.7277000 
1 1 1   -4    8   20 o   4.9320   1.2070   5.6920   1.7080   4.1720   1.7050 1.520000 2.414000 
1 1 1   -4    8   21 o   21.000   0.3966   21.080   0.5490   20.920   0.5724 0.1603000 0.7931000 
1 1 1   -4    8   22 o   40.740   0.3997   41.020   0.5531   40.450   0.5772 0.5760000 0.7994000 
1 1 1   -4    8   23 o   12.730   0.6927   13.480   0.9100   11.970   1.0450 1.504000 1.385000 
1 1 1   -4    8   24 o   21.190   0.3844   20.950   0.5221   21.430   0.5644 -0.4779000 0.7689000 
1 1 1   -4    8   25 o   33.560   0.3222   32.610   0.4460   34.510   0.4651 -1.897000 0.6444000 
1 1 1   -4    8   26 o   12.220   0.5859   12.020   0.7958   12.420   0.8602 -0.4036000 1.172000 
1 1 1   -4    8   27 o   3.5790   1.0840   3.6380   1.5200   3.5210   1.5450 0.1172000 2.167000 
1 1 1   -4    8   28 o   11.650   0.6270   11.020   0.9056   12.290   0.8675 -1.276000 1.254000 
1 1 1   -4    8   29 o   16.460   0.4757   16.520   0.6520   16.390   0.6930 0.1296000 0.9515000 
1 1 1   -4    8   30 o   7.1820   1.2700   8.5850   1.5870   5.7800   1.9820 2.805000 2.539000 
1 1 1   -4    8   31 o   8.9490   1.1150   9.3540   1.4060   8.5440   1.7320 0.8101000 2.231000 
1 1 1   -4    8   32 o   7.0840   1.2370   8.0320   1.6130   6.1360   1.8750 1.896000 2.473000 
1 1 1   -4    8   33 o   5.7730   1.3610   4.7620   1.8880   6.7830   1.9600 -2.021000 2.721000 
1 1 1   -4    8   34 o   5.0210   1.4600   4.7520   1.9640   5.2900   2.1610 -0.5382000 2.920000 
1 1 1   -4    8   35 o   4.0610   1.2940   4.6500   1.9820   3.4720   1.6650 1.178000 2.588000 
1 1 1   -4    8   36 o   3.4740   1.1160   4.3150   1.8090   2.6320   1.3080 1.683000 2.233000 
1 1 1   -4   10    1 o   64.250   0.4806   63.640   0.6736   64.870   0.6856 -1.230000 0.9612000 
1 1 1   -4   10    2 o   31.040   0.3252   30.910   0.5024   31.180   0.4131 -0.2656000 0.6504000 
1 1 1   -4   10    3 o   42.580   0.3424   42.460   0.4824   42.690   0.4862 -0.2285000 0.6849000 
1 1 1   -4   10    4 o   11.680   0.4494   12.070   0.6121   11.300   0.6582 0.7694000 0.8988000 
1 1 1   -4   10    5 o   17.450   0.3687   17.140   0.5692   17.760   0.4687 -0.6193000 0.7374000 
1 1 1   -4   10    6 o   43.360   0.3054   43.380   0.4319   43.330   0.4320 0.4050000E-01 0.6108000 
1 1 1   -4   10    7 o   41.160   0.2972   41.130   0.4192   41.190   0.4215 -0.5718000E-01 0.5944000 
1 1 1   -4   10    8 o   51.710   0.3500   51.810   0.4947   51.610   0.4951 0.1976000 0.7000000 
1 1 1   -4   10    9 o   50.900   0.3473   51.400   0.4944   50.400   0.4878 0.9996000 0.6945000 
1 1 1   -4   10   10 o   23.420   0.2832   23.590   0.3962   23.240   0.4047 0.3442000 0.5663000 
1 1 1   -4   10   11 o   23.210   0.2926   23.270   0.4116   23.140   0.4160 0.1295000 0.5852000 
1 1 1   -4   10   12 o   64.290   0.4259   64.300   0.6024   64.270   0.6023 0.3658000E-01 0.8518000 
1 1 1   -4   10   13 o   82.920   0.5357   82.970   0.7576   82.870   0.7576 0.1051000 1.071000 
1 1 1   -4   10   14 o   39.850   0.3218   40.120   0.4545   39.580   0.4557 0.5343000 0.6436000 
1 1 1   -4   10   15 o   30.110   0.4506   30.080   0.5472   30.140   0.7161 -0.5383000E-01 0.9012000 
1 1 1   -4   10   16 o   57.000   0.5620   56.880   0.7891   57.110   0.8003 -0.2276000 1.124000 
1 1 1   -4   10   17 o   12.180   0.7244   11.800   1.0280   12.550   1.0210 -0.7474000 1.449000 
1 1 1   -4   10   18 o   43.050   0.3508   43.050   0.4906   43.040   0.5015 0.7919000E-02 0.7016000 
1 1 1   -4   10   19 o   15.410   0.5310   15.180   0.7408   15.640   0.7610 -0.4554000 1.062000 
1 1 1   -4   10   20 o   11.200   0.7092   11.980   0.8918   10.410   1.1030 1.575000 1.418000 
1 1 1   -4   10   21 o   22.330   0.4598   23.200   0.5851   21.450   0.7094 1.752000 0.9196000 
1 1 1   -4   10   22 o   7.2940   1.1680   6.6760   1.7490   7.9120   1.5490 -1.236000 2.337000 
1 1 1   -4   10   23 o   15.590   0.4794   15.810   0.6344   15.370   0.7190 0.4448000 0.9589000 
1 1 1   -4   10   24 o   15.630   0.4782   15.730   0.6312   15.520   0.7186 0.2130000 0.9564000 
1 1 1   -4   10   25 o   8.6870   0.8502   9.5000   0.9868   7.8750   1.3850 1.626000 1.700000 
1 1 1   -4   10   26 o   3.6810   1.0940   3.1910   1.4310   4.1720   1.6560 -0.9806000 2.188000 
1 1 1   -4   10   27 o   13.480   0.5527   14.500   0.6768   12.460   0.8739 2.040000 1.105000 
1 1 1   -4   10   28 o   7.3770   1.0550   6.2690   1.6050   8.4840   1.3690 -2.215000 2.110000 
1 1 1   -4   10   29 o   3.5860   1.1620   3.6860   1.6710   3.4860   1.6150 0.1999000 2.324000 
1 1 1   -4   10   30 o   6.4670   1.4740   7.0630   2.0480   5.8720   2.1190 1.191000 2.947000 
1 1 1   -4   10   31 o   12.040   0.7597   11.800   1.0240   12.270   1.1220 -0.4663000 1.519000 
1 1 1   -4   10   32 o   4.1890   1.2500   3.7800   1.6750   4.5980   1.8570 -0.8184000 2.501000 
1 1 1   -4   10   33 o   11.930   0.8439   12.260   1.1250   11.600   1.2580 0.6586000 1.688000 
1 1 1   -4   10   34 o   4.0590   1.2970   4.1570   1.8290   3.9600   1.8380 0.1974000 2.593000 
1 1 1   -4   10   35 o   2.7440   0.9719   2.4590   1.2480   3.0290   1.4910 -0.5696000 1.944000 
1 1 1   -4   10   36 o   2.4940   0.8834   2.5570   1.2760   2.4310   1.2220 0.1252000 1.767000 
1 1 1   -4   12    1 o   31.930   0.2657   32.020   0.3757   31.840   0.3757 0.1744000 0.5313000 
1 1 1   -4   12    2 o   7.3600   0.6838   7.3240   0.9662   7.3960   0.9677 -0.7212000E-01 1.368000 
1 1 1   -4   12    3 o   27.070   0.2656   27.280   0.3746   26.870   0.3765 0.4084000 0.5311000 
1 1 1   -4   12    4 o   69.390   0.4501   69.100   0.6339   69.670   0.6393 -0.5641000 0.9003000 
1 1 1   -4   12    5 o   67.140   0.4378   67.090   0.6178   67.180   0.6206 -0.8544000E-01 0.8757000 
1 1 1   -4   12    6 o   9.6190   0.5692   10.420   0.7194   8.8170   0.8822 1.605000 1.138000 
1 1 1   -4   12    7 o   31.200   0.3382   31.970   0.5473   30.440   0.3975 1.533000 0.6764000 
1 1 1   -4   12    8 o   45.910   0.3294   45.870   0.4650   45.950   0.4666 -0.8682000E-01 0.6587000 
1 1 1   -4   12    9 f   41.860   0.3158   42.050   0.4463   41.680   0.4469 0.3707000 0.6316000 
1 1 1   -4   12   10 o   54.190   0.3749   54.310   0.5288   54.070   0.5316 0.2369000 0.7498000 
1 1 1   -4   12   11 o   69.370   0.4576   69.380   0.6464   69.350   0.6478 0.3433000E-01 0.9151000 
1 1 1   -4   12   12 o   33.150   0.3118   32.930   0.4351   33.370   0.4467 -0.4367000 0.6236000 
1 1 1   -4   12   13 o   69.970   0.5394   69.970   0.7629   69.980   0.7626 -0.1059000E-01 1.079000 
1 1 1   -4   12   14 o   21.620   0.4930   21.260   0.7004   21.990   0.6941 -0.7360000 0.9860000 
1 1 1   -4   12   15 o   23.130   0.4456   22.950   0.6151   23.310   0.6448 -0.3608000 0.8912000 
1 1 1   -4   12   16 o   52.160   0.4965   51.480   0.6074   52.830   0.7855 -1.353000 0.9930000 
1 1 1   -4   12   17 o   33.890   0.3784   34.240   0.4886   33.540   0.5779 0.7042000 0.7568000 
1 1 1   -4   12   18 o   24.090   0.3963   24.290   0.5399   23.890   0.5803 0.4012000 0.7926000 
1 1 1   -4   12   19 o   25.430   0.3807   25.270   0.5183   25.600   0.5577 -0.3286000 0.7613000 
1 1 1   -4   12   20 o   18.110   0.5486   18.880   0.6903   17.340   0.8527 1.544000 1.097000 
1 1 1   -4   12   21 o   29.960   0.3888   29.830   0.5463   30.090   0.5533 -0.2607000 0.7775000 
1 1 1   -4   12   22 o   12.890   0.5855   13.830   0.7324   11.950   0.9138 1.882000 1.171000 
1 1 1   -4   12   23 o   20.410   0.3993   20.080   0.5482   20.730   0.5806 -0.6529000 0.7985000 
1 1 1   -4   12   24 o   7.0890   1.0360   5.6190   1.6240   8.5590   1.2890 -2.940000 2.073000 
1 1 1   -4   12   25 o   10.830   0.6794   11.160   0.8888   10.510   1.0280 0.6494000 1.359000 
1 1 1   -4   12   26 o   2.7770   0.9276   3.0740   1.4030   2.4790   1.2140 0.5948000 1.855000 
1 1 1   -4   12   27 o   6.0810   1.1510   5.1320   1.6850   7.0300   1.5690 -1.898000 2.302000 
1 1 1   -4   12   28 o   8.1160   1.1710   7.8710   1.6820   8.3610   1.6290 -0.4894000 2.341000 
1 1 1   -4   12   29 o   15.270   0.6791   15.900   0.9013   14.630   1.0160 1.270000 1.358000 
1 1 1   -4   12   30 o   10.240   0.9685   10.860   1.1750   9.6250   1.5400 1.239000 1.937000 
1 1 1   -4   12   31 o   4.6020   1.2670   3.8830   1.6780   5.3200   1.8990 -1.437000 2.535000 
1 1 1   -4   12   32 o   5.4760   1.3470   5.8530   1.8940   5.0990   1.9170 0.7535000 2.695000 
1 1 1   -4   12   33 o   5.1720   1.4400   5.1150   1.9930   5.2280   2.0790 -0.1124000 2.880000 
1 1 1   -4   12   34 o   3.0130   1.0470   2.8540   1.4140   3.1720   1.5440 -0.3187000 2.094000 
1 1 1   -4   12   35 o   2.1010   0.7576   2.0710   1.0570   2.1310   1.0860 -0.5994000E-01 1.515000 
1 1 1   -4   14    1 o   31.620   0.2831   32.170   0.4003   31.080   0.4004 1.087000 0.5662000 
1 1 1   -4   14    2 o   15.620   0.3886   15.510   0.5522   15.720   0.5468 -0.2193000 0.7771000 
1 1 1   -4   14    3 o   27.360   0.2903   27.150   0.4123   27.580   0.4088 -0.4306000 0.5806000 
1 1 1   -4   14    4 o   79.990   0.5167   79.540   0.7268   80.440   0.7346 -0.9048000 1.033000 
1 1 1   -4   14    5 o   77.670   0.5032   77.310   0.7078   78.020   0.7156 -0.7098000 1.006000 
1 1 1   -4   14    6 o   39.020   0.3430   38.980   0.4380   39.050   0.5280 -0.6792000E-01 0.6860000 
1 1 1   -4   14    7 o   36.770   0.3133   37.020   0.4383   36.520   0.4477 0.4974000 0.6266000 
1 1 1   -4   14    8 o   55.190   0.3841   55.200   0.5421   55.190   0.5445 0.1064000E-01 0.7683000 
1 1 1   -4   14    9 o   56.500   0.3938   56.450   0.5565   56.550   0.5574 -0.9861000E-01 0.7877000 
1 1 1   -4   14   10 o   25.090   0.3573   25.020   0.4951   25.160   0.5153 -0.1303000 0.7146000 
1 1 1   -4   14   11 o   6.6760   1.2460   8.6280   1.6240   4.7230   1.8900 3.906000 2.492000 
1 1 1   -4   14   12 o   50.500   0.4414   50.240   0.6234   50.750   0.6250 -0.5156000 0.8828000 
1 1 1   -4   14   13 o   13.420   0.6983   14.250   0.8822   12.590   1.0830 1.662000 1.397000 
1 1 1   -4   14   14 o   9.2160   1.0170   10.070   1.2610   8.3650   1.5960 1.701000 2.035000 
1 1 1   -4   14   15 o   31.180   0.3623   31.130   0.4985   31.230   0.5259 -0.9809000E-01 0.7246000 
1 1 1   -4   14   16 o   13.270   0.6623   13.150   0.9174   13.390   0.9554 -0.2315000 1.325000 
1 1 1   -4   14   17 o   18.420   0.4726   18.400   0.6335   18.450   0.7015 -0.5965000E-01 0.9452000 
1 1 1   -4   14   18 o   17.310   0.6008   18.650   0.7057   15.980   0.9726 2.665000 1.202000 
1 1 1   -4   14   19 o   16.730   0.5425   16.120   0.7781   17.330   0.7561 -1.208000 1.085000 
1 1 1   -4   14   20 o   8.3030   1.0650   8.8770   1.3700   7.7290   1.6320 1.148000 2.131000 
1 1 1   -4   14   21 o   15.110   0.5143   15.040   0.6958   15.180   0.7576 -0.1428000 1.029000 
1 1 1   -4   14   22 o   7.9670   0.9619   8.1550   1.2220   7.7790   1.4860 0.3760000 1.924000 
1 1 1   -4   14   23 o   22.770   0.3746   22.760   0.5168   22.770   0.5424 -0.1116000E-01 0.7492000 
1 1 1   -4   14   24 o   13.890   0.5449   13.060   0.7645   14.720   0.7766 -1.663000 1.090000 
1 1 1   -4   14   25 o   12.430   0.6192   12.500   0.8099   12.360   0.9369 0.1381000 1.238000 
1 1 1   -4   14   26 o   10.210   0.7780   9.8340   1.0850   10.590   1.1160 -0.7537000 1.556000 
1 1 1   -4   14   27 o   7.2680   1.3350   7.5370   1.8280   7.0000   1.9460 0.5377000 2.670000 
1 1 1   -4   14   28 o   4.9640   1.3620   4.2130   1.8080   5.7140   2.0380 -1.501000 2.724000 
1 1 1   -4   14   29 o   7.5690   1.2680   7.8100   1.6090   7.3270   1.9610 0.4839000 2.537000 
1 1 1   -4   14   30 o   8.5710   1.1350   7.0620   1.7770   10.080   1.4130 -3.018000 2.270000 
1 1 1   -4   14   31 o   3.9770   1.2340   3.7000   1.6430   4.2530   1.8420 -0.5530000 2.469000 
1 1 1   -4   14   32 o   6.5250   1.3890   8.3040   1.9000   4.7460   2.0270 3.558000 2.778000 
1 1 1   -4   14   33 o   3.4730   1.1670   3.5050   1.6560   3.4400   1.6450 0.6459000E-01 2.335000 
1 1 1   -4   14   34 o   2.2770   0.8168   2.0230   1.0350   2.5300   1.2640 -0.5070000 1.634000 
1 1 1   -4   16    1 o   20.770   0.3721   20.830   0.5212   20.700   0.5311 0.1297000 0.7442000 
1 1 1   -4   16    2 o  102.600   0.6558  102.700   0.9283  102.500   0.9267 0.1947000 1.312000 
1 1 1   -4   16    3 f   38.620   0.3226   38.990   0.4575   38.260   0.4551 0.7302000 0.6453000 
1 1 1   -4   16    4 o   32.710   0.3221   32.720   0.4488   32.700   0.4621 0.2669000E-01 0.6442000 
1 1 1   -4   16    5 o   40.900   0.3314   40.830   0.4644   40.980   0.4730 -0.1531000 0.6628000 
1 1 1   -4   16    6 o   6.7680   1.1200   7.6660   1.4030   5.8700   1.7470 1.795000 2.241000 
1 1 1   -4   16    7 o   33.330   0.3918   32.940   0.5501   33.720   0.5580 -0.7836000 0.7836000 
1 1 1   -4   16    8 o   34.370   0.4012   34.050   0.5530   34.690   0.5814 -0.6405000 0.8024000 
1 1 1   -4   16    9 o   45.030   0.4257   45.380   0.6059   44.690   0.5981 0.6852000 0.8514000 
1 1 1   -4   16   10 o   45.320   0.4141   45.080   0.5782   45.560   0.5929 -0.4845000 0.8281000 
1 1 1   -4   16   11 f   40.300   0.4055   40.700   0.5658   39.900   0.5811 0.8000000 0.8111000 
1 1 1   -4   16   12 o   31.200   0.3735   31.140   0.5189   31.260   0.5374 -0.1139000 0.7471000 
1 1 1   -4   16   13 o   22.220   0.4435   21.960   0.6126   22.480   0.6414 -0.5159000 0.8870000 
1 1 1   -4   16   14 o   26.470   0.3983   25.900   0.5492   27.030   0.5770 -1.135000 0.7966000 
1 1 1   -4   16   15 o   15.500   0.5646   14.740   0.8074   16.260   0.7895 -1.521000 1.129000 
1 1 1   -4   16   16 o   28.930   0.4239   28.690   0.5667   29.170   0.6306 -0.4770000 0.8478000 
1 1 1   -4   16   17 o   26.930   0.4347   27.210   0.5704   26.660   0.6562 0.5537000 0.8694000 
1 1 1   -4   16   18 o   12.250   0.7716   13.240   0.9371   11.250   1.2260 1.983000 1.543000 
1 1 1   -4   16   19 f   5.6780   1.2920   4.8920   1.7930   6.4640   1.8600 -1.572000 2.584000 
1 1 1   -4   16   20 o   8.4690   0.9163   8.4400   1.2320   8.4980   1.3570 -0.5795000E-01 1.833000 
1 1 1   -4   16   21 o   6.3830   1.1450   6.1270   1.5630   6.6390   1.6740 -0.5113000 2.290000 
1 1 1   -4   16   22 o   5.3670   1.1140   6.7620   1.4940   3.9730   1.6540 2.789000 2.229000 
1 1 1   -4   16   23 o   5.3230   1.2160   5.6210   1.6600   5.0250   1.7790 0.5959000 2.433000 
1 1 1   -4   16   24 o   4.0520   1.1360   4.8720   1.7070   3.2320   1.4990 1.640000 2.271000 
1 1 1   -4   16   25 o   11.230   0.7275   11.880   0.9144   10.580   1.1320 1.304000 1.455000 
1 1 1   -4   16   26 o   3.6430   1.1800   3.1650   1.5180   4.1210   1.8080 -0.9554000 2.361000 
1 1 1   -4   16   27 o   6.3110   1.0360   3.3890   1.5350   9.2340   1.3920 -5.845000 2.072000 
1 1 1   -4   16   28 o   9.8270   1.0420   10.040   1.3000   9.6180   1.6290 0.4191000 2.084000 
1 1 1   -4   16   29 o   6.1640   1.3460   5.3300   1.8730   6.9970   1.9320 -1.667000 2.691000 
1 1 1   -4   16   30 o   4.2960   1.2730   4.6780   1.8440   3.9150   1.7570 0.7629000 2.547000 
1 1 1   -4   16   31 o   4.7840   1.3930   5.3500   2.0330   4.2180   1.9040 1.132000 2.785000 
1 1 1   -4   16   32 o   3.9170   1.2540   4.1550   1.8270   3.6790   1.7180 0.4763000 2.508000 
1 1 1   -4   16   33 o   2.9750   1.0190   2.9540   1.4280   2.9970   1.4540 -0.4273000E-01 2.038000 
1 1 1   -4   18    1 o   39.190   0.3966   40.090   0.5667   38.280   0.5550 1.809000 0.7932000 
1 1 1   -4   18    2 o   14.650   0.6934   13.430   1.0630   15.870   0.8910 -2.446000 1.387000 
1 1 1   -4   18    3 o   75.940   0.7103   77.970   1.0300   73.900   0.9783 4.070000 1.421000 
1 1 1   -4   18    4 o   54.050   0.5076   54.040   0.6396   54.060   0.7884 -0.1552000E-01 1.015000 
1 1 1   -4   18    5 o   12.660   0.8280   13.120   1.1000   12.200   1.2370 0.9160000 1.656000 
1 1 1   -4   18    6 o   26.030   0.5052   27.570   0.7454   24.490   0.6821 3.078000 1.010000 
1 1 1   -4   18    7 o   36.730   0.4074   37.140   0.5703   36.310   0.5819 0.8234000 0.8148000 
1 1 1   -4   18    8 o   13.180   0.7943   13.780   1.0390   12.580   1.2020 1.203000 1.589000 
1 1 1   -4   18    9 o   22.810   0.4374   22.260   0.6095   23.360   0.6274 -1.098000 0.8748000 
1 1 1   -4   18   10 o   45.460   0.3701   45.210   0.5103   45.720   0.5361 -0.5107000 0.7401000 
1 1 1   -4   18   11 o   19.180   0.5071   18.330   0.7227   20.020   0.7116 -1.689000 1.014000 
1 1 1   -4   18   12 f   41.160   0.3636   41.140   0.5079   41.180   0.5204 -0.4613000E-01 0.7272000 
1 1 1   -4   18   13 o   13.530   0.7785   14.260   0.9661   12.800   1.2210 1.460000 1.557000 
1 1 1   -4   18   14 o   26.430   0.4564   26.530   0.6005   26.320   0.6875 0.2177000 0.9128000 
1 1 1   -4   18   15 o   22.640   0.4182   22.290   0.5733   22.990   0.6091 -0.6957000 0.8364000 
1 1 1   -4   18   16 o   5.4020   1.3070   6.1630   1.8460   4.6400   1.8520 1.523000 2.615000 
1 1 1   -4   18   17 o   18.320   0.5283   18.710   0.7277   17.940   0.7660 0.7699000 1.057000 
1 1 1   -4   18   18 o   15.070   0.5311   15.910   0.6930   14.230   0.8050 1.681000 1.062000 
1 1 1   -4   18   19 o   14.920   0.5323   15.510   0.7107   14.330   0.7927 1.184000 1.065000 
1 1 1   -4   18   20 o   16.310   0.4980   16.420   0.6762   16.200   0.7312 0.2236000 0.9959000 
1 1 1   -4   18   21 o   6.0700   1.1900   5.5090   1.6830   6.6320   1.6840 -1.123000 2.381000 
1 1 1   -4   18   22 o   9.7310   0.8252   8.4150   1.2510   11.050   1.0770 -2.633000 1.650000 
1 1 1   -4   18   23 o   9.3620   0.9142   7.5670   1.4940   11.160   1.0540 -3.591000 1.828000 
1 1 1   -4   18   24 o   3.4350   1.1000   3.4490   1.5480   3.4210   1.5620 0.2829000E-01 2.199000 
1 1 1   -4   18   25 o   8.2090   1.2730   7.1750   1.9420   9.2440   1.6470 -2.069000 2.547000 
1 1 1   -4   18   26 o   6.5690   1.3230   5.5640   1.8660   7.5740   1.8760 -2.010000 2.646000 
1 1 1   -4   18   27 o   5.8590   1.3760   4.5560   1.8390   7.1620   2.0480 -2.606000 2.753000 
1 1 1   -4   18   28 o   4.7840   1.2920   3.7230   1.6720   5.8450   1.9700 -2.122000 2.584000 
1 1 1   -4   18   29 o   4.6910   1.3220   4.3020   1.8110   5.0800   1.9270 -0.7783000 2.644000 
1 1 1   -4   18   30 o   10.360   1.1490   9.6070   1.6580   11.120   1.5900 -1.512000 2.297000 
1 1 1   -4   18   31 o   3.2860   1.1210   3.3950   1.6160   3.1770   1.5540 0.2180000 2.242000 
1 1 1   -4   18   32 o   2.1520   0.7737   2.0850   1.0620   2.2190   1.1260 -0.1343000 1.547000 
1 1 1   -4   20    1 o   69.000   0.4668   69.190   0.6611   68.820   0.6593 0.3756000 0.9336000 
1 1 1   -4   20    2 o   49.380   0.3771   49.740   0.5348   49.020   0.5319 0.7121000 0.7543000 
1 1 1   -4   20    3 o   31.680   0.3594   31.780   0.5077   31.580   0.5089 0.2000000 0.7188000 
1 1 1   -4   20    4 o   21.280   0.4555   20.680   0.6484   21.880   0.6400 -1.195000 0.9111000 
1 1 1   -4   20    5 o   25.450   0.4084   25.160   0.5592   25.740   0.5955 -0.5757000 0.8168000 
1 1 1   -4   20    6 o   18.260   0.5186   18.220   0.7022   18.300   0.7634 -0.8108000E-01 1.037000 
1 1 1   -4   20    7 o   4.5630   1.2520   5.2530   1.8230   3.8730   1.7160 1.380000 2.504000 
1 1 1   -4   20    8 o   13.340   0.6775   12.430   0.9646   14.260   0.9516 -1.831000 1.355000 
1 1 1   -4   20    9 o   20.370   0.5358   21.340   0.6684   19.390   0.8375 1.951000 1.072000 
1 1 1   -4   20   10 o   19.140   0.5547   19.860   0.6921   18.420   0.8670 1.437000 1.109000 
1 1 1   -4   20   11 o   10.280   0.9742   10.500   1.1800   10.070   1.5500 0.4372000 1.948000 
1 1 1   -4   20   12 o   13.850   0.6679   14.400   0.9067   13.290   0.9808 1.107000 1.336000 
1 1 1   -4   20   13 o   24.140   0.4653   24.300   0.6456   23.980   0.6702 0.3243000 0.9306000 
1 1 1   -4   20   14 o   19.190   0.5307   18.850   0.7478   19.530   0.7532 -0.6745000 1.061000 
1 1 1   -4   20   15 o   16.230   0.5206   15.800   0.7161   16.650   0.7557 -0.8536000 1.041000 
1 1 1   -4   20   16 f   21.390   0.4184   21.620   0.5651   21.160   0.6170 0.4592000 0.8367000 
1 1 1   -4   20   17 o   16.650   0.4862   16.750   0.6440   16.540   0.7284 0.2093000 0.9723000 
1 1 1   -4   20   18 o   4.4500   1.2100   4.7240   1.7160   4.1770   1.7060 0.5461000 2.420000 
1 1 1   -4   20   19 o   5.8210   1.2350   6.2460   1.6920   5.3950   1.7990 0.8511000 2.470000 
1 1 1   -4   20   20 f   10.160   0.8035   10.130   1.1010   10.190   1.1710 -0.5908000E-01 1.607000 
1 1 1   -4   20   21 o   3.6400   1.1260   3.0600   1.4260   4.2190   1.7420 -1.159000 2.251000 
1 1 1   -4   20   22 o   10.080   0.8680   9.4470   1.2710   10.710   1.1820 -1.265000 1.736000 
1 1 1   -4   20   23 o   15.180   0.7553   14.880   1.1000   15.480   1.0350 -0.5921000 1.511000 
1 1 1   -4   20   24 o   6.4300   1.1790   8.1510   1.4730   4.7090   1.8410 3.442000 2.358000 
1 1 1   -4   20   25 o   11.240   0.9809   8.9600   1.5750   13.520   1.1700 -4.558000 1.962000 
1 1 1   -4   20   26 o   10.410   0.9360   11.300   1.1280   9.5150   1.4940 1.782000 1.872000 
1 1 1   -4   20   27 o   5.9650   1.3530   4.9430   1.9100   6.9880   1.9170 -2.045000 2.706000 
1 1 1   -4   20   28 o   4.5810   1.3680   4.7280   1.9470   4.4350   1.9210 0.2929000 2.735000 
1 1 1   -4   20   29 o   3.2660   1.0920   2.8970   1.4030   3.6350   1.6730 -0.7382000 2.184000 
1 1 1   -4   20   30 o   2.9680   1.0310   3.5100   1.6530   2.4260   1.2320 1.084000 2.062000 
1 1 1   -4   20   31 o   2.1600   0.7781   2.2700   1.1440   2.0510   1.0550 0.2186000 1.556000 
1 1 1   -4   22    1 o   29.470   0.4074   29.140   0.5578   29.810   0.5940 -0.6756000 0.8149000 
1 1 1   -4   22    2 o   30.450   0.4023   30.150   0.5502   30.740   0.5870 -0.5877000 0.8046000 
1 1 1   -4   22    3 o   21.720   0.4785   21.450   0.6581   21.980   0.6947 -0.5313000 0.9569000 
1 1 1   -4   22    4 o   11.940   0.7968   12.030   1.0550   11.850   1.1950 0.1847000 1.594000 
1 1 1   -4   22    5 o   8.5500   1.1960   8.6810   1.4770   8.4200   1.8820 0.2605000 2.392000 
1 1 1   -4   22    6 o   17.020   0.5986   16.260   0.7933   17.780   0.8968 -1.516000 1.197000 
1 1 1   -4   22    7 f   31.770   0.3600   31.160   0.4887   32.380   0.5288 -1.227000 0.7201000 
1 1 1   -4   22    8 o   42.420   0.4060   42.300   0.5641   42.550   0.5840 -0.2510000 0.8120000 
1 1 1   -4   22    9 o   19.690   0.5066   20.400   0.6691   18.980   0.7607 1.421000 1.013000 
1 1 1   -4   22   10 o   4.8920   1.2490   5.7920   1.7920   3.9920   1.7410 1.800000 2.499000 
1 1 1   -4   22   11 o   15.850   0.5174   15.480   0.6813   16.230   0.7790 -0.7505000 1.035000 
1 1 1   -4   22   12 f   5.9250   1.2200   6.0570   1.6430   5.7930   1.8040 0.2632000 2.440000 
1 1 1   -4   22   13 o   3.9920   1.1700   3.7860   1.5790   4.1970   1.7270 -0.4118000 2.340000 
1 1 1   -4   22   14 o   17.910   0.4829   18.170   0.6568   17.640   0.7081 0.5282000 0.9658000 
1 1 1   -4   22   15 o   3.9880   1.1450   4.7660   1.7400   3.2110   1.4880 1.555000 2.290000 
1 1 1   -4   22   16 o   7.2930   1.1320   8.4720   1.3380   6.1140   1.8260 2.358000 2.264000 
1 1 1   -4   22   17 o   3.4140   1.0910   3.5990   1.5790   3.2290   1.5060 0.3697000 2.182000 
1 1 1   -4   22   18 o   10.470   0.8085   9.8810   1.1560   11.050   1.1300 -1.172000 1.617000 
1 1 1   -4   22   19 o   5.4870   1.2810   4.8370   1.7700   6.1370   1.8520 -1.300000 2.562000 
1 1 1   -4   22   20 o   15.760   0.5860   16.350   0.7500   15.170   0.9005 1.176000 1.172000 
1 1 1   -4   22   21 o   6.6220   1.3510   8.4620   1.8370   4.7830   1.9830 3.679000 2.703000 
1 1 1   -4   22   22 o   3.4230   1.1140   3.5030   1.5930   3.3440   1.5570 0.1596000 2.227000 
1 1 1   -4   22   23 o   11.470   0.9574   12.300   1.1530   10.640   1.5290 1.662000 1.915000 
1 1 1   -4   22   24 f   12.210   0.8478   12.650   1.1180   11.780   1.2740 0.8641000 1.696000 
1 1 1   -4   22   25 o   8.7100   1.1710   7.0500   1.8720   10.370   1.4060 -3.319000 2.341000 
1 1 1   -4   22   26 o   4.3500   1.3410   4.6640   1.9420   4.0370   1.8490 0.6273000 2.681000 
1 1 1   -4   22   27 o   3.8420   1.2260   4.5930   1.9300   3.0920   1.5140 1.500000 2.453000 
1 1 1   -4   22   28 o   4.0540   1.2900   4.0500   1.8170   4.0570   1.8310 -0.6435000E-02 2.580000 
1 1 1   -4   22   29 o   2.8790   1.0060   3.1490   1.5250   2.6080   1.3120 0.5406000 2.012000 
1 1 1   -4   24    1 o   9.3580   1.0190   10.810   1.1200   7.9060   1.7020 2.904000 2.037000 
1 1 1   -4   24    2 o   23.630   0.4066   23.550   0.5961   23.710   0.5533 -0.1671000 0.8133000 
1 1 1   -4   24    3 o   22.150   0.4005   21.910   0.5561   22.390   0.5767 -0.4807000 0.8011000 
1 1 1   -4   24    4 o   21.120   0.4538   21.350   0.5644   20.890   0.7107 0.4654000 0.9075000 
1 1 1   -4   24    5 o   15.020   0.5607   14.490   0.7709   15.550   0.8146 -1.060000 1.121000 
1 1 1   -4   24    6 o   17.960   0.4834   17.640   0.6527   18.280   0.7132 -0.6404000 0.9668000 
1 1 1   -4   24    7 o   21.180   0.4229   21.440   0.5649   20.910   0.6296 0.5338000 0.8459000 
1 1 1   -4   24    8 f   18.540   0.4657   17.870   0.6469   19.220   0.6701 -1.351000 0.9314000 
1 1 1   -4   24    9 o   13.040   0.6380   13.050   0.8512   13.020   0.9506 0.3224000E-01 1.276000 
1 1 1   -4   24   10 o   4.5650   1.2110   4.9820   1.7020   4.1490   1.7240 0.8333000 2.422000 
1 1 1   -4   24   11 o   9.6370   0.8496   9.4150   1.1240   9.8580   1.2740 -0.4422000 1.699000 
1 1 1   -4   24   12 o   18.110   0.4734   18.130   0.6187   18.100   0.7168 0.2982000E-01 0.9469000 
1 1 1   -4   24   13 o   5.2470   1.2620   5.1300   1.7280   5.3640   1.8400 -0.2342000 2.524000 
1 1 1   -4   24   14 o   16.480   0.5291   17.280   0.6643   15.690   0.8238 1.586000 1.058000 
1 1 1   -4   24   15 o   7.8420   1.0910   6.7440   1.6490   8.9400   1.4290 -2.196000 2.181000 
1 1 1   -4   24   16 o   13.900   0.6380   12.930   0.9185   14.860   0.8857 -1.932000 1.276000 
1 1 1   -4   24   17 o   18.980   0.5029   18.320   0.7040   19.650   0.7182 -1.325000 1.006000 
1 1 1   -4   24   18 o   8.6610   1.3570   8.7270   1.8730   8.5960   1.9640 0.1312000 2.714000 
1 1 1   -4   24   19 o   5.3770   1.4780   5.7390   2.1400   5.0150   2.0390 0.7243000 2.956000 
1 1 1   -4   24   20 o   10.030   1.0240   10.580   1.2700   9.4790   1.6060 1.102000 2.047000 
1 1 1   -4   24   21 o   6.0270   1.3570   7.4570   1.8790   4.5980   1.9580 2.860000 2.714000 
1 1 1   -4   24   22 o   4.4680   1.2440   5.5780   1.9150   3.3580   1.5890 2.220000 2.488000 
1 1 1   -4   24   23 o   7.5910   1.2860   6.1690   1.9640   9.0120   1.6620 -2.843000 2.573000 
1 1 1   -4   24   24 o   6.3350   1.5110   6.1580   2.0790   6.5120   2.1940 -0.3536000 3.023000 
1 1 1   -4   24   25 o   7.4120   1.3020   9.9200   1.6510   4.9040   2.0140 5.016000 2.604000 
1 1 1   -4   24   26 o   3.1820   1.0880   3.0530   1.5060   3.3120   1.5710 -0.2586000 2.176000 
1 1 1   -4   24   27 o   2.1330   0.7811   2.4650   1.2540   1.8020   0.9322 0.6625000 1.562000 
1 1 1   -4   26    1 o   16.250   0.4973   16.760   0.6739   15.750   0.7315 1.015000 0.9946000 
1 1 1   -4   26    2 o   10.710   0.7297   10.590   1.0230   10.830   1.0400 -0.2348000 1.459000 
1 1 1   -4   26    3 o   9.3410   0.8472   8.6430   1.2650   10.040   1.1270 -1.397000 1.694000 
1 1 1   -4   26    4 o   16.520   0.5422   16.480   0.6873   16.570   0.8388 -0.8908000E-01 1.084000 
1 1 1   -4   26    5 o   22.700   0.4112   22.960   0.5532   22.450   0.6084 0.5039000 0.8224000 
1 1 1   -4   26    6 o   22.550   0.4165   21.930   0.5706   23.160   0.6068 -1.231000 0.8330000 
1 1 1   -4   26    7 o   4.9640   1.2310   5.8160   1.7490   4.1110   1.7340 1.705000 2.463000 
1 1 1   -4   26    8 o   14.400   0.5970   15.050   0.7579   13.750   0.9227 1.298000 1.194000 
1 1 1   -4   26    9 o   16.900   0.5256   17.680   0.6756   16.120   0.8054 1.558000 1.051000 
1 1 1   -4   26   10 o   8.6450   0.9864   7.2320   1.5360   10.060   1.2380 -2.825000 1.973000 
1 1 1   -4   26   11 o   10.940   0.7861   11.130   1.0240   10.750   1.1930 0.3853000 1.572000 
1 1 1   -4   26   12 o   19.400   0.4703   18.900   0.6366   19.890   0.6924 -0.9904000 0.9406000 
1 1 1   -4   26   13 o   9.2730   0.9494   9.0070   1.2710   9.5380   1.4110 -0.5310000 1.899000 
1 1 1   -4   26   14 o   10.920   0.9929   10.790   1.3140   11.040   1.4890 -0.2542000 1.986000 
1 1 1   -4   26   15 o   4.8370   1.3760   5.4450   2.0180   4.2290   1.8720 1.216000 2.752000 
1 1 1   -4   26   16 o   10.770   1.0420   11.450   1.3710   10.100   1.5690 1.349000 2.083000 
1 1 1   -4   26   17 o   4.8560   1.3040   5.4800   1.8860   4.2310   1.8010 1.249000 2.608000 
1 1 1   -4   26   18 o   3.4970   1.1640   3.2210   1.5390   3.7730   1.7480 -0.5525000 2.328000 
1 1 1   -4   26   19 o   4.2750   1.3170   4.7210   1.9460   3.8290   1.7740 0.8919000 2.633000 
1 1 1   -4   26   20 o   4.8600   1.2530   3.0540   1.5140   6.6660   1.9970 -3.611000 2.506000 
1 1 1   -4   26   21 o   3.6410   1.2150   3.8500   1.8180   3.4330   1.6140 0.4173000 2.431000 
1 1 1   -4   26   22 o   4.2330   1.3850   5.0540   2.2320   3.4110   1.6410 1.642000 2.770000 
1 1 1   -4   26   23 o   5.3060   1.5530   5.5540   2.3380   5.0580   2.0440 0.4965000 3.106000 
1 1 1   -4   26   24 o   3.3120   1.1280   2.7770   1.3940   3.8460   1.7750 -1.069000 2.257000 
1 1 1   -4   26   25 o   2.9570   1.0280   2.9380   1.4450   2.9750   1.4620 -0.3710000E-01 2.056000 
1 1 1   -4   28    1 o   8.6040   0.9861   8.5620   1.3650   8.6470   1.4230 -0.8527000E-01 1.972000 
1 1 1   -4   28    2 o   9.1700   0.9106   9.5430   1.1980   8.7970   1.3710 0.7456000 1.821000 
1 1 1   -4   28    3 o   4.2980   1.2220   4.0760   1.6840   4.5200   1.7720 -0.4442000 2.444000 
1 1 1   -4   28    4 f   13.990   0.6256   14.170   0.8215   13.820   0.9437 0.3451000 1.251000 
1 1 1   -4   28    5 o   8.6170   1.0510   7.0430   1.6370   10.190   1.3180 -3.147000 2.101000 
1 1 1   -4   28    6 o   6.6960   1.2620   6.9690   1.6830   6.4230   1.8810 0.5462000 2.524000 
1 1 1   -4   28    7 o   11.650   0.7700   11.700   1.0240   11.590   1.1500 0.1060000 1.540000 
1 1 1   -4   28    8 o   5.4000   1.1960   3.6420   1.6120   7.1580   1.7670 -3.515000 2.392000 
1 1 1   -4   28    9 o   5.0330   1.3840   4.4670   1.8620   5.5990   2.0500 -1.132000 2.769000 
1 1 1   -4   28   10 o   4.7700   1.3310   3.7520   1.7010   5.7880   2.0470 -2.035000 2.662000 
1 1 1   -4   28   11 o   8.1430   1.4250   9.8080   1.9300   6.4780   2.0970 3.330000 2.850000 
1 1 1   -4   28   12 o   14.380   0.7735   13.690   1.1250   15.070   1.0610 -1.388000 1.547000 
1 1 1   -4   28   13 o   2.8210   0.9729   2.9760   1.4280   2.6670   1.3220 0.3086000 1.946000 
1 1 1   -4   28   14 o   3.8190   1.2500   4.0340   1.8510   3.6040   1.6810 0.4299000 2.501000 
1 1 1   -4   28   15 o   4.9460   1.4350   5.4860   2.1470   4.4050   1.9050 1.081000 2.871000 
1 1 1   -4   28   16 o   4.3670   1.3480   5.4420   2.1910   3.2920   1.5710 2.150000 2.696000 
1 1 1   -4   28   17 o   4.5660   1.3940   4.7070   2.0680   4.4240   1.8680 0.2830000 2.787000 
1 1 1   -4   28   18 o   5.7550   1.4110   4.6860   2.0460   6.8250   1.9440 -2.139000 2.823000 
1 1 1   -4   28   19 o   4.1900   1.3090   3.6780   1.7080   4.7030   1.9850 -1.026000 2.618000 
1 1 1   -4   28   20 o   4.3920   1.3600   4.6030   1.9860   4.1820   1.8580 0.4209000 2.720000 
1 1 1   -4   28   21 o   2.6550   0.9269   3.1640   1.4970   2.1460   1.0930 1.018000 1.854000 
1 1 1   -4   28   22 o   2.8580   1.0020   2.4400   1.2330   3.2770   1.5790 -0.8363000 2.003000 
1 1 1   -4   28   23 o   1.8560   0.6841   1.8060   0.9411   1.9070   0.9932 -0.1012000 1.368000 
1 1 1   -4   30    1 o   12.000   0.8621   11.610   1.2570   12.400   1.1800 -0.7969000 1.724000 
1 1 1   -4   30    2 o   12.820   0.8207   13.190   1.1230   12.450   1.1970 0.7410000 1.641000 
1 1 1   -4   30    3 o   4.3240   1.2410   2.8680   1.4120   5.7810   2.0410 -2.913000 2.482000 
1 1 1   -4   30    4 o   8.8310   1.2750   7.7340   1.9110   9.9280   1.6880 -2.195000 2.550000 
1 1 1   -4   30    5 f   5.8580   1.4440   4.7340   1.9470   6.9820   2.1340 -2.248000 2.889000 
1 1 1   -4   30    6 o   7.3450   1.3910   5.7480   2.0820   8.9420   1.8440 -3.194000 2.782000 
1 1 1   -4   30    7 o   12.470   1.0040   12.920   1.4890   12.010   1.3460 0.9090000 2.008000 
1 1 1   -4   30    8 o   6.3890   1.5510   7.1730   2.3030   5.6040   2.0770 1.569000 3.102000 
1 1 1   -4   30    9 o   13.120   0.9475   13.890   1.3850   12.340   1.2930 1.556000 1.895000 
1 1 1   -4   30   10 o   5.0000   1.3540   3.5300   1.6970   6.4710   2.1100 -2.941000 2.708000 
1 1 1   -4   30   11 o   4.1610   1.2440   3.1080   1.5400   5.2140   1.9540 -2.107000 2.488000 
1 1 1   -4   30   12 o   11.620   0.9062   12.100   1.2950   11.150   1.2680 0.9548000 1.812000 
1 1 1   -4   30   13 o   3.9540   1.2060   3.0460   1.4620   4.8630   1.9180 -1.817000 2.412000 
1 1 1   -4   30   14 o   8.2580   1.2010   8.6670   1.5520   7.8500   1.8330 0.8175000 2.402000 
1 1 1   -4   30   15 o   3.9440   1.2640   3.9410   1.7680   3.9470   1.8080 -0.6354000E-02 2.529000 
1 1 1   -4   30   16 o   4.6260   1.3290   5.5760   2.0220   3.6770   1.7260 1.899000 2.659000 
1 1 1   -4   30   17 o   2.8930   1.0070   2.9230   1.4310   2.8630   1.4180 0.5980000E-01 2.014000 
1 1 1   -4   30   18 o   2.4180   0.8579   2.2410   1.1320   2.5950   1.2890 -0.3536000 1.716000 
1 1 1   -4   30   19 o   3.1980   1.0930   2.7980   1.3860   3.5990   1.6890 -0.8012000 2.185000 
1 1 1   -4   30   20 o   1.9900   1.0350  ?   ?    1.9900   1.0350      ?      ? 
1 1 1   -4   32    1 o   4.2360   1.3070   3.9310   1.8390   4.5400   1.8580 -0.6085000 2.614000 
1 1 1   -4   32    2 o   3.7050   1.2300   4.1930   1.9250   3.2160   1.5300 0.9769000 2.459000 
1 1 1   -4   32    3 o   3.8260   1.2490   3.2790   1.6100   4.3720   1.9100 -1.093000 2.499000 
1 1 1   -4   32    4 o   3.7310   1.2340   4.0660   1.8840   3.3960   1.5960 0.6701000 2.469000 
1 1 1   -4   32    5 o   12.010   0.8280   11.020   1.2190   12.990   1.1210 -1.975000 1.656000 
1 1 1   -4   32    6 o   14.480   0.6902   14.990   0.8995   13.960   1.0470 1.036000 1.380000 
1 1 1   -4   32    7 o   9.4590   1.0870   8.1720   1.6840   10.750   1.3750 -2.573000 2.174000 
1 1 1   -4   32    8 o   7.3440   1.2720   8.5020   1.5750   6.1860   1.9980 2.316000 2.544000 
1 1 1   -4   32    9 o   5.1830   1.3520   5.3460   1.8780   5.0190   1.9450 0.3268000 2.703000 
1 1 1   -4   32   10 o   3.2380   1.1010   3.0660   1.4840   3.4090   1.6270 -0.3430000 2.202000 
1 1 1   -4   32   11 o   3.7510   1.2100   3.7420   1.7000   3.7590   1.7230 -0.1639000E-01 2.420000 
1 1 1   -4   32   12 o   3.3380   1.1210   3.0810   1.4870   3.5960   1.6780 -0.5145000 2.242000 
1 1 1   -4   32   13 o   4.6520   1.2710   3.8920   1.6910   5.4120   1.8980 -1.520000 2.542000 
1 1 1   -4   32   14 o   2.7550   0.9674   2.6050   1.3010   2.9050   1.4320 -0.2993000 1.935000 
1 1 1   -4   32   15 o   3.2530   1.0900   3.7960   1.7140   2.7090   1.3460 1.087000 2.179000 
1 1 1   -4   32   16 o   1.6850   0.8782  ?   ?    1.6850   0.8782      ?      ? 
1 1 1   -4   34    1 o   4.6430   1.3450   5.1070   1.9700   4.1800   1.8310 0.9277000 2.690000 
1 1 1   -4   34    2 o   3.0810   1.0530   2.5130   1.2620   3.6480   1.6870 -1.135000 2.107000 
1 1 1   -4   34    3 o   3.4180   1.1580   2.9140   1.4250   3.9230   1.8260 -1.009000 2.316000 
1 1 1   -4   34    4 o   3.3540   1.1230   3.2840   1.5610   3.4250   1.6160 -0.1411000 2.247000 
1 1 1   -4   34    5 o   6.0280   1.3650   6.8340   1.9560   5.2210   1.9040 1.613000 2.730000 
1 1 1   -4   34    6 o   2.4110   0.8549   2.3660   1.1890   2.4550   1.2290 -0.8871000E-01 1.710000 
1 1 1   -4   34    7 o   2.4380   0.8711   2.3120   1.1740   2.5640   1.2870 -0.2517000 1.742000 
1 1 1   -4   34    8 o   3.0000   1.0500   3.5850   1.7090   2.4150   1.2210 1.170000 2.100000 
1 1 1   -4   34    9 o   2.1920   0.7909   2.2770   1.1560   2.1080   1.0800 0.1687000 1.582000 
1 1 1   -3    1    1 o  158.200   0.9940  159.100   1.4130  157.400   1.3990 1.686000 1.988000 
1 1 1   -3    1    2 o   55.220   0.3762   55.070   0.4911   55.370   0.5700 -0.2970000 0.7524000 
1 1 1   -3    1    3 o   78.150   0.4915   78.030   0.6941   78.280   0.6959 -0.2550000 0.9829000 
1 1 1   -3    1    4 o   42.030   0.3101   41.740   0.4357   42.330   0.4413 -0.5894000 0.6201000 
1 1 1   -3    1    5 o   20.800   0.2242   20.600   0.3121   21.010   0.3220 -0.4088000 0.4484000 
1 1 1   -3    1    6 o   66.390   0.4201   66.390   0.5939   66.390   0.5942 -0.4745000E-02 0.8402000 
1 1 1   -3    1    7 o   62.340   0.3958   62.490   0.5608   62.190   0.5586 0.3016000 0.7916000 
1 1 1   -3    1    8 f   65.230   0.4146   65.570   0.5891   64.880   0.5835 0.6887000 0.8292000 
1 1 1   -3    1    9 o   38.130   0.2574   38.080   0.3635   38.170   0.3645 -0.8857000E-01 0.5147000 
1 1 1   -3    1   10 o   60.710   0.5519   61.390   0.7893   60.020   0.7717 1.371000 1.104000 
1 1 1   -3    1   11 o   17.350   0.2244   17.150   0.3161   17.540   0.3186 -0.3971000 0.4488000 
1 1 1   -3    1   12 o   16.250   0.2426   16.000   0.3424   16.490   0.3439 -0.4845000 0.4853000 
1 1 1   -3    1   13 o   53.790   0.3536   54.140   0.5026   53.440   0.4974 0.7032000 0.7071000 
1 1 1   -3    1   14 o   44.020   0.3029   44.330   0.4315   43.710   0.4250 0.6209000 0.6057000 
1 1 1   -3    1   15 o   14.080   0.3355   14.180   0.4734   13.980   0.4755 0.1973000 0.6710000 
1 1 1   -3    1   16 o   25.450   0.2725   25.190   0.3867   25.720   0.3840 -0.5308000 0.5450000 
1 1 1   -3    1   17 o   39.960   0.3295   39.710   0.4338   40.200   0.4960 -0.4885000 0.6589000 
1 1 1   -3    1   18 o   16.450   0.4107   15.950   0.5827   16.940   0.5789 -0.9961000 0.8214000 
1 1 1   -3    1   19 o   27.490   0.4330   26.670   0.6185   28.310   0.6060 -1.635000 0.8659000 
1 1 1   -3    1   20 o   30.140   0.3321   30.240   0.4669   30.030   0.4724 0.2167000 0.6642000 
1 1 1   -3    1   21 o   28.460   0.3395   28.400   0.4738   28.530   0.4863 -0.1275000 0.6789000 
1 1 1   -3    1   22 o   24.360   0.4031   23.740   0.5213   24.980   0.6150 -1.232000 0.8062000 
1 1 1   -3    1   23 o   34.950   0.3356   34.750   0.4724   35.150   0.4769 -0.3969000 0.6713000 
1 1 1   -3    1   24 o   6.6300   1.4370   6.6220   2.0320   6.6390   2.0330 -0.1714000E-01 2.874000 
1 1 1   -3    1   25 o   24.520   0.3517   24.300   0.4933   24.730   0.5015 -0.4335000 0.7035000 
1 1 1   -3    1   26 o   26.050   0.3392   26.200   0.4731   25.900   0.4863 0.2979000 0.6785000 
1 1 1   -3    1   27 o   18.330   0.4092   18.620   0.5699   18.040   0.5874 0.5779000 0.8184000 
1 1 1   -3    1   28 o   9.0830   0.7903   9.8150   0.9883   8.3500   1.2340 1.466000 1.581000 
1 1 1   -3    1   29 o   7.4700   0.9967   9.8330   1.0540   5.1060   1.6920 4.726000 1.993000 
1 1 1   -3    1   30 o   10.880   0.7238   11.460   0.9539   10.300   1.0890 1.161000 1.448000 
1 1 1   -3    1   31 o   3.5030   1.1520   3.7160   1.6830   3.2900   1.5730 0.4256000 2.304000 
1 1 1   -3    1   32 o   4.6790   1.3830   4.1800   1.8690   5.1780   2.0400 -0.9973000 2.766000 
1 1 1   -3    1   33 o   9.1130   1.0300   9.4540   1.3600   8.7720   1.5480 0.6819000 2.060000 
1 1 1   -3    1   34 o   8.1970   1.2350   8.6330   1.6680   7.7600   1.8230 0.8737000 2.471000 
1 1 1   -3    1   35 o   6.6550   1.3130   8.9720   1.8640   4.3390   1.8490 4.633000 2.626000 
1 1 1   -3    1   36 o   6.2330   1.6320   4.9960   2.1640   7.4700   2.4430 -2.474000 3.264000 
1 1 1   -3    1   37 o   10.020   1.0090   9.9910   1.4450   10.050   1.4090 -0.5458000E-01 2.018000 
1 1 1   -3    3    1 o   16.230   0.1824   16.030   0.2066   16.430   0.3006 -0.3933000 0.3648000 
1 1 1   -3    3    2 o  101.000   0.7335  100.800   1.0360  101.100   1.0390 -0.2899000 1.467000 
1 1 1   -3    3    3 o   63.990   0.4679   63.750   0.6593   64.240   0.6641 -0.4952000 0.9358000 
1 1 1   -3    3    4 o   79.260   0.7080   79.580   1.0050   78.930   0.9972 0.6487000 1.416000 
1 1 1   -3    3    5 o   75.120   0.4749   75.060   0.6712   75.180   0.6722 -0.1273000 0.9499000 
1 1 1   -3    3    6 o   84.380   0.5324   84.580   0.7547   84.180   0.7513 0.4050000 1.065000 
1 1 1   -3    3    7 o  149.100   0.9373  149.600   1.3300  148.600   1.3210 0.9767000 1.875000 
1 1 1   -3    3    8 f   62.980   0.4025   63.280   0.5714   62.680   0.5669 0.6010000 0.8049000 
1 1 1   -3    3    9 o   81.740   0.5995   82.160   0.8517   81.320   0.8437 0.8486000 1.199000 
1 1 1   -3    3   10 o   40.650   0.3908   40.760   0.5546   40.550   0.5508 0.2064000 0.7816000 
1 1 1   -3    3   11 o   27.280   0.2239   27.600   0.3172   26.960   0.3159 0.6465000 0.4477000 
1 1 1   -3    3   12 o   15.700   0.2565   15.520   0.3632   15.890   0.3621 -0.3749000 0.5129000 
1 1 1   -3    3   13 o   21.010   0.2425   21.290   0.3381   20.740   0.3478 0.5548000 0.4851000 
1 1 1   -3    3   14 o   28.850   0.2494   28.430   0.3479   29.270   0.3574 -0.8373000 0.4987000 
1 1 1   -3    3   15 o   17.580   0.3006   17.900   0.4180   17.260   0.4321 0.6374000 0.6011000 
1 1 1   -3    3   16 o   50.300   0.3467   50.260   0.4883   50.330   0.4924 -0.7040000E-01 0.6934000 
1 1 1   -3    3   17 o   46.630   0.3631   46.950   0.4735   46.300   0.5507 0.6559000 0.7263000 
1 1 1   -3    3   18 o   47.050   0.3973   47.380   0.5666   46.720   0.5572 0.6578000 0.7946000 
1 1 1   -3    3   19 o   37.630   0.4488   37.370   0.6264   37.890   0.6429 -0.5149000 0.8976000 
1 1 1   -3    3   20 o   29.180   0.3408   29.800   0.4756   28.550   0.4882 1.254000 0.6816000 
1 1 1   -3    3   21 f   25.430   0.3520   25.210   0.4925   25.650   0.5031 -0.4380000 0.7041000 
1 1 1   -3    3   22 o   15.970   0.5010   16.220   0.6771   15.720   0.7386 0.5015000 1.002000 
1 1 1   -3    3   23 f   35.340   0.3885   35.190   0.5315   35.500   0.5668 -0.3068000 0.7770000 
1 1 1   -3    3   24 o   21.180   0.5712   20.870   0.8203   21.500   0.7952 -0.6358000 1.142000 
1 1 1   -3    3   25 o   15.670   0.4699   15.310   0.6546   16.030   0.6743 -0.7112000 0.9398000 
1 1 1   -3    3   26 o   17.470   0.4311   16.890   0.6082   18.050   0.6112 -1.161000 0.8623000 
1 1 1   -3    3   27 o   11.680   0.6069   11.970   0.8174   11.400   0.8973 0.5687000 1.214000 
1 1 1   -3    3   28 o   9.7030   0.7298   9.5410   1.0310   9.8660   1.0330 -0.3254000 1.460000 
1 1 1   -3    3   29 o   2.9870   0.9777   2.7150   1.2890   3.2590   1.4700 -0.5438000 1.955000 
1 1 1   -3    3   30 o   4.7870   1.1570   5.6580   1.6410   3.9150   1.6330 1.743000 2.315000 
1 1 1   -3    3   31 f   8.4450   1.3250   8.3750   1.8280   8.5150   1.9190 -0.1405000 2.650000 
1 1 1   -3    3   32 o   10.860   0.9279   10.730   1.2290   10.990   1.3900 -0.2569000 1.856000 
1 1 1   -3    3   33 o   4.2400   1.2530   3.5690   1.6300   4.9110   1.9040 -1.342000 2.506000 
1 1 1   -3    3   34 o   4.6330   1.2930   3.8770   1.7140   5.3890   1.9360 -1.512000 2.586000 
1 1 1   -3    3   35 o   4.7180   1.4170   4.7750   2.0030   4.6610   2.0050 0.1145000 2.835000 
1 1 1   -3    3   36 o   4.0320   1.2940   3.7290   1.7510   4.3350   1.9060 -0.6056000 2.588000 
1 1 1   -3    3   37 o   2.4370   0.8686   2.6570   1.3220   2.2160   1.1270 0.4413000 1.737000 
1 1 1   -3    5    1 o   19.320   0.2128   19.490   0.3033   19.150   0.2986 0.3401000 0.4256000 
1 1 1   -3    5    2 o   22.670   0.2198   23.020   0.3121   22.320   0.3096 0.6954000 0.4396000 
1 1 1   -3    5    3 o  101.700   0.6412  102.100   0.9100  101.400   0.9037 0.6426000 1.282000 
1 1 1   -3    5    4 o  159.600   1.0030  159.400   1.4160  159.800   1.4200 -0.3840000 2.005000 
1 1 1   -3    5    5 o   56.300   0.3627   56.830   0.5171   55.770   0.5087 1.056000 0.7253000 
1 1 1   -3    5    6 o   77.820   0.4936   78.220   0.7014   77.410   0.6947 0.8067000 0.9872000 
1 1 1   -3    5    7 o   39.330   0.2692   39.340   0.3803   39.310   0.3809 0.2332000E-01 0.5383000 
1 1 1   -3    5    8 o   20.290   0.2964   20.730   0.4627   19.860   0.3706 0.8700000 0.5929000 
1 1 1   -3    5    9 o   51.700   0.4804   51.650   0.6802   51.740   0.6786 -0.8504000E-01 0.9608000 
1 1 1   -3    5   10 o   24.930   0.2254   25.060   0.3166   24.810   0.3210 0.2514000 0.4509000 
1 1 1   -3    5   11 o   32.640   0.2477   32.750   0.3492   32.540   0.3514 0.2119000 0.4954000 
1 1 1   -3    5   12 o   39.820   0.2816   39.990   0.3981   39.650   0.3984 0.3400000 0.5632000 
1 1 1   -3    5   13 o   8.3020   0.5067   8.6320   0.6707   7.9710   0.7596 0.6610000 1.013000 
1 1 1   -3    5   14 o   53.810   0.3596   53.840   0.5077   53.780   0.5095 0.6248000E-01 0.7193000 
1 1 1   -3    5   15 o   27.490   0.2766   27.660   0.3890   27.310   0.3934 0.3511000 0.5532000 
1 1 1   -3    5   16 o   45.940   0.3314   45.760   0.4652   46.130   0.4720 -0.3683000 0.6627000 
1 1 1   -3    5   17 o   38.050   0.3058   38.060   0.4304   38.030   0.4346 0.2068000E-01 0.6117000 
1 1 1   -3    5   18 o   21.950   0.4801   21.730   0.6729   22.180   0.6850 -0.4524000 0.9602000 
1 1 1   -3    5   19 f   25.870   0.4362   25.340   0.6603   26.400   0.5702 -1.062000 0.8724000 
1 1 1   -3    5   20 o   15.020   0.5260   14.450   0.7492   15.590   0.7385 -1.135000 1.052000 
1 1 1   -3    5   21 o   39.970   0.3392   39.950   0.4760   39.990   0.4834 -0.4600000E-01 0.6784000 
1 1 1   -3    5   22 o   30.510   0.3379   30.350   0.4694   30.660   0.4862 -0.3056000 0.6758000 
1 1 1   -3    5   23 o   17.160   0.6752   16.900   0.9469   17.430   0.9628 -0.5234000 1.350000 
1 1 1   -3    5   24 o   11.020   0.7743   10.870   1.1080   11.160   1.0820 -0.2949000 1.549000 
1 1 1   -3    5   25 o   4.3010   1.0980   3.0930   1.4040   5.5100   1.6890 -2.417000 2.196000 
1 1 1   -3    5   26 o   15.400   0.4731   15.590   0.6434   15.200   0.6937 0.3889000 0.9461000 
1 1 1   -3    5   27 o   20.620   0.3793   20.460   0.5340   20.780   0.5387 -0.3242000 0.7585000 
1 1 1   -3    5   28 o   17.920   0.4161   17.480   0.5856   18.350   0.5912 -0.8696000 0.8321000 
1 1 1   -3    5   29 o   12.970   0.5738   12.730   0.8041   13.200   0.8189 -0.4663000 1.148000 
1 1 1   -3    5   30 o   11.290   0.7017   10.110   1.0770   12.460   0.8993 -2.353000 1.403000 
1 1 1   -3    5   31 o   11.240   1.0210   10.870   1.4240   11.610   1.4630 -0.7401000 2.041000 
1 1 1   -3    5   32 o   3.3320   1.0910   3.1400   1.4750   3.5240   1.6080 -0.3838000 2.182000 
1 1 1   -3    5   33 o   4.1450   1.2030   5.1550   1.8800   3.1360   1.5010 2.020000 2.406000 
1 1 1   -3    5   34 o   8.9930   1.1240   7.4890   1.7720   10.500   1.3820 -3.007000 2.247000 
1 1 1   -3    5   35 o   4.0760   1.3540   3.4950   1.7090   4.6580   2.1000 -1.164000 2.707000 
1 1 1   -3    5   36 o   2.5670   0.9049   2.8060   1.3750   2.3280   1.1770 0.4787000 1.810000 
1 1 1   -3    5   37 o   3.1770   1.0710   3.0930   1.4860   3.2610   1.5440 -0.1678000 2.143000 
1 1 1   -3    7    1 o  101.300   0.6385  101.100   0.9013  101.500   0.9046 -0.3656000 1.277000 
1 1 1   -3    7    2 o   43.960   0.2938   44.040   0.4154   43.880   0.4155 0.1589000 0.5876000 
1 1 1   -3    7    3 o   33.480   0.2644   33.350   0.3443   33.620   0.4013 -0.2642000 0.5288000 
1 1 1   -3    7    4 o   13.370   0.2860   13.880   0.3929   12.860   0.4156 1.020000 0.5719000 
1 1 1   -3    7    5 o   53.710   0.3514   53.640   0.4961   53.780   0.4977 -0.1462000 0.7028000 
1 1 1   -3    7    6 o   90.730   0.6648   90.610   0.9386   90.850   0.9416 -0.2367000 1.330000 
1 1 1   -3    7    7 o   50.310   0.4721   50.870   0.6742   49.740   0.6610 1.125000 0.9442000 
1 1 1   -3    7    8 o   18.010   0.2919   18.080   0.4129   17.940   0.4129 0.1366000 0.5839000 
1 1 1   -3    7    9 o   31.840   0.2493   32.110   0.3519   31.570   0.3533 0.5424000 0.4986000 
1 1 1   -3    7   10 o   19.100   0.2586   18.940   0.3625   19.260   0.3690 -0.3175000 0.5173000 
1 1 1   -3    7   11 o   25.430   0.2873   26.550   0.3940   24.320   0.4182 2.228000 0.5746000 
1 1 1   -3    7   12 o   11.620   0.3994   12.170   0.5319   11.070   0.5961 1.098000 0.7989000 
1 1 1   -3    7   13 o   3.8820   0.9412   4.5790   1.3360   3.1860   1.3260 1.393000 1.882000 
1 1 1   -3    7   14 o   84.610   0.5429   84.660   0.7679   84.550   0.7678 0.1105000 1.086000 
1 1 1   -3    7   15 o   5.1060   0.9764   7.1950   1.3570   3.0180   1.4050 4.176000 1.953000 
1 1 1   -3    7   16 o   37.130   0.3076   36.910   0.4294   37.350   0.4405 -0.4415000 0.6152000 
1 1 1   -3    7   17 o   23.670   0.4545   22.390   0.5967   24.940   0.6857 -2.550000 0.9089000 
1 1 1   -3    7   18 o   28.640   0.4580   27.240   0.6203   30.030   0.6740 -2.794000 0.9160000 
1 1 1   -3    7   19 o   13.610   0.5874   13.690   0.7933   13.520   0.8666 0.1681000 1.175000 
1 1 1   -3    7   20 o   8.8920   0.8838   8.2380   1.2950   9.5450   1.2030 -1.307000 1.768000 
1 1 1   -3    7   21 o   5.5630   1.2080   6.2160   1.6410   4.9100   1.7730 1.306000 2.415000 
1 1 1   -3    7   22 o   14.620   0.6352   15.460   0.7685   13.780   1.0120 1.679000 1.270000 
1 1 1   -3    7   23 o   6.8110   1.3550   7.7730   1.9210   5.8500   1.9110 1.922000 2.709000 
1 1 1   -3    7   24 o   21.780   0.3735   21.880   0.4960   21.680   0.5585 0.1999000 0.7470000 
1 1 1   -3    7   25 o   14.670   0.5053   14.300   0.6885   15.030   0.7396 -0.7328000 1.011000 
1 1 1   -3    7   26 o   10.370   0.6852   9.1940   1.0430   11.550   0.8890 -2.355000 1.370000 
1 1 1   -3    7   27 o   3.4240   1.0110   4.4000   1.6290   2.4480   1.1960 1.952000 2.021000 
1 1 1   -3    7   28 o   6.1290   1.1120   5.9300   1.5620   6.3290   1.5840 -0.3988000 2.225000 
1 1 1   -3    7   29 o   11.560   0.6505   12.030   0.8488   11.080   0.9860 0.9515000 1.301000 
1 1 1   -3    7   30 o   10.550   0.8805   9.9980   1.2730   11.090   1.2170 -1.096000 1.761000 
1 1 1   -3    7   31 o   3.8810   1.2590   3.9860   1.8060   3.7760   1.7540 0.2100000 2.518000 
1 1 1   -3    7   32 o   7.2920   1.2460   7.1180   1.7890   7.4670   1.7340 -0.3487000 2.491000 
1 1 1   -3    7   33 o   8.6140   1.1470   8.2180   1.7180   9.0090   1.5180 -0.7906000 2.293000 
1 1 1   -3    7   34 o   4.0050   1.2350   3.5410   1.6180   4.4700   1.8650 -0.9290000 2.469000 
1 1 1   -3    7   35 o   3.5320   1.2170   3.0190   1.5050   4.0450   1.9140 -1.026000 2.435000 
1 1 1   -3    7   36 o   2.4470   0.8680   2.3410   1.1800   2.5520   1.2730 -0.2108000 1.736000 
1 1 1   -3    7   37 o   2.7460   1.4090   2.7460   1.4090  ?   ?       ?      ? 
1 1 1   -3    9    1 o   83.360   0.6122   82.830   0.8605   83.890   0.8711 -1.057000 1.224000 
1 1 1   -3    9    2 o   70.650   0.5226   70.230   0.7349   71.060   0.7433 -0.8234000 1.045000 
1 1 1   -3    9    3 o   51.540   0.3948   51.060   0.5537   52.010   0.5628 -0.9441000 0.7895000 
1 1 1   -3    9    4 o   57.480   0.5318   56.980   0.7457   57.980   0.7584 -1.008000 1.064000 
1 1 1   -3    9    5 o   27.490   0.3159   26.830   0.3983   28.150   0.4905 -1.318000 0.6319000 
1 1 1   -3    9    6 o   22.560   0.2862   22.270   0.4068   22.850   0.4026 -0.5794000 0.5723000 
1 1 1   -3    9    7 o   58.880   0.3864   59.100   0.5480   58.660   0.5449 0.4341000 0.7728000 
1 1 1   -3    9    8 o   43.250   0.3037   43.340   0.4286   43.170   0.4305 0.1766000 0.6075000 
1 1 1   -3    9    9 o   4.6160   0.9097   5.4570   1.2010   3.7740   1.3660 1.683000 1.819000 
1 1 1   -3    9   10 o   18.700   0.3186   19.350   0.4665   18.050   0.4339 1.300000 0.6371000 
1 1 1   -3    9   11 o   46.520   0.3256   46.890   0.4622   46.160   0.4587 0.7264000 0.6512000 
1 1 1   -3    9   12 o   90.860   0.5809   90.550   0.8185   91.170   0.8245 -0.6195000 1.162000 
1 1 1   -3    9   13 o   74.440   0.4845   74.500   0.6851   74.370   0.6852 0.1329000 0.9689000 
1 1 1   -3    9   14 o   46.660   0.3406   47.200   0.4835   46.120   0.4800 1.081000 0.6813000 
1 1 1   -3    9   15 o   50.560   0.3612   50.410   0.5074   50.710   0.5141 -0.2990000 0.7224000 
1 1 1   -3    9   16 o   21.910   0.4653   21.970   0.6552   21.850   0.6610 0.1199000 0.9306000 
1 1 1   -3    9   17 o   30.340   0.3736   30.650   0.5205   30.030   0.5361 0.6158000 0.7472000 
1 1 1   -3    9   18 o   20.610   0.4204   20.360   0.5952   20.870   0.5939 -0.5160000 0.8408000 
1 1 1   -3    9   19 o   12.700   0.6515   13.920   0.8112   11.480   1.0200 2.446000 1.303000 
1 1 1   -3    9   20 o   33.150   0.3360   32.880   0.4696   33.420   0.4808 -0.5375000 0.6721000 
1 1 1   -3    9   21 o   7.7310   1.1890   8.1770   1.4430   7.2840   1.8910 0.8932000 2.378000 
1 1 1   -3    9   22 o   24.380   0.5367   24.740   0.7164   24.020   0.7995 0.7177000 1.073000 
1 1 1   -3    9   23 o   5.6020   1.1760   4.7450   1.6770   6.4600   1.6490 -1.715000 2.352000 
1 1 1   -3    9   24 o   16.190   0.4597   15.900   0.6218   16.470   0.6773 -0.5647000 0.9194000 
1 1 1   -3    9   25 o   11.060   0.6489   11.210   0.8701   10.910   0.9628 0.3011000 1.298000 
1 1 1   -3    9   26 o   6.8470   1.0430   7.4280   1.3260   6.2670   1.6090 1.161000 2.085000 
1 1 1   -3    9   27 o   9.1630   0.8058   8.7970   1.1480   9.5290   1.1310 -0.7320000 1.612000 
1 1 1   -3    9   28 o   26.610   0.3516   26.730   0.4841   26.490   0.5102 0.2399000 0.7033000 
1 1 1   -3    9   29 o   10.820   0.7504   9.7670   1.1210   11.870   0.9982 -2.099000 1.501000 
1 1 1   -3    9   30 o   8.1500   1.3380   6.7840   1.9900   9.5160   1.7890 -2.732000 2.676000 
1 1 1   -3    9   31 o   4.0680   1.2230   4.7460   1.8500   3.3910   1.6000 1.355000 2.446000 
1 1 1   -3    9   32 o   3.7950   1.1790   3.3140   1.5410   4.2760   1.7860 -0.9615000 2.359000 
1 1 1   -3    9   33 o   4.3380   1.2930   4.8140   1.9090   3.8620   1.7450 0.9518000 2.586000 
1 1 1   -3    9   34 o   5.3260   1.4610   5.4090   1.9910   5.2420   2.1390 0.1674000 2.922000 
1 1 1   -3    9   35 o   2.9420   1.0260   3.2310   1.5620   2.6530   1.3310 0.5778000 2.053000 
1 1 1   -3    9   36 o   2.3970   0.8527   2.4220   1.2170   2.3710   1.1950 0.5161000E-01 1.705000 
1 1 1   -3   11    1 o   40.340   0.3116   39.910   0.4042   40.770   0.4744 -0.8547000 0.6233000 
1 1 1   -3   11    2 o   56.170   0.3704   56.290   0.5244   56.050   0.5232 0.2359000 0.7408000 
1 1 1   -3   11    3 o   22.420   0.2630   22.320   0.3727   22.520   0.3713 -0.1968000 0.5261000 
1 1 1   -3   11    4 o   20.300   0.3466   20.380   0.5664   20.220   0.3995 0.1551000 0.6932000 
1 1 1   -3   11    5 o   38.310   0.2863   38.360   0.4035   38.260   0.4062 0.9778000E-01 0.5725000 
1 1 1   -3   11    6 o   40.940   0.2992   40.850   0.4222   41.020   0.4240 -0.1752000 0.5984000 
1 1 1   -3   11    7 o   45.780   0.3224   45.920   0.4563   45.650   0.4555 0.2694000 0.6447000 
1 1 1   -3   11    8 o   69.400   0.4519   69.490   0.6400   69.300   0.6383 0.1926000 0.9039000 
1 1 1   -3   11    9 o   14.610   0.3937   14.790   0.5402   14.440   0.5728 0.3500000 0.7874000 
1 1 1   -3   11   10 o   25.510   0.2940   25.770   0.4097   25.260   0.4219 0.5108000 0.5881000 
1 1 1   -3   11   11 o   5.7880   1.0150   6.6910   1.3000   4.8850   1.5590 1.806000 2.030000 
1 1 1   -3   11   12 o   69.000   0.4551   69.080   0.6440   68.910   0.6433 0.1735000 0.9102000 
1 1 1   -3   11   13 o   14.730   0.4752   15.350   0.6347   14.100   0.7074 1.248000 0.9503000 
1 1 1   -3   11   14 o   28.960   0.3929   28.920   0.5572   29.000   0.5540 -0.8789000E-01 0.7857000 
1 1 1   -3   11   15 f   36.730   0.4720   36.970   0.6571   36.490   0.6779 0.4840000 0.9441000 
1 1 1   -3   11   16 o   17.520   0.5340   17.120   0.7242   17.920   0.7850 -0.8009000 1.068000 
1 1 1   -3   11   17 o   27.620   0.3691   27.850   0.5074   27.390   0.5361 0.4603000 0.7381000 
1 1 1   -3   11   18 o   22.490   0.4110   22.080   0.5732   22.890   0.5892 -0.8180000 0.8220000 
1 1 1   -3   11   19 o   28.280   0.3589   28.620   0.4881   27.950   0.5264 0.6654000 0.7178000 
1 1 1   -3   11   20 o   17.270   0.5603   17.210   0.7437   17.330   0.8382 -0.1220000 1.121000 
1 1 1   -3   11   21 o   37.410   0.4869   37.360   0.6755   37.470   0.7014 -0.1112000 0.9738000 
1 1 1   -3   11   22 o   20.570   0.4517   20.670   0.6317   20.470   0.6457 0.1934000 0.9034000 
1 1 1   -3   11   23 o   9.7710   0.7480   10.360   0.9346   9.1870   1.1680 1.168000 1.496000 
1 1 1   -3   11   24 o   10.120   0.7237   10.710   0.9134   9.5400   1.1230 1.170000 1.447000 
1 1 1   -3   11   25 o   8.6510   0.9005   10.030   0.9869   7.2760   1.5070 2.749000 1.801000 
1 1 1   -3   11   26 o   4.9600   1.1850   4.9940   1.6420   4.9260   1.7080 0.6815000E-01 2.370000 
1 1 1   -3   11   27 o   16.850   0.4570   16.630   0.6153   17.070   0.6758 -0.4416000 0.9140000 
1 1 1   -3   11   28 o   7.1230   1.0920   6.8930   1.5240   7.3520   1.5650 -0.4594000 2.184000 
1 1 1   -3   11   29 o   10.810   0.8962   10.510   1.2940   11.110   1.2410 -0.6013000 1.792000 
1 1 1   -3   11   30 o   4.5600   1.2800   4.0490   1.6870   5.0710   1.9250 -1.022000 2.559000 
1 1 1   -3   11   31 o   4.0780   1.2110   4.4710   1.7630   3.6860   1.6610 0.7855000 2.422000 
1 1 1   -3   11   32 o   3.6500   1.1570   3.9040   1.6860   3.3960   1.5860 0.5084000 2.314000 
1 1 1   -3   11   33 o   4.2470   1.3280   4.1360   1.8300   4.3580   1.9250 -0.2220000 2.656000 
1 1 1   -3   11   34 o   3.8470   1.2530   3.7350   1.7340   3.9590   1.8090 -0.2242000 2.506000 
1 1 1   -3   11   35 o   2.4630   0.8724   2.3460   1.1820   2.5790   1.2830 -0.2334000 1.745000 
1 1 1   -3   13    1 o   19.730   0.3038   19.550   0.4321   19.900   0.4272 -0.3573000 0.6076000 
1 1 1   -3   13    2 o   63.440   0.4159   63.350   0.5875   63.530   0.5889 -0.1765000 0.8319000 
1 1 1   -3   13    3 o   72.720   0.4707   72.830   0.6666   72.610   0.6647 0.2286000 0.9414000 
1 1 1   -3   13    4 o   73.030   0.4737   73.910   0.6767   72.160   0.6631 1.749000 0.9474000 
1 1 1   -3   13    5 o   49.820   0.3462   49.810   0.4881   49.840   0.4910 -0.3650000E-01 0.6923000 
1 1 1   -3   13    6 o   62.280   0.4133   62.610   0.5862   61.960   0.5826 0.6582000 0.8265000 
1 1 1   -3   13    7 o   88.140   0.5659   87.990   0.7991   88.290   0.8014 -0.2935000 1.132000 
1 1 1   -3   13    8 o   45.620   0.3352   45.250   0.4697   45.990   0.4784 -0.7469000 0.6704000 
1 1 1   -3   13    9 o   36.450   0.3395   36.120   0.5111   36.780   0.4469 -0.6615000 0.6790000 
1 1 1   -3   13   10 o   74.310   0.4876   74.180   0.6885   74.440   0.6906 -0.2585000 0.9752000 
1 1 1   -3   13   11 o   68.120   0.4533   67.640   0.6373   68.590   0.6449 -0.9565000 0.9066000 
1 1 1   -3   13   12 o   45.130   0.4112   44.770   0.5811   45.480   0.5819 -0.7080000 0.8224000 
1 1 1   -3   13   13 o   95.580   0.7148   95.660   1.0120   95.500   1.0090 0.1615000 1.430000 
1 1 1   -3   13   14 o   23.800   0.4735   23.130   0.7139   24.480   0.6221 -1.356000 0.9469000 
1 1 1   -3   13   15 o   19.800   0.4702   20.370   0.6450   19.220   0.6843 1.146000 0.9404000 
1 1 1   -3   13   16 o   45.640   0.4211   46.850   0.5812   44.430   0.6095 2.421000 0.8421000 
1 1 1   -3   13   17 o   46.490   0.3690   46.940   0.5207   46.050   0.5229 0.8953000 0.7379000 
1 1 1   -3   13   18 o   9.2090   0.9241   8.8680   1.3070   9.5500   1.3070 -0.6822000 1.848000 
1 1 1   -3   13   19 o   23.370   0.4514   23.000   0.5999   23.740   0.6747 -0.7404000 0.9028000 
1 1 1   -3   13   20 o   21.300   0.4629   21.090   0.6538   21.510   0.6555 -0.4190000 0.9258000 
1 1 1   -3   13   21 o   14.600   0.6201   15.250   0.8256   13.940   0.9255 1.303000 1.240000 
1 1 1   -3   13   22 o   11.940   0.6281   11.670   0.8618   12.220   0.9139 -0.5591000 1.256000 
1 1 1   -3   13   23 o   6.9950   1.0680   7.7120   1.3070   6.2790   1.6900 1.433000 2.136000 
1 1 1   -3   13   24 o   9.0920   0.8487   9.6200   1.0330   8.5630   1.3470 1.056000 1.697000 
1 1 1   -3   13   25 o   7.3530   1.0230   6.5120   1.5070   8.1940   1.3840 -1.682000 2.046000 
1 1 1   -3   13   26 o   8.6220   0.8866   8.4450   1.1690   8.7980   1.3330 -0.3534000 1.773000 
1 1 1   -3   13   27 o   3.8270   1.0780   4.8950   1.6900   2.7590   1.3400 2.135000 2.157000 
1 1 1   -3   13   28 o   13.690   0.7415   12.620   1.0980   14.770   0.9964 -2.147000 1.483000 
1 1 1   -3   13   29 o   8.2540   1.1360   10.880   1.1110   5.6250   1.9810 5.258000 2.271000 
1 1 1   -3   13   30 o   16.420   0.5752   16.160   0.8019   16.690   0.8247 -0.5329000 1.150000 
1 1 1   -3   13   31 o   6.4430   1.3400   5.8280   1.8860   7.0580   1.9040 -1.231000 2.680000 
1 1 1   -3   13   32 o   4.0060   1.2900   3.4000   1.6120   4.6130   2.0150 -1.212000 2.581000 
1 1 1   -3   13   33 o   3.2790   1.1460   3.2730   1.6070   3.2850   1.6360 -0.1159000E-01 2.293000 
1 1 1   -3   13   34 o   2.6320   0.9342   2.4340   1.2330   2.8310   1.4040 -0.3969000 1.868000 
1 1 1   -3   13   35 o   2.0420   0.7405   1.9940   1.0200   2.0900   1.0740 -0.9689000E-01 1.481000 
1 1 1   -3   15    1 o   52.630   0.3643   52.750   0.5158   52.510   0.5146 0.2349000 0.7286000 
1 1 1   -3   15    2 o   48.750   0.3464   48.920   0.4908   48.570   0.4889 0.3540000 0.6928000 
1 1 1   -3   15    3 o  103.600   0.6605  103.800   0.9353  103.500   0.9330 0.2819000 1.321000 
1 1 1   -3   15    4 o   29.240   0.3387   28.360   0.4426   30.120   0.5128 -1.757000 0.6774000 
1 1 1   -3   15    5 o   45.840   0.3391   45.790   0.4763   45.880   0.4827 -0.9169000E-01 0.6781000 
1 1 1   -3   15    6 o   28.510   0.3178   29.190   0.4358   27.830   0.4628 1.364000 0.6357000 
1 1 1   -3   15    7 o   55.440   0.3858   55.470   0.5418   55.420   0.5494 0.5188000E-01 0.7716000 
1 1 1   -3   15    8 o   80.040   0.5225   80.120   0.7391   79.960   0.7387 0.1613000 1.045000 
1 1 1   -3   15    9 o   55.020   0.4566   54.800   0.6455   55.240   0.6459 -0.4482000 0.9131000 
1 1 1   -3   15   10 o   11.120   0.9467   11.160   1.3460   11.080   1.3320 0.8008000E-01 1.893000 
1 1 1   -3   15   11 o   27.430   0.4315   27.720   0.5928   27.140   0.6271 0.5769000 0.8629000 
1 1 1   -3   15   12 o   25.300   0.4363   25.040   0.6093   25.560   0.6246 -0.5173000 0.8726000 
1 1 1   -3   15   13 o   12.930   0.7047   12.600   0.9956   13.270   0.9975 -0.6718000 1.409000 
1 1 1   -3   15   14 o   31.010   0.3614   30.800   0.5049   31.230   0.5172 -0.4312000 0.7227000 
1 1 1   -3   15   15 o   50.070   0.3825   50.100   0.5402   50.030   0.5416 0.6532000E-01 0.7650000 
1 1 1   -3   15   16 o   11.160   0.7771   11.480   1.0200   10.840   1.1730 0.6381000 1.554000 
1 1 1   -3   15   17 o   17.340   0.6080   18.510   0.7251   16.170   0.9761 2.335000 1.216000 
1 1 1   -3   15   18 o   23.450   0.4711   23.500   0.6202   23.410   0.7094 0.8510000E-01 0.9422000 
1 1 1   -3   15   19 o   14.330   0.6372   14.400   0.8582   14.260   0.9423 0.1332000 1.274000 
1 1 1   -3   15   20 o   31.430   0.3465   30.960   0.4713   31.900   0.5080 -0.9384000 0.6929000 
1 1 1   -3   15   21 o   16.870   0.4550   16.930   0.6187   16.810   0.6673 0.1187000 0.9100000 
1 1 1   -3   15   22 o   4.7090   1.1280   5.8580   1.6260   3.5600   1.5650 2.298000 2.257000 
1 1 1   -3   15   23 o   12.190   0.6288   12.240   0.8361   12.140   0.9394 0.9482000E-01 1.258000 
1 1 1   -3   15   24 o   7.3040   1.0720   8.1080   1.2950   6.5000   1.7080 1.608000 2.143000 
1 1 1   -3   15   25 o   5.7030   1.2180   5.5640   1.6480   5.8430   1.7930 -0.2793000 2.436000 
1 1 1   -3   15   26 o   18.270   0.4632   18.140   0.6281   18.400   0.6808 -0.2636000 0.9263000 
1 1 1   -3   15   27 o   4.5300   1.3090   5.1620   1.9470   3.8990   1.7510 1.263000 2.619000 
1 1 1   -3   15   28 o   7.6660   1.2410   8.3610   1.5140   6.9710   1.9670 1.390000 2.483000 
1 1 1   -3   15   29 o   4.7640   1.2930   5.2840   1.8300   4.2430   1.8280 1.041000 2.586000 
1 1 1   -3   15   30 o   3.2870   1.0880   3.7550   1.6720   2.8180   1.3920 0.9363000 2.176000 
1 1 1   -3   15   31 o   7.5580   1.4360   6.1130   2.0400   9.0030   2.0210 -2.890000 2.871000 
1 1 1   -3   15   32 o   3.2950   1.1260   3.5080   1.6570   3.0820   1.5260 0.4261000 2.253000 
1 1 1   -3   15   33 o   2.8990   1.0160   2.6220   1.3140   3.1770   1.5510 -0.5547000 2.032000 
1 1 1   -3   15   34 f   2.3930   0.8517   2.7090   1.3340   2.0780   1.0590 0.6309000 1.703000 
1 1 1   -3   17    1 o   13.780   0.5749   13.920   0.8060   13.640   0.8199 0.2810000 1.150000 
1 1 1   -3   17    2 o   57.480   0.3995   57.610   0.5656   57.360   0.5643 0.2472000 0.7989000 
1 1 1   -3   17    3 o   14.350   0.6574   14.440   0.9382   14.260   0.9212 0.1784000 1.315000 
1 1 1   -3   17    4 o   32.150   0.3984   32.370   0.5558   31.920   0.5708 0.4490000 0.7967000 
1 1 1   -3   17    5 o   52.560   0.4440   52.630   0.6253   52.500   0.6307 0.1352000 0.8881000 
1 1 1   -3   17    6 o   36.910   0.4030   36.830   0.5570   37.000   0.5825 -0.1688000 0.8060000 
1 1 1   -3   17    7 o   20.950   0.6165   22.110   0.8344   19.790   0.9077 2.314000 1.233000 
1 1 1   -3   17    8 o   49.550   0.4324   49.970   0.6113   49.130   0.6117 0.8338000 0.8648000 
1 1 1   -3   17    9 o   19.180   0.5401   19.030   0.7532   19.320   0.7742 -0.2897000 1.080000 
1 1 1   -3   17   10 o   29.750   0.3811   29.630   0.5311   29.870   0.5467 -0.2472000 0.7622000 
1 1 1   -3   17   11 o   9.8500   0.9558   10.460   1.2120   9.2360   1.4780 1.228000 1.912000 
1 1 1   -3   17   12 o   18.720   0.5164   18.430   0.7222   19.010   0.7383 -0.5841000 1.033000 
1 1 1   -3   17   13 o   18.210   0.5210   19.080   0.6770   17.350   0.7920 1.726000 1.042000 
1 1 1   -3   17   14 o   10.730   0.8321   10.470   1.1250   10.990   1.2260 -0.5182000 1.664000 
1 1 1   -3   17   15 o   11.430   0.9917   13.550   1.0060   9.3070   1.7090 4.246000 1.983000 
1 1 1   -3   17   16 o   28.380   0.4365   28.880   0.5823   27.870   0.6504 1.018000 0.8730000 
1 1 1   -3   17   17 o   9.0500   1.0630   8.1750   1.6330   9.9240   1.3610 -1.749000 2.126000 
1 1 1   -3   17   18 o   13.520   0.5868   13.300   0.8085   13.740   0.8506 -0.4437000 1.174000 
1 1 1   -3   17   19 o   21.350   0.4016   21.480   0.5518   21.210   0.5837 0.2712000 0.8032000 
1 1 1   -3   17   20 o   16.570   0.4818   16.760   0.6469   16.380   0.7142 0.3786000 0.9636000 
1 1 1   -3   17   21 o   15.260   0.5142   15.480   0.6938   15.050   0.7590 0.4318000 1.028000 
1 1 1   -3   17   22 o   8.1250   1.0180   9.4730   1.1020   6.7770   1.7110 2.696000 2.036000 
1 1 1   -3   17   23 o   15.460   0.5198   15.050   0.6969   15.870   0.7713 -0.8288000 1.040000 
1 1 1   -3   17   24 o   3.9250   1.1590   4.2210   1.6610   3.6290   1.6160 0.5914000 2.317000 
1 1 1   -3   17   25 o   4.8380   1.3600   4.5320   1.8700   5.1440   1.9760 -0.6122000 2.721000 
1 1 1   -3   17   26 o   9.9480   1.0630   10.600   1.3220   9.3000   1.6650 1.295000 2.126000 
1 1 1   -3   17   27 o   4.4210   1.2910   4.7090   1.8470   4.1330   1.8030 0.5770000 2.581000 
1 1 1   -3   17   28 o   8.4440   1.1600   9.8160   1.2910   7.0720   1.9280 2.745000 2.320000 
1 1 1   -3   17   29 o   3.2200   1.0780   3.1400   1.4890   3.2990   1.5600 -0.1589000 2.157000 
1 1 1   -3   17   30 o   5.4820   1.4800   5.2650   2.0030   5.6990   2.1800 -0.4340000 2.960000 
1 1 1   -3   17   31 o   4.2570   1.2880   3.7800   1.7020   4.7340   1.9330 -0.9534000 2.575000 
1 1 1   -3   17   32 o   3.7100   1.2100   4.0360   1.7960   3.3840   1.6230 0.6514000 2.421000 
1 1 1   -3   17   33 o   2.3100   0.8457   1.8710   0.9622   2.7490   1.3910 -0.8771000 1.691000 
1 1 1   -3   19    1 o   22.190   0.5683   20.830   0.9218   23.550   0.6651 -2.721000 1.137000 
1 1 1   -3   19    2 o   49.350   0.4320   49.410   0.6132   49.280   0.6087 0.1262000 0.8640000 
1 1 1   -3   19    3 o   60.970   0.4898   61.530   0.6989   60.410   0.6864 1.122000 0.9796000 
1 1 1   -3   19    4 o   26.960   0.4312   27.380   0.5439   26.530   0.6692 0.8517000 0.8624000 
1 1 1   -3   19    5 o   11.570   0.8112   11.940   1.0510   11.210   1.2360 0.7302000 1.622000 
1 1 1   -3   19    6 o   53.860   0.3969   53.910   0.5563   53.810   0.5664 0.1016000 0.7939000 
1 1 1   -3   19    7 o   56.290   0.4071   56.740   0.5735   55.830   0.5779 0.9095000 0.8142000 
1 1 1   -3   19    8 o   25.440   0.4084   25.880   0.5534   24.990   0.6008 0.8869000 0.8168000 
1 1 1   -3   19    9 o   30.400   0.3703   30.270   0.5027   30.530   0.5439 -0.2578000 0.7407000 
1 1 1   -3   19   10 o   42.730   0.3628   42.750   0.4993   42.720   0.5266 0.2444000E-01 0.7257000 
1 1 1   -3   19   11 o   14.560   0.6123   15.340   0.7397   13.790   0.9760 1.544000 1.225000 
1 1 1   -3   19   12 o   24.080   0.4747   23.640   0.6440   24.520   0.6976 -0.8825000 0.9494000 
1 1 1   -3   19   13 o   4.6370   1.3190   5.0660   1.8850   4.2080   1.8450 0.8574000 2.638000 
1 1 1   -3   19   14 o   6.4910   1.3580   6.0020   1.9360   6.9790   1.9070 -0.9769000 2.717000 
1 1 1   -3   19   15 o   18.840   0.5278   18.960   0.7146   18.730   0.7769 0.2268000 1.056000 
1 1 1   -3   19   16 o   4.6610   1.2290   4.7430   1.6950   4.5780   1.7810 0.1651000 2.459000 
1 1 1   -3   19   17 o   7.8020   1.0350   8.2420   1.3070   7.3610   1.6060 0.8804000 2.071000 
1 1 1   -3   19   18 o   16.390   0.4983   15.810   0.6990   16.960   0.7105 -1.153000 0.9966000 
1 1 1   -3   19   19 o   4.8510   1.2160   5.4010   1.7110   4.3010   1.7280 1.099000 2.432000 
1 1 1   -3   19   20 o   24.630   0.3856   24.330   0.5386   24.940   0.5520 -0.6075000 0.7712000 
1 1 1   -3   19   21 o   6.3600   1.2100   6.4930   1.6190   6.2270   1.7970 0.2653000 2.419000 
1 1 1   -3   19   22 o   14.980   0.5606   14.660   0.7663   15.300   0.8184 -0.6413000 1.121000 
1 1 1   -3   19   23 o   5.1890   1.2310   3.7970   1.6350   6.5800   1.8400 -2.782000 2.461000 
1 1 1   -3   19   24 o   4.3330   1.3250   4.1170   1.8310   4.5490   1.9160 -0.4320000 2.650000 
1 1 1   -3   19   25 o   3.9570   1.1960   4.6590   1.8140   3.2560   1.5590 1.403000 2.392000 
1 1 1   -3   19   26 o   11.580   0.9187   12.130   1.1130   11.020   1.4620 1.116000 1.837000 
1 1 1   -3   19   27 o   9.6100   1.0330   10.120   1.3280   9.1040   1.5820 1.011000 2.065000 
1 1 1   -3   19   28 o   4.1140   1.2580   4.1870   1.7810   4.0400   1.7760 0.1475000 2.515000 
1 1 1   -3   19   29 o   6.9160   1.4370   7.8530   1.8800   5.9780   2.1750 1.875000 2.875000 
1 1 1   -3   19   30 o   3.0370   1.0560   3.0290   1.4830   3.0440   1.5040 -0.1472000E-01 2.112000 
1 1 1   -3   19   31 o   2.3220   0.8353   2.3840   1.2100   2.2590   1.1520 0.1252000 1.671000 
1 1 1   -3   21    1 o   40.930   0.3523   40.740   0.4949   41.110   0.5016 -0.3671000 0.7046000 
1 1 1   -3   21    2 o   32.330   0.3557   32.570   0.4983   32.090   0.5078 0.4775000 0.7115000 
1 1 1   -3   21    3 o   56.350   0.4040   56.420   0.5705   56.280   0.5723 0.1466000 0.8081000 
1 1 1   -3   21    4 o   33.230   0.3872   32.760   0.4920   33.710   0.5980 -0.9537000 0.7744000 
1 1 1   -3   21    5 o   24.070   0.4150   24.310   0.5542   23.840   0.6179 0.4761000 0.8300000 
1 1 1   -3   21    6 o   13.620   0.6526   13.120   0.9074   14.110   0.9380 -0.9893000 1.305000 
1 1 1   -3   21    7 o   24.840   0.4623   24.740   0.6022   24.950   0.7017 -0.2064000 0.9246000 
1 1 1   -3   21    8 o   22.210   0.4963   21.800   0.6428   22.610   0.7565 -0.8114000 0.9927000 
1 1 1   -3   21    9 o   11.330   0.8927   11.590   1.0850   11.080   1.4180 0.5094000 1.785000 
1 1 1   -3   21   10 o   9.1590   1.0500   8.0080   1.5780   10.310   1.3860 -2.302000 2.100000 
1 1 1   -3   21   11 o   5.5600   1.3480   4.8510   1.8300   6.2690   1.9810 -1.419000 2.697000 
1 1 1   -3   21   12 o   3.5140   1.1170   4.1230   1.7280   2.9060   1.4150 1.217000 2.234000 
1 1 1   -3   21   13 o   26.220   0.3762   25.940   0.5227   26.500   0.5411 -0.5627000 0.7523000 
1 1 1   -3   21   14 o   10.740   0.7807   9.3320   1.1930   12.150   1.0070 -2.817000 1.561000 
1 1 1   -3   21   15 o   10.880   0.7517   10.890   1.0020   10.860   1.1200 0.2642000E-01 1.503000 
1 1 1   -3   21   16 o   11.860   0.6830   12.610   0.8467   11.110   1.0720 1.506000 1.366000 
1 1 1   -3   21   17 o   4.4520   1.2030   3.7060   1.5880   5.1980   1.8070 -1.492000 2.405000 
1 1 1   -3   21   18 o   9.5930   0.8554   9.4940   1.1710   9.6920   1.2470 -0.1973000 1.711000 
1 1 1   -3   21   19 o   9.9950   0.8521   8.6830   1.3050   11.310   1.0950 -2.623000 1.704000 
1 1 1   -3   21   20 o   10.460   0.8078   9.8260   1.1640   11.100   1.1200 -1.271000 1.616000 
1 1 1   -3   21   21 f   16.310   0.5556   16.350   0.7591   16.270   0.8115 0.8452000E-01 1.111000 
1 1 1   -3   21   22 o   8.4900   1.2980   8.5680   1.8260   8.4110   1.8460 0.1570000 2.597000 
1 1 1   -3   21   23 o   10.630   0.8720   9.0410   1.3550   12.210   1.0980 -3.169000 1.744000 
1 1 1   -3   21   24 o   7.9450   1.2680   6.3520   1.9280   9.5380   1.6460 -3.186000 2.535000 
1 1 1   -3   21   25 o   6.6980   1.3450   6.7030   1.8510   6.6930   1.9520 0.9606000E-02 2.690000 
1 1 1   -3   21   26 o   3.7370   1.1800   4.2110   1.7800   3.2630   1.5500 0.9486000 2.360000 
1 1 1   -3   21   27 o   3.5160   1.1710   3.7050   1.7090   3.3280   1.6010 0.3769000 2.342000 
1 1 1   -3   21   28 o   3.0920   1.0660   3.2840   1.5710   2.9000   1.4420 0.3841000 2.132000 
1 1 1   -3   21   29 o   2.8570   0.9995   3.0820   1.4950   2.6330   1.3260 0.4490000 1.999000 
1 1 1   -3   21   30 o   2.7770   0.9598   2.5080   1.2490   3.0460   1.4580 -0.5373000 1.920000 
1 1 1   -3   23    1 o   9.2850   1.2400   7.2370   1.9160   11.330   1.5760 -4.095000 2.481000 
1 1 1   -3   23    2 o   15.850   0.6564   15.810   0.9401   15.880   0.9164 -0.6417000E-01 1.313000 
1 1 1   -3   23    3 o   23.370   0.4581   23.680   0.6138   23.060   0.6803 0.6200000 0.9163000 
1 1 1   -3   23    4 o   4.5840   1.3090   4.5520   1.8180   4.6150   1.8830 -0.6351000E-01 2.618000 
1 1 1   -3   23    5 o   13.870   0.6940   14.200   0.9104   13.540   1.0480 0.6544000 1.388000 
1 1 1   -3   23    6 o   4.3300   1.2500   4.8820   1.8360   3.7770   1.6960 1.105000 2.500000 
1 1 1   -3   23    7 o   18.710   0.5240   17.960   0.7383   19.470   0.7438 -1.518000 1.048000 
1 1 1   -3   23    8 o   9.0680   0.9152   8.3480   1.3310   9.7870   1.2560 -1.439000 1.830000 
1 1 1   -3   23    9 o   17.450   0.4937   18.360   0.6266   16.540   0.7630 1.819000 0.9873000 
1 1 1   -3   23   10 o   15.400   0.5263   14.920   0.7201   15.890   0.7677 -0.9765000 1.053000 
1 1 1   -3   23   11 o   8.3390   0.9755   8.3430   1.3010   8.3360   1.4530 0.6857000E-02 1.951000 
1 1 1   -3   23   12 o   18.260   0.4676   18.670   0.5942   17.850   0.7222 0.8271000 0.9352000 
1 1 1   -3   23   13 o   3.5550   1.1060   3.7260   1.5760   3.3840   1.5540 0.3420000 2.213000 
1 1 1   -3   23   14 o   5.2240   1.1780   6.3630   1.6080   4.0850   1.7230 2.278000 2.357000 
1 1 1   -3   23   15 f   23.400   0.4091   23.570   0.5558   23.220   0.6005 0.3483000 0.8182000 
1 1 1   -3   23   16 o   3.9640   1.1910   3.6600   1.6010   4.2680   1.7650 -0.6079000 2.383000 
1 1 1   -3   23   17 o   12.650   0.6938   11.930   0.9857   13.360   0.9767 -1.420000 1.388000 
1 1 1   -3   23   18 f   8.8160   1.0320   8.6640   1.4010   8.9680   1.5170 -0.3044000 2.065000 
1 1 1   -3   23   19 o   9.1050   1.2990   9.6010   1.7160   8.6080   1.9490 0.9934000 2.597000 
1 1 1   -3   23   20 o   10.010   1.1850   9.9030   1.6780   10.120   1.6730 -0.2157000 2.369000 
1 1 1   -3   23   21 o   4.8700   1.2990   3.7300   1.6500   6.0110   2.0080 -2.281000 2.599000 
1 1 1   -3   23   22 o   8.9520   1.1960   9.3740   1.5510   8.5300   1.8200 0.8442000 2.391000 
1 1 1   -3   23   23 o   5.4160   1.3780   5.4560   1.9130   5.3770   1.9840 0.7889000E-01 2.757000 
1 1 1   -3   23   24 o   6.6100   1.3110   7.9700   1.7090   5.2500   1.9870 2.721000 2.621000 
1 1 1   -3   23   25 o   3.0680   1.0650   2.5680   1.2910   3.5680   1.6950 -0.9997000 2.131000 
1 1 1   -3   23   26 o   4.0750   1.2910   4.4300   1.9000   3.7200   1.7480 0.7101000 2.581000 
1 1 1   -3   23   27 o   3.4350   1.1510   2.8310   1.4020   4.0380   1.8270 -1.207000 2.303000 
1 1 1   -3   23   28 o   2.6540   0.9396   2.3970   1.2130   2.9120   1.4350 -0.5151000 1.879000 
1 1 1   -3   25    1 o   9.3530   0.8453   10.050   1.0690   8.6570   1.3090 1.392000 1.691000 
1 1 1   -3   25    2 o   14.320   0.5544   13.740   0.7996   14.900   0.7681 -1.155000 1.109000 
1 1 1   -3   25    3 o   20.850   0.4076   20.630   0.5705   21.070   0.5824 -0.4381000 0.8152000 
1 1 1   -3   25    4 o   31.870   0.3756   32.110   0.4777   31.620   0.5798 0.4907000 0.7513000 
1 1 1   -3   25    5 o   34.430   0.3484   33.910   0.4761   34.950   0.5088 -1.041000 0.6968000 
1 1 1   -3   25    6 o   14.120   0.5961   14.070   0.7974   14.170   0.8864 -0.9669000E-01 1.192000 
1 1 1   -3   25    7 o   17.000   0.5041   16.490   0.6883   17.500   0.7368 -1.010000 1.008000 
1 1 1   -3   25    8 o   6.8730   1.1580   5.9970   1.6930   7.7500   1.5810 -1.754000 2.316000 
1 1 1   -3   25    9 o   13.500   0.6103   13.030   0.8580   13.980   0.8682 -0.9524000 1.221000 
1 1 1   -3   25   10 o   13.360   0.6401   14.670   0.7559   12.050   1.0330 2.622000 1.280000 
1 1 1   -3   25   11 o   7.3970   1.1370   7.5440   1.4770   7.2500   1.7280 0.2942000 2.273000 
1 1 1   -3   25   12 o   10.200   0.8715   11.900   0.9141   8.4960   1.4840 3.403000 1.743000 
1 1 1   -3   25   13 o   12.530   0.7115   14.160   0.7961   10.900   1.1800 3.265000 1.423000 
1 1 1   -3   25   14 o   9.3590   0.9209   8.7710   1.3330   9.9480   1.2710 -1.177000 1.842000 
1 1 1   -3   25   15 o   3.3810   1.0930   3.5200   1.5680   3.2410   1.5220 0.2795000 2.186000 
1 1 1   -3   25   16 o   3.9440   1.2560   4.0610   1.7850   3.8270   1.7680 0.2343000 2.513000 
1 1 1   -3   25   17 o   10.600   1.1150   10.320   1.5970   10.880   1.5570 -0.5582000 2.230000 
1 1 1   -3   25   18 o   8.0370   1.1790   8.9800   1.4580   7.0930   1.8530 1.887000 2.358000 
1 1 1   -3   25   19 o   9.2910   1.1810   10.270   1.4060   8.3150   1.8990 1.953000 2.363000 
1 1 1   -3   25   20 o   6.1850   1.4230   7.3310   1.9830   5.0390   2.0410 2.292000 2.845000 
1 1 1   -3   25   21 o   3.8050   1.2070   3.2490   1.5360   4.3600   1.8610 -1.111000 2.413000 
1 1 1   -3   25   22 o   3.9920   1.2430   3.6480   1.6640   4.3350   1.8460 -0.6877000 2.485000 
1 1 1   -3   25   23 f   5.1970   1.2820   7.1580   2.0230   3.2370   1.5750 3.921000 2.564000 
1 1 1   -3   25   24 o   3.9820   1.2760   3.5330   1.6610   4.4300   1.9390 -0.8973000 2.553000 
1 1 1   -3   25   25 o   4.7300   1.3560   5.6300   2.0430   3.8300   1.7850 1.801000 2.713000 
1 1 1   -3   25   26 o   3.4680   1.1700   3.2480   1.5880   3.6880   1.7190 -0.4398000 2.340000 
1 1 1   -3   27    1 o   7.1860   1.1260   7.9210   1.4710   6.4500   1.7040 1.471000 2.251000 
1 1 1   -3   27    2 o   9.3040   0.8688   9.0340   1.2480   9.5750   1.2090 -0.5410000 1.738000 
1 1 1   -3   27    3 o   16.870   0.4992   16.990   0.6900   16.750   0.7217 0.2403000 0.9985000 
1 1 1   -3   27    4 o   3.7860   1.1600   3.9370   1.6530   3.6350   1.6270 0.3017000 2.319000 
1 1 1   -3   27    5 o   11.810   0.7309   11.460   1.0070   12.160   1.0600 -0.7039000 1.462000 
1 1 1   -3   27    6 o   13.730   0.6400   13.110   0.8885   14.340   0.9213 -1.230000 1.280000 
1 1 1   -3   27    7 o   31.250   0.3688   31.300   0.5069   31.210   0.5359 0.8430000E-01 0.7377000 
1 1 1   -3   27    8 f   13.180   0.6683   12.700   0.9383   13.670   0.9518 -0.9708000 1.337000 
1 1 1   -3   27    9 o   14.700   0.6041   14.920   0.8069   14.490   0.8992 0.4362000 1.208000 
1 1 1   -3   27   10 o   20.170   0.4689   20.990   0.6074   19.350   0.7145 1.638000 0.9378000 
1 1 1   -3   27   11 o   4.6000   1.2680   4.9980   1.8140   4.2010   1.7730 0.7970000 2.536000 
1 1 1   -3   27   12 o   20.700   0.5732   20.150   0.7841   21.260   0.8362 -1.110000 1.146000 
1 1 1   -3   27   13 o   12.860   0.8624   12.780   1.1690   12.930   1.2690 -0.1501000 1.725000 
1 1 1   -3   27   14 f   4.7730   1.3780   4.2300   1.8430   5.3160   2.0500 -1.086000 2.757000 
1 1 1   -3   27   15 o   3.9780   1.2150   4.5250   1.8120   3.4310   1.6200 1.094000 2.430000 
1 1 1   -3   27   16 o   5.9950   1.4420   5.5780   2.0080   6.4110   2.0690 -0.8333000 2.883000 
1 1 1   -3   27   17 o   10.290   1.0900   9.9840   1.5500   10.600   1.5340 -0.6127000 2.181000 
1 1 1   -3   27   18 o   6.0380   1.3850   6.3190   1.9200   5.7570   1.9960 0.5618000 2.770000 
1 1 1   -3   27   19 o   3.2020   1.0760   3.5450   1.6260   2.8580   1.4090 0.6866000 2.151000 
1 1 1   -3   27   20 o   4.0480   1.2940   4.0310   1.8700   4.0660   1.7890 -0.3437000E-01 2.588000 
1 1 1   -3   27   21 o   3.8560   1.2920   3.8810   1.8790   3.8310   1.7740 0.5061000E-01 2.584000 
1 1 1   -3   27   22 o   4.9780   1.3220   3.7170   1.7580   6.2380   1.9760 -2.521000 2.645000 
1 1 1   -3   27   23 o   3.7230   1.2190   3.1770   1.5560   4.2700   1.8770 -1.093000 2.438000 
1 1 1   -3   27   24 o   2.3600   0.8503   2.4580   1.2500   2.2620   1.1530 0.1959000 1.701000 
1 1 1   -3   29    1 o   22.570   0.4147   22.770   0.5765   22.360   0.5964 0.4078000 0.8295000 
1 1 1   -3   29    2 o   5.0910   1.2740   4.6690   1.7730   5.5120   1.8310 -0.8433000 2.549000 
1 1 1   -3   29    3 o   6.5890   1.2210   5.6110   1.8160   7.5670   1.6330 -1.956000 2.442000 
1 1 1   -3   29    4 f   6.4390   1.2840   6.6280   1.7390   6.2500   1.8900 0.3781000 2.568000 
1 1 1   -3   29    5 o   6.8630   1.2410   5.6110   1.8290   8.1160   1.6780 -2.505000 2.482000 
1 1 1   -3   29    6 o   4.1590   1.2910   3.8910   1.7340   4.4280   1.9120 -0.5369000 2.581000 
1 1 1   -3   29    7 o   9.3560   1.1800   8.5970   1.7170   10.110   1.6190 -1.517000 2.360000 
1 1 1   -3   29    8 o   22.350   0.5411   21.780   0.7526   22.920   0.7775 -1.144000 1.082000 
1 1 1   -3   29    9 o   6.6320   1.4450   5.4350   2.0590   7.8290   2.0290 -2.395000 2.891000 
1 1 1   -3   29   10 o   10.380   1.0920   9.6840   1.5940   11.070   1.4930 -1.382000 2.184000 
1 1 1   -3   29   11 o   13.730   0.8114   14.480   1.0590   12.980   1.2290 1.495000 1.623000 
1 1 1   -3   29   12 o   3.7650   1.2160   4.1340   1.8180   3.3970   1.6160 0.7370000 2.432000 
1 1 1   -3   29   13 o   4.4500   1.3450   4.3120   1.8630   4.5890   1.9400 -0.2775000 2.689000 
1 1 1   -3   29   14 o   5.5410   1.4240   7.3440   2.2810   3.7380   1.7050 3.606000 2.848000 
1 1 1   -3   29   15 o   4.7960   1.4250   5.1360   2.1300   4.4560   1.8950 0.6804000 2.851000 
1 1 1   -3   29   16 o   5.7330   1.4520   4.8820   2.0860   6.5840   2.0200 -1.702000 2.904000 
1 1 1   -3   29   17 o   4.2680   1.3740   4.0350   1.9460   4.5010   1.9390 -0.4658000 2.747000 
1 1 1   -3   29   18 o   3.6940   1.2590   3.9330   1.9040   3.4550   1.6490 0.4777000 2.519000 
1 1 1   -3   29   19 f   4.2350   1.2430   5.0830   1.9100   3.3870   1.5900 1.696000 2.485000 
1 1 1   -3   29   20 o   2.8200   0.9879   2.8800   1.4180   2.7600   1.3760 0.1193000 1.976000 
1 1 1   -3   29   21 o   2.6630   0.9385   2.8270   1.3900   2.5000   1.2620 0.3275000 1.877000 
1 1 1   -3   31    1 o   5.8370   1.2950   3.8490   1.7530   7.8250   1.9060 -3.976000 2.589000 
1 1 1   -3   31    2 o   8.0130   1.2920   5.9970   2.0700   10.030   1.5470 -4.034000 2.584000 
1 1 1   -3   31    3 o   4.3920   1.3260   3.9470   1.7800   4.8380   1.9670 -0.8912000 2.653000 
1 1 1   -3   31    4 o   6.8810   1.4310   7.8760   1.9620   5.8860   2.0850 1.990000 2.863000 
1 1 1   -3   31    5 o   6.8830   1.4420   7.9070   1.9850   5.8590   2.0930 2.048000 2.885000 
1 1 1   -3   31    6 o   11.550   0.9503   10.710   1.5070   12.380   1.1580 -1.678000 1.901000 
1 1 1   -3   31    7 o   12.820   0.9815   12.290   1.6310   13.340   1.0930 -1.048000 1.963000 
1 1 1   -3   31    8 o   7.3780   1.3210   10.390   1.8810   4.3660   1.8550 6.025000 2.641000 
1 1 1   -3   31    9 o   7.9910   1.3950   9.3690   2.0040   6.6140   1.9410 2.754000 2.790000 
1 1 1   -3   31   10 o   4.2260   1.3290   4.5530   2.0130   3.9000   1.7370 0.6530000 2.659000 
1 1 1   -3   31   11 o   4.7500   1.3990   5.6730   2.2050   3.8270   1.7230 1.845000 2.798000 
1 1 1   -3   31   12 o   2.8230   0.9839   2.8870   1.4190   2.7600   1.3630 0.1271000 1.968000 
1 1 1   -3   31   13 o   6.7300   1.1820   9.7330   1.5410   3.7270   1.7920 6.006000 2.363000 
1 1 1   -3   31   14 o   2.8630   1.0000   2.9450   1.4420   2.7820   1.3870 0.1633000 2.001000 
1 1 1   -3   31   15 o   3.9090   1.2210   4.7560   1.9340   3.0630   1.4910 1.693000 2.442000 
1 1 1   -3   31   16 o   2.7510   0.9671   2.9000   1.4240   2.6020   1.3090 0.2980000 1.934000 
1 1 1   -3   31   17 o   2.6990   0.9512   2.6010   1.2990   2.7960   1.3900 -0.1953000 1.902000 
1 1 1   -3   31   18 o   1.8430   0.6787   1.8540   0.9652   1.8310   0.9544 0.2279000E-01 1.357000 
1 1 1   -3   33    1 o   4.7160   1.3930   4.5600   2.0150   4.8720   1.9230 -0.3120000 2.785000 
1 1 1   -3   33    2 o   8.8090   1.3400   7.5920   2.2530   10.030   1.4520 -2.435000 2.681000 
1 1 1   -3   33    3 o   4.6390   1.4160   4.7060   2.0490   4.5720   1.9560 0.1334000 2.832000 
1 1 1   -3   33    4 o   6.2630   1.3540   4.5590   2.0310   7.9680   1.7910 -3.409000 2.708000 
1 1 1   -3   33    5 o   4.7110   1.2020   6.3720   1.8970   3.0500   1.4770 3.322000 2.405000 
1 1 1   -3   33    6 o   3.0290   1.0440   3.3550   1.5910   2.7040   1.3520 0.6511000 2.087000 
1 1 1   -3   33    7 o   2.9020   1.0090   3.1770   1.5290   2.6270   1.3180 0.5506000 2.019000 
1 1 1   -3   33    8 o   3.6730   1.1860   2.8520   1.4050   4.4940   1.9110 -1.643000 2.372000 
1 1 1   -3   33    9 o   3.8780   1.2270   4.3020   1.8380   3.4550   1.6270 0.8469000 2.455000 
1 1 1   -3   33   10 o   3.3290   1.1080   3.6060   1.6670   3.0510   1.4620 0.5544000 2.217000 
1 1 1   -3   33   11 o   1.9940   0.7257   2.1160   1.0830   1.8720   0.9658 0.2441000 1.451000 
1 1 1   -3   33   12 o   2.7230   0.9570   2.5100   1.2580   2.9360   1.4420 -0.4261000 1.914000 
1 1 1   -3   33   13 o   2.2620   0.8205   2.1910   1.1280   2.3340   1.1920 -0.1428000 1.641000 
1 1 1   -3   35    1 o   2.4540   0.8735   2.4520   1.2350   2.4570   1.2360 -0.4560000E-02 1.747000 
1 1 1   -3   35    2 o   3.2980   1.1080   3.3250   1.5760   3.2720   1.5590 0.5277000E-01 2.217000 
1 1 1   -3   35    3 o   2.3110   0.8368   2.2950   1.1880   2.3260   1.1790 -0.3115000E-01 1.674000 
1 1 1   -3   35    4 o   1.8190   0.9468   1.8190   0.9468  ?   ?       ?      ? 
1 1 1   -2    0    2 o   4.3830   0.2006   4.3830   0.2006   4.3830   0.2006 0.000000 0.000000 
1 1 1   -2    0    3 o   12.150   0.1843   12.150   0.1843   12.150   0.1843 0.000000 0.000000 
1 1 1   -2    0    4 o   47.370   0.4250   47.370   0.4250   47.370   0.4250 0.000000 0.000000 
1 1 1   -2    0    5 o   19.980   0.3016   19.980   0.3016   19.980   0.3016 -0.000000 0.000000 
1 1 1   -2    0    6 o   64.010   0.5729   64.010   0.5729   64.010   0.5729 -0.000000 0.000000 
1 1 1   -2    0    7 o  153.900   1.3670  153.900   1.3670  153.900   1.3670 -0.000000 0.000000 
1 1 1   -2    0    8 o   84.240   0.7519   84.240   0.7519   84.240   0.7519 0.000000 0.000000 
1 1 1   -2    0    9 o  131.800   1.1720  131.800   1.1720  131.800   1.1720 0.000000 0.000000 
1 1 1   -2    0   10 o   70.930   0.9038   70.930   0.9038   70.930   0.9038 0.000000 0.000000 
1 1 1   -2    0   11 o   42.550   0.4041   42.550   0.4041   42.550   0.4041 -0.000000 0.000000 
1 1 1   -2    0   12 o   71.790   0.6481   71.790   0.6481   71.790   0.6481 -0.000000 0.000000 
1 1 1   -2    0   13 o   7.4560   0.7093   7.4560   0.7093   7.4560   0.7093 -0.000000 0.000000 
1 1 1   -2    0   14 o   61.110   0.5612   61.110   0.5612   61.110   0.5612 -0.000000 0.000000 
1 1 1   -2    0   15 o   12.840   0.5066   12.840   0.5066   12.840   0.5066 -0.000000 0.000000 
1 1 1   -2    0   16 o   15.990   0.4898   15.990   0.4898   15.990   0.4898 0.000000 0.000000 
1 1 1   -2    0   17 o   31.350   0.4599   31.350   0.4599   31.350   0.4599 0.000000 0.000000 
1 1 1   -2    0   18 o   16.020   0.5968   16.020   0.5968   16.020   0.5968 0.000000 0.000000 
1 1 1   -2    0   19 o   18.590   0.7937   18.590   0.7937   18.590   0.7937 -0.000000 0.000000 
1 1 1   -2    0   20 o   11.700   0.9492   11.700   0.9492   11.700   0.9492 -0.000000 0.000000 
1 1 1   -2    0   21 o   27.090   0.4885   27.090   0.4885   27.090   0.4885 0.000000 0.000000 
1 1 1   -2    0   22 o   23.260   0.5217   23.260   0.5217   23.260   0.5217 -0.000000 0.000000 
1 1 1   -2    0   23 o   20.590   0.6142   20.590   0.6142   20.590   0.6142 0.000000 0.000000 
1 1 1   -2    0   24 o   18.290   0.9537   18.290   0.9537   18.290   0.9537 -0.000000 0.000000 
1 1 1   -2    0   25 o   11.160   0.9040   11.160   0.9040   11.160   0.9040 0.000000 0.000000 
1 1 1   -2    0   26 o   22.470   0.5069   22.470   0.5069   22.470   0.5069 0.000000 0.000000 
1 1 1   -2    0   27 o   14.990   0.7012   14.990   0.7012   14.990   0.7012 0.000000 0.000000 
1 1 1   -2    0   28 o   1.6120   1.1650   1.6120   1.1650   1.6120   1.1650 -0.000000 0.000000 
1 1 1   -2    0   29 o   18.160   0.6032   18.160   0.6032   18.160   0.6032 -0.000000 0.000000 
1 1 1   -2    0   30 o   12.630   0.9008   12.630   0.9008   12.630   0.9008 0.000000 0.000000 
1 1 1   -2    0   31 o   1.9100   1.3810   1.9100   1.3810   1.9100   1.3810 -0.000000 0.000000 
1 1 1   -2    0   32 o   12.720   1.3520   12.720   1.3520   12.720   1.3520 -0.000000 0.000000 
1 1 1   -2    0   33 o   1.9870   1.4140   1.9870   1.4140   1.9870   1.4140 0.000000 0.000000 
1 1 1   -2    0   34 o   3.1790   2.0080   3.1790   2.0080   3.1790   2.0080 -0.000000 0.000000 
1 1 1   -2    0   35 o   4.5620   2.6870   4.5620   2.6870   4.5620   2.6870 0.000000 0.000000 
1 1 1   -2    0   36 o   2.7750   1.9350   2.7750   1.9350   2.7750   1.9350 0.000000 0.000000 
1 1 1   -2    0   37 f   2.6580   1.7880   2.6580   1.7880   2.6580   1.7880 -0.000000 0.000000 
1 1 1   -2    2    1 o  166.300   1.0450  166.300   1.4780  166.300   1.4780 -0.4071000E-01 2.090000 
1 1 1   -2    2    2 o   98.620   0.6195   98.770   0.8775   98.470   0.8747 0.3034000 1.239000 
1 1 1   -2    2    3 o   27.730   0.1862   27.700   0.2632   27.760   0.2634 -0.6348000E-01 0.3724000 
1 1 1   -2    2    4 o  100.100   0.8918   99.920   1.2590  100.300   1.2640 -0.3711000 1.784000 
1 1 1   -2    2    5 o   76.810   0.5597   75.980   0.7830   77.650   0.8000 -1.674000 1.119000 
1 1 1   -2    2    6 o   68.450   0.4336   68.300   0.6115   68.600   0.6149 -0.2973000 0.8672000 
1 1 1   -2    2    7 o   84.050   0.5306   84.740   0.7566   83.350   0.7442 1.390000 1.061000 
1 1 1   -2    2    8 o   94.410   0.5954   93.660   0.8351   95.160   0.8488 -1.501000 1.191000 
1 1 1   -2    2    9 o   98.750   0.6238   99.470   0.8887   98.040   0.8757 1.433000 1.248000 
1 1 1   -2    2   10 o   59.500   0.5429   60.030   0.7745   58.980   0.7610 1.047000 1.086000 
1 1 1   -2    2   11 o   14.490   0.2453   14.290   0.3530   14.690   0.3407 -0.4000000 0.4906000 
1 1 1   -2    2   12 o   13.830   0.2784   13.760   0.3928   13.900   0.3947 -0.1406000 0.5569000 
1 1 1   -2    2   13 o   35.730   0.2617   35.860   0.3704   35.610   0.3697 0.2554000 0.5233000 
1 1 1   -2    2   14 o   92.770   0.5897   92.900   0.8348   92.650   0.8330 0.2478000 1.179000 
1 1 1   -2    2   15 o   14.030   0.3442   14.570   0.4685   13.500   0.5045 1.073000 0.6885000 
1 1 1   -2    2   16 o   66.360   0.4333   66.350   0.6128   66.370   0.6127 -0.1782000E-01 0.8666000 
1 1 1   -2    2   17 o   77.640   0.5020   77.890   0.7122   77.400   0.7078 0.4936000 1.004000 
1 1 1   -2    2   18 o   15.610   0.5034   15.470   0.7364   15.760   0.6866 -0.2877000 1.007000 
1 1 1   -2    2   19 o   20.460   0.5196   20.940   0.7246   19.970   0.7451 0.9691000 1.039000 
1 1 1   -2    2   20 o   30.380   0.3365   29.970   0.4754   30.790   0.4763 -0.8119000 0.6730000 
1 1 1   -2    2   21 o   47.900   0.3591   47.890   0.5065   47.900   0.5092 -0.1242000E-01 0.7183000 
1 1 1   -2    2   22 o   15.680   0.5145   15.680   0.7040   15.680   0.7505 0.3504000E-02 1.029000 
1 1 1   -2    2   23 o   40.430   0.3981   40.710   0.5494   40.140   0.5764 0.5715000 0.7963000 
1 1 1   -2    2   24 o   22.670   0.5378   22.260   0.7494   23.090   0.7715 -0.8320000 1.076000 
1 1 1   -2    2   25 o   14.760   0.4940   14.870   0.6880   14.660   0.7091 0.2120000 0.9880000 
1 1 1   -2    2   26 o   6.9670   1.0030   6.2980   1.5120   7.6360   1.3180 -1.338000 2.006000 
1 1 1   -2    2   27 o   12.540   0.5624   12.750   0.7589   12.330   0.8304 0.4251000 1.125000 
1 1 1   -2    2   28 o   14.020   0.5185   13.410   0.7539   14.620   0.7120 -1.210000 1.037000 
1 1 1   -2    2   29 o   5.4680   1.1360   6.2950   1.5320   4.6420   1.6790 1.653000 2.273000 
1 1 1   -2    2   30 o   4.7470   1.0840   3.0910   1.4190   6.4030   1.6390 -3.312000 2.168000 
1 1 1   -2    2   31 o   7.2490   1.3060   8.7810   1.6200   5.7160   2.0480 3.065000 2.612000 
1 1 1   -2    2   32 o   5.2940   1.3760   5.2580   1.8810   5.3290   2.0080 -0.7146000E-01 2.751000 
1 1 1   -2    2   33 o   9.3000   1.0600   10.570   1.2580   8.0350   1.7060 2.530000 2.120000 
1 1 1   -2    2   34 o   3.5650   1.1540   3.9700   1.7410   3.1610   1.5150 0.8090000 2.308000 
1 1 1   -2    2   35 o   3.8550   1.2970   4.2030   1.9460   3.5070   1.7150 0.6955000 2.594000 
1 1 1   -2    2   36 o   3.5570   1.1920   3.5400   1.6810   3.5740   1.6910 -0.3436000E-01 2.385000 
1 1 1   -2    2   37 f   2.6690   0.9343   2.8010   1.3720   2.5380   1.2690 0.2633000 1.869000 
1 1 1   -2    4    1 o   61.830   0.5048   62.730   0.6498   60.930   0.7727 1.795000 1.010000 
1 1 1   -2    4    2 o   74.420   0.6655   74.760   0.9453   74.080   0.9370 0.6762000 1.331000 
1 1 1   -2    4    3 o   78.950   0.7064   79.190   1.0030   78.720   0.9954 0.4618000 1.413000 
1 1 1   -2    4    4 o   81.740   0.5165   81.760   0.7307   81.720   0.7302 0.3319000E-01 1.033000 
1 1 1   -2    4    5 o  185.300   1.1650  185.600   1.6500  185.000   1.6440 0.6650000 2.329000 
1 1 1   -2    4    6 o   55.940   0.3596   55.660   0.5056   56.230   0.5114 -0.5675000 0.7192000 
1 1 1   -2    4    7 o  145.800   0.9170  146.400   1.3020  145.200   1.2920 1.201000 1.834000 
1 1 1   -2    4    8 o   52.230   0.3399   52.660   0.4843   51.800   0.4771 0.8582000 0.6798000 
1 1 1   -2    4    9 o   58.980   0.5386   58.870   0.7610   59.100   0.7623 -0.2251000 1.077000 
1 1 1   -2    4   10 o   14.290   0.3002   14.330   0.4280   14.250   0.4210 0.7927000E-01 0.6004000 
1 1 1   -2    4   11 o   35.390   0.2560   35.630   0.3636   35.160   0.3604 0.4737000 0.5119000 
1 1 1   -2    4   12 o   26.440   0.2327   26.580   0.3273   26.300   0.3308 0.2798000 0.4653000 
1 1 1   -2    4   13 o   33.680   0.2567   33.960   0.3641   33.390   0.3620 0.5680000 0.5134000 
1 1 1   -2    4   14 o   9.5520   0.4646   9.9090   0.6167   9.1950   0.6951 0.7143000 0.9293000 
1 1 1   -2    4   15 o   48.730   0.3356   48.780   0.4738   48.670   0.4754 0.1109000 0.6712000 
1 1 1   -2    4   16 o   55.450   0.3759   55.660   0.5322   55.240   0.5311 0.4204000 0.7519000 
1 1 1   -2    4   17 o   2.7160   0.8926   3.0270   1.3480   2.4060   1.1710 0.6209000 1.785000 
1 1 1   -2    4   18 o   45.430   0.6596   45.430   0.6596  ?   ?       ?      ? 
1 1 1   -2    4   19 o   41.450   0.3841   41.150   0.5301   41.740   0.5559 -0.5888000 0.7681000 
1 1 1   -2    4   20 f   20.020   0.4228   20.050   0.5751   19.990   0.6198 0.5567000E-01 0.8456000 
1 1 1   -2    4   21 o   9.6760   0.8202   9.9360   1.0790   9.4150   1.2350 0.5212000 1.640000 
1 1 1   -2    4   22 o   18.100   0.4423   18.390   0.5997   17.820   0.6503 0.5632000 0.8846000 
1 1 1   -2    4   23 o   19.880   0.6211   20.580   0.8267   19.190   0.9273 1.393000 1.242000 
1 1 1   -2    4   24 o   33.580   0.3736   33.100   0.5328   34.070   0.5240 -0.9713000 0.7473000 
1 1 1   -2    4   25 o   10.770   0.6744   9.4280   1.0400   12.120   0.8585 -2.687000 1.349000 
1 1 1   -2    4   26 o   8.5220   0.8325   7.7930   1.2490   9.2510   1.1010 -1.458000 1.665000 
1 1 1   -2    4   27 o   11.050   0.6519   10.800   0.9230   11.310   0.9208 -0.5054000 1.304000 
1 1 1   -2    4   28 f   16.060   0.4650   16.100   0.6434   16.020   0.6714 0.8025000E-01 0.9299000 
1 1 1   -2    4   29 o   6.6430   1.0780   5.7150   1.6360   7.5710   1.4040 -1.855000 2.156000 
1 1 1   -2    4   30 o   18.170   0.4498   18.220   0.6157   18.130   0.6560 0.8659000E-01 0.8997000 
1 1 1   -2    4   31 o   18.560   0.6394   18.650   0.8882   18.470   0.9199 0.1823000 1.279000 
1 1 1   -2    4   32 o   3.8640   1.1940   3.7980   1.6550   3.9300   1.7220 -0.1328000 2.389000 
1 1 1   -2    4   33 o   6.1460   1.3470   5.8250   1.9160   6.4670   1.8940 -0.6427000 2.694000 
1 1 1   -2    4   34 o   3.5240   1.1530   3.2220   1.5270   3.8250   1.7270 -0.6026000 2.305000 
1 1 1   -2    4   35 o   3.9900   1.3190   4.3550   1.9620   3.6240   1.7640 0.7305000 2.638000 
1 1 1   -2    4   36 o   3.2090   1.0750   3.8750   1.7320   2.5430   1.2760 1.332000 2.151000 
1 1 1   -2    4   37 o   2.2720   0.8148   2.2760   1.1530   2.2680   1.1520 0.8531000E-02 1.630000 
1 1 1   -2    6    1 o   48.580   0.3162   48.310   0.4450   48.850   0.4493 -0.5402000 0.6324000 
1 1 1   -2    6    2 o   82.410   0.5635   81.920   0.7325   82.900   0.8564 -0.9825000 1.127000 
1 1 1   -2    6    3 o   99.000   0.6245   99.130   0.8842   98.870   0.8821 0.2537000 1.249000 
1 1 1   -2    6    4 o   97.300   0.6143   98.090   0.8755   96.500   0.8620 1.588000 1.229000 
1 1 1   -2    6    5 o  140.100   0.8814  140.100   1.2470  140.100   1.2460 0.2426000E-02 1.763000 
1 1 1   -2    6    6 o  141.100   0.8887  141.600   1.2610  140.600   1.2530 0.9582000 1.777000 
1 1 1   -2    6    7 o   97.960   0.7166   98.320   1.0170   97.610   1.0100 0.7073000 1.433000 
1 1 1   -2    6    8 o   50.740   0.4744   51.110   0.6757   50.380   0.6661 0.7245000 0.9488000 
1 1 1   -2    6    9 o   21.650   0.2649   21.770   0.3733   21.540   0.3759 0.2309000 0.5297000 
1 1 1   -2    6   10 o   29.870   0.2568   29.730   0.3843   30.020   0.3408 -0.2897000 0.5137000 
1 1 1   -2    6   11 o   31.810   0.2520   31.900   0.3556   31.720   0.3572 0.1770000 0.5040000 
1 1 1   -2    6   12 o   48.120   0.3262   48.360   0.4625   47.880   0.4601 0.4833000 0.6524000 
1 1 1   -2    6   13 f   58.200   0.3839   58.530   0.5452   57.870   0.5406 0.6610000 0.7678000 
1 1 1   -2    6   14 o   59.040   0.3908   59.130   0.5526   58.940   0.5527 0.1890000 0.7816000 
1 1 1   -2    6   15 o   24.480   0.4280   21.480   0.5449   27.480   0.6601 -6.002000 0.8559000 
1 1 1   -2    6   16 o   51.900   0.4152   52.960   0.5866   50.830   0.5878 2.133000 0.8304000 
1 1 1   -2    6   17 o   30.360   0.3596   30.420   0.5009   30.300   0.5161 0.1237000 0.7192000 
1 1 1   -2    6   18 o   22.360   0.5110   23.010   0.7088   21.700   0.7362 1.309000 1.022000 
1 1 1   -2    6   19 o   54.330   0.3875   54.100   0.5460   54.550   0.5499 -0.4522000 0.7749000 
1 1 1   -2    6   20 o   17.710   0.4567   17.290   0.6422   18.130   0.6496 -0.8399000 0.9134000 
1 1 1   -2    6   21 o   38.390   0.3393   38.670   0.4743   38.110   0.4853 0.5588000 0.6785000 
1 1 1   -2    6   22 o   20.510   0.4830   20.850   0.6201   20.170   0.7407 0.6790000 0.9660000 
1 1 1   -2    6   23 o   5.3860   1.4140   5.7510   1.9850   5.0200   2.0140 0.7312000 2.828000 
1 1 1   -2    6   24 f   11.550   0.6233   11.960   0.8360   11.130   0.9248 0.8267000 1.247000 
1 1 1   -2    6   25 o   3.4710   1.0560   3.1830   1.4190   3.7590   1.5630 -0.5764000 2.111000 
1 1 1   -2    6   26 o   7.9540   0.9033   8.1250   1.1780   7.7830   1.3690 0.3421000 1.807000 
1 1 1   -2    6   27 o   11.160   0.6367   11.020   0.9032   11.300   0.8976 -0.2828000 1.273000 
1 1 1   -2    6   28 o   12.760   0.5764   12.600   0.8050   12.910   0.8251 -0.3084000 1.153000 
1 1 1   -2    6   29 o   8.7400   0.8503   9.0310   1.1010   8.4490   1.2960 0.5820000 1.701000 
1 1 1   -2    6   30 o   7.0840   1.1260   6.0440   1.7050   8.1240   1.4710 -2.080000 2.251000 
1 1 1   -2    6   31 o   3.9600   1.2630   4.1630   1.8340   3.7580   1.7380 0.4056000 2.527000 
1 1 1   -2    6   32 o   4.7960   1.3010   4.7650   1.8290   4.8270   1.8510 -0.6236000E-01 2.602000 
1 1 1   -2    6   33 o   11.250   0.8780   9.5650   1.3980   12.930   1.0630 -3.362000 1.756000 
1 1 1   -2    6   34 o   3.1320   1.0610   3.2460   1.5340   3.0190   1.4660 0.2274000 2.122000 
1 1 1   -2    6   35 o   3.8260   1.2850   3.7590   1.7810   3.8940   1.8520 -0.1354000 2.570000 
1 1 1   -2    6   36 o   3.1320   1.0590   3.2290   1.5340   3.0350   1.4610 0.1934000 2.119000 
1 1 1   -2    6   37 o   2.3920   0.8516   2.5080   1.2550   2.2760   1.1510 0.2324000 1.703000 
1 1 1   -2    8    1 o   45.230   0.3029   45.160   0.4282   45.300   0.4285 -0.1406000 0.6058000 
1 1 1   -2    8    2 f   82.090   0.5214   81.600   0.7332   82.590   0.7416 -0.9863000 1.043000 
1 1 1   -2    8    3 o   77.100   0.4915   77.150   0.6953   77.060   0.6947 0.8307000E-01 0.9829000 
1 1 1   -2    8    4 o  108.400   0.7922  108.200   1.1180  108.600   1.1230 -0.3985000 1.584000 
1 1 1   -2    8    5 o   17.530   0.3559   17.250   0.5697   17.810   0.4267 -0.5600000 0.7118000 
1 1 1   -2    8    6 o   55.430   0.5151   55.560   0.7307   55.300   0.7262 0.2666000 1.030000 
1 1 1   -2    8    7 o   38.950   0.3204   38.990   0.4532   38.910   0.4530 0.7671000E-01 0.6408000 
1 1 1   -2    8    8 o   66.860   0.4323   66.720   0.6100   66.990   0.6128 -0.2738000 0.8647000 
1 1 1   -2    8    9 o   54.700   0.3620   55.010   0.5142   54.390   0.5097 0.6244000 0.7241000 
1 1 1   -2    8   10 o   17.220   0.2876   16.430   0.4125   18.010   0.4009 -1.583000 0.5752000 
1 1 1   -2    8   11 o   14.470   0.3438   14.450   0.4749   14.490   0.4972 -0.3261000E-01 0.6876000 
1 1 1   -2    8   12 o   28.340   0.2877   28.750   0.4340   27.930   0.3777 0.8147000 0.5754000 
1 1 1   -2    8   13 o   16.420   0.3914   17.000   0.4720   15.840   0.6246 1.162000 0.7829000 
1 1 1   -2    8   14 o   13.770   0.5652   13.620   0.7914   13.920   0.8073 -0.3009000 1.130000 
1 1 1   -2    8   15 o   47.140   0.3412   47.010   0.4803   47.260   0.4848 -0.2526000 0.6824000 
1 1 1   -2    8   16 o   52.370   0.4901   52.720   0.6133   52.010   0.7647 0.7130000 0.9802000 
1 1 1   -2    8   17 o   27.160   0.4699   27.670   0.6526   26.660   0.6762 1.009000 0.9397000 
1 1 1   -2    8   18 o   33.250   0.3550   32.550   0.5106   33.940   0.4934 -1.390000 0.7100000 
1 1 1   -2    8   19 o   57.790   0.4061   57.540   0.5706   58.040   0.5780 -0.4957000 0.8122000 
1 1 1   -2    8   20 o   16.880   0.4941   17.150   0.6579   16.620   0.7374 0.5309000 0.9882000 
1 1 1   -2    8   21 o   12.350   0.6342   12.500   0.8378   12.210   0.9524 0.2924000 1.268000 
1 1 1   -2    8   22 o   27.090   0.5041   27.010   0.6819   27.180   0.7425 -0.1656000 1.008000 
1 1 1   -2    8   23 f   13.800   0.6189   13.650   0.8464   13.960   0.9033 -0.3033000 1.238000 
1 1 1   -2    8   24 o   21.600   0.3769   21.990   0.5050   21.220   0.5596 0.7715000 0.7538000 
1 1 1   -2    8   25 o   20.970   0.3756   20.130   0.5157   21.810   0.5462 -1.688000 0.7512000 
1 1 1   -2    8   26 o   5.8500   1.0440   4.1160   1.5810   7.5840   1.3630 -3.468000 2.088000 
1 1 1   -2    8   27 o   5.8120   1.0680   7.2150   1.3380   4.4090   1.6650 2.806000 2.135000 
1 1 1   -2    8   28 o   6.0740   1.1100   4.6790   1.6640   7.4700   1.4700 -2.791000 2.220000 
1 1 1   -2    8   29 o   9.0300   0.8621   8.3500   1.2570   9.7100   1.1800 -1.360000 1.724000 
1 1 1   -2    8   30 o   3.7210   1.1820   3.0120   1.4560   4.4300   1.8620 -1.418000 2.364000 
1 1 1   -2    8   31 o   4.0750   1.2430   4.1410   1.7630   4.0080   1.7540 0.1326000 2.487000 
1 1 1   -2    8   32 o   6.1100   1.3380   6.8870   1.8580   5.3330   1.9250 1.554000 2.675000 
1 1 1   -2    8   33 o   5.0210   1.3360   4.0170   1.7660   6.0260   2.0040 -2.009000 2.671000 
1 1 1   -2    8   34 o   5.6190   1.4590   6.3440   2.0790   4.8940   2.0480 1.449000 2.919000 
1 1 1   -2    8   35 o   3.4690   1.1690   3.9920   1.8290   2.9470   1.4580 1.045000 2.339000 
1 1 1   -2    8   36 o   2.6320   0.9247   2.6630   1.3240   2.6000   1.2910 0.6341000E-01 1.849000 
1 1 1   -2   10    1 o   74.790   0.5540   75.060   0.7862   74.520   0.7809 0.5326000 1.108000 
1 1 1   -2   10    2 o   70.720   0.5251   70.630   0.7417   70.810   0.7436 -0.1822000 1.050000 
1 1 1   -2   10    3 o   45.230   0.3572   45.270   0.5052   45.190   0.5051 0.8385000E-01 0.7144000 
1 1 1   -2   10    4 o   36.190   0.3116   36.410   0.4416   35.970   0.4396 0.4461000 0.6231000 
1 1 1   -2   10    5 o   8.9290   0.7120   9.9680   0.7226   7.8910   1.2270 2.077000 1.424000 
1 1 1   -2   10    6 o   36.440   0.2758   36.640   0.3909   36.250   0.3891 0.3866000 0.5515000 
1 1 1   -2   10    7 o   21.570   0.2718   21.890   0.3803   21.250   0.3884 0.6425000 0.5436000 
1 1 1   -2   10    8 o   51.660   0.3498   51.680   0.4942   51.640   0.4952 0.3396000E-01 0.6996000 
1 1 1   -2   10    9 o   20.870   0.3148   20.500   0.4106   21.240   0.4773 -0.7407000 0.6296000 
1 1 1   -2   10   10 f   22.560   0.2847   22.630   0.3982   22.500   0.4071 0.1303000 0.5694000 
1 1 1   -2   10   11 o   20.240   0.3143   20.430   0.4354   20.050   0.4533 0.3772000 0.6285000 
1 1 1   -2   10   12 o   29.600   0.2950   29.870   0.4124   29.340   0.4220 0.5339000 0.5901000 
1 1 1   -2   10   13 o   62.380   0.4184   62.160   0.5889   62.610   0.5945 -0.4568000 0.8368000 
1 1 1   -2   10   14 o   51.650   0.3967   52.170   0.6023   51.140   0.5166 1.031000 0.7935000 
1 1 1   -2   10   15 o   32.930   0.3911   32.610   0.5468   33.250   0.5593 -0.6383000 0.7822000 
1 1 1   -2   10   16 o   58.670   0.5753   58.210   0.8060   59.130   0.8210 -0.9240000 1.151000 
1 1 1   -2   10   17 o   22.410   0.4213   22.550   0.5989   22.260   0.5928 0.2906000 0.8427000 
1 1 1   -2   10   18 o   33.040   0.3419   33.120   0.4724   32.960   0.4944 0.1593000 0.6838000 
1 1 1   -2   10   19 o   11.200   0.7120   10.990   0.9952   11.410   1.0190 -0.4265000 1.424000 
1 1 1   -2   10   20 o   19.570   0.4343   19.240   0.6012   19.900   0.6268 -0.6657000 0.8685000 
1 1 1   -2   10   21 o   10.740   0.9070   11.200   1.1050   10.290   1.4380 0.9155000 1.814000 
1 1 1   -2   10   22 o   24.470   0.4122   24.660   0.5804   24.280   0.5854 0.3773000 0.8244000 
1 1 1   -2   10   23 o   4.2020   1.1630   4.2590   1.6270   4.1450   1.6630 0.1138000 2.327000 
1 1 1   -2   10   24 o   6.4890   1.0530   5.2700   1.6200   7.7080   1.3450 -2.438000 2.106000 
1 1 1   -2   10   25 o   10.740   0.6584   10.100   0.9367   11.390   0.9255 -1.285000 1.317000 
1 1 1   -2   10   26 o   5.9590   1.0930   4.5510   1.6210   7.3670   1.4660 -2.816000 2.185000 
1 1 1   -2   10   27 o   7.7610   0.9691   8.4900   1.1730   7.0320   1.5430 1.458000 1.938000 
1 1 1   -2   10   28 o   6.8160   1.1190   6.3950   1.5840   7.2370   1.5790 -0.8415000 2.237000 
1 1 1   -2   10   29 o   4.2060   1.2470   4.9120   1.8980   3.5000   1.6170 1.412000 2.494000 
1 1 1   -2   10   30 o   9.1390   1.0810   8.2370   1.6020   10.040   1.4500 -1.803000 2.161000 
1 1 1   -2   10   31 o   5.3440   1.3310   4.9990   1.8450   5.6890   1.9190 -0.6904000 2.662000 
1 1 1   -2   10   32 o   4.1990   1.2500   3.9140   1.6980   4.4840   1.8360 -0.5700000 2.501000 
1 1 1   -2   10   33 o   4.5420   1.3300   4.3310   1.8220   4.7530   1.9380 -0.4218000 2.660000 
1 1 1   -2   10   34 o   3.3650   1.1710   3.4690   1.6890   3.2610   1.6220 0.2077000 2.342000 
1 1 1   -2   10   35 o   5.1800   1.3570   5.8650   1.9700   4.4950   1.8650 1.370000 2.713000 
1 1 1   -2   10   36 o   2.0610   0.7456   2.2260   1.1290   1.8960   0.9746 0.3309000 1.491000 
1 1 1   -2   12    1 f   60.890   0.3994   61.060   0.5661   60.720   0.5636 0.3439000 0.7989000 
1 1 1   -2   12    2 o   62.230   0.4073   62.280   0.5763   62.180   0.5757 0.1002000 0.8146000 
1 1 1   -2   12    3 f   86.770   0.5545   86.320   0.7803   87.220   0.7881 -0.9072000 1.109000 
1 1 1   -2   12    4 o   42.000   0.3303   41.990   0.4292   42.010   0.5021 -0.1590000E-01 0.6605000 
1 1 1   -2   12    5 o   40.540   0.3003   40.730   0.4247   40.340   0.4246 0.3885000 0.6005000 
1 1 1   -2   12    6 o   68.630   0.4835   68.900   0.7329   68.350   0.6310 0.5494000 0.9671000 
1 1 1   -2   12    7 o   14.580   0.3979   14.710   0.5574   14.450   0.5679 0.2525000 0.7957000 
1 1 1   -2   12    8 o   22.460   0.3497   22.980   0.4768   21.950   0.5116 1.025000 0.6994000 
1 1 1   -2   12    9 o   44.280   0.3263   44.270   0.4596   44.280   0.4634 -0.1425000E-01 0.6527000 
1 1 1   -2   12   10 o   16.150   0.4421   16.540   0.5664   15.770   0.6788 0.7723000 0.8841000 
1 1 1   -2   12   11 o   5.1160   1.1150   5.3490   1.5310   4.8830   1.6210 0.4658000 2.229000 
1 1 1   -2   12   12 o   17.520   0.4072   17.300   0.5769   17.740   0.5749 -0.4414000 0.8144000 
1 1 1   -2   12   13 o   37.430   0.3838   37.000   0.5418   37.850   0.5437 -0.8414000 0.7675000 
1 1 1   -2   12   14 o   29.110   0.4778   29.960   0.6714   28.270   0.6799 1.688000 0.9555000 
1 1 1   -2   12   15 o   27.340   0.4042   27.730   0.5535   26.950   0.5892 0.7821000 0.8084000 
1 1 1   -2   12   16 o   70.940   0.4767   70.720   0.6723   71.170   0.6759 -0.4466000 0.9533000 
1 1 1   -2   12   17 o   73.160   0.4902   72.870   0.6894   73.450   0.6971 -0.5799000 0.9804000 
1 1 1   -2   12   18 o   9.6500   0.8561   9.9090   1.1450   9.3900   1.2730 0.5193000 1.712000 
1 1 1   -2   12   19 o   8.9690   1.0870   7.3750   1.6760   10.560   1.3860 -3.189000 2.175000 
1 1 1   -2   12   20 o   24.200   0.5414   24.780   0.7083   23.630   0.8191 1.147000 1.083000 
1 1 1   -2   12   21 o   14.770   0.6087   14.390   0.8697   15.140   0.8520 -0.7502000 1.217000 
1 1 1   -2   12   22 o   14.680   0.5274   15.920   0.6456   13.430   0.8342 2.487000 1.055000 
1 1 1   -2   12   23 o   26.130   0.3455   25.820   0.4705   26.440   0.5060 -0.6251000 0.6909000 
1 1 1   -2   12   24 o   15.760   0.4832   15.770   0.6435   15.760   0.7209 0.4358000E-02 0.9663000 
1 1 1   -2   12   25 o   13.030   0.5665   12.140   0.8112   13.920   0.7911 -1.779000 1.133000 
1 1 1   -2   12   26 o   3.5140   1.0760   3.2830   1.4470   3.7440   1.5920 -0.4616000 2.151000 
1 1 1   -2   12   27 o   9.2830   0.8621   9.7290   1.0650   8.8380   1.3560 0.8911000 1.724000 
1 1 1   -2   12   28 o   5.8430   1.3760   5.8720   1.9520   5.8140   1.9400 0.5794000E-01 2.751000 
1 1 1   -2   12   29 o   11.580   1.0110   12.560   1.2640   10.600   1.5790 1.954000 2.023000 
1 1 1   -2   12   30 o   4.9400   1.2940   4.8820   1.7850   4.9970   1.8740 -0.1147000 2.589000 
1 1 1   -2   12   31 o   4.2380   1.2450   4.8200   1.8550   3.6560   1.6620 1.163000 2.490000 
1 1 1   -2   12   32 o   6.4080   1.3270   5.1690   1.9160   7.6480   1.8370 -2.479000 2.655000 
1 1 1   -2   12   33 o   3.7800   1.2270   4.2440   1.8480   3.3160   1.6150 0.9282000 2.454000 
1 1 1   -2   12   34 o   3.1230   1.0750   3.1220   1.5210   3.1230   1.5190 -0.1131000E-02 2.149000 
1 1 1   -2   12   35 o   2.6530   0.9272   2.7890   1.3640   2.5180   1.2560 0.2711000 1.854000 
1 1 1   -2   14    1 o   67.500   0.4415   67.630   0.6253   67.380   0.6233 0.2472000 0.8829000 
1 1 1   -2   14    2 o   38.760   0.3006   38.920   0.4269   38.600   0.4233 0.3236000 0.6012000 
1 1 1   -2   14    3 o   33.830   0.2918   34.000   0.4138   33.670   0.4114 0.3386000 0.5835000 
1 1 1   -2   14    4 o   77.770   0.5034   77.470   0.7094   78.060   0.7145 -0.5847000 1.007000 
1 1 1   -2   14    5 o   49.360   0.3497   49.550   0.4947   49.170   0.4944 0.3748000 0.6994000 
1 1 1   -2   14    6 o   45.390   0.3358   45.850   0.4760   44.930   0.4736 0.9170000 0.6715000 
1 1 1   -2   14    7 o   79.790   0.5176   79.900   0.7319   79.690   0.7320 0.2076000 1.035000 
1 1 1   -2   14    8 o   57.130   0.3934   57.610   0.5594   56.640   0.5533 0.9671000 0.7868000 
1 1 1   -2   14    9 o   28.870   0.3281   28.970   0.4596   28.770   0.4684 0.1956000 0.6562000 
1 1 1   -2   14   10 o   64.910   0.4384   65.060   0.6210   64.770   0.6190 0.2840000 0.8768000 
1 1 1   -2   14   11 o   39.170   0.4020   39.230   0.5683   39.100   0.5687 0.1328000 0.8040000 
1 1 1   -2   14   12 o   14.330   0.8086   14.900   1.0770   13.770   1.2060 1.127000 1.617000 
1 1 1   -2   14   13 o   39.260   0.3906   39.280   0.5429   39.240   0.5618 0.4014000E-01 0.7813000 
1 1 1   -2   14   14 o   41.860   0.3579   41.960   0.5022   41.760   0.5100 0.1906000 0.7157000 
1 1 1   -2   14   15 o   33.420   0.3596   33.410   0.4946   33.440   0.5220 -0.2261000E-01 0.7191000 
1 1 1   -2   14   16 o   36.570   0.3580   36.650   0.5016   36.490   0.5110 0.1563000 0.7160000 
1 1 1   -2   14   17 o   23.910   0.3981   23.700   0.5414   24.130   0.5837 -0.4323000 0.7961000 
1 1 1   -2   14   18 o   10.240   1.0290   11.610   1.0670   8.8780   1.7610 2.731000 2.058000 
1 1 1   -2   14   19 o   26.520   0.4724   26.790   0.6940   26.250   0.6412 0.5449000 0.9449000 
1 1 1   -2   14   20 o   21.140   0.4556   21.560   0.6366   20.710   0.6520 0.8548000 0.9112000 
1 1 1   -2   14   21 o   21.490   0.3876   21.400   0.5349   21.570   0.5610 -0.1677000 0.7751000 
1 1 1   -2   14   22 o   7.6480   1.1130   7.0470   1.7420   8.2480   1.3850 -1.201000 2.225000 
1 1 1   -2   14   23 o   14.810   0.5249   14.620   0.7003   15.010   0.7821 -0.3873000 1.050000 
1 1 1   -2   14   24 o   7.6590   0.9935   7.0790   1.4060   8.2380   1.4040 -1.159000 1.987000 
1 1 1   -2   14   25 o   14.280   0.5465   14.300   0.7231   14.250   0.8196 0.5390000E-01 1.093000 
1 1 1   -2   14   26 o   9.0230   0.8935   7.3760   1.4040   10.670   1.1060 -3.295000 1.787000 
1 1 1   -2   14   27 o   6.0790   1.3560   6.5880   1.8660   5.5700   1.9680 1.017000 2.712000 
1 1 1   -2   14   28 o   6.0610   1.4780   6.1790   2.0050   5.9430   2.1710 0.2359000 2.956000 
1 1 1   -2   14   29 o   10.700   0.9204   10.090   1.2790   11.300   1.3230 -1.213000 1.841000 
1 1 1   -2   14   30 o   5.5020   1.3700   5.3330   1.8960   5.6710   1.9770 -0.3380000 2.739000 
1 1 1   -2   14   31 o   4.5660   1.2470   5.8290   1.9420   3.3020   1.5660 2.528000 2.495000 
1 1 1   -2   14   32 o   5.7170   1.3690   7.3100   1.9770   4.1240   1.8930 3.186000 2.738000 
1 1 1   -2   14   33 o   3.4350   1.1560   3.4540   1.6320   3.4150   1.6360 0.3885000E-01 2.311000 
1 1 1   -2   14   34 o   2.5420   0.8990   2.0860   1.0620   2.9970   1.4510 -0.9113000 1.798000 
1 1 1   -2   16    1 o   38.980   0.3190   39.320   0.4528   38.640   0.4495 0.6819000 0.6380000 
1 1 1   -2   16    2 o   96.260   0.6168   96.410   0.8735   96.120   0.8711 0.2935000 1.234000 
1 1 1   -2   16    3 o   39.490   0.4006   38.380   0.4517   40.590   0.6617 -2.218000 0.8012000 
1 1 1   -2   16    4 o   62.610   0.4230   62.680   0.5975   62.550   0.5990 0.1324000 0.8461000 
1 1 1   -2   16    5 o   75.470   0.4949   75.400   0.6982   75.530   0.7015 -0.1343000 0.9898000 
1 1 1   -2   16    6 o   43.190   0.3682   43.280   0.4785   43.110   0.5597 0.1670000 0.7364000 
1 1 1   -2   16    7 o   22.790   0.4617   23.420   0.6274   22.170   0.6775 1.244000 0.9233000 
1 1 1   -2   16    8 f   28.750   0.4202   28.560   0.5801   28.930   0.6082 -0.3700000 0.8405000 
1 1 1   -2   16    9 o   23.140   0.5688   22.960   0.7975   23.320   0.8114 -0.3635000 1.138000 
1 1 1   -2   16   10 o   31.300   0.4070   31.470   0.5648   31.130   0.5863 0.3445000 0.8141000 
1 1 1   -2   16   11 o   47.290   0.4243   47.240   0.5963   47.340   0.6038 -0.9532000E-01 0.8486000 
1 1 1   -2   16   12 o   33.090   0.3696   33.370   0.5135   32.820   0.5317 0.5465000 0.7392000 
1 1 1   -2   16   13 o   39.550   0.3628   39.600   0.5091   39.510   0.5171 0.9330000E-01 0.7257000 
1 1 1   -2   16   14 o   9.9350   0.9053   9.7080   1.2430   10.160   1.3160 -0.4549000 1.811000 
1 1 1   -2   16   15 o   8.0080   1.1050   8.4170   1.3870   7.5990   1.7200 0.8183000 2.209000 
1 1 1   -2   16   16 o   8.9520   1.1740   10.250   1.2790   7.6580   1.9680 2.589000 2.348000 
1 1 1   -2   16   17 o   8.2190   1.3850   9.4060   1.6550   7.0310   2.2200 2.375000 2.769000 
1 1 1   -2   16   18 o   12.750   0.7295   12.350   1.0260   13.160   1.0380 -0.8049000 1.459000 
1 1 1   -2   16   19 o   2.8990   0.9683   3.0970   1.4220   2.7010   1.3150 0.3959000 1.937000 
1 1 1   -2   16   20 o   10.310   0.7323   10.460   0.9745   10.150   1.0930 0.3118000 1.465000 
1 1 1   -2   16   21 o   3.6020   1.0990   3.1180   1.4240   4.0860   1.6750 -0.9681000 2.198000 
1 1 1   -2   16   22 o   3.4320   1.0720   3.2430   1.4490   3.6220   1.5810 -0.3790000 2.145000 
1 1 1   -2   16   23 o   14.790   0.5332   14.810   0.7075   14.770   0.7979 0.4125000E-01 1.066000 
1 1 1   -2   16   24 o   6.2020   1.1720   7.1980   1.4890   5.2070   1.8110 1.991000 2.344000 
1 1 1   -2   16   25 o   18.100   0.4725   17.080   0.6694   19.130   0.6670 -2.049000 0.9450000 
1 1 1   -2   16   26 o   7.0830   1.3170   5.9340   1.9690   8.2310   1.7490 -2.297000 2.634000 
1 1 1   -2   16   27 o   4.6780   1.2610   5.6020   1.8610   3.7540   1.7020 1.848000 2.522000 
1 1 1   -2   16   28 o   9.3280   1.0660   9.4060   1.4830   9.2490   1.5310 0.1572000 2.132000 
1 1 1   -2   16   29 o   5.4810   1.3190   6.5050   1.8720   4.4570   1.8580 2.048000 2.638000 
1 1 1   -2   16   30 o   7.7150   1.2160   9.7930   1.3560   5.6380   2.0190 4.156000 2.433000 
1 1 1   -2   16   31 o   3.0650   1.0620   2.9300   1.4380   3.1990   1.5620 -0.2681000 2.123000 
1 1 1   -2   16   32 o   4.2840   1.3220   3.7170   1.7140   4.8500   2.0140 -1.133000 2.645000 
1 1 1   -2   16   33 o   2.1420   0.7734   1.9670   1.0090   2.3180   1.1730 -0.3517000 1.547000 
1 1 1   -2   18    1 o   45.540   0.5020   45.970   0.7252   45.120   0.6943 0.8504000 1.004000 
1 1 1   -2   18    2 o   33.400   0.4831   35.140   0.6929   31.650   0.6733 3.492000 0.9662000 
1 1 1   -2   18    3 o   50.160   0.5272   51.290   0.7633   49.040   0.7273 2.252000 1.054000 
1 1 1   -2   18    4 f   21.270   0.6344   21.120   0.9048   21.420   0.8895 -0.3061000 1.269000 
1 1 1   -2   18    5 o   42.620   0.4129   42.740   0.5800   42.510   0.5880 0.2378000 0.8259000 
1 1 1   -2   18    6 o   19.590   0.5467   19.440   0.7647   19.730   0.7816 -0.2895000 1.093000 
1 1 1   -2   18    7 o   13.920   0.7445   12.470   1.1420   15.380   0.9550 -2.910000 1.489000 
1 1 1   -2   18    8 o   23.400   0.4270   23.170   0.5856   23.640   0.6217 -0.4704000 0.8540000 
1 1 1   -2   18    9 o   27.130   0.3969   27.450   0.5406   26.800   0.5812 0.6487000 0.7938000 
1 1 1   -2   18   10 o   32.410   0.3689   32.580   0.5007   32.240   0.5418 0.3351000 0.7377000 
1 1 1   -2   18   11 o   12.830   0.7385   13.710   0.9328   11.950   1.1450 1.760000 1.477000 
1 1 1   -2   18   12 o   27.540   0.3948   27.280   0.5480   27.800   0.5685 -0.5125000 0.7896000 
1 1 1   -2   18   13 o   27.160   0.4527   26.980   0.6103   27.340   0.6687 -0.3594000 0.9053000 
1 1 1   -2   18   14 o   40.540   0.4149   40.010   0.5641   41.060   0.6085 -1.048000 0.8298000 
1 1 1   -2   18   15 o   14.210   0.6935   13.760   0.9733   14.660   0.9882 -0.8941000 1.387000 
1 1 1   -2   18   16 o   5.3330   1.3230   5.5240   1.8540   5.1420   1.8880 0.3818000 2.646000 
1 1 1   -2   18   17 o   9.4270   0.8529   9.4160   1.1340   9.4390   1.2740 -0.2289000E-01 1.706000 
1 1 1   -2   18   18 o   12.690   0.5950   13.050   0.7902   12.320   0.8898 0.7282000 1.190000 
1 1 1   -2   18   19 o   27.410   0.3547   27.380   0.4949   27.440   0.5084 -0.6264000E-01 0.7094000 
1 1 1   -2   18   20 o   28.220   0.3559   28.110   0.4966   28.330   0.5100 -0.2260000 0.7118000 
1 1 1   -2   18   21 o   11.500   0.6903   11.080   0.9819   11.930   0.9705 -0.8507000 1.381000 
1 1 1   -2   18   22 f   15.460   0.5318   15.630   0.7210   15.300   0.7819 0.3306000 1.064000 
1 1 1   -2   18   23 o   12.450   0.6636   13.200   0.8371   11.700   1.0300 1.508000 1.327000 
1 1 1   -2   18   24 o   4.1810   1.2580   3.7280   1.6230   4.6340   1.9230 -0.9056000 2.516000 
1 1 1   -2   18   25 o   10.130   1.0820   9.8910   1.5340   10.360   1.5260 -0.4678000 2.164000 
1 1 1   -2   18   26 o   4.4900   1.2590   5.4330   1.8990   3.5470   1.6520 1.886000 2.517000 
1 1 1   -2   18   27 o   9.2370   1.0440   9.3780   1.3590   9.0960   1.5840 0.2818000 2.087000 
1 1 1   -2   18   28 o   3.5290   1.1470   3.3370   1.5590   3.7200   1.6830 -0.3822000 2.294000 
1 1 1   -2   18   29 o   9.4520   1.0760   8.8500   1.5940   10.050   1.4470 -1.205000 2.153000 
1 1 1   -2   18   30 o   8.7730   1.3380   8.6810   1.8730   8.8660   1.9120 -0.1854000 2.677000 
1 1 1   -2   18   31 o   3.4930   1.1700   3.6980   1.7110   3.2880   1.5960 0.4100000 2.340000 
1 1 1   -2   18   32 o   2.6140   0.9154   2.4660   1.2310   2.7620   1.3550 -0.2969000 1.831000 
1 1 1   -2   20    1 o   26.450   0.3900   26.710   0.5474   26.190   0.5557 0.5228000 0.7800000 
1 1 1   -2   20    2 o   28.120   0.3787   28.460   0.5325   27.770   0.5386 0.6903000 0.7574000 
1 1 1   -2   20    3 o   28.620   0.3749   28.970   0.5266   28.260   0.5338 0.7114000 0.7498000 
1 1 1   -2   20    4 o   49.120   0.4105   48.940   0.5304   49.300   0.6268 -0.3586000 0.8211000 
1 1 1   -2   20    5 o   40.870   0.3610   41.120   0.5011   40.620   0.5197 0.4931000 0.7220000 
1 1 1   -2   20    6 o   7.3980   1.2240   8.5870   1.5040   6.2090   1.9310 2.378000 2.448000 
1 1 1   -2   20    7 f   21.250   0.4542   20.990   0.6245   21.510   0.6597 -0.5189000 0.9084000 
1 1 1   -2   20    8 o   12.100   0.7391   12.250   0.9670   11.960   1.1180 0.2877000 1.478000 
1 1 1   -2   20    9 f   28.200   0.3983   28.560   0.5588   27.850   0.5677 0.7119000 0.7966000 
1 1 1   -2   20   10 o   22.560   0.4972   23.350   0.6201   21.770   0.7773 1.581000 0.9943000 
1 1 1   -2   20   11 o   13.850   0.7097   13.590   0.9165   14.120   1.0840 -0.5296000 1.419000 
1 1 1   -2   20   12 o   13.110   0.7801   14.540   0.9866   11.690   1.2090 2.853000 1.560000 
1 1 1   -2   20   13 o   9.1870   1.0670   9.5070   1.3980   8.8680   1.6110 0.6385000 2.133000 
1 1 1   -2   20   14 o   4.6410   1.2420   4.8060   1.7300   4.4750   1.7820 0.3318000 2.483000 
1 1 1   -2   20   15 o   10.990   0.7646   12.200   0.8937   9.7720   1.2410 2.427000 1.529000 
1 1 1   -2   20   16 o   15.810   0.5117   14.990   0.7235   16.640   0.7239 -1.642000 1.023000 
1 1 1   -2   20   17 o   9.9120   0.7999   10.240   1.0320   9.5890   1.2230 0.6464000 1.600000 
1 1 1   -2   20   18 o   12.170   0.6674   12.530   0.8655   11.810   1.0160 0.7183000 1.335000 
1 1 1   -2   20   19 o   15.910   0.5226   15.770   0.7227   16.050   0.7552 -0.2733000 1.045000 
1 1 1   -2   20   20 o   9.6540   0.8812   11.030   1.0100   8.2810   1.4440 2.746000 1.762000 
1 1 1   -2   20   21 o   18.860   0.4799   18.590   0.6698   19.130   0.6875 -0.5352000 0.9598000 
1 1 1   -2   20   22 o   8.6530   1.0220   7.6250   1.5530   9.6810   1.3300 -2.055000 2.044000 
1 1 1   -2   20   23 o   4.9380   1.4020   5.3940   2.0570   4.4810   1.9060 0.9132000 2.805000 
1 1 1   -2   20   24 o   5.1660   1.2640   6.6750   1.8720   3.6580   1.6990 3.017000 2.528000 
1 1 1   -2   20   25 o   3.8600   1.2290   3.3180   1.5560   4.4020   1.9040 -1.084000 2.459000 
1 1 1   -2   20   26 o   5.9110   1.3380   6.3910   1.8210   5.4310   1.9620 0.9600000 2.677000 
1 1 1   -2   20   27 o   4.1920   1.2610   3.8300   1.6950   4.5540   1.8680 -0.7247000 2.523000 
1 1 1   -2   20   28 o   3.3010   1.1250   3.3750   1.6090   3.2280   1.5740 0.1470000 2.251000 
1 1 1   -2   20   29 o   3.7720   1.2400   3.5530   1.6760   3.9910   1.8280 -0.4385000 2.480000 
1 1 1   -2   20   30 o   3.6950   1.2170   3.4250   1.6270   3.9650   1.8100 -0.5403000 2.434000 
1 1 1   -2   20   31 o   2.5150   0.9066   2.5830   1.2970   2.4480   1.2670 0.1343000 1.813000 
1 1 1   -2   22    1 o   35.020   0.3735   34.610   0.4843   35.430   0.5686 -0.8200000 0.7469000 
1 1 1   -2   22    2 o   15.880   0.6026   14.770   0.8731   17.000   0.8308 -2.231000 1.205000 
1 1 1   -2   22    3 o   44.700   0.4109   44.380   0.5709   45.030   0.5912 -0.6450000 0.8219000 
1 1 1   -2   22    4 o   17.650   0.6495   16.390   0.8038   18.920   1.0210 -2.536000 1.299000 
1 1 1   -2   22    5 o   27.810   0.4300   27.490   0.5671   28.130   0.6464 -0.6382000 0.8599000 
1 1 1   -2   22    6 o   9.1890   1.3170   10.920   1.4300   7.4600   2.2130 3.459000 2.635000 
1 1 1   -2   22    7 o   16.980   0.7307   17.800   0.8857   16.160   1.1630 1.642000 1.461000 
1 1 1   -2   22    8 o   15.130   0.6351   14.660   0.8821   15.600   0.9140 -0.9430000 1.270000 
1 1 1   -2   22    9 o   3.7630   1.1770   3.2170   1.5050   4.3100   1.8110 -1.093000 2.354000 
1 1 1   -2   22   10 o   13.500   0.6261   13.210   0.8265   13.790   0.9408 -0.5845000 1.252000 
1 1 1   -2   22   11 o   20.680   0.4304   21.800   0.5524   19.570   0.6601 2.228000 0.8608000 
1 1 1   -2   22   12 o   5.4790   1.1750   3.9020   1.6230   7.0560   1.7000 -3.154000 2.351000 
1 1 1   -2   22   13 o   14.790   0.5662   14.350   0.7768   15.240   0.8238 -0.8980000 1.132000 
1 1 1   -2   22   14 o   23.820   0.3918   23.900   0.5336   23.740   0.5738 0.1582000 0.7836000 
1 1 1   -2   22   15 o   7.4160   1.1130   7.9520   1.4050   6.8800   1.7260 1.072000 2.226000 
1 1 1   -2   22   16 o   7.6700   1.0980   6.7970   1.5990   8.5440   1.5040 -1.747000 2.195000 
1 1 1   -2   22   17 o   4.5780   1.1230   6.0730   1.7050   3.0840   1.4600 2.989000 2.245000 
1 1 1   -2   22   18 o   4.0430   1.1710   3.2610   1.4940   4.8250   1.8030 -1.564000 2.341000 
1 1 1   -2   22   19 o   5.0330   1.2090   6.2070   1.7400   3.8580   1.6780 2.349000 2.417000 
1 1 1   -2   22   20 o   12.190   0.7403   12.040   1.0270   12.340   1.0660 -0.3013000 1.481000 
1 1 1   -2   22   21 o   4.3650   1.3220   3.4390   1.6350   5.2910   2.0770 -1.852000 2.643000 
1 1 1   -2   22   22 o   5.4460   1.3450   6.4050   1.9070   4.4870   1.8980 1.918000 2.690000 
1 1 1   -2   22   23 o   18.880   0.6013   19.700   0.7760   18.060   0.9188 1.635000 1.203000 
1 1 1   -2   22   24 o   6.2310   1.2850   4.5660   1.8310   7.8950   1.8030 -3.329000 2.570000 
1 1 1   -2   22   25 o   4.0570   1.2000   5.1910   1.9280   2.9230   1.4300 2.268000 2.401000 
1 1 1   -2   22   26 o   4.3540   1.3280   4.9300   1.9840   3.7780   1.7640 1.152000 2.655000 
1 1 1   -2   22   27 o   3.7360   1.2150   4.2700   1.8620   3.2030   1.5610 1.066000 2.430000 
1 1 1   -2   22   28 o   3.6560   1.1900   2.8250   1.4060   4.4860   1.9200 -1.660000 2.380000 
1 1 1   -2   22   29 o   2.6660   0.9299   2.8430   1.3840   2.4880   1.2420 0.3550000 1.860000 
1 1 1   -2   24    1 o   28.500   0.3479   28.800   0.4811   28.210   0.5029 0.5845000 0.6959000 
1 1 1   -2   24    2 f   16.030   0.5050   15.890   0.7029   16.180   0.7252 -0.2872000 1.010000 
1 1 1   -2   24    3 o   36.250   0.3383   36.090   0.4717   36.400   0.4851 -0.3042000 0.6767000 
1 1 1   -2   24    4 o   23.200   0.4255   21.920   0.5546   24.470   0.6453 -2.547000 0.8509000 
1 1 1   -2   24    5 o   24.800   0.3854   24.660   0.5183   24.940   0.5707 -0.2731000 0.7709000 
1 1 1   -2   24    6 o   20.520   0.4360   20.290   0.5874   20.740   0.6444 -0.4486000 0.8720000 
1 1 1   -2   24    7 o   30.610   0.3534   30.710   0.4826   30.520   0.5164 0.1880000 0.7068000 
1 1 1   -2   24    8 o   20.380   0.4331   20.040   0.5929   20.730   0.6314 -0.6925000 0.8661000 
1 1 1   -2   24    9 o   16.550   0.5042   16.470   0.6788   16.620   0.7458 -0.1518000 1.008000 
1 1 1   -2   24   10 o   19.070   0.4538   19.170   0.6013   18.970   0.6798 0.1946000 0.9076000 
1 1 1   -2   24   11 o   4.7020   1.1500   3.1340   1.4390   6.2690   1.7950 -3.135000 2.300000 
1 1 1   -2   24   12 o   7.8570   1.0580   7.3450   1.5040   8.3690   1.4900 -1.025000 2.117000 
1 1 1   -2   24   13 o   9.6410   0.8665   10.270   1.0990   9.0150   1.3400 1.252000 1.733000 
1 1 1   -2   24   14 o   8.5280   1.0060   8.7530   1.2710   8.3020   1.5590 0.4514000 2.011000 
1 1 1   -2   24   15 o   8.8460   0.9832   9.4230   1.1890   8.2700   1.5660 1.153000 1.966000 
1 1 1   -2   24   16 o   6.2350   1.1980   4.6090   1.7780   7.8610   1.6060 -3.252000 2.396000 
1 1 1   -2   24   17 o   6.8050   1.2550   7.1310   1.6530   6.4790   1.8880 0.6518000 2.510000 
1 1 1   -2   24   18 o   5.3180   1.4710   5.4580   2.0780   5.1780   2.0820 0.2801000 2.941000 
1 1 1   -2   24   19 o   7.3940   1.4380   6.1060   2.1450   8.6830   1.9150 -2.576000 2.875000 
1 1 1   -2   24   20 o   8.5050   1.2360   8.3280   1.6980   8.6820   1.7960 -0.3545000 2.472000 
1 1 1   -2   24   21 o   3.7260   1.2110   3.1350   1.5090   4.3170   1.8940 -1.182000 2.421000 
1 1 1   -2   24   22 o   10.530   0.9413   10.290   1.2950   10.780   1.3660 -0.4916000 1.883000 
1 1 1   -2   24   23 o   6.5290   1.3480   7.4450   1.8020   5.6130   2.0050 1.832000 2.696000 
1 1 1   -2   24   24 o   3.8800   1.2280   4.7890   1.9700   2.9710   1.4670 1.818000 2.456000 
1 1 1   -2   24   25 o   2.9240   1.0210   2.9510   1.4510   2.8970   1.4380 0.5431000E-01 2.043000 
1 1 1   -2   24   26 o   4.9750   1.4200   4.5080   1.9130   5.4410   2.0980 -0.9335000 2.840000 
1 1 1   -2   24   27 o   2.8890   1.0090   2.8150   1.3920   2.9630   1.4610 -0.1483000 2.018000 
1 1 1   -2   26    1 o   4.7920   1.2220   5.1180   1.7290   4.4660   1.7270 0.6527000 2.444000 
1 1 1   -2   26    2 o   15.550   0.5185   16.000   0.6979   15.100   0.7669 0.9023000 1.037000 
1 1 1   -2   26    3 o   24.930   0.3720   24.460   0.5219   25.400   0.5301 -0.9415000 0.7439000 
1 1 1   -2   26    4 o   6.4910   1.2260   6.7480   1.6210   6.2330   1.8410 0.5150000 2.453000 
1 1 1   -2   26    5 o   26.430   0.3806   26.330   0.5181   26.530   0.5576 -0.1968000 0.7612000 
1 1 1   -2   26    6 o   20.060   0.4480   19.890   0.6014   20.230   0.6642 -0.3362000 0.8960000 
1 1 1   -2   26    7 o   4.5310   1.2450   4.1660   1.6830   4.8950   1.8350 -0.7295000 2.490000 
1 1 1   -2   26    8 o   15.520   0.5570   15.420   0.7519   15.610   0.8219 -0.1933000 1.114000 
1 1 1   -2   26    9 o   7.0260   1.1850   6.0350   1.7410   8.0160   1.6070 -1.981000 2.370000 
1 1 1   -2   26   10 o   8.6490   1.0130   9.3260   1.2400   7.9730   1.6020 1.353000 2.025000 
1 1 1   -2   26   11 f   17.490   0.5230   17.630   0.6935   17.350   0.7832 0.2710000 1.046000 
1 1 1   -2   26   12 o   14.620   0.6139   15.260   0.7736   13.980   0.9533 1.280000 1.228000 
1 1 1   -2   26   13 o   22.310   0.4393   23.010   0.5840   21.610   0.6564 1.398000 0.8786000 
1 1 1   -2   26   14 o   4.5960   1.2730   4.2610   1.7240   4.9300   1.8740 -0.6692000 2.547000 
1 1 1   -2   26   15 o   5.9610   1.4470   6.5030   2.0170   5.4190   2.0760 1.085000 2.895000 
1 1 1   -2   26   16 o   10.540   1.1060   12.030   1.3260   9.0470   1.7710 2.981000 2.213000 
1 1 1   -2   26   17 o   4.2700   1.2930   4.5920   1.8820   3.9480   1.7740 0.6441000 2.586000 
1 1 1   -2   26   18 o   3.5810   1.1780   3.4940   1.6250   3.6680   1.7050 -0.1739000 2.355000 
1 1 1   -2   26   19 o   4.0910   1.2540   4.4630   1.8380   3.7180   1.7070 0.7444000 2.509000 
1 1 1   -2   26   20 o   3.9610   1.2170   3.0830   1.4830   4.8380   1.9290 -1.755000 2.433000 
1 1 1   -2   26   21 o   3.9560   1.2390   4.2080   1.8080   3.7050   1.6950 0.5030000 2.478000 
1 1 1   -2   26   22 o   3.8350   1.2470   3.6710   1.6970   4.0000   1.8280 -0.3290000 2.494000 
1 1 1   -2   26   23 o   4.1720   1.2750   4.9550   1.9670   3.3890   1.6230 1.567000 2.550000 
1 1 1   -2   26   24 o   2.8010   0.9842   2.8350   1.4040   2.7670   1.3800 0.6810000E-01 1.968000 
1 1 1   -2   26   25 o   2.4960   0.8916   2.3790   1.2070   2.6120   1.3130 -0.2322000 1.783000 
1 1 1   -2   28    1 o   6.6770   1.1940   5.7520   1.7860   7.6020   1.5860 -1.850000 2.388000 
1 1 1   -2   28    2 o   6.5500   1.1800   5.2680   1.7890   7.8320   1.5380 -2.564000 2.359000 
1 1 1   -2   28    3 o   13.590   0.6260   13.460   0.8852   13.720   0.8855 -0.2613000 1.252000 
1 1 1   -2   28    4 o   5.7620   1.2410   4.3370   1.7340   7.1880   1.7760 -2.851000 2.482000 
1 1 1   -2   28    5 o   13.000   0.6827   12.720   0.9353   13.290   0.9948 -0.5673000 1.365000 
1 1 1   -2   28    6 o   5.6100   1.2500   6.7380   1.7110   4.4810   1.8240 2.257000 2.501000 
1 1 1   -2   28    7 o   15.990   0.5625   15.850   0.7641   16.130   0.8257 -0.2759000 1.125000 
1 1 1   -2   28    8 o   4.2440   1.1750   2.8600   1.3760   5.6280   1.9050 -2.767000 2.350000 
1 1 1   -2   28    9 o   7.3680   1.2010   7.8840   1.5470   6.8510   1.8380 1.032000 2.402000 
1 1 1   -2   28   10 o   6.1640   1.4330   6.3450   1.9800   5.9830   2.0720 0.3624000 2.866000 
1 1 1   -2   28   11 o   13.370   0.8288   13.560   1.1150   13.190   1.2270 0.3674000 1.658000 
1 1 1   -2   28   12 o   17.540   0.6515   18.130   0.8729   16.950   0.9675 1.187000 1.303000 
1 1 1   -2   28   13 o   4.5600   1.3130   5.3940   2.0000   3.7260   1.7030 1.668000 2.627000 
1 1 1   -2   28   14 o   4.5410   1.3400   4.3240   1.8380   4.7570   1.9510 -0.4323000 2.680000 
1 1 1   -2   28   15 o   4.5790   1.3590   4.6180   1.9090   4.5400   1.9330 0.7760000E-01 2.717000 
1 1 1   -2   28   16 o   4.3010   1.2760   4.7470   1.8660   3.8550   1.7400 0.8918000 2.552000 
1 1 1   -2   28   17 o   5.7820   1.3860   5.3380   1.9270   6.2260   1.9930 -0.8875000 2.772000 
1 1 1   -2   28   18 o   5.6130   1.3900   5.6350   1.9380   5.5920   1.9930 0.4252000E-01 2.780000 
1 1 1   -2   28   19 o   3.6030   1.1950   3.4310   1.6180   3.7750   1.7590 -0.3442000 2.390000 
1 1 1   -2   28   20 o   2.9680   1.0510   3.1300   1.5690   2.8070   1.3970 0.3234000 2.101000 
1 1 1   -2   28   21 o   3.6460   1.2190   3.6830   1.7500   3.6090   1.6980 0.7418000E-01 2.438000 
1 1 1   -2   28   22 o   2.4780   0.8938   2.8210   1.4130   2.1350   1.0940 0.6865000 1.788000 
1 1 1   -2   28   23 o   2.1620   1.1240  ?   ?    2.1620   1.1240      ?      ? 
1 1 1   -2   30    1 o   8.4130   1.2280   10.040   1.4420   6.7880   1.9890 3.252000 2.456000 
1 1 1   -2   30    2 o   4.1340   1.2640   3.4950   1.6250   4.7720   1.9360 -1.277000 2.528000 
1 1 1   -2   30    3 o   4.3610   1.3030   4.9260   1.9450   3.7960   1.7330 1.131000 2.605000 
1 1 1   -2   30    4 o   5.6730   1.5760   6.1510   2.2610   5.1940   2.1970 0.9568000 3.153000 
1 1 1   -2   30    5 o   6.2960   1.6110   6.8060   2.2710   5.7860   2.2870 1.021000 3.223000 
1 1 1   -2   30    6 o   5.3630   1.5580   4.7790   2.0740   5.9470   2.3260 -1.168000 3.116000 
1 1 1   -2   30    7 o   11.190   1.0210   12.080   1.3070   10.300   1.5700 1.779000 2.043000 
1 1 1   -2   30    8 o   5.8610   1.3840   7.1250   1.9840   4.5960   1.9300 2.529000 2.768000 
1 1 1   -2   30    9 o   6.0090   1.3230   7.9340   1.9100   4.0850   1.8300 3.849000 2.645000 
1 1 1   -2   30   10 o   4.8180   1.2230   3.1390   1.4960   6.4970   1.9350 -3.358000 2.446000 
1 1 1   -2   30   11 o   4.5200   1.2930   4.7080   1.8440   4.3330   1.8140 0.3748000 2.587000 
1 1 1   -2   30   12 o   3.8940   1.2030   4.5140   1.8430   3.2740   1.5460 1.240000 2.406000 
1 1 1   -2   30   13 o   11.600   0.8481   11.680   1.1920   11.510   1.2060 0.1691000 1.696000 
1 1 1   -2   30   14 o   5.8420   1.4970   6.1860   2.2420   5.4990   1.9840 0.6869000 2.994000 
1 1 1   -2   30   15 o   4.2580   1.3320   4.4910   1.9840   4.0250   1.7770 0.4664000 2.663000 
1 1 1   -2   30   16 o   5.9690   1.6540   6.7520   2.5810   5.1860   2.0690 1.566000 3.308000 
1 1 1   -2   30   17 o   3.3630   1.1840   4.0690   1.9550   2.6580   1.3340 1.411000 2.367000 
1 1 1   -2   30   18 o   3.5760   1.1930   3.7380   1.7510   3.4140   1.6220 0.3237000 2.387000 
1 1 1   -2   30   19 o   2.3880   0.8560   2.3130   1.1730   2.4640   1.2470 -0.1507000 1.712000 
1 1 1   -2   32    1 o   3.1690   1.0640   3.3240   1.5520   3.0130   1.4570 0.3107000 2.129000 
1 1 1   -2   32    2 o   7.7300   1.2210   9.0990   1.4670   6.3600   1.9520 2.739000 2.442000 
1 1 1   -2   32    3 o   5.0240   1.2760   6.2530   1.8560   3.7950   1.7520 2.458000 2.552000 
1 1 1   -2   32    4 o   3.9190   1.2220   3.9430   1.7130   3.8940   1.7430 0.4914000E-01 2.443000 
1 1 1   -2   32    5 o   8.1240   1.2100   8.1920   1.6250   8.0560   1.7930 0.1355000 2.420000 
1 1 1   -2   32    6 o   8.4710   1.2290   6.3250   2.0560   10.620   1.3470 -4.292000 2.458000 
1 1 1   -2   32    7 o   4.4040   1.3220   3.6860   1.7630   5.1210   1.9700 -1.435000 2.644000 
1 1 1   -2   32    8 o   8.1590   1.2810   5.3410   2.1840   10.980   1.3410 -5.636000 2.563000 
1 1 1   -2   32    9 o   3.5730   1.1780   3.2180   1.5830   3.9290   1.7450 -0.7117000 2.356000 
1 1 1   -2   32   10 f   3.6020   1.2120   3.7040   1.7620   3.5000   1.6640 0.2044000 2.423000 
1 1 1   -2   32   11 o   6.2700   1.5370   5.2320   2.3000   7.3080   2.0400 -2.076000 3.074000 
1 1 1   -2   32   12 o   3.3380   1.1480   3.6380   1.7530   3.0380   1.4830 0.6004000 2.296000 
1 1 1   -2   32   13 o   3.0770   1.0590   2.7640   1.3730   3.3890   1.6120 -0.6251000 2.118000 
1 1 1   -2   32   14 o   2.1170   0.7668   2.0480   1.0500   2.1870   1.1180 -0.1388000 1.534000 
1 1 1   -2   32   15 o   2.9770   1.0270   3.0120   1.4610   2.9410   1.4420 0.7092000E-01 2.053000 
1 1 1   -2   34    1 o   3.7690   1.2610   3.5990   1.7880   3.9390   1.7790 -0.3402000 2.522000 
1 1 1   -2   34    2 o   3.2710   1.1100   2.5380   1.3070   4.0050   1.7950 -1.467000 2.220000 
1 1 1   -2   34    3 o   3.0870   1.0890   2.7640   1.4160   3.4100   1.6550 -0.6455000 2.178000 
1 1 1   -2   34    4 o   2.8560   1.0220   2.8950   1.4770   2.8180   1.4140 0.7738000E-01 2.045000 
1 1 1   -2   34    5 o   2.5270   0.9093   2.7000   1.3630   2.3530   1.2040 0.3464000 1.819000 
1 1 1   -2   34    6 o   3.9130   1.2860   3.5920   1.7210   4.2340   1.9110 -0.6425000 2.572000 
1 1 1   -2   34    7 o   2.5810   0.9161   2.3220   1.1800   2.8400   1.4020 -0.5180000 1.832000 
1 1 1   -2   34    8 o   2.5800   0.9149   2.4960   1.2560   2.6650   1.3310 -0.1690000 1.830000 
1 1 1   -2   34    9 f   2.2890   0.8235   2.1670   1.1070   2.4110   1.2200 -0.2443000 1.647000 
1 1 1   -1    1    1 f   90.800   0.6159   90.660   0.9298   90.930   0.8079 -0.2724000 1.232000 
1 1 1   -1    1    2 o   43.160   0.2733   43.430   0.3889   42.900   0.3842 0.5298000 0.5467000 
1 1 1   -1    1    3 o   28.950   0.1893   29.290   0.2705   28.610   0.2649 0.6740000 0.3786000 
1 1 1   -1    1    4 f   28.900   0.2718   29.680   0.3921   28.130   0.3766 1.551000 0.5436000 
1 1 1   -1    1    5 o   11.690   0.2229   11.610   0.3036   11.780   0.3264 -0.1697000 0.4458000 
1 1 1   -1    1    6 o   18.010   0.2244   18.040   0.3165   17.970   0.3183 0.6861000E-01 0.4489000 
1 1 1   -1    1    7 f   43.200   0.2813   43.270   0.3982   43.120   0.3975 0.1480000 0.5626000 
1 1 1   -1    1    8 o   64.460   0.4100   64.670   0.5818   64.240   0.5780 0.4247000 0.8201000 
1 1 1   -1    1    9 o   40.220   0.2694   40.140   0.3800   40.300   0.3821 -0.1648000 0.5389000 
1 1 1   -1    1   10 o   66.780   0.6043   67.170   0.8598   66.380   0.8493 0.7885000 1.209000 
1 1 1   -1    1   11 o   14.730   0.2458   14.730   0.3412   14.730   0.3541 -0.4043000E-02 0.4917000 
1 1 1   -1    1   12 o   18.810   0.2319   18.870   0.3263   18.750   0.3297 0.1172000 0.4639000 
1 1 1   -1    1   13 o   31.880   0.2442   32.190   0.3461   31.570   0.3446 0.6226000 0.4884000 
1 1 1   -1    1   14 o   76.500   0.4899   76.940   0.6964   76.070   0.6894 0.8620000 0.9799000 
1 1 1   -1    1   15 o   35.590   0.2746   35.770   0.3898   35.410   0.3869 0.3592000 0.5492000 
1 1 1   -1    1   16 o   75.500   0.4868   75.400   0.6875   75.590   0.6895 -0.1911000 0.9737000 
1 1 1   -1    1   17 o   61.600   0.4090   61.460   0.5771   61.740   0.5797 -0.2833000 0.8180000 
1 1 1   -1    1   18 o   27.250   0.3768   28.140   0.5946   26.350   0.4630 1.797000 0.7536000 
1 1 1   -1    1   19 o   7.4240   1.2730   8.7500   1.6060   6.0990   1.9750 2.651000 2.546000 
1 1 1   -1    1   20 o   15.820   0.4932   15.550   0.6860   16.100   0.7088 -0.5491000 0.9864000 
1 1 1   -1    1   21 o   57.680   0.4010   58.040   0.5687   57.320   0.5654 0.7170000 0.8019000 
1 1 1   -1    1   22 o   22.880   0.3781   23.200   0.5310   22.560   0.5386 0.6385000 0.7563000 
1 1 1   -1    1   23 o   53.580   0.5497   53.410   0.7753   53.750   0.7794 -0.3381000 1.099000 
1 1 1   -1    1   24 o   17.410   0.6587   16.590   0.9638   18.220   0.8982 -1.624000 1.317000 
1 1 1   -1    1   25 o   7.0780   0.9931   8.1230   1.2130   6.0320   1.5730 2.091000 1.986000 
1 1 1   -1    1   26 o   22.540   0.3539   22.490   0.4932   22.600   0.5077 -0.1113000 0.7078000 
1 1 1   -1    1   27 o   12.590   0.5605   13.230   0.7280   11.960   0.8526 1.278000 1.121000 
1 1 1   -1    1   28 o   8.5480   0.8434   7.8260   1.2890   9.2700   1.0880 -1.445000 1.687000 
1 1 1   -1    1   29 o   17.160   0.4496   17.620   0.6154   16.700   0.6557 0.9143000 0.8993000 
1 1 1   -1    1   30 o   6.4650   1.1530   6.0000   1.6590   6.9310   1.6030 -0.9312000 2.307000 
1 1 1   -1    1   31 o   3.7610   1.2220   3.8990   1.7640   3.6240   1.6920 0.2743000 2.444000 
1 1 1   -1    1   32 o   4.0710   1.2110   4.3300   1.7540   3.8120   1.6690 0.5177000 2.421000 
1 1 1   -1    1   33 o   8.0280   1.1650   7.5790   1.7140   8.4770   1.5770 -0.8982000 2.329000 
1 1 1   -1    1   34 o   4.4110   1.3030   4.3350   1.8240   4.4880   1.8610 -0.1527000 2.606000 
1 1 1   -1    1   35 o   6.1690   1.6740   6.1550   2.3720   6.1830   2.3620 -0.2778000E-01 3.347000 
1 1 1   -1    1   36 o   2.7600   0.9674   2.6750   1.3330   2.8460   1.4030 -0.1713000 1.935000 
1 1 1   -1    1   37 o   2.9970   1.0240   3.2530   1.5420   2.7410   1.3490 0.5120000 2.049000 
1 1 1   -1    3    1 o   24.220   0.1704   24.020   0.2397   24.410   0.2423 -0.3851000 0.3408000 
1 1 1   -1    3    2 o   25.380   0.1788   25.200   0.2520   25.560   0.2537 -0.3688000 0.3575000 
1 1 1   -1    3    3 o   37.320   0.3455   36.700   0.4816   37.940   0.4954 -1.236000 0.6909000 
1 1 1   -1    3    4 o   89.300   0.7964   89.910   1.1340   88.680   1.1190 1.236000 1.593000 
1 1 1   -1    3    5 o   62.530   0.3972   63.280   0.5681   61.780   0.5554 1.506000 0.7945000 
1 1 1   -1    3    6 o   93.320   0.5883   92.650   0.8263   93.980   0.8375 -1.338000 1.177000 
1 1 1   -1    3    7 o   49.750   0.3224   49.950   0.4575   49.550   0.4544 0.3935000 0.6448000 
1 1 1   -1    3    8 o  193.200   1.2180  193.000   1.7200  193.300   1.7240 -0.2938000 2.435000 
1 1 1   -1    3    9 o   54.190   0.4967   53.850   0.6983   54.530   0.7066 -0.6752000 0.9934000 
1 1 1   -1    3   10 o   4.9380   0.8972   5.2580   1.2340   4.6180   1.3030 0.6393000 1.794000 
1 1 1   -1    3   11 o   27.150   0.2262   26.990   0.3156   27.310   0.3242 -0.3163000 0.4525000 
1 1 1   -1    3   12 o   24.400   0.2265   24.380   0.3227   24.420   0.3180 -0.4516000E-01 0.4531000 
1 1 1   -1    3   13 o   48.970   0.3276   48.920   0.4617   49.020   0.4650 -0.9699000E-01 0.6553000 
1 1 1   -1    3   14 o   24.910   0.2491   25.040   0.3474   24.770   0.3571 0.2726000 0.4982000 
1 1 1   -1    3   15 o   2.1550   0.7353   2.2350   1.0670   2.0760   1.0120 0.1590000 1.471000 
1 1 1   -1    3   16 o   67.430   0.4410   67.370   0.6231   67.490   0.6243 -0.1260000 0.8821000 
1 1 1   -1    3   17 o   2.1140   0.7414   2.1960   1.0820   2.0330   1.0140 0.1626000 1.483000 
1 1 1   -1    3   18 o   23.490   0.4554   22.880   0.6480   24.110   0.6399 -1.237000 0.9107000 
1 1 1   -1    3   19 o   30.010   0.4454   29.970   0.6182   30.040   0.6414 -0.7177000E-01 0.8908000 
1 1 1   -1    3   20 o   52.660   0.3787   52.650   0.5327   52.680   0.5385 -0.2251000E-01 0.7575000 
1 1 1   -1    3   21 o   23.840   0.3745   24.190   0.5166   23.500   0.5424 0.6922000 0.7491000 
1 1 1   -1    3   22 o   22.840   0.3740   22.820   0.5295   22.850   0.5284 -0.3311000E-01 0.7480000 
1 1 1   -1    3   23 o   22.770   0.5616   23.400   0.7899   22.130   0.7985 1.274000 1.123000 
1 1 1   -1    3   24 o   22.160   0.4333   21.890   0.6255   22.430   0.5998 -0.5425000 0.8666000 
1 1 1   -1    3   25 o   28.330   0.3326   28.250   0.4685   28.410   0.4722 -0.1673000 0.6652000 
1 1 1   -1    3   26 o   3.5240   1.0490   2.6920   1.2780   4.3570   1.6640 -1.664000 2.098000 
1 1 1   -1    3   27 o   6.6980   1.0440   7.3790   1.3110   6.0170   1.6240 1.362000 2.087000 
1 1 1   -1    3   28 o   5.1080   1.1600   4.3760   1.6510   5.8400   1.6310 -1.464000 2.321000 
1 1 1   -1    3   29 o   2.9740   0.9738   2.7210   1.2910   3.2260   1.4580 -0.5050000 1.948000 
1 1 1   -1    3   30 o   7.4960   1.0640   6.7140   1.6010   8.2770   1.4020 -1.562000 2.128000 
1 1 1   -1    3   31 o   7.8850   1.3800   6.5970   2.0850   9.1730   1.8080 -2.577000 2.759000 
1 1 1   -1    3   32 o   10.120   0.8811   10.430   1.1520   9.8170   1.3330 0.6145000 1.762000 
1 1 1   -1    3   33 o   15.350   0.6414   14.330   0.9576   16.370   0.8535 -2.042000 1.283000 
1 1 1   -1    3   34 f   3.4910   1.1430   3.1000   1.4840   3.8830   1.7380 -0.7835000 2.285000 
1 1 1   -1    3   35 o   3.8820   1.3140   3.8330   1.8200   3.9320   1.8960 -0.9966000E-01 2.628000 
1 1 1   -1    3   36 o   3.4830   1.1440   3.7300   1.6900   3.2360   1.5430 0.4942000 2.288000 
1 1 1   -1    3   37 o   2.5680   0.9062   2.2430   1.1370   2.8930   1.4110 -0.6506000 1.812000 
1 1 1   -1    5    1 o  119.700   0.8694  120.000   1.2330  119.300   1.2260 0.6646000 1.739000 
1 1 1   -1    5    2 o  110.900   0.6982  110.700   0.9851  111.200   0.9897 -0.4905000 1.396000 
1 1 1   -1    5    3 o   29.270   0.2498   29.390   0.3543   29.160   0.3523 0.2262000 0.4996000 
1 1 1   -1    5    4 o  156.700   0.9844  156.500   1.3910  156.800   1.3930 -0.2674000 1.969000 
1 1 1   -1    5    5 o  123.000   0.7738  122.700   1.0920  123.200   1.0970 -0.4756000 1.548000 
1 1 1   -1    5    6 o   91.950   0.5812   92.370   0.8256   91.540   0.8182 0.8285000 1.162000 
1 1 1   -1    5    7 o   97.730   0.6176   97.940   0.8750   97.520   0.8719 0.4177000 1.235000 
1 1 1   -1    5    8 o   59.840   0.4479   59.930   0.6342   59.760   0.6326 0.1699000 0.8958000 
1 1 1   -1    5    9 o   38.220   0.3777   38.320   0.5368   38.120   0.5314 0.2075000 0.7553000 
1 1 1   -1    5   10 f   11.370   0.3297   11.340   0.4620   11.390   0.4704 -0.5671000E-01 0.6594000 
1 1 1   -1    5   11 o   11.320   0.3474   12.130   0.4583   10.500   0.5222 1.637000 0.6948000 
1 1 1   -1    5   12 o   42.140   0.2934   42.360   0.4161   41.910   0.4138 0.4534000 0.5868000 
1 1 1   -1    5   13 o   52.830   0.3526   53.010   0.4997   52.660   0.4976 0.3488000 0.7052000 
1 1 1   -1    5   14 o   27.380   0.2592   27.610   0.3671   27.140   0.3661 0.4729000 0.5185000 
1 1 1   -1    5   15 o   31.520   0.2797   31.760   0.3918   31.290   0.3993 0.4636000 0.5595000 
1 1 1   -1    5   16 o   15.240   0.4072   15.360   0.5495   15.120   0.6011 0.2325000 0.8144000 
1 1 1   -1    5   17 o   7.2380   0.9153   7.6230   1.1910   6.8530   1.3900 0.7699000 1.831000 
1 1 1   -1    5   18 o   29.670   0.4434   29.780   0.6118   29.560   0.6420 0.2231000 0.8868000 
1 1 1   -1    5   19 o   53.110   0.4144   53.690   0.6321   52.520   0.5360 1.169000 0.8288000 
1 1 1   -1    5   20 f   26.020   0.3595   25.680   0.4924   26.360   0.5239 -0.6805000 0.7190000 
1 1 1   -1    5   21 o   14.860   0.5389   15.320   0.7307   14.400   0.7922 0.9188000 1.078000 
1 1 1   -1    5   22 o   47.240   0.3588   47.270   0.5046   47.220   0.5102 0.5332000E-01 0.7176000 
1 1 1   -1    5   23 o   29.770   0.4827   30.420   0.6698   29.120   0.6954 1.302000 0.9655000 
1 1 1   -1    5   24 o   14.960   0.5007   15.170   0.6797   14.740   0.7353 0.4334000 1.001000 
1 1 1   -1    5   25 o   9.5300   0.7427   9.1700   1.0260   9.8900   1.0740 -0.7204000 1.485000 
1 1 1   -1    5   26 o   12.950   0.5520   12.980   0.7622   12.920   0.7986 0.6662000E-01 1.104000 
1 1 1   -1    5   27 o   14.170   0.5206   14.740   0.6955   13.600   0.7749 1.145000 1.041000 
1 1 1   -1    5   28 o   16.270   0.4756   16.100   0.6587   16.430   0.6860 -0.3328000 0.9511000 
1 1 1   -1    5   29 o   5.6690   1.2140   5.8150   1.6570   5.5230   1.7750 0.2922000 2.428000 
1 1 1   -1    5   30 o   12.270   0.6604   11.770   0.9391   12.780   0.9287 -1.011000 1.321000 
1 1 1   -1    5   31 o   10.870   1.0610   10.300   1.5660   11.440   1.4320 -1.143000 2.122000 
1 1 1   -1    5   32 o   3.3450   1.0830   3.8390   1.6620   2.8510   1.3880 0.9881000 2.166000 
1 1 1   -1    5   33 o   10.770   0.9175   11.810   1.1140   9.7370   1.4580 2.069000 1.835000 
1 1 1   -1    5   34 o   4.0780   1.2460   4.2420   1.7830   3.9130   1.7400 0.3287000 2.491000 
1 1 1   -1    5   35 o   3.9860   1.3350   4.3200   1.9830   3.6520   1.7870 0.6686000 2.670000 
1 1 1   -1    5   36 o   2.4690   0.8782   2.1570   1.0990   2.7820   1.3700 -0.6248000 1.756000 
1 1 1   -1    5   37 o   2.8030   0.9722   2.9680   1.4370   2.6390   1.3100 0.3296000 1.944000 
1 1 1   -1    7    1 o  128.600   0.8088  128.500   1.1430  128.600   1.1440 -0.1098000 1.618000 
1 1 1   -1    7    2 o  120.400   0.7583  120.200   1.0700  120.700   1.0740 -0.4563000 1.517000 
1 1 1   -1    7    3 o   49.240   0.3246   49.340   0.4593   49.130   0.4587 0.2175000 0.6492000 
1 1 1   -1    7    4 o   29.950   0.2361   30.150   0.3349   29.760   0.3328 0.3900000 0.4721000 
1 1 1   -1    7    5 o   44.040   0.2985   44.210   0.4231   43.870   0.4211 0.3446000 0.5969000 
1 1 1   -1    7    6 o   35.520   0.2988   35.860   0.4234   35.170   0.4218 0.6951000 0.5976000 
1 1 1   -1    7    7 o   48.700   0.4602   48.700   0.6520   48.700   0.6497 -0.3605000E-02 0.9205000 
1 1 1   -1    7    8 o   29.030   0.2755   28.850   0.3870   29.210   0.3923 -0.3566000 0.5511000 
1 1 1   -1    7    9 o   14.470   0.2961   14.630   0.4091   14.320   0.4280 0.3094000 0.5921000 
1 1 1   -1    7   10 o   22.470   0.2474   22.130   0.3493   22.810   0.3504 -0.6711000 0.4948000 
1 1 1   -1    7   11 o   15.850   0.3296   16.290   0.4892   15.420   0.4420 0.8779000 0.6593000 
1 1 1   -1    7   12 f   16.360   0.3053   16.300   0.4239   16.430   0.4396 -0.1281000 0.6106000 
1 1 1   -1    7   13 o   35.910   0.2817   36.290   0.3994   35.530   0.3974 0.7669000 0.5634000 
1 1 1   -1    7   14 o   59.900   0.3992   60.290   0.5673   59.500   0.5619 0.7884000 0.7985000 
1 1 1   -1    7   15 o   27.650   0.3292   28.180   0.4980   27.120   0.4307 1.053000 0.6584000 
1 1 1   -1    7   16 o   24.220   0.3146   23.910   0.4413   24.530   0.4485 -0.6224000 0.6292000 
1 1 1   -1    7   17 o   20.680   0.5115   20.010   0.7128   21.360   0.7339 -1.350000 1.023000 
1 1 1   -1    7   18 o   21.420   0.4319   21.510   0.5803   21.320   0.6399 0.1864000 0.8638000 
1 1 1   -1    7   19 o   16.910   0.4936   17.210   0.6587   16.610   0.7354 0.5962000 0.9872000 
1 1 1   -1    7   20 f   24.750   0.3633   24.560   0.4995   24.940   0.5276 -0.3769000 0.7265000 
1 1 1   -1    7   21 o   4.4930   1.1910   4.9300   1.6890   4.0560   1.6790 0.8737000 2.381000 
1 1 1   -1    7   22 o   19.440   0.5126   19.880   0.6407   19.000   0.8003 0.8853000 1.025000 
1 1 1   -1    7   23 o   22.790   0.4261   22.310   0.6063   23.280   0.5987 -0.9630000 0.8521000 
1 1 1   -1    7   24 o   12.090   0.6061   11.400   0.8686   12.790   0.8457 -1.393000 1.212000 
1 1 1   -1    7   25 o   18.060   0.4195   17.290   0.5865   18.840   0.6000 -1.551000 0.8390000 
1 1 1   -1    7   26 o   4.4050   1.1620   4.1930   1.5880   4.6160   1.6960 -0.4236000 2.324000 
1 1 1   -1    7   27 o   6.6830   1.0700   6.3510   1.5300   7.0160   1.4970 -0.6644000 2.140000 
1 1 1   -1    7   28 o   12.580   0.5997   13.370   0.7735   11.790   0.9165 1.580000 1.199000 
1 1 1   -1    7   29 o   4.3530   1.1630   3.3930   1.5080   5.3130   1.7710 -1.920000 2.326000 
1 1 1   -1    7   30 o   4.2780   1.2730   4.0700   1.7540   4.4850   1.8440 -0.4148000 2.545000 
1 1 1   -1    7   31 o   3.6860   1.1600   3.0720   1.4640   4.3010   1.8000 -1.229000 2.320000 
1 1 1   -1    7   32 o   7.4200   1.2710   7.6130   1.7080   7.2260   1.8840 0.3867000 2.543000 
1 1 1   -1    7   33 o   4.3110   1.2790   4.6020   1.8610   4.0200   1.7540 0.5821000 2.557000 
1 1 1   -1    7   34 o   3.6870   1.2230   3.6460   1.7000   3.7280   1.7590 -0.8252000E-01 2.447000 
1 1 1   -1    7   35 o   2.6680   0.9515   2.8310   1.4170   2.5050   1.2700 0.3261000 1.903000 
1 1 1   -1    7   36 o   3.2910   1.0960   3.4180   1.5950   3.1640   1.5050 0.2542000 2.193000 
1 1 1   -1    9    1 o   53.530   0.4059   53.160   0.5709   53.910   0.5770 -0.7551000 0.8117000 
1 1 1   -1    9    2 o   88.960   0.6539   88.650   0.9215   89.260   0.9279 -0.6129000 1.308000 
1 1 1   -1    9    3 o   69.390   0.6312   68.970   0.8871   69.810   0.8981 -0.8444000 1.262000 
1 1 1   -1    9    4 o   39.840   0.3969   39.010   0.5537   40.670   0.5688 -1.658000 0.7938000 
1 1 1   -1    9    5 o   5.1830   0.8181   7.0490   0.9643   3.3170   1.3220 3.732000 1.636000 
1 1 1   -1    9    6 o   30.960   0.2536   31.230   0.3587   30.700   0.3587 0.5373000 0.5073000 
1 1 1   -1    9    7 o   80.910   0.5175   81.140   0.7337   80.680   0.7300 0.4612000 1.035000 
1 1 1   -1    9    8 f   29.700   0.2731   30.160   0.4094   29.240   0.3615 0.9120000 0.5461000 
1 1 1   -1    9    9 o   78.030   0.5009   78.060   0.7087   77.990   0.7080 0.6638000E-01 1.002000 
1 1 1   -1    9   10 o   18.760   0.2972   18.630   0.4179   18.880   0.4227 -0.2543000 0.5944000 
1 1 1   -1    9   11 o   36.920   0.2847   37.070   0.4026   36.780   0.4025 0.2965000 0.5693000 
1 1 1   -1    9   12 o   54.950   0.3720   55.150   0.5276   54.750   0.5244 0.3988000 0.7439000 
1 1 1   -1    9   13 o   9.8690   0.6081   10.340   0.8235   9.3980   0.8951 0.9408000 1.216000 
1 1 1   -1    9   14 o   60.770   0.4094   61.250   0.5820   60.290   0.5759 0.9621000 0.8188000 
1 1 1   -1    9   15 o   79.140   0.5146   78.840   0.7245   79.430   0.7309 -0.5938000 1.029000 
1 1 1   -1    9   16 o   82.700   0.7604   82.350   1.0700   83.050   1.0800 -0.6999000 1.521000 
1 1 1   -1    9   17 o   8.1790   1.0880   9.0020   1.3260   7.3560   1.7260 1.646000 2.177000 
1 1 1   -1    9   18 o   16.060   0.5235   16.030   0.7200   16.090   0.7602 -0.5086000E-01 1.047000 
1 1 1   -1    9   19 o   25.970   0.3710   25.990   0.5131   25.950   0.5361 0.4513000E-01 0.7420000 
1 1 1   -1    9   20 o   7.4660   1.0920   8.6040   1.2900   6.3280   1.7610 2.276000 2.183000 
1 1 1   -1    9   21 o   17.520   0.5522   17.150   0.7154   17.880   0.8413 -0.7319000 1.104000 
1 1 1   -1    9   22 o   21.260   0.5774   21.360   0.7693   21.150   0.8613 0.2093000 1.155000 
1 1 1   -1    9   23 o   14.650   0.5160   14.720   0.6884   14.580   0.7689 0.1375000 1.032000 
1 1 1   -1    9   24 o   17.340   0.4327   17.260   0.5999   17.420   0.6237 -0.1547000 0.8653000 
1 1 1   -1    9   25 o   4.6570   1.1650   4.3880   1.5820   4.9260   1.7100 -0.5380000 2.330000 
1 1 1   -1    9   26 o   11.950   0.6060   11.580   0.8577   12.320   0.8564 -0.7431000 1.212000 
1 1 1   -1    9   27 o   4.1970   1.1340   3.4250   1.4940   4.9700   1.7060 -1.545000 2.267000 
1 1 1   -1    9   28 o   4.8780   1.2040   5.3550   1.6770   4.4000   1.7280 0.9550000 2.408000 
1 1 1   -1    9   29 o   15.150   0.5571   15.100   0.7640   15.200   0.8109 -0.9503000E-01 1.114000 
1 1 1   -1    9   30 o   4.1880   1.2940   4.9360   1.9970   3.4400   1.6450 1.496000 2.587000 
1 1 1   -1    9   31 o   4.4800   1.2470   3.8370   1.6390   5.1230   1.8800 -1.286000 2.494000 
1 1 1   -1    9   32 o   5.4960   1.3640   5.8640   1.9300   5.1270   1.9280 0.7370000 2.728000 
1 1 1   -1    9   33 o   4.7190   1.3370   4.2230   1.7940   5.2150   1.9830 -0.9921000 2.674000 
1 1 1   -1    9   34 o   4.3860   1.4270   4.4710   2.0290   4.3020   2.0060 0.1685000 2.853000 
1 1 1   -1    9   35 f   2.3230   0.8333   2.1630   1.1030   2.4840   1.2490 -0.3209000 1.667000 
1 1 1   -1    9   36 o   2.9420   1.0100   3.1200   1.4920   2.7640   1.3620 0.3554000 2.020000 
1 1 1   -1   11    1 o   76.720   0.4917   76.770   0.6961   76.660   0.6945 0.1040000 0.9833000 
1 1 1   -1   11    2 f   33.500   0.2635   33.620   0.3723   33.390   0.3730 0.2323000 0.5270000 
1 1 1   -1   11    3 o   45.780   0.3413   45.850   0.4474   45.720   0.5156 0.1273000 0.6827000 
1 1 1   -1   11    4 o   34.560   0.2719   34.510   0.3820   34.620   0.3870 -0.1021000 0.5438000 
1 1 1   -1   11    5 o   23.750   0.2671   24.110   0.3718   23.380   0.3837 0.7389000 0.5343000 
1 1 1   -1   11    6 o   24.790   0.2697   24.740   0.3797   24.850   0.3831 -0.1139000 0.5394000 
1 1 1   -1   11    7 f   50.550   0.3454   50.820   0.4896   50.290   0.4873 0.5247000 0.6908000 
1 1 1   -1   11    8 o   44.830   0.3202   45.120   0.4544   44.540   0.4514 0.5736000 0.6405000 
1 1 1   -1   11    9 o   36.670   0.2924   36.420   0.4109   36.930   0.4161 -0.5166000 0.5848000 
1 1 1   -1   11   10 o   14.280   0.4167   14.440   0.5724   14.120   0.6057 0.3218000 0.8334000 
1 1 1   -1   11   11 o   9.7140   0.6249   9.7780   0.8668   9.6500   0.9004 0.1280000 1.250000 
1 1 1   -1   11   12 o   30.360   0.3055   30.250   0.4272   30.480   0.4367 -0.2236000 0.6109000 
1 1 1   -1   11   13 o   53.890   0.3774   53.880   0.5318   53.910   0.5358 -0.3461000E-01 0.7549000 
1 1 1   -1   11   14 o   37.650   0.3857   37.330   0.5443   37.970   0.5467 -0.6359000 0.7715000 
1 1 1   -1   11   15 o   23.260   0.5349   22.570   0.7598   23.940   0.7530 -1.372000 1.070000 
1 1 1   -1   11   16 o   32.390   0.3805   32.520   0.5241   32.250   0.5516 0.2731000 0.7609000 
1 1 1   -1   11   17 o   38.270   0.3436   38.490   0.4815   38.040   0.4903 0.4503000 0.6872000 
1 1 1   -1   11   18 o   20.170   0.4445   19.980   0.6193   20.360   0.6377 -0.3834000 0.8890000 
1 1 1   -1   11   19 o   29.890   0.3524   29.780   0.4889   30.010   0.5076 -0.2276000 0.7048000 
1 1 1   -1   11   20 o   8.0430   1.1800   7.5190   1.6030   8.5660   1.7320 -1.047000 2.359000 
1 1 1   -1   11   21 f   39.200   0.4935   39.490   0.6960   38.900   0.6999 0.5953000 0.9871000 
1 1 1   -1   11   22 o   12.400   0.5938   12.760   0.7649   12.040   0.9086 0.7140000 1.188000 
1 1 1   -1   11   23 o   17.060   0.4416   17.260   0.5969   16.850   0.6511 0.4165000 0.8833000 
1 1 1   -1   11   24 o   21.300   0.3799   21.620   0.5111   20.990   0.5621 0.6343000 0.7598000 
1 1 1   -1   11   25 o   8.4240   0.8693   8.2240   1.1650   8.6250   1.2900 -0.4009000 1.739000 
1 1 1   -1   11   26 o   3.1700   1.0150   2.8220   1.3190   3.5170   1.5440 -0.6951000 2.031000 
1 1 1   -1   11   27 f   4.6840   1.1980   4.5640   1.6470   4.8050   1.7400 -0.2412000 2.396000 
1 1 1   -1   11   28 o   10.590   0.7344   10.170   1.0270   11.020   1.0500 -0.8444000 1.469000 
1 1 1   -1   11   29 o   7.5980   1.4190   7.5700   1.9710   7.6270   2.0420 -0.5741000E-01 2.839000 
1 1 1   -1   11   30 o   5.3920   1.3710   5.2110   1.8800   5.5730   1.9960 -0.3624000 2.742000 
1 1 1   -1   11   31 o   4.5830   1.2470   5.6470   1.9000   3.5200   1.6160 2.127000 2.494000 
1 1 1   -1   11   32 o   5.0510   1.3000   3.8790   1.7150   6.2230   1.9560 -2.344000 2.601000 
1 1 1   -1   11   33 o   4.5010   1.3660   4.4300   1.8840   4.5720   1.9790 -0.1428000 2.732000 
1 1 1   -1   11   34 o   3.2500   1.1070   3.4340   1.6250   3.0660   1.5040 0.3676000 2.214000 
1 1 1   -1   11   35 o   2.7410   0.9544   2.3630   1.1930   3.1200   1.4900 -0.7565000 1.909000 
1 1 1   -1   13    1 o   44.380   0.3150   44.700   0.4479   44.060   0.4430 0.6408000 0.6299000 
1 1 1   -1   13    2 o   10.700   0.5044   10.680   0.7133   10.710   0.7133 -0.3187000E-01 1.009000 
1 1 1   -1   13    3 o   53.440   0.3617   53.640   0.5131   53.230   0.5099 0.4102000 0.7234000 
1 1 1   -1   13    4 o   86.320   0.5533   86.080   0.7799   86.550   0.7849 -0.4695000 1.107000 
1 1 1   -1   13    5 o   29.860   0.3113   29.140   0.4004   30.580   0.4768 -1.443000 0.6226000 
1 1 1   -1   13    6 f   19.340   0.3391   19.340   0.4778   19.350   0.4812 -0.1339000E-01 0.6781000 
1 1 1   -1   13    7 o   16.890   0.3892   17.280   0.5378   16.490   0.5628 0.7933000 0.7784000 
1 1 1   -1   13    8 f   63.370   0.4232   63.510   0.5990   63.230   0.5980 0.2840000 0.8464000 
1 1 1   -1   13    9 o   23.780   0.3353   24.310   0.4642   23.240   0.4839 1.071000 0.6706000 
1 1 1   -1   13   10 o   89.510   0.5769   89.370   0.8142   89.660   0.8176 -0.2932000 1.154000 
1 1 1   -1   13   11 o   88.410   0.5708   88.260   0.8059   88.560   0.8087 -0.3034000 1.142000 
1 1 1   -1   13   12 o   14.970   0.6370   15.230   0.9011   14.700   0.9005 0.5304000 1.274000 
1 1 1   -1   13   13 o   66.810   0.6356   67.090   0.9020   66.530   0.8957 0.5585000 1.271000 
1 1 1   -1   13   14 o   50.160   0.4274   50.000   0.6002   50.310   0.6086 -0.3067000 0.8548000 
1 1 1   -1   13   15 o   14.030   0.6141   14.370   0.8228   13.680   0.9119 0.6952000 1.228000 
1 1 1   -1   13   16 o   12.290   0.7103   12.580   0.9248   11.990   1.0780 0.5908000 1.421000 
1 1 1   -1   13   17 o   18.350   0.4856   18.710   0.6461   17.990   0.7252 0.7183000 0.9713000 
1 1 1   -1   13   18 o   18.730   0.4667   18.670   0.6405   18.800   0.6790 -0.1300000 0.9334000 
1 1 1   -1   13   19 o   19.680   0.5196   19.830   0.6869   19.540   0.7799 0.2897000 1.039000 
1 1 1   -1   13   20 o   23.310   0.4328   22.990   0.5975   23.640   0.6264 -0.6410000 0.8657000 
1 1 1   -1   13   21 o   15.910   0.4869   16.370   0.6283   15.450   0.7441 0.9181000 0.9739000 
1 1 1   -1   13   22 o   19.530   0.4141   19.170   0.5741   19.900   0.5970 -0.7233000 0.8282000 
1 1 1   -1   13   23 o   13.590   0.5571   13.810   0.7310   13.370   0.8409 0.4442000 1.114000 
1 1 1   -1   13   24 o   15.180   0.5076   15.160   0.6785   15.210   0.7552 -0.4759000E-01 1.015000 
1 1 1   -1   13   25 f   8.6980   0.8747   8.7970   1.1480   8.5990   1.3200 0.1975000 1.749000 
1 1 1   -1   13   26 f   6.2960   1.1540   6.8750   1.4960   5.7170   1.7580 1.157000 2.308000 
1 1 1   -1   13   27 o   14.160   0.5819   14.510   0.7596   13.820   0.8817 0.6889000 1.164000 
1 1 1   -1   13   28 o   7.2420   1.3670   7.6100   1.8580   6.8730   2.0060 0.7373000 2.734000 
1 1 1   -1   13   29 o   6.2500   1.3570   6.2090   1.8260   6.2900   2.0070 -0.8060000E-01 2.713000 
1 1 1   -1   13   30 o   3.4230   1.1050   3.8590   1.6740   2.9870   1.4440 0.8715000 2.210000 
1 1 1   -1   13   31 o   9.2130   1.0650   8.6940   1.5690   9.7310   1.4410 -1.037000 2.131000 
1 1 1   -1   13   32 o   5.3770   1.4760   5.5720   2.0680   5.1820   2.1060 0.3896000 2.951000 
1 1 1   -1   13   33 o   3.1070   1.0770   3.2870   1.5930   2.9270   1.4480 0.3593000 2.153000 
1 1 1   -1   13   34 o   2.5820   0.9089   2.3330   1.1780   2.8320   1.3840 -0.4993000 1.818000 
1 1 1   -1   13   35 o   1.9540   1.0150   1.9540   1.0150  ?   ?       ?      ? 
1 1 1   -1   15    1 o   47.530   0.3403   47.860   0.4830   47.190   0.4794 0.6711000 0.6805000 
1 1 1   -1   15    2 o   75.750   0.4917   76.000   0.6972   75.510   0.6935 0.4912000 0.9834000 
1 1 1   -1   15    3 o   40.320   0.3170   40.520   0.4490   40.120   0.4476 0.3957000 0.6339000 
1 1 1   -1   15    4 f   27.140   0.3483   27.190   0.4426   27.080   0.5380 0.1045000 0.6967000 
1 1 1   -1   15    5 o   83.330   0.5387   83.150   0.7595   83.500   0.7642 -0.3509000 1.077000 
1 1 1   -1   15    6 o   40.120   0.3489   41.100   0.5265   39.140   0.4579 1.963000 0.6977000 
1 1 1   -1   15    7 o   46.930   0.4046   48.770   0.5766   45.090   0.5679 3.689000 0.8093000 
1 1 1   -1   15    8 o   55.930   0.4207   55.790   0.6304   56.070   0.5571 -0.2872000 0.8413000 
1 1 1   -1   15    9 o   32.770   0.4011   33.010   0.5613   32.530   0.5732 0.4822000 0.8022000 
1 1 1   -1   15   10 o   18.900   0.5742   18.630   0.8222   19.170   0.8018 -0.5410000 1.148000 
1 1 1   -1   15   11 o   70.510   0.6680   70.460   0.9435   70.570   0.9459 -0.1130000 1.336000 
1 1 1   -1   15   12 o   20.170   0.5048   20.440   0.6848   19.910   0.7419 0.5302000 1.010000 
1 1 1   -1   15   13 o   14.520   0.6191   14.340   0.8488   14.700   0.9016 -0.3636000 1.238000 
1 1 1   -1   15   14 o   44.090   0.3660   44.000   0.5152   44.180   0.5199 -0.1843000 0.7319000 
1 1 1   -1   15   15 o   18.730   0.5037   19.350   0.6536   18.110   0.7666 1.242000 1.007000 
1 1 1   -1   15   16 o   16.620   0.5310   16.200   0.7294   17.040   0.7718 -0.8450000 1.062000 
1 1 1   -1   15   17 o   25.670   0.4573   26.240   0.5971   25.100   0.6928 1.142000 0.9147000 
1 1 1   -1   15   18 o   5.0420   1.3160   6.5870   2.0270   3.4970   1.6800 3.090000 2.633000 
1 1 1   -1   15   19 o   31.830   0.3937   31.710   0.5539   31.950   0.5596 -0.2379000 0.7874000 
1 1 1   -1   15   20 o   20.960   0.4130   21.230   0.5655   20.700   0.6022 0.5362000 0.8261000 
1 1 1   -1   15   21 o   3.9450   1.1350   3.4560   1.4990   4.4350   1.7040 -0.9797000 2.269000 
1 1 1   -1   15   22 f   3.5670   1.0930   3.3520   1.4730   3.7820   1.6140 -0.4306000 2.185000 
1 1 1   -1   15   23 o   24.270   0.3662   24.020   0.4968   24.520   0.5381 -0.4987000 0.7324000 
1 1 1   -1   15   24 o   4.3900   1.1940   3.9770   1.5950   4.8020   1.7770 -0.8248000 2.387000 
1 1 1   -1   15   25 o   4.2410   1.1910   4.1120   1.6400   4.3710   1.7280 -0.2590000 2.382000 
1 1 1   -1   15   26 o   3.9200   1.1720   4.0680   1.6540   3.7720   1.6610 0.2964000 2.344000 
1 1 1   -1   15   27 o   4.0670   1.2610   4.0310   1.7730   4.1030   1.7940 -0.7211000E-01 2.522000 
1 1 1   -1   15   28 o   2.7780   0.9632   2.7110   1.3250   2.8440   1.3990 -0.1332000 1.926000 
1 1 1   -1   15   29 o   8.7510   1.1090   8.1010   1.6080   9.4010   1.5270 -1.300000 2.218000 
1 1 1   -1   15   30 o   3.9450   1.2080   4.4600   1.8030   3.4290   1.6090 1.031000 2.416000 
1 1 1   -1   15   31 o   8.1140   1.4090   8.8860   1.7650   7.3430   2.1970 1.543000 2.818000 
1 1 1   -1   15   32 o   3.1610   1.0980   2.6860   1.3600   3.6360   1.7250 -0.9506000 2.197000 
1 1 1   -1   15   33 o   4.6890   1.3290   4.6320   1.8640   4.7460   1.8940 -0.1146000 2.657000 
1 1 1   -1   15   34 o   2.2220   0.8056   2.2200   1.1340   2.2250   1.1450 -0.4727000E-02 1.611000 
1 1 1   -1   17    1 o   34.700   0.3258   34.830   0.4630   34.560   0.4586 0.2741000 0.6517000 
1 1 1   -1   17    2 f   29.040   0.3371   29.670   0.4747   28.410   0.4788 1.255000 0.6742000 
1 1 1   -1   17    3 o   44.950   0.3488   44.920   0.4947   44.970   0.4919 -0.5641000E-01 0.6977000 
1 1 1   -1   17    4 o   34.360   0.3919   34.190   0.5482   34.530   0.5601 -0.3483000 0.7837000 
1 1 1   -1   17    5 o   46.720   0.4185   47.190   0.5889   46.240   0.5949 0.9474000 0.8371000 
1 1 1   -1   17    6 o   66.960   0.6403   66.890   0.9037   67.020   0.9073 -0.1288000 1.281000 
1 1 1   -1   17    7 o   58.220   0.5790   58.350   0.8174   58.090   0.8202 0.2509000 1.158000 
1 1 1   -1   17    8 o   31.160   0.4052   30.710   0.5646   31.610   0.5812 -0.8951000 0.8103000 
1 1 1   -1   17    9 o   48.860   0.4292   48.530   0.5980   49.200   0.6158 -0.6733000 0.8583000 
1 1 1   -1   17   10 f   27.740   0.3910   27.770   0.5380   27.710   0.5675 0.6359000E-01 0.7820000 
1 1 1   -1   17   11 o   18.280   0.5287   18.120   0.7253   18.430   0.7694 -0.3133000 1.057000 
1 1 1   -1   17   12 o   35.490   0.3662   35.450   0.5083   35.520   0.5272 -0.7369000E-01 0.7323000 
1 1 1   -1   17   13 o   29.020   0.3758   28.860   0.5182   29.190   0.5444 -0.3285000 0.7516000 
1 1 1   -1   17   14 o   21.570   0.4435   20.820   0.6214   22.320   0.6328 -1.498000 0.8869000 
1 1 1   -1   17   15 o   45.230   0.4248   44.960   0.5850   45.490   0.6160 -0.5290000 0.8495000 
1 1 1   -1   17   16 o   5.5060   1.4700   6.0840   2.0660   4.9290   2.0910 1.156000 2.939000 
1 1 1   -1   17   17 o   31.020   0.4063   30.860   0.5707   31.170   0.5785 -0.3109000 0.8126000 
1 1 1   -1   17   18 o   13.280   0.5980   13.620   0.7903   12.940   0.8976 0.6761000 1.196000 
1 1 1   -1   17   19 f   7.2450   1.0580   7.2250   1.4520   7.2650   1.5390 -0.3933000E-01 2.116000 
1 1 1   -1   17   20 o   32.530   0.3425   32.390   0.4827   32.670   0.4861 -0.2779000 0.6851000 
1 1 1   -1   17   21 o   20.410   0.4134   20.290   0.5655   20.530   0.6031 -0.2431000 0.8267000 
1 1 1   -1   17   22 o   9.6730   0.8481   10.720   0.9618   8.6310   1.3970 2.085000 1.696000 
1 1 1   -1   17   23 o   16.620   0.4970   16.280   0.6801   16.950   0.7248 -0.6660000 0.9940000 
1 1 1   -1   17   24 o   11.950   0.6739   11.450   0.9578   12.450   0.9483 -0.9993000 1.348000 
1 1 1   -1   17   25 f   7.0240   1.3730   6.8810   1.9200   7.1670   1.9630 -0.2862000 2.746000 
1 1 1   -1   17   26 o   3.4780   1.1660   2.9050   1.4360   4.0520   1.8390 -1.147000 2.333000 
1 1 1   -1   17   27 o   5.1280   1.3720   4.9730   1.8870   5.2830   1.9930 -0.3106000 2.745000 
1 1 1   -1   17   28 o   7.8520   1.2190   9.3440   1.4430   6.3600   1.9660 2.984000 2.438000 
1 1 1   -1   17   29 o   4.1220   1.2450   4.6040   1.8500   3.6400   1.6680 0.9634000 2.491000 
1 1 1   -1   17   30 o   5.9740   1.4780   6.6440   2.0720   5.3040   2.1080 1.340000 2.956000 
1 1 1   -1   17   31 o   4.0840   1.2970   4.1190   1.8270   4.0480   1.8430 0.7132000E-01 2.595000 
1 1 1   -1   17   32 f   3.2590   1.0840   3.2830   1.5360   3.2340   1.5310 0.4894000E-01 2.168000 
1 1 1   -1   17   33 o   1.7430   0.6416   1.7080   0.8880   1.7770   0.9263 -0.6883000E-01 1.283000 
1 1 1   -1   19    1 o   73.800   0.4909   73.630   0.6929   73.960   0.6955 -0.3295000 0.9817000 
1 1 1   -1   19    2 o   45.660   0.3636   45.890   0.5152   45.440   0.5132 0.4469000 0.7272000 
1 1 1   -1   19    3 o   12.890   0.7022   13.290   0.9546   12.490   1.0300 0.8083000 1.404000 
1 1 1   -1   19    4 o   30.750   0.3754   30.450   0.5204   31.040   0.5412 -0.5889000 0.7508000 
1 1 1   -1   19    5 o   11.380   0.8236   11.510   1.0990   11.250   1.2270 0.2540000 1.647000 
1 1 1   -1   19    6 o   4.9010   1.2850   5.7920   1.8840   4.0100   1.7490 1.782000 2.571000 
1 1 1   -1   19    7 o   14.100   0.6665   14.560   0.8774   13.640   1.0040 0.9130000 1.333000 
1 1 1   -1   19    8 o   15.210   0.6116   14.920   0.8340   15.500   0.8947 -0.5800000 1.223000 
1 1 1   -1   19    9 o   20.280   0.4743   20.170   0.6468   20.390   0.6939 -0.2151000 0.9486000 
1 1 1   -1   19   10 o   27.900   0.3848   27.340   0.5292   28.460   0.5587 -1.115000 0.7696000 
1 1 1   -1   19   11 o   36.790   0.3797   36.680   0.5521   36.910   0.5214 -0.2398000 0.7594000 
1 1 1   -1   19   12 o   22.170   0.5068   22.230   0.6779   22.110   0.7537 0.1216000 1.014000 
1 1 1   -1   19   13 o   23.860   0.5740   23.410   0.7986   24.320   0.8247 -0.9144000 1.148000 
1 1 1   -1   19   14 o   10.320   0.9724   11.260   1.1870   9.3930   1.5410 1.862000 1.945000 
1 1 1   -1   19   15 o   22.060   0.4482   21.840   0.5820   22.290   0.6818 -0.4456000 0.8964000 
1 1 1   -1   19   16 o   11.820   0.6774   12.170   0.8620   11.470   1.0450 0.6962000 1.355000 
1 1 1   -1   19   17 o   19.060   0.4392   19.070   0.5986   19.050   0.6429 0.2718000E-01 0.8785000 
1 1 1   -1   19   18 o   13.210   0.6050   13.180   0.8285   13.230   0.8819 -0.5039000E-01 1.210000 
1 1 1   -1   19   19 o   24.660   0.3793   24.720   0.5221   24.600   0.5504 0.1218000 0.7587000 
1 1 1   -1   19   20 o   13.640   0.6034   13.620   0.8351   13.660   0.8713 -0.3312000E-01 1.207000 
1 1 1   -1   19   21 o   12.660   0.6494   13.220   0.8497   12.100   0.9821 1.122000 1.299000 
1 1 1   -1   19   22 o   11.790   0.6975   12.540   0.8888   11.040   1.0750 1.499000 1.395000 
1 1 1   -1   19   23 o   11.550   0.7662   12.460   0.9420   10.630   1.2090 1.833000 1.532000 
1 1 1   -1   19   24 f   4.8300   1.3930   4.2080   1.8510   5.4510   2.0820 -1.243000 2.786000 
1 1 1   -1   19   25 o   4.5310   1.2910   5.0480   1.8540   4.0150   1.7960 1.032000 2.581000 
1 1 1   -1   19   26 o   12.670   0.7515   12.660   1.0270   12.680   1.0980 -0.1578000E-01 1.503000 
1 1 1   -1   19   27 f   4.0910   1.2310   4.6500   1.8400   3.5330   1.6360 1.117000 2.462000 
1 1 1   -1   19   28 o   4.8310   1.3140   5.5530   1.9220   4.1090   1.7930 1.444000 2.628000 
1 1 1   -1   19   29 o   3.7590   1.2310   3.7320   1.7150   3.7870   1.7680 -0.5561000E-01 2.463000 
1 1 1   -1   19   30 o   4.3350   1.3350   3.8860   1.7720   4.7840   1.9970 -0.8977000 2.669000 
1 1 1   -1   19   31 f   2.7070   0.9404   2.8720   1.3900   2.5420   1.2670 0.3297000 1.881000 
1 1 1   -1   21    1 o   25.540   0.3874   25.270   0.5501   25.810   0.5455 -0.5369000 0.7747000 
1 1 1   -1   21    2 o   8.4990   1.0380   8.1860   1.5290   8.8120   1.4060 -0.6260000 2.077000 
1 1 1   -1   21    3 o   42.390   0.3548   42.580   0.5027   42.210   0.5007 0.3751000 0.7095000 
1 1 1   -1   21    4 o   25.350   0.4328   26.010   0.5371   24.700   0.6790 1.308000 0.8657000 
1 1 1   -1   21    5 o   14.750   0.6063   13.810   0.8595   15.690   0.8553 -1.881000 1.213000 
1 1 1   -1   21    6 o   19.200   0.4833   18.590   0.6693   19.820   0.6974 -1.226000 0.9666000 
1 1 1   -1   21    7 o   26.150   0.4433   25.880   0.5859   26.410   0.6653 -0.5283000 0.8865000 
1 1 1   -1   21    8 o   17.260   0.6223   18.660   0.7291   15.860   1.0090 2.802000 1.245000 
1 1 1   -1   21    9 o   6.8770   1.4400   5.3420   1.9930   8.4130   2.0790 -3.070000 2.880000 
1 1 1   -1   21   10 o   5.2580   1.3380   6.6470   1.9790   3.8700   1.8020 2.778000 2.676000 
1 1 1   -1   21   11 o   7.5330   1.2290   6.5650   1.8010   8.5020   1.6710 -1.937000 2.457000 
1 1 1   -1   21   12 o   5.8990   1.2600   5.8490   1.7020   5.9500   1.8590 -0.1005000 2.521000 
1 1 1   -1   21   13 o   21.890   0.4218   22.060   0.5722   21.730   0.6199 0.3293000 0.8437000 
1 1 1   -1   21   14 o   19.650   0.4527   20.010   0.6204   19.290   0.6593 0.7246000 0.9053000 
1 1 1   -1   21   15 o   28.150   0.3682   28.620   0.5071   27.690   0.5339 0.9255000 0.7363000 
1 1 1   -1   21   16 o   14.180   0.5811   13.700   0.7979   14.650   0.8451 -0.9570000 1.162000 
1 1 1   -1   21   17 o   8.9030   0.9214   8.6730   1.2620   9.1340   1.3430 -0.4614000 1.843000 
1 1 1   -1   21   18 o   17.960   0.4818   18.180   0.6584   17.740   0.7035 0.4368000 0.9635000 
1 1 1   -1   21   19 o   4.8320   1.1430   3.1080   1.4460   6.5570   1.7700 -3.448000 2.286000 
1 1 1   -1   21   20 o   11.620   0.7231   11.270   1.0260   11.970   1.0200 -0.6981000 1.446000 
1 1 1   -1   21   21 o   13.810   0.6395   14.000   0.8489   13.630   0.9567 0.3675000 1.279000 
1 1 1   -1   21   22 o   4.7450   1.3850   4.3550   1.8820   5.1350   2.0340 -0.7798000 2.771000 
1 1 1   -1   21   23 o   5.7450   1.2830   3.7800   1.6700   7.7100   1.9470 -3.930000 2.566000 
1 1 1   -1   21   24 o   4.1030   1.2500   4.6600   1.8610   3.5460   1.6690 1.114000 2.500000 
1 1 1   -1   21   25 o   5.6360   1.3770   5.6620   1.9070   5.6100   1.9880 0.5216000E-01 2.755000 
1 1 1   -1   21   26 o   4.7410   1.3190   4.0740   1.7470   5.4090   1.9760 -1.335000 2.638000 
1 1 1   -1   21   27 o   2.7630   0.9724   2.9890   1.4640   2.5360   1.2800 0.4529000 1.945000 
1 1 1   -1   21   28 o   4.5640   1.3870   4.6410   1.9590   4.4870   1.9640 0.1548000 2.774000 
1 1 1   -1   21   29 o   3.0490   1.0530   3.5020   1.6490   2.5970   1.3100 0.9048000 2.106000 
1 1 1   -1   21   30 o   2.5080   0.8922   2.3310   1.1730   2.6860   1.3440 -0.3544000 1.784000 
1 1 1   -1   23    1 o   21.460   0.5769   21.190   0.7456   21.720   0.8806 -0.5306000 1.154000 
1 1 1   -1   23    2 o   13.480   0.8575   13.340   1.0830   13.630   1.3300 -0.2882000 1.715000 
1 1 1   -1   23    3 o   38.660   0.4864   37.710   0.6530   39.610   0.7210 -1.898000 0.9728000 
1 1 1   -1   23    4 o   31.730   0.4083   31.690   0.5598   31.760   0.5946 -0.6594000E-01 0.8167000 
1 1 1   -1   23    5 o   22.430   0.4665   22.340   0.6281   22.520   0.6900 -0.1734000 0.9331000 
1 1 1   -1   23    6 o   22.940   0.4606   22.650   0.6328   23.240   0.6693 -0.5903000 0.9211000 
1 1 1   -1   23    7 o   12.740   0.6483   12.290   0.8978   13.190   0.9355 -0.8971000 1.297000 
1 1 1   -1   23    8 o   12.180   0.6703   11.760   0.9297   12.610   0.9658 -0.8592000 1.341000 
1 1 1   -1   23    9 o   23.510   0.4194   22.720   0.5374   24.290   0.6440 -1.564000 0.8388000 
1 1 1   -1   23   10 o   5.3010   1.2060   6.1950   1.6320   4.4070   1.7770 1.788000 2.413000 
1 1 1   -1   23   11 o   8.0430   1.0130   8.6810   1.2400   7.4050   1.6010 1.276000 2.025000 
1 1 1   -1   23   12 o   7.5290   1.0890   8.2180   1.3390   6.8400   1.7190 1.378000 2.179000 
1 1 1   -1   23   13 o   4.4510   1.2060   4.9870   1.7260   3.9150   1.6850 1.072000 2.412000 
1 1 1   -1   23   14 o   13.520   0.6146   14.080   0.7760   12.960   0.9532 1.120000 1.229000 
1 1 1   -1   23   15 o   18.080   0.4943   17.720   0.6947   18.440   0.7035 -0.7204000 0.9886000 
1 1 1   -1   23   16 o   4.8400   1.2640   5.1970   1.7910   4.4830   1.7840 0.7137000 2.527000 
1 1 1   -1   23   17 o   12.980   0.6768   13.280   0.8907   12.680   1.0190 0.5964000 1.354000 
1 1 1   -1   23   18 o   4.2620   1.2290   3.5670   1.5940   4.9580   1.8720 -1.391000 2.459000 
1 1 1   -1   23   19 o   4.4160   1.3100   5.4210   2.0530   3.4100   1.6270 2.011000 2.620000 
1 1 1   -1   23   20 o   5.9930   1.4710   5.4590   2.0710   6.5270   2.0880 -1.067000 2.941000 
1 1 1   -1   23   21 o   5.4100   1.3930   5.1040   1.9120   5.7160   2.0260 -0.6123000 2.786000 
1 1 1   -1   23   22 o   10.280   1.0690   9.5400   1.4960   11.020   1.5270 -1.479000 2.138000 
1 1 1   -1   23   23 f   5.3860   1.3730   4.8100   1.8780   5.9620   2.0050 -1.151000 2.747000 
1 1 1   -1   23   24 o   6.9920   1.3370   6.3300   1.9330   7.6540   1.8470 -1.324000 2.674000 
1 1 1   -1   23   25 o   3.8480   1.2320   2.8400   1.4050   4.8560   2.0240 -2.016000 2.464000 
1 1 1   -1   23   26 o   2.8720   1.0100   2.8090   1.3970   2.9360   1.4580 -0.1267000 2.019000 
1 1 1   -1   23   27 o   3.0560   1.0580   2.8830   1.4190   3.2290   1.5700 -0.3454000 2.116000 
1 1 1   -1   23   28 f   3.2540   1.0690   2.5050   1.2480   4.0030   1.7370 -1.498000 2.139000 
1 1 1   -1   25    1 o   11.990   0.6565   12.510   0.8622   11.470   0.9902 1.032000 1.313000 
1 1 1   -1   25    2 f   6.1490   1.1530   4.9120   1.7240   7.3850   1.5330 -2.473000 2.307000 
1 1 1   -1   25    3 o   24.730   0.3705   24.140   0.5220   25.310   0.5259 -1.174000 0.7410000 
1 1 1   -1   25    4 o   5.5880   1.2750   5.3570   1.7420   5.8180   1.8610 -0.4605000 2.549000 
1 1 1   -1   25    5 o   30.480   0.3558   30.620   0.4811   30.340   0.5244 0.2809000 0.7117000 
1 1 1   -1   25    6 o   13.740   0.6129   13.240   0.8479   14.230   0.8854 -0.9971000 1.226000 
1 1 1   -1   25    7 o   28.200   0.3627   28.150   0.4949   28.260   0.5305 -0.1113000 0.7255000 
1 1 1   -1   25    8 o   23.140   0.4032   23.790   0.5356   22.500   0.6028 1.287000 0.8063000 
1 1 1   -1   25    9 f   14.210   0.5936   14.160   0.7950   14.270   0.8817 -0.1087000 1.187000 
1 1 1   -1   25   10 o   4.7200   1.2500   4.4280   1.6980   5.0120   1.8350 -0.5842000 2.500000 
1 1 1   -1   25   11 o   5.0830   1.1720   6.3940   1.6550   3.7710   1.6580 2.623000 2.343000 
1 1 1   -1   25   12 f   3.9170   1.1800   3.5400   1.5590   4.2930   1.7720 -0.7534000 2.360000 
1 1 1   -1   25   13 o   4.9000   1.2780   4.5490   1.7380   5.2510   1.8740 -0.7025000 2.556000 
1 1 1   -1   25   14 o   6.7140   1.2340   7.2490   1.6410   6.1790   1.8430 1.070000 2.467000 
1 1 1   -1   25   15 o   10.600   0.8344   9.1280   1.2950   12.070   1.0530 -2.943000 1.669000 
1 1 1   -1   25   16 o   4.0780   1.2060   3.2420   1.4960   4.9130   1.8920 -1.670000 2.412000 
1 1 1   -1   25   17 o   11.810   0.9824   11.930   1.3450   11.700   1.4330 0.2367000 1.965000 
1 1 1   -1   25   18 o   4.1380   1.3400   4.9400   2.1240   3.3350   1.6330 1.604000 2.680000 
1 1 1   -1   25   19 o   7.0300   1.4110   6.5730   1.9660   7.4880   2.0240 -0.9150000 2.822000 
1 1 1   -1   25   20 o   6.9740   1.3700   7.1360   1.8760   6.8120   1.9980 0.3237000 2.741000 
1 1 1   -1   25   21 o   6.8740   1.3520   7.4260   1.8370   6.3220   1.9830 1.104000 2.703000 
1 1 1   -1   25   22 o   6.1270   1.3930   5.5570   1.9690   6.6970   1.9730 -1.141000 2.787000 
1 1 1   -1   25   23 o   6.9850   1.3670   8.9920   1.8070   4.9780   2.0510 4.014000 2.733000 
1 1 1   -1   25   24 o   3.9280   1.2630   4.0090   1.8000   3.8470   1.7710 0.1616000 2.526000 
1 1 1   -1   25   25 o   3.0640   1.0610   2.8750   1.4180   3.2520   1.5790 -0.3773000 2.122000 
1 1 1   -1   25   26 o   3.4250   1.1230   3.5530   1.6200   3.2980   1.5570 0.2554000 2.247000 
1 1 1   -1   27    1 o   7.8130   1.0460   7.9600   1.4460   7.6650   1.5120 0.2950000 2.092000 
1 1 1   -1   27    2 o   6.9230   1.1590   6.5650   1.6690   7.2810   1.6070 -0.7160000 2.317000 
1 1 1   -1   27    3 o   6.6930   1.1910   6.7160   1.6570   6.6700   1.7100 0.4593000E-01 2.381000 
1 1 1   -1   27    4 o   5.3600   1.2580   6.0590   1.7380   4.6600   1.8200 1.399000 2.516000 
1 1 1   -1   27    5 o   12.090   0.7229   12.940   0.8960   11.240   1.1350 1.703000 1.446000 
1 1 1   -1   27    6 o   20.030   0.4629   19.890   0.6239   20.170   0.6840 -0.2715000 0.9258000 
1 1 1   -1   27    7 o   20.980   0.4465   21.000   0.6014   20.970   0.6601 0.2584000E-01 0.8930000 
1 1 1   -1   27    8 o   13.490   0.6514   12.770   0.9293   14.210   0.9130 -1.449000 1.303000 
1 1 1   -1   27    9 o   8.1770   1.0840   9.2240   1.2780   7.1300   1.7520 2.093000 2.169000 
1 1 1   -1   27   10 o   17.340   0.5282   18.030   0.6850   16.650   0.8042 1.371000 1.056000 
1 1 1   -1   27   11 o   8.6460   1.0520   7.6450   1.5980   9.6470   1.3670 -2.002000 2.103000 
1 1 1   -1   27   12 o   10.150   0.9177   10.270   1.2090   10.030   1.3810 0.2361000 1.835000 
1 1 1   -1   27   13 o   12.420   0.9009   12.720   1.1630   12.110   1.3760 0.6125000 1.802000 
1 1 1   -1   27   14 o   6.9480   1.3750   8.4510   1.8100   5.4460   2.0720 3.005000 2.751000 
1 1 1   -1   27   15 o   3.0890   1.0570   3.4450   1.6180   2.7340   1.3610 0.7114000 2.115000 
1 1 1   -1   27   16 o   4.4890   1.3410   4.3630   1.8510   4.6150   1.9410 -0.2511000 2.682000 
1 1 1   -1   27   17 o   4.2930   1.2860   4.4480   1.8260   4.1370   1.8120 0.3116000 2.572000 
1 1 1   -1   27   18 o   3.8690   1.2160   3.8680   1.7030   3.8710   1.7350 -0.3053000E-02 2.432000 
1 1 1   -1   27   19 o   3.2780   1.0980   3.3550   1.5670   3.2000   1.5380 0.1542000 2.196000 
1 1 1   -1   27   20 o   3.8960   1.2110   3.1020   1.4920   4.6900   1.9090 -1.588000 2.423000 
1 1 1   -1   27   21 o   2.7530   0.9711   3.0720   1.4980   2.4340   1.2370 0.6375000 1.942000 
1 1 1   -1   27   22 o   3.7580   1.2320   3.4490   1.6400   4.0670   1.8390 -0.6183000 2.464000 
1 1 1   -1   27   23 o   3.0060   1.0410   3.4130   1.6170   2.6000   1.3110 0.8122000 2.081000 
1 1 1   -1   27   24 o   3.3900   1.0700   4.5890   1.8230   2.1900   1.1210 2.399000 2.140000 
1 1 1   -1   29    1 o   12.770   0.6661   13.620   0.8674   11.930   1.0110 1.692000 1.332000 
1 1 1   -1   29    2 o   5.2350   1.2760   5.5440   1.8030   4.9260   1.8060 0.6182000 2.552000 
1 1 1   -1   29    3 o   3.7110   1.1430   3.1120   1.4620   4.3110   1.7580 -1.199000 2.286000 
1 1 1   -1   29    4 o   5.3990   1.3180   5.1510   1.8140   5.6460   1.9120 -0.4960000 2.635000 
1 1 1   -1   29    5 o   4.6460   1.2510   3.5540   1.5930   5.7380   1.9300 -2.184000 2.503000 
1 1 1   -1   29    6 o   3.1980   1.0660   3.1250   1.4700   3.2710   1.5460 -0.1455000 2.133000 
1 1 1   -1   29    7 o   4.1290   1.2860   3.5600   1.6490   4.6990   1.9740 -1.139000 2.572000 
1 1 1   -1   29    8 o   7.8780   1.3720   8.6740   1.7560   7.0830   2.1080 1.591000 2.743000 
1 1 1   -1   29    9 o   7.5560   1.6440   7.4670   2.2800   7.6450   2.3690 -0.1778000 3.288000 
1 1 1   -1   29   10 o   5.0560   1.5140   5.5510   2.2260   4.5600   2.0520 0.9904000 3.027000 
1 1 1   -1   29   11 o   4.3960   1.2900   5.4390   2.0240   3.3530   1.6000 2.086000 2.580000 
1 1 1   -1   29   12 o   4.4240   1.2430   6.1070   2.0780   2.7410   1.3640 3.366000 2.486000 
1 1 1   -1   29   13 o   5.5040   1.2940   4.0240   1.7450   6.9840   1.9110 -2.961000 2.588000 
1 1 1   -1   29   14 o   4.7640   1.3320   4.9940   1.8920   4.5340   1.8750 0.4598000 2.664000 
1 1 1   -1   29   15 o   2.6380   0.9282   2.7990   1.3740   2.4760   1.2480 0.3234000 1.856000 
1 1 1   -1   29   16 o   3.7120   1.1780   2.8190   1.3800   4.6040   1.9090 -1.785000 2.355000 
1 1 1   -1   29   17 o   3.6500   1.1590   2.8390   1.3880   4.4600   1.8570 -1.622000 2.318000 
1 1 1   -1   29   18 o   4.2620   1.3040   3.5840   1.6660   4.9400   2.0070 -1.356000 2.609000 
1 1 1   -1   29   19 f   2.6510   1.3460  ?   ?    2.6510   1.3460      ?      ? 
1 1 1   -1   29   20 o   3.2090   1.1020   3.5090   1.6700   2.9090   1.4380 0.5994000 2.204000 
1 1 1   -1   29   21 o   2.6520   0.9362   2.5960   1.3130   2.7090   1.3350 -0.1125000 1.872000 
1 1 1   -1   31    1 o   5.0710   1.4010   4.8870   1.9640   5.2540   1.9980 -0.3670000 2.802000 
1 1 1   -1   31    2 o   8.8510   1.2240   8.6080   1.7770   9.0940   1.6830 -0.4850000 2.448000 
1 1 1   -1   31    3 o   12.550   0.9542   11.770   1.2980   13.330   1.3990 -1.560000 1.908000 
1 1 1   -1   31    4 o   10.870   0.8941   10.770   1.2640   10.960   1.2640 -0.1883000 1.788000 
1 1 1   -1   31    5 o   7.7220   1.2460   8.3280   1.6420   7.1170   1.8750 1.211000 2.492000 
1 1 1   -1   31    6 o   3.9030   1.2050   3.2350   1.5240   4.5710   1.8670 -1.336000 2.410000 
1 1 1   -1   31    7 o   4.6510   1.3250   4.2550   1.7940   5.0470   1.9500 -0.7915000 2.650000 
1 1 1   -1   31    8 o   4.2100   1.2750   4.1040   1.7650   4.3170   1.8410 -0.2128000 2.550000 
1 1 1   -1   31    9 o   7.9050   1.2440   9.1580   1.5180   6.6510   1.9700 2.508000 2.487000 
1 1 1   -1   31   10 o   3.6020   1.1630   3.5820   1.6330   3.6220   1.6560 -0.4085000E-01 2.326000 
1 1 1   -1   31   11 o   5.3990   1.3720   5.4430   1.9220   5.3550   1.9580 0.8803000E-01 2.744000 
1 1 1   -1   31   12 o   5.1190   1.3180   5.9710   1.8960   4.2680   1.8320 1.703000 2.637000 
1 1 1   -1   31   13 o   3.8910   1.2040   4.5780   1.8340   3.2030   1.5590 1.375000 2.408000 
1 1 1   -1   31   14 o   5.1020   1.4760   4.2840   2.0590   5.9200   2.1150 -1.636000 2.952000 
1 1 1   -1   31   15 f   3.7950   1.2760   3.7140   1.8350   3.8760   1.7740 -0.1620000 2.552000 
1 1 1   -1   31   16 o   4.4210   1.3600   5.0440   2.0800   3.7970   1.7530 1.247000 2.720000 
1 1 1   -1   31   17 o   2.5830   0.9216   2.3360   1.1930   2.8290   1.4050 -0.4928000 1.843000 
1 1 1   -1   31   18 o   1.4410   0.7524  ?   ?    1.4410   0.7524      ?      ? 
1 1 1   -1   33    1 f   5.1370   1.3580   5.1810   1.8940   5.0920   1.9480 0.8924000E-01 2.717000 
1 1 1   -1   33    2 o   11.510   0.8453   11.510   1.1450   11.500   1.2440 0.1557000E-01 1.691000 
1 1 1   -1   33    3 o   4.3890   1.2370   5.4960   1.8940   3.2820   1.5910 2.214000 2.473000 
1 1 1   -1   33    4 o   4.6820   1.2620   5.8000   1.9120   3.5650   1.6470 2.235000 2.523000 
1 1 1   -1   33    5 o   4.1560   1.2310   4.8980   1.8720   3.4130   1.6000 1.485000 2.462000 
1 1 1   -1   33    6 o   5.0190   1.3380   5.5570   1.9210   4.4800   1.8630 1.077000 2.676000 
1 1 1   -1   33    7 o   3.2700   1.1460   3.5160   1.7490   3.0250   1.4820 0.4909000 2.293000 
1 1 1   -1   33    8 o   2.8830   1.0270   3.0580   1.5480   2.7090   1.3510 0.3490000 2.054000 
1 1 1   -1   33    9 o   3.6180   1.1980   2.9580   1.5070   4.2770   1.8620 -1.319000 2.395000 
1 1 1   -1   33   10 o   2.8950   1.0320   2.7900   1.4240   2.9990   1.4950 -0.2090000 2.065000 
1 1 1   -1   33   11 o   3.1730   1.0960   3.5940   1.7130   2.7520   1.3680 0.8418000 2.192000 
1 1 1   -1   33   12 o   2.7000   0.9580   2.7380   1.3790   2.6610   1.3310 0.7625000E-01 1.916000 
1 1 1   -1   33   13 o   2.1140   0.7728   2.1610   1.1120   2.0670   1.0730 0.9377000E-01 1.546000 
1 1 1   -1   35    1 o   2.9010   1.0080   2.8510   1.4260   2.9510   1.4240 -0.1002000 2.015000 
1 1 1   -1   35    2 o   2.5690   0.9068   2.2210   1.1400   2.9160   1.4100 -0.6952000 1.814000 
1 1 1   -1   35    3 o   2.7890   0.9881   2.3660   1.2240   3.2110   1.5520 -0.8447000 1.976000 
1 1 1   -1   35    4 o   1.9780   1.0280   1.9780   1.0280  ?   ?       ?      ? 
1 1 1    0    0    2 o   76.330   0.6775   76.330   0.6775   76.330   0.6775 -0.000000 0.000000 
1 1 1    0    0    3 o   54.640   0.4873   54.640   0.4873   54.640   0.4873 -0.000000 0.000000 
1 1 1    0    0    4 o   28.570   0.3770   28.570   0.3770   28.570   0.3770 -0.000000 0.000000 
1 1 1    0    0    5 o   23.540   0.3388   23.540   0.3388   23.540   0.3388 0.000000 0.000000 
1 1 1    0    0    6 o  102.400   0.9108  102.400   0.9108  102.400   0.9108 -0.000000 0.000000 
1 1 1    0    0    7 o  156.300   1.3880  156.300   1.3880  156.300   1.3880 -0.000000 0.000000 
1 1 1    0    0    8 o   50.280   0.4590   50.280   0.4590   50.280   0.4590 0.000000 0.000000 
1 1 1    0    0    9 o   24.550   0.2829   24.550   0.2829   24.550   0.2829 0.000000 0.000000 
1 1 1    0    0   10 o   5.5030   1.3510   5.5030   1.3510   5.5030   1.3510 0.000000 0.000000 
1 1 1    0    0   11 o   11.230   0.4176   11.230   0.4176   11.230   0.4176 0.000000 0.000000 
1 1 1    0    0   12 o   12.450   0.4153   12.450   0.4153   12.450   0.4153 -0.000000 0.000000 
1 1 1    0    0   13 o   30.040   0.3421   30.040   0.3421   30.040   0.3421 0.000000 0.000000 
1 1 1    0    0   14 o   25.180   0.3440   25.180   0.3440   25.180   0.3440 0.000000 0.000000 
1 1 1    0    0   15 o   91.230   0.8208   91.230   0.8208   91.230   0.8208 -0.000000 0.000000 
1 1 1    0    0   16 o   70.000   0.6436   70.000   0.6436   70.000   0.6436 -0.000000 0.000000 
1 1 1    0    0   17 o   14.480   0.5778   14.480   0.5778   14.480   0.5778 -0.000000 0.000000 
1 1 1    0    0   18 f   12.190   1.0550   12.190   1.0550   12.190   1.0550 -0.000000 0.000000 
1 1 1    0    0   19 o   14.110   1.0060   14.110   1.0060   14.110   1.0060 -0.000000 0.000000 
1 1 1    0    0   20 o   17.590   0.6317   17.590   0.6317   17.590   0.6317 0.000000 0.000000 
1 1 1    0    0   21 o   25.900   0.5114   25.900   0.5114   25.900   0.5114 -0.000000 0.000000 
1 1 1    0    0   22 f   3.6540   1.9820   3.6540   1.9820   3.6540   1.9820 -0.000000 0.000000 
1 1 1    0    0   23 o   31.840   0.7110   31.840   0.7110   31.840   0.7110 -0.000000 0.000000 
1 1 1    0    0   24 o   18.840   0.8491   18.840   0.8491   18.840   0.8491 0.000000 0.000000 
1 1 1    0    0   25 o   2.1160   1.4470   2.1160   1.4470   2.1160   1.4470 0.000000 0.000000 
1 1 1    0    0   26 o   17.430   0.6227   17.430   0.6227   17.430   0.6227 -0.000000 0.000000 
1 1 1    0    0   27 o   5.5880   1.9380   5.5880   1.9380   5.5880   1.9380 0.000000 0.000000 
1 1 1    0    0   28 o   6.2860   1.7710   6.2860   1.7710   6.2860   1.7710 0.000000 0.000000 
1 1 1    0    0   29 o   2.7420   1.7350   2.7420   1.7350   2.7420   1.7350 -0.000000 0.000000 
1 1 1    0    0   30 o   12.380   0.8979   12.380   0.8979   12.380   0.8979 -0.000000 0.000000 
1 1 1    0    0   31 o   4.0000   2.2990   4.0000   2.2990   4.0000   2.2990 -0.000000 0.000000 
1 1 1    0    0   32 o   8.1350   1.7160   8.1350   1.7160   8.1350   1.7160 -0.000000 0.000000 
1 1 1    0    0   33 o   2.2330   1.5600   2.2330   1.5600   2.2330   1.5600 0.000000 0.000000 
1 1 1    0    0   34 o   4.6060   2.3470   4.6060   2.3470   4.6060   2.3470 -0.000000 0.000000 
1 1 1    0    0   35 o   2.4900   1.7860   2.4900   1.7860   2.4900   1.7860 0.000000 0.000000 
1 1 1    0    0   36 o   2.1020   1.4950   2.1020   1.4950   2.1020   1.4950 0.000000 0.000000 
1 1 1    0    0   37 o   2.2960   1.6040   2.2960   1.6040   2.2960   1.6040 -0.000000 0.000000 
1 1 1    0    2    0 o  227.800   2.0420  227.700   2.8870  228.000   2.8900 -0.2557000 4.085000 
1 1 1    0    2    1 o   86.330   0.5427   86.070   0.7652   86.580   0.7697 -0.5129000 1.085000 
1 1 1    0    2    2 o  110.300   0.6938  111.000   0.9867  109.700   0.9756 1.240000 1.388000 
1 1 1    0    2    3 o   38.760   0.2499   38.480   0.3511   39.030   0.3558 -0.5512000 0.4998000 
1 1 1    0    2    4 o   86.070   0.7685   86.310   1.0900   85.830   1.0840 0.4866000 1.537000 
1 1 1    0    2    5 o   72.190   0.4560   71.660   0.6400   72.720   0.6497 -1.062000 0.9120000 
1 1 1    0    2    6 o   45.440   0.2940   45.180   0.4133   45.710   0.4181 -0.5293000 0.5879000 
1 1 1    0    2    7 o   63.830   0.4058   64.150   0.5764   63.510   0.5713 0.6389000 0.8116000 
1 1 1    0    2    8 o   20.760   0.1916   20.890   0.2689   20.620   0.2731 0.2692000 0.3833000 
1 1 1    0    2    9 o   34.910   0.2837   35.140   0.4012   34.680   0.4012 0.4607000 0.5674000 
1 1 1    0    2   10 o   89.850   0.8069   89.820   1.1410   89.880   1.1410 -0.5636000E-01 1.614000 
1 1 1    0    2   11 o   46.640   0.3105   46.530   0.4375   46.750   0.4407 -0.2269000 0.6210000 
1 1 1    0    2   12 o   35.200   0.2557   35.070   0.3599   35.330   0.3634 -0.2609000 0.5115000 
1 1 1    0    2   13 o   28.210   0.2375   28.160   0.3319   28.260   0.3398 -0.1014000 0.4750000 
1 1 1    0    2   14 o   51.000   0.3408   51.020   0.4818   50.980   0.4821 0.4390000E-01 0.6816000 
1 1 1    0    2   15 o   32.200   0.2651   32.240   0.3738   32.160   0.3760 0.7570000E-01 0.5302000 
1 1 1    0    2   16 o   52.430   0.3579   52.180   0.5037   52.690   0.5086 -0.5100000 0.7158000 
1 1 1    0    2   17 o   95.410   0.6092   94.900   0.8568   95.930   0.8662 -1.023000 1.218000 
1 1 1    0    2   18 o   40.200   0.4350   39.730   0.6074   40.670   0.6228 -0.9340000 0.8700000 
1 1 1    0    2   19 o   15.240   0.6374   14.360   0.9148   16.120   0.8880 -1.759000 1.275000 
1 1 1    0    2   20 o   13.370   0.6006   13.890   0.7957   12.860   0.8999 1.026000 1.201000 
1 1 1    0    2   21 f   54.210   0.3849   54.230   0.5437   54.190   0.5450 0.4831000E-01 0.7699000 
1 1 1    0    2   22 o   31.740   0.3320   32.120   0.4656   31.370   0.4735 0.7500000 0.6640000 
1 1 1    0    2   23 o   23.190   0.5499   23.470   0.7811   22.920   0.7743 0.5411000 1.100000 
1 1 1    0    2   24 o   7.0540   1.0840   9.6030   1.2750   4.5040   1.7530 5.099000 2.168000 
1 1 1    0    2   25 o   37.450   0.3265   36.750   0.4565   38.150   0.4669 -1.391000 0.6530000 
1 1 1    0    2   26 o   9.2600   0.7586   9.0120   1.0770   9.5090   1.0690 -0.4973000 1.517000 
1 1 1    0    2   27 o   13.830   0.5217   13.700   0.7254   13.950   0.7499 -0.2538000 1.043000 
1 1 1    0    2   28 f   5.0240   1.1160   3.7660   1.5590   6.2830   1.5960 -2.517000 2.231000 
1 1 1    0    2   29 o   3.5520   1.0880   3.8020   1.5870   3.3010   1.4880 0.5017000 2.176000 
1 1 1    0    2   30 o   6.6800   1.1320   5.8450   1.7170   7.5150   1.4770 -1.670000 2.265000 
1 1 1    0    2   31 o   6.0590   1.3560   7.3160   1.9120   4.8020   1.9250 2.514000 2.713000 
1 1 1    0    2   32 o   8.9930   0.9999   10.140   1.2050   7.8430   1.5960 2.300000 2.000000 
1 1 1    0    2   33 o   8.0900   1.2100   7.1600   1.8760   9.0210   1.5280 -1.860000 2.420000 
1 1 1    0    2   34 o   4.9260   1.3470   4.4240   1.8450   5.4290   1.9630 -1.004000 2.694000 
1 1 1    0    2   35 o   3.3680   1.1650   3.8010   1.7990   2.9360   1.4790 0.8646000 2.329000 
1 1 1    0    2   36 o   2.6610   0.9343   2.5600   1.2790   2.7620   1.3620 -0.2015000 1.869000 
1 1 1    0    2   37 o   2.2360   0.8035   2.3360   1.1810   2.1360   1.0900 0.1999000 1.607000 
1 1 1    0    4    0 o  103.600   1.3110  105.200   1.8830  101.900   1.8230 3.281000 2.621000 
1 1 1    0    4    1 o   76.040   0.6792   76.750   0.9694   75.320   0.9517 1.428000 1.358000 
1 1 1    0    4    2 o   49.140   0.4466   49.260   0.6323   49.030   0.6308 0.2293000 0.8931000 
1 1 1    0    4    3 o   70.090   0.6283   70.140   0.8887   70.050   0.8884 0.9845000E-01 1.257000 
1 1 1    0    4    4 o  138.800   0.8730  139.000   1.2370  138.600   1.2320 0.4594000 1.746000 
1 1 1    0    4    5 o   81.250   0.5136   81.310   0.7266   81.180   0.7261 0.1291000 1.027000 
1 1 1    0    4    6 o   49.790   0.3235   50.050   0.4594   49.520   0.4555 0.5297000 0.6469000 
1 1 1    0    4    7 o  173.000   1.0880  173.200   1.5410  172.800   1.5370 0.4733000 2.177000 
1 1 1    0    4    8 o   58.780   0.4097   59.320   0.6241   58.240   0.5310 1.081000 0.8194000 
1 1 1    0    4    9 o   72.060   0.6515   72.090   0.9222   72.030   0.9204 0.5489000E-01 1.303000 
1 1 1    0    4   10 o   86.620   0.5504   86.570   0.7777   86.680   0.7791 -0.1117000 1.101000 
1 1 1    0    4   11 f   17.200   0.2437   17.400   0.3379   17.000   0.3513 0.3931000 0.4874000 
1 1 1    0    4   12 o   17.260   0.2545   17.240   0.3624   17.270   0.3573 -0.2692000E-01 0.5089000 
1 1 1    0    4   13 f   49.860   0.3347   50.290   0.4765   49.430   0.4702 0.8677000 0.6694000 
1 1 1    0    4   14 o   25.200   0.2513   25.380   0.3506   25.020   0.3600 0.3616000 0.5026000 
1 1 1    0    4   15 o   22.170   0.2853   22.140   0.3930   22.200   0.4136 -0.5965000E-01 0.5705000 
1 1 1    0    4   16 o   55.430   0.3761   55.770   0.5323   55.090   0.5315 0.6819000 0.7522000 
1 1 1    0    4   17 f   2.0500   0.7245   2.0580   1.0250   2.0420   1.0240 0.1516000E-01 1.449000 
1 1 1    0    4   18 o   40.910   0.4542   40.670   0.6339   41.150   0.6507 -0.4857000 0.9084000 
1 1 1    0    4   19 o   56.480   0.3986   56.370   0.5624   56.600   0.5651 -0.2325000 0.7973000 
1 1 1    0    4   20 o   57.830   0.4032   57.770   0.5700   57.880   0.5704 -0.1111000 0.8064000 
1 1 1    0    4   21 o   28.980   0.3417   29.400   0.4705   28.570   0.4956 0.8326000 0.6834000 
1 1 1    0    4   22 o   20.610   0.4082   20.430   0.5624   20.800   0.5918 -0.3742000 0.8164000 
1 1 1    0    4   23 o   11.900   0.9240   12.460   1.1970   11.340   1.4080 1.123000 1.848000 
1 1 1    0    4   24 o   22.330   0.3717   22.140   0.5205   22.510   0.5309 -0.3670000 0.7435000 
1 1 1    0    4   25 o   22.270   0.3634   22.130   0.5102   22.410   0.5176 -0.2849000 0.7268000 
1 1 1    0    4   26 f   12.500   0.5673   12.170   0.8113   12.820   0.7930 -0.6538000 1.135000 
1 1 1    0    4   27 o   7.1970   1.0260   7.5380   1.3460   6.8560   1.5480 0.6813000 2.051000 
1 1 1    0    4   28 o   9.5740   0.7510   9.2930   1.0600   9.8550   1.0640 -0.5617000 1.502000 
1 1 1    0    4   29 o   10.820   0.6963   10.150   1.0100   11.490   0.9588 -1.334000 1.393000 
1 1 1    0    4   30 o   19.210   0.4417   18.830   0.6068   19.590   0.6419 -0.7560000 0.8833000 
1 1 1    0    4   31 o   20.920   0.8954  ?   ?    20.920   0.8954      ?      ? 
1 1 1    0    4   32 o   7.0150   1.2610   7.6430   1.7150   6.3870   1.8480 1.256000 2.521000 
1 1 1    0    4   33 o   12.360   0.7800   13.610   0.9615   11.110   1.2280 2.509000 1.560000 
1 1 1    0    4   34 o   3.8800   1.1810   2.7390   1.3460   5.0200   1.9420 -2.281000 2.363000 
1 1 1    0    4   35 o   4.9410   1.5080   4.0860   1.8970   5.7950   2.3440 -1.708000 3.016000 
1 1 1    0    4   36 o   2.8470   0.9893   3.0920   1.4920   2.6020   1.3000 0.4902000 1.979000 
1 1 1    0    4   37 o   2.1920   0.7897   2.3320   1.1800   2.0530   1.0500 0.2797000 1.579000 
1 1 1    0    6    0 o  108.700   0.9689  108.100   1.3620  109.400   1.3780 -1.268000 1.938000 
1 1 1    0    6    1 o  121.400   0.7639  121.600   1.0820  121.200   1.0790 0.3810000 1.528000 
1 1 1    0    6    2 o  144.400   0.9076  144.800   1.2870  144.100   1.2800 0.7118000 1.815000 
1 1 1    0    6    3 o  103.800   0.6543  103.700   0.9245  103.900   0.9261 -0.1472000 1.309000 
1 1 1    0    6    4 o   79.800   0.5062   80.070   0.7181   79.520   0.7135 0.5445000 1.012000 
1 1 1    0    6    5 o  107.000   0.6751  107.000   0.9542  107.100   0.9553 -0.1285000 1.350000 
1 1 1    0    6    6 o  110.500   0.6974  110.600   0.9870  110.400   0.9856 0.1959000 1.395000 
1 1 1    0    6    7 o   67.880   0.5034   68.200   0.7151   67.570   0.7087 0.6226000 1.007000 
1 1 1    0    6    8 o   16.020   0.3601   16.240   0.5056   15.800   0.5129 0.4406000 0.7202000 
1 1 1    0    6    9 o   22.240   0.2311   22.310   0.3236   22.170   0.3301 0.1385000 0.4623000 
1 1 1    0    6   10 o   9.1670   0.4254   8.6420   0.6212   9.6920   0.5814 -1.050000 0.8508000 
1 1 1    0    6   11 o   40.750   0.2877   41.150   0.4093   40.350   0.4044 0.7946000 0.5754000 
1 1 1    0    6   12 o   19.760   0.2766   20.380   0.3973   19.130   0.3850 1.249000 0.5532000 
1 1 1    0    6   13 o   63.480   0.4144   63.570   0.5866   63.390   0.5855 0.1796000 0.8288000 
1 1 1    0    6   14 o   64.620   0.4235   64.570   0.5976   64.660   0.6003 -0.8282000E-01 0.8471000 
1 1 1    0    6   15 o   33.930   0.3642   33.420   0.5518   34.440   0.4756 -1.021000 0.7285000 
1 1 1    0    6   16 o   37.840   0.3058   38.060   0.4297   37.610   0.4352 0.4452000 0.6116000 
1 1 1    0    6   17 o   2.3250   0.8210   2.3300   1.1630   2.3210   1.1590 0.9352000E-02 1.642000 
1 1 1    0    6   18 o   62.820   0.6004   62.500   0.8416   63.140   0.8564 -0.6470000 1.201000 
1 1 1    0    6   19 o   55.190   0.4545   55.490   0.6498   54.880   0.6357 0.6041000 0.9090000 
1 1 1    0    6   20 o   18.360   0.4531   17.870   0.6358   18.850   0.6458 -0.9776000 0.9062000 
1 1 1    0    6   21 o   42.280   0.3428   42.030   0.4764   42.540   0.4931 -0.5064000 0.6856000 
1 1 1    0    6   22 o   19.940   0.4982   19.800   0.6619   20.090   0.7447 -0.2870000 0.9964000 
1 1 1    0    6   23 o   9.1500   1.2420   7.9580   1.8840   10.340   1.6200 -2.386000 2.485000 
1 1 1    0    6   24 o   15.500   0.4731   15.270   0.6627   15.720   0.6754 -0.4495000 0.9462000 
1 1 1    0    6   25 o   6.7930   1.0310   6.6640   1.4650   6.9230   1.4520 -0.2592000 2.062000 
1 1 1    0    6   26 o   8.3650   0.8423   8.0940   1.1940   8.6360   1.1880 -0.5418000 1.685000 
1 1 1    0    6   27 o   19.500   0.4030   19.420   0.5559   19.580   0.5835 -0.1532000 0.8059000 
1 1 1    0    6   28 o   8.8630   0.8190   8.9810   1.0880   8.7460   1.2240 0.2355000 1.638000 
1 1 1    0    6   29 o   11.800   0.6473   12.300   0.8501   11.310   0.9763 0.9902000 1.295000 
1 1 1    0    6   30 o   5.9780   1.3350   5.9210   1.8920   6.0350   1.8830 -0.1141000 2.670000 
1 1 1    0    6   31 o   3.8100   1.2370   4.1730   1.8560   3.4480   1.6350 0.7250000 2.474000 
1 1 1    0    6   32 o   6.6340   1.2670   6.1750   1.8390   7.0930   1.7440 -0.9182000 2.535000 
1 1 1    0    6   33 o   5.2140   1.2850   6.4170   1.8820   4.0100   1.7510 2.407000 2.571000 
1 1 1    0    6   34 o   4.4700   1.2050   5.8910   1.9040   3.0480   1.4770 2.844000 2.410000 
1 1 1    0    6   35 o   4.0410   1.3430   3.3020   1.6310   4.7810   2.1350 -1.479000 2.686000 
1 1 1    0    6   36 o   2.3350   0.8332   2.3430   1.1820   2.3280   1.1750 0.1550000E-01 1.666000 
1 1 1    0    6   37 o   2.3240   1.2030   2.3240   1.2030  ?   ?       ?      ? 
1 1 1    0    8    0 o  116.300   1.0390  116.300   1.4690  116.300   1.4700 -0.5803000E-01 2.078000 
1 1 1    0    8    1 o   64.550   0.4143   64.960   0.5892   64.140   0.5826 0.8124000 0.8286000 
1 1 1    0    8    2 o  127.200   0.8020  127.100   1.1330  127.300   1.1360 -0.2492000 1.604000 
1 1 1    0    8    3 o   68.100   0.4368   68.160   0.6180   68.030   0.6175 0.1284000 0.8736000 
1 1 1    0    8    4 o   70.730   0.5241   70.390   0.7376   71.080   0.7447 -0.6894000 1.048000 
1 1 1    0    8    5 o   25.800   0.3352   25.170   0.4765   26.440   0.4715 -1.267000 0.6703000 
1 1 1    0    8    6 f   41.040   0.4064   41.220   0.5785   40.850   0.5711 0.3692000 0.8129000 
1 1 1    0    8    7 o   13.460   0.3173   13.840   0.4358   13.090   0.4612 0.7481000 0.6345000 
1 1 1    0    8    8 o   8.1510   0.5164   8.8140   0.6535   7.4880   0.7997 1.326000 1.033000 
1 1 1    0    8    9 o   59.830   0.3913   60.390   0.5580   59.260   0.5488 1.133000 0.7826000 
1 1 1    0    8   10 o   28.030   0.2524   28.050   0.3550   28.010   0.3590 0.4353000E-01 0.5049000 
1 1 1    0    8   11 o   8.9320   0.5295   9.7070   0.6845   8.1560   0.8080 1.550000 1.059000 
1 1 1    0    8   12 o   46.700   0.3269   47.000   0.4647   46.400   0.4598 0.5991000 0.6538000 
1 1 1    0    8   13 o   42.470   0.3120   42.630   0.4413   42.300   0.4411 0.3267000 0.6239000 
1 1 1    0    8   14 o   62.470   0.4161   62.500   0.5874   62.440   0.5895 0.5727000E-01 0.8322000 
1 1 1    0    8   15 o   33.870   0.3016   34.100   0.4244   33.640   0.4287 0.4582000 0.6033000 
1 1 1    0    8   16 o   69.110   0.5306   68.640   0.7453   69.570   0.7553 -0.9324000 1.061000 
1 1 1    0    8   17 o   31.430   0.6639  ?   ?    31.430   0.6639      ?      ? 
1 1 1    0    8   18 o   28.960   0.3489   28.570   0.4794   29.350   0.5071 -0.7823000 0.6978000 
1 1 1    0    8   19 o   4.0320   1.1370   2.9030   1.3700   5.1620   1.8140 -2.258000 2.273000 
1 1 1    0    8   20 o   5.8550   1.0630   7.9490   1.3640   3.7610   1.6320 4.188000 2.127000 
1 1 1    0    8   21 o   4.0450   1.1690   3.2940   1.4800   4.7950   1.8090 -1.501000 2.338000 
1 1 1    0    8   22 o   12.180   1.0220   13.730   1.1050   10.630   1.7200 3.104000 2.045000 
1 1 1    0    8   23 o   4.7080   1.1280   3.5020   1.5030   5.9140   1.6830 -2.413000 2.256000 
1 1 1    0    8   24 o   5.9910   1.1140   6.8550   1.4020   5.1260   1.7300 1.729000 2.227000 
1 1 1    0    8   25 o   16.910   0.4372   16.720   0.5988   17.100   0.6370 -0.3819000 0.8743000 
1 1 1    0    8   26 o   4.6700   1.1660   5.1000   1.6290   4.2400   1.6690 0.8597000 2.332000 
1 1 1    0    8   27 f   11.360   0.6328   11.010   0.8835   11.710   0.9063 -0.7092000 1.266000 
1 1 1    0    8   28 o   10.900   0.6737   11.060   0.8781   10.730   1.0220 0.3332000 1.347000 
1 1 1    0    8   29 o   4.5930   1.1900   5.2770   1.6970   3.9090   1.6690 1.368000 2.381000 
1 1 1    0    8   30 o   8.1670   1.3410   7.9060   1.8960   8.4280   1.8970 -0.5220000 2.682000 
1 1 1    0    8   31 o   5.5450   1.2870   4.4440   1.7680   6.6460   1.8720 -2.202000 2.574000 
1 1 1    0    8   32 o   5.6000   1.2840   6.7570   1.8220   4.4430   1.8090 2.313000 2.568000 
1 1 1    0    8   33 o   4.2220   1.2310   5.2840   1.9370   3.1610   1.5200 2.123000 2.462000 
1 1 1    0    8   34 f   3.3950   1.1830   3.5360   1.7220   3.2530   1.6220 0.2824000 2.366000 
1 1 1    0    8   35 o   2.4580   0.8816   2.3880   1.2150   2.5270   1.2780 -0.1389000 1.763000 
1 1 1    0    8   36 o   2.2890   0.8198   2.1070   1.0740   2.4710   1.2390 -0.3645000 1.640000 
1 1 1    0   10    0 o  100.800   1.2920  102.100   1.8510   99.420   1.8020 2.697000 2.583000 
1 1 1    0   10    1 o   58.810   0.5420   58.460   0.7624   59.170   0.7705 -0.7091000 1.084000 
1 1 1    0   10    2 o   40.060   0.3997   40.670   0.5713   39.460   0.5592 1.215000 0.7994000 
1 1 1    0   10    3 o   54.460   0.3609   54.780   0.5130   54.130   0.5077 0.6487000 0.7218000 
1 1 1    0   10    4 o   28.780   0.2523   28.510   0.3548   29.060   0.3589 -0.5530000 0.5047000 
1 1 1    0   10    5 o   39.580   0.2872   39.690   0.4065   39.470   0.4057 0.2183000 0.5743000 
1 1 1    0   10    6 o   16.040   0.3359   15.650   0.4512   16.440   0.4976 -0.7900000 0.6717000 
1 1 1    0   10    7 o   24.020   0.2643   24.170   0.3727   23.860   0.3748 0.3159000 0.5286000 
1 1 1    0   10    8 o   15.950   0.3316   16.380   0.4545   15.520   0.4831 0.8698000 0.6633000 
1 1 1    0   10    9 o   30.220   0.2882   30.780   0.4308   29.660   0.3830 1.117000 0.5764000 
1 1 1    0   10   10 f   22.130   0.2876   21.850   0.4011   22.410   0.4122 -0.5571000 0.5751000 
1 1 1    0   10   11 o   14.670   0.3897   14.770   0.5343   14.580   0.5675 0.1893000 0.7795000 
1 1 1    0   10   12 o   22.420   0.3189   22.660   0.4413   22.170   0.4606 0.4890000 0.6379000 
1 1 1    0   10   13 f   47.390   0.3445   47.630   0.4861   47.150   0.4883 0.4794000 0.6890000 
1 1 1    0   10   14 o   52.790   0.3717   52.840   0.5244   52.750   0.5268 0.8865000E-01 0.7433000 
1 1 1    0   10   15 f   55.040   0.5577   56.500   0.7837   53.570   0.7936 2.921000 1.115000 
1 1 1    0   10   16 o   46.900   0.5023   47.300   0.7127   46.490   0.7081 0.8099000 1.005000 
1 1 1    0   10   17 o   17.070   0.4926   17.190   0.6695   16.940   0.7227 0.2543000 0.9852000 
1 1 1    0   10   18 o   21.400   0.4110   21.630   0.5612   21.170   0.6006 0.4662000 0.8220000 
1 1 1    0   10   19 o   4.6140   1.2080   5.2710   1.7400   3.9580   1.6760 1.313000 2.416000 
1 1 1    0   10   20 o   29.190   0.3476   29.280   0.4813   29.110   0.5017 0.1636000 0.6952000 
1 1 1    0   10   21 o   20.780   0.6030   20.300   0.8079   21.260   0.8955 -0.9628000 1.206000 
1 1 1    0   10   22 o   27.820   0.3891   27.470   0.5626   28.160   0.5378 -0.6838000 0.7783000 
1 1 1    0   10   23 o   12.530   0.5832   12.640   0.7784   12.420   0.8686 0.2264000 1.166000 
1 1 1    0   10   24 o   4.3910   1.1260   5.1660   1.6250   3.6160   1.5590 1.550000 2.252000 
1 1 1    0   10   25 o   4.8710   1.0950   6.1250   1.5410   3.6170   1.5570 2.508000 2.191000 
1 1 1    0   10   26 o   7.5260   0.9689   7.6700   1.2580   7.3820   1.4740 0.2879000 1.938000 
1 1 1    0   10   27 o   7.6360   0.9730   7.0560   1.4250   8.2170   1.3250 -1.161000 1.946000 
1 1 1    0   10   28 o   12.440   0.6260   12.080   0.8486   12.800   0.9206 -0.7213000 1.252000 
1 1 1    0   10   29 o   4.7300   1.3310   4.2350   1.7830   5.2240   1.9780 -0.9893000 2.663000 
1 1 1    0   10   30 o   4.0590   1.2240   4.4240   1.7820   3.6940   1.6790 0.7298000 2.449000 
1 1 1    0   10   31 o   3.6910   1.1660   3.7170   1.6300   3.6650   1.6660 0.5238000E-01 2.331000 
1 1 1    0   10   32 o   5.2270   1.2840   6.6120   1.8940   3.8420   1.7340 2.770000 2.567000 
1 1 1    0   10   33 o   3.2800   1.1190   3.5140   1.6580   3.0470   1.5040 0.4672000 2.239000 
1 1 1    0   10   34 o   3.8070   1.2910   4.1490   1.9330   3.4650   1.7140 0.6839000 2.583000 
1 1 1    0   10   35 o   3.0080   1.0250   2.9200   1.4200   3.0960   1.4800 -0.1760000 2.051000 
1 1 1    0   10   36 o   2.3260   1.1830   2.3260   1.1830  ?   ?       ?      ? 
1 1 1    0   12    0 o   54.580   0.5145   54.610   0.7281   54.560   0.7272 0.4583000E-01 1.029000 
1 1 1    0   12    1 o   35.410   0.2743   35.270   0.3876   35.560   0.3883 -0.2826000 0.5487000 
1 1 1    0   12    2 o   28.800   0.2633   28.940   0.3722   28.660   0.3726 0.2791000 0.5267000 
1 1 1    0   12    3 o   31.190   0.2883   32.040   0.3807   30.350   0.4331 1.687000 0.5767000 
1 1 1    0   12    4 o   36.860   0.2840   36.740   0.4000   36.980   0.4033 -0.2376000 0.5680000 
1 1 1    0   12    5 o   39.720   0.2974   39.610   0.4180   39.830   0.4232 -0.2116000 0.5948000 
1 1 1    0   12    6 o   68.300   0.4463   68.260   0.6304   68.350   0.6318 -0.9358000E-01 0.8925000 
1 1 1    0   12    7 o   53.330   0.3934   53.780   0.5970   52.880   0.5127 0.9002000 0.7869000 
1 1 1    0   12    8 o   40.570   0.3095   40.360   0.4370   40.780   0.4382 -0.4158000 0.6189000 
1 1 1    0   12    9 o   27.280   0.2967   27.630   0.4145   26.940   0.4247 0.6899000 0.5934000 
1 1 1    0   12   10 o   48.470   0.3481   48.440   0.4902   48.490   0.4943 -0.5235000E-01 0.6962000 
1 1 1    0   12   11 o   68.130   0.4512   68.370   0.6392   67.880   0.6369 0.4932000 0.9023000 
1 1 1    0   12   12 o   66.670   0.4447   66.520   0.6264   66.820   0.6314 -0.2957000 0.8894000 
1 1 1    0   12   13 o   26.010   0.4188   26.510   0.5867   25.500   0.5980 1.012000 0.8377000 
1 1 1    0   12   14 o   27.040   0.4878   26.880   0.6849   27.200   0.6949 -0.3208000 0.9757000 
1 1 1    0   12   15 o   20.890   0.4622   21.660   0.6150   20.120   0.6900 1.537000 0.9243000 
1 1 1    0   12   16 o   47.880   0.3699   48.020   0.5245   47.730   0.5218 0.2958000 0.7399000 
1 1 1    0   12   17 o   4.6650   1.2210   5.4390   1.7730   3.8910   1.6800 1.548000 2.443000 
1 1 1    0   12   18 o   23.980   0.3910   24.050   0.5312   23.920   0.5739 0.1359000 0.7820000 
1 1 1    0   12   19 o   8.0120   1.1880   8.6570   1.4600   7.3660   1.8760 1.291000 2.377000 
1 1 1    0   12   20 o   9.5530   1.2160   9.8360   1.5170   9.2700   1.8990 0.5659000 2.431000 
1 1 1    0   12   21 o   19.480   0.4769   20.140   0.6361   18.810   0.7106 1.325000 0.9537000 
1 1 1    0   12   22 o   10.570   0.7167   9.5660   1.0410   11.570   0.9854 -2.001000 1.433000 
1 1 1    0   12   23 o   9.9180   0.7386   9.2320   1.0730   10.600   1.0150 -1.371000 1.477000 
1 1 1    0   12   24 o   10.470   0.6887   9.7830   0.9985   11.160   0.9489 -1.381000 1.377000 
1 1 1    0   12   25 f   11.100   0.6670   11.290   0.8715   10.910   1.0100 0.3838000 1.334000 
1 1 1    0   12   26 o   11.340   0.6640   9.8330   1.0180   12.850   0.8531 -3.016000 1.328000 
1 1 1    0   12   27 o   4.9050   1.2340   5.1480   1.7130   4.6610   1.7770 0.4877000 2.468000 
1 1 1    0   12   28 o   9.7570   0.9979   10.280   1.3390   9.2360   1.4800 1.042000 1.996000 
1 1 1    0   12   29 o   5.3480   1.3230   5.9270   1.8530   4.7680   1.8880 1.159000 2.645000 
1 1 1    0   12   30 o   3.7980   1.1690   4.2160   1.7350   3.3810   1.5670 0.8354000 2.338000 
1 1 1    0   12   31 o   6.7400   1.1600   4.1650   1.7680   9.3160   1.5010 -5.151000 2.319000 
1 1 1    0   12   32 o   6.9960   1.1470   4.1540   1.7770   9.8380   1.4500 -5.684000 2.293000 
1 1 1    0   12   33 o   5.0940   1.5100   5.7020   2.2080   4.4860   2.0590 1.216000 3.019000 
1 1 1    0   12   34 o   2.6860   0.9409   2.6230   1.3030   2.7500   1.3570 -0.1266000 1.882000 
1 1 1    0   12   35 o   2.8640   0.9840   3.2710   1.5390   2.4570   1.2270 0.8131000 1.968000 
1 1 1    0   14    0 o   13.910   0.6004   13.890   0.8537   13.930   0.8443 -0.4007000E-01 1.201000 
1 1 1    0   14    1 o   68.600   0.4476   68.880   0.6355   68.320   0.6306 0.5573000 0.8952000 
1 1 1    0   14    2 o   56.890   0.3825   57.530   0.5463   56.240   0.5355 1.298000 0.7650000 
1 1 1    0   14    3 o   34.580   0.2924   34.950   0.4163   34.210   0.4106 0.7433000 0.5848000 
1 1 1    0   14    4 o   40.600   0.3135   40.900   0.4433   40.300   0.4433 0.6001000 0.6269000 
1 1 1    0   14    5 o   20.440   0.3489   20.380   0.4880   20.510   0.4987 -0.1304000 0.6978000 
1 1 1    0   14    6 o   97.870   0.6256   97.740   0.8833   98.000   0.8863 -0.2559000 1.251000 
1 1 1    0   14    7 o   68.840   0.4552   68.790   0.6418   68.890   0.6457 -0.9422000E-01 0.9104000 
1 1 1    0   14    8 o   54.610   0.3815   54.700   0.5397   54.510   0.5392 0.1918000 0.7629000 
1 1 1    0   14    9 o   37.980   0.3241   38.060   0.4577   37.900   0.4590 0.1585000 0.6482000 
1 1 1    0   14   10 o   11.180   0.6656   11.340   0.9127   11.020   0.9691 0.3173000 1.331000 
1 1 1    0   14   11 o   74.270   0.5704   74.240   0.8059   74.300   0.8073 -0.6334000E-01 1.141000 
1 1 1    0   14   12 o   41.080   0.4822   40.940   0.6752   41.220   0.6888 -0.2868000 0.9645000 
1 1 1    0   14   13 o   27.610   0.4032   27.890   0.5567   27.330   0.5835 0.5645000 0.8065000 
1 1 1    0   14   14 o   26.960   0.3788   27.340   0.5201   26.580   0.5508 0.7526000 0.7576000 
1 1 1    0   14   15 o   49.660   0.3793   49.320   0.5311   49.990   0.5417 -0.6693000 0.7586000 
1 1 1    0   14   16 o   34.840   0.3558   34.770   0.4941   34.910   0.5122 -0.1386000 0.7117000 
1 1 1    0   14   17 o   26.060   0.3830   26.280   0.5236   25.840   0.5591 0.4421000 0.7660000 
1 1 1    0   14   18 o   21.440   0.5070   21.280   0.6816   21.600   0.7506 -0.3192000 1.014000 
1 1 1    0   14   19 o   29.900   0.4029   30.300   0.5735   29.510   0.5660 0.7840000 0.8058000 
1 1 1    0   14   20 o   33.460   0.3388   33.430   0.4724   33.480   0.4858 -0.4785000E-01 0.6776000 
1 1 1    0   14   21 o   4.7320   1.2040   4.6220   1.6770   4.8420   1.7290 -0.2201000 2.408000 
1 1 1    0   14   22 o   25.310   0.3801   24.720   0.4957   25.900   0.5765 -1.178000 0.7603000 
1 1 1    0   14   23 o   19.900   0.4182   19.960   0.5581   19.840   0.6230 0.1130000 0.8364000 
1 1 1    0   14   24 o   21.730   0.4351   20.810   0.6573   22.640   0.5704 -1.831000 0.8703000 
1 1 1    0   14   25 o   3.5920   1.1010   3.6020   1.5430   3.5820   1.5720 0.1997000E-01 2.203000 
1 1 1    0   14   26 o   4.0470   1.1770   4.2840   1.6760   3.8100   1.6530 0.4748000 2.354000 
1 1 1    0   14   27 o   8.7110   1.1710   9.2200   1.5060   8.2020   1.7940 1.018000 2.342000 
1 1 1    0   14   28 o   4.4000   1.2580   5.1060   1.8650   3.6930   1.6890 1.413000 2.516000 
1 1 1    0   14   29 o   9.1490   1.0040   9.2500   1.3280   9.0490   1.5060 0.2008000 2.008000 
1 1 1    0   14   30 o   5.6290   1.3730   5.7330   1.8620   5.5240   2.0180 0.2084000 2.745000 
1 1 1    0   14   31 o   6.0030   1.3870   5.8100   1.9460   6.1950   1.9750 -0.3845000 2.773000 
1 1 1    0   14   32 o   7.1720   1.3830   9.2060   1.7840   5.1380   2.1140 4.069000 2.766000 
1 1 1    0   14   33 f   2.8800   1.0080   2.9780   1.4640   2.7830   1.3850 0.1951000 2.016000 
1 1 1    0   14   34 o   2.4470   0.8669   2.4780   1.2380   2.4160   1.2140 0.6147000E-01 1.734000 
1 1 1    0   16    0 o   78.050   0.7188   77.900   1.0140   78.200   1.0190 -0.3073000 1.438000 
1 1 1    0   16    1 o   29.160   0.3174   29.000   0.4485   29.320   0.4493 -0.3246000 0.6348000 
1 1 1    0   16    2 o   74.640   0.4880   74.980   0.6928   74.300   0.6874 0.6771000 0.9760000 
1 1 1    0   16    3 o   36.730   0.3190   37.120   0.4527   36.340   0.4495 0.7785000 0.6380000 
1 1 1    0   16    4 o   31.880   0.3782   30.620   0.5232   33.140   0.5462 -2.514000 0.7564000 
1 1 1    0   16    5 o   44.700   0.3444   44.690   0.4842   44.710   0.4899 -0.1826000E-01 0.6888000 
1 1 1    0   16    6 o   37.410   0.3290   37.280   0.4592   37.530   0.4713 -0.2511000 0.6580000 
1 1 1    0   16    7 o   34.910   0.3914   35.060   0.5413   34.750   0.5655 0.3076000 0.7828000 
1 1 1    0   16    8 o   32.500   0.4819   32.510   0.6691   32.490   0.6937 0.2242000E-01 0.9638000 
1 1 1    0   16    9 o   49.910   0.5285   50.310   0.7476   49.520   0.7471 0.7883000 1.057000 
1 1 1    0   16   10 o   50.780   0.4347   51.120   0.6143   50.440   0.6153 0.6808000 0.8695000 
1 1 1    0   16   11 o   53.280   0.3961   53.250   0.5588   53.300   0.5615 -0.5173000E-01 0.7922000 
1 1 1    0   16   12 o   44.650   0.3681   44.310   0.5143   45.000   0.5268 -0.6912000 0.7363000 
1 1 1    0   16   13 o   41.150   0.3619   40.710   0.5022   41.590   0.5211 -0.8807000 0.7237000 
1 1 1    0   16   14 f   22.030   0.4376   21.530   0.6139   22.540   0.6236 -1.010000 0.8751000 
1 1 1    0   16   15 o   18.720   0.4896   18.650   0.6656   18.790   0.7181 -0.1489000 0.9791000 
1 1 1    0   16   16 o   21.100   0.5183   21.520   0.6858   20.670   0.7774 0.8502000 1.037000 
1 1 1    0   16   17 o   14.290   0.8302   14.210   1.0880   14.370   1.2540 -0.1528000 1.660000 
1 1 1    0   16   18 o   22.030   0.4546   21.260   0.6401   22.800   0.6456 -1.537000 0.9092000 
1 1 1    0   16   19 f   21.920   0.3968   22.280   0.5243   21.560   0.5957 0.7235000 0.7935000 
1 1 1    0   16   20 o   3.9490   1.1460   3.5050   1.5150   4.3920   1.7200 -0.8864000 2.292000 
1 1 1    0   16   21 o   7.3670   1.0500   6.5210   1.5320   8.2140   1.4360 -1.693000 2.099000 
1 1 1    0   16   22 o   5.6030   1.1540   4.1840   1.6280   7.0220   1.6370 -2.837000 2.309000 
1 1 1    0   16   23 f   4.8900   1.1440   6.0760   1.6140   3.7040   1.6220 2.373000 2.288000 
1 1 1    0   16   24 o   6.1830   1.1300   4.3860   1.6840   7.9800   1.5080 -3.594000 2.260000 
1 1 1    0   16   25 o   12.420   0.6688   12.320   0.9022   12.510   0.9874 -0.1859000 1.338000 
1 1 1    0   16   26 o   6.6600   1.3300   8.0150   1.7540   5.3040   2.0000 2.711000 2.660000 
1 1 1    0   16   27 o   3.6630   1.1710   3.3710   1.5680   3.9550   1.7380 -0.5838000 2.341000 
1 1 1    0   16   28 o   11.940   0.8012   12.150   1.0770   11.730   1.1870 0.4251000 1.602000 
1 1 1    0   16   29 o   6.0480   1.2210   3.7590   1.6690   8.3370   1.7830 -4.579000 2.443000 
1 1 1    0   16   30 o   7.1630   1.2340   4.9490   1.8850   9.3780   1.5940 -4.429000 2.469000 
1 1 1    0   16   31 o   3.3690   1.1480   3.0250   1.4780   3.7130   1.7560 -0.6882000 2.295000 
1 1 1    0   16   32 o   3.6840   1.2090   3.4910   1.6500   3.8760   1.7670 -0.3848000 2.418000 
1 1 1    0   16   33 f   2.8300   0.9792   2.9080   1.4130   2.7520   1.3560 0.1558000 1.958000 
1 1 1    0   18    0 o   39.570   0.6793   40.200   0.9956   38.940   0.9246 1.269000 1.359000 
1 1 1    0   18    1 o   28.050   0.5014   29.540   0.7312   26.550   0.6862 2.987000 1.003000 
1 1 1    0   18    2 f   20.920   0.6004   21.980   0.8673   19.860   0.8304 2.117000 1.201000 
1 1 1    0   18    3 o   24.700   0.5505   24.710   0.8182   24.680   0.7366 0.3097000E-01 1.101000 
1 1 1    0   18    4 o   26.720   0.5457   27.130   0.7650   26.320   0.7785 0.8183000 1.091000 
1 1 1    0   18    5 o   55.310   0.5648   55.490   0.7983   55.140   0.7992 0.3497000 1.130000 
1 1 1    0   18    6 o   55.210   0.5172   54.520   0.6427   55.900   0.8104 -1.375000 1.034000 
1 1 1    0   18    7 o   35.050   0.3825   34.990   0.5628   35.120   0.5181 -0.1250000 0.7649000 
1 1 1    0   18    8 o   42.630   0.3634   42.750   0.5042   42.510   0.5235 0.2436000 0.7268000 
1 1 1    0   18    9 o   13.800   0.6852   14.400   0.8687   13.200   1.0600 1.204000 1.370000 
1 1 1    0   18   10 o   14.220   0.6930   13.040   1.0520   15.390   0.9029 -2.358000 1.386000 
1 1 1    0   18   11 o   10.080   0.9316   9.0230   1.4230   11.130   1.2030 -2.110000 1.863000 
1 1 1    0   18   12 o   34.850   0.3643   34.810   0.5070   34.890   0.5232 -0.7858000E-01 0.7285000 
1 1 1    0   18   13 f   22.460   0.4853   21.910   0.6137   23.000   0.7520 -1.086000 0.9707000 
1 1 1    0   18   14 o   27.160   0.5378   27.360   0.7254   26.960   0.7941 0.3975000 1.076000 
1 1 1    0   18   15 o   5.9360   1.4000   5.6530   1.9390   6.2200   2.0210 -0.5669000 2.801000 
1 1 1    0   18   16 o   10.560   0.8206   11.600   0.9712   9.5210   1.3230 2.078000 1.641000 
1 1 1    0   18   17 o   7.6210   1.0480   6.2470   1.6320   8.9950   1.3160 -2.748000 2.097000 
1 1 1    0   18   18 o   12.090   0.6232   12.280   0.8375   11.890   0.9231 0.3834000 1.246000 
1 1 1    0   18   19 o   16.840   0.4804   17.250   0.6625   16.430   0.6960 0.8158000 0.9609000 
1 1 1    0   18   20 o   4.1860   1.1790   3.6040   1.5600   4.7680   1.7670 -1.164000 2.357000 
1 1 1    0   18   21 o   14.110   0.5606   13.900   0.7764   14.320   0.8089 -0.4217000 1.121000 
1 1 1    0   18   22 o   12.570   0.6676   12.450   0.9450   12.690   0.9433 -0.2406000 1.335000 
1 1 1    0   18   23 o   6.1100   1.2000   4.8230   1.7170   7.3970   1.6770 -2.574000 2.401000 
1 1 1    0   18   24 o   7.2880   1.3480   6.6930   1.9460   7.8840   1.8660 -1.191000 2.696000 
1 1 1    0   18   25 o   3.8290   1.2630   3.3790   1.6130   4.2780   1.9440 -0.8989000 2.526000 
1 1 1    0   18   26 o   4.8750   1.3400   5.1920   1.8990   4.5580   1.8920 0.6336000 2.680000 
1 1 1    0   18   27 o   9.6640   0.9997   10.300   1.2290   9.0310   1.5770 1.266000 1.999000 
1 1 1    0   18   28 o   7.7220   1.3150   6.7590   1.8490   8.6850   1.8710 -1.926000 2.630000 
1 1 1    0   18   29 o   9.3100   1.2530   8.5870   1.8630   10.030   1.6760 -1.445000 2.506000 
1 1 1    0   18   30 o   4.0240   1.3490   4.0120   1.8820   4.0360   1.9340 -0.2432000E-01 2.699000 
1 1 1    0   18   31 o   3.5100   1.1670   2.5410   1.2790   4.4780   1.9530 -1.937000 2.335000 
1 1 1    0   18   32 o   2.7990   0.9653   2.4130   1.2090   3.1840   1.5050 -0.7715000 1.931000 
1 1 1    0   20    0 o   36.100   0.5033   36.760   0.7169   35.430   0.7065 1.335000 1.007000 
1 1 1    0   20    1 o   15.910   0.5750   15.620   0.8337   16.190   0.7921 -0.5688000 1.150000 
1 1 1    0   20    2 o   16.970   0.5407   16.550   0.7870   17.390   0.7417 -0.8397000 1.081000 
1 1 1    0   20    3 o   57.760   0.4426   58.760   0.5884   56.760   0.6614 1.994000 0.8853000 
1 1 1    0   20    4 o   38.570   0.3602   38.520   0.5033   38.610   0.5156 -0.8640000E-01 0.7205000 
1 1 1    0   20    5 o   18.090   0.5229   17.480   0.7402   18.690   0.7388 -1.210000 1.046000 
1 1 1    0   20    6 f   14.590   0.6298   13.880   0.8968   15.300   0.8845 -1.415000 1.260000 
1 1 1    0   20    7 o   17.720   0.5289   17.110   0.7453   18.320   0.7505 -1.212000 1.058000 
1 1 1    0   20    8 o   12.390   0.7225   12.480   0.9704   12.300   1.0710 0.1738000 1.445000 
1 1 1    0   20    9 o   10.210   0.8620   10.320   1.1350   10.110   1.2980 0.2112000 1.724000 
1 1 1    0   20   10 o   17.940   0.5909   18.320   0.7299   17.570   0.9294 0.7502000 1.182000 
1 1 1    0   20   11 f   5.0670   1.4360   4.1090   1.8040   6.0260   2.2340 -1.917000 2.872000 
1 1 1    0   20   12 o   18.500   0.6937   18.760   0.9198   18.230   1.0390 0.5309000 1.387000 
1 1 1    0   20   13 o   14.000   0.7039   13.490   1.0080   14.520   0.9827 -1.032000 1.408000 
1 1 1    0   20   14 o   5.8300   1.2200   6.9420   1.6490   4.7180   1.7980 2.223000 2.440000 
1 1 1    0   20   15 o   7.6670   1.0810   6.4810   1.6510   8.8530   1.3960 -2.373000 2.163000 
1 1 1    0   20   16 o   2.8760   0.9658   3.0750   1.4250   2.6760   1.3040 0.3993000 1.932000 
1 1 1    0   20   17 o   22.250   0.3994   22.270   0.5437   22.230   0.5851 0.3829000E-01 0.7987000 
1 1 1    0   20   18 o   9.4090   0.8547   9.1880   1.2020   9.6300   1.2160 -0.4415000 1.709000 
1 1 1    0   20   19 o   22.440   0.4581   21.210   0.5882   23.660   0.7026 -2.453000 0.9163000 
1 1 1    0   20   20 o   11.100   0.7274   10.180   1.0730   12.030   0.9818 -1.846000 1.455000 
1 1 1    0   20   21 o   17.240   0.5065   17.480   0.6744   17.010   0.7558 0.4698000 1.013000 
1 1 1    0   20   22 o   7.3010   1.1940   7.0270   1.6500   7.5760   1.7260 -0.5489000 2.388000 
1 1 1    0   20   23 o   4.5790   1.3540   4.8650   1.9610   4.2920   1.8690 0.5736000 2.709000 
1 1 1    0   20   24 o   4.2280   1.2630   3.2740   1.5330   5.1810   2.0060 -1.908000 2.525000 
1 1 1    0   20   25 o   3.9370   1.2170   3.8180   1.6710   4.0550   1.7700 -0.2373000 2.434000 
1 1 1    0   20   26 o   3.2550   1.0840   3.2500   1.5190   3.2610   1.5470 -0.1052000E-01 2.169000 
1 1 1    0   20   27 o   4.0690   1.2120   3.0650   1.4680   5.0740   1.9300 -2.009000 2.425000 
1 1 1    0   20   28 o   3.7190   1.2100   4.1080   1.8080   3.3300   1.6090 0.7784000 2.421000 
1 1 1    0   20   29 o   2.6830   0.9519   2.6790   1.3400   2.6870   1.3520 -0.8295000E-02 1.904000 
1 1 1    0   20   30 o   3.3690   1.1060   3.4600   1.5850   3.2780   1.5440 0.1828000 2.213000 
1 1 1    0   22    0 o   41.620   0.7054  ?   ?    41.620   0.7054      ?      ? 
1 1 1    0   22    1 o   40.510   0.3482   40.610   0.4892   40.400   0.4957 0.2057000 0.6964000 
1 1 1    0   22    2 o   19.090   0.4647   19.550   0.6359   18.620   0.6778 0.9309000 0.9294000 
1 1 1    0   22    3 o   31.220   0.3878   30.970   0.5862   31.470   0.5078 -0.5078000 0.7755000 
1 1 1    0   22    4 o   34.430   0.4145   34.610   0.5514   34.250   0.6191 0.3538000 0.8291000 
1 1 1    0   22    5 o   16.150   0.7629   15.860   0.9978   16.440   1.1540 -0.5820000 1.526000 
1 1 1    0   22    6 o   27.960   0.5114   26.970   0.6901   28.960   0.7549 -1.998000 1.023000 
1 1 1    0   22    7 o   31.990   0.4889   31.020   0.6566   32.950   0.7246 -1.933000 0.9778000 
1 1 1    0   22    8 o   7.1600   1.2820   7.4440   1.7000   6.8760   1.9190 0.5677000 2.564000 
1 1 1    0   22    9 o   16.040   0.5969   16.780   0.7509   15.300   0.9280 1.486000 1.194000 
1 1 1    0   22   10 o   17.020   0.4933   17.090   0.6461   16.960   0.7457 0.1230000 0.9867000 
1 1 1    0   22   11 o   8.6760   0.9653   9.2940   1.1960   8.0580   1.5160 1.236000 1.931000 
1 1 1    0   22   12 o   15.330   0.5401   15.200   0.7314   15.450   0.7949 -0.2584000 1.080000 
1 1 1    0   22   13 o   17.340   0.4780   16.590   0.6675   18.090   0.6845 -1.503000 0.9560000 
1 1 1    0   22   14 o   9.3790   0.8951   9.5670   1.1890   9.1920   1.3390 0.3748000 1.790000 
1 1 1    0   22   15 o   13.950   0.6029   13.710   0.8228   14.190   0.8814 -0.4826000 1.206000 
1 1 1    0   22   16 o   16.040   0.5443   16.560   0.7215   15.520   0.8151 1.045000 1.089000 
1 1 1    0   22   17 o   10.050   0.8438   10.690   1.0640   9.4100   1.3100 1.281000 1.688000 
1 1 1    0   22   18 o   13.720   0.6273   13.700   0.8610   13.730   0.9125 -0.2221000E-01 1.255000 
1 1 1    0   22   19 o   8.7370   1.0510   11.170   1.0260   6.3010   1.8340 4.872000 2.102000 
1 1 1    0   22   20 o   7.6830   1.1550   7.6570   1.5620   7.7090   1.7010 -0.5265000E-01 2.309000 
1 1 1    0   22   21 o   4.5110   1.3490   4.2960   1.8710   4.7270   1.9430 -0.4305000 2.698000 
1 1 1    0   22   22 f   10.330   1.0080   10.030   1.3890   10.620   1.4620 -0.5876000 2.017000 
1 1 1    0   22   23 o   23.330   0.5080   22.590   0.6952   24.070   0.7409 -1.480000 1.016000 
1 1 1    0   22   24 o   4.2810   1.2510   3.2120   1.5190   5.3510   1.9880 -2.139000 2.502000 
1 1 1    0   22   25 o   3.2760   1.0860   3.7010   1.6580   2.8500   1.4040 0.8506000 2.172000 
1 1 1    0   22   26 o   3.9470   1.2560   4.5350   1.9220   3.3590   1.6190 1.176000 2.513000 
1 1 1    0   22   27 o   4.8260   1.4990   4.8740   2.0950   4.7780   2.1450 0.9612000E-01 2.999000 
1 1 1    0   22   28 o   2.6080   0.9275   2.7390   1.3650   2.4770   1.2560 0.2617000 1.855000 
1 1 1    0   22   29 o   3.0520   1.0330   3.0650   1.4570   3.0390   1.4640 0.2620000E-01 2.066000 
1 1 1    0   24    0 o   41.770   0.4883   41.500   0.6844   42.050   0.6967 -0.5494000 0.9766000 
1 1 1    0   24    1 o   36.130   0.3370   35.910   0.4734   36.360   0.4798 -0.4513000 0.6741000 
1 1 1    0   24    2 o   19.860   0.4226   19.750   0.5940   19.970   0.6012 -0.2181000 0.8452000 
1 1 1    0   24    3 o   21.860   0.3990   21.980   0.5522   21.750   0.5761 0.2277000 0.7980000 
1 1 1    0   24    4 o   15.880   0.5471   17.100   0.6687   14.650   0.8662 2.455000 1.094000 
1 1 1    0   24    5 o   23.810   0.3948   23.480   0.5327   24.150   0.5830 -0.6695000 0.7897000 
1 1 1    0   24    6 o   37.330   0.3486   36.680   0.4785   37.980   0.5072 -1.298000 0.6973000 
1 1 1    0   24    7 o   8.4920   1.0120   9.8100   1.1150   7.1740   1.6900 2.635000 2.025000 
1 1 1    0   24    8 f   8.8120   0.9419   9.4760   1.1570   8.1480   1.4870 1.328000 1.884000 
1 1 1    0   24    9 o   8.9730   0.9127   9.2830   1.1810   8.6630   1.3920 0.6203000 1.825000 
1 1 1    0   24   10 o   10.880   0.7509   10.610   1.0140   11.150   1.1080 -0.5485000 1.502000 
1 1 1    0   24   11 o   7.0420   1.0810   9.0310   1.1870   5.0530   1.8070 3.978000 2.163000 
1 1 1    0   24   12 o   8.8990   0.9464   9.1050   1.2240   8.6930   1.4440 0.4122000 1.893000 
1 1 1    0   24   13 o   11.010   0.7641   11.140   1.0160   10.880   1.1420 0.2620000 1.528000 
1 1 1    0   24   14 o   16.540   0.5313   16.640   0.7088   16.450   0.7917 0.1913000 1.063000 
1 1 1    0   24   15 o   5.2070   1.2860   4.9240   1.7450   5.4900   1.8890 -0.5653000 2.572000 
1 1 1    0   24   16 o   11.800   0.7707   12.120   1.0260   11.480   1.1510 0.6392000 1.541000 
1 1 1    0   24   17 o   17.140   0.5308   16.420   0.7418   17.850   0.7594 -1.436000 1.062000 
1 1 1    0   24   18 o   10.670   1.1230   10.070   1.6720   11.270   1.5010 -1.198000 2.246000 
1 1 1    0   24   19 o   8.4500   1.4800   8.3100   2.0210   8.5900   2.1640 -0.2803000 2.961000 
1 1 1    0   24   20 o   3.5940   1.1740   3.6670   1.6700   3.5210   1.6500 0.1461000 2.348000 
1 1 1    0   24   21 o   4.1830   1.2580   3.7610   1.6790   4.6060   1.8750 -0.8458000 2.516000 
1 1 1    0   24   22 o   10.620   1.0010   12.220   1.1110   9.0270   1.6640 3.190000 2.001000 
1 1 1    0   24   23 o   3.1810   1.0750   3.2770   1.5500   3.0850   1.4900 0.1912000 2.150000 
1 1 1    0   24   24 o   4.4220   1.2880   5.7720   2.0850   3.0710   1.5110 2.701000 2.575000 
1 1 1    0   24   25 o   4.2230   1.3130   3.6620   1.6930   4.7840   2.0060 -1.122000 2.625000 
1 1 1    0   24   26 o   2.8370   0.9965   3.0770   1.5020   2.5980   1.3100 0.4788000 1.993000 
1 1 1    0   24   27 o   2.9590   1.0080   3.0940   1.4700   2.8240   1.3790 0.2707000 2.016000 
1 1 1    0   26    0 o   25.220   0.5244   24.760   0.7350   25.680   0.7481 -0.9252000 1.049000 
1 1 1    0   26    1 o   16.830   0.4832   17.080   0.6594   16.590   0.7066 0.4879000 0.9664000 
1 1 1    0   26    2 o   10.170   0.7863   9.0170   1.2070   11.330   1.0080 -2.314000 1.573000 
1 1 1    0   26    3 o   11.810   0.6760   11.710   0.9379   11.900   0.9738 -0.1871000 1.352000 
1 1 1    0   26    4 o   12.510   0.6700   12.220   0.9114   12.800   0.9823 -0.5799000 1.340000 
1 1 1    0   26    5 f   27.250   0.3779   27.110   0.5147   27.390   0.5536 -0.2833000 0.7559000 
1 1 1    0   26    6 o   4.0690   1.2020   4.1460   1.6860   3.9920   1.7140 0.1547000 2.404000 
1 1 1    0   26    7 o   8.7040   0.9744   8.6080   1.3140   8.8000   1.4390 -0.1929000 1.949000 
1 1 1    0   26    8 o   3.5440   1.1220   3.5680   1.5760   3.5190   1.5980 0.4902000E-01 2.244000 
1 1 1    0   26    9 o   14.750   0.5876   15.020   0.7748   14.480   0.8837 0.5390000 1.175000 
1 1 1    0   26   10 o   18.910   0.4779   19.580   0.6243   18.240   0.7238 1.342000 0.9558000 
1 1 1    0   26   11 o   18.100   0.5039   18.230   0.6706   17.970   0.7523 0.2588000 1.008000 
1 1 1    0   26   12 o   15.120   0.5884   14.210   0.8277   16.020   0.8366 -1.815000 1.177000 
1 1 1    0   26   13 o   11.640   0.7579   11.230   1.0590   12.060   1.0840 -0.8289000 1.516000 
1 1 1    0   26   14 o   3.8450   1.1790   4.0780   1.6970   3.6130   1.6360 0.4655000 2.357000 
1 1 1    0   26   15 o   4.4830   1.3340   4.8840   1.9390   4.0820   1.8330 0.8022000 2.668000 
1 1 1    0   26   16 o   5.4580   1.4850   4.0650   1.8860   6.8500   2.2940 -2.785000 2.970000 
1 1 1    0   26   17 o   7.2810   1.3770   7.9220   1.8560   6.6390   2.0360 1.283000 2.755000 
1 1 1    0   26   18 o   5.2190   1.3890   5.2950   1.9650   5.1420   1.9630 0.1524000 2.778000 
1 1 1    0   26   19 o   7.2680   1.2830   8.6810   1.6190   5.8540   1.9910 2.827000 2.566000 
1 1 1    0   26   20 o   5.2010   1.3700   5.5350   1.9580   4.8670   1.9150 0.6680000 2.739000 
1 1 1    0   26   21 o   3.4830   1.1480   3.4610   1.6160   3.5050   1.6320 -0.4387000E-01 2.297000 
1 1 1    0   26   22 o   3.9920   1.2400   5.0860   2.0200   2.8990   1.4390 2.186000 2.480000 
1 1 1    0   26   23 o   3.4140   1.1800   2.9030   1.4560   3.9240   1.8570 -1.021000 2.360000 
1 1 1    0   26   24 o   3.4390   1.1460   3.9250   1.7710   2.9530   1.4560 0.9726000 2.293000 
1 1 1    0   26   25 o   2.5420   0.8945   2.7820   1.3590   2.3020   1.1640 0.4798000 1.789000 
1 1 1    0   28    0 o   12.230   0.9824   12.090   1.3730   12.370   1.4050 -0.2800000 1.965000 
1 1 1    0   28    1 f   16.350   0.5201   15.620   0.7546   17.070   0.7160 -1.456000 1.040000 
1 1 1    0   28    2 o   18.030   0.4840   18.730   0.6522   17.320   0.7153 1.409000 0.9680000 
1 1 1    0   28    3 o   5.2950   1.2630   5.8690   1.7770   4.7210   1.7950 1.148000 2.526000 
1 1 1    0   28    4 o   10.190   0.8708   11.100   1.0490   9.2750   1.3900 1.827000 1.742000 
1 1 1    0   28    5 o   8.1710   1.0930   7.7480   1.5320   8.5940   1.5600 -0.8460000 2.187000 
1 1 1    0   28    6 o   4.3860   1.2210   5.0740   1.7920   3.6970   1.6580 1.378000 2.441000 
1 1 1    0   28    7 o   16.830   0.5362   16.480   0.7320   17.180   0.7838 -0.6957000 1.072000 
1 1 1    0   28    8 o   9.1180   0.9936   9.5190   1.2490   8.7170   1.5450 0.8021000 1.987000 
1 1 1    0   28    9 o   12.360   0.7264   12.530   0.9570   12.190   1.0930 0.3469000 1.453000 
1 1 1    0   28   10 o   7.3340   1.3610   8.3370   1.7290   6.3310   2.1030 2.006000 2.722000 
1 1 1    0   28   11 o   17.050   0.6606   17.650   0.8611   16.450   1.0020 1.205000 1.321000 
1 1 1    0   28   12 o   6.4610   1.5920   6.5560   2.2360   6.3650   2.2660 0.1904000 3.184000 
1 1 1    0   28   13 o   6.4500   1.3780   7.8600   1.9290   5.0400   1.9680 2.820000 2.756000 
1 1 1    0   28   14 o   4.7490   1.3110   3.5390   1.6590   5.9580   2.0320 -2.420000 2.623000 
1 1 1    0   28   15 o   7.4810   1.2800   7.5650   1.7450   7.3970   1.8730 0.1684000 2.560000 
1 1 1    0   28   16 o   6.1340   1.3600   7.1080   1.8790   5.1590   1.9670 1.948000 2.720000 
1 1 1    0   28   17 o   3.5210   1.1510   3.3080   1.5570   3.7350   1.6960 -0.4267000 2.303000 
1 1 1    0   28   18 f   3.4290   1.1250   2.8010   1.3730   4.0580   1.7820 -1.257000 2.249000 
1 1 1    0   28   19 o   6.1490   1.4220   7.2730   1.9630   5.0250   2.0570 2.248000 2.844000 
1 1 1    0   28   20 o   3.0220   1.0470   2.9440   1.4450   3.1000   1.5150 -0.1558000 2.094000 
1 1 1    0   28   21 o   2.7220   0.9621   2.5760   1.2950   2.8680   1.4230 -0.2920000 1.924000 
1 1 1    0   28   22 o   2.6500   0.9400   2.3650   1.1990   2.9350   1.4480 -0.5700000 1.880000 
1 1 1    0   30    0 o   15.620   1.1850   15.020   1.7170   16.220   1.6340 -1.202000 2.370000 
1 1 1    0   30    1 o   10.810   1.1750   10.170   1.7660   11.450   1.5490 -1.286000 2.349000 
1 1 1    0   30    2 f   4.5420   1.3680   3.5320   1.6910   5.5530   2.1510 -2.022000 2.736000 
1 1 1    0   30    3 o   4.9710   1.4700   4.6380   2.0190   5.3050   2.1380 -0.6665000 2.940000 
1 1 1    0   30    4 o   6.3220   1.6200   5.9680   2.2210   6.6750   2.3590 -0.7075000 3.240000 
1 1 1    0   30    5 o   11.190   1.2240   10.600   1.7360   11.780   1.7260 -1.179000 2.448000 
1 1 1    0   30    6 o   6.0980   1.6130   6.4090   2.2530   5.7860   2.3090 0.6232000 3.226000 
1 1 1    0   30    7 o   7.4070   1.4820   6.0170   2.2650   8.7980   1.9100 -2.780000 2.963000 
1 1 1    0   30    8 o   5.2580   1.4010   4.6280   1.9050   5.8880   2.0550 -1.260000 2.802000 
1 1 1    0   30    9 o   4.9430   1.3320   4.6530   1.8440   5.2330   1.9220 -0.5798000 2.664000 
1 1 1    0   30   10 o   5.3250   1.2200   3.4300   1.5860   7.2200   1.8530 -3.790000 2.439000 
1 1 1    0   30   11 o   5.1850   1.3160   4.1620   1.7700   6.2070   1.9470 -2.046000 2.631000 
1 1 1    0   30   12 o   3.2470   1.0730   3.9380   1.7260   2.5560   1.2760 1.382000 2.146000 
1 1 1    0   30   13 o   3.4350   1.1310   3.5100   1.6180   3.3600   1.5810 0.1499000 2.262000 
1 1 1    0   30   14 o   4.6440   1.3310   4.4370   1.8240   4.8510   1.9380 -0.4148000 2.661000 
1 1 1    0   30   15 o   2.6940   0.9448   2.5650   1.2790   2.8240   1.3910 -0.2591000 1.890000 
1 1 1    0   30   16 o   4.3110   1.3000   5.1300   2.0010   3.4920   1.6590 1.638000 2.599000 
1 1 1    0   30   17 o   3.0430   1.0750   2.5260   1.2840   3.5600   1.7250 -1.034000 2.151000 
1 1 1    0   30   18 o   3.6110   1.1920   3.6220   1.6760   3.6000   1.6950 0.2155000E-01 2.383000 
1 1 1    0   30   19 o   3.0600   1.0530   3.0050   1.4600   3.1140   1.5160 -0.1087000 2.105000 
1 1 1    0   32    0 o   19.870   1.0480  ?   ?    19.870   1.0480      ?      ? 
1 1 1    0   32    1 o   6.0850   1.3580   6.5620   1.8800   5.6090   1.9610 0.9528000 2.716000 
1 1 1    0   32    2 o   4.3200   1.2800   4.1680   1.7680   4.4710   1.8510 -0.3030000 2.560000 
1 1 1    0   32    3 o   11.100   0.9443   10.250   1.2690   11.960   1.3980 -1.710000 1.889000 
1 1 1    0   32    4 o   17.400   0.5816   17.820   0.7703   16.980   0.8716 0.8414000 1.163000 
1 1 1    0   32    5 o   8.5880   1.1590   9.3310   1.4300   7.8460   1.8250 1.485000 2.319000 
1 1 1    0   32    6 o   4.4150   1.2740   4.9850   1.8760   3.8450   1.7250 1.140000 2.549000 
1 1 1    0   32    7 o   3.8490   1.2120   3.8880   1.7090   3.8100   1.7180 0.7884000E-01 2.423000 
1 1 1    0   32    8 o   3.5130   1.1440   3.0840   1.4730   3.9410   1.7510 -0.8571000 2.288000 
1 1 1    0   32    9 o   5.7050   1.3540   6.1190   1.8800   5.2900   1.9480 0.8292000 2.707000 
1 1 1    0   32   10 o   3.3940   1.0990   4.0590   1.7330   2.7300   1.3510 1.329000 2.198000 
1 1 1    0   32   11 o   4.2350   1.3090   4.3820   1.8670   4.0890   1.8360 0.2927000 2.619000 
1 1 1    0   32   12 o   4.6350   1.2470   2.8220   1.3930   6.4480   2.0680 -3.625000 2.494000 
1 1 1    0   32   13 o   3.4960   1.1920   4.2270   1.9340   2.7650   1.3920 1.463000 2.383000 
1 1 1    0   32   14 o   2.7410   0.9684   2.4850   1.2630   2.9970   1.4680 -0.5127000 1.937000 
1 1 1    0   32   15 o   2.2060   0.7985   2.1680   1.1150   2.2440   1.1430 -0.7594000E-01 1.597000 
1 1 1    0   34    0 o   3.0690   1.0990   3.1090   1.5740   3.0300   1.5360 0.7981000E-01 2.199000 
1 1 1    0   34    1 o   3.3190   1.1440   3.6920   1.7540   2.9450   1.4690 0.7468000 2.288000 
1 1 1    0   34    2 o   4.3870   1.3710   3.7270   1.7640   5.0470   2.0990 -1.320000 2.742000 
1 1 1    0   34    3 o   4.0280   1.3070   4.5270   1.9910   3.5290   1.6930 0.9983000 2.614000 
1 1 1    0   34    4 f   3.2290   1.1210   3.5770   1.7150   2.8810   1.4430 0.6967000 2.241000 
1 1 1    0   34    5 o   2.8700   1.0180   2.4240   1.2370   3.3160   1.6170 -0.8922000 2.036000 
1 1 1    0   34    6 o   2.8620   1.0130   3.1450   1.5480   2.5790   1.3080 0.5664000 2.027000 
1 1 1    0   34    7 o   2.2710   0.8266   2.2910   1.1830   2.2520   1.1540 0.3896000E-01 1.653000 
1 1 1    0   34    8 o   3.6100   1.2100   4.0970   1.8860   3.1230   1.5150 0.9744000 2.419000 
1 1 1    0   34    9 o   2.1440   0.7746   1.9320   0.9985   2.3560   1.1850 -0.4245000 1.549000 
1 1 1    1    1    1 o   46.210   0.2913   46.380   0.4136   46.040   0.4104 0.3469000 0.5827000 
1 1 1    1    1    2 o   93.530   0.5875   93.230   0.8284   93.840   0.8332 -0.6141000 1.175000 
1 1 1    1    1    3 o   81.250   0.5108   80.770   0.7183   81.740   0.7265 -0.9617000 1.022000 
1 1 1    1    1    4 o   47.720   0.4298   47.290   0.6020   48.160   0.6136 -0.8699000 0.8596000 
1 1 1    1    1    5 o   64.930   0.5810   64.740   0.8189   65.130   0.8245 -0.3926000 1.162000 
1 1 1    1    1    6 o   69.170   0.4375   69.480   0.6213   68.860   0.6160 0.6233000 0.8750000 
1 1 1    1    1    7 o  109.800   0.6906  110.500   0.9834  109.100   0.9700 1.421000 1.381000 
1 1 1    1    1    8 o  135.800   0.8541  136.000   1.2090  135.700   1.2060 0.3424000 1.708000 
1 1 1    1    1    9 o   32.300   0.2671   32.240   0.3737   32.360   0.3816 -0.1258000 0.5342000 
1 1 1    1    1   10 o   43.260   0.4098   43.390   0.5816   43.130   0.5776 0.2609000 0.8197000 
1 1 1    1    1   11 o   41.820   0.2839   41.940   0.4018   41.710   0.4012 0.2359000 0.5678000 
1 1 1    1    1   12 o   11.170   0.3295   11.150   0.4724   11.200   0.4595 -0.4955000E-01 0.6590000 
1 1 1    1    1   13 o   10.390   0.3708   10.820   0.4963   9.9560   0.5511 0.8609000 0.7417000 
1 1 1    1    1   14 o   37.940   0.2766   38.000   0.3906   37.880   0.3918 0.1233000 0.5532000 
1 1 1    1    1   15 o   41.430   0.2988   41.150   0.4209   41.700   0.4241 -0.5536000 0.5975000 
1 1 1    1    1   16 o   15.660   0.3630   15.330   0.5157   15.980   0.5111 -0.6561000 0.7261000 
1 1 1    1    1   17 o   69.830   0.4563   69.850   0.6451   69.820   0.6456 0.2208000E-01 0.9127000 
1 1 1    1    1   18 o   44.950   0.4602   45.280   0.6523   44.620   0.6493 0.6511000 0.9204000 
1 1 1    1    1   19 o   22.100   0.4893   22.100   0.6876   22.090   0.6963 0.4143000E-02 0.9786000 
1 1 1    1    1   20 o   17.740   0.4380   17.670   0.6191   17.810   0.6198 -0.1391000 0.8760000 
1 1 1    1    1   21 o   18.550   0.4192   18.610   0.5904   18.490   0.5954 0.1274000 0.8385000 
1 1 1    1    1   22 o   8.2800   0.9389   8.3530   1.3110   8.2080   1.3440 0.1450000 1.878000 
1 1 1    1    1   23 o   3.6310   1.2030   3.7520   1.7310   3.5090   1.6710 0.2427000 2.406000 
1 1 1    1    1   24 o   14.170   0.5388   14.410   0.7302   13.940   0.7926 0.4725000 1.078000 
1 1 1    1    1   25 o   13.300   0.5431   12.390   0.8046   14.200   0.7296 -1.808000 1.086000 
1 1 1    1    1   26 f   3.9390   1.0960   3.0480   1.4020   4.8290   1.6840 -1.781000 2.191000 
1 1 1    1    1   27 o   9.2960   0.7975   10.330   0.9839   8.2640   1.2550 2.064000 1.595000 
1 1 1    1    1   28 o   9.4130   0.7842   9.2770   1.1160   9.5480   1.1020 -0.2711000 1.568000 
1 1 1    1    1   29 f   8.3950   0.8938   8.1130   1.2920   8.6780   1.2360 -0.5656000 1.788000 
1 1 1    1    1   30 o   3.5450   1.0970   3.5930   1.5640   3.4980   1.5370 0.9411000E-01 2.193000 
1 1 1    1    1   31 o   6.9980   1.4520   7.2370   2.0550   6.7590   2.0510 0.4780000 2.903000 
1 1 1    1    1   32 o   3.8020   1.1600   4.1930   1.7130   3.4120   1.5640 0.7809000 2.319000 
1 1 1    1    1   33 o   4.7030   1.3070   4.2540   1.7920   5.1510   1.9020 -0.8974000 2.614000 
1 1 1    1    1   34 o   4.8020   1.3480   4.8490   1.9280   4.7540   1.8860 0.9525000E-01 2.697000 
1 1 1    1    1   35 o   5.8390   1.5380   4.0120   1.9030   7.6650   2.4150 -3.654000 3.075000 
1 1 1    1    1   36 o   3.0750   1.0490   2.9660   1.4460   3.1840   1.5200 -0.2176000 2.098000 
1 1 1    1    1   37 f   2.1660   0.7810   2.2980   1.1640   2.0340   1.0410 0.2642000 1.562000 
1 1 1    1    3    0 o   99.940   0.6279  100.500   0.8925   99.430   0.8833 1.021000 1.256000 
1 1 1    1    3    1 o   85.300   0.5368   85.430   0.7602   85.180   0.7580 0.2500000 1.074000 
1 1 1    1    3    2 o  112.700   0.7088  112.900   1.0040  112.500   1.0010 0.4270000 1.418000 
1 1 1    1    3    3 o  125.700   1.1220  125.900   1.5890  125.600   1.5850 0.2831000 2.244000 
1 1 1    1    3    4 o  133.300   1.1880  134.200   1.6920  132.300   1.6680 1.877000 2.376000 
1 1 1    1    3    5 o  108.400   0.6822  109.200   0.9718  107.600   0.9576 1.578000 1.364000 
1 1 1    1    3    6 o  123.500   0.7774  122.800   1.0930  124.300   1.1060 -1.451000 1.555000 
1 1 1    1    3    7 f   81.480   0.5581   82.720   0.8544   80.240   0.7183 2.487000 1.116000 
1 1 1    1    3    8 o   97.570   0.6159   97.450   0.8700   97.700   0.8721 -0.2502000 1.232000 
1 1 1    1    3    9 o   78.110   0.7035   78.700   1.0030   77.520   0.9869 1.182000 1.407000 
1 1 1    1    3   10 o   38.960   0.3114   38.920   0.4418   39.010   0.4390 -0.8566000E-01 0.6228000 
1 1 1    1    3   11 o   24.720   0.2237   24.930   0.3132   24.510   0.3195 0.4161000 0.4474000 
1 1 1    1    3   12 o   6.3510   0.6096   5.8120   0.9350   6.8910   0.7824 -1.079000 1.219000 
1 1 1    1    3   13 o   19.870   0.2482   19.830   0.3449   19.910   0.3570 -0.7725000E-01 0.4964000 
1 1 1    1    3   14 o   47.400   0.3238   47.770   0.4603   47.040   0.4555 0.7302000 0.6476000 
1 1 1    1    3   15 o   64.480   0.4212   64.620   0.5965   64.340   0.5948 0.2784000 0.8424000 
1 1 1    1    3   16 o   55.100   0.3733   54.920   0.5255   55.290   0.5304 -0.3708000 0.7466000 
1 1 1    1    3   17 o   46.160   0.3337   46.390   0.4733   45.920   0.4706 0.4703000 0.6674000 
1 1 1    1    3   18 o   65.870   0.6164   65.910   0.8696   65.830   0.8739 0.8710000E-01 1.233000 
1 1 1    1    3   19 o   20.960   0.4094   21.180   0.5609   20.730   0.5965 0.4490000 0.8187000 
1 1 1    1    3   20 o   20.160   0.4166   20.420   0.5764   19.900   0.6016 0.5265000 0.8332000 
1 1 1    1    3   21 o   10.680   0.7407   10.340   1.0560   11.020   1.0390 -0.6808000 1.481000 
1 1 1    1    3   22 o   21.250   0.4009   21.080   0.5571   21.410   0.5765 -0.3250000 0.8017000 
1 1 1    1    3   23 o   32.530   0.4776   32.810   0.6592   32.250   0.6912 0.5565000 0.9552000 
1 1 1    1    3   24 o   4.0170   1.1020   3.0750   1.4080   4.9590   1.6960 -1.884000 2.204000 
1 1 1    1    3   25 o   13.770   0.5402   14.740   0.6952   12.800   0.8269 1.942000 1.080000 
1 1 1    1    3   26 o   3.5840   1.0750   3.6700   1.5420   3.4980   1.4990 0.1721000 2.151000 
1 1 1    1    3   27 o   3.8530   1.1150   3.5100   1.5080   4.1970   1.6430 -0.6864000 2.231000 
1 1 1    1    3   28 o   6.2450   1.0400   4.3710   1.6410   8.1190   1.2760 -3.748000 2.079000 
1 1 1    1    3   29 o   5.1800   1.1740   4.7760   1.6460   5.5850   1.6750 -0.8091000 2.348000 
1 1 1    1    3   30 o   14.000   0.5705   14.390   0.7795   13.610   0.8332 0.7873000 1.141000 
1 1 1    1    3   31 o   3.6730   1.2050   3.0630   1.5000   4.2840   1.8870 -1.222000 2.411000 
1 1 1    1    3   32 o   6.6850   1.2310   7.9900   1.5880   5.3800   1.8810 2.610000 2.461000 
1 1 1    1    3   33 o   3.9960   1.2290   4.3190   1.8060   3.6740   1.6690 0.6457000 2.459000 
1 1 1    1    3   34 o   4.7250   1.3410   5.0310   1.9300   4.4190   1.8600 0.6115000 2.681000 
1 1 1    1    3   35 o   3.6030   1.2470   3.2300   1.6020   3.9750   1.9100 -0.7455000 2.493000 
1 1 1    1    3   36 o   2.7540   0.9627   2.6370   1.3130   2.8720   1.4080 -0.2356000 1.925000 
1 1 1    1    3   37 f   3.2090   1.0810   3.1820   1.5140   3.2350   1.5430 -0.5358000E-01 2.162000 
1 1 1    1    5    0 o   62.910   0.4623   63.490   0.6593   62.340   0.6484 1.152000 0.9247000 
1 1 1    1    5    1 o   37.280   0.2882   37.770   0.4115   36.800   0.4036 0.9756000 0.5764000 
1 1 1    1    5    2 o   80.920   0.5526   81.150   0.8373   80.690   0.7213 0.4593000 1.105000 
1 1 1    1    5    3 o   73.240   0.4647   73.470   0.6591   73.000   0.6553 0.4631000 0.9294000 
1 1 1    1    5    4 o   90.370   0.5705   90.860   0.8110   89.870   0.8026 0.9930000 1.141000 
1 1 1    1    5    5 o  141.300   0.8886  141.400   1.2570  141.200   1.2560 0.1719000 1.777000 
1 1 1    1    5    6 o   89.060   0.5631   89.620   0.8013   88.490   0.7915 1.127000 1.126000 
1 1 1    1    5    7 o   28.660   0.2240   28.370   0.3148   28.940   0.3188 -0.5707000 0.4481000 
1 1 1    1    5    8 o   32.670   0.3399   32.350   0.4810   32.990   0.4804 -0.6472000 0.6798000 
1 1 1    1    5    9 o   29.140   0.3246   29.050   0.4575   29.230   0.4607 -0.1777000 0.6493000 
1 1 1    1    5   10 o   6.1430   0.6413   7.6110   0.6452   4.6760   1.1090 2.934000 1.283000 
1 1 1    1    5   11 o   30.990   0.2440   31.160   0.3459   30.830   0.3443 0.3293000 0.4881000 
1 1 1    1    5   12 o   4.5550   0.8286   5.5200   1.0450   3.5890   1.2860 1.932000 1.657000 
1 1 1    1    5   13 o   70.400   0.4543   70.270   0.6410   70.530   0.6439 -0.2588000 0.9086000 
1 1 1    1    5   14 o   61.120   0.4016   61.260   0.5683   60.980   0.5675 0.2777000 0.8032000 
1 1 1    1    5   15 o   22.630   0.2952   22.610   0.4121   22.660   0.4227 -0.5306000E-01 0.5903000 
1 1 1    1    5   16 o   3.9030   1.0440   4.4830   1.5250   3.3230   1.4270 1.160000 2.088000 
1 1 1    1    5   17 o   9.7170   0.7943   9.1170   1.1750   10.320   1.0690 -1.200000 1.589000 
1 1 1    1    5   18 o   46.880   0.4896   47.260   0.6933   46.510   0.6914 0.7544000 0.9791000 
1 1 1    1    5   19 o   24.000   0.3742   23.600   0.5189   24.390   0.5392 -0.7937000 0.7483000 
1 1 1    1    5   20 o   14.570   0.5622   14.480   0.7682   14.660   0.8212 -0.1815000 1.124000 
1 1 1    1    5   21 o   14.440   0.5557   14.200   0.7555   14.670   0.8151 -0.4678000 1.111000 
1 1 1    1    5   22 o   44.220   0.3535   44.540   0.4946   43.900   0.5053 0.6318000 0.7071000 
1 1 1    1    5   23 o   5.7600   1.4680   5.9840   2.0790   5.5350   2.0730 0.4494000 2.936000 
1 1 1    1    5   24 o   11.580   0.6281   11.070   0.9031   12.100   0.8733 -1.027000 1.256000 
1 1 1    1    5   25 o   13.980   0.5180   13.500   0.7263   14.460   0.7386 -0.9575000 1.036000 
1 1 1    1    5   26 o   15.470   0.5146   15.260   0.6654   15.670   0.7852 -0.4044000 1.029000 
1 1 1    1    5   27 o   12.080   0.6090   12.290   0.8191   11.880   0.9014 0.4165000 1.218000 
1 1 1    1    5   28 o   17.140   0.4548   17.010   0.6296   17.260   0.6566 -0.2577000 0.9096000 
1 1 1    1    5   29 o   6.2940   1.1540   7.1780   1.4820   5.4100   1.7690 1.769000 2.308000 
1 1 1    1    5   30 o   3.7040   1.1660   4.2240   1.7760   3.1840   1.5110 1.040000 2.332000 
1 1 1    1    5   31 o   14.300   1.2090  ?   ?    14.300   1.2090      ?      ? 
1 1 1    1    5   32 o   3.9550   1.2090   3.7830   1.6570   4.1270   1.7600 -0.3439000 2.418000 
1 1 1    1    5   33 o   3.9230   1.2140   3.5380   1.6130   4.3090   1.8150 -0.7704000 2.428000 
1 1 1    1    5   34 f   3.9730   1.2410   4.0060   1.7480   3.9400   1.7620 0.6615000E-01 2.482000 
1 1 1    1    5   35 o   4.3710   1.4230   4.2400   1.9460   4.5010   2.0780 -0.2610000 2.847000 
1 1 1    1    5   36 o   3.2650   1.0900   3.0110   1.4530   3.5190   1.6240 -0.5075000 2.179000 
1 1 1    1    5   37 o   1.9730   0.7193   1.9420   0.9966   2.0050   1.0370 -0.6274000E-01 1.439000 
1 1 1    1    7    0 o   95.390   0.6020   95.110   0.8487   95.670   0.8539 -0.5616000 1.204000 
1 1 1    1    7    1 o   55.750   0.3608   55.750   0.5100   55.750   0.5104 -0.7629000E-03 0.7215000 
1 1 1    1    7    2 o   59.240   0.3821   59.290   0.5402   59.200   0.5405 0.8810000E-01 0.7642000 
1 1 1    1    7    3 o   78.910   0.5418   79.110   0.8204   78.710   0.7078 0.4004000 1.084000 
1 1 1    1    7    4 o  143.200   0.9022  143.100   1.2750  143.300   1.2770 -0.2633000 1.804000 
1 1 1    1    7    5 o  107.400   0.6786  107.800   0.9628  107.000   0.9566 0.7322000 1.357000 
1 1 1    1    7    6 o   49.260   0.4629   49.710   0.6609   48.800   0.6482 0.9112000 0.9257000 
1 1 1    1    7    7 o   42.020   0.4107   42.060   0.5815   41.980   0.5802 0.7469000E-01 0.8215000 
1 1 1    1    7    8 o   60.990   0.3959   60.740   0.5573   61.240   0.5626 -0.5027000 0.7919000 
1 1 1    1    7    9 o   51.190   0.3406   50.950   0.4791   51.420   0.4843 -0.4765000 0.6813000 
1 1 1    1    7   10 f   20.100   0.2549   20.020   0.3574   20.180   0.3637 -0.1580000 0.5099000 
1 1 1    1    7   11 o   22.480   0.2544   22.760   0.3599   22.210   0.3597 0.5537000 0.5088000 
1 1 1    1    7   12 o   34.860   0.2720   34.870   0.3858   34.850   0.3837 0.1526000E-01 0.5441000 
1 1 1    1    7   13 o   86.860   0.5556   87.190   0.7883   86.530   0.7831 0.6646000 1.111000 
1 1 1    1    7   14 o   95.410   0.6088   95.440   0.8611   95.370   0.8608 0.6621000E-01 1.218000 
1 1 1    1    7   15 o   52.010   0.3619   52.010   0.5102   52.010   0.5135 -0.4040000E-02 0.7238000 
1 1 1    1    7   16 o   17.110   0.4079   17.060   0.5647   17.160   0.5888 -0.9944000E-01 0.8158000 
1 1 1    1    7   17 o   28.460   0.4406   28.340   0.6158   28.580   0.6302 -0.2457000 0.8811000 
1 1 1    1    7   18 o   29.290   0.3453   29.170   0.4812   29.410   0.4953 -0.2346000 0.6905000 
1 1 1    1    7   19 o   31.160   0.3968   31.990   0.5149   30.340   0.6040 1.646000 0.7937000 
1 1 1    1    7   20 o   10.550   0.7574   10.580   0.9957   10.520   1.1420 0.6192000E-01 1.515000 
1 1 1    1    7   21 o   14.480   0.5499   13.830   0.7797   15.120   0.7757 -1.294000 1.100000 
1 1 1    1    7   22 o   8.0070   1.4050   7.2670   2.0080   8.7470   1.9650 -1.481000 2.809000 
1 1 1    1    7   23 o   18.370   0.4995   19.130   0.6865   17.610   0.7258 1.524000 0.9991000 
1 1 1    1    7   24 o   3.9960   1.1230   4.3830   1.6180   3.6080   1.5580 0.7759000 2.247000 
1 1 1    1    7   25 f   20.190   0.3832   20.100   0.5290   20.280   0.5546 -0.1761000 0.7664000 
1 1 1    1    7   26 o   6.1450   1.1160   6.3410   1.4890   5.9490   1.6640 0.3923000 2.233000 
1 1 1    1    7   27 o   3.8970   1.0960   3.0260   1.3830   4.7690   1.6990 -1.743000 2.191000 
1 1 1    1    7   28 o   11.780   0.6465   12.280   0.8598   11.280   0.9656 0.9993000 1.293000 
1 1 1    1    7   29 o   8.1090   0.9657   8.2850   1.2830   7.9320   1.4430 0.3532000 1.931000 
1 1 1    1    7   30 o   5.3140   1.3100   3.4530   1.6250   7.1760   2.0550 -3.723000 2.620000 
1 1 1    1    7   31 o   3.9830   1.2080   4.6510   1.8570   3.3150   1.5450 1.336000 2.415000 
1 1 1    1    7   32 o   4.2840   1.1630   5.8130   1.8920   2.7550   1.3540 3.058000 2.326000 
1 1 1    1    7   33 o   4.3300   1.2600   5.1950   1.9310   3.4650   1.6190 1.730000 2.520000 
1 1 1    1    7   34 o   4.5740   1.3930   4.6240   1.9530   4.5240   1.9860 0.9917000E-01 2.786000 
1 1 1    1    7   35 o   3.5160   1.1800   3.5390   1.6800   3.4930   1.6560 0.4574000E-01 2.359000 
1 1 1    1    7   36 o   2.3050   0.8242   2.3730   1.1960   2.2360   1.1340 0.1362000 1.648000 
1 1 1    1    9    0 o   55.960   0.4217   55.900   0.5963   56.020   0.5965 -0.1247000 0.8434000 
1 1 1    1    9    1 o   80.470   0.5921   81.060   0.8432   79.890   0.8314 1.164000 1.184000 
1 1 1    1    9    2 o   51.760   0.4830   51.500   0.6805   52.010   0.6857 -0.5071000 0.9661000 
1 1 1    1    9    3 o   42.830   0.4171   42.030   0.5824   43.630   0.5972 -1.594000 0.8341000 
1 1 1    1    9    4 o   22.930   0.4062   22.320   0.6572   23.550   0.4777 -1.233000 0.8125000 
1 1 1    1    9    5 o   43.070   0.4232   42.950   0.5989   43.190   0.5981 -0.2395000 0.8464000 
1 1 1    1    9    6 o   59.550   0.3897   59.620   0.5521   59.490   0.5502 0.1344000 0.7794000 
1 1 1    1    9    7 o   45.250   0.3121   45.490   0.4429   45.010   0.4399 0.4812000 0.6242000 
1 1 1    1    9    8 o   52.750   0.3529   52.830   0.4994   52.670   0.4987 0.1587000 0.7058000 
1 1 1    1    9    9 o   37.940   0.2836   37.820   0.4013   38.070   0.4010 -0.2530000 0.5673000 
1 1 1    1    9   10 o   44.840   0.3151   45.040   0.4464   44.630   0.4447 0.4080000 0.6301000 
1 1 1    1    9   11 o   37.580   0.2899   37.800   0.4094   37.360   0.4105 0.4395000 0.5798000 
1 1 1    1    9   12 o   49.760   0.3465   49.820   0.4891   49.690   0.4908 0.1319000 0.6929000 
1 1 1    1    9   13 o   59.550   0.4006   59.560   0.5659   59.540   0.5672 0.2007000E-01 0.8012000 
1 1 1    1    9   14 o   93.220   0.5975   93.020   0.8428   93.420   0.8471 -0.3916000 1.195000 
1 1 1    1    9   15 o   15.940   0.4702   15.250   0.6363   16.620   0.6924 -1.369000 0.9403000 
1 1 1    1    9   16 o   20.820   0.5419   20.670   0.7697   20.970   0.7630 -0.2973000 1.084000 
1 1 1    1    9   17 f   46.100   0.3613   46.720   0.5120   45.480   0.5099 1.238000 0.7226000 
1 1 1    1    9   18 o   17.760   0.4662   17.560   0.6450   17.970   0.6733 -0.4101000 0.9323000 
1 1 1    1    9   19 o   5.3160   1.2470   5.4750   1.7180   5.1580   1.8080 0.3171000 2.494000 
1 1 1    1    9   20 o   38.640   0.3427   38.390   0.4777   38.890   0.4915 -0.5001000 0.6854000 
1 1 1    1    9   21 f   16.470   0.7277   17.310   0.8732   15.640   1.1640 1.667000 1.455000 
1 1 1    1    9   22 o   15.010   0.6012   14.670   0.8688   15.360   0.8313 -0.6977000 1.202000 
1 1 1    1    9   23 o   4.3420   1.1680   4.3910   1.6140   4.2930   1.6900 0.9735000E-01 2.337000 
1 1 1    1    9   24 o   20.340   0.3942   19.940   0.5393   20.730   0.5752 -0.7930000 0.7885000 
1 1 1    1    9   25 o   12.080   0.5914   11.940   0.8168   12.230   0.8555 -0.2935000 1.183000 
1 1 1    1    9   26 o   12.740   0.5824   12.390   0.8023   13.080   0.8446 -0.6841000 1.165000 
1 1 1    1    9   27 o   11.240   0.6594   11.180   0.8655   11.300   0.9950 -0.1222000 1.319000 
1 1 1    1    9   28 o   6.9920   1.0840   8.1160   1.2630   5.8670   1.7620 2.248000 2.168000 
1 1 1    1    9   29 o   5.6060   1.3270   4.7560   1.8430   6.4570   1.9110 -1.702000 2.655000 
1 1 1    1    9   30 o   5.6710   1.4250   4.2110   1.8490   7.1300   2.1700 -2.919000 2.850000 
1 1 1    1    9   31 o   4.5410   1.2810   4.8650   1.8330   4.2160   1.7900 0.6485000 2.562000 
1 1 1    1    9   32 o   6.2880   1.2790   4.8640   1.8520   7.7120   1.7640 -2.849000 2.557000 
1 1 1    1    9   33 o   6.2250   1.2450   8.2850   1.6930   4.1650   1.8250 4.120000 2.489000 
1 1 1    1    9   34 o   5.2490   1.3900   7.5150   2.3350   2.9830   1.5070 4.533000 2.779000 
1 1 1    1    9   35 o   3.8600   1.2080   4.2520   1.8040   3.4690   1.6060 0.7827000 2.416000 
1 1 1    1    9   36 o   2.7010   0.9445   2.5880   1.2880   2.8140   1.3820 -0.2265000 1.889000 
1 1 1    1   11    0 o   58.120   0.3813   58.450   0.5423   57.780   0.5363 0.6761000 0.7627000 
1 1 1    1   11    1 o   29.760   0.2544   29.980   0.3600   29.550   0.3596 0.4312000 0.5088000 
1 1 1    1   11    2 o   52.240   0.3493   52.270   0.4942   52.220   0.4938 0.4511000E-01 0.6986000 
1 1 1    1   11    3 o   36.400   0.3589   37.580   0.5649   35.220   0.4427 2.357000 0.7177000 
1 1 1    1   11    4 o   7.3160   0.6938   6.1420   1.1370   8.4900   0.7962 -2.348000 1.388000 
1 1 1    1   11    5 o   19.940   0.2838   20.140   0.3946   19.740   0.4078 0.4017000 0.5675000 
1 1 1    1   11    6 o   15.350   0.3501   14.980   0.5067   15.710   0.4834 -0.7217000 0.7003000 
1 1 1    1   11    7 o   15.000   0.3608   15.310   0.4959   14.690   0.5242 0.6270000 0.7216000 
1 1 1    1   11    8 o   61.320   0.4054   61.580   0.5755   61.060   0.5711 0.5235000 0.8108000 
1 1 1    1   11    9 o   38.240   0.3673   37.480   0.5995   39.010   0.4244 -1.531000 0.7345000 
1 1 1    1   11   10 o   12.200   0.4798   12.020   0.6820   12.390   0.6750 -0.3625000 0.9596000 
1 1 1    1   11   11 o   67.050   0.4425   67.330   0.6273   66.760   0.6241 0.5641000 0.8849000 
1 1 1    1   11   12 o   80.460   0.5218   80.460   0.7375   80.450   0.7383 0.1411000E-01 1.044000 
1 1 1    1   11   13 o   49.760   0.3597   49.600   0.5073   49.910   0.5101 -0.3112000 0.7194000 
1 1 1    1   11   14 o   26.110   0.4206   25.940   0.5964   26.280   0.5933 -0.3428000 0.8412000 
1 1 1    1   11   15 o   35.810   0.4665   36.050   0.6601   35.580   0.6595 0.4656000 0.9331000 
1 1 1    1   11   16 o   18.260   0.4852   17.610   0.6860   18.900   0.6864 -1.299000 0.9704000 
1 1 1    1   11   17 o   16.690   0.4973   16.270   0.6949   17.110   0.7116 -0.8424000 0.9946000 
1 1 1    1   11   18 o   40.630   0.3490   40.840   0.4847   40.420   0.5024 0.4118000 0.6981000 
1 1 1    1   11   19 o   22.920   0.4024   22.580   0.5516   23.260   0.5860 -0.6816000 0.8048000 
1 1 1    1   11   20 o   23.040   0.5702   23.540   0.7514   22.540   0.8579 1.003000 1.140000 
1 1 1    1   11   21 o   15.820   0.5889   14.910   0.8518   16.740   0.8135 -1.835000 1.178000 
1 1 1    1   11   22 o   11.260   0.6610   11.430   0.8829   11.090   0.9839 0.3436000 1.322000 
1 1 1    1   11   23 o   4.6720   1.1770   4.7090   1.6240   4.6360   1.7030 0.7262000E-01 2.354000 
1 1 1    1   11   24 o   13.390   0.5457   12.300   0.7971   14.490   0.7455 -2.190000 1.091000 
1 1 1    1   11   25 o   9.1840   0.8032   9.7070   0.9739   8.6620   1.2770 1.046000 1.606000 
1 1 1    1   11   26 o   3.4650   1.0720   3.0540   1.3990   3.8760   1.6250 -0.8218000 2.144000 
1 1 1    1   11   27 o   5.6080   1.1480   6.5760   1.5160   4.6400   1.7260 1.936000 2.297000 
1 1 1    1   11   28 o   8.7890   0.9424   9.3660   1.1740   8.2120   1.4740 1.154000 1.885000 
1 1 1    1   11   29 o   4.7580   1.3490   5.6730   2.0200   3.8430   1.7870 1.829000 2.697000 
1 1 1    1   11   30 o   8.0690   1.1170   8.7950   1.3450   7.3430   1.7830 1.452000 2.233000 
1 1 1    1   11   31 o   3.8460   1.1880   3.1580   1.4920   4.5340   1.8500 -1.377000 2.377000 
1 1 1    1   11   32 o   4.1050   1.2370   3.4030   1.5740   4.8070   1.9090 -1.404000 2.474000 
1 1 1    1   11   33 f   3.9340   1.3260   3.8800   1.8360   3.9890   1.9120 -0.1088000 2.651000 
1 1 1    1   11   34 o   3.4070   1.1520   3.2550   1.5760   3.5590   1.6810 -0.3038000 2.304000 
1 1 1    1   11   35 o   2.3430   0.8365   2.4360   1.2230   2.2510   1.1410 0.1848000 1.673000 
1 1 1    1   13    0 o   25.240   0.2726   25.490   0.3850   24.990   0.3859 0.4980000 0.5451000 
1 1 1    1   13    1 o   16.410   0.3408   16.610   0.4761   16.210   0.4879 0.4015000 0.6816000 
1 1 1    1   13    2 o   27.960   0.2728   28.260   0.3827   27.660   0.3890 0.6037000 0.5457000 
1 1 1    1   13    3 o   34.210   0.2831   34.080   0.3998   34.330   0.4010 -0.2471000 0.5663000 
1 1 1    1   13    4 o   57.800   0.3871   57.410   0.5437   58.200   0.5511 -0.7869000 0.7741000 
1 1 1    1   13    5 o   45.370   0.3266   45.520   0.4618   45.230   0.4620 0.2876000 0.6532000 
1 1 1    1   13    6 o   55.580   0.3773   55.730   0.5335   55.430   0.5336 0.3023000 0.7546000 
1 1 1    1   13    7 o   40.430   0.3148   40.820   0.4469   40.050   0.4434 0.7692000 0.6296000 
1 1 1    1   13    8 o   81.210   0.5256   80.880   0.7404   81.540   0.7461 -0.6585000 1.051000 
1 1 1    1   13    9 o   65.100   0.4345   65.150   0.6142   65.040   0.6146 0.1058000 0.8689000 
1 1 1    1   13   10 o   20.400   0.3722   20.160   0.5281   20.640   0.5247 -0.4833000 0.7444000 
1 1 1    1   13   11 o   65.960   0.4425   66.100   0.6254   65.820   0.6262 0.2818000 0.8851000 
1 1 1    1   13   12 o   47.970   0.4213   47.970   0.5964   47.970   0.5953 -0.5905000E-02 0.8427000 
1 1 1    1   13   13 o   58.370   0.5739   58.400   0.8073   58.340   0.8159 0.5928000E-01 1.148000 
1 1 1    1   13   14 o   21.940   0.4566   21.860   0.6272   22.030   0.6639 -0.1705000 0.9133000 
1 1 1    1   13   15 o   6.2870   1.2680   5.8740   1.7790   6.7000   1.8070 -0.8260000 2.535000 
1 1 1    1   13   16 o   35.560   0.3530   35.470   0.4897   35.650   0.5085 -0.1806000 0.7060000 
1 1 1    1   13   17 o   14.450   0.6075   14.520   0.8070   14.380   0.9084 0.1387000 1.215000 
1 1 1    1   13   18 o   15.570   0.5425   15.600   0.7495   15.540   0.7845 0.6305000E-01 1.085000 
1 1 1    1   13   19 o   12.050   0.9629   11.710   1.3500   12.390   1.3730 -0.6824000 1.926000 
1 1 1    1   13   20 o   14.090   0.6391   13.890   0.8850   14.290   0.9222 -0.4080000 1.278000 
1 1 1    1   13   21 o   16.730   0.4657   16.370   0.6381   17.080   0.6784 -0.7002000 0.9313000 
1 1 1    1   13   22 o   8.5090   0.8917   7.5210   1.3490   9.4970   1.1670 -1.975000 1.783000 
1 1 1    1   13   23 o   13.590   0.5560   13.660   0.7492   13.520   0.8219 0.1460000 1.112000 
1 1 1    1   13   24 o   13.020   0.6523   11.680   0.8651   14.360   0.9765 -2.678000 1.305000 
1 1 1    1   13   25 f   5.7390   1.1890   5.6290   1.6250   5.8490   1.7380 -0.2207000 2.379000 
1 1 1    1   13   26 o   12.830   0.6143   12.720   0.8273   12.940   0.9082 -0.2176000 1.229000 
1 1 1    1   13   27 o   12.340   0.6731   12.740   0.8761   11.930   1.0220 0.8107000 1.346000 
1 1 1    1   13   28 o   8.6330   1.3050   9.0790   1.6960   8.1880   1.9830 0.8919000 2.609000 
1 1 1    1   13   29 o   3.2310   1.0800   2.7260   1.3360   3.7360   1.6980 -1.010000 2.161000 
1 1 1    1   13   30 f   4.0250   1.2330   3.7190   1.6550   4.3310   1.8290 -0.6118000 2.467000 
1 1 1    1   13   31 f   4.5120   1.2970   3.9390   1.7240   5.0850   1.9380 -1.146000 2.594000 
1 1 1    1   13   32 o   5.0210   1.4320   5.2940   2.0250   4.7470   2.0250 0.5461000 2.864000 
1 1 1    1   13   33 o   3.1490   1.0790   3.6850   1.7100   2.6130   1.3160 1.072000 2.158000 
1 1 1    1   13   34 o   2.9920   1.0200   2.8650   1.3980   3.1190   1.4850 -0.2540000 2.040000 
1 1 1    1   15    0 o   48.410   0.3437   48.340   0.4850   48.470   0.4871 -0.1286000 0.6874000 
1 1 1    1   15    1 o   63.810   0.4236   63.830   0.5990   63.800   0.5990 0.3017000E-01 0.8471000 
1 1 1    1   15    2 o   53.590   0.3704   53.460   0.5225   53.710   0.5251 -0.2421000 0.7407000 
1 1 1    1   15    3 o   13.270   0.5045   13.430   0.7041   13.120   0.7226 0.3099000 1.009000 
1 1 1    1   15    4 o   41.300   0.3501   41.870   0.5273   40.730   0.4606 1.139000 0.7001000 
1 1 1    1   15    5 o   72.760   0.4782   72.180   0.6697   73.340   0.6827 -1.165000 0.9564000 
1 1 1    1   15    6 o   43.720   0.3358   43.850   0.4725   43.580   0.4772 0.2688000 0.6715000 
1 1 1    1   15    7 o   37.350   0.3476   36.960   0.5185   37.740   0.4630 -0.7803000 0.6952000 
1 1 1    1   15    8 o   13.920   0.5582   13.680   0.7956   14.160   0.7831 -0.4805000 1.116000 
1 1 1    1   15    9 o   32.700   0.3762   32.320   0.4835   33.080   0.5764 -0.7572000 0.7524000 
1 1 1    1   15   10 o   11.790   1.0080   10.460   1.5580   13.120   1.2810 -2.653000 2.017000 
1 1 1    1   15   11 o   27.850   0.7398   27.850   0.7398  ?   ?       ?      ? 
1 1 1    1   15   12 o   26.990   0.3866   27.020   0.5333   26.960   0.5599 0.6420000E-01 0.7733000 
1 1 1    1   15   13 o   18.330   0.5060   18.670   0.6907   17.990   0.7397 0.6896000 1.012000 
1 1 1    1   15   14 o   14.300   0.6226   14.490   0.8356   14.100   0.9231 0.3936000 1.245000 
1 1 1    1   15   15 o   36.890   0.3558   37.190   0.4995   36.580   0.5068 0.6113000 0.7116000 
1 1 1    1   15   16 o   23.650   0.4028   23.290   0.5571   24.010   0.5820 -0.7201000 0.8056000 
1 1 1    1   15   17 o   5.4220   1.3990   4.9410   1.8680   5.9020   2.0820 -0.9614000 2.797000 
1 1 1    1   15   18 o   30.040   0.5076   30.750   0.6989   29.320   0.7362 1.437000 1.015000 
1 1 1    1   15   19 f   17.360   0.4762   17.740   0.6364   16.970   0.7085 0.7714000 0.9524000 
1 1 1    1   15   20 o   20.480   0.4066   20.290   0.5462   20.670   0.6025 -0.3797000 0.8133000 
1 1 1    1   15   21 o   10.280   0.7345   11.260   0.9008   9.2970   1.1600 1.966000 1.469000 
1 1 1    1   15   22 o   21.170   0.4045   21.250   0.5453   21.080   0.5978 0.1702000 0.8091000 
1 1 1    1   15   23 f   22.650   0.3854   22.600   0.5315   22.710   0.5582 -0.1084000 0.7708000 
1 1 1    1   15   24 o   11.140   0.6831   11.010   0.9273   11.260   1.0030 -0.2485000 1.366000 
1 1 1    1   15   25 o   3.5260   1.1040   3.4480   1.5190   3.6050   1.6010 -0.1566000 2.208000 
1 1 1    1   15   26 o   3.5080   1.1020   3.8490   1.6290   3.1660   1.4850 0.6834000 2.204000 
1 1 1    1   15   27 o   4.3460   1.2920   5.6330   2.1000   3.0600   1.5050 2.574000 2.584000 
1 1 1    1   15   28 f   7.6380   1.2780   8.3680   1.6060   6.9070   1.9890 1.461000 2.556000 
1 1 1    1   15   29 o   6.3980   1.3570   6.7000   1.8470   6.0950   1.9880 0.6045000 2.713000 
1 1 1    1   15   30 o   9.3050   1.1130   10.350   1.2910   8.2570   1.8130 2.095000 2.226000 
1 1 1    1   15   31 o   4.1520   1.3120   4.3850   1.8950   3.9190   1.8160 0.4653000 2.625000 
1 1 1    1   15   32 o   3.9000   1.2510   2.9500   1.4590   4.8500   2.0330 -1.900000 2.502000 
1 1 1    1   15   33 o   3.0470   1.0380   3.0320   1.4600   3.0610   1.4760 -0.2935000E-01 2.075000 
1 1 1    1   17    0 o   16.720   0.4753   16.160   0.7009   17.270   0.6420 -1.105000 0.9505000 
1 1 1    1   17    1 o   52.380   0.3754   52.410   0.5320   52.340   0.5299 0.7875000E-01 0.7508000 
1 1 1    1   17    2 f   49.900   0.3656   50.350   0.5202   49.450   0.5138 0.8930000 0.7312000 
1 1 1    1   17    3 o   52.960   0.3807   53.440   0.5420   52.470   0.5346 0.9731000 0.7613000 
1 1 1    1   17    4 o  123.300   0.7864  124.200   1.1200  122.300   1.1040 1.902000 1.573000 
1 1 1    1   17    5 o   74.780   0.7016   75.240   0.9985   74.310   0.9860 0.9344000 1.403000 
1 1 1    1   17    6 o   18.060   0.7132   18.220   1.0430   17.900   0.9731 0.3172000 1.426000 
1 1 1    1   17    7 o   14.430   0.8626   14.800   1.1920   14.070   1.2470 0.7228000 1.725000 
1 1 1    1   17    8 o   43.970   0.4132   44.300   0.5843   43.640   0.5843 0.6642000 0.8263000 
1 1 1    1   17    9 o   40.220   0.3816   41.490   0.5660   38.950   0.5119 2.543000 0.7632000 
1 1 1    1   17   10 o   24.180   0.4276   23.490   0.5988   24.870   0.6106 -1.382000 0.8552000 
1 1 1    1   17   11 o   18.360   0.5286   17.330   0.7659   19.400   0.7288 -2.075000 1.057000 
1 1 1    1   17   12 o   18.200   0.5260   18.080   0.7225   18.320   0.7646 -0.2399000 1.052000 
1 1 1    1   17   13 o   19.690   0.4839   19.210   0.6832   20.170   0.6855 -0.9539000 0.9678000 
1 1 1    1   17   14 o   20.120   0.4675   19.810   0.6537   20.420   0.6686 -0.6103000 0.9351000 
1 1 1    1   17   15 f   25.270   0.5657   24.770   0.7683   25.780   0.8305 -1.007000 1.131000 
1 1 1    1   17   16 o   16.610   0.7467   17.050   0.9223   16.180   1.1750 0.8770000 1.493000 
1 1 1    1   17   17 o   21.680   0.4090   21.860   0.5626   21.490   0.5939 0.3715000 0.8181000 
1 1 1    1   17   18 o   6.4160   1.0670   4.2180   1.6480   8.6150   1.3580 -4.397000 2.135000 
1 1 1    1   17   19 o   4.3950   1.1280   5.3300   1.6490   3.4600   1.5410 1.870000 2.257000 
1 1 1    1   17   20 o   25.200   0.3650   25.020   0.5042   25.380   0.5280 -0.3646000 0.7301000 
1 1 1    1   17   21 o   8.7190   0.9276   9.3280   1.1080   8.1100   1.4880 1.218000 1.855000 
1 1 1    1   17   22 o   16.340   0.5052   15.690   0.7169   16.980   0.7119 -1.294000 1.010000 
1 1 1    1   17   23 o   15.950   0.5770   14.030   0.7734   17.880   0.8566 -3.856000 1.154000 
1 1 1    1   17   24 o   3.6300   1.1120   4.1820   1.6740   3.0770   1.4650 1.106000 2.225000 
1 1 1    1   17   25 o   3.9290   1.2380   3.4990   1.6320   4.3590   1.8640 -0.8605000 2.477000 
1 1 1    1   17   26 o   3.9510   1.2840   4.0130   1.8150   3.8900   1.8170 0.1230000 2.568000 
1 1 1    1   17   27 o   8.4760   1.1020   7.7480   1.6450   9.2030   1.4670 -1.455000 2.204000 
1 1 1    1   17   28 o   8.4510   1.1770   10.500   1.2710   6.4050   1.9820 4.092000 2.354000 
1 1 1    1   17   29 o   3.5310   1.1440   3.2290   1.5210   3.8330   1.7100 -0.6044000 2.289000 
1 1 1    1   17   30 o   5.2290   1.3300   6.9220   2.0560   3.5350   1.6900 3.387000 2.661000 
1 1 1    1   17   31 o   3.5990   1.2030   3.6610   1.7130   3.5370   1.6900 0.1243000 2.406000 
1 1 1    1   17   32 o   3.0820   1.0420   3.0620   1.4600   3.1030   1.4870 -0.4146000E-01 2.084000 
1 1 1    1   19    0 o   18.690   0.4996   18.410   0.7212   18.960   0.6917 -0.5495000 0.9993000 
1 1 1    1   19    1 o   53.670   0.3916   54.070   0.5569   53.270   0.5506 0.7990000 0.7831000 
1 1 1    1   19    2 o   12.640   0.7067   12.860   0.9935   12.430   1.0050 0.4290000 1.413000 
1 1 1    1   19    3 o   37.900   0.3533   38.060   0.5006   37.730   0.4988 0.3356000 0.7067000 
1 1 1    1   19    4 o   37.080   0.3600   37.530   0.5032   36.640   0.5150 0.8891000 0.7200000 
1 1 1    1   19    5 o   84.120   0.5520   84.250   0.7803   83.980   0.7809 0.2727000 1.104000 
1 1 1    1   19    6 o   26.110   0.4026   26.360   0.5604   25.860   0.5782 0.5020000 0.8052000 
1 1 1    1   19    7 o   19.030   0.5009   18.680   0.6959   19.380   0.7206 -0.6962000 1.002000 
1 1 1    1   19    8 o   7.9080   1.1600   8.5400   1.4720   7.2770   1.7930 1.262000 2.320000 
1 1 1    1   19    9 o   6.2550   1.2170   7.8240   1.5700   4.6860   1.8600 3.139000 2.434000 
1 1 1    1   19   10 o   52.170   0.3896   52.240   0.5446   52.100   0.5573 0.1321000 0.7793000 
1 1 1    1   19   11 f   34.250   0.3672   34.480   0.5100   34.020   0.5284 0.4566000 0.7344000 
1 1 1    1   19   12 o   21.540   0.5260   21.360   0.7048   21.720   0.7811 -0.3664000 1.052000 
1 1 1    1   19   13 o   21.690   0.6272   21.100   0.8557   22.290   0.9172 -1.186000 1.254000 
1 1 1    1   19   14 o   9.1010   1.0710   9.1970   1.4350   9.0040   1.5900 0.1934000 2.142000 
1 1 1    1   19   15 o   6.8300   1.1880   6.2660   1.6890   7.3940   1.6710 -1.128000 2.375000 
1 1 1    1   19   16 o   18.910   0.4635   19.260   0.6144   18.560   0.6942 0.7039000 0.9271000 
1 1 1    1   19   17 o   8.8150   0.9276   9.2240   1.2040   8.4060   1.4120 0.8178000 1.855000 
1 1 1    1   19   18 o   9.4570   0.8476   10.370   1.0360   8.5430   1.3420 1.829000 1.695000 
1 1 1    1   19   19 o   29.960   0.3565   30.140   0.4977   29.780   0.5105 0.3620000 0.7129000 
1 1 1    1   19   20 f   13.560   0.5913   13.140   0.8157   13.990   0.8563 -0.8506000 1.183000 
1 1 1    1   19   21 o   5.2900   1.2520   4.7090   1.7230   5.8700   1.8170 -1.160000 2.504000 
1 1 1    1   19   22 o   6.2770   1.2200   6.8440   1.6170   5.7090   1.8270 1.135000 2.439000 
1 1 1    1   19   23 o   6.9670   1.2030   5.4090   1.8260   8.5260   1.5670 -3.117000 2.407000 
1 1 1    1   19   24 o   5.0650   1.4530   5.2150   2.0340   4.9160   2.0750 0.2992000 2.905000 
1 1 1    1   19   25 o   5.3050   1.3710   5.4350   1.8660   5.1760   2.0090 0.2588000 2.742000 
1 1 1    1   19   26 o   7.1290   1.2860   6.6270   1.8300   7.6320   1.8060 -1.005000 2.572000 
1 1 1    1   19   27 o   8.0690   1.2200   8.6130   1.5760   7.5260   1.8630 1.087000 2.440000 
1 1 1    1   19   28 o   3.3530   1.1160   3.1020   1.4860   3.6050   1.6640 -0.5029000 2.231000 
1 1 1    1   19   29 o   10.960   1.0940   11.560   1.3740   10.360   1.7030 1.202000 2.188000 
1 1 1    1   19   30 o   2.8140   0.9874   3.1650   1.5290   2.4630   1.2500 0.7022000 1.975000 
1 1 1    1   19   31 o   3.4130   1.1320   3.1410   1.4930   3.6850   1.7020 -0.5440000 2.264000 
1 1 1    1   21    0 o   26.320   0.3818   26.180   0.5401   26.470   0.5398 -0.2816000 0.7636000 
1 1 1    1   21    1 o   32.230   0.3553   32.290   0.5014   32.170   0.5034 0.1220000 0.7105000 
1 1 1    1   21    2 o   9.7200   0.9043   9.1100   1.3640   10.330   1.1870 -1.220000 1.809000 
1 1 1    1   21    3 o   11.600   0.7492   11.460   1.0730   11.730   1.0460 -0.2738000 1.498000 
1 1 1    1   21    4 o   43.690   0.3640   43.400   0.5062   43.990   0.5232 -0.5942000 0.7280000 
1 1 1    1   21    5 o   37.640   0.3566   38.160   0.4945   37.110   0.5140 1.049000 0.7132000 
1 1 1    1   21    6 o   33.980   0.3551   33.830   0.4873   34.130   0.5166 -0.3048000 0.7102000 
1 1 1    1   21    7 o   16.960   0.5301   17.360   0.6955   16.560   0.8002 0.8034000 1.060000 
1 1 1    1   21    8 o   14.190   0.8536   14.650   1.0710   13.730   1.3290 0.9129000 1.707000 
1 1 1    1   21    9 o   3.5610   1.1740   4.0520   1.7890   3.0700   1.5200 0.9826000 2.348000 
1 1 1    1   21   10 o   7.6860   1.4320   7.4510   1.8670   7.9200   2.1720 -0.4692000 2.864000 
1 1 1    1   21   11 o   12.920   0.6772   12.450   0.8844   13.390   1.0260 -0.9376000 1.354000 
1 1 1    1   21   12 o   6.5470   1.2130   6.3640   1.6590   6.7310   1.7690 -0.3672000 2.425000 
1 1 1    1   21   13 o   10.990   0.7978   12.050   0.9836   9.9230   1.2560 2.124000 1.596000 
1 1 1    1   21   14 o   7.2820   1.1160   5.9070   1.7460   8.6570   1.3900 -2.750000 2.232000 
1 1 1    1   21   15 o   11.040   0.7550   10.880   1.0460   11.190   1.0890 -0.3049000 1.510000 
1 1 1    1   21   16 o   17.050   0.5348   17.300   0.6763   16.800   0.8287 0.4987000 1.070000 
1 1 1    1   21   17 o   27.090   0.3728   27.060   0.5202   27.120   0.5341 -0.6370000E-01 0.7456000 
1 1 1    1   21   18 o   10.440   0.7914   10.660   1.0760   10.210   1.1610 0.4484000 1.583000 
1 1 1    1   21   19 f   14.200   0.5858   13.620   0.8177   14.780   0.8391 -1.155000 1.172000 
1 1 1    1   21   20 o   14.350   0.5922   13.580   0.8532   15.120   0.8215 -1.544000 1.184000 
1 1 1    1   21   21 o   6.0110   1.2090   7.3750   1.5940   4.6460   1.8180 2.729000 2.418000 
1 1 1    1   21   22 o   4.5590   1.3000   5.8840   2.0830   3.2350   1.5560 2.650000 2.600000 
1 1 1    1   21   23 o   6.6900   1.3240   8.1340   1.6910   5.2470   2.0380 2.887000 2.648000 
1 1 1    1   21   24 o   7.6910   1.2450   7.4090   1.7100   7.9720   1.8090 -0.5628000 2.489000 
1 1 1    1   21   25 o   2.9300   1.0090   2.7710   1.3580   3.0880   1.4920 -0.3177000 2.018000 
1 1 1    1   21   26 o   4.6380   1.3110   5.0130   1.8820   4.2630   1.8260 0.7499000 2.622000 
1 1 1    1   21   27 o   7.5460   1.4230   6.5390   2.0270   8.5530   1.9970 -2.014000 2.845000 
1 1 1    1   21   28 o   3.9550   1.3280   3.9810   1.8710   3.9300   1.8860 0.5104000E-01 2.656000 
1 1 1    1   21   29 o   2.9560   1.0130   2.7600   1.3570   3.1520   1.5050 -0.3926000 2.027000 
1 1 1    1   21   30 o   2.5480   0.9150   2.6400   1.3160   2.4560   1.2720 0.1848000 1.830000 
1 1 1    1   23    0 f   13.650   0.8677   15.010   0.9657   12.290   1.4420 2.722000 1.735000 
1 1 1    1   23    1 o   21.680   0.5771   21.130   0.7532   22.230   0.8744 -1.101000 1.154000 
1 1 1    1   23    2 o   41.460   0.4921   41.260   0.6665   41.650   0.7241 -0.3847000 0.9841000 
1 1 1    1   23    3 f   13.360   1.3600  ?   ?    13.360   1.3600      ?      ? 
1 1 1    1   23    4 o   24.630   0.6929   24.630   0.6929  ?   ?       ?      ? 
1 1 1    1   23    5 o   18.400   0.4893   18.470   0.6488   18.320   0.7327 0.1493000 0.9787000 
1 1 1    1   23    6 o   30.630   0.3563   30.500   0.4850   30.750   0.5220 -0.2542000 0.7125000 
1 1 1    1   23    7 o   19.850   0.4478   20.190   0.5905   19.510   0.6733 0.6789000 0.8956000 
1 1 1    1   23    8 o   7.0040   1.1530   6.1210   1.6780   7.8860   1.5830 -1.765000 2.307000 
1 1 1    1   23    9 o   3.9430   1.1690   3.9710   1.6210   3.9140   1.6860 0.5686000E-01 2.339000 
1 1 1    1   23   10 o   21.500   0.4113   21.830   0.5517   21.160   0.6103 0.6633000 0.8227000 
1 1 1    1   23   11 o   9.8670   0.8278   9.5060   1.1280   10.230   1.2110 -0.7218000 1.656000 
1 1 1    1   23   12 o   7.3410   1.1120   7.2750   1.5250   7.4070   1.6190 -0.1322000 2.224000 
1 1 1    1   23   13 o   9.8470   0.9021   11.650   0.9574   8.0480   1.5290 3.598000 1.804000 
1 1 1    1   23   14 o   12.720   0.6440   12.760   0.8374   12.680   0.9787 0.7300000E-01 1.288000 
1 1 1    1   23   15 o   4.3240   1.1990   5.1550   1.8030   3.4930   1.5810 1.662000 2.398000 
1 1 1    1   23   16 o   14.830   0.6066   14.670   0.8379   14.980   0.8773 -0.3129000 1.213000 
1 1 1    1   23   17 o   16.200   0.5646   16.190   0.7827   16.200   0.8139 -0.1431000E-01 1.129000 
1 1 1    1   23   18 o   12.730   0.7090   13.110   0.9502   12.350   1.0530 0.7531000 1.418000 
1 1 1    1   23   19 o   5.0780   1.3540   5.5880   1.8700   4.5670   1.9580 1.021000 2.707000 
1 1 1    1   23   20 o   6.1470   1.5520   5.6100   2.1050   6.6840   2.2820 -1.074000 3.105000 
1 1 1    1   23   21 o   5.3870   1.3860   5.8500   1.9460   4.9230   1.9730 0.9268000 2.771000 
1 1 1    1   23   22 o   4.6050   1.3190   4.2580   1.7840   4.9520   1.9450 -0.6946000 2.639000 
1 1 1    1   23   23 o   7.4500   1.3090   6.9910   1.8540   7.9090   1.8490 -0.9178000 2.619000 
1 1 1    1   23   24 o   3.9400   1.2350   4.1650   1.7930   3.7160   1.6990 0.4495000 2.470000 
1 1 1    1   23   25 o   4.9290   1.4270   5.2670   2.0410   4.5910   1.9940 0.6758000 2.853000 
1 1 1    1   23   26 o   3.6070   1.2420   3.4740   1.6960   3.7390   1.8150 -0.2652000 2.484000 
1 1 1    1   23   27 o   3.4460   1.1550   3.0990   1.5050   3.7930   1.7520 -0.6944000 2.309000 
1 1 1    1   23   28 o   2.5290   0.8886   2.3910   1.1980   2.6660   1.3130 -0.2747000 1.777000 
1 1 1    1   25    0 o   28.820   0.3461   29.060   0.4819   28.580   0.4968 0.4829000 0.6921000 
1 1 1    1   25    1 o   20.530   0.4154   20.560   0.5762   20.500   0.5986 0.6307000E-01 0.8308000 
1 1 1    1   25    2 o   5.7320   1.2260   5.6950   1.7180   5.7700   1.7490 -0.7454000E-01 2.451000 
1 1 1    1   25    3 o   9.0950   0.8844   9.6530   1.1420   8.5370   1.3500 1.115000 1.769000 
1 1 1    1   25    4 o   41.800   0.3558   41.310   0.4914   42.280   0.5145 -0.9666000 0.7115000 
1 1 1    1   25    5 o   25.840   0.3787   26.370   0.5089   25.310   0.5611 1.059000 0.7575000 
1 1 1    1   25    6 o   25.080   0.3835   25.420   0.5145   24.730   0.5688 0.6886000 0.7670000 
1 1 1    1   25    7 o   31.480   0.3520   32.020   0.4795   30.940   0.5156 1.083000 0.7041000 
1 1 1    1   25    8 o   17.730   0.4915   17.710   0.6609   17.750   0.7276 -0.4429000E-01 0.9830000 
1 1 1    1   25    9 o   7.9360   1.0450   7.8180   1.3990   8.0540   1.5520 -0.2366000 2.089000 
1 1 1    1   25   10 o   7.0900   1.1760   6.7020   1.6450   7.4780   1.6800 -0.7766000 2.351000 
1 1 1    1   25   11 o   8.2070   1.0420   6.8130   1.6200   9.6020   1.3100 -2.789000 2.083000 
1 1 1    1   25   12 o   6.1870   1.2400   5.5720   1.7450   6.8010   1.7600 -1.230000 2.479000 
1 1 1    1   25   13 o   12.710   0.6871   13.120   0.8799   12.310   1.0560 0.8127000 1.374000 
1 1 1    1   25   14 o   8.7300   1.0180   8.3280   1.4230   9.1310   1.4550 -0.8031000 2.035000 
1 1 1    1   25   15 o   7.4420   1.1760   7.9530   1.5080   6.9310   1.8060 1.022000 2.353000 
1 1 1    1   25   16 o   14.260   0.6459   14.930   0.8140   13.600   1.0030 1.328000 1.292000 
1 1 1    1   25   17 o   13.290   0.8922   13.750   1.2320   12.840   1.2910 0.9114000 1.784000 
1 1 1    1   25   18 o   5.3850   1.5520   6.1420   2.3250   4.6270   2.0570 1.515000 3.104000 
1 1 1    1   25   19 o   18.730   0.6031   18.760   0.8273   18.700   0.8777 0.5185000E-01 1.206000 
1 1 1    1   25   20 o   11.610   0.8848   10.910   1.2950   12.320   1.2060 -1.413000 1.770000 
1 1 1    1   25   21 o   4.1700   1.2740   3.8710   1.7270   4.4680   1.8720 -0.5966000 2.547000 
1 1 1    1   25   22 o   9.9060   1.0400   9.8040   1.4440   10.010   1.4990 -0.2042000 2.081000 
1 1 1    1   25   23 o   2.8700   1.0070   2.7650   1.3760   2.9750   1.4700 -0.2100000 2.013000 
1 1 1    1   25   24 o   3.1780   1.1120   3.1000   1.5380   3.2550   1.6080 -0.1544000 2.225000 
1 1 1    1   25   25 o   3.2560   1.1040   3.8250   1.7470   2.6870   1.3500 1.138000 2.208000 
1 1 1    1   25   26 o   2.7340   0.9497   2.4370   1.2200   3.0310   1.4550 -0.5937000 1.899000 
1 1 1    1   27    0 o   5.2200   1.1220   3.3850   1.5320   7.0560   1.6380 -3.671000 2.243000 
1 1 1    1   27    1 o   13.940   0.5919   13.640   0.8458   14.240   0.8282 -0.6037000 1.184000 
1 1 1    1   27    2 o   11.840   0.7499   12.310   1.0790   11.360   1.0410 0.9490000 1.500000 
1 1 1    1   27    3 o   11.120   0.7503   11.410   1.0220   10.840   1.0990 0.5695000 1.501000 
1 1 1    1   27    4 o   5.5380   1.3020   5.2520   1.7920   5.8240   1.8900 -0.5719000 2.605000 
1 1 1    1   27    5 o   21.400   0.4476   21.370   0.6015   21.420   0.6631 -0.5287000E-01 0.8953000 
1 1 1    1   27    6 o   19.770   0.4652   19.330   0.6347   20.210   0.6802 -0.8848000 0.9303000 
1 1 1    1   27    7 f   13.930   0.6263   13.850   0.8507   14.010   0.9194 -0.1527000 1.253000 
1 1 1    1   27    8 o   19.900   0.4678   19.750   0.6377   20.040   0.6846 -0.2947000 0.9356000 
1 1 1    1   27    9 o   11.200   0.7813   11.310   1.0300   11.090   1.1750 0.2253000 1.563000 
1 1 1    1   27   10 o   12.550   0.7041   13.300   0.8803   11.810   1.0990 1.495000 1.408000 
1 1 1    1   27   11 f   17.070   0.5406   17.120   0.7331   17.010   0.7948 0.1098000 1.081000 
1 1 1    1   27   12 o   8.3710   1.1300   9.7800   1.2450   6.9610   1.8850 2.819000 2.259000 
1 1 1    1   27   13 o   11.360   0.9796   10.200   1.4460   12.520   1.3220 -2.329000 1.959000 
1 1 1    1   27   14 o   3.9080   1.2920   4.0810   1.8780   3.7350   1.7750 0.3463000 2.584000 
1 1 1    1   27   15 o   6.2290   1.3100   8.3330   1.8780   4.1250   1.8250 4.208000 2.619000 
1 1 1    1   27   16 o   3.5140   1.1430   3.6040   1.6380   3.4250   1.5950 0.1795000 2.286000 
1 1 1    1   27   17 o   7.4960   1.2970   7.9460   1.7480   7.0460   1.9160 0.9007000 2.594000 
1 1 1    1   27   18 o   5.6060   1.3790   5.1860   1.9230   6.0260   1.9770 -0.8399000 2.758000 
1 1 1    1   27   19 o   5.7470   1.3730   6.3520   1.9130   5.1420   1.9690 1.209000 2.745000 
1 1 1    1   27   20 o   6.9370   1.3560   6.1650   1.9800   7.7100   1.8530 -1.546000 2.712000 
1 1 1    1   27   21 o   5.0790   1.4710   4.5420   1.9200   5.6160   2.2280 -1.073000 2.941000 
1 1 1    1   27   22 o   3.1660   1.1060   3.2490   1.5900   3.0830   1.5370 0.1655000 2.212000 
1 1 1    1   27   23 o   3.1490   1.0770   3.5100   1.6450   2.7890   1.3900 0.7219000 2.153000 
1 1 1    1   27   24 o   1.9580   0.7187   1.9290   1.0040   1.9870   1.0280 -0.5802000E-01 1.437000 
1 1 1    1   29    0 o   18.390   0.4824   18.310   0.6751   18.460   0.6892 -0.1450000 0.9648000 
1 1 1    1   29    1 o   12.160   0.6859   11.770   0.9864   12.550   0.9533 -0.7798000 1.372000 
1 1 1    1   29    2 o   11.390   0.7527   11.120   1.0910   11.660   1.0380 -0.5369000 1.505000 
1 1 1    1   29    3 o   11.820   0.7288   11.200   1.0750   12.440   0.9839 -1.239000 1.458000 
1 1 1    1   29    4 o   8.7360   1.0480   8.9440   1.3890   8.5280   1.5700 0.4155000 2.096000 
1 1 1    1   29    5 o   8.2000   1.1320   6.9680   1.7290   9.4310   1.4600 -2.463000 2.263000 
1 1 1    1   29    6 o   9.9010   0.9380   10.690   1.1320   9.1130   1.4960 1.575000 1.876000 
1 1 1    1   29    7 o   6.3610   1.3860   6.2090   1.8180   6.5130   2.0920 -0.3035000 2.772000 
1 1 1    1   29    8 o   18.220   0.7781   18.850   1.0090   17.590   1.1850 1.262000 1.556000 
1 1 1    1   29    9 o   9.5120   1.4350   7.2820   2.2560   11.740   1.7750 -4.460000 2.871000 
1 1 1    1   29   10 o   4.6260   1.3830   5.8790   2.2150   3.3730   1.6560 2.506000 2.766000 
1 1 1    1   29   11 o   3.3590   1.1290   3.2940   1.5760   3.4250   1.6180 -0.1308000 2.259000 
1 1 1    1   29   12 o   3.5930   1.1500   4.0140   1.7360   3.1720   1.5080 0.8425000 2.299000 
1 1 1    1   29   13 o   4.2370   1.2570   4.7630   1.8700   3.7110   1.6790 1.052000 2.513000 
1 1 1    1   29   14 o   3.3850   1.1210   3.2940   1.5520   3.4750   1.6170 -0.1809000 2.241000 
1 1 1    1   29   15 o   5.8060   1.4100   5.5130   1.9590   6.0990   2.0290 -0.5864000 2.820000 
1 1 1    1   29   16 o   3.5880   1.1550   4.1420   1.7770   3.0340   1.4750 1.108000 2.309000 
1 1 1    1   29   17 o   5.3730   1.3870   5.7100   1.9610   5.0360   1.9620 0.6733000 2.774000 
1 1 1    1   29   18 o   3.3970   1.1430   3.7170   1.7180   3.0770   1.5080 0.6400000 2.286000 
1 1 1    1   29   19 o   2.8680   1.0170   3.1980   1.5690   2.5380   1.2950 0.6609000 2.034000 
1 1 1    1   29   20 o   2.5500   0.9059   2.8740   1.4100   2.2250   1.1380 0.6487000 1.812000 
1 1 1    1   29   21 f   2.9350   1.0310   2.5190   1.2990   3.3510   1.6020 -0.8315000 2.062000 
1 1 1    1   31    0 o   15.050   0.7296   15.610   0.9945   14.480   1.0680 1.128000 1.459000 
1 1 1    1   31    1 o   16.800   0.6651   15.930   0.9802   17.670   0.8993 -1.743000 1.330000 
1 1 1    1   31    2 o   5.8260   1.2670   4.3400   1.8000   7.3120   1.7830 -2.972000 2.534000 
1 1 1    1   31    3 o   5.3630   1.3550   6.1880   1.9130   4.5380   1.9200 1.649000 2.710000 
1 1 1    1   31    4 o   15.000   0.6537   15.030   0.9226   14.960   0.9264 0.7828000E-01 1.307000 
1 1 1    1   31    5 o   13.050   0.7531   13.720   1.0140   12.380   1.1130 1.342000 1.506000 
1 1 1    1   31    6 o   5.4700   1.3700   5.5750   1.9280   5.3640   1.9470 0.2115000 2.740000 
1 1 1    1   31    7 o   4.3450   1.2780   3.8570   1.7060   4.8330   1.9040 -0.9763000 2.557000 
1 1 1    1   31    8 o   7.0100   1.3160   7.4940   1.7770   6.5270   1.9400 0.9672000 2.631000 
1 1 1    1   31    9 o   8.3440   1.1780   6.3400   1.9170   10.350   1.3680 -4.006000 2.356000 
1 1 1    1   31   10 o   6.0980   1.3740   5.8550   1.9250   6.3420   1.9610 -0.4866000 2.748000 
1 1 1    1   31   11 o   4.8940   1.3280   4.0930   1.7590   5.6950   1.9890 -1.603000 2.655000 
1 1 1    1   31   12 o   7.9690   1.2280   7.4550   1.7540   8.4820   1.7190 -1.028000 2.456000 
1 1 1    1   31   13 o   4.3290   1.2840   4.0850   1.7490   4.5730   1.8800 -0.4880000 2.568000 
1 1 1    1   31   14 o   5.5170   1.3940   6.6800   2.0310   4.3540   1.9090 2.326000 2.788000 
1 1 1    1   31   15 o   2.7000   0.9658   2.6670   1.3490   2.7320   1.3830 -0.6540000E-01 1.932000 
1 1 1    1   31   16 o   2.4380   0.8735   2.2450   1.1450   2.6300   1.3200 -0.3854000 1.747000 
1 1 1    1   31   17 o   2.8290   0.9741   2.3840   1.1960   3.2740   1.5380 -0.8895000 1.948000 
1 1 1    1   33    0 o   5.6950   1.2630   7.1840   1.7700   4.2060   1.8010 2.978000 2.525000 
1 1 1    1   33    1 o   5.0390   1.3520   5.1060   1.8860   4.9710   1.9380 0.1351000 2.704000 
1 1 1    1   33    2 o   8.0240   1.2140   9.2930   1.4480   6.7550   1.9490 2.538000 2.429000 
1 1 1    1   33    3 f   4.1090   1.2180   4.9370   1.8750   3.2820   1.5570 1.655000 2.437000 
1 1 1    1   33    4 o   4.1020   1.1890   5.4090   1.9240   2.7950   1.3960 2.613000 2.378000 
1 1 1    1   33    5 o   4.3440   1.2860   4.5340   1.8360   4.1540   1.8010 0.3799000 2.572000 
1 1 1    1   33    6 o   3.4960   1.1330   3.9580   1.7290   3.0340   1.4660 0.9242000 2.267000 
1 1 1    1   33    7 o   4.5640   1.3080   4.9000   1.8860   4.2270   1.8150 0.6728000 2.617000 
1 1 1    1   33    8 o   3.2780   1.1360   3.3750   1.6430   3.1810   1.5700 0.1943000 2.273000 
1 1 1    1   33    9 o   2.5850   0.9275   2.5710   1.3050   2.5980   1.3190 -0.2635000E-01 1.855000 
1 1 1    1   33   10 o   2.6890   0.9589   2.6400   1.3340   2.7370   1.3780 -0.9654000E-01 1.918000 
1 1 1    1   33   11 o   3.0310   1.0540   2.8170   1.4120   3.2450   1.5640 -0.4283000 2.107000 
1 1 1    1   33   12 o   2.7890   0.9602   2.9770   1.4240   2.6000   1.2880 0.3775000 1.920000 
1 1 1    1   33   13 f   1.8640   0.9708  ?   ?    1.8640   0.9708      ?      ? 
1 1 1    1   35    0 o   2.6780   0.9401   2.5430   1.2900   2.8130   1.3680 -0.2708000 1.880000 
1 1 1    1   35    1 o   5.3000   1.4340   6.3080   2.2450   4.2930   1.7860 2.015000 2.868000 
1 1 1    1   35    2 o   2.6670   0.9432   2.8070   1.4070   2.5270   1.2570 0.2795000 1.886000 
1 1 1    1   35    3 o   2.4840   0.8897   2.4630   1.2550   2.5050   1.2610 -0.4224000E-01 1.779000 
1 1 1    2    0    1 o  228.100   2.0270  228.100   2.0270  228.100   2.0270 0.000000 0.000000 
1 1 1    2    0    2 o  203.700   1.8080  203.700   1.8080  203.700   1.8080 -0.000000 0.000000 
1 1 1    2    0    3 o   89.220   0.7923   89.220   0.7923   89.220   0.7923 -0.000000 0.000000 
1 1 1    2    0    4 o   91.600   1.1530   91.600   1.1530   91.600   1.1530 0.000000 0.000000 
1 1 1    2    0    5 o   31.170   0.4163   31.170   0.4163   31.170   0.4163 -0.000000 0.000000 
1 1 1    2    0    6 o   7.2690   0.4734   7.2690   0.4734   7.2690   0.4734 -0.000000 0.000000 
1 1 1    2    0    7 o   63.760   0.5728   63.760   0.5728   63.760   0.5728 0.000000 0.000000 
1 1 1    2    0    8 f  138.000   1.2260  138.000   1.2260  138.000   1.2260 -0.000000 0.000000 
1 1 1    2    0    9 o  103.000   1.3010  103.000   1.3010  103.000   1.3010 0.000000 0.000000 
1 1 1    2    0   10 o   11.610   0.5472   11.610   0.5472   11.610   0.5472 -0.000000 0.000000 
1 1 1    2    0   11 o   14.340   0.3548   14.340   0.3548   14.340   0.3548 0.000000 0.000000 
1 1 1    2    0   12 o   40.460   0.3953   40.460   0.3953   40.460   0.3953 -0.000000 0.000000 
1 1 1    2    0   13 o   1.3790   0.9704   1.3790   0.9704   1.3790   0.9704 -0.000000 0.000000 
1 1 1    2    0   14 o   33.130   0.3670   33.130   0.3670   33.130   0.3670 -0.000000 0.000000 
1 1 1    2    0   15 o   68.170   0.6238   68.170   0.6238   68.170   0.6238 0.000000 0.000000 
1 1 1    2    0   16 o   61.300   0.5748   61.300   0.5748   61.300   0.5748 -0.000000 0.000000 
1 1 1    2    0   17 o   29.070   0.4200   29.070   0.4200   29.070   0.4200 -0.000000 0.000000 
1 1 1    2    0   18 o   43.670   0.6460   43.670   0.6460   43.670   0.6460 -0.000000 0.000000 
1 1 1    2    0   19 o   21.480   0.7026   21.480   0.7026   21.480   0.7026 -0.000000 0.000000 
1 1 1    2    0   20 o   14.260   0.7480   14.260   0.7480   14.260   0.7480 0.000000 0.000000 
1 1 1    2    0   21 o   7.8120   1.6030   7.8120   1.6030   7.8120   1.6030 -0.000000 0.000000 
1 1 1    2    0   22 o   2.6190   1.6960   2.6190   1.6960   2.6190   1.6960 -0.000000 0.000000 
1 1 1    2    0   23 o   25.850   0.7655   25.850   0.7655   25.850   0.7655 -0.000000 0.000000 
1 1 1    2    0   24 o   20.190   0.5448   20.190   0.5448   20.190   0.5448 0.000000 0.000000 
1 1 1    2    0   25 o   2.5030   1.6390   2.5030   1.6390   2.5030   1.6390 -0.000000 0.000000 
1 1 1    2    0   26 o   5.7940   1.8910   5.7940   1.8910   5.7940   1.8910 -0.000000 0.000000 
1 1 1    2    0   27 o   24.110   0.4913   24.110   0.4913   24.110   0.4913 -0.000000 0.000000 
1 1 1    2    0   28 o   13.090   0.7809   13.090   0.7809   13.090   0.7809 -0.000000 0.000000 
1 1 1    2    0   29 o   4.1200   2.0610   4.1200   2.0610   4.1200   2.0610 0.000000 0.000000 
1 1 1    2    0   30 f   7.7480   1.6410   7.7480   1.6410   7.7480   1.6410 0.000000 0.000000 
1 1 1    2    0   31 o   2.3740   1.6530   2.3740   1.6530   2.3740   1.6530 0.000000 0.000000 
1 1 1    2    0   32 o   5.1080   2.2630   5.1080   2.2630   5.1080   2.2630 0.000000 0.000000 
1 1 1    2    0   33 o   4.3630   2.2830   4.3630   2.2830   4.3630   2.2830 0.000000 0.000000 
1 1 1    2    0   34 o   3.9080   2.2320   3.9080   2.2320   3.9080   2.2320 -0.000000 0.000000 
1 1 1    2    0   35 o   5.2910   2.8550   5.2910   2.8550   5.2910   2.8550 0.000000 0.000000 
1 1 1    2    0   36 o   3.7660   2.1840   3.7660   2.1840   3.7660   2.1840 -0.000000 0.000000 
1 1 1    2    0   37 o   1.4920   1.1050   1.4920   1.1050   1.4920   1.1050 0.000000 0.000000 
1 1 1    2    2    0 o   39.030   0.2485   39.170   0.3525   38.900   0.3502 0.2696000 0.4969000 
1 1 1    2    2    1 f   58.740   0.4006   58.340   0.5208   59.130   0.6087 -0.7966000 0.8011000 
1 1 1    2    2    2 o  144.600   0.9089  144.800   1.2870  144.500   1.2840 0.2863000 1.818000 
1 1 1    2    2    3 o   20.590   0.1756   20.490   0.2471   20.690   0.2497 -0.1993000 0.3513000 
1 1 1    2    2    4 o   61.160   0.5489   61.380   0.7787   60.930   0.7739 0.4508000 1.098000 
1 1 1    2    2    5 o   41.540   0.2699   41.320   0.3797   41.770   0.3837 -0.4435000 0.5398000 
1 1 1    2    2    6 o   62.270   0.3958   62.430   0.5613   62.110   0.5583 0.3258000 0.7916000 
1 1 1    2    2    7 o   18.280   0.1836   18.130   0.2598   18.430   0.2595 -0.3053000 0.3672000 
1 1 1    2    2    8 o   83.480   0.5282   83.640   0.7482   83.320   0.7457 0.3203000 1.056000 
1 1 1    2    2    9 f   86.250   0.7741   86.160   1.0940   86.340   1.0960 -0.1778000 1.548000 
1 1 1    2    2   10 o   60.360   0.5507   60.410   0.7796   60.310   0.7781 0.9233000E-01 1.101000 
1 1 1    2    2   11 o   22.890   0.2199   22.810   0.3083   22.980   0.3136 -0.1683000 0.4398000 
1 1 1    2    2   12 o   28.580   0.2351   28.650   0.3325   28.510   0.3324 0.1414000 0.4701000 
1 1 1    2    2   13 o   7.0540   0.5605   7.0020   0.7903   7.1070   0.7949 -0.1051000 1.121000 
1 1 1    2    2   14 o   14.740   0.3461   14.710   0.5191   14.760   0.4580 -0.5021000E-01 0.6922000 
1 1 1    2    2   15 o   40.560   0.2961   40.640   0.4181   40.480   0.4193 0.1675000 0.5922000 
1 1 1    2    2   16 f   18.810   0.3500   17.860   0.5221   19.750   0.4664 -1.884000 0.7000000 
1 1 1    2    2   17 o   17.590   0.3953   17.150   0.5932   18.030   0.5227 -0.8835000 0.7907000 
1 1 1    2    2   18 o   22.730   0.4388   22.480   0.6237   22.980   0.6173 -0.5020000 0.8775000 
1 1 1    2    2   19 o   34.130   0.3306   34.210   0.4691   34.060   0.4661 0.1481000 0.6613000 
1 1 1    2    2   20 o   31.060   0.3309   31.350   0.4613   30.770   0.4744 0.5830000 0.6617000 
1 1 1    2    2   21 o   22.020   0.3867   21.720   0.5312   22.330   0.5621 -0.6053000 0.7734000 
1 1 1    2    2   22 o   34.450   0.3297   34.700   0.4616   34.200   0.4708 0.5004000 0.6593000 
1 1 1    2    2   23 o   9.9070   1.1670   10.350   1.5490   9.4650   1.7460 0.8856000 2.334000 
1 1 1    2    2   24 o   4.9440   1.1700   4.3960   1.6230   5.4930   1.6860 -1.097000 2.340000 
1 1 1    2    2   25 o   17.380   0.4391   16.990   0.6248   17.770   0.6172 -0.7710000 0.8782000 
1 1 1    2    2   26 o   12.730   0.5593   12.530   0.7959   12.930   0.7861 -0.3967000 1.119000 
1 1 1    2    2   27 o   3.1900   1.0180   2.9790   1.3810   3.4000   1.4960 -0.4216000 2.036000 
1 1 1    2    2   28 o   9.7770   0.7392   9.8000   1.0350   9.7550   1.0560 0.4552000E-01 1.478000 
1 1 1    2    2   29 o   3.5070   1.0800   3.4600   1.5090   3.5550   1.5450 -0.9491000E-01 2.160000 
1 1 1    2    2   30 o   3.4590   1.0790   3.2020   1.4550   3.7160   1.5930 -0.5142000 2.157000 
1 1 1    2    2   31 o   3.7680   1.2040   4.5520   1.9200   2.9830   1.4520 1.570000 2.407000 
1 1 1    2    2   32 o   5.2140   1.2720   5.9610   1.8160   4.4670   1.7800 1.494000 2.543000 
1 1 1    2    2   33 o   3.2390   1.0760   3.8250   1.7040   2.6520   1.3140 1.173000 2.152000 
1 1 1    2    2   34 o   3.8320   1.2130   3.9660   1.7480   3.6970   1.6820 0.2695000 2.426000 
1 1 1    2    2   35 o   3.6650   1.2540   3.8440   1.8290   3.4860   1.7160 0.3579000 2.508000 
1 1 1    2    2   36 o   2.9360   1.0090   2.9940   1.4510   2.8790   1.4040 0.1147000 2.019000 
1 1 1    2    2   37 o   4.2400   1.2690   3.9380   1.7320   4.5420   1.8550 -0.6040000 2.538000 
1 1 1    2    4    0 f   39.050   0.2934   39.220   0.4168   38.880   0.4130 0.3462000 0.5867000 
1 1 1    2    4    1 o   60.230   0.5406   59.700   0.7584   60.750   0.7706 -1.049000 1.081000 
1 1 1    2    4    2 o   27.900   0.2823   27.930   0.3989   27.880   0.3997 0.5586000E-01 0.5647000 
1 1 1    2    4    3 o   81.680   0.5959   81.870   0.8445   81.500   0.8409 0.3677000 1.192000 
1 1 1    2    4    4 o  151.800   0.9545  151.800   1.3500  151.800   1.3500 0.2777000E-02 1.909000 
1 1 1    2    4    5 o   84.410   0.5332   84.380   0.7537   84.440   0.7543 -0.6058000E-01 1.066000 
1 1 1    2    4    6 o   53.460   0.3457   54.070   0.4939   52.840   0.4839 1.225000 0.6914000 
1 1 1    2    4    7 o   84.470   0.5345   84.640   0.7573   84.310   0.7545 0.3341000 1.069000 
1 1 1    2    4    8 o   77.470   0.6366   77.530   0.9871   77.400   0.8042 0.1331000 1.273000 
1 1 1    2    4    9 o   56.050   0.5152   56.040   0.7285   56.070   0.7287 -0.2740000E-01 1.030000 
1 1 1    2    4   10 o   24.030   0.2208   24.020   0.3079   24.050   0.3166 -0.3725000E-01 0.4416000 
1 1 1    2    4   11 o   21.930   0.2319   22.020   0.3210   21.840   0.3348 0.1822000 0.4639000 
1 1 1    2    4   12 o   20.490   0.2423   20.370   0.3381   20.600   0.3472 -0.2310000 0.4846000 
1 1 1    2    4   13 o   37.390   0.2745   37.400   0.3873   37.380   0.3890 0.1838000E-01 0.5489000 
1 1 1    2    4   14 o   15.570   0.3152   15.890   0.4269   15.250   0.4639 0.6379000 0.6305000 
1 1 1    2    4   15 o   48.630   0.3379   48.510   0.4755   48.750   0.4801 -0.2436000 0.6758000 
1 1 1    2    4   16 o   34.750   0.2918   34.540   0.4081   34.960   0.4172 -0.4196000 0.5836000 
1 1 1    2    4   17 o   98.990   0.6321   98.820   0.8920   99.160   0.8958 -0.3381000 1.264000 
1 1 1    2    4   18 o   42.560   0.4666   42.290   0.6501   42.820   0.6695 -0.5334000 0.9332000 
1 1 1    2    4   19 o   60.170   0.4147   59.760   0.5821   60.580   0.5908 -0.8181000 0.8294000 
1 1 1    2    4   20 o   32.870   0.3340   33.250   0.4649   32.500   0.4796 0.7564000 0.6680000 
1 1 1    2    4   21 o   21.030   0.4012   20.800   0.5483   21.270   0.5859 -0.4715000 0.8024000 
1 1 1    2    4   22 o   13.570   0.5812   13.540   0.7909   13.590   0.8519 -0.4522000E-01 1.162000 
1 1 1    2    4   23 o   17.950   0.6500   18.010   0.9102   17.900   0.9283 0.1157000 1.300000 
1 1 1    2    4   24 o   6.4190   1.0830   6.6030   1.5040   6.2340   1.5590 0.3691000 2.166000 
1 1 1    2    4   25 o   5.5090   1.1330   4.6090   1.6440   6.4100   1.5600 -1.801000 2.267000 
1 1 1    2    4   26 o   10.170   0.7052   10.500   0.9493   9.8340   1.0430 0.6704000 1.410000 
1 1 1    2    4   27 f   14.590   0.5088   15.110   0.6753   14.060   0.7614 1.044000 1.018000 
1 1 1    2    4   28 o   9.0460   0.8203   7.8030   1.2820   10.290   1.0230 -2.487000 1.641000 
1 1 1    2    4   29 o   11.470   0.6658   11.380   0.9273   11.560   0.9556 -0.1734000 1.332000 
1 1 1    2    4   30 o   13.860   0.5758   13.790   0.7899   13.920   0.8380 -0.1342000 1.152000 
1 1 1    2    4   31 o   5.1330   1.4280   4.1620   1.8560   6.1040   2.1700 -1.942000 2.856000 
1 1 1    2    4   32 o   4.3460   1.1710   5.6460   1.8350   3.0460   1.4550 2.600000 2.342000 
1 1 1    2    4   33 o   3.9460   1.2150   3.4440   1.5880   4.4490   1.8390 -1.005000 2.430000 
1 1 1    2    4   34 o   5.1410   1.3770   5.4020   1.9380   4.8800   1.9550 0.5216000 2.753000 
1 1 1    2    4   35 o   3.4590   1.1980   3.8000   1.8180   3.1180   1.5620 0.6822000 2.397000 
1 1 1    2    4   36 o   2.8890   1.0010   3.0120   1.4650   2.7660   1.3660 0.2468000 2.003000 
1 1 1    2    4   37 o   2.2140   0.7964   2.1710   1.1060   2.2580   1.1460 -0.8703000E-01 1.593000 
1 1 1    2    6    0 o   60.270   0.3853   60.350   0.5454   60.200   0.5443 0.1556000 0.7705000 
1 1 1    2    6    1 o   65.500   0.4175   65.280   0.5884   65.730   0.5925 -0.4513000 0.8350000 
1 1 1    2    6    2 o   33.230   0.2368   33.260   0.3339   33.210   0.3357 0.4791000E-01 0.4735000 
1 1 1    2    6    3 o  101.200   0.6389  100.500   0.8969  101.900   0.9101 -1.372000 1.278000 
1 1 1    2    6    4 o   70.490   0.4494   70.660   0.6367   70.310   0.6345 0.3448000 0.8989000 
1 1 1    2    6    5 o  109.700   0.6918  110.100   0.9820  109.300   0.9746 0.8656000 1.384000 
1 1 1    2    6    6 o   78.080   0.4965   78.460   0.7055   77.690   0.6989 0.7663000 0.9930000 
1 1 1    2    6    7 o   39.430   0.3871   39.660   0.5499   39.200   0.5450 0.4572000 0.7742000 
1 1 1    2    6    8 o   23.530   0.4498  ?   ?    23.530   0.4498      ?      ? 
1 1 1    2    6    9 o   37.760   0.2682   37.310   0.3758   38.210   0.3829 -0.8976000 0.5365000 
1 1 1    2    6   10 o   2.9650   0.8375   2.7870   1.1550   3.1420   1.2130 -0.3548000 1.675000 
1 1 1    2    6   11 o   63.040   0.4094   62.910   0.5776   63.170   0.5803 -0.2595000 0.8187000 
1 1 1    2    6   12 f   29.530   0.2779   28.790   0.3528   30.270   0.4296 -1.478000 0.5559000 
1 1 1    2    6   13 o   22.070   0.2679   22.360   0.3714   21.780   0.3861 0.5805000 0.5357000 
1 1 1    2    6   14 o   50.910   0.3489   51.320   0.4952   50.510   0.4915 0.8115000 0.6977000 
1 1 1    2    6   15 o   43.550   0.3200   43.390   0.4476   43.710   0.4573 -0.3188000 0.6399000 
1 1 1    2    6   16 o   30.940   0.2977   31.120   0.4143   30.770   0.4274 0.3580000 0.5953000 
1 1 1    2    6   17 o   62.450   0.5909   62.650   0.8345   62.250   0.8368 0.4082000 1.182000 
1 1 1    2    6   18 f   31.300   0.4132   30.850   0.6141   31.750   0.5529 -0.9065000 0.8264000 
1 1 1    2    6   19 o   40.060   0.3408   39.820   0.4736   40.300   0.4901 -0.4808000 0.6816000 
1 1 1    2    6   20 o   10.560   0.7553   10.330   1.0590   10.790   1.0770 -0.4627000 1.511000 
1 1 1    2    6   21 o   33.300   0.3600   33.710   0.5291   32.890   0.4884 0.8280000 0.7200000 
1 1 1    2    6   22 o   21.800   0.5739   22.000   0.7560   21.610   0.8638 0.3904000 1.148000 
1 1 1    2    6   23 o   7.3880   1.1660   7.3930   1.6270   7.3830   1.6710 0.1085000E-01 2.333000 
1 1 1    2    6   24 o   2.9790   0.9793   3.0930   1.4140   2.8650   1.3550 0.2273000 1.959000 
1 1 1    2    6   25 o   6.9260   1.0250   6.2270   1.5440   7.6250   1.3490 -1.398000 2.050000 
1 1 1    2    6   26 o   4.2140   1.1470   3.8590   1.5480   4.5690   1.6920 -0.7099000 2.294000 
1 1 1    2    6   27 o   17.110   0.4443   17.500   0.6018   16.710   0.6537 0.7854000 0.8885000 
1 1 1    2    6   28 o   8.0960   0.9581   6.4110   1.5780   9.7810   1.0870 -3.370000 1.916000 
1 1 1    2    6   29 o   5.7020   1.2320   5.5390   1.7080   5.8660   1.7770 -0.3271000 2.465000 
1 1 1    2    6   30 o   5.8740   1.4570   6.1290   2.0290   5.6180   2.0910 0.5110000 2.914000 
1 1 1    2    6   31 o   3.6350   1.1690   3.8890   1.7030   3.3800   1.6020 0.5090000 2.338000 
1 1 1    2    6   32 o   6.8690   1.2640   6.2560   1.8470   7.4820   1.7250 -1.225000 2.528000 
1 1 1    2    6   33 o   5.0450   1.3350   5.5860   1.9190   4.5050   1.8580 1.082000 2.671000 
1 1 1    2    6   34 o   3.6880   1.2190   3.7960   1.7370   3.5810   1.7110 0.2143000 2.438000 
1 1 1    2    6   35 o   3.4820   1.1510   4.5120   1.9360   2.4520   1.2460 2.060000 2.302000 
1 1 1    2    6   36 o   2.7090   0.9470   2.7740   1.3670   2.6450   1.3110 0.1289000 1.894000 
1 1 1    2    8    0 o   14.720   0.2712   14.660   0.3859   14.790   0.3811 -0.1253000 0.5424000 
1 1 1    2    8    1 o   56.130   0.3646   56.190   0.5161   56.070   0.5151 0.1170000 0.7292000 
1 1 1    2    8    2 o   69.590   0.4455   69.960   0.6333   69.220   0.6268 0.7359000 0.8910000 
1 1 1    2    8    3 o   67.620   0.4341   68.060   0.6174   67.190   0.6104 0.8667000 0.8682000 
1 1 1    2    8    4 o   54.700   0.4140   55.210   0.5907   54.190   0.5803 1.024000 0.8280000 
1 1 1    2    8    5 o   40.620   0.4024   40.570   0.5711   40.670   0.5670 -0.1013000 0.8048000 
1 1 1    2    8    6 o   34.420   0.3650   34.620   0.5190   34.210   0.5133 0.4165000 0.7299000 
1 1 1    2    8    7 o   15.010   0.2928   15.030   0.4132   14.990   0.4151 0.4025000E-01 0.5857000 
1 1 1    2    8    8 o   32.640   0.2567   33.100   0.3648   32.180   0.3613 0.9274000 0.5134000 
1 1 1    2    8    9 o   56.610   0.3737   56.490   0.5269   56.730   0.5300 -0.2349000 0.7474000 
1 1 1    2    8   10 o   29.440   0.2804   29.080   0.3590   29.790   0.4309 -0.7114000 0.5609000 
1 1 1    2    8   11 o   26.710   0.2618   27.100   0.3687   26.320   0.3719 0.7742000 0.5237000 
1 1 1    2    8   12 o   52.330   0.3550   52.260   0.5007   52.390   0.5033 -0.1386000 0.7100000 
1 1 1    2    8   13 o   71.410   0.4643   71.520   0.6568   71.310   0.6565 0.2101000 0.9287000 
1 1 1    2    8   14 o   74.980   0.4879   75.110   0.6904   74.850   0.6895 0.2655000 0.9757000 
1 1 1    2    8   15 o   25.010   0.3133   25.040   0.4406   24.980   0.4456 0.5729000E-01 0.6266000 
1 1 1    2    8   16 f   52.190   0.5188   52.130   0.7306   52.250   0.7367 -0.1211000 1.038000 
1 1 1    2    8   17 o   27.560   0.4744   27.450   0.6623   27.660   0.6794 -0.2117000 0.9488000 
1 1 1    2    8   18 o   15.430   0.5273   15.380   0.7279   15.480   0.7632 -0.1013000 1.055000 
1 1 1    2    8   19 o   8.9960   0.9039   8.2390   1.3130   9.7540   1.2430 -1.515000 1.808000 
1 1 1    2    8   20 o   28.030   0.3536   28.030   0.4871   28.020   0.5126 0.8371000E-02 0.7071000 
1 1 1    2    8   21 o   15.990   0.6166   16.510   0.7374   15.470   0.9885 1.034000 1.233000 
1 1 1    2    8   22 o   10.170   1.1040   9.9810   1.5060   10.360   1.6140 -0.3753000 2.207000 
1 1 1    2    8   23 o   13.000   0.5639   13.520   0.7198   12.480   0.8683 1.042000 1.128000 
1 1 1    2    8   24 o   5.0330   1.1850   4.9380   1.6500   5.1290   1.7020 -0.1909000 2.370000 
1 1 1    2    8   25 o   3.7050   1.0700   2.8200   1.3210   4.5890   1.6840 -1.769000 2.141000 
1 1 1    2    8   26 o   6.7050   1.0590   7.4450   1.3480   5.9650   1.6330 1.481000 2.117000 
1 1 1    2    8   27 o   6.3060   1.0690   7.8670   1.2850   4.7460   1.7090 3.121000 2.138000 
1 1 1    2    8   28 f   12.660   0.6141   13.400   0.7688   11.920   0.9578 1.486000 1.228000 
1 1 1    2    8   29 o   4.2440   1.1870   3.6290   1.5690   4.8590   1.7800 -1.230000 2.373000 
1 1 1    2    8   30 o   7.5100   1.4390   7.9080   1.8800   7.1120   2.1800 0.7958000 2.878000 
1 1 1    2    8   31 o   3.8640   1.1610   2.9500   1.4190   4.7790   1.8390 -1.829000 2.323000 
1 1 1    2    8   32 o   7.9070   1.2200   7.2990   1.7860   8.5150   1.6630 -1.217000 2.440000 
1 1 1    2    8   33 o   4.9150   1.3370   5.6400   1.9520   4.1900   1.8290 1.450000 2.675000 
1 1 1    2    8   34 o   5.2770   1.5840   4.4230   2.0160   6.1300   2.4440 -1.707000 3.169000 
1 1 1    2    8   35 o   3.4510   1.1410   3.4710   1.6200   3.4320   1.6080 0.3954000E-01 2.282000 
1 1 1    2    8   36 o   2.8310   0.9806   2.8800   1.4050   2.7810   1.3680 0.9837000E-01 1.961000 
1 1 1    2   10    0 o   43.160   0.4200   42.610   0.5890   43.710   0.5990 -1.096000 0.8401000 
1 1 1    2   10    1 o   58.770   0.5422   59.800   0.7785   57.740   0.7549 2.063000 1.084000 
1 1 1    2   10    2 o   57.050   0.4318   56.900   0.6092   57.200   0.6122 -0.3018000 0.8637000 
1 1 1    2   10    3 o   61.690   0.4339   61.940   0.6572   61.430   0.5668 0.5147000 0.8678000 
1 1 1    2   10    4 o   41.550   0.2939   42.000   0.4183   41.100   0.4131 0.9018000 0.5879000 
1 1 1    2   10    5 o   20.330   0.2710   20.330   0.3853   20.320   0.3811 0.1354000E-01 0.5420000 
1 1 1    2   10    6 o   30.850   0.2622   31.140   0.3712   30.560   0.3704 0.5793000 0.5244000 
1 1 1    2   10    7 o   21.480   0.2763   21.620   0.3879   21.340   0.3936 0.2789000 0.5527000 
1 1 1    2   10    8 o   36.570   0.2826   36.690   0.3997   36.440   0.3994 0.2481000 0.5651000 
1 1 1    2   10    9 o   5.4220   0.9022   4.2680   1.4050   6.5760   1.1330 -2.308000 1.804000 
1 1 1    2   10   10 o   11.400   0.4662   10.950   0.6796   11.860   0.6384 -0.9090000 0.9324000 
1 1 1    2   10   11 o   27.970   0.2999   28.360   0.4416   27.580   0.4059 0.7892000 0.5998000 
1 1 1    2   10   12 o   32.410   0.2964   32.470   0.4162   32.350   0.4221 0.1190000 0.5927000 
1 1 1    2   10   13 o   71.430   0.4688   71.890   0.6670   70.960   0.6589 0.9235000 0.9376000 
1 1 1    2   10   14 o   42.580   0.3313   42.790   0.4678   42.370   0.4693 0.4169000 0.6627000 
1 1 1    2   10   15 o   68.620   0.6449   68.510   0.9092   68.730   0.9149 -0.2170000 1.290000 
1 1 1    2   10   16 o   31.130   0.4703   31.060   0.6525   31.210   0.6776 -0.1436000 0.9406000 
1 1 1    2   10   17 o   21.400   0.4111   21.260   0.5746   21.530   0.5880 -0.2701000 0.8221000 
1 1 1    2   10   18 o   13.550   0.6106   13.580   0.8320   13.520   0.8940 0.6413000E-01 1.221000 
1 1 1    2   10   19 o   6.5250   1.1810   7.2220   1.5070   5.8280   1.8190 1.394000 2.363000 
1 1 1    2   10   20 o   9.4830   0.8902   10.170   1.0650   8.8010   1.4270 1.365000 1.780000 
1 1 1    2   10   21 o   14.770   0.7832   14.930   1.0200   14.610   1.1890 0.3222000 1.566000 
1 1 1    2   10   22 o   10.570   0.6977   9.9410   0.9939   11.200   0.9796 -1.260000 1.395000 
1 1 1    2   10   23 o   3.7100   1.0910   2.9700   1.3640   4.4510   1.7020 -1.481000 2.181000 
1 1 1    2   10   24 o   11.200   0.6485   11.480   0.8343   10.930   0.9931 0.5519000 1.297000 
1 1 1    2   10   25 o   8.9760   0.8329   7.6980   1.2820   10.250   1.0640 -2.555000 1.666000 
1 1 1    2   10   26 o   10.450   0.6952   10.330   0.9216   10.570   1.0410 -0.2398000 1.390000 
1 1 1    2   10   27 o   9.3910   0.8096   9.6350   1.0740   9.1470   1.2120 0.4887000 1.619000 
1 1 1    2   10   28 o   11.840   0.6752   11.450   0.9512   12.230   0.9585 -0.7708000 1.350000 
1 1 1    2   10   29 o   14.920   0.8002   14.940   1.0730   14.900   1.1880 0.3629000E-01 1.600000 
1 1 1    2   10   30 o   5.4490   1.3670   5.4190   1.8630   5.4790   2.0010 -0.5946000E-01 2.734000 
1 1 1    2   10   31 o   4.9460   1.3300   4.4450   1.8050   5.4470   1.9530 -1.002000 2.660000 
1 1 1    2   10   32 o   6.1300   1.3610   4.3910   1.8200   7.8690   2.0240 -3.478000 2.722000 
1 1 1    2   10   33 o   6.9500   1.4120   8.5900   1.8210   5.3090   2.1580 3.281000 2.824000 
1 1 1    2   10   34 o   3.7230   1.2320   3.4740   1.6600   3.9730   1.8220 -0.4990000 2.465000 
1 1 1    2   10   35 o   2.5750   0.9084   2.6200   1.3040   2.5300   1.2650 0.8934000E-01 1.817000 
1 1 1    2   12    0 o   31.760   0.2653   32.210   0.3767   31.310   0.3738 0.8932000 0.5307000 
1 1 1    2   12    1 o   26.090   0.2640   26.480   0.3736   25.700   0.3732 0.7830000 0.5281000 
1 1 1    2   12    2 o   26.350   0.2645   26.600   0.3736   26.100   0.3743 0.5013000 0.5289000 
1 1 1    2   12    3 o   49.580   0.3665   49.450   0.4782   49.710   0.5556 -0.2556000 0.7330000 
1 1 1    2   12    4 o   30.230   0.2695   30.250   0.3792   30.200   0.3832 0.5391000E-01 0.5391000 
1 1 1    2   12    5 o   76.430   0.4930   76.630   0.6986   76.230   0.6958 0.4030000 0.9860000 
1 1 1    2   12    6 o   60.180   0.3998   60.230   0.5655   60.130   0.5652 0.9634000E-01 0.7995000 
1 1 1    2   12    7 o   54.680   0.3719   54.440   0.5244   54.920   0.5274 -0.4781000 0.7437000 
1 1 1    2   12    8 o   83.640   0.5382   83.860   0.7630   83.420   0.7594 0.4441000 1.076000 
1 1 1    2   12    9 o   60.120   0.4033   60.280   0.5702   59.960   0.5706 0.3240000 0.8067000 
1 1 1    2   12   10 o   33.000   0.3484   32.220   0.4717   33.790   0.5128 -1.574000 0.6967000 
1 1 1    2   12   11 o   15.370   0.4465   15.780   0.6026   14.960   0.6591 0.8279000 0.8930000 
1 1 1    2   12   12 o   31.130   0.3175   31.100   0.4418   31.160   0.4561 -0.5160000E-01 0.6350000 
1 1 1    2   12   13 o   30.880   0.4576   30.920   0.6522   30.840   0.6420 0.7221000E-01 0.9152000 
1 1 1    2   12   14 o   16.500   0.6712   16.620   0.9433   16.380   0.9551 0.2362000 1.342000 
1 1 1    2   12   15 o   9.4870   0.8809   9.1560   1.2770   9.8170   1.2140 -0.6611000 1.762000 
1 1 1    2   12   16 o   17.820   0.5037   18.120   0.6736   17.520   0.7490 0.5996000 1.007000 
1 1 1    2   12   17 o   19.390   0.4658   19.160   0.6336   19.620   0.6831 -0.4687000 0.9317000 
1 1 1    2   12   18 o   16.860   0.5040   17.270   0.6554   16.450   0.7659 0.8258000 1.008000 
1 1 1    2   12   19 o   18.710   0.5343   18.330   0.7159   19.090   0.7934 -0.7563000 1.069000 
1 1 1    2   12   20 o   16.600   0.7194   16.320   0.9595   16.880   1.0720 -0.5594000 1.439000 
1 1 1    2   12   21 o   3.1450   1.0100   2.5390   1.2340   3.7500   1.6000 -1.211000 2.021000 
1 1 1    2   12   22 o   23.810   0.3657   23.970   0.5030   23.650   0.5309 0.3246000 0.7313000 
1 1 1    2   12   23 o   9.2140   0.8005   9.5200   1.0460   8.9070   1.2120 0.6137000 1.601000 
1 1 1    2   12   24 o   10.290   0.7180   10.520   0.9377   10.060   1.0870 0.4581000 1.436000 
1 1 1    2   12   25 o   4.6950   1.1840   4.5630   1.6310   4.8270   1.7170 -0.2635000 2.368000 
1 1 1    2   12   26 f   22.320   0.4087   22.990   0.5795   21.640   0.5764 1.347000 0.8174000 
1 1 1    2   12   27 o   17.620   0.4726   17.380   0.6397   17.870   0.6959 -0.4907000 0.9452000 
1 1 1    2   12   28 o   5.0230   1.3520   4.3400   1.8360   5.7060   1.9840 -1.365000 2.703000 
1 1 1    2   12   29 o   3.2360   1.0660   3.5220   1.5780   2.9490   1.4330 0.5725000 2.132000 
1 1 1    2   12   30 o   3.9020   1.1880   4.3390   1.7520   3.4650   1.6050 0.8734000 2.376000 
1 1 1    2   12   31 o   5.9890   1.3650   5.3060   1.8960   6.6720   1.9650 -1.366000 2.730000 
1 1 1    2   12   32 o   5.4870   1.3740   6.0020   1.9220   4.9730   1.9630 1.030000 2.748000 
1 1 1    2   12   33 o   3.2900   1.1500   3.8630   1.8350   2.7170   1.3850 1.146000 2.299000 
1 1 1    2   12   34 o   2.6820   0.9376   2.9720   1.4390   2.3930   1.2020 0.5790000 1.875000 
1 1 1    2   12   35 o   2.1600   0.7792   2.2100   1.1210   2.1110   1.0830 0.9825000E-01 1.558000 
1 1 1    2   14    0 o   16.090   0.4107   16.730   0.5178   15.450   0.6377 1.283000 0.8215000 
1 1 1    2   14    1 o   22.140   0.4293   20.230   0.6236   24.060   0.5902 -3.833000 0.8586000 
1 1 1    2   14    2 o   49.980   0.3470   50.100   0.4918   49.870   0.4898 0.2317000 0.6941000 
1 1 1    2   14    3 f   53.040   0.3945   52.460   0.5120   53.620   0.6003 -1.161000 0.7890000 
1 1 1    2   14    4 o   19.440   0.3548   19.530   0.4985   19.350   0.5051 0.1778000 0.7097000 
1 1 1    2   14    5 o   31.880   0.3238   31.200   0.4186   32.550   0.4940 -1.357000 0.6475000 
1 1 1    2   14    6 o   48.810   0.3509   48.870   0.4939   48.750   0.4985 0.1145000 0.7018000 
1 1 1    2   14    7 o   31.330   0.3678   31.140   0.5000   31.520   0.5396 -0.3798000 0.7357000 
1 1 1    2   14    8 o   48.230   0.3541   48.250   0.5003   48.200   0.5014 0.5042000E-01 0.7083000 
1 1 1    2   14    9 o   40.950   0.3324   41.100   0.4700   40.790   0.4701 0.3079000 0.6647000 
1 1 1    2   14   10 o   21.540   0.3888   21.960   0.5302   21.130   0.5690 0.8278000 0.7777000 
1 1 1    2   14   11 f   35.170   0.4703   35.400   0.6596   34.940   0.6707 0.4588000 0.9407000 
1 1 1    2   14   12 o   40.400   0.4839   40.130   0.6757   40.670   0.6930 -0.5401000 0.9679000 
1 1 1    2   14   13 o   25.540   0.3879   25.450   0.5487   25.630   0.5484 -0.1711000 0.7757000 
1 1 1    2   14   14 o   35.320   0.3549   35.120   0.4908   35.520   0.5128 -0.3991000 0.7098000 
1 1 1    2   14   15 o   34.150   0.3550   34.380   0.4904   33.920   0.5133 0.4643000 0.7100000 
1 1 1    2   14   16 o   18.020   0.4882   17.950   0.6710   18.080   0.7091 -0.1318000 0.9763000 
1 1 1    2   14   17 o   18.870   0.4697   19.670   0.6060   18.070   0.7179 1.599000 0.9395000 
1 1 1    2   14   18 o   28.040   0.5239   27.350   0.7302   28.730   0.7514 -1.379000 1.048000 
1 1 1    2   14   19 o   11.300   0.8150   11.980   1.0850   10.620   1.2160 1.352000 1.630000 
1 1 1    2   14   20 f   10.220   0.7403   10.010   0.9940   10.430   1.0970 -0.4190000 1.481000 
1 1 1    2   14   21 o   36.710   0.3386   35.890   0.4744   37.530   0.4832 -1.643000 0.6772000 
1 1 1    2   14   22 o   21.020   0.4444   19.920   0.5682   22.130   0.6836 -2.209000 0.8889000 
1 1 1    2   14   23 o   5.1520   1.2140   5.3040   1.6680   5.0010   1.7630 0.3031000 2.427000 
1 1 1    2   14   24 o   13.930   0.5584   13.830   0.7577   14.030   0.8206 -0.2034000 1.117000 
1 1 1    2   14   25 o   4.2610   1.1800   3.6720   1.5580   4.8490   1.7730 -1.177000 2.360000 
1 1 1    2   14   26 o   5.8340   1.2180   4.8930   1.7450   6.7750   1.6990 -1.882000 2.435000 
1 1 1    2   14   27 o   10.600   0.9707   10.190   1.4110   11.010   1.3330 -0.8230000 1.941000 
1 1 1    2   14   28 o   6.9070   1.3310   7.3590   1.7460   6.4560   2.0100 0.9025000 2.662000 
1 1 1    2   14   29 o   4.2660   1.2410   3.4420   1.5780   5.0910   1.9150 -1.649000 2.481000 
1 1 1    2   14   30 o   3.5810   1.1580   2.8320   1.3820   4.3310   1.8590 -1.499000 2.317000 
1 1 1    2   14   31 f   5.7460   1.3910   5.8380   1.9220   5.6550   2.0120 0.1825000 2.782000 
1 1 1    2   14   32 o   3.5820   1.2340   3.3420   1.6350   3.8220   1.8480 -0.4803000 2.467000 
1 1 1    2   14   33 o   2.5120   0.8901   2.3020   1.1640   2.7230   1.3470 -0.4202000 1.780000 
1 1 1    2   14   34 o   2.2740   0.8137   2.3040   1.1630   2.2440   1.1380 0.5973000E-01 1.627000 
1 1 1    2   16    0 o  100.700   0.6436  100.800   0.9112  100.600   0.9092 0.2233000 1.287000 
1 1 1    2   16    1 o   58.420   0.3982   58.390   0.5627   58.450   0.5637 -0.6020000E-01 0.7965000 
1 1 1    2   16    2 o   47.590   0.3774   47.620   0.4939   47.570   0.5709 0.5830000E-01 0.7549000 
1 1 1    2   16    3 o   14.910   0.4932   15.740   0.6724   14.090   0.7216 1.648000 0.9863000 
1 1 1    2   16    4 o  121.400   0.7719  121.200   1.0890  121.600   1.0940 -0.4803000 1.544000 
1 1 1    2   16    5 o   44.360   0.3453   44.290   0.4875   44.420   0.4893 -0.1343000 0.6907000 
1 1 1    2   16    6 o   25.700   0.3611   25.850   0.5074   25.560   0.5140 0.2924000 0.7223000 
1 1 1    2   16    7 o   42.950   0.3970   42.890   0.5595   43.010   0.5634 -0.1224000 0.7940000 
1 1 1    2   16    8 o   47.400   0.5161   47.860   0.7360   46.930   0.7236 0.9337000 1.032000 
1 1 1    2   16    9 o   82.010   0.7631   81.680   1.0750   82.330   1.0830 -0.6486000 1.526000 
1 1 1    2   16   10 o   31.340   0.3706   30.780   0.5234   31.900   0.5248 -1.113000 0.7412000 
1 1 1    2   16   11 f   27.660   0.4292   27.340   0.5452   27.990   0.6630 -0.6514000 0.8584000 
1 1 1    2   16   12 o   24.170   0.4216   23.780   0.5906   24.570   0.6019 -0.7936000 0.8433000 
1 1 1    2   16   13 o   12.440   0.7323   11.800   1.0400   13.090   1.0310 -1.283000 1.465000 
1 1 1    2   16   14 o   8.0410   1.1160   8.4640   1.4250   7.6190   1.7180 0.8445000 2.232000 
1 1 1    2   16   15 o   20.350   0.4549   19.800   0.6417   20.900   0.6448 -1.103000 0.9097000 
1 1 1    2   16   16 o   25.510   0.5543   25.320   0.7563   25.700   0.8106 -0.3753000 1.109000 
1 1 1    2   16   17 o   37.560   0.4955   37.470   0.6861   37.640   0.7152 -0.1648000 0.9911000 
1 1 1    2   16   18 o   27.830   0.3557   27.590   0.4903   28.060   0.5154 -0.4702000 0.7113000 
1 1 1    2   16   19 o   16.390   0.4888   16.070   0.6650   16.710   0.7165 -0.6316000 0.9775000 
1 1 1    2   16   20 o   19.720   0.4217   19.480   0.5694   19.970   0.6223 -0.4902000 0.8435000 
1 1 1    2   16   21 o   15.170   0.5189   14.790   0.7249   15.540   0.7426 -0.7413000 1.038000 
1 1 1    2   16   22 o   7.4680   1.0230   7.1230   1.4550   7.8120   1.4380 -0.6892000 2.046000 
1 1 1    2   16   23 o   9.0080   0.8907   9.6050   1.0810   8.4110   1.4160 1.194000 1.781000 
1 1 1    2   16   24 o   6.6570   1.1760   5.6800   1.6850   7.6340   1.6400 -1.954000 2.352000 
1 1 1    2   16   25 o   3.5080   1.1040   3.8400   1.6380   3.1760   1.4820 0.6639000 2.209000 
1 1 1    2   16   26 o   5.8530   1.4320   4.3500   1.8780   7.3570   2.1630 -3.007000 2.864000 
1 1 1    2   16   27 o   5.8920   1.3350   6.9660   1.8560   4.8180   1.9190 2.148000 2.670000 
1 1 1    2   16   28 o   6.2020   1.3680   6.1110   1.8820   6.2920   1.9850 -0.1814000 2.736000 
1 1 1    2   16   29 o   8.8680   1.1500   9.9880   1.3550   7.7480   1.8580 2.240000 2.300000 
1 1 1    2   16   30 o   7.6050   1.2740   6.1260   1.9380   9.0840   1.6530 -2.958000 2.547000 
1 1 1    2   16   31 o   4.3830   2.0470  ?   ?    4.3830   2.0470      ?      ? 
1 1 1    2   16   32 o   3.5010   1.1490   2.5540   1.2720   4.4480   1.9130 -1.894000 2.297000 
1 1 1    2   16   33 o   2.4860   0.8793   2.3310   1.1730   2.6420   1.3100 -0.3108000 1.759000 
1 1 1    2   18    0 o   33.770   0.4807   33.280   0.7028   34.260   0.6561 -0.9821000 0.9615000 
1 1 1    2   18    1 o   52.790   0.5419   52.540   0.7736   53.040   0.7591 -0.5050000 1.084000 
1 1 1    2   18    2 o   44.650   0.5004   45.160   0.7249   44.150   0.6901 1.009000 1.001000 
1 1 1    2   18    3 o   72.470   0.6830   73.050   0.9783   71.890   0.9533 1.159000 1.366000 
1 1 1    2   18    4 o   42.130   0.5080   42.680   0.7285   41.580   0.7082 1.096000 1.016000 
1 1 1    2   18    5 o   40.230   0.4652   41.000   0.5907   39.470   0.7187 1.530000 0.9303000 
1 1 1    2   18    6 o   47.290   0.4064   46.280   0.5188   48.300   0.6257 -2.018000 0.8128000 
1 1 1    2   18    7 o   10.710   0.8623   11.070   1.1570   10.350   1.2790 0.7255000 1.725000 
1 1 1    2   18    8 o   10.050   0.9348   10.750   1.1850   9.3590   1.4460 1.391000 1.870000 
1 1 1    2   18    9 o   5.6830   1.2290   3.9760   1.7010   7.3900   1.7740 -3.414000 2.458000 
1 1 1    2   18   10 o   5.4470   1.3700   5.3110   1.9360   5.5830   1.9400 -0.2720000 2.741000 
1 1 1    2   18   11 o   22.980   0.4394   22.370   0.6317   23.580   0.6109 -1.211000 0.8788000 
1 1 1    2   18   12 o   4.7280   1.2460   3.5800   1.6180   5.8760   1.8970 -2.296000 2.493000 
1 1 1    2   18   13 o   48.680   0.3867   48.760   0.5463   48.600   0.5474 0.1634000 0.7733000 
1 1 1    2   18   14 o   16.670   0.7652   16.240   1.0680   17.100   1.0970 -0.8635000 1.530000 
1 1 1    2   18   15 o   32.740   0.5075   32.780   0.6963   32.700   0.7385 0.7840000E-01 1.015000 
1 1 1    2   18   16 f   40.660   0.3548   40.930   0.4979   40.390   0.5057 0.5425000 0.7097000 
1 1 1    2   18   17 o   14.850   0.5426   14.730   0.7441   14.980   0.7900 -0.2475000 1.085000 
1 1 1    2   18   18 o   5.7170   1.2070   6.2420   1.6450   5.1930   1.7670 1.049000 2.414000 
1 1 1    2   18   19 o   10.120   0.7789   10.820   0.9668   9.4170   1.2210 1.399000 1.558000 
1 1 1    2   18   20 o   5.2520   1.2200   5.7610   1.6890   4.7430   1.7600 1.017000 2.439000 
1 1 1    2   18   21 o   5.3740   1.2100   5.7870   1.6500   4.9610   1.7700 0.8264000 2.420000 
1 1 1    2   18   22 o   6.5950   1.1880   6.3460   1.6320   6.8440   1.7270 -0.4985000 2.376000 
1 1 1    2   18   23 o   3.7070   1.1400   3.8740   1.6290   3.5390   1.5960 0.3354000 2.281000 
1 1 1    2   18   24 o   4.6000   1.3230   5.3250   1.9760   3.8760   1.7600 1.449000 2.646000 
1 1 1    2   18   25 o   4.6160   1.3930   3.6800   1.7160   5.5520   2.1940 -1.872000 2.786000 
1 1 1    2   18   26 o   5.8920   1.1260   3.2350   1.5060   8.5490   1.6740 -5.314000 2.252000 
1 1 1    2   18   27 o   4.1350   1.2330   4.6770   1.8290   3.5940   1.6530 1.083000 2.466000 
1 1 1    2   18   28 o   7.3500   1.3150   6.9170   1.8940   7.7830   1.8230 -0.8657000 2.629000 
1 1 1    2   18   29 o   4.6500   1.3640   3.7510   1.7330   5.5490   2.1080 -1.798000 2.729000 
1 1 1    2   18   30 o   5.5450   1.6230   5.4350   2.2350   5.6540   2.3540 -0.2186000 3.246000 
1 1 1    2   18   31 o   3.1600   1.0650   2.9220   1.4160   3.3980   1.5910 -0.4759000 2.130000 
1 1 1    2   18   32 o   2.5080   0.9043   2.2930   1.1650   2.7240   1.3830 -0.4314000 1.809000 
1 1 1    2   20    0 o   37.210   0.3820   37.660   0.5791   36.760   0.4983 0.9009000 0.7639000 
1 1 1    2   20    1 o   8.2240   1.1240   6.9500   1.7930   9.4970   1.3580 -2.547000 2.249000 
1 1 1    2   20    2 o   11.800   0.7685   11.220   1.1520   12.370   1.0170 -1.154000 1.537000 
1 1 1    2   20    3 o   39.470   0.3558   39.710   0.5055   39.240   0.5007 0.4644000 0.7115000 
1 1 1    2   20    4 o   15.680   0.6087   15.660   0.8411   15.700   0.8802 -0.4165000E-01 1.217000 
1 1 1    2   20    5 o   39.970   0.3596   40.960   0.5052   38.980   0.5120 1.972000 0.7193000 
1 1 1    2   20    6 o   8.6370   1.0790   8.5130   1.5070   8.7600   1.5430 -0.2472000 2.157000 
1 1 1    2   20    7 o   26.470   0.3929   26.610   0.5407   26.340   0.5702 0.2657000 0.7858000 
1 1 1    2   20    8 o   11.190   0.8002   11.200   1.0970   11.180   1.1650 0.2015000E-01 1.600000 
1 1 1    2   20    9 o   14.590   0.6177   15.300   0.8028   13.880   0.9391 1.420000 1.235000 
1 1 1    2   20   10 o   7.9040   1.3510   10.010   1.5630   5.7950   2.2030 4.218000 2.701000 
1 1 1    2   20   11 f   21.890   0.5961   21.290   0.7771   22.500   0.9042 -1.205000 1.192000 
1 1 1    2   20   12 o   38.650   0.5025   38.850   0.7032   38.450   0.7179 0.3929000 1.005000 
1 1 1    2   20   13 o   19.350   0.4688   19.480   0.6482   19.220   0.6775 0.2657000 0.9376000 
1 1 1    2   20   14 o   14.310   0.5957   14.650   0.7985   13.970   0.8842 0.6874000 1.191000 
1 1 1    2   20   15 o   10.940   0.7467   10.550   1.0420   11.330   1.0690 -0.7817000 1.493000 
1 1 1    2   20   16 o   8.7920   0.9172   8.2350   1.3590   9.3500   1.2320 -1.115000 1.834000 
1 1 1    2   20   17 o   6.8230   1.1340   8.1000   1.3710   5.5460   1.8060 2.554000 2.268000 
1 1 1    2   20   18 o   10.370   0.7777   10.530   1.0480   10.210   1.1490 0.3251000 1.555000 
1 1 1    2   20   19 o   5.4020   1.2310   4.7320   1.7420   6.0720   1.7400 -1.340000 2.462000 
1 1 1    2   20   20 o   3.4700   1.0980   3.0900   1.4350   3.8500   1.6630 -0.7598000 2.197000 
1 1 1    2   20   21 o   16.360   0.5250   16.230   0.7299   16.490   0.7548 -0.2595000 1.050000 
1 1 1    2   20   22 o   4.2950   1.2400   4.1250   1.7100   4.4650   1.7970 -0.3402000 2.481000 
1 1 1    2   20   23 o   4.3580   1.3630   5.0360   2.0800   3.6800   1.7610 1.356000 2.725000 
1 1 1    2   20   24 o   4.4970   1.3190   4.6180   1.8420   4.3770   1.8870 0.2412000 2.637000 
1 1 1    2   20   25 f   4.2340   1.2460   3.4320   1.5830   5.0350   1.9240 -1.603000 2.492000 
1 1 1    2   20   26 o   5.0150   1.2930   6.1220   1.9200   3.9080   1.7320 2.214000 2.586000 
1 1 1    2   20   27 f   4.5540   1.2490   5.6480   1.9050   3.4590   1.6150 2.189000 2.498000 
1 1 1    2   20   28 f   4.2830   1.3300   4.0020   1.7860   4.5640   1.9700 -0.5623000 2.659000 
1 1 1    2   20   29 o   3.6540   1.2080   3.1540   1.5240   4.1540   1.8760 -0.9998000 2.417000 
1 1 1    2   20   30 o   2.5630   0.9026   2.3520   1.1840   2.7730   1.3630 -0.4205000 1.805000 
1 1 1    2   22    0 o   5.3440   1.2640   5.8900   1.7790   4.7970   1.7950 1.093000 2.528000 
1 1 1    2   22    1 o   16.450   0.5272   16.690   0.7291   16.210   0.7616 0.4786000 1.054000 
1 1 1    2   22    2 o   25.750   0.4410   26.510   0.5952   24.990   0.6510 1.525000 0.8821000 
1 1 1    2   22    3 o   21.840   0.4858   21.790   0.6661   21.900   0.7074 -0.1125000 0.9717000 
1 1 1    2   22    4 o   40.340   0.4598   39.790   0.7065   40.890   0.5888 -1.105000 0.9197000 
1 1 1    2   22    5 o   23.970   0.5575   23.120   0.7452   24.820   0.8293 -1.702000 1.115000 
1 1 1    2   22    6 o   32.310   0.4934   31.860   0.6567   32.750   0.7366 -0.8919000 0.9868000 
1 1 1    2   22    7 o   6.2790   1.4970   6.2630   2.0060   6.2940   2.2220 -0.3061000E-01 2.993000 
1 1 1    2   22    8 o   23.960   0.5372   23.310   0.7012   24.610   0.8141 -1.292000 1.074000 
1 1 1    2   22    9 o   3.6820   1.1340   3.8610   1.6190   3.5040   1.5880 0.3565000 2.268000 
1 1 1    2   22   10 o   12.100   0.6740   11.510   0.9286   12.690   0.9771 -1.173000 1.348000 
1 1 1    2   22   11 o   12.020   0.6882   11.800   0.9170   12.240   1.0270 -0.4403000 1.376000 
1 1 1    2   22   12 o   18.040   0.4726   18.310   0.6259   17.770   0.7082 0.5402000 0.9452000 
1 1 1    2   22   13 f   8.8970   0.9165   8.1610   1.3350   9.6330   1.2560 -1.472000 1.833000 
1 1 1    2   22   14 o   4.4650   1.2380   4.6650   1.7720   4.2660   1.7280 0.3994000 2.475000 
1 1 1    2   22   15 o   3.5490   1.1210   3.4670   1.5570   3.6320   1.6110 -0.1646000 2.241000 
1 1 1    2   22   16 o   8.6880   1.0010   8.9430   1.3360   8.4320   1.4910 0.5118000 2.002000 
1 1 1    2   22   17 o   22.230   0.4253   22.040   0.5994   22.420   0.6036 -0.3801000 0.8507000 
1 1 1    2   22   18 o   18.180   0.4989   18.740   0.6802   17.610   0.7302 1.131000 0.9979000 
1 1 1    2   22   19 o   4.8390   1.2800   4.7430   1.7860   4.9350   1.8340 -0.1918000 2.560000 
1 1 1    2   22   20 o   4.6780   1.2200   5.7700   1.8150   3.5860   1.6310 2.184000 2.440000 
1 1 1    2   22   21 o   6.2120   1.5700   6.7180   2.2040   5.7070   2.2360 1.010000 3.139000 
1 1 1    2   22   22 o   5.7990   1.3910   6.4680   1.9350   5.1300   1.9980 1.338000 2.782000 
1 1 1    2   22   23 o   3.2670   1.0860   3.4760   1.5940   3.0590   1.4770 0.4166000 2.173000 
1 1 1    2   22   24 o   9.4520   1.0680   8.6740   1.6010   10.230   1.4130 -1.556000 2.135000 
1 1 1    2   22   25 o   4.2590   1.2800   3.9980   1.7330   4.5200   1.8850 -0.5219000 2.561000 
1 1 1    2   22   26 o   3.6490   1.2100   3.0220   1.4770   4.2750   1.9160 -1.252000 2.419000 
1 1 1    2   22   27 o   3.2070   1.1200   3.5740   1.7190   2.8400   1.4370 0.7343000 2.241000 
1 1 1    2   22   28 o   2.6530   0.9274   2.6480   1.3050   2.6580   1.3180 -0.9993000E-02 1.855000 
1 1 1    2   22   29 o   2.4360   0.8788   2.2990   1.1690   2.5730   1.3130 -0.2746000 1.758000 
1 1 1    2   24    0 o   6.5140   1.1410   5.3720   1.7270   7.6550   1.4920 -2.283000 2.282000 
1 1 1    2   24    1 o   11.050   0.7172   10.880   1.0140   11.230   1.0140 -0.3528000 1.434000 
1 1 1    2   24    2 o   26.380   0.3587   26.150   0.5038   26.610   0.5107 -0.4691000 0.7174000 
1 1 1    2   24    3 o   15.370   0.5301   15.560   0.7310   15.180   0.7680 0.3853000 1.060000 
1 1 1    2   24    4 o   21.570   0.4228   22.050   0.5624   21.100   0.6315 0.9512000 0.8456000 
1 1 1    2   24    5 o   9.6390   0.8868   9.7220   1.1720   9.5570   1.3310 0.1648000 1.774000 
1 1 1    2   24    6 o   23.470   0.4024   24.260   0.5386   22.680   0.5980 1.587000 0.8048000 
1 1 1    2   24    7 o   22.090   0.4127   21.890   0.5682   22.280   0.5986 -0.3984000 0.8253000 
1 1 1    2   24    8 o   7.5220   1.0890   8.5500   1.2840   6.4950   1.7600 2.055000 2.179000 
1 1 1    2   24    9 o   9.1630   0.8893   9.3710   1.1390   8.9540   1.3660 0.4167000 1.779000 
1 1 1    2   24   10 o   3.5430   1.1070   3.7160   1.5930   3.3700   1.5380 0.3456000 2.214000 
1 1 1    2   24   11 o   14.740   0.5700   14.630   0.7561   14.840   0.8531 -0.2019000 1.140000 
1 1 1    2   24   12 o   11.770   0.7158   11.850   0.9481   11.700   1.0730 0.1432000 1.432000 
1 1 1    2   24   13 o   5.6010   1.2610   6.0110   1.7190   5.1920   1.8460 0.8189000 2.522000 
1 1 1    2   24   14 o   12.780   0.6643   12.970   0.8688   12.590   1.0050 0.3851000 1.329000 
1 1 1    2   24   15 o   6.8220   1.1920   5.7450   1.7500   7.8980   1.6200 -2.154000 2.384000 
1 1 1    2   24   16 o   17.690   0.5293   18.420   0.6920   16.970   0.8010 1.450000 1.059000 
1 1 1    2   24   17 o   4.2760   1.2490   4.3590   1.7620   4.1930   1.7710 0.1660000 2.498000 
1 1 1    2   24   18 o   4.2830   1.3230   3.4350   1.6470   5.1310   2.0710 -1.696000 2.646000 
1 1 1    2   24   19 o   4.8690   1.4850   4.7560   2.0670   4.9810   2.1320 -0.2244000 2.969000 
1 1 1    2   24   20 o   5.6200   1.3220   3.8890   1.7390   7.3500   1.9920 -3.461000 2.644000 
1 1 1    2   24   21 o   3.2120   1.0710   3.7070   1.6640   2.7170   1.3490 0.9899000 2.142000 
1 1 1    2   24   22 o   5.1600   1.3630   4.5530   1.8480   5.7660   2.0030 -1.213000 2.726000 
1 1 1    2   24   23 o   3.4990   1.1470   3.2140   1.5240   3.7840   1.7150 -0.5702000 2.294000 
1 1 1    2   24   24 o   3.8840   1.2620   3.7570   1.7380   4.0110   1.8290 -0.2533000 2.523000 
1 1 1    2   24   25 o   2.8420   1.0170   2.5700   1.3070   3.1130   1.5590 -0.5431000 2.034000 
1 1 1    2   24   26 o   2.7460   0.9694   2.8030   1.3940   2.6900   1.3480 0.1127000 1.939000 
1 1 1    2   24   27 o   2.2410   0.8046   2.5540   1.2700   1.9280   0.9886 0.6259000 1.609000 
1 1 1    2   26    0 o   13.230   0.5977   13.250   0.8308   13.220   0.8594 0.3497000E-01 1.195000 
1 1 1    2   26    1 o   9.9380   0.8079   10.770   1.0150   9.1070   1.2570 1.662000 1.616000 
1 1 1    2   26    2 o   17.990   0.4619   18.160   0.6364   17.810   0.6697 0.3489000 0.9238000 
1 1 1    2   26    3 f   15.530   0.5325   15.710   0.7364   15.360   0.7693 0.3552000 1.065000 
1 1 1    2   26    4 o   11.730   0.7333   12.300   0.9304   11.170   1.1340 1.131000 1.467000 
1 1 1    2   26    5 o   6.0840   1.1320   8.0830   1.4530   4.0840   1.7350 3.999000 2.263000 
1 1 1    2   26    6 f   14.780   0.5999   15.690   0.7534   13.880   0.9337 1.816000 1.200000 
1 1 1    2   26    7 o   20.210   0.4552   19.970   0.6183   20.450   0.6683 -0.4862000 0.9104000 
1 1 1    2   26    8 o   13.030   0.6597   12.900   0.8916   13.160   0.9727 -0.2583000 1.319000 
1 1 1    2   26    9 o   21.940   0.4274   22.070   0.5782   21.810   0.6297 0.2603000 0.8549000 
1 1 1    2   26   10 o   13.700   0.6336   13.300   0.8868   14.100   0.9052 -0.7971000 1.267000 
1 1 1    2   26   11 o   5.6280   1.2780   6.1370   1.7420   5.1190   1.8710 1.018000 2.557000 
1 1 1    2   26   12 o   4.7040   1.2390   5.3880   1.7740   4.0190   1.7310 1.369000 2.479000 
1 1 1    2   26   13 o   5.0190   1.2890   5.1320   1.7890   4.9070   1.8570 0.2257000 2.578000 
1 1 1    2   26   14 o   4.7510   1.2640   3.8900   1.6700   5.6130   1.8980 -1.723000 2.528000 
1 1 1    2   26   15 o   8.1010   1.3270   9.4870   1.5950   6.7150   2.1220 2.772000 2.655000 
1 1 1    2   26   16 o   9.1180   1.4370   11.590   1.7020   6.6510   2.3160 4.934000 2.874000 
1 1 1    2   26   17 o   6.6700   1.4030   5.5420   2.0240   7.7990   1.9420 -2.257000 2.806000 
1 1 1    2   26   18 o   4.3900   1.2990   4.6380   1.8750   4.1420   1.7970 0.4954000 2.597000 
1 1 1    2   26   19 o   3.1160   1.0600   3.0510   1.4770   3.1820   1.5210 -0.1303000 2.120000 
1 1 1    2   26   20 o   4.2210   1.2560   3.4360   1.6090   5.0050   1.9300 -1.568000 2.513000 
1 1 1    2   26   21 o   7.3100   1.3270   6.5910   1.9330   8.0280   1.8190 -1.437000 2.654000 
1 1 1    2   26   22 o   4.4900   1.3330   5.2710   2.0210   3.7090   1.7400 1.562000 2.667000 
1 1 1    2   26   23 o   3.3990   1.1760   3.4250   1.6640   3.3730   1.6620 0.5132000E-01 2.352000 
1 1 1    2   26   24 o   3.8630   1.2420   3.2510   1.5590   4.4760   1.9330 -1.225000 2.484000 
1 1 1    2   26   25 o   2.5530   0.9093   2.3540   1.1920   2.7520   1.3730 -0.3980000 1.819000 
1 1 1    2   28    0 o   5.7700   1.2670   5.3970   1.7930   6.1420   1.7920 -0.7456000 2.535000 
1 1 1    2   28    1 o   7.6040   1.0780   5.4500   1.7800   9.7590   1.2180 -4.309000 2.157000 
1 1 1    2   28    2 o   13.500   0.6318   12.390   0.9487   14.600   0.8347 -2.211000 1.264000 
1 1 1    2   28    3 o   10.080   0.8446   9.5360   1.2380   10.620   1.1490 -1.085000 1.689000 
1 1 1    2   28    4 o   5.0030   1.2900   4.4730   1.7530   5.5330   1.8930 -1.059000 2.580000 
1 1 1    2   28    5 o   4.0400   1.2150   4.0580   1.6970   4.0220   1.7400 0.3585000E-01 2.431000 
1 1 1    2   28    6 o   12.230   0.7208   12.130   0.9779   12.320   1.0590 -0.1898000 1.442000 
1 1 1    2   28    7 o   7.7340   1.1450   7.3980   1.6110   8.0700   1.6280 -0.6716000 2.290000 
1 1 1    2   28    8 o   10.920   0.8241   11.660   1.0140   10.190   1.2990 1.467000 1.648000 
1 1 1    2   28    9 o   13.720   0.6578   13.360   0.9002   14.080   0.9593 -0.7163000 1.316000 
1 1 1    2   28   10 o   5.0530   1.2160   3.3940   1.5540   6.7110   1.8700 -3.317000 2.431000 
1 1 1    2   28   11 o   7.0880   1.5150   5.5880   2.1520   8.5890   2.1340 -3.001000 3.030000 
1 1 1    2   28   12 f   4.4770   1.3420   2.8740   1.4400   6.0800   2.2650 -3.205000 2.684000 
1 1 1    2   28   13 o   11.960   1.1780   10.190   1.8990   13.740   1.3960 -3.551000 2.357000 
1 1 1    2   28   14 o   4.6100   1.2630   5.5710   1.9060   3.6490   1.6590 1.921000 2.527000 
1 1 1    2   28   15 o   3.3320   1.1070   3.2000   1.5130   3.4640   1.6170 -0.2642000 2.214000 
1 1 1    2   28   16 o   6.0080   1.3900   6.5400   1.9350   5.4750   1.9970 1.065000 2.781000 
1 1 1    2   28   17 f   3.2010   1.0780   3.5120   1.6210   2.8910   1.4200 0.6211000 2.155000 
1 1 1    2   28   18 o   3.2030   1.0810   3.0400   1.4650   3.3670   1.5880 -0.3274000 2.161000 
1 1 1    2   28   19 o   4.8290   1.3930   4.1010   1.7890   5.5570   2.1360 -1.456000 2.786000 
1 1 1    2   28   20 o   2.8780   1.0230   3.0270   1.5090   2.7280   1.3830 0.2994000 2.047000 
1 1 1    2   28   21 o   2.3150   0.8330   2.3060   1.1720   2.3230   1.1840 -0.1684000E-01 1.666000 
1 1 1    2   28   22 o   4.0830   1.2240   4.6430   1.8390   3.5230   1.6180 1.119000 2.449000 
1 1 1    2   30    0 o   7.3910   1.3060   8.8770   1.6580   5.9060   2.0180 2.971000 2.612000 
1 1 1    2   30    1 o   4.0960   1.2710   3.9900   1.7670   4.2030   1.8270 -0.2137000 2.542000 
1 1 1    2   30    2 o   3.9700   1.2910   4.6310   2.0170   3.3090   1.6120 1.322000 2.582000 
1 1 1    2   30    3 o   3.9950   1.3520   3.7170   1.7660   4.2720   2.0470 -0.5556000 2.703000 
1 1 1    2   30    4 f   5.7550   1.5920   5.1850   2.1590   6.3250   2.3400 -1.139000 3.184000 
1 1 1    2   30    5 f   10.970   1.3260   10.130   1.9600   11.810   1.7850 -1.677000 2.651000 
1 1 1    2   30    6 o   13.230   1.1040   12.160   1.6450   14.300   1.4720 -2.147000 2.208000 
1 1 1    2   30    7 o   5.3140   1.5670   5.2300   2.1810   5.3970   2.2490 -0.1668000 3.133000 
1 1 1    2   30    8 o   3.2510   1.0850   3.3550   1.5660   3.1480   1.5020 0.2069000 2.170000 
1 1 1    2   30    9 o   7.4310   1.2360   6.3180   1.8950   8.5440   1.5880 -2.226000 2.473000 
1 1 1    2   30   10 o   7.6490   1.2300   8.8590   1.5290   6.4390   1.9270 2.420000 2.460000 
1 1 1    2   30   11 f   4.1600   1.1890   5.4160   1.9110   2.9040   1.4160 2.511000 2.379000 
1 1 1    2   30   12 o   3.7160   1.1850   3.4500   1.6000   3.9820   1.7490 -0.5316000 2.370000 
1 1 1    2   30   13 o   2.8990   0.9994   2.5320   1.2630   3.2660   1.5490 -0.7342000 1.999000 
1 1 1    2   30   14 o   3.2770   1.0920   2.6560   1.3140   3.8970   1.7440 -1.241000 2.183000 
1 1 1    2   30   15 o   2.7010   0.9470   2.6490   1.3140   2.7530   1.3640 -0.1039000 1.894000 
1 1 1    2   30   16 o   3.6130   1.1920   3.9280   1.7720   3.2980   1.5940 0.6302000 2.384000 
1 1 1    2   30   17 o   3.2010   1.1160   2.9320   1.4670   3.4690   1.6830 -0.5367000 2.233000 
1 1 1    2   30   18 o   2.4400   0.8753   2.2670   1.1560   2.6120   1.3150 -0.3457000 1.751000 
1 1 1    2   30   19 o   2.4550   0.8680   2.7840   1.3570   2.1260   1.0830 0.6582000 1.736000 
1 1 1    2   32    0 o   3.2710   1.0850   3.5790   1.6250   2.9620   1.4370 0.6170000 2.170000 
1 1 1    2   32    1 o   13.190   0.7491   14.400   0.9282   11.980   1.1760 2.427000 1.498000 
1 1 1    2   32    2 o   8.4400   1.1630   7.0450   1.8140   9.8360   1.4540 -2.792000 2.325000 
1 1 1    2   32    3 o   7.6490   1.3380   8.0250   1.6610   7.2730   2.0980 0.7514000 2.676000 
1 1 1    2   32    4 o   7.4070   1.2910   6.5110   1.8940   8.3020   1.7550 -1.792000 2.582000 
1 1 1    2   32    5 o   8.0110   1.2070   9.9450   1.3660   6.0780   1.9910 3.867000 2.414000 
1 1 1    2   32    6 o   4.8980   1.3510   4.6150   1.8600   5.1810   1.9610 -0.5656000 2.703000 
1 1 1    2   32    7 o   4.0650   1.2050   2.8280   1.3850   5.3010   1.9730 -2.473000 2.411000 
1 1 1    2   32    8 o   5.9640   1.3850   6.3210   1.9210   5.6070   1.9950 0.7140000 2.769000 
1 1 1    2   32    9 o   6.4790   1.3280   7.4340   1.7610   5.5240   1.9870 1.911000 2.655000 
1 1 1    2   32   10 o   2.7810   0.9652   3.0650   1.4670   2.4970   1.2540 0.5681000 1.930000 
1 1 1    2   32   11 o   3.6120   1.1650   4.0270   1.7400   3.1980   1.5510 0.8290000 2.331000 
1 1 1    2   32   12 o   3.6700   1.2350   3.4370   1.6690   3.9040   1.8220 -0.4671000 2.471000 
1 1 1    2   32   13 o   3.0130   1.0620   3.0170   1.5020   3.0080   1.5010 0.9589000E-02 2.124000 
1 1 1    2   32   14 o   2.0580   0.7475   1.9130   0.9853   2.2030   1.1240 -0.2898000 1.495000 
1 1 1    2   32   15 o   2.0830   0.7512   1.9420   0.9942   2.2240   1.1270 -0.2818000 1.502000 
1 1 1    2   34    0 o   3.4610   1.1680   3.0260   1.5370   3.8960   1.7600 -0.8700000 2.337000 
1 1 1    2   34    1 o   3.5990   1.2290   3.2380   1.6330   3.9600   1.8380 -0.7226000 2.459000 
1 1 1    2   34    2 o   3.0190   1.0660   2.4490   1.2630   3.5880   1.7170 -1.139000 2.132000 
1 1 1    2   34    3 o   3.2020   1.1290   3.2540   1.6400   3.1510   1.5530 0.1025000 2.259000 
1 1 1    2   34    4 o   2.8920   1.0240   2.7780   1.3990   3.0050   1.4960 -0.2269000 2.048000 
1 1 1    2   34    5 o   3.1400   1.0950   3.3460   1.6280   2.9340   1.4640 0.4118000 2.189000 
1 1 1    2   34    6 o   2.6360   0.9427   2.5280   1.2830   2.7450   1.3810 -0.2170000 1.885000 
1 1 1    2   34    7 o   2.3810   0.8598   2.3680   1.2100   2.3940   1.2220 -0.2577000E-01 1.720000 
1 1 1    2   34    8 o   2.6970   0.9437   2.8620   1.4050   2.5310   1.2600 0.3307000 1.887000 
1 1 1    2   34    9 o   3.0860   1.0550   2.8930   1.4480   3.2790   1.5330 -0.3866000 2.109000 
1 1 1    3    1    0 o   99.930   0.6272  100.200   0.8895   99.660   0.8846 0.5540000 1.254000 
1 1 1    3    1    1 o   54.740   0.3447   54.990   0.4895   54.490   0.4854 0.5022000 0.6893000 
1 1 1    3    1    2 o   73.160   0.5319   71.590   0.7365   74.740   0.7677 -3.144000 1.064000 
1 1 1    3    1    3 o   70.090   0.4414   70.180   0.6251   70.000   0.6235 0.1734000 0.8829000 
1 1 1    3    1    4 o  101.400   0.9027  100.100   1.2610  102.700   1.2930 -2.599000 1.805000 
1 1 1    3    1    5 o   24.940   0.1795   24.970   0.2537   24.920   0.2540 0.5415000E-01 0.3590000 
1 1 1    3    1    6 o  173.100   1.0880  173.800   1.5440  172.500   1.5330 1.341000 2.176000 
1 1 1    3    1    7 f  110.400   0.6946  110.200   0.9803  110.700   0.9843 -0.4844000 1.389000 
1 1 1    3    1    8 o   42.880   0.2830   42.980   0.4004   42.790   0.4002 0.1916000 0.5661000 
1 1 1    3    1    9 o   31.250   0.3219   31.190   0.4525   31.310   0.4580 -0.1204000 0.6438000 
1 1 1    3    1   10 o   27.340   0.3092   27.330   0.4361   27.350   0.4385 -0.1482000E-01 0.6185000 
1 1 1    3    1   11 o   21.330   0.2200   21.410   0.3101   21.240   0.3120 0.1726000 0.4399000 
1 1 1    3    1   12 o   23.510   0.2268   23.230   0.3213   23.790   0.3203 -0.5547000 0.4537000 
1 1 1    3    1   13 o   23.280   0.2403   23.270   0.3405   23.290   0.3391 -0.2057000E-01 0.4805000 
1 1 1    3    1   14 f   4.3070   0.8863   3.4720   1.2990   5.1420   1.2060 -1.670000 1.773000 
1 1 1    3    1   15 o   66.350   0.4312   66.570   0.6121   66.130   0.6074 0.4442000 0.8624000 
1 1 1    3    1   16 o   55.280   0.3735   55.330   0.5295   55.220   0.5268 0.1149000 0.7470000 
1 1 1    3    1   17 o   47.330   0.3381   47.080   0.4766   47.580   0.4799 -0.5031000 0.6763000 
1 1 1    3    1   18 o   30.590   0.4154   30.740   0.5793   30.450   0.5954 0.2919000 0.8307000 
1 1 1    3    1   19 o   24.340   0.3924   23.780   0.5197   24.900   0.5881 -1.119000 0.7849000 
1 1 1    3    1   20 o   25.980   0.3458   25.750   0.4885   26.210   0.4895 -0.4611000 0.6915000 
1 1 1    3    1   21 o   30.130   0.3399   30.480   0.4776   29.780   0.4838 0.7013000 0.6798000 
1 1 1    3    1   22 o   25.460   0.3544   25.080   0.5087   25.840   0.4935 -0.7584000 0.7087000 
1 1 1    3    1   23 o   19.200   0.6071   19.190   0.8468   19.210   0.8702 -0.1996000E-01 1.214000 
1 1 1    3    1   24 o   6.9290   1.0630   6.3530   1.5770   7.5060   1.4250 -1.153000 2.125000 
1 1 1    3    1   25 o   6.5280   1.0920   5.3970   1.6680   7.6600   1.4110 -2.262000 2.185000 
1 1 1    3    1   26 o   9.1390   0.8038   9.4390   1.0740   8.8380   1.1970 0.6011000 1.608000 
1 1 1    3    1   27 f   4.4900   1.1870   4.6230   1.6790   4.3570   1.6790 0.2667000 2.374000 
1 1 1    3    1   28 o   14.280   0.5168   15.260   0.6885   13.310   0.7708 1.955000 1.034000 
1 1 1    3    1   29 o   4.3000   1.0490   5.8800   1.6460   2.7200   1.3020 3.159000 2.099000 
1 1 1    3    1   30 o   9.4730   0.8577   9.7050   1.1700   9.2420   1.2540 0.4625000 1.715000 
1 1 1    3    1   31 o   7.5470   1.3350   5.5890   2.0800   9.5060   1.6730 -3.917000 2.669000 
1 1 1    3    1   32 o   4.3820   1.2150   5.2870   1.8500   3.4770   1.5740 1.811000 2.429000 
1 1 1    3    1   33 o   8.5790   1.1420   9.5450   1.4280   7.6120   1.7810 1.933000 2.283000 
1 1 1    3    1   34 o   6.0120   1.2990   7.6330   1.8290   4.3910   1.8450 3.241000 2.598000 
1 1 1    3    1   35 o   3.9550   1.3300   4.0770   1.9230   3.8330   1.8380 0.2432000 2.660000 
1 1 1    3    1   36 o   3.7620   1.2060   3.5920   1.6640   3.9330   1.7470 -0.3409000 2.413000 
1 1 1    3    1   37 o   2.7040   0.9442   2.4420   1.2260   2.9660   1.4360 -0.5245000 1.888000 
1 1 1    3    3    0 o   36.120   0.2341   36.370   0.3330   35.870   0.3292 0.5014000 0.4683000 
1 1 1    3    3    1 f   22.360   0.1893   21.700   0.2595   23.020   0.2756 -1.321000 0.3786000 
1 1 1    3    3    2 o   41.100   0.3061   40.900   0.4308   41.300   0.4348 -0.3972000 0.6121000 
1 1 1    3    3    3 o   65.700   0.5886   65.550   0.8304   65.840   0.8344 -0.2920000 1.177000 
1 1 1    3    3    4 o   54.510   0.4029   54.780   0.5721   54.230   0.5675 0.5517000 0.8059000 
1 1 1    3    3    5 o   23.310   0.1850   23.510   0.2630   23.110   0.2604 0.3996000 0.3701000 
1 1 1    3    3    6 o  106.200   0.6693  106.100   0.9446  106.400   0.9484 -0.2700000 1.339000 
1 1 1    3    3    7 o  113.800   0.7162  114.300   1.0170  113.200   1.0090 1.004000 1.432000 
1 1 1    3    3    8 o   45.030   0.2976   45.280   0.4227   44.780   0.4190 0.4979000 0.5951000 
1 1 1    3    3    9 o   15.610   0.3336   15.140   0.4732   16.090   0.4703 -0.9451000 0.6672000 
1 1 1    3    3   10 o   20.720   0.2181   21.010   0.3061   20.440   0.3108 0.5632000 0.4363000 
1 1 1    3    3   11 o   55.520   0.3623   55.890   0.5148   55.160   0.5099 0.7297000 0.7246000 
1 1 1    3    3   12 o   18.730   0.2481   18.910   0.3431   18.560   0.3585 0.3514000 0.4963000 
1 1 1    3    3   13 o   25.390   0.2430   25.400   0.3400   25.370   0.3473 0.3065000E-01 0.4861000 
1 1 1    3    3   14 o   58.310   0.3835   58.310   0.5418   58.300   0.5428 0.1519000E-01 0.7669000 
1 1 1    3    3   15 o   54.330   0.3647   54.530   0.5166   54.130   0.5150 0.3927000 0.7294000 
1 1 1    3    3   16 o   39.320   0.3035   38.760   0.4231   39.890   0.4353 -1.129000 0.6070000 
1 1 1    3    3   17 o   12.340   0.5135   12.500   0.7069   12.170   0.7449 0.3349000 1.027000 
1 1 1    3    3   18 o  100.500   0.9113  100.300   1.2860  100.700   1.2910 -0.4259000 1.823000 
1 1 1    3    3   19 o   16.960   0.4665   16.960   0.6464   16.950   0.6727 0.9876000E-02 0.9329000 
1 1 1    3    3   20 o   28.390   0.3460   28.070   0.4859   28.710   0.4927 -0.6375000 0.6920000 
1 1 1    3    3   21 o   38.150   0.3343   38.600   0.4685   37.690   0.4769 0.9099000 0.6685000 
1 1 1    3    3   22 o   10.980   0.7098   11.170   0.9631   10.790   1.0430 0.3801000 1.420000 
1 1 1    3    3   23 f   4.0910   1.2890   4.6600   1.9610   3.5220   1.6740 1.138000 2.578000 
1 1 1    3    3   24 o   3.4580   1.0670   3.3320   1.4710   3.5850   1.5460 -0.2530000 2.134000 
1 1 1    3    3   25 f   5.1660   1.1380   4.2220   1.6130   6.1100   1.6070 -1.888000 2.277000 
1 1 1    3    3   26 o   3.8310   1.1030   3.9900   1.5820   3.6730   1.5390 0.3176000 2.207000 
1 1 1    3    3   27 o   3.5470   1.0720   3.2630   1.4510   3.8300   1.5770 -0.5665000 2.143000 
1 1 1    3    3   28 o   3.5320   1.0720   3.0760   1.4030   3.9890   1.6210 -0.9126000 2.144000 
1 1 1    3    3   29 o   4.4450   1.1690   3.8870   1.5870   5.0030   1.7180 -1.116000 2.338000 
1 1 1    3    3   30 f   8.5820   0.9647   7.6640   1.4890   9.5000   1.2270 -1.835000 1.929000 
1 1 1    3    3   31 o   3.0030   1.0410   2.8520   1.4110   3.1530   1.5300 -0.3004000 2.082000 
1 1 1    3    3   32 o   4.2930   1.2490   3.9840   1.7080   4.6030   1.8220 -0.6189000 2.497000 
1 1 1    3    3   33 o   4.3220   1.2650   4.9000   1.8890   3.7440   1.6840 1.156000 2.531000 
1 1 1    3    3   34 o   5.4330   1.4040   5.2530   1.9540   5.6130   2.0170 -0.3606000 2.808000 
1 1 1    3    3   35 o   9.3740   1.5730   11.070   1.8820   7.6790   2.5210 3.391000 3.146000 
1 1 1    3    3   36 o   2.7480   0.9602   2.1660   1.1050   3.3300   1.5710 -1.164000 1.920000 
1 1 1    3    3   37 o   2.6030   0.9157   2.6030   1.2940   2.6040   1.2950 -0.4182000E-03 1.831000 
1 1 1    3    5    0 o   26.930   0.2314   27.090   0.3281   26.770   0.3264 0.3208000 0.4628000 
1 1 1    3    5    1 o   42.550   0.3228   42.890   0.4597   42.220   0.4533 0.6623000 0.6456000 
1 1 1    3    5    2 o   67.570   0.4295   68.000   0.6111   67.140   0.6036 0.8636000 0.8589000 
1 1 1    3    5    3 o  126.200   0.7937  126.800   1.1280  125.500   1.1170 1.297000 1.587000 
1 1 1    3    5    4 o   98.390   0.6206   98.050   0.8743   98.730   0.8809 -0.6751000 1.241000 
1 1 1    3    5    5 o  139.400   0.8765  140.000   1.2450  138.800   1.2340 1.224000 1.753000 
1 1 1    3    5    6 o  124.000   0.7808  124.400   1.1070  123.700   1.1010 0.7267000 1.562000 
1 1 1    3    5    7 o   60.990   0.3929   61.270   0.5574   60.710   0.5538 0.5543000 0.7858000 
1 1 1    3    5    8 o   54.780   0.5047   54.870   0.7145   54.680   0.7129 0.1951000 1.009000 
1 1 1    3    5    9 o   20.730   0.2427   20.150   0.3165   21.320   0.3681 -1.170000 0.4855000 
1 1 1    3    5   10 o   36.740   0.2641   36.770   0.3723   36.710   0.3748 0.6427000E-01 0.5283000 
1 1 1    3    5   11 o   9.5760   0.4159   9.5590   0.5852   9.5920   0.5910 -0.3328000E-01 0.8317000 
1 1 1    3    5   12 o   45.160   0.3099   45.420   0.4390   44.900   0.4374 0.5197000 0.6197000 
1 1 1    3    5   13 o   27.020   0.2530   27.010   0.3520   27.030   0.3636 -0.2062000E-01 0.5061000 
1 1 1    3    5   14 o   54.590   0.3656   54.840   0.5188   54.350   0.5152 0.4904000 0.7311000 
1 1 1    3    5   15 o   13.710   0.4088   13.350   0.5761   14.070   0.5800 -0.7170000 0.8175000 
1 1 1    3    5   16 f   2.6140   0.8696   2.6360   1.2300   2.5930   1.2300 0.4325000E-01 1.739000 
1 1 1    3    5   17 o   31.680   0.4242   31.850   0.5894   31.500   0.6102 0.3555000 0.8484000 
1 1 1    3    5   18 o   35.530   0.4556   35.220   0.6309   35.840   0.6573 -0.6270000 0.9111000 
1 1 1    3    5   19 o   36.950   0.3346   36.940   0.4674   36.960   0.4788 -0.1294000E-01 0.6691000 
1 1 1    3    5   20 o   22.930   0.3905   23.040   0.5354   22.810   0.5685 0.2328000 0.7809000 
1 1 1    3    5   21 o   26.780   0.3613   26.710   0.4908   26.850   0.5302 -0.1356000 0.7225000 
1 1 1    3    5   22 o   12.920   0.9161   12.930   1.2590   12.910   1.3310 0.1903000E-01 1.832000 
1 1 1    3    5   23 o   12.650   0.9268   10.880   1.4190   14.420   1.1930 -3.547000 1.854000 
1 1 1    3    5   24 o   18.530   0.4368   19.690   0.6072   17.360   0.6281 2.332000 0.8736000 
1 1 1    3    5   25 o   10.340   0.6938   9.3730   1.0390   11.300   0.9200 -1.926000 1.388000 
1 1 1    3    5   26 o   10.570   0.6882   10.690   0.9282   10.450   1.0160 0.2370000 1.376000 
1 1 1    3    5   27 o   4.5510   1.1640   3.7140   1.5570   5.3870   1.7310 -1.673000 2.328000 
1 1 1    3    5   28 o   11.140   0.6644   10.450   0.9689   11.840   0.9094 -1.394000 1.329000 
1 1 1    3    5   29 o   12.760   0.6040   13.230   0.7924   12.290   0.9118 0.9386000 1.208000 
1 1 1    3    5   30 o   4.2780   1.3080   4.1210   1.7900   4.4350   1.9080 -0.3131000 2.617000 
1 1 1    3    5   31 o   7.9190   1.2130   8.3440   1.5210   7.4950   1.8890 0.8498000 2.425000 
1 1 1    3    5   32 o   5.2820   1.3380   5.5920   1.8920   4.9730   1.8930 0.6188000 2.676000 
1 1 1    3    5   33 o   5.9260   1.3370   5.0450   1.8840   6.8060   1.8970 -1.762000 2.674000 
1 1 1    3    5   34 o   6.3370   1.4380   4.4120   1.9070   8.2620   2.1520 -3.850000 2.876000 
1 1 1    3    5   35 f   3.2180   1.1250   3.3470   1.6330   3.0880   1.5480 0.2592000 2.250000 
1 1 1    3    5   36 o   2.5970   0.9162   2.5600   1.2800   2.6340   1.3110 -0.7346000E-01 1.832000 
1 1 1    3    7    0 o  100.500   0.6337  100.400   0.8949  100.700   0.8975 -0.3115000 1.267000 
1 1 1    3    7    1 o   63.890   0.4089   63.730   0.5767   64.050   0.5799 -0.3206000 0.8178000 
1 1 1    3    7    2 o   78.780   0.5003   78.730   0.7068   78.840   0.7082 -0.1083000 1.001000 
1 1 1    3    7    3 o   87.390   0.5539   87.520   0.7841   87.260   0.7827 0.2623000 1.108000 
1 1 1    3    7    4 o   65.780   0.4569   65.440   0.5944   66.130   0.6942 -0.6843000 0.9139000 
1 1 1    3    7    5 f   44.930   0.3287   44.500   0.4254   45.360   0.5011 -0.8623000 0.6574000 
1 1 1    3    7    6 f   45.890   0.4371   46.140   0.6212   45.630   0.6151 0.5198000 0.8742000 
1 1 1    3    7    7 o   59.800   0.5502   60.160   0.7830   59.440   0.7732 0.7195000 1.100000 
1 1 1    3    7    8 o   32.530   0.2516   32.750   0.3559   32.320   0.3559 0.4312000 0.5033000 
1 1 1    3    7    9 o   70.460   0.4533   70.850   0.6442   70.080   0.6380 0.7686000 0.9066000 
1 1 1    3    7   10 o   32.190   0.2566   31.890   0.3603   32.500   0.3655 -0.6079000 0.5133000 
1 1 1    3    7   11 o   57.390   0.3783   57.720   0.5371   57.060   0.5328 0.6663000 0.7566000 
1 1 1    3    7   12 o   51.490   0.3482   51.430   0.4917   51.550   0.4931 -0.1243000 0.6964000 
1 1 1    3    7   13 o   62.010   0.4087   62.050   0.5777   61.970   0.5781 0.8013000E-01 0.8173000 
1 1 1    3    7   14 o   23.690   0.2960   23.770   0.4112   23.610   0.4258 0.1591000 0.5919000 
1 1 1    3    7   15 o   30.350   0.2915   30.360   0.4087   30.340   0.4157 0.2610000E-01 0.5829000 
1 1 1    3    7   16 o   13.020   0.5234   12.940   0.7170   13.100   0.7626 -0.1627000 1.047000 
1 1 1    3    7   17 o   29.200   0.4521   28.610   0.6321   29.780   0.6466 -1.161000 0.9042000 
1 1 1    3    7   18 f   25.450   0.3807   25.610   0.5397   25.290   0.5370 0.3230000 0.7614000 
1 1 1    3    7   19 f   14.680   0.5466   14.160   0.7579   15.200   0.7879 -1.044000 1.093000 
1 1 1    3    7   20 o   19.000   0.4463   18.640   0.6110   19.360   0.6507 -0.7169000 0.8926000 
1 1 1    3    7   21 f   7.4610   1.0690   7.9980   1.3610   6.9250   1.6490 1.073000 2.138000 
1 1 1    3    7   22 o   10.960   1.0440   10.210   1.4270   11.710   1.5250 -1.498000 2.089000 
1 1 1    3    7   23 o   4.1780   1.1690   4.0680   1.6190   4.2880   1.6860 -0.2197000 2.337000 
1 1 1    3    7   24 o   6.4810   1.0650   7.8270   1.2930   5.1360   1.6920 2.690000 2.129000 
1 1 1    3    7   25 o   24.570   0.3436   24.390   0.4734   24.740   0.4980 -0.3503000 0.6871000 
1 1 1    3    7   26 f   3.9370   1.1240   4.2540   1.6240   3.6200   1.5550 0.6342000 2.248000 
1 1 1    3    7   27 o   6.0550   1.1000   4.7200   1.6460   7.3910   1.4590 -2.672000 2.200000 
1 1 1    3    7   28 o   5.0780   1.2020   4.5060   1.6650   5.6490   1.7330 -1.143000 2.403000 
1 1 1    3    7   29 o   17.080   0.5009   17.750   0.6436   16.410   0.7677 1.343000 1.002000 
1 1 1    3    7   30 o   3.7720   1.2100   4.2540   1.8310   3.2890   1.5830 0.9652000 2.420000 
1 1 1    3    7   31 o   6.2860   1.2850   6.7080   1.8000   5.8640   1.8350 0.8435000 2.570000 
1 1 1    3    7   32 o   6.9510   1.2900   7.6630   1.7410   6.2390   1.9030 1.424000 2.579000 
1 1 1    3    7   33 o   5.8210   1.3950   5.8280   1.9410   5.8150   2.0040 0.1294000E-01 2.790000 
1 1 1    3    7   34 o   4.1570   1.3800   3.7680   1.7990   4.5460   2.0920 -0.7773000 2.760000 
1 1 1    3    7   35 o   3.0690   1.0500   2.8320   1.3940   3.3070   1.5700 -0.4742000 2.099000 
1 1 1    3    7   36 o   2.1150   0.7638   2.2050   1.1220   2.0260   1.0370 0.1789000 1.528000 
1 1 1    3    9    0 o   62.070   0.4630   61.780   0.6517   62.360   0.6577 -0.5821000 0.9260000 
1 1 1    3    9    1 o   37.580   0.3095   37.750   0.4386   37.400   0.4367 0.3502000 0.6190000 
1 1 1    3    9    2 o   86.000   0.6317   85.670   0.8898   86.320   0.8968 -0.6441000 1.263000 
1 1 1    3    9    3 o   25.430   0.3358   24.900   0.4738   25.960   0.4761 -1.058000 0.6716000 
1 1 1    3    9    4 o   35.320   0.3725   35.420   0.5303   35.210   0.5232 0.2098000 0.7449000 
1 1 1    3    9    5 o   38.610   0.3230   38.830   0.4580   38.390   0.4557 0.4351000 0.6461000 
1 1 1    3    9    6 o   23.450   0.2709   22.890   0.3513   24.010   0.4125 -1.118000 0.5418000 
1 1 1    3    9    7 o   35.680   0.2700   35.970   0.3823   35.380   0.3813 0.5847000 0.5400000 
1 1 1    3    9    8 o   33.970   0.2671   33.970   0.3774   33.970   0.3781 -0.6676000E-03 0.5342000 
1 1 1    3    9    9 o   21.760   0.2713   21.870   0.3783   21.650   0.3888 0.2236000 0.5425000 
1 1 1    3    9   10 o   35.020   0.2766   35.440   0.3917   34.590   0.3907 0.8495000 0.5533000 
1 1 1    3    9   11 o   43.020   0.3120   43.150   0.4411   42.880   0.4414 0.2654000 0.6240000 
1 1 1    3    9   12 o   77.970   0.5036   77.820   0.7104   78.120   0.7139 -0.2995000 1.007000 
1 1 1    3    9   13 o   22.920   0.3149   23.160   0.4380   22.680   0.4527 0.4878000 0.6298000 
1 1 1    3    9   14 o   52.860   0.3695   52.830   0.5227   52.890   0.5223 -0.6319000E-01 0.7389000 
1 1 1    3    9   15 o   39.040   0.3244   39.010   0.4542   39.070   0.4634 -0.5848000E-01 0.6489000 
1 1 1    3    9   16 o   32.410   0.4495   32.290   0.6333   32.530   0.6380 -0.2391000 0.8989000 
1 1 1    3    9   17 o   29.100   0.3736   28.900   0.5655   29.300   0.4885 -0.4053000 0.7472000 
1 1 1    3    9   18 o   10.940   0.7517   11.750   0.9380   10.130   1.1750 1.614000 1.503000 
1 1 1    3    9   19 o   10.140   0.7876   9.5480   1.1280   10.740   1.0990 -1.189000 1.575000 
1 1 1    3    9   20 o   16.450   0.4963   16.480   0.6599   16.430   0.7416 0.5468000E-01 0.9927000 
1 1 1    3    9   21 o   37.140   0.4945   37.170   0.6856   37.100   0.7129 0.6301000E-01 0.9891000 
1 1 1    3    9   22 o   4.2220   1.1810   4.1610   1.6120   4.2830   1.7260 -0.1221000 2.361000 
1 1 1    3    9   23 o   3.8980   1.1390   3.9690   1.5990   3.8280   1.6210 0.1409000 2.277000 
1 1 1    3    9   24 o   3.4850   1.0690   3.3780   1.4630   3.5920   1.5590 -0.2139000 2.138000 
1 1 1    3    9   25 o   10.060   0.7251   10.020   0.9773   10.100   1.0710 -0.7288000E-01 1.450000 
1 1 1    3    9   26 o   8.7120   0.8760   9.5920   1.0430   7.8310   1.4080 1.762000 1.752000 
1 1 1    3    9   27 o   8.0430   0.9576   7.5290   1.3880   8.5570   1.3200 -1.028000 1.915000 
1 1 1    3    9   28 o   6.2840   1.1000   4.3070   1.6800   8.2620   1.4190 -3.955000 2.199000 
1 1 1    3    9   29 o   4.1050   1.2690   4.4420   1.8450   3.7680   1.7420 0.6736000 2.538000 
1 1 1    3    9   30 o   13.700   0.7423   14.610   0.9257   12.800   1.1610 1.809000 1.485000 
1 1 1    3    9   31 o   5.0570   1.2460   6.3260   1.8410   3.7870   1.6790 2.539000 2.492000 
1 1 1    3    9   32 o   7.8580   1.2460   7.8920   1.6860   7.8250   1.8350 0.6677000E-01 2.492000 
1 1 1    3    9   33 o   5.0600   1.3130   6.2010   1.9340   3.9190   1.7750 2.282000 2.625000 
1 1 1    3    9   34 o   4.0000   1.3200   4.7100   2.0710   3.2900   1.6370 1.420000 2.640000 
1 1 1    3    9   35 o   2.5480   0.9001   2.4770   1.2420   2.6200   1.3030 -0.1434000 1.800000 
1 1 1    3    9   36 o   1.9760   1.0180   1.9760   1.0180  ?   ?       ?      ? 
1 1 1    3   11    0 o   39.270   0.2838   39.560   0.4026   38.990   0.4003 0.5713000 0.5677000 
1 1 1    3   11    1 o   43.790   0.3302   44.400   0.5036   43.170   0.4274 1.224000 0.6605000 
1 1 1    3   11    2 o   19.460   0.2779   19.770   0.3883   19.140   0.3975 0.6327000 0.5557000 
1 1 1    3   11    3 o   55.250   0.3668   54.940   0.5157   55.570   0.5217 -0.6322000 0.7335000 
1 1 1    3   11    4 o   15.470   0.3308   15.570   0.4602   15.360   0.4753 0.2153000 0.6616000 
1 1 1    3   11    5 o   53.520   0.3876   53.750   0.5866   53.290   0.5067 0.4613000 0.7752000 
1 1 1    3   11    6 o   71.940   0.4657   72.070   0.6594   71.820   0.6578 0.2552000 0.9314000 
1 1 1    3   11    7 o   23.100   0.2820   23.530   0.3921   22.670   0.4055 0.8531000 0.5641000 
1 1 1    3   11    8 o   26.480   0.2806   26.290   0.3974   26.670   0.3963 -0.3844000 0.5613000 
1 1 1    3   11    9 o   46.110   0.3293   46.120   0.4657   46.100   0.4656 0.2266000E-01 0.6585000 
1 1 1    3   11   10 o   39.380   0.3053   39.790   0.4315   38.970   0.4320 0.8186000 0.6106000 
1 1 1    3   11   11 o   32.520   0.2993   32.490   0.4176   32.550   0.4290 -0.5864000E-01 0.5987000 
1 1 1    3   11   12 o   61.200   0.4125   61.110   0.5819   61.280   0.5850 -0.1671000 0.8251000 
1 1 1    3   11   13 o   20.910   0.3741   21.070   0.5143   20.740   0.5435 0.3309000 0.7483000 
1 1 1    3   11   14 o   25.290   0.4754   25.050   0.6695   25.530   0.6750 -0.4709000 0.9508000 
1 1 1    3   11   15 o   46.160   0.4983   46.090   0.6998   46.220   0.7096 -0.1243000 0.9966000 
1 1 1    3   11   16 o   50.500   0.3780   50.340   0.5304   50.660   0.5386 -0.3216000 0.7559000 
1 1 1    3   11   17 o   11.700   0.7110   11.000   1.0310   12.400   0.9797 -1.396000 1.422000 
1 1 1    3   11   18 o   15.580   0.5427   15.640   0.7228   15.510   0.8098 0.1260000 1.085000 
1 1 1    3   11   19 f   15.730   0.5275   15.240   0.7426   16.230   0.7494 -0.9932000 1.055000 
1 1 1    3   11   20 o   26.740   0.5280   27.110   0.7086   26.370   0.7829 0.7429000 1.056000 
1 1 1    3   11   21 o   19.140   0.4948   19.140   0.6948   19.140   0.7047 0.3098000E-02 0.9896000 
1 1 1    3   11   22 o   4.0700   1.0410   5.4820   1.6410   2.6570   1.2830 2.826000 2.083000 
1 1 1    3   11   23 o   13.700   0.5335   14.120   0.7005   13.290   0.8048 0.8353000 1.067000 
1 1 1    3   11   24 o   4.0370   1.1490   3.9840   1.6010   4.0910   1.6480 -0.1067000 2.298000 
1 1 1    3   11   25 o   15.950   0.4799   15.190   0.6815   16.710   0.6758 -1.522000 0.9598000 
1 1 1    3   11   26 o   6.6480   1.1110   5.5890   1.6620   7.7070   1.4740 -2.118000 2.221000 
1 1 1    3   11   27 o   4.8930   1.2240   4.4610   1.6680   5.3250   1.7910 -0.8643000 2.447000 
1 1 1    3   11   28 o   12.410   0.7285   11.110   1.0550   13.700   1.0050 -2.588000 1.457000 
1 1 1    3   11   29 o   9.6490   1.2440   9.8820   1.7110   9.4150   1.8070 0.4677000 2.488000 
1 1 1    3   11   30 o   4.5780   1.2390   3.4860   1.5730   5.6700   1.9150 -2.184000 2.478000 
1 1 1    3   11   31 o   3.5130   1.1470   2.9970   1.4440   4.0290   1.7830 -1.032000 2.294000 
1 1 1    3   11   32 o   3.7260   1.1830   4.0600   1.7390   3.3920   1.6050 0.6681000 2.366000 
1 1 1    3   11   33 o   6.4560   2.3970  ?   ?    6.4560   2.3970      ?      ? 
1 1 1    3   11   34 o   2.3010   0.8244   2.3220   1.1760   2.2800   1.1560 0.4202000E-01 1.649000 
1 1 1    3   11   35 o   2.4670   0.8747   2.5920   1.2890   2.3430   1.1820 0.2492000 1.749000 
1 1 1    3   13    0 o   15.250   0.3629   15.570   0.5043   14.930   0.5221 0.6371000 0.7259000 
1 1 1    3   13    1 o   37.480   0.2881   37.450   0.4074   37.520   0.4074 -0.6860000E-01 0.5762000 
1 1 1    3   13    2 o   56.210   0.3765   56.590   0.5351   55.830   0.5297 0.7610000 0.7529000 
1 1 1    3   13    3 o   65.360   0.4628   65.370   0.6057   65.340   0.6998 0.3511000E-01 0.9256000 
1 1 1    3   13    4 o   67.680   0.4428   67.760   0.6268   67.610   0.6257 0.1517000 0.8856000 
1 1 1    3   13    5 o   83.090   0.5344   83.150   0.7558   83.030   0.7556 0.1216000 1.069000 
1 1 1    3   13    6 o   7.8720   0.8020   6.6230   1.2980   9.1200   0.9418 -2.497000 1.604000 
1 1 1    3   13    7 o   11.660   0.5410   11.520   0.7650   11.790   0.7652 -0.2612000 1.082000 
1 1 1    3   13    8 o   35.280   0.3348   36.040   0.5089   34.520   0.4350 1.518000 0.6695000 
1 1 1    3   13    9 o   52.630   0.3710   53.060   0.5255   52.200   0.5239 0.8578000 0.7421000 
1 1 1    3   13   10 o   49.950   0.3612   50.130   0.5116   49.770   0.5100 0.3617000 0.7224000 
1 1 1    3   13   11 o   24.800   0.3486   24.330   0.4986   25.260   0.4872 -0.9227000 0.6971000 
1 1 1    3   13   12 o   25.210   0.5064   25.760   0.7122   24.650   0.7201 1.107000 1.013000 
1 1 1    3   13   13 f   53.010   0.5389   52.680   0.7580   53.330   0.7661 -0.6474000 1.078000 
1 1 1    3   13   14 o   21.490   0.4230   21.280   0.5879   21.710   0.6083 -0.4360000 0.8459000 
1 1 1    3   13   15 o   14.520   0.5970   14.460   0.8076   14.580   0.8794 -0.1199000 1.194000 
1 1 1    3   13   16 f   17.100   0.5124   16.380   0.7171   17.820   0.7322 -1.437000 1.025000 
1 1 1    3   13   17 o   18.450   0.4816   18.500   0.6551   18.400   0.7061 0.9832000E-01 0.9631000 
1 1 1    3   13   18 o   23.520   0.3961   23.260   0.5379   23.770   0.5815 -0.5160000 0.7921000 
1 1 1    3   13   19 o   12.810   0.9380   13.530   1.2240   12.090   1.4220 1.436000 1.876000 
1 1 1    3   13   20 o   15.740   0.5000   16.820   0.6459   14.650   0.7635 2.168000 1.000000 
1 1 1    3   13   21 o   13.100   0.5730   12.790   0.7942   13.410   0.8262 -0.6169000 1.146000 
1 1 1    3   13   22 o   12.590   0.5946   11.550   0.8600   13.630   0.8213 -2.088000 1.189000 
1 1 1    3   13   23 o   4.0660   1.1380   3.3340   1.4740   4.7980   1.7340 -1.464000 2.276000 
1 1 1    3   13   24 o   2.6740   0.9118   2.6590   1.2760   2.6880   1.3030 -0.2821000E-01 1.824000 
1 1 1    3   13   25 o   3.1820   1.0230   3.4070   1.4920   2.9570   1.4010 0.4498000 2.046000 
1 1 1    3   13   26 o   9.3690   0.8684   10.120   1.0110   8.6230   1.4120 1.493000 1.737000 
1 1 1    3   13   27 o   4.1700   1.1550   5.1060   1.7460   3.2340   1.5110 1.872000 2.309000 
1 1 1    3   13   28 o   6.1390   1.3820   4.2790   1.8660   7.9980   2.0400 -3.718000 2.765000 
1 1 1    3   13   29 o   4.0570   1.1930   3.3080   1.5240   4.8060   1.8350 -1.499000 2.386000 
1 1 1    3   13   30 o   4.7250   1.2740   3.4520   1.5810   5.9980   1.9970 -2.546000 2.547000 
1 1 1    3   13   31 o   3.7940   1.1830   2.8730   1.4020   4.7160   1.9050 -1.843000 2.366000 
1 1 1    3   13   32 o   5.9530   1.6360   6.6920   2.3660   5.2150   2.2620 1.477000 3.273000 
1 1 1    3   13   33 o   3.0150   1.0460   2.9660   1.4640   3.0640   1.4940 -0.9805000E-01 2.091000 
1 1 1    3   13   34 o   2.4340   0.8633   2.4390   1.2260   2.4290   1.2160 0.9787000E-02 1.727000 
1 1 1    3   15    0 o   17.020   0.3943   17.170   0.5541   16.880   0.5613 0.2908000 0.7887000 
1 1 1    3   15    1 o   57.780   0.3909   58.120   0.5558   57.440   0.5499 0.6891000 0.7818000 
1 1 1    3   15    2 o   70.030   0.4594   70.260   0.6518   69.800   0.6476 0.4577000 0.9188000 
1 1 1    3   15    3 o   44.670   0.3329   44.980   0.4729   44.360   0.4686 0.6165000 0.6657000 
1 1 1    3   15    4 o   41.700   0.3267   42.200   0.4616   41.190   0.4624 1.013000 0.6533000 
1 1 1    3   15    5 o   34.190   0.3160   34.650   0.4409   33.740   0.4529 0.9174000 0.6321000 
1 1 1    3   15    6 o   57.290   0.3950   57.400   0.5563   57.190   0.5609 0.2150000 0.7899000 
1 1 1    3   15    7 o   49.940   0.3626   49.800   0.5094   50.080   0.5163 -0.2746000 0.7253000 
1 1 1    3   15    8 o   47.860   0.3600   48.460   0.5109   47.260   0.5074 1.198000 0.7200000 
1 1 1    3   15    9 o   11.250   0.8088   11.840   1.0860   10.670   1.1990 1.164000 1.618000 
1 1 1    3   15   10 o   8.3940   1.3650   9.2990   1.7550   7.4890   2.0910 1.809000 2.730000 
1 1 1    3   15   11 o   19.970   0.6436   20.050   0.8937   19.900   0.9264 0.1455000 1.287000 
1 1 1    3   15   12 o   22.140   0.4320   22.250   0.5960   22.030   0.6254 0.2253000 0.8639000 
1 1 1    3   15   13 o   44.600   0.3652   44.470   0.5099   44.720   0.5230 -0.2560000 0.7304000 
1 1 1    3   15   14 f   9.0260   0.9858   8.8070   1.3910   9.2440   1.3970 -0.4370000 1.972000 
1 1 1    3   15   15 o   18.190   0.4947   18.580   0.6508   17.800   0.7453 0.7759000 0.9894000 
1 1 1    3   15   16 o   4.5530   1.2530   4.4800   1.7340   4.6260   1.8080 -0.1451000 2.505000 
1 1 1    3   15   17 o   14.290   0.8845   15.440   1.0650   13.130   1.4130 2.310000 1.769000 
1 1 1    3   15   18 o   8.2470   1.3710   9.2640   1.6570   7.2290   2.1840 2.035000 2.742000 
1 1 1    3   15   19 o   14.340   0.5522   13.710   0.7679   14.970   0.7938 -1.257000 1.104000 
1 1 1    3   15   20 o   10.880   0.6832   10.980   0.9145   10.780   1.0150 0.2059000 1.366000 
1 1 1    3   15   21 o   11.630   0.6563   11.080   0.9126   12.190   0.9434 -1.109000 1.313000 
1 1 1    3   15   22 o   22.780   0.3884   22.740   0.5249   22.830   0.5727 -0.8781000E-01 0.7769000 
1 1 1    3   15   23 o   3.8870   1.1290   3.2300   1.4550   4.5430   1.7260 -1.313000 2.258000 
1 1 1    3   15   24 o   8.7700   0.8918   8.9340   1.1630   8.6070   1.3520 0.3262000 1.784000 
1 1 1    3   15   25 o   5.3660   1.1750   6.5610   1.6040   4.1700   1.7160 2.391000 2.349000 
1 1 1    3   15   26 o   3.3740   1.1190   3.3620   1.5720   3.3850   1.5940 -0.2322000E-01 2.239000 
1 1 1    3   15   27 o   5.1730   1.4140   3.8760   1.7830   6.4700   2.1950 -2.595000 2.827000 
1 1 1    3   15   28 o   14.980   0.6324   15.100   0.8318   14.870   0.9528 0.2355000 1.265000 
1 1 1    3   15   29 o   5.1340   1.3570   5.3440   1.8970   4.9240   1.9410 0.4193000 2.714000 
1 1 1    3   15   30 o   3.6410   1.1790   3.6290   1.6420   3.6530   1.6920 -0.2389000E-01 2.357000 
1 1 1    3   15   31 o   7.4870   1.3710   9.7630   1.7140   5.2100   2.1400 4.553000 2.742000 
1 1 1    3   15   32 o   2.7410   0.9683   2.4430   1.2370   3.0380   1.4900 -0.5950000 1.937000 
1 1 1    3   15   33 o   2.7450   0.9539   2.8220   1.3800   2.6680   1.3170 0.1542000 1.908000 
1 1 1    3   17    0 o   54.260   0.3836   54.770   0.5462   53.760   0.5386 1.008000 0.7671000 
1 1 1    3   17    1 o   67.690   0.4521   68.250   0.6440   67.140   0.6348 1.119000 0.9043000 
1 1 1    3   17    2 o   35.100   0.3303   35.460   0.4687   34.730   0.4656 0.7277000 0.6607000 
1 1 1    3   17    3 o   42.420   0.3941   42.870   0.5653   41.970   0.5492 0.9031000 0.7882000 
1 1 1    3   17    4 o   57.940   0.4689   58.240   0.6665   57.630   0.6597 0.6129000 0.9378000 
1 1 1    3   17    5 o   18.650   0.6196   18.730   0.8011   18.560   0.9453 0.1746000 1.239000 
1 1 1    3   17    6 o   64.780   0.6277   64.970   0.8920   64.580   0.8832 0.3923000 1.255000 
1 1 1    3   17    7 o   23.200   0.6124   23.060   0.8939   23.330   0.8373 -0.2747000 1.225000 
1 1 1    3   17    8 o   18.540   0.6087   18.740   0.8364   18.340   0.8846 0.4028000 1.217000 
1 1 1    3   17    9 o   14.050   0.6609   12.900   0.9764   15.210   0.8909 -2.310000 1.322000 
1 1 1    3   17   10 o   47.800   0.3810   47.730   0.5365   47.860   0.5410 -0.1286000 0.7619000 
1 1 1    3   17   11 o   22.930   0.4405   23.230   0.6048   22.630   0.6406 0.5952000 0.8810000 
1 1 1    3   17   12 o   21.150   0.4626   21.710   0.6370   20.590   0.6711 1.120000 0.9253000 
1 1 1    3   17   13 f   37.630   0.3627   37.940   0.5036   37.320   0.5222 0.6264000 0.7254000 
1 1 1    3   17   14 o   16.590   0.5476   15.810   0.7804   17.370   0.7683 -1.559000 1.095000 
1 1 1    3   17   15 o   34.990   0.5248   34.450   0.7336   35.520   0.7506 -1.068000 1.050000 
1 1 1    3   17   16 o   30.780   0.5239   31.150   0.7215   30.410   0.7598 0.7370000 1.048000 
1 1 1    3   17   17 o   19.010   0.4511   19.530   0.6098   18.490   0.6649 1.038000 0.9021000 
1 1 1    3   17   18 o   5.9410   1.1910   6.5310   1.5980   5.3510   1.7650 1.179000 2.381000 
1 1 1    3   17   19 o   3.7800   1.1280   3.8800   1.6010   3.6800   1.5900 0.2004000 2.257000 
1 1 1    3   17   20 o   25.110   0.3932   25.670   0.5698   24.560   0.5420 1.118000 0.7864000 
1 1 1    3   17   21 o   12.510   0.6151   12.080   0.8523   12.930   0.8873 -0.8542000 1.230000 
1 1 1    3   17   22 o   25.340   0.3765   25.360   0.5206   25.320   0.5442 0.4233000E-01 0.7531000 
1 1 1    3   17   23 o   5.2750   1.2290   5.6160   1.6900   4.9340   1.7830 0.6814000 2.457000 
1 1 1    3   17   24 o   4.5760   1.2440   4.6860   1.7410   4.4670   1.7760 0.2185000 2.487000 
1 1 1    3   17   25 o   5.9120   1.3240   7.6030   1.9050   4.2210   1.8380 3.382000 2.647000 
1 1 1    3   17   26 o   6.6040   1.5560   6.5830   2.1780   6.6250   2.2240 -0.4186000E-01 3.113000 
1 1 1    3   17   27 o   10.260   0.9855   8.1540   1.6010   12.370   1.1500 -4.216000 1.971000 
1 1 1    3   17   28 o   8.3440   1.1980   8.5320   1.6200   8.1560   1.7640 0.3764000 2.395000 
1 1 1    3   17   29 o   3.7250   1.1770   4.3340   1.8100   3.1160   1.5040 1.218000 2.353000 
1 1 1    3   17   30 o   3.6890   1.2520   4.3060   1.9700   3.0720   1.5450 1.234000 2.504000 
1 1 1    3   17   31 o   3.4700   1.1680   3.2200   1.5550   3.7200   1.7430 -0.5002000 2.336000 
1 1 1    3   17   32 o   2.1480   0.7729   2.2350   1.1310   2.0610   1.0540 0.1733000 1.546000 
1 1 1    3   19    0 o   37.920   0.4051   37.330   0.5766   38.520   0.5692 -1.198000 0.8102000 
1 1 1    3   19    1 o   30.670   0.4190   30.370   0.6007   30.970   0.5843 -0.6035000 0.8380000 
1 1 1    3   19    2 o   28.000   0.3837   27.820   0.5471   28.170   0.5381 -0.3522000 0.7674000 
1 1 1    3   19    3 o   54.820   0.3996   54.900   0.5649   54.740   0.5654 0.1534000 0.7992000 
1 1 1    3   19    4 o   16.220   0.5971   16.610   0.8087   15.830   0.8788 0.7808000 1.194000 
1 1 1    3   19    5 o   12.130   0.7844   12.120   1.0920   12.150   1.1260 -0.2818000E-01 1.569000 
1 1 1    3   19    6 o   28.890   0.4257   28.940   0.5386   28.830   0.6594 0.1141000 0.8514000 
1 1 1    3   19    7 o   9.8180   0.9676   9.3640   1.4180   10.270   1.3170 -0.9082000 1.935000 
1 1 1    3   19    8 o   31.090   0.3740   30.860   0.5208   31.330   0.5370 -0.4674000 0.7481000 
1 1 1    3   19    9 o   25.290   0.4068   24.660   0.5627   25.910   0.5876 -1.249000 0.8136000 
1 1 1    3   19   10 o   40.830   0.3623   41.190   0.5018   40.470   0.5227 0.7138000 0.7245000 
1 1 1    3   19   11 o   13.160   0.6973   12.800   0.9944   13.530   0.9778 -0.7241000 1.395000 
1 1 1    3   19   12 o   19.910   0.6815   21.390   0.8720   18.430   1.0480 2.961000 1.363000 
1 1 1    3   19   13 o   34.600   0.5152   35.710   0.7012   33.480   0.7549 2.235000 1.030000 
1 1 1    3   19   14 o   23.340   0.4125   23.440   0.5682   23.240   0.5981 0.1958000 0.8250000 
1 1 1    3   19   15 o   13.170   0.6289   13.320   0.8309   13.010   0.9444 0.3048000 1.258000 
1 1 1    3   19   16 f   12.960   0.6244   12.940   0.8610   12.970   0.9045 -0.2358000E-01 1.249000 
1 1 1    3   19   17 o   5.3650   1.1190   3.6650   1.5810   7.0650   1.5830 -3.400000 2.238000 
1 1 1    3   19   18 o   3.4130   1.0680   3.8580   1.6130   2.9690   1.4000 0.8888000 2.136000 
1 1 1    3   19   19 o   20.530   0.4238   20.530   0.5838   20.520   0.6146 0.5465000E-02 0.8477000 
1 1 1    3   19   20 o   10.740   0.7516   11.080   1.0180   10.400   1.1060 0.6841000 1.503000 
1 1 1    3   19   21 o   8.0790   1.0130   8.6530   1.3120   7.5060   1.5430 1.148000 2.025000 
1 1 1    3   19   22 o   8.5230   0.9667   8.1430   1.3650   8.9020   1.3690 -0.7585000 1.933000 
1 1 1    3   19   23 o   5.4980   1.2990   5.8280   1.7950   5.1690   1.8790 0.6587000 2.598000 
1 1 1    3   19   24 o   4.7820   1.4320   4.6740   1.9700   4.8910   2.0780 -0.2174000 2.863000 
1 1 1    3   19   25 o   5.8610   1.2750   4.1450   1.7600   7.5770   1.8450 -3.432000 2.549000 
1 1 1    3   19   26 o   3.8050   1.2010   3.5760   1.6230   4.0340   1.7710 -0.4581000 2.403000 
1 1 1    3   19   27 o   8.7810   1.1300   8.5540   1.6090   9.0080   1.5880 -0.4541000 2.261000 
1 1 1    3   19   28 o   7.5940   1.2890   7.5430   1.8000   7.6460   1.8470 -0.1032000 2.579000 
1 1 1    3   19   29 o   3.5320   1.2240   3.3500   1.6460   3.7140   1.8110 -0.3645000 2.447000 
1 1 1    3   19   30 o   3.1510   1.0610   3.2620   1.5360   3.0410   1.4650 0.2213000 2.122000 
1 1 1    3   19   31 o   2.9520   1.0070   2.5240   1.2570   3.3790   1.5740 -0.8550000 2.014000 
1 1 1    3   21    0 o   43.220   0.3563   43.420   0.5054   43.010   0.5023 0.4088000 0.7126000 
1 1 1    3   21    1 o   35.360   0.3484   35.640   0.4939   35.080   0.4914 0.5604000 0.6967000 
1 1 1    3   21    2 o   26.540   0.3799   26.240   0.5448   26.840   0.5297 -0.5957000 0.7598000 
1 1 1    3   21    3 o   22.280   0.4250   21.750   0.6151   22.810   0.5865 -1.063000 0.8499000 
1 1 1    3   21    4 o   27.250   0.3879   27.410   0.5325   27.080   0.5643 0.3256000 0.7759000 
1 1 1    3   21    5 o   27.380   0.3868   27.270   0.5353   27.500   0.5586 -0.2230000 0.7737000 
1 1 1    3   21    6 o   20.430   0.4594   20.820   0.6320   20.050   0.6668 0.7735000 0.9187000 
1 1 1    3   21    7 o   13.070   0.7773   12.830   1.1160   13.310   1.0820 -0.4772000 1.555000 
1 1 1    3   21    8 o   12.420   0.9458   11.680   1.2780   13.160   1.3950 -1.483000 1.892000 
1 1 1    3   21    9 o   6.2980   1.5020   6.2750   2.0110   6.3220   2.2310 -0.4748000E-01 3.003000 
1 1 1    3   21   10 o   5.7980   1.3890   6.9680   1.9140   4.6280   2.0140 2.340000 2.778000 
1 1 1    3   21   11 o   16.750   0.5178   16.880   0.6753   16.630   0.7851 0.2594000 1.036000 
1 1 1    3   21   12 o   19.770   0.4439   19.810   0.5921   19.730   0.6616 0.7410000E-01 0.8879000 
1 1 1    3   21   13 o   21.000   0.4372   21.370   0.6061   20.630   0.6304 0.7378000 0.8745000 
1 1 1    3   21   14 o   10.790   0.7786   10.340   1.1230   11.250   1.0790 -0.9122000 1.557000 
1 1 1    3   21   15 o   25.760   0.3951   26.110   0.5682   25.410   0.5492 0.7053000 0.7902000 
1 1 1    3   21   16 o   8.4320   0.9768   8.5190   1.3520   8.3450   1.4100 0.1737000 1.954000 
1 1 1    3   21   17 o   16.790   0.5073   16.480   0.7200   17.100   0.7148 -0.6121000 1.015000 
1 1 1    3   21   18 o   8.3400   1.0030   7.2320   1.5710   9.4480   1.2480 -2.216000 2.006000 
1 1 1    3   21   19 o   15.820   0.5534   15.200   0.7913   16.440   0.7739 -1.238000 1.107000 
1 1 1    3   21   20 o   11.940   0.7315   12.820   0.9218   11.070   1.1360 1.755000 1.463000 
1 1 1    3   21   21 o   6.4640   1.2370   5.2290   1.8350   7.6990   1.6590 -2.470000 2.474000 
1 1 1    3   21   22 o   4.1890   1.3390   4.7250   2.0400   3.6540   1.7370 1.071000 2.679000 
1 1 1    3   21   23 o   7.7500   1.2780   6.0550   1.9610   9.4450   1.6400 -3.390000 2.556000 
1 1 1    3   21   24 o   5.0810   1.2950   6.0030   1.8570   4.1600   1.8040 1.844000 2.589000 
1 1 1    3   21   25 o   4.0480   1.2440   4.2270   1.7870   3.8690   1.7300 0.3575000 2.488000 
1 1 1    3   21   26 o   5.6810   1.2550   3.8400   1.6980   7.5230   1.8470 -3.683000 2.509000 
1 1 1    3   21   27 o   7.9440   1.4050   8.3070   1.8720   7.5800   2.0950 0.7269000 2.809000 
1 1 1    3   21   28 o   2.5260   0.9040   2.4800   1.2560   2.5710   1.3010 -0.9107000E-01 1.808000 
1 1 1    3   21   29 o   2.2760   0.8147   2.5230   1.2550   2.0280   1.0390 0.4954000 1.629000 
1 1 1    3   23    0 o   17.420   0.6813   17.560   0.8580   17.290   1.0590 0.2647000 1.363000 
1 1 1    3   23    1 o   20.980   0.5886   21.340   0.7461   20.630   0.9107 0.7016000 1.177000 
1 1 1    3   23    2 o   23.880   0.5459   24.180   0.7007   23.580   0.8372 0.5979000 1.092000 
1 1 1    3   23    3 o   12.410   0.7528   12.210   1.0270   12.600   1.1010 -0.3871000 1.506000 
1 1 1    3   23    4 o   32.760   0.4081   32.090   0.5429   33.430   0.6095 -1.342000 0.8162000 
1 1 1    3   23    5 o   36.660   0.4031   36.700   0.5419   36.610   0.5970 0.8630000E-01 0.8062000 
1 1 1    3   23    6 o   18.030   0.4933   18.490   0.6500   17.570   0.7422 0.9143000 0.9866000 
1 1 1    3   23    7 o   7.0280   1.1510   7.6880   1.4680   6.3690   1.7740 1.318000 2.303000 
1 1 1    3   23    8 o   18.270   0.4693   17.800   0.6489   18.750   0.6783 -0.9517000 0.9387000 
1 1 1    3   23    9 o   23.040   0.4045   23.060   0.5439   23.020   0.5988 0.4547000E-01 0.8090000 
1 1 1    3   23   10 o   3.9650   1.1410   2.8400   1.3500   5.0900   1.8400 -2.250000 2.283000 
1 1 1    3   23   11 o   7.2220   1.1000   8.6190   1.2330   5.8240   1.8220 2.796000 2.199000 
1 1 1    3   23   12 o   5.2160   1.2510   4.8140   1.7250   5.6170   1.8120 -0.8034000 2.502000 
1 1 1    3   23   13 o   13.450   0.6188   12.930   0.8671   13.980   0.8829 -1.052000 1.238000 
1 1 1    3   23   14 o   6.1130   1.1770   7.2490   1.4830   4.9770   1.8290 2.272000 2.355000 
1 1 1    3   23   15 o   3.2290   1.0610   3.0080   1.4240   3.4500   1.5730 -0.4423000 2.122000 
1 1 1    3   23   16 o   16.760   0.5354   17.240   0.7219   16.270   0.7909 0.9731000 1.071000 
1 1 1    3   23   17 o   11.080   0.8059   10.470   1.1710   11.680   1.1070 -1.208000 1.612000 
1 1 1    3   23   18 o   5.6660   1.2810   4.5820   1.7920   6.7490   1.8310 -2.167000 2.562000 
1 1 1    3   23   19 o   6.8650   1.2970   6.3970   1.8460   7.3320   1.8230 -0.9353000 2.594000 
1 1 1    3   23   20 o   6.8470   1.5370   8.1270   2.1340   5.5680   2.2130 2.559000 3.074000 
1 1 1    3   23   21 o   10.090   1.0990   10.720   1.3640   9.4720   1.7230 1.243000 2.198000 
1 1 1    3   23   22 o   3.4390   1.1160   2.6110   1.2940   4.2680   1.8200 -1.658000 2.233000 
1 1 1    3   23   23 o   2.9510   1.0150   2.5850   1.2870   3.3160   1.5710 -0.7312000 2.031000 
1 1 1    3   23   24 o   9.7880   1.0540   10.500   1.3080   9.0730   1.6520 1.430000 2.107000 
1 1 1    3   23   25 o   5.2190   1.3960   6.3230   2.0730   4.1160   1.8690 2.207000 2.791000 
1 1 1    3   23   26 o   4.9890   1.4920   3.5500   1.7240   6.4280   2.4350 -2.878000 2.984000 
1 1 1    3   23   27 o   4.6840   1.2870   3.8490   1.7050   5.5180   1.9280 -1.668000 2.573000 
1 1 1    3   23   28 o   2.1260   0.7742   2.3960   1.2130   1.8550   0.9624 0.5411000 1.548000 
1 1 1    3   25    0 o   12.330   0.6330   11.850   0.9016   12.810   0.8887 -0.9560000 1.266000 
1 1 1    3   25    1 f   19.560   0.4299   19.280   0.6026   19.830   0.6133 -0.5495000 0.8598000 
1 1 1    3   25    2 o   17.410   0.4702   17.580   0.6465   17.240   0.6830 0.3329000 0.9404000 
1 1 1    3   25    3 o   23.910   0.3829   23.590   0.5378   24.220   0.5452 -0.6301000 0.7658000 
1 1 1    3   25    4 o   31.700   0.3552   31.950   0.4841   31.450   0.5200 0.4963000 0.7105000 
1 1 1    3   25    5 o   17.610   0.4892   17.170   0.6724   18.060   0.7108 -0.8973000 0.9784000 
1 1 1    3   25    6 o   14.140   0.5991   14.790   0.7651   13.500   0.9221 1.282000 1.198000 
1 1 1    3   25    7 o   11.370   0.7294   11.520   0.9665   11.220   1.0930 0.3007000 1.459000 
1 1 1    3   25    8 o   7.5650   1.1150   7.9550   1.4330   7.1760   1.7080 0.7787000 2.229000 
1 1 1    3   25    9 o   5.7160   1.2760   5.3840   1.7580   6.0490   1.8510 -0.6647000 2.552000 
1 1 1    3   25   10 o   6.2380   1.2190   5.1120   1.7690   7.3630   1.6770 -2.251000 2.438000 
1 1 1    3   25   11 o   15.440   0.5635   15.740   0.7316   15.140   0.8573 0.6034000 1.127000 
1 1 1    3   25   12 o   15.030   0.5782   15.810   0.7405   14.250   0.8881 1.563000 1.156000 
1 1 1    3   25   13 o   17.800   0.5164   18.160   0.6913   17.430   0.7674 0.7251000 1.033000 
1 1 1    3   25   14 o   11.120   0.7984   11.660   1.0100   10.580   1.2370 1.078000 1.597000 
1 1 1    3   25   15 o   11.300   0.7972   12.040   0.9981   10.550   1.2430 1.488000 1.594000 
1 1 1    3   25   16 o   22.230   0.4439   22.710   0.5815   21.760   0.6708 0.9524000 0.8878000 
1 1 1    3   25   17 o   10.250   1.3440   10.570   1.8060   9.9340   1.9910 0.6403000 2.688000 
1 1 1    3   25   18 o   7.0210   1.6650   7.4900   2.3660   6.5530   2.3440 0.9370000 3.330000 
1 1 1    3   25   19 f   8.6160   1.1750   7.9970   1.7720   9.2360   1.5430 -1.238000 2.349000 
1 1 1    3   25   20 o   3.7580   1.2080   3.9010   1.7460   3.6150   1.6690 0.2860000 2.416000 
1 1 1    3   25   21 o   8.8940   1.1650   9.3670   1.5580   8.4210   1.7330 0.9456000 2.330000 
1 1 1    3   25   22 o   7.3580   1.3010   5.8120   1.9790   8.9030   1.6900 -3.091000 2.603000 
1 1 1    3   25   23 o   3.7490   1.2270   3.6740   1.7010   3.8230   1.7680 -0.1497000 2.454000 
1 1 1    3   25   24 o   2.8480   1.0140   3.1090   1.5410   2.5870   1.3180 0.5228000 2.028000 
1 1 1    3   25   25 o   2.8330   0.9793   2.7520   1.3460   2.9130   1.4230 -0.1607000 1.959000 
1 1 1    3   25   26 o   2.3730   0.8522   2.5200   1.2690   2.2260   1.1380 0.2946000 1.704000 
1 1 1    3   27    0 f   20.090   0.4368   19.980   0.6221   20.190   0.6132 -0.2060000 0.8736000 
1 1 1    3   27    1 o   32.260   0.3462   32.060   0.4890   32.460   0.4902 -0.4007000 0.6924000 
1 1 1    3   27    2 o   4.1230   1.1980   4.2710   1.7120   3.9750   1.6770 0.2957000 2.396000 
1 1 1    3   27    3 o   10.370   0.8135   10.970   1.0720   9.7660   1.2240 1.202000 1.627000 
1 1 1    3   27    4 o   14.850   0.5958   15.150   0.7871   14.550   0.8947 0.5995000 1.192000 
1 1 1    3   27    5 o   12.930   0.6796   12.340   0.9599   13.510   0.9624 -1.174000 1.359000 
1 1 1    3   27    6 o   9.2620   0.9486   9.5480   1.2340   8.9750   1.4410 0.5726000 1.897000 
1 1 1    3   27    7 o   5.6020   1.2960   5.4550   1.8030   5.7480   1.8620 -0.2926000 2.592000 
1 1 1    3   27    8 o   11.660   0.8003   13.350   0.9117   9.9730   1.3160 3.381000 1.601000 
1 1 1    3   27    9 o   11.830   0.7461   11.280   1.0620   12.390   1.0480 -1.114000 1.492000 
1 1 1    3   27   10 o   5.1390   1.2530   6.0550   1.7760   4.2220   1.7670 1.833000 2.505000 
1 1 1    3   27   11 o   4.0120   1.2120   3.5910   1.6050   4.4320   1.8160 -0.8410000 2.424000 
1 1 1    3   27   12 o   11.700   0.8014   12.560   0.9731   10.830   1.2740 1.731000 1.603000 
1 1 1    3   27   13 o   11.370   1.2100   13.000   1.3760   9.7430   1.9900 3.259000 2.420000 
1 1 1    3   27   14 o   5.9450   1.5790   6.2960   2.2450   5.5930   2.2200 0.7036000 3.157000 
1 1 1    3   27   15 o   10.310   1.3970   12.040   1.6830   8.5690   2.2300 3.474000 2.793000 
1 1 1    3   27   16 o   9.3030   1.0820   10.610   1.2570   7.9940   1.7630 2.617000 2.165000 
1 1 1    3   27   17 o   7.4640   1.2680   8.6350   1.5780   6.2930   1.9840 2.342000 2.535000 
1 1 1    3   27   18 o   3.9200   1.2170   4.2740   1.7930   3.5650   1.6460 0.7086000 2.433000 
1 1 1    3   27   19 o   7.7070   1.2950   7.6910   1.7940   7.7230   1.8690 -0.3261000E-01 2.590000 
1 1 1    3   27   20 o   6.4170   1.4060   6.0740   1.9930   6.7610   1.9830 -0.6872000 2.812000 
1 1 1    3   27   21 f   3.4580   1.1950   3.3780   1.6540   3.5390   1.7270 -0.1611000 2.391000 
1 1 1    3   27   22 o   3.4630   1.1890   3.5950   1.7210   3.3310   1.6410 0.2637000 2.378000 
1 1 1    3   27   23 o   2.3790   0.8496   2.0890   1.0650   2.6690   1.3240 -0.5805000 1.699000 
1 1 1    3   29    0 o   7.1280   1.1660   6.2080   1.7590   8.0490   1.5320 -1.840000 2.333000 
1 1 1    3   29    1 o   5.2360   1.1940   3.7980   1.6380   6.6740   1.7360 -2.876000 2.387000 
1 1 1    3   29    2 o   9.4880   0.9235   8.5750   1.4260   10.400   1.1740 -1.826000 1.847000 
1 1 1    3   29    3 o   4.4540   1.2460   3.1970   1.4910   5.7100   1.9960 -2.513000 2.492000 
1 1 1    3   29    4 o   11.020   0.8301   11.520   1.0830   10.510   1.2590 1.008000 1.660000 
1 1 1    3   29    5 f   16.060   0.5868   15.920   0.7993   16.190   0.8592 -0.2701000 1.174000 
1 1 1    3   29    6 o   4.6830   1.3570   4.3070   1.8400   5.0590   1.9940 -0.7516000 2.714000 
1 1 1    3   29    7 o   12.500   0.8981   14.510   1.0080   10.480   1.4870 4.039000 1.796000 
1 1 1    3   29    8 o   14.540   1.3490   14.540   1.3490  ?   ?       ?      ? 
1 1 1    3   29    9 o   4.7280   1.4750   4.8290   2.1010   4.6260   2.0700 0.2033000 2.949000 
1 1 1    3   29   10 o   4.4030   1.4070   4.3540   1.9620   4.4520   2.0190 -0.9871000E-01 2.815000 
1 1 1    3   29   11 o   4.3070   1.3010   4.1960   1.8420   4.4180   1.8370 -0.2217000 2.602000 
1 1 1    3   29   12 o   4.8750   1.3060   4.2330   1.7830   5.5160   1.9090 -1.282000 2.612000 
1 1 1    3   29   13 o   4.7510   1.3010   5.4670   1.9220   4.0350   1.7550 1.432000 2.602000 
1 1 1    3   29   14 o   4.7550   1.3090   5.5300   1.9350   3.9800   1.7630 1.549000 2.618000 
1 1 1    3   29   15 o   7.4050   1.3220   7.6860   1.7720   7.1240   1.9630 0.5618000 2.644000 
1 1 1    3   29   16 o   4.2190   1.2690   4.6330   1.8640   3.8050   1.7230 0.8275000 2.539000 
1 1 1    3   29   17 o   7.3040   1.3210   6.3250   1.9670   8.2830   1.7630 -1.957000 2.642000 
1 1 1    3   29   18 o   3.3960   1.1760   3.5620   1.7220   3.2290   1.6030 0.3334000 2.353000 
1 1 1    3   29   19 o   3.5550   1.2150   3.3980   1.6560   3.7120   1.7770 -0.3133000 2.430000 
1 1 1    3   29   20 o   2.2080   0.7944   1.9730   1.0110   2.4430   1.2260 -0.4699000 1.589000 
1 1 1    3   29   21 o   1.8300   0.6745   1.7890   0.9325   1.8710   0.9747 -0.8191000E-01 1.349000 
1 1 1    3   31    0 o   8.3200   1.3000   9.5520   1.6430   7.0880   2.0160 2.464000 2.601000 
1 1 1    3   31    1 o   6.0710   1.4600   6.3780   2.0720   5.7640   2.0580 0.6136000 2.921000 
1 1 1    3   31    2 f   6.6350   1.4480   6.1900   2.0710   7.0800   2.0250 -0.8900000 2.897000 
1 1 1    3   31    3 o   6.9000   1.4630   4.7960   1.9710   9.0040   2.1620 -4.208000 2.926000 
1 1 1    3   31    4 o   13.800   0.7202   14.390   0.9736   13.220   1.0610 1.172000 1.440000 
1 1 1    3   31    5 o   7.6190   1.2320   9.0510   1.5160   6.1860   1.9420 2.865000 2.463000 
1 1 1    3   31    6 o   8.5350   1.1630   8.3760   1.6530   8.6940   1.6360 -0.3182000 2.326000 
1 1 1    3   31    7 o   5.7400   1.3300   4.4330   1.8390   7.0470   1.9210 -2.614000 2.660000 
1 1 1    3   31    8 o   6.4220   1.3660   6.1920   1.9300   6.6520   1.9330 -0.4599000 2.731000 
1 1 1    3   31    9 o   4.4660   1.2960   4.8740   1.8920   4.0590   1.7720 0.8148000 2.593000 
1 1 1    3   31   10 o   8.2170   1.1880   7.1480   1.8130   9.2850   1.5350 -2.137000 2.376000 
1 1 1    3   31   11 o   3.3310   1.0990   3.6650   1.6520   2.9980   1.4520 0.6671000 2.199000 
1 1 1    3   31   12 o   4.3770   1.2840   4.6520   1.8430   4.1030   1.7890 0.5485000 2.568000 
1 1 1    3   31   13 o   3.1010   1.0520   3.1590   1.5030   3.0430   1.4720 0.1160000 2.104000 
1 1 1    3   31   14 o   2.8550   1.0230   3.4310   1.6760   2.2800   1.1730 1.152000 2.045000 
1 1 1    3   31   15 o   3.6140   1.2120   4.5660   2.0140   2.6620   1.3510 1.905000 2.425000 
1 1 1    3   31   16 o   2.6850   0.9498   2.9800   1.4610   2.3910   1.2140 0.5890000 1.900000 
1 1 1    3   31   17 f   2.4200   0.8566   2.5380   1.2600   2.3030   1.1610 0.2348000 1.713000 
1 1 1    3   33    0 o   4.6790   1.3970   4.9060   2.0900   4.4520   1.8550 0.4540000 2.794000 
1 1 1    3   33    1 o   8.7240   1.3430   7.5300   2.2460   9.9190   1.4730 -2.390000 2.686000 
1 1 1    3   33    2 o   8.0120   1.3660   6.4270   2.2720   9.5970   1.5160 -3.170000 2.732000 
1 1 1    3   33    3 o   4.7670   1.3670   4.5870   1.9340   4.9480   1.9340 -0.3609000 2.735000 
1 1 1    3   33    4 o   5.0090   1.3350   5.7560   1.9480   4.2610   1.8260 1.495000 2.670000 
1 1 1    3   33    5 f   2.6360   0.9254   2.9070   1.4130   2.3650   1.1950 0.5423000 1.851000 
1 1 1    3   33    6 o   2.6730   0.9340   3.0960   1.4780   2.2510   1.1420 0.8456000 1.868000 
1 1 1    3   33    7 o   2.4620   0.8812   2.3780   1.2070   2.5470   1.2850 -0.1692000 1.762000 
1 1 1    3   33    8 o   3.5430   1.1790   3.6540   1.7010   3.4330   1.6330 0.2207000 2.358000 
1 1 1    3   33    9 o   3.6080   1.2190   3.7760   1.7770   3.4400   1.6690 0.3355000 2.438000 
1 1 1    3   33   10 o   3.3530   1.1530   3.7470   1.7710   2.9580   1.4760 0.7893000 2.306000 
1 1 1    3   33   11 o   2.2850   0.8213   2.2130   1.1270   2.3570   1.1950 -0.1439000 1.643000 
1 1 1    3   33   12 o   2.5010   0.8805   2.6190   1.2920   2.3830   1.1970 0.2357000 1.761000 
1 1 1    3   35    0 o   4.6540   1.3250   5.3100   1.9740   3.9970   1.7680 1.313000 2.650000 
1 1 1    3   35    1 o   2.3220   0.8332   2.5210   1.2650   2.1220   1.0850 0.3987000 1.666000 
1 1 1    3   35    2 o   2.3000   0.8296   2.1470   1.0950   2.4520   1.2460 -0.3046000 1.659000 
1 1 1    3   35    3 o   2.0690   0.7596   2.0700   1.0740   2.0690   1.0740 0.4671000E-03 1.519000 
1 1 1    4    0    0 o   46.200   0.4109   46.200   0.4109   46.200   0.4109 -0.000000 0.000000 
1 1 1    4    0    1 o   18.580   0.2059   18.580   0.2059   18.580   0.2059 -0.000000 0.000000 
1 1 1    4    0    2 o   18.930   0.1899   18.930   0.1899   18.930   0.1899 0.000000 0.000000 
1 1 1    4    0    3 o   7.6080   0.2438   7.6080   0.2438   7.6080   0.2438 -0.000000 0.000000 
1 1 1    4    0    4 o  103.100   1.2960  103.100   1.2960  103.100   1.2960 0.000000 0.000000 
1 1 1    4    0    5 o   80.380   0.7163   80.380   0.7163   80.380   0.7163 -0.000000 0.000000 
1 1 1    4    0    6 o  137.200   1.2180  137.200   1.2180  137.200   1.2180 -0.000000 0.000000 
1 1 1    4    0    7 o  212.900   1.8900  212.900   1.8900  212.900   1.8900 -0.000000 0.000000 
1 1 1    4    0    8 o  102.400   0.9123  102.400   0.9123  102.400   0.9123 0.000000 0.000000 
1 1 1    4    0    9 o   43.200   0.5764   43.200   0.5764   43.200   0.5764 0.000000 0.000000 
1 1 1    4    0   10 o   26.280   0.4452   26.280   0.4452   26.280   0.4452 0.000000 0.000000 
1 1 1    4    0   11 o   11.400   0.4447   11.400   0.4447   11.400   0.4447 -0.000000 0.000000 
1 1 1    4    0   12 o   15.750   0.3806   15.750   0.3806   15.750   0.3806 0.000000 0.000000 
1 1 1    4    0   13 o   4.6030   1.4140   4.6030   1.4140   4.6030   1.4140 0.000000 0.000000 
1 1 1    4    0   14 f   28.830   0.3572   28.830   0.3572   28.830   0.3572 0.000000 0.000000 
1 1 1    4    0   15 o   31.680   0.3798   31.680   0.3798   31.680   0.3798 -0.000000 0.000000 
1 1 1    4    0   16 f   43.300   0.4505   43.300   0.4505   43.300   0.4505 0.000000 0.000000 
1 1 1    4    0   17 o   58.340   0.5559   58.340   0.5559   58.340   0.5559 -0.000000 0.000000 
1 1 1    4    0   18 o   22.420   0.6612   22.420   0.6612   22.420   0.6612 -0.000000 0.000000 
1 1 1    4    0   19 o   47.190   0.5014   47.190   0.5014   47.190   0.5014 0.000000 0.000000 
1 1 1    4    0   20 o   5.3130   2.0790   5.3130   2.0790   5.3130   2.0790 -0.000000 0.000000 
1 1 1    4    0   21 o   4.4770   2.0710   4.4770   2.0710   4.4770   2.0710 0.000000 0.000000 
1 1 1    4    0   22 f   4.8310   2.0950   4.8310   2.0950   4.8310   2.0950 -0.000000 0.000000 
1 1 1    4    0   23 o   2.4460   1.7190   2.4460   1.7190   2.4460   1.7190 -0.000000 0.000000 
1 1 1    4    0   24 o   38.760   0.4669   38.760   0.4669   38.760   0.4669 0.000000 0.000000 
1 1 1    4    0   25 o   18.640   0.6063   18.640   0.6063   18.640   0.6063 -0.000000 0.000000 
1 1 1    4    0   26 o   4.2210   2.0340   4.2210   2.0340   4.2210   2.0340 -0.000000 0.000000 
1 1 1    4    0   27 o   15.630   0.6585   15.630   0.6585   15.630   0.6585 0.000000 0.000000 
1 1 1    4    0   28 o   3.4460   1.9360   3.4460   1.9360   3.4460   1.9360 -0.000000 0.000000 
1 1 1    4    0   29 o   7.0450   1.7390   7.0450   1.7390   7.0450   1.7390 -0.000000 0.000000 
1 1 1    4    0   30 o   4.6890   2.1920   4.6890   2.1920   4.6890   2.1920 -0.000000 0.000000 
1 1 1    4    0   31 o   3.9380   2.3170   3.9380   2.3170   3.9380   2.3170 -0.000000 0.000000 
1 1 1    4    0   32 o   2.8660   1.8370   2.8660   1.8370   2.8660   1.8370 0.000000 0.000000 
1 1 1    4    0   33 o   10.340   1.3860   10.340   1.3860   10.340   1.3860 0.000000 0.000000 
1 1 1    4    0   34 o   2.4790   1.7010   2.4790   1.7010   2.4790   1.7010 -0.000000 0.000000 
1 1 1    4    0   35 o   3.2600   2.2030   3.2600   2.2030   3.2600   2.2030 -0.000000 0.000000 
1 1 1    4    0   36 f   3.6230   2.1300   3.6230   2.1300   3.6230   2.1300 0.000000 0.000000 
1 1 1    4    0   37 o   2.6330   1.7740   2.6330   1.7740   2.6330   1.7740 0.000000 0.000000 
1 1 1    4    2    0 o   93.380   0.5863   93.680   0.8319   93.070   0.8264 0.6095000 1.173000 
1 1 1    4    2    1 o   86.390   0.5431   86.430   0.7683   86.350   0.7678 0.7951000E-01 1.086000 
1 1 1    4    2    2 o   12.540   0.1382   12.690   0.1941   12.400   0.1969 0.2877000 0.2764000 
1 1 1    4    2    3 o   67.830   0.5544   68.790   0.8680   66.870   0.6899 1.916000 1.109000 
1 1 1    4    2    4 o   61.140   0.5484   61.270   0.7773   61.010   0.7737 0.2647000 1.097000 
1 1 1    4    2    5 o   28.110   0.2152   27.670   0.3224   28.550   0.2851 -0.8845000 0.4304000 
1 1 1    4    2    6 o  156.700   0.9844  156.200   1.3880  157.200   1.3970 -1.001000 1.969000 
1 1 1    4    2    7 o  146.000   0.9181  145.700   1.2960  146.300   1.3010 -0.6336000 1.836000 
1 1 1    4    2    8 o  106.300   0.6706  106.300   0.9485  106.300   0.9481 0.3503000E-01 1.341000 
1 1 1    4    2    9 o   54.440   0.4989   54.290   0.7038   54.600   0.7073 -0.3087000 0.9978000 
1 1 1    4    2   10 o   27.000   0.2215   27.310   0.3124   26.680   0.3140 0.6301000 0.4429000 
1 1 1    4    2   11 o   25.860   0.2253   25.670   0.3156   26.050   0.3217 -0.3822000 0.4506000 
1 1 1    4    2   12 o   23.360   0.2329   23.580   0.3248   23.150   0.3340 0.4341000 0.4659000 
1 1 1    4    2   13 o   28.910   0.2455   28.900   0.3454   28.930   0.3490 -0.3631000E-01 0.4910000 
1 1 1    4    2   14 o   29.700   0.2778   30.050   0.3593   29.360   0.4237 0.6842000 0.5555000 
1 1 1    4    2   15 o   14.580   0.3618   14.170   0.5179   14.990   0.5052 -0.8140000 0.7235000 
1 1 1    4    2   16 o   8.9580   0.6561   9.6870   0.8460   8.2280   1.0030 1.459000 1.312000 
1 1 1    4    2   17 f   21.830   0.3249   21.820   0.4638   21.850   0.4552 -0.3786000E-01 0.6498000 
1 1 1    4    2   18 o   20.470   0.4919   20.900   0.6847   20.040   0.7065 0.8613000 0.9839000 
1 1 1    4    2   19 o   6.5770   1.1790   6.2120   1.7010   6.9430   1.6340 -0.7314000 2.359000 
1 1 1    4    2   20 f   23.840   0.3725   24.170   0.5152   23.510   0.5383 0.6569000 0.7451000 
1 1 1    4    2   21 o   53.180   0.3821   52.940   0.5384   53.420   0.5424 -0.4711000 0.7642000 
1 1 1    4    2   22 f   2.9120   0.9646   3.4400   1.5250   2.3840   1.1820 1.055000 1.929000 
1 1 1    4    2   23 f   13.460   0.8564   12.900   1.1690   14.020   1.2520 -1.119000 1.713000 
1 1 1    4    2   24 o   14.570   0.5005   14.320   0.7022   14.820   0.7134 -0.5047000 1.001000 
1 1 1    4    2   25 o   20.540   0.3821   19.870   0.5473   21.200   0.5332 -1.329000 0.7641000 
1 1 1    4    2   26 o   5.2360   1.1250   4.3630   1.6380   6.1080   1.5440 -1.745000 2.251000 
1 1 1    4    2   27 o   8.7340   0.8524   9.0180   1.1520   8.4500   1.2560 0.5684000 1.705000 
1 1 1    4    2   28 o   8.2840   0.8995   8.0480   1.2970   8.5210   1.2470 -0.4734000 1.799000 
1 1 1    4    2   29 o   5.6070   1.1790   4.9600   1.6850   6.2540   1.6500 -1.294000 2.358000 
1 1 1    4    2   30 o   4.3750   1.1250   5.7210   1.7370   3.0300   1.4310 2.691000 2.250000 
1 1 1    4    2   31 o   3.4790   1.1680   3.4960   1.6590   3.4630   1.6450 0.3315000E-01 2.337000 
1 1 1    4    2   32 o   8.2050   1.0870   8.3930   1.4930   8.0180   1.5810 0.3746000 2.174000 
1 1 1    4    2   33 o   8.1200   1.1640   9.2880   1.4320   6.9520   1.8360 2.336000 2.329000 
1 1 1    4    2   34 o   3.6700   1.1980   4.0000   1.8060   3.3400   1.5740 0.6598000 2.396000 
1 1 1    4    2   35 o   3.6600   1.2550   3.8020   1.8220   3.5180   1.7250 0.2836000 2.509000 
1 1 1    4    2   36 o   2.6710   0.9359   2.6750   1.3270   2.6680   1.3200 0.7213000E-02 1.872000 
1 1 1    4    2   37 o   2.5560   0.9094   2.7960   1.3930   2.3150   1.1700 0.4805000 1.819000 
1 1 1    4    4    0 o   35.170   0.2679   35.360   0.3806   34.970   0.3771 0.3866000 0.5358000 
1 1 1    4    4    1 o   55.910   0.6203   54.870   0.7003   56.960   1.0240 -2.087000 1.241000 
1 1 1    4    4    2 o   44.220   0.4062   44.580   0.5787   43.870   0.5701 0.7062000 0.8124000 
1 1 1    4    4    3 o  126.100   0.9170  127.000   1.3060  125.200   1.2870 1.778000 1.834000 
1 1 1    4    4    4 o  115.400   0.7262  116.100   1.0330  114.800   1.0210 1.310000 1.452000 
1 1 1    4    4    5 o  180.700   1.1360  180.900   1.6070  180.600   1.6050 0.2838000 2.272000 
1 1 1    4    4    6 o   98.590   0.6217   98.610   0.8793   98.570   0.8791 0.4008000E-01 1.243000 
1 1 1    4    4    7 o   77.910   0.4944   77.570   0.6960   78.260   0.7023 -0.6901000 0.9887000 
1 1 1    4    4    8 o   80.450   0.7233   80.540   1.0240   80.360   1.0220 0.1719000 1.447000 
1 1 1    4    4    9 o   11.740   0.4124   12.030   0.5618   11.450   0.6039 0.5811000 0.8247000 
1 1 1    4    4   10 o   15.180   0.2581   15.200   0.3585   15.160   0.3714 0.4195000E-01 0.5162000 
1 1 1    4    4   11 o   7.8570   0.4724   7.7660   0.6420   7.9480   0.6932 -0.1816000 0.9448000 
1 1 1    4    4   12 o   17.070   0.2637   17.420   0.3648   16.720   0.3809 0.7083000 0.5274000 
1 1 1    4    4   13 o   34.900   0.2663   35.350   0.3783   34.450   0.3748 0.8993000 0.5325000 
1 1 1    4    4   14 o   18.700   0.3206   18.930   0.4006   18.470   0.5006 0.4638000 0.6412000 
1 1 1    4    4   15 o   36.670   0.2887   36.750   0.4068   36.590   0.4097 0.1573000 0.5774000 
1 1 1    4    4   16 o   12.390   0.4839   12.560   0.6493   12.220   0.7177 0.3451000 0.9678000 
1 1 1    4    4   17 o   67.630   0.4858   67.250   0.6325   68.010   0.7375 -0.7611000 0.9716000 
1 1 1    4    4   18 o   39.560   0.4485   39.550   0.6288   39.560   0.6396 -0.8049000E-02 0.8969000 
1 1 1    4    4   19 o   15.850   0.5228   15.350   0.7414   16.340   0.7372 -0.9919000 1.046000 
1 1 1    4    4   20 o   2.8260   0.9534   3.1840   1.4620   2.4690   1.2240 0.7154000 1.907000 
1 1 1    4    4   21 o   43.250   0.3494   43.250   0.4908   43.250   0.4975 -0.3101000E-02 0.6988000 
1 1 1    4    4   22 o   18.180   0.6676   18.190   0.9019   18.180   0.9846 0.1303000E-01 1.335000 
1 1 1    4    4   23 o   23.880   0.5355   23.740   0.7251   24.030   0.7883 -0.2941000 1.071000 
1 1 1    4    4   24 o   12.770   0.5764   12.310   0.8251   13.230   0.8050 -0.9202000 1.153000 
1 1 1    4    4   25 o   10.560   0.6822   10.550   0.9509   10.570   0.9785 -0.2370000E-01 1.364000 
1 1 1    4    4   26 o   9.6430   0.7463   9.2850   1.0770  10.0000   1.0340 -0.7169000 1.493000 
1 1 1    4    4   27 o   8.7380   0.8208   9.2100   1.0490   8.2650   1.2620 0.9451000 1.642000 
1 1 1    4    4   28 o   3.3200   1.0470   3.2960   1.4660   3.3440   1.4950 -0.4763000E-01 2.094000 
1 1 1    4    4   29 o   4.7360   1.2090   4.9190   1.6880   4.5540   1.7310 0.3659000 2.417000 
1 1 1    4    4   30 o   12.260   0.9024   12.220   1.2590   12.300   1.2930 -0.8278000E-01 1.805000 
1 1 1    4    4   31 o   7.9840   1.4230   9.0270   1.8730   6.9420   2.1430 2.085000 2.846000 
1 1 1    4    4   32 o   3.7250   1.1770   3.4790   1.5900   3.9720   1.7370 -0.4931000 2.354000 
1 1 1    4    4   33 o   6.4160   1.3770   6.4250   1.9010   6.4080   1.9930 0.1698000E-01 2.754000 
1 1 1    4    4   34 o   7.3600   1.4090   8.9090   1.8000   5.8100   2.1690 3.099000 2.818000 
1 1 1    4    4   35 o   4.1380   1.3670   4.3710   1.9910   3.9060   1.8750 0.4649000 2.735000 
1 1 1    4    4   36 o   2.9220   1.0060   2.7990   1.3750   3.0450   1.4700 -0.2464000 2.013000 
1 1 1    4    6    0 o   19.960   0.1994   19.750   0.2825   20.170   0.2816 -0.4116000 0.3989000 
1 1 1    4    6    1 o   49.770   0.3235   50.010   0.4593   49.530   0.4557 0.4765000 0.6470000 
1 1 1    4    6    2 o   89.240   0.5639   89.060   0.7957   89.430   0.7992 -0.3687000 1.128000 
1 1 1    4    6    3 o  160.400   1.0080  160.500   1.4270  160.300   1.4250 0.1941000 2.017000 
1 1 1    4    6    4 o  110.400   0.6963  110.800   0.9878  110.100   0.9815 0.6627000 1.393000 
1 1 1    4    6    5 o   97.170   0.6142   97.390   0.8704   96.950   0.8667 0.4445000 1.228000 
1 1 1    4    6    6 o   24.740   0.2252   24.940   0.3174   24.530   0.3196 0.4135000 0.4504000 
1 1 1    4    6    7 o   41.350   0.4019   41.910   0.5738   40.790   0.5628 1.117000 0.8037000 
1 1 1    4    6    8 o   24.240   0.2669   24.630   0.3717   23.850   0.3831 0.7794000 0.5338000 
1 1 1    4    6    9 o   29.520   0.2403   29.870   0.3396   29.170   0.3401 0.6959000 0.4806000 
1 1 1    4    6   10 o   50.790   0.3385   50.850   0.4782   50.740   0.4791 0.1061000 0.6769000 
1 1 1    4    6   11 o   30.040   0.2493   30.060   0.3518   30.020   0.3533 0.4144000E-01 0.4986000 
1 1 1    4    6   12 o   46.170   0.3190   46.570   0.4533   45.770   0.4490 0.8021000 0.6380000 
1 1 1    4    6   13 o   58.290   0.3860   58.370   0.5463   58.210   0.5454 0.1633000 0.7719000 
1 1 1    4    6   14 o   13.870   0.4027   13.680   0.5607   14.070   0.5781 -0.3891000 0.8053000 
1 1 1    4    6   15 o   24.650   0.2984   24.390   0.4147   24.900   0.4292 -0.5065000 0.5968000 
1 1 1    4    6   16 o   13.050   0.4937   13.210   0.6636   12.890   0.7311 0.3172000 0.9873000 
1 1 1    4    6   17 o   13.540   0.7106   13.170   1.0200   13.900   0.9900 -0.7301000 1.421000 
1 1 1    4    6   18 o   12.140   0.6461   11.820   0.9122   12.460   0.9153 -0.6366000 1.292000 
1 1 1    4    6   19 o   46.850   0.3574   46.550   0.5019   47.160   0.5090 -0.6071000 0.7148000 
1 1 1    4    6   20 o   28.870   0.3442   28.500   0.4738   29.250   0.4994 -0.7530000 0.6884000 
1 1 1    4    6   21 o   19.200   0.4231   19.130   0.5698   19.260   0.6257 -0.1305000 0.8463000 
1 1 1    4    6   22 o   3.7150   1.2250   3.5380   1.6580   3.8920   1.8040 -0.3546000 2.450000 
1 1 1    4    6   23 o   23.980   0.3639   24.350   0.4981   23.610   0.5306 0.7411000 0.7278000 
1 1 1    4    6   24 o   9.5330   0.7641   9.7710   0.9996   9.2960   1.1560 0.4746000 1.528000 
1 1 1    4    6   25 o   13.790   0.5292   14.080   0.7129   13.500   0.7823 0.5825000 1.058000 
1 1 1    4    6   26 o   12.020   0.6143   12.280   0.8081   11.760   0.9254 0.5243000 1.229000 
1 1 1    4    6   27 o   6.3020   1.1080   5.4330   1.6480   7.1720   1.4800 -1.738000 2.215000 
1 1 1    4    6   28 o   10.270   0.7482   9.4210   1.1130   11.120   1.0000 -1.699000 1.496000 
1 1 1    4    6   29 o   10.450   0.7547   10.720   0.9923   10.170   1.1370 0.5490000 1.509000 
1 1 1    4    6   30 o   4.3530   1.3210   4.8870   1.9750   3.8190   1.7550 1.068000 2.642000 
1 1 1    4    6   31 o   6.1850   1.2800   5.5730   1.8590   6.7970   1.7600 -1.224000 2.560000 
1 1 1    4    6   32 o   4.9660   1.2940   4.0460   1.7280   5.8860   1.9260 -1.839000 2.588000 
1 1 1    4    6   33 o   5.0710   1.1540   7.0930   1.7700   3.0480   1.4810 4.044000 2.308000 
1 1 1    4    6   34 o   3.5150   1.2140   3.8920   1.8490   3.1390   1.5730 0.7537000 2.427000 
1 1 1    4    6   35 o   2.3480   0.8418   2.2380   1.1440   2.4580   1.2350 -0.2199000 1.684000 
1 1 1    4    6   36 o   3.0910   1.0470   3.3700   1.5750   2.8120   1.3810 0.5583000 2.095000 
1 1 1    4    8    0 o   20.480   0.2458   20.680   0.3676   20.270   0.3262 0.4154000 0.4915000 
1 1 1    4    8    1 o   66.520   0.4264   66.420   0.6018   66.610   0.6041 -0.1925000 0.8527000 
1 1 1    4    8    2 o   20.040   0.2496   20.050   0.3268   20.030   0.3775 0.2061000E-01 0.4993000 
1 1 1    4    8    3 o   51.960   0.3948   51.920   0.5580   51.990   0.5588 -0.7050000E-01 0.7897000 
1 1 1    4    8    4 o   43.970   0.3459   43.980   0.4897   43.970   0.4888 0.1292000E-01 0.6919000 
1 1 1    4    8    5 o   15.420   0.3890   15.420   0.5609   15.430   0.5393 -0.1265000E-01 0.7781000 
1 1 1    4    8    6 o   31.790   0.2915   31.920   0.4111   31.650   0.4134 0.2707000 0.5830000 
1 1 1    4    8    7 o   20.460   0.2483   20.250   0.3493   20.670   0.3531 -0.4236000 0.4967000 
1 1 1    4    8    8 o   13.800   0.3463   14.570   0.4316   13.030   0.5416 1.546000 0.6926000 
1 1 1    4    8    9 o   58.360   0.3840   58.410   0.5433   58.310   0.5427 0.9753000E-01 0.7679000 
1 1 1    4    8   10 o   36.770   0.2779   36.900   0.3928   36.630   0.3931 0.2711000 0.5557000 
1 1 1    4    8   11 o   10.860   0.4556   11.530   0.5926   10.200   0.6923 1.334000 0.9113000 
1 1 1    4    8   12 o   35.390   0.2835   35.530   0.4014   35.260   0.4005 0.2738000 0.5670000 
1 1 1    4    8   13 o   32.720   0.2836   32.860   0.3998   32.590   0.4024 0.2724000 0.5672000 
1 1 1    4    8   14 o   20.660   0.4187   21.960   0.6756   19.350   0.4948 2.611000 0.8374000 
1 1 1    4    8   15 f   14.560   0.4524   13.970   0.6409   15.140   0.6388 -1.175000 0.9049000 
1 1 1    4    8   16 f   11.800   0.8429   12.590   1.1120   11.020   1.2670 1.573000 1.686000 
1 1 1    4    8   17 f   14.170   0.5912   14.160   0.8108   14.190   0.8606 -0.3773000E-01 1.182000 
1 1 1    4    8   18 o   29.920   0.3431   29.890   0.4713   29.940   0.4987 -0.5178000E-01 0.6861000 
1 1 1    4    8   19 o   22.220   0.4073   22.130   0.5572   22.310   0.5943 -0.1840000 0.8147000 
1 1 1    4    8   20 o   23.490   0.3811   23.420   0.5180   23.560   0.5592 -0.1405000 0.7623000 
1 1 1    4    8   21 o   12.400   0.9778   13.550   1.1500   11.250   1.5820 2.299000 1.956000 
1 1 1    4    8   22 o   16.540   0.7063   15.880   0.9694   17.190   1.0270 -1.309000 1.413000 
1 1 1    4    8   23 o   4.3450   1.1590   4.8150   1.6590   3.8760   1.6200 0.9393000 2.319000 
1 1 1    4    8   24 o   9.2610   0.7946   9.4930   1.0470   9.0290   1.1960 0.4635000 1.589000 
1 1 1    4    8   25 o   5.2440   1.1830   5.5430   1.6310   4.9450   1.7140 0.5980000 2.366000 
1 1 1    4    8   26 o   10.990   0.6655   10.660   0.9207   11.330   0.9612 -0.6627000 1.331000 
1 1 1    4    8   27 o   5.1240   1.1970   5.1210   1.6560   5.1270   1.7280 -0.6238000E-02 2.394000 
1 1 1    4    8   28 o   13.300   0.5747   12.810   0.8005   13.780   0.8250 -0.9625000 1.149000 
1 1 1    4    8   29 o   6.2090   1.2660   7.7150   1.7030   4.7030   1.8740 3.013000 2.532000 
1 1 1    4    8   30 o   3.1010   1.0740   3.3200   1.5980   2.8820   1.4350 0.4386000 2.148000 
1 1 1    4    8   31 f   4.1510   1.1990   5.0080   1.8380   3.2950   1.5410 1.713000 2.398000 
1 1 1    4    8   32 o   5.4250   1.1930   3.3210   1.5560   7.5300   1.8090 -4.209000 2.386000 
1 1 1    4    8   33 o   4.4880   1.3170   4.3540   1.8180   4.6210   1.9050 -0.2667000 2.633000 
1 1 1    4    8   34 o   3.7470   1.2760   3.6240   1.7510   3.8700   1.8570 -0.2453000 2.552000 
1 1 1    4    8   35 o   2.6280   0.9233   2.5680   1.2840   2.6880   1.3270 -0.1200000 1.847000 
1 1 1    4    8   36 o   2.5510   0.8999   2.7160   1.3410   2.3860   1.2000 0.3292000 1.800000 
1 1 1    4   10    0 o   51.560   0.3954   51.390   0.5569   51.720   0.5614 -0.3242000 0.7908000 
1 1 1    4   10    1 o   21.870   0.2861   22.000   0.4022   21.750   0.4069 0.2495000 0.5722000 
1 1 1    4   10    2 o   87.840   0.6464   87.370   0.9095   88.310   0.9189 -0.9363000 1.293000 
1 1 1    4   10    3 o   70.390   0.5238   70.820   0.7444   69.960   0.7373 0.8595000 1.048000 
1 1 1    4   10    4 o   45.360   0.3129   44.970   0.4386   45.750   0.4464 -0.7815000 0.6258000 
1 1 1    4   10    5 o   62.090   0.4058   62.290   0.5755   61.890   0.5723 0.4080000 0.8116000 
1 1 1    4   10    6 o   77.360   0.4971   77.610   0.7051   77.120   0.7010 0.4902000 0.9943000 
1 1 1    4   10    7 o   32.500   0.2681   32.710   0.3792   32.290   0.3792 0.4264000 0.5363000 
1 1 1    4   10    8 o   26.240   0.2671   26.170   0.3771   26.320   0.3783 -0.1583000 0.5342000 
1 1 1    4   10    9 o   54.660   0.3684   54.870   0.5223   54.460   0.5196 0.4112000 0.7368000 
1 1 1    4   10   10 o   43.600   0.3627   42.720   0.4987   44.490   0.5269 -1.773000 0.7254000 
1 1 1    4   10   11 o   61.930   0.4116   62.050   0.5826   61.810   0.5815 0.2416000 0.8231000 
1 1 1    4   10   12 o   56.720   0.3869   56.910   0.5474   56.540   0.5470 0.3721000 0.7739000 
1 1 1    4   10   13 o   52.900   0.3702   52.610   0.5198   53.180   0.5272 -0.5613000 0.7404000 
1 1 1    4   10   14 o   60.390   0.4113   60.470   0.5814   60.310   0.5820 0.1610000 0.8226000 
1 1 1    4   10   15 o   55.030   0.5464   55.250   0.7750   54.820   0.7705 0.4282000 1.093000 
1 1 1    4   10   16 o   94.220   0.6091   93.790   0.8577   94.660   0.8651 -0.8739000 1.218000 
1 1 1    4   10   17 o   22.680   0.4582   21.920   0.7208   23.440   0.5658 -1.526000 0.9164000 
1 1 1    4   10   18 o   8.8110   0.9457   9.2910   1.2030   8.3320   1.4600 0.9594000 1.891000 
1 1 1    4   10   19 o   12.280   0.6590   13.000   0.8441   11.570   1.0120 1.426000 1.318000 
1 1 1    4   10   20 o   26.360   0.5282   25.680   0.7267   27.040   0.7668 -1.361000 1.056000 
1 1 1    4   10   21 o   8.3090   1.3470   9.3380   1.6210   7.2800   2.1530 2.058000 2.694000 
1 1 1    4   10   22 o   9.9380   0.7574   10.110   1.0070   9.7660   1.1320 0.3436000 1.515000 
1 1 1    4   10   23 o   16.980   0.4515   17.110   0.6056   16.860   0.6698 0.2470000 0.9030000 
1 1 1    4   10   24 o   12.630   0.5711   12.640   0.7819   12.610   0.8327 0.3315000E-01 1.142000 
1 1 1    4   10   25 o   12.710   0.5786   13.270   0.7221   12.160   0.9042 1.111000 1.157000 
1 1 1    4   10   26 o   4.3650   1.1110   5.5010   1.6590   3.2280   1.4780 2.273000 2.222000 
1 1 1    4   10   27 o   11.150   0.6915   11.510   0.9022   10.790   1.0480 0.7191000 1.383000 
1 1 1    4   10   28 o   5.4370   1.2540   5.1480   1.7510   5.7260   1.7950 -0.5785000 2.508000 
1 1 1    4   10   29 o   3.7670   1.2360   3.3070   1.5910   4.2270   1.8910 -0.9199000 2.471000 
1 1 1    4   10   30 o   6.2190   1.2880   5.3810   1.8050   7.0570   1.8380 -1.676000 2.576000 
1 1 1    4   10   31 o   4.9090   1.3320   4.8640   1.8810   4.9550   1.8880 -0.9024000E-01 2.665000 
1 1 1    4   10   32 o   4.9640   1.2360   3.2080   1.5080   6.7190   1.9590 -3.512000 2.472000 
1 1 1    4   10   33 o   3.4100   1.1870   3.3700   1.6540   3.4500   1.7030 -0.8031000E-01 2.374000 
1 1 1    4   10   34 o   2.5170   0.8939   2.3960   1.2100   2.6370   1.3160 -0.2412000 1.788000 
1 1 1    4   10   35 o   2.6390   0.9262   2.8970   1.4090   2.3810   1.2020 0.5161000 1.852000 
1 1 1    4   12    0 o   36.300   0.3018   36.920   0.4604   35.680   0.3903 1.239000 0.6035000 
1 1 1    4   12    1 o   45.710   0.3177   45.690   0.4489   45.720   0.4496 -0.2257000E-01 0.6353000 
1 1 1    4   12    2 o   57.020   0.3784   57.100   0.5354   56.930   0.5349 0.1675000 0.7568000 
1 1 1    4   12    3 o   15.650   0.3494   16.160   0.4780   15.150   0.5097 1.018000 0.6988000 
1 1 1    4   12    4 o   63.680   0.4178   63.990   0.5924   63.380   0.5892 0.6151000 0.8355000 
1 1 1    4   12    5 o   33.380   0.2808   33.940   0.3947   32.830   0.3994 1.112000 0.5616000 
1 1 1    4   12    6 f   22.400   0.2983   22.040   0.4187   22.770   0.4251 -0.7224000 0.5967000 
1 1 1    4   12    7 o   15.280   0.3908   15.360   0.5504   15.200   0.5550 0.1548000 0.7816000 
1 1 1    4   12    8 o   18.730   0.3463   18.350   0.4937   19.110   0.4859 -0.7608000 0.6927000 
1 1 1    4   12    9 o   38.170   0.3071   38.090   0.4312   38.240   0.4373 -0.1486000 0.6141000 
1 1 1    4   12   10 o   35.710   0.3082   35.970   0.4320   35.460   0.4397 0.5076000 0.6164000 
1 1 1    4   12   11 o   11.680   0.5734   11.560   0.8039   11.810   0.8179 -0.2481000 1.147000 
1 1 1    4   12   12 o   35.620   0.4271   35.290   0.6645   35.960   0.5368 -0.6689000 0.8542000 
1 1 1    4   12   13 o   19.210   0.5731   19.790   0.7774   18.630   0.8424 1.157000 1.146000 
1 1 1    4   12   14 o   15.210   0.7390   14.450   1.0740   15.970   1.0150 -1.515000 1.478000 
1 1 1    4   12   15 o   38.810   0.3826   37.800   0.4777   39.830   0.5979 -2.030000 0.7653000 
1 1 1    4   12   16 o   30.840   0.3535   30.260   0.4878   31.420   0.5117 -1.163000 0.7070000 
1 1 1    4   12   17 o   8.1350   1.0630   6.9240   1.6400   9.3450   1.3520 -2.421000 2.126000 
1 1 1    4   12   18 o   4.6230   1.2170   5.3600   1.7570   3.8850   1.6850 1.475000 2.434000 
1 1 1    4   12   19 o   4.1300   1.3080   3.7500   1.7240   4.5100   1.9680 -0.7596000 2.616000 
1 1 1    4   12   20 f   5.9230   1.4240   6.9890   1.9890   4.8560   2.0370 2.133000 2.847000 
1 1 1    4   12   21 o   14.640   0.5195   14.890   0.6923   14.390   0.7747 0.5048000 1.039000 
1 1 1    4   12   22 o   13.720   0.5379   14.000   0.7016   13.440   0.8155 0.5627000 1.076000 
1 1 1    4   12   23 o   13.390   0.5474   13.390   0.7425   13.390   0.8046 -0.8262000E-02 1.095000 
1 1 1    4   12   24 o   13.650   0.5484   12.940   0.7778   14.360   0.7734 -1.422000 1.097000 
1 1 1    4   12   25 o   5.9890   1.1490   5.2220   1.6320   6.7560   1.6200 -1.534000 2.299000 
1 1 1    4   12   26 o   12.910   0.5965   13.220   0.7560   12.600   0.9228 0.6238000 1.193000 
1 1 1    4   12   27 o   11.680   0.7127   9.7020   1.1220   13.660   0.8798 -3.962000 1.425000 
1 1 1    4   12   28 f   4.7170   1.3800   5.2210   2.0290   4.2120   1.8700 1.009000 2.760000 
1 1 1    4   12   29 o   3.7630   1.1320   4.5210   1.7420   3.0050   1.4450 1.516000 2.263000 
1 1 1    4   12   30 o   5.8780   1.2840   4.3690   1.7890   7.3870   1.8420 -3.019000 2.568000 
1 1 1    4   12   31 o   4.3930   1.2990   4.1610   1.7810   4.6250   1.8910 -0.4645000 2.598000 
1 1 1    4   12   32 o   3.9520   1.2600   4.5720   1.9320   3.3330   1.6180 1.239000 2.520000 
1 1 1    4   12   33 o   3.5650   1.2290   3.3890   1.6590   3.7410   1.8150 -0.3520000 2.459000 
1 1 1    4   12   34 o   2.8360   0.9808   2.7250   1.3460   2.9460   1.4270 -0.2211000 1.962000 
1 1 1    4   14    0 o   56.210   0.3787   56.390   0.5373   56.030   0.5338 0.3609000 0.7574000 
1 1 1    4   14    1 o   60.500   0.4018   60.870   0.5714   60.140   0.5652 0.7269000 0.8037000 
1 1 1    4   14    2 o   17.280   0.3671   17.560   0.5163   16.990   0.5219 0.5707000 0.7342000 
1 1 1    4   14    3 o   52.260   0.3611   52.650   0.5133   51.860   0.5080 0.7823000 0.7222000 
1 1 1    4   14    4 o   94.150   0.6026   94.500   0.8548   93.810   0.8495 0.6851000 1.205000 
1 1 1    4   14    5 o   48.160   0.3458   47.980   0.4869   48.330   0.4910 -0.3589000 0.6915000 
1 1 1    4   14    6 o   75.520   0.4925   75.710   0.6972   75.330   0.6957 0.3836000 0.9849000 
1 1 1    4   14    7 o   16.130   0.4529   16.560   0.6078   15.700   0.6716 0.8532000 0.9058000 
1 1 1    4   14    8 o   55.330   0.3867   55.220   0.5453   55.440   0.5484 -0.2182000 0.7733000 
1 1 1    4   14    9 o   23.430   0.3615   23.120   0.5137   23.730   0.5089 -0.6126000 0.7231000 
1 1 1    4   14   10 o   38.860   0.3593   38.670   0.4800   39.060   0.5347 -0.3903000 0.7185000 
1 1 1    4   14   11 o   40.990   0.4827   40.910   0.6857   41.070   0.6794 -0.1562000 0.9653000 
1 1 1    4   14   12 o   28.850   0.5014   28.890   0.7072   28.810   0.7110 0.7460000E-01 1.003000 
1 1 1    4   14   13 o   27.520   0.3727   27.730   0.5216   27.300   0.5324 0.4278000 0.7453000 
1 1 1    4   14   14 o   40.720   0.3554   40.400   0.4940   41.040   0.5109 -0.6421000 0.7107000 
1 1 1    4   14   15 o   3.2170   1.0620   3.1000   1.4540   3.3350   1.5480 -0.2358000 2.124000 
1 1 1    4   14   16 f   22.860   0.4174   22.300   0.5794   23.420   0.6010 -1.120000 0.8349000 
1 1 1    4   14   17 o   20.380   0.4420   20.520   0.6052   20.240   0.6444 0.2749000 0.8840000 
1 1 1    4   14   18 o   24.560   0.5404   24.230   0.7388   24.890   0.7889 -0.6580000 1.081000 
1 1 1    4   14   19 o   17.400   0.4697   17.560   0.6402   17.240   0.6876 0.3151000 0.9395000 
1 1 1    4   14   20 o   12.440   0.6116   12.100   0.8497   12.770   0.8799 -0.6683000 1.223000 
1 1 1    4   14   21 o   6.9630   1.0580   8.5960   1.1720   5.3300   1.7630 3.266000 2.116000 
1 1 1    4   14   22 o   12.550   0.6084   13.640   0.7363   11.470   0.9686 2.168000 1.217000 
1 1 1    4   14   23 o   22.790   0.3800   22.670   0.5222   22.920   0.5522 -0.2432000 0.7600000 
1 1 1    4   14   24 o   17.930   0.4564   18.130   0.6067   17.720   0.6820 0.4131000 0.9128000 
1 1 1    4   14   25 o   8.7020   0.9163   9.6750   1.0900   7.7280   1.4730 1.947000 1.833000 
1 1 1    4   14   26 o   9.5020   0.8645   9.9490   1.1120   9.0540   1.3240 0.8956000 1.729000 
1 1 1    4   14   27 o   4.4050   1.3340   4.8660   1.9690   3.9440   1.8010 0.9225000 2.668000 
1 1 1    4   14   28 o   3.0740   1.0370   3.0440   1.4500   3.1050   1.4830 -0.6121000E-01 2.075000 
1 1 1    4   14   29 o   6.1570   1.3510   6.3100   1.8510   6.0030   1.9670 0.3066000 2.701000 
1 1 1    4   14   30 o   3.3850   1.1180   3.5390   1.6160   3.2320   1.5440 0.3073000 2.235000 
1 1 1    4   14   31 o   3.7050   1.1870   3.0790   1.4790   4.3310   1.8570 -1.252000 2.374000 
1 1 1    4   14   32 o   2.8080   1.4180   2.8080   1.4180  ?   ?       ?      ? 
1 1 1    4   14   33 o   3.1190   1.0550   3.2160   1.5240   3.0230   1.4600 0.1932000 2.110000 
1 1 1    4   14   34 o   2.7180   0.9571   2.8720   1.3990   2.5630   1.3060 0.3086000 1.914000 
1 1 1    4   16    0 f   45.940   0.3416   45.830   0.4821   46.060   0.4841 -0.2314000 0.6832000 
1 1 1    4   16    1 o   45.510   0.4168   44.060   0.6752   46.950   0.4889 -2.892000 0.8336000 
1 1 1    4   16    2 o   56.180   0.3887   56.630   0.5530   55.730   0.5464 0.9045000 0.7775000 
1 1 1    4   16    3 o   43.120   0.3359   43.240   0.4750   43.010   0.4750 0.2242000 0.6717000 
1 1 1    4   16    4 o   85.740   0.5548   85.260   0.7800   86.220   0.7893 -0.9604000 1.110000 
1 1 1    4   16    5 o   11.350   0.6910   12.320   0.8939   10.370   1.0540 1.954000 1.382000 
1 1 1    4   16    6 o   80.500   0.5685   80.490   0.7447   80.500   0.8591 -0.1014000E-01 1.137000 
1 1 1    4   16    7 o   36.860   0.3835   37.260   0.5426   36.460   0.5421 0.8032000 0.7669000 
1 1 1    4   16    8 o   22.560   0.5815   22.710   0.8217   22.410   0.8229 0.3034000 1.163000 
1 1 1    4   16    9 o   6.4060   1.4940   7.7250   2.1500   5.0870   2.0750 2.638000 2.988000 
1 1 1    4   16   10 o   54.440   0.4680   54.320   0.6632   54.560   0.6605 -0.2395000 0.9360000 
1 1 1    4   16   11 o   48.530   0.3788   49.050   0.5359   48.010   0.5356 1.044000 0.7576000 
1 1 1    4   16   12 o   40.920   0.3620   40.690   0.5084   41.150   0.5156 -0.4560000 0.7241000 
1 1 1    4   16   13 o   16.050   0.5656   15.940   0.7788   16.160   0.8206 -0.2197000 1.131000 
1 1 1    4   16   14 o   5.0710   1.2980   4.7340   1.7850   5.4080   1.8850 -0.6745000 2.596000 
1 1 1    4   16   15 o   36.020   0.3546   36.070   0.4977   35.970   0.5054 0.1053000 0.7093000 
1 1 1    4   16   16 o   20.940   0.6290   21.360   0.8296   20.510   0.9458 0.8544000 1.258000 
1 1 1    4   16   17 o   10.550   1.1660   9.3160   1.7750   11.780   1.5120 -2.462000 2.332000 
1 1 1    4   16   18 o   6.5820   1.1160   4.6930   1.7110   8.4710   1.4340 -3.778000 2.232000 
1 1 1    4   16   19 o   12.470   0.6395   12.270   0.8816   12.680   0.9266 -0.4180000 1.279000 
1 1 1    4   16   20 o   9.5880   0.8452   11.090   0.9269   8.0870   1.4140 3.001000 1.690000 
1 1 1    4   16   21 o   5.5090   1.2040   4.9860   1.6640   6.0320   1.7420 -1.046000 2.409000 
1 1 1    4   16   22 o   3.7620   1.1340   3.5300   1.5170   3.9950   1.6850 -0.4651000 2.267000 
1 1 1    4   16   23 o   6.4790   1.1620   6.6000   1.5380   6.3580   1.7430 0.2417000 2.325000 
1 1 1    4   16   24 o   9.1960   0.8951   8.1150   1.3500   10.280   1.1760 -2.163000 1.790000 
1 1 1    4   16   25 f   6.2370   1.2460   6.4640   1.6770   6.0090   1.8440 0.4548000 2.492000 
1 1 1    4   16   26 o   4.1460   1.3110   4.0030   1.8100   4.2890   1.8980 -0.2858000 2.623000 
1 1 1    4   16   27 o   4.8480   1.2100   3.1160   1.4750   6.5800   1.9200 -3.464000 2.421000 
1 1 1    4   16   28 o   7.0190   1.3230   6.0350   1.8990   8.0020   1.8420 -1.967000 2.646000 
1 1 1    4   16   29 o   4.5710   1.2570   3.2120   1.5210   5.9300   2.0020 -2.719000 2.514000 
1 1 1    4   16   30 o   5.8270   1.4570   4.2110   1.8940   7.4440   2.2150 -3.234000 2.914000 
1 1 1    4   16   31 o   3.1420   1.1070   3.3540   1.6470   2.9290   1.4790 0.4246000 2.213000 
1 1 1    4   16   32 o   3.1140   1.0530   3.0200   1.4540   3.2070   1.5240 -0.1872000 2.106000 
1 1 1    4   16   33 o   2.7710   0.9746   2.7970   1.3870   2.7450   1.3700 0.5239000E-01 1.949000 
1 1 1    4   18    0 o   33.320   0.4002   33.350   0.5741   33.300   0.5579 0.4592000E-01 0.8005000 
1 1 1    4   18    1 o   38.850   0.4847   38.350   0.7000   39.340   0.6707 -0.9842000 0.9695000 
1 1 1    4   18    2 o   16.560   0.7462   17.550   1.0520   15.580   1.0580 1.975000 1.492000 
1 1 1    4   18    3 o   74.670   0.7007   75.100   1.0020   74.240   0.9803 0.8607000 1.401000 
1 1 1    4   18    4 o   29.700   0.4390   29.580   0.6168   29.830   0.6247 -0.2540000 0.8779000 
1 1 1    4   18    5 o   80.190   0.6125   80.570   0.8692   79.810   0.8633 0.7610000 1.225000 
1 1 1    4   18    6 o   67.300   0.5339   67.840   0.7580   66.750   0.7522 1.092000 1.068000 
1 1 1    4   18    7 o   35.030   0.3995   34.100   0.5103   35.950   0.6148 -1.844000 0.7990000 
1 1 1    4   18    8 o   5.2540   1.2990   6.1000   1.8490   4.4080   1.8260 1.692000 2.599000 
1 1 1    4   18    9 o   13.640   0.6763   13.120   0.9591   14.160   0.9537 -1.038000 1.353000 
1 1 1    4   18   10 o   15.930   0.5904   15.620   0.8374   16.230   0.8324 -0.6085000 1.181000 
1 1 1    4   18   11 o   40.900   0.3685   40.470   0.5183   41.340   0.5238 -0.8743000 0.7369000 
1 1 1    4   18   12 o   12.320   0.7497   13.390   0.9256   11.250   1.1800 2.146000 1.499000 
1 1 1    4   18   13 o   15.220   0.6703   15.300   0.9419   15.150   0.9541 0.1428000 1.341000 
1 1 1    4   18   14 o   26.900   0.5580   26.680   0.7686   27.130   0.8091 -0.4546000 1.116000 
1 1 1    4   18   15 o   21.560   0.5111   21.960   0.6614   21.170   0.7795 0.7906000 1.022000 
1 1 1    4   18   16 o   3.1060   1.0250   2.6610   1.2920   3.5520   1.5930 -0.8910000 2.051000 
1 1 1    4   18   17 o   13.500   0.6025   14.550   0.7643   12.450   0.9317 2.101000 1.205000 
1 1 1    4   18   18 o   3.9660   1.1110   4.8630   1.6980   3.0690   1.4340 1.794000 2.223000 
1 1 1    4   18   19 o   10.970   0.7132   10.420   1.0460   11.520   0.9701 -1.102000 1.426000 
1 1 1    4   18   20 o   9.7900   0.7924   9.9000   1.0830   9.6790   1.1570 0.2215000 1.585000 
1 1 1    4   18   21 o   5.8280   1.2320   6.2070   1.6920   5.4500   1.7920 0.7571000 2.465000 
1 1 1    4   18   22 o   16.630   0.5144   17.180   0.6713   16.080   0.7797 1.104000 1.029000 
1 1 1    4   18   23 o   8.0660   1.0490   7.8860   1.4530   8.2450   1.5140 -0.3582000 2.099000 
1 1 1    4   18   24 o   10.750   1.0060   11.420   1.3140   10.070   1.5240 1.345000 2.013000 
1 1 1    4   18   25 o   8.7530   1.4220   8.2590   2.0580   9.2460   1.9610 -0.9863000 2.843000 
1 1 1    4   18   26 o   8.0800   1.1490   5.8490   1.8340   10.310   1.3850 -4.464000 2.298000 
1 1 1    4   18   27 o   3.6860   1.1590   2.8110   1.3770   4.5610   1.8650 -1.749000 2.318000 
1 1 1    4   18   28 o   8.1130   1.2560   7.7270   1.7930   8.4990   1.7590 -0.7725000 2.512000 
1 1 1    4   18   29 o   5.1250   1.4120   3.9130   1.7860   6.3360   2.1880 -2.423000 2.824000 
1 1 1    4   18   30 o   4.5870   1.4380   5.3250   2.2070   3.8480   1.8450 1.477000 2.877000 
1 1 1    4   18   31 o   3.7240   1.1720   3.1250   1.4890   4.3230   1.8110 -1.198000 2.345000 
1 1 1    4   18   32 o   1.9850   1.0330   1.9850   1.0330  ?   ?       ?      ? 
1 1 1    4   20    0 o   35.330   0.3537   35.680   0.4972   34.980   0.5031 0.6940000 0.7074000 
1 1 1    4   20    1 o   31.520   0.3644   31.560   0.5176   31.470   0.5130 0.9014000E-01 0.7288000 
1 1 1    4   20    2 f   8.0390   1.1080   5.1900   1.8820   10.890   1.1700 -5.698000 2.216000 
1 1 1    4   20    3 o   25.090   0.4097   24.770   0.5849   25.400   0.5737 -0.6320000 0.8193000 
1 1 1    4   20    4 o   49.600   0.3828   49.510   0.5358   49.690   0.5469 -0.1877000 0.7656000 
1 1 1    4   20    5 o   36.170   0.3622   36.040   0.5045   36.300   0.5198 -0.2621000 0.7244000 
1 1 1    4   20    6 o   7.8070   1.1790   8.0630   1.5880   7.5510   1.7420 0.5115000 2.357000 
1 1 1    4   20    7 o   26.490   0.3943   26.070   0.5541   26.900   0.5612 -0.8311000 0.7886000 
1 1 1    4   20    8 o   16.110   0.5676   16.470   0.7682   15.750   0.8359 0.7205000 1.135000 
1 1 1    4   20    9 o   9.9040   0.9119   9.9240   1.2330   9.8830   1.3430 0.4119000E-01 1.824000 
1 1 1    4   20   10 o   8.8560   1.1490   8.6970   1.5880   9.0150   1.6620 -0.3181000 2.299000 
1 1 1    4   20   11 o   5.1790   1.4570   5.2440   1.9830   5.1140   2.1350 0.1306000 2.914000 
1 1 1    4   20   12 o   6.5860   1.3650   7.0870   1.8110   6.0860   2.0430 1.001000 2.730000 
1 1 1    4   20   13 o   19.020   0.4708   19.160   0.6384   18.880   0.6920 0.2805000 0.9415000 
1 1 1    4   20   14 o   10.640   0.7971   11.180   1.0130   10.100   1.2310 1.085000 1.594000 
1 1 1    4   20   15 o   5.0290   1.2550   5.1810   1.7410   4.8760   1.8070 0.3049000 2.509000 
1 1 1    4   20   16 o   17.000   0.4889   16.540   0.6881   17.470   0.6947 -0.9287000 0.9778000 
1 1 1    4   20   17 o   3.7340   1.1370   3.8170   1.6180   3.6510   1.5960 0.1655000 2.273000 
1 1 1    4   20   18 o   2.7530   0.9388   2.8080   1.3450   2.6990   1.3100 0.1094000 1.878000 
1 1 1    4   20   19 o   14.810   0.5628   14.880   0.7698   14.740   0.8213 0.1393000 1.126000 
1 1 1    4   20   20 f   20.370   0.4429   20.120   0.6303   20.620   0.6224 -0.4964000 0.8859000 
1 1 1    4   20   21 o   21.780   0.4367   22.270   0.5934   21.280   0.6409 0.9844000 0.8734000 
1 1 1    4   20   22 o   5.2870   1.3130   5.1840   1.8260   5.3900   1.8860 -0.2061000 2.625000 
1 1 1    4   20   23 o   5.1740   1.4410   6.3600   2.2030   3.9880   1.8570 2.372000 2.881000 
1 1 1    4   20   24 o   3.6780   1.1580   4.0270   1.7060   3.3300   1.5670 0.6970000 2.316000 
1 1 1    4   20   25 o   5.5800   1.3600   5.6850   1.8700   5.4750   1.9750 0.2093000 2.720000 
1 1 1    4   20   26 o   4.4420   1.3040   4.6830   1.8720   4.2010   1.8150 0.4813000 2.608000 
1 1 1    4   20   27 o   4.9830   1.3320   5.6250   1.9280   4.3420   1.8380 1.283000 2.664000 
1 1 1    4   20   28 o   4.5980   1.4540   3.9170   1.8370   5.2780   2.2550 -1.361000 2.909000 
1 1 1    4   20   29 o   3.2400   1.1090   2.6610   1.3320   3.8190   1.7740 -1.158000 2.218000 
1 1 1    4   20   30 o   3.2480   1.0810   2.9910   1.4350   3.5050   1.6160 -0.5135000 2.161000 
1 1 1    4   22    0 o   53.110   0.4485   52.830   0.6271   53.390   0.6414 -0.5581000 0.8970000 
1 1 1    4   22    1 o   14.120   0.6940   14.010   0.9546   14.230   1.0080 -0.2184000 1.388000 
1 1 1    4   22    2 o   12.910   0.7679   13.770   0.9772   12.060   1.1850 1.714000 1.536000 
1 1 1    4   22    3 o   44.620   0.4170   45.000   0.5856   44.240   0.5939 0.7536000 0.8340000 
1 1 1    4   22    4 f   41.310   0.4115   41.910   0.5797   40.720   0.5843 1.182000 0.8231000 
1 1 1    4   22    5 o   31.250   0.4187   31.950   0.5719   30.560   0.6118 1.388000 0.8375000 
1 1 1    4   22    6 o   18.000   0.6802   18.110   0.8730   17.880   1.0430 0.2279000 1.360000 
1 1 1    4   22    7 o   31.140   0.4619   31.130   0.5553   31.150   0.7382 -0.1794000E-01 0.9238000 
1 1 1    4   22    8 o   5.6810   1.3430   4.7250   1.7900   6.6360   2.0010 -1.911000 2.685000 
1 1 1    4   22    9 o   15.120   0.5568   15.390   0.7283   14.860   0.8425 0.5234000 1.114000 
1 1 1    4   22   10 o   8.6980   0.9628   8.9320   1.2480   8.4640   1.4660 0.4683000 1.926000 
1 1 1    4   22   11 o   17.050   0.4973   17.200   0.6629   16.900   0.7416 0.3060000 0.9947000 
1 1 1    4   22   12 o   4.4430   1.2090   4.7930   1.7190   4.0920   1.7020 0.7008000 2.419000 
1 1 1    4   22   13 o   5.9650   1.1440   7.2710   1.4350   4.6590   1.7810 2.611000 2.288000 
1 1 1    4   22   14 f   13.150   0.6535   14.260   0.8162   12.040   1.0210 2.222000 1.307000 
1 1 1    4   22   15 o   4.0270   1.1990   3.7590   1.6250   4.2950   1.7650 -0.5365000 2.399000 
1 1 1    4   22   16 o   4.6740   1.2320   5.3810   1.7910   3.9680   1.6910 1.413000 2.463000 
1 1 1    4   22   17 o   10.400   0.8168   10.740   1.0920   10.050   1.2150 0.6967000 1.634000 
1 1 1    4   22   18 o   9.4460   0.9280   9.8040   1.2000   9.0880   1.4160 0.7155000 1.856000 
1 1 1    4   22   19 o   4.0270   1.2010   3.5150   1.5760   4.5390   1.8130 -1.023000 2.403000 
1 1 1    4   22   20 o   5.0030   1.1450   6.9760   1.7690   3.0300   1.4550 3.945000 2.291000 
1 1 1    4   22   21 o   5.4380   1.5290   4.7880   2.0620   6.0880   2.2590 -1.300000 3.059000 
1 1 1    4   22   22 o   5.6540   1.3650   6.4940   1.9640   4.8140   1.8960 1.681000 2.729000 
1 1 1    4   22   23 o   7.0610   1.2590   8.3850   1.5750   5.7360   1.9640 2.650000 2.517000 
1 1 1    4   22   24 o   5.0560   1.3650   5.2020   1.9350   4.9100   1.9260 0.2917000 2.730000 
1 1 1    4   22   25 o   7.3350   1.3100   6.8760   1.8800   7.7950   1.8240 -0.9195000 2.619000 
1 1 1    4   22   26 o   4.2730   1.3410   4.2920   1.8860   4.2530   1.9070 0.3889000E-01 2.682000 
1 1 1    4   22   27 o   2.6900   0.9670   2.5850   1.3150   2.7950   1.4180 -0.2099000 1.934000 
1 1 1    4   22   28 o   2.5560   0.8992   2.4950   1.2450   2.6160   1.2970 -0.1209000 1.798000 
1 1 1    4   22   29 o   2.1580   0.7928   2.1880   1.1370   2.1280   1.1050 0.6038000E-01 1.586000 
1 1 1    4   24    0 o   35.710   0.3380   35.410   0.4734   36.010   0.4825 -0.6022000 0.6760000 
1 1 1    4   24    1 o   17.520   0.4681   17.310   0.6549   17.730   0.6689 -0.4153000 0.9361000 
1 1 1    4   24    2 o   4.5040   1.1690   5.5090   1.7430   3.4980   1.5580 2.010000 2.338000 
1 1 1    4   24    3 o   25.070   0.3725   25.270   0.5194   24.870   0.5340 0.3942000 0.7449000 
1 1 1    4   24    4 o   30.460   0.3563   30.720   0.4891   30.200   0.5183 0.5213000 0.7126000 
1 1 1    4   24    5 o   25.740   0.3815   25.880   0.5199   25.600   0.5584 0.2808000 0.7630000 
1 1 1    4   24    6 o   14.570   0.5775   13.930   0.8103   15.200   0.8231 -1.277000 1.155000 
1 1 1    4   24    7 o   14.310   0.5915   14.790   0.7707   13.830   0.8976 0.9578000 1.183000 
1 1 1    4   24    8 o   19.210   0.4509   18.900   0.6190   19.520   0.6558 -0.6244000 0.9018000 
1 1 1    4   24    9 o   11.830   0.7376   13.330   0.8558   10.330   1.2020 2.995000 1.475000 
1 1 1    4   24   10 o   7.6360   1.0950   6.9650   1.5730   8.3070   1.5250 -1.341000 2.191000 
1 1 1    4   24   11 o   36.460   0.3537   36.120   0.4868   36.800   0.5133 -0.6716000 0.7074000 
1 1 1    4   24   12 o   24.970   0.3920   24.690   0.5426   25.250   0.5661 -0.5580000 0.7841000 
1 1 1    4   24   13 o   5.7970   1.2020   7.0270   1.5980   4.5670   1.7970 2.459000 2.405000 
1 1 1    4   24   14 o   8.0930   1.0660   6.8520   1.6450   9.3340   1.3570 -2.482000 2.133000 
1 1 1    4   24   15 o   4.9150   1.2260   5.9030   1.7580   3.9270   1.7090 1.976000 2.452000 
1 1 1    4   24   16 o   12.080   0.7415   12.400   0.9862   11.760   1.1080 0.6432000 1.483000 
1 1 1    4   24   17 f   9.4010   0.9916   9.3620   1.3630   9.4390   1.4400 -0.7677000E-01 1.983000 
1 1 1    4   24   18 o   8.2200   1.5880   7.9860   2.2320   8.4540   2.2600 -0.4680000 3.176000 
1 1 1    4   24   19 o   10.030   1.3830   8.5990   2.1410   11.460   1.7500 -2.857000 2.765000 
1 1 1    4   24   20 o   4.6120   1.2730   5.7600   1.9740   3.4640   1.6060 2.295000 2.545000 
1 1 1    4   24   21 o   4.7620   1.3150   3.8090   1.7080   5.7140   1.9990 -1.905000 2.629000 
1 1 1    4   24   22 o   5.9290   1.3790   6.7130   1.9260   5.1440   1.9750 1.569000 2.758000 
1 1 1    4   24   23 o   3.2300   1.0850   3.2310   1.5320   3.2280   1.5360 0.2988000E-02 2.169000 
1 1 1    4   24   24 o   5.5440   1.4670   4.7020   1.9650   6.3870   2.1780 -1.685000 2.934000 
1 1 1    4   24   25 o   3.1110   1.0980   3.1090   1.5470   3.1120   1.5570 -0.3029000E-02 2.195000 
1 1 1    4   24   26 o   2.9610   1.0160   2.8410   1.3850   3.0800   1.4860 -0.2386000 2.031000 
1 1 1    4   24   27 o   2.4610   0.8842   2.5240   1.2700   2.3980   1.2310 0.1258000 1.768000 
1 1 1    4   26    0 o   8.4470   0.9990   10.410   1.0560   6.4790   1.6960 3.936000 1.998000 
1 1 1    4   26    1 o   23.300   0.3829   23.630   0.5292   22.980   0.5534 0.6559000 0.7657000 
1 1 1    4   26    2 o   13.130   0.6133   13.410   0.8365   12.850   0.8973 0.5639000 1.227000 
1 1 1    4   26    3 o   25.560   0.3720   25.200   0.5277   25.910   0.5244 -0.7058000 0.7439000 
1 1 1    4   26    4 o   24.720   0.3944   24.730   0.5354   24.710   0.5793 0.2953000E-01 0.7888000 
1 1 1    4   26    5 o   7.4510   1.1350   9.1150   1.2850   5.7880   1.8700 3.326000 2.269000 
1 1 1    4   26    6 o   7.8290   1.1010   7.7220   1.4960   7.9360   1.6170 -0.2140000 2.203000 
1 1 1    4   26    7 o   19.620   0.4653   20.080   0.6132   19.150   0.7000 0.9272000 0.9306000 
1 1 1    4   26    8 o   5.7750   1.2780   6.0010   1.7400   5.5490   1.8730 0.4516000 2.557000 
1 1 1    4   26    9 o   13.840   0.6210   14.410   0.8032   13.280   0.9473 1.130000 1.242000 
1 1 1    4   26   10 o   13.220   0.6600   13.180   0.8876   13.270   0.9769 -0.9576000E-01 1.320000 
1 1 1    4   26   11 o   11.210   0.7729   11.610   0.9986   10.820   1.1800 0.7844000 1.546000 
1 1 1    4   26   12 o   9.1990   0.9640   8.4860   1.4350   9.9120   1.2870 -1.426000 1.928000 
1 1 1    4   26   13 o   3.2750   1.0650   3.6870   1.6130   2.8640   1.3930 0.8235000 2.131000 
1 1 1    4   26   14 o   3.7710   1.1660   4.1450   1.7210   3.3980   1.5750 0.7474000 2.333000 
1 1 1    4   26   15 o   4.5950   1.4040   5.2440   2.1120   3.9460   1.8490 1.297000 2.807000 
1 1 1    4   26   16 o   8.6030   1.5600   8.4800   2.2250   8.7260   2.1870 -0.2462000 3.120000 
1 1 1    4   26   17 o   6.1810   1.3610   5.5410   1.9200   6.8210   1.9300 -1.280000 2.722000 
1 1 1    4   26   18 o   8.8720   1.1690   8.1320   1.7610   9.6120   1.5370 -1.480000 2.337000 
1 1 1    4   26   19 o   4.1830   1.2780   4.3950   1.8510   3.9710   1.7610 0.4230000 2.555000 
1 1 1    4   26   20 o   3.6220   1.1790   3.5850   1.6530   3.6590   1.6820 -0.7431000E-01 2.358000 
1 1 1    4   26   21 o   4.9700   1.3810   4.9110   1.9340   5.0280   1.9720 -0.1178000 2.762000 
1 1 1    4   26   22 o   3.7300   1.7910   3.7300   1.7910  ?   ?       ?      ? 
1 1 1    4   26   23 o   2.7420   0.9820   2.6530   1.3430   2.8310   1.4330 -0.1777000 1.964000 
1 1 1    4   26   24 o   3.1390   1.0590   3.1750   1.5060   3.1030   1.4880 0.7258000E-01 2.117000 
1 1 1    4   26   25 o   2.1210   0.7795   2.1130   1.0980   2.1290   1.1070 -0.1669000E-01 1.559000 
1 1 1    4   28    0 o   12.120   0.7055   11.020   1.0640   13.210   0.9264 -2.187000 1.411000 
1 1 1    4   28    1 o   14.990   0.5686   14.200   0.8320   15.780   0.7752 -1.586000 1.137000 
1 1 1    4   28    2 o   16.960   0.5170   16.650   0.7374   17.270   0.7250 -0.6248000 1.034000 
1 1 1    4   28    3 o   3.7520   1.1800   3.7070   1.6220   3.7970   1.7130 -0.8996000E-01 2.359000 
1 1 1    4   28    4 o   11.340   0.7860   11.350   1.0610   11.330   1.1600 0.2021000E-01 1.572000 
1 1 1    4   28    5 o   6.7150   1.2630   7.0550   1.6930   6.3750   1.8750 0.6800000 2.526000 
1 1 1    4   28    6 o   5.2900   1.3060   5.2550   1.8170   5.3260   1.8770 -0.7134000E-01 2.612000 
1 1 1    4   28    7 o   4.4250   1.2580   4.2650   1.7350   4.5840   1.8230 -0.3188000 2.516000 
1 1 1    4   28    8 o   5.2810   1.2850   6.0990   1.8110   4.4630   1.8230 1.636000 2.569000 
1 1 1    4   28    9 o   5.0860   1.3490   4.1930   1.7270   5.9790   2.0740 -1.786000 2.699000 
1 1 1    4   28   10 o   9.2320   1.1540   9.5190   1.5550   8.9450   1.7060 0.5746000 2.308000 
1 1 1    4   28   11 o   16.550   0.8347   17.600   1.0950   15.490   1.2600 2.105000 1.669000 
1 1 1    4   28   12 f   11.320   1.2380   10.360   1.8980   12.280   1.5880 -1.921000 2.475000 
1 1 1    4   28   13 o   4.2340   1.3170   3.6120   1.6870   4.8560   2.0240 -1.244000 2.635000 
1 1 1    4   28   14 o   3.8030   1.1970   3.8560   1.6960   3.7500   1.6900 0.1061000 2.394000 
1 1 1    4   28   15 o   4.8600   1.3320   4.1840   1.7800   5.5370   1.9810 -1.353000 2.663000 
1 1 1    4   28   16 o   4.6020   1.2510   5.9010   1.9510   3.3040   1.5660 2.597000 2.502000 
1 1 1    4   28   17 o   5.7460   1.3720   6.4710   1.9230   5.0220   1.9570 1.448000 2.743000 
1 1 1    4   28   18 o   4.1930   1.2580   4.7870   1.8920   3.5990   1.6590 1.188000 2.516000 
1 1 1    4   28   19 o   3.1550   1.0620   3.7140   1.6810   2.5960   1.2980 1.118000 2.124000 
1 1 1    4   28   20 o   2.3720   0.8602   2.5150   1.2810   2.2290   1.1480 0.2862000 1.720000 
1 1 1    4   28   21 o   2.5550   0.9021   2.2590   1.1430   2.8510   1.3960 -0.5920000 1.804000 
1 1 1    4   28   22 o   2.2160   0.7942   2.3420   1.1780   2.0900   1.0660 0.2518000 1.588000 
1 1 1    4   30    0 o   9.7950   1.0760   9.8560   1.4760   9.7340   1.5650 0.1226000 2.151000 
1 1 1    4   30    1 f   7.1590   1.3630   6.4050   2.0010   7.9130   1.8520 -1.508000 2.727000 
1 1 1    4   30    2 o   5.7380   1.4210   5.3760   1.9940   6.1000   2.0250 -0.7241000 2.842000 
1 1 1    4   30    3 o   7.7280   1.4050   9.0700   1.6850   6.3860   2.2490 2.684000 2.810000 
1 1 1    4   30    4 o   5.6230   1.6020   5.9260   2.3050   5.3200   2.2260 0.6052000 3.204000 
1 1 1    4   30    5 o   8.9230   1.5930   8.4830   2.2880   9.3620   2.2180 -0.8786000 3.187000 
1 1 1    4   30    6 o   5.2620   1.4640   4.9230   2.0140   5.6020   2.1260 -0.6786000 2.929000 
1 1 1    4   30    7 o   4.9660   1.3770   3.7720   1.7510   6.1600   2.1250 -2.388000 2.754000 
1 1 1    4   30    8 o   5.7920   1.4470   4.7040   1.9760   6.8800   2.1150 -2.176000 2.894000 
1 1 1    4   30    9 o   9.4030   1.0420   9.8440   1.3850   8.9620   1.5560 0.8817000 2.083000 
1 1 1    4   30   10 o   5.6600   1.3040   4.3110   1.8100   7.0080   1.8780 -2.697000 2.608000 
1 1 1    4   30   11 o   3.8660   1.2140   3.8420   1.7090   3.8900   1.7260 -0.4793000E-01 2.429000 
1 1 1    4   30   12 o   5.7480   1.3840   5.5450   1.9480   5.9510   1.9670 -0.4055000 2.768000 
1 1 1    4   30   13 o   4.3330   1.2750   4.8510   1.8840   3.8150   1.7200 1.037000 2.551000 
1 1 1    4   30   14 o   3.4950   1.1430   3.3690   1.5680   3.6210   1.6620 -0.2513000 2.285000 
1 1 1    4   30   15 f   4.4600   1.2360   5.7880   1.9590   3.1320   1.5090 2.656000 2.473000 
1 1 1    4   30   16 o   2.7620   0.9934   2.3050   1.1820   3.2190   1.5970 -0.9139000 1.987000 
1 1 1    4   30   17 o   3.2660   1.1370   3.3440   1.6350   3.1870   1.5790 0.1571000 2.273000 
1 1 1    4   30   18 o   2.4150   0.8577   2.6940   1.3260   2.1360   1.0890 0.5579000 1.715000 
1 1 1    4   30   19 o   3.5270   1.1520   3.3660   1.6020   3.6880   1.6560 -0.3221000 2.304000 
1 1 1    4   32    0 o   4.4410   1.3600   4.7760   2.0610   4.1070   1.7740 0.6687000 2.719000 
1 1 1    4   32    1 o   8.9100   1.3130   7.4030   2.2430   10.420   1.3650 -3.014000 2.626000 
1 1 1    4   32    2 o   3.7670   1.2070   3.1750   1.5650   4.3600   1.8390 -1.185000 2.415000 
1 1 1    4   32    3 o   3.8200   1.2160   3.3840   1.6100   4.2560   1.8240 -0.8726000 2.433000 
1 1 1    4   32    4 o   11.110   0.8913   10.390   1.3020   11.840   1.2180 -1.445000 1.783000 
1 1 1    4   32    5 o   5.9930   1.3100   7.3450   1.8050   4.6400   1.9000 2.705000 2.621000 
1 1 1    4   32    6 o   6.3640   1.3190   7.5890   1.7680   5.1400   1.9570 2.448000 2.637000 
1 1 1    4   32    7 o   4.6950   1.3320   4.4130   1.8240   4.9780   1.9400 -0.5644000 2.663000 
1 1 1    4   32    8 o   5.7760   1.3890   5.6250   1.9300   5.9260   1.9970 -0.3005000 2.777000 
1 1 1    4   32    9 o   3.9560   1.1940   4.8450   1.8710   3.0670   1.4840 1.778000 2.388000 
1 1 1    4   32   10 o   3.0280   1.0330   2.5140   1.2550   3.5420   1.6410 -1.027000 2.066000 
1 1 1    4   32   11 o   4.8390   1.3980   4.3010   1.8810   5.3770   2.0680 -1.076000 2.795000 
1 1 1    4   32   12 o   3.0570   1.0750   3.2980   1.6190   2.8170   1.4160 0.4807000 2.151000 
1 1 1    4   32   13 o   2.9360   1.0390   3.4350   1.6630   2.4370   1.2440 0.9986000 2.077000 
1 1 1    4   32   14 o   3.0700   1.0500   3.4860   1.6310   2.6530   1.3220 0.8330000 2.099000 
1 1 1    4   32   15 f   2.3430   0.8519   2.4580   1.2520   2.2280   1.1560 0.2305000 1.704000 
1 1 1    4   34    0 o   3.1100   1.0630   3.1640   1.5220   3.0560   1.4850 0.1085000 2.127000 
1 1 1    4   34    1 o   3.2580   1.0920   3.9820   1.7740   2.5340   1.2750 1.448000 2.184000 
1 1 1    4   34    2 o   4.3300   1.2230   5.9270   2.0320   2.7320   1.3600 3.196000 2.445000 
1 1 1    4   34    3 f   5.3760   1.3520   6.7050   2.0140   4.0460   1.8030 2.659000 2.703000 
1 1 1    4   34    4 o   2.6220   0.9388   2.6460   1.3390   2.5990   1.3160 0.4747000E-01 1.878000 
1 1 1    4   34    5 o   3.4050   1.1670   3.4650   1.6750   3.3440   1.6260 0.1206000 2.334000 
1 1 1    4   34    6 o   3.0580   1.0530   3.5290   1.6580   2.5880   1.2990 0.9408000 2.106000 
1 1 1    4   34    7 o   3.2590   1.5580  ?   ?    3.2590   1.5580      ?      ? 
1 1 1    4   34    8 o   2.9060   1.0170   2.8480   1.4270   2.9630   1.4500 -0.1145000 2.035000 
1 1 1    4   34    9 o   2.1940   0.8005   2.0970   1.0870   2.2910   1.1750 -0.1940000 1.601000 
1 1 1    5    1    0 o  114.100   0.7169  114.000   1.0120  114.300   1.0160 -0.3285000 1.434000 
1 1 1    5    1    1 o   80.360   0.5047   79.940   0.7099   80.780   0.7176 -0.8364000 1.009000 
1 1 1    5    1    2 o   58.500   0.3985   59.030   0.5263   57.970   0.5985 1.065000 0.7970000 
1 1 1    5    1    3 o   39.020   0.2894   38.720   0.4060   39.330   0.4124 -0.6185000 0.5787000 
1 1 1    5    1    4 o   55.540   0.4987   55.950   0.7104   55.130   0.7001 0.8214000 0.9974000 
1 1 1    5    1    5 o   50.930   0.3257   51.390   0.4645   50.470   0.4567 0.9158000 0.6514000 
1 1 1    5    1    6 o  145.300   0.9130  145.000   1.2880  145.700   1.2950 -0.7832000 1.826000 
1 1 1    5    1    7 o   45.650   0.2976   45.620   0.4202   45.670   0.4217 -0.5494000E-01 0.5953000 
1 1 1    5    1    8 o   60.740   0.3887   60.400   0.5466   61.080   0.5528 -0.6765000 0.7774000 
1 1 1    5    1    9 o   35.450   0.3520   35.860   0.5013   35.030   0.4942 0.8275000 0.7039000 
1 1 1    5    1   10 o   56.010   0.3633   56.040   0.5140   55.980   0.5136 0.5599000E-01 0.7267000 
1 1 1    5    1   11 o   55.930   0.3641   55.620   0.5122   56.240   0.5178 -0.6207000 0.7283000 
1 1 1    5    1   12 o   20.500   0.2370   20.460   0.3337   20.550   0.3365 -0.8804000E-01 0.4740000 
1 1 1    5    1   13 o   23.830   0.2436   23.590   0.3439   24.070   0.3451 -0.4859000 0.4872000 
1 1 1    5    1   14 o   49.100   0.3318   49.000   0.4681   49.190   0.4705 -0.1943000 0.6637000 
1 1 1    5    1   15 o   52.340   0.3543   52.730   0.5031   51.950   0.4990 0.7768000 0.7087000 
1 1 1    5    1   16 o   49.440   0.3444   49.440   0.4847   49.450   0.4893 -0.1050000E-01 0.6887000 
1 1 1    5    1   17 f   15.790   0.4450   16.270   0.5748   15.300   0.6795 0.9720000 0.8900000 
1 1 1    5    1   18 o   22.230   0.4809   21.840   0.6852   22.620   0.6749 -0.7733000 0.9617000 
1 1 1    5    1   19 o   33.820   0.3261   33.810   0.4625   33.820   0.4597 -0.1442000E-02 0.6521000 
1 1 1    5    1   20 o   11.250   0.7153   12.360   0.8755   10.140   1.1310 2.221000 1.431000 
1 1 1    5    1   21 f   9.6320   0.7980   9.5260   1.1030   9.7380   1.1540 -0.2119000 1.596000 
1 1 1    5    1   22 o   23.980   0.3691   23.940   0.5246   24.010   0.5194 -0.6458000E-01 0.7383000 
1 1 1    5    1   23 o   5.2330   1.4220   4.5790   1.9480   5.8870   2.0710 -1.309000 2.843000 
1 1 1    5    1   24 o   23.300   0.3974   22.680   0.6207   23.920   0.4965 -1.237000 0.7948000 
1 1 1    5    1   25 o   12.820   0.5758   12.620   0.8244   13.020   0.8042 -0.3988000 1.152000 
1 1 1    5    1   26 o   9.6190   0.7285   10.050   1.0010   9.1910   1.0590 0.8565000 1.457000 
1 1 1    5    1   27 f   6.8650   1.0570   6.6440   1.5390   7.0860   1.4480 -0.4415000 2.113000 
1 1 1    5    1   28 o   6.7720   1.0670   6.7670   1.5060   6.7770   1.5130 -0.1073000E-01 2.135000 
1 1 1    5    1   29 o   3.6900   1.1140   4.0470   1.6460   3.3330   1.5010 0.7140000 2.227000 
1 1 1    5    1   30 o   9.6510   0.8548   9.9880   1.1470   9.3150   1.2680 0.6732000 1.710000 
1 1 1    5    1   31 o   6.8810   1.3280   4.9840   1.9650   8.7770   1.7860 -3.793000 2.656000 
1 1 1    5    1   32 f   11.080   0.7980   10.720   1.1520   11.440   1.1040 -0.7180000 1.596000 
1 1 1    5    1   33 o   11.800   0.8183   13.050   1.0170   10.540   1.2820 2.502000 1.637000 
1 1 1    5    1   34 o   3.2080   1.0810   2.7730   1.3670   3.6430   1.6740 -0.8692000 2.162000 
1 1 1    5    1   35 o   4.0080   1.3310   4.0070   1.8760   4.0080   1.8890 -0.1096000E-02 2.662000 
1 1 1    5    1   36 o   5.9050   1.3790   6.5440   1.9650   5.2670   1.9340 1.277000 2.757000 
1 1 1    5    1   37 o   2.7430   0.9697   3.0560   1.4990   2.4300   1.2310 0.6258000 1.939000 
1 1 1    5    3    0 o   11.080   0.2010   12.070   0.2614   10.080   0.3054 1.988000 0.4019000 
1 1 1    5    3    1 o   83.260   0.6053   82.750   0.8507   83.760   0.8613 -1.011000 1.211000 
1 1 1    5    3    2 f   16.270   0.1860   16.520   0.2455   16.020   0.2795 0.4960000 0.3720000 
1 1 1    5    3    3 o   58.350   0.5251   58.290   0.7417   58.400   0.7434 -0.1148000 1.050000 
1 1 1    5    3    4 f   57.200   0.4224   57.310   0.5984   57.100   0.5963 0.2174000 0.8447000 
1 1 1    5    3    5 o   33.840   0.2320   34.180   0.3302   33.510   0.3261 0.6715000 0.4641000 
1 1 1    5    3    6 o  154.400   1.0500  156.100   1.6030  152.700   1.3580 3.390000 2.101000 
1 1 1    5    3    7 o   21.640   0.2111   21.160   0.2760   22.120   0.3194 -0.9545000 0.4222000 
1 1 1    5    3    8 o   35.450   0.2854   35.380   0.4038   35.520   0.4035 -0.1343000 0.5708000 
1 1 1    5    3    9 o   53.780   0.4957   53.880   0.7022   53.680   0.6997 0.1981000 0.9913000 
1 1 1    5    3   10 o   25.410   0.2344   25.290   0.3474   25.540   0.3149 -0.2447000 0.4689000 
1 1 1    5    3   11 o   4.2980   0.8178   4.4080   1.1280   4.1870   1.1850 0.2207000 1.636000 
1 1 1    5    3   12 o   27.820   0.2391   27.680   0.3352   27.960   0.3412 -0.2772000 0.4783000 
1 1 1    5    3   13 o   51.030   0.3411   50.820   0.4797   51.230   0.4851 -0.4109000 0.6822000 
1 1 1    5    3   14 o   5.3450   0.8906   5.6070   1.2090   5.0830   1.3080 0.5245000 1.781000 
1 1 1    5    3   15 o   28.590   0.2751   28.700   0.3826   28.480   0.3954 0.2180000 0.5502000 
1 1 1    5    3   16 o   8.9730   0.6448   8.7850   0.9120   9.1600   0.9118 -0.3743000 1.290000 
1 1 1    5    3   17 o   12.360   0.5392   12.870   0.7200   11.860   0.8027 1.009000 1.078000 
1 1 1    5    3   18 o   13.320   0.7161   13.350   0.9716   13.300   1.0520 0.5577000E-01 1.432000 
1 1 1    5    3   19 o   29.750   0.3348   29.900   0.4668   29.590   0.4801 0.3132000 0.6696000 
1 1 1    5    3   20 o   36.290   0.3366   36.440   0.4716   36.140   0.4804 0.2965000 0.6732000 
1 1 1    5    3   21 o   10.760   0.7149   11.200   0.9355   10.330   1.0810 0.8700000 1.430000 
1 1 1    5    3   22 o   14.370   0.6798   16.200   1.0090   12.530   0.9110 3.672000 1.360000 
1 1 1    5    3   23 f   17.880   0.6484   18.410   0.8376   17.360   0.9900 1.053000 1.297000 
1 1 1    5    3   24 o   17.410   0.4326   17.550   0.6026   17.260   0.6210 0.2880000 0.8653000 
1 1 1    5    3   25 o   12.340   0.5734   12.260   0.8011   12.420   0.8205 -0.1594000 1.147000 
1 1 1    5    3   26 o   7.2880   0.9717   4.9180   1.6430   9.6580   1.0390 -4.740000 1.943000 
1 1 1    5    3   27 o   3.3510   1.0490   3.1980   1.4280   3.5040   1.5390 -0.3063000 2.099000 
1 1 1    5    3   28 o   2.7530   0.9244   2.5190   1.2200   2.9870   1.3890 -0.4680000 1.849000 
1 1 1    5    3   29 o   5.6010   1.1990   6.2370   1.6410   4.9640   1.7480 1.273000 2.398000 
1 1 1    5    3   30 o   4.3320   1.2870   3.5380   1.6420   5.1260   1.9820 -1.588000 2.574000 
1 1 1    5    3   31 o   4.5270   1.3720   4.3190   1.8870   4.7350   1.9920 -0.4156000 2.744000 
1 1 1    5    3   32 o   5.5420   1.3150   5.1070   1.8320   5.9760   1.8870 -0.8690000 2.631000 
1 1 1    5    3   33 f   4.8260   1.3370   4.3620   1.8290   5.2890   1.9500 -0.9274000 2.673000 
1 1 1    5    3   34 o   10.910   1.1150   10.420   1.5380   11.400   1.6150 -0.9807000 2.231000 
1 1 1    5    3   35 o   5.2080   1.5370   5.8950   2.2620   4.5200   2.0810 1.374000 3.074000 
1 1 1    5    3   36 o   3.8420   1.1950   4.6180   1.8770   3.0660   1.4800 1.552000 2.390000 
1 1 1    5    5    0 o   33.130   0.2637   33.240   0.3738   33.010   0.3720 0.2321000 0.5274000 
1 1 1    5    5    1 o   23.210   0.2238   23.200   0.3168   23.230   0.3164 -0.2900000E-01 0.4477000 
1 1 1    5    5    2 o  107.000   0.7787  107.700   1.1080  106.200   1.0940 1.428000 1.557000 
1 1 1    5    5    3 o  164.300   1.0320  164.700   1.4650  163.800   1.4550 0.9321000 2.065000 
1 1 1    5    5    4 o  173.700   1.0920  173.900   1.5460  173.400   1.5410 0.5237000 2.183000 
1 1 1    5    5    5 o   90.260   0.5705   90.860   0.8121   89.660   0.8015 1.197000 1.141000 
1 1 1    5    5    6 o   91.630   0.5795   92.290   0.8251   90.970   0.8140 1.323000 1.159000 
1 1 1    5    5    7 o   82.000   0.6013   82.100   0.8515   81.890   0.8494 0.2089000 1.203000 
1 1 1    5    5    8 o   29.990   0.3304   29.850   0.4669   30.140   0.4678 -0.2900000 0.6609000 
1 1 1    5    5    9 o   6.6250   0.5486   6.6170   0.7651   6.6340   0.7864 -0.1706000E-01 1.097000 
1 1 1    5    5   10 o   25.990   0.2324   26.030   0.3265   25.950   0.3307 0.8406000E-01 0.4648000 
1 1 1    5    5   11 o   18.400   0.2550   18.010   0.3609   18.800   0.3605 -0.7983000 0.5101000 
1 1 1    5    5   12 o   46.050   0.3159   46.150   0.4467   45.960   0.4468 0.1882000 0.6318000 
1 1 1    5    5   13 o   55.130   0.3671   55.170   0.5188   55.090   0.5196 0.7957000E-01 0.7343000 
1 1 1    5    5   14 o   12.900   0.4096   12.550   0.5776   13.250   0.5810 -0.6981000 0.8193000 
1 1 1    5    5   15 o   9.5100   0.6043   9.3470   0.8535   9.6730   0.8557 -0.3258000 1.209000 
1 1 1    5    5   16 o   20.930   0.3361   20.700   0.4646   21.160   0.4859 -0.4604000 0.6723000 
1 1 1    5    5   17 o   4.0400   1.2400   3.7760   1.6780   4.3050   1.8260 -0.5285000 2.480000 
1 1 1    5    5   18 o   28.060   0.4929   26.910   0.8034   29.220   0.5713 -2.313000 0.9858000 
1 1 1    5    5   19 o   30.250   0.3412   29.730   0.4700   30.770   0.4947 -1.036000 0.6824000 
1 1 1    5    5   20 o   31.940   0.3357   32.540   0.4640   31.340   0.4852 1.200000 0.6713000 
1 1 1    5    5   21 o   5.2780   1.2230   5.9000   1.6890   4.6560   1.7690 1.243000 2.446000 
1 1 1    5    5   22 o   20.140   0.5966   18.870   0.8424   21.410   0.8451 -2.532000 1.193000 
1 1 1    5    5   23 o   11.600   0.6486   12.120   0.8471   11.070   0.9826 1.049000 1.297000 
1 1 1    5    5   24 o   23.440   0.3612   23.130   0.5045   23.750   0.5170 -0.6219000 0.7224000 
1 1 1    5    5   25 o   13.300   0.5407   12.900   0.7716   13.700   0.7576 -0.8000000 1.081000 
1 1 1    5    5   26 o   6.1980   1.0120   3.9000   1.5880   8.4960   1.2560 -4.596000 2.024000 
1 1 1    5    5   27 o   6.5130   1.0820   5.8370   1.5830   7.1890   1.4770 -1.352000 2.165000 
1 1 1    5    5   28 o   18.860   0.4299   18.890   0.5911   18.840   0.6243 0.5754000E-01 0.8598000 
1 1 1    5    5   29 o   8.1740   0.9897   6.9160   1.5340   9.4310   1.2510 -2.515000 1.979000 
1 1 1    5    5   30 o   4.5850   1.3700   4.3040   1.8690   4.8670   2.0050 -0.5626000 2.741000 
1 1 1    5    5   31 o   9.7550   0.8970   9.0900   1.3410   10.420   1.1920 -1.329000 1.794000 
1 1 1    5    5   32 o   11.990   0.7821   11.460   1.1210   12.520   1.0910 -1.057000 1.564000 
1 1 1    5    5   33 o   10.220   0.9761   10.470   1.2980   9.9610   1.4580 0.5134000 1.952000 
1 1 1    5    5   34 o   5.3470   1.5260   6.4390   2.3020   4.2540   2.0050 2.185000 3.053000 
1 1 1    5    5   35 o   3.0060   1.0310   3.0260   1.4670   2.9850   1.4500 0.4109000E-01 2.063000 
1 1 1    5    5   36 o   2.7490   0.9607   2.6010   1.2950   2.8980   1.4190 -0.2968000 1.921000 
1 1 1    5    7    0 o   53.900   0.3492   54.170   0.4960   53.640   0.4917 0.5301000 0.6984000 
1 1 1    5    7    1 o   11.320   0.3037   11.460   0.4204   11.170   0.4384 0.2881000 0.6074000 
1 1 1    5    7    2 o   35.820   0.2943   35.970   0.4202   35.670   0.4123 0.3059000 0.5886000 
1 1 1    5    7    3 o  172.500   1.0860  172.800   1.5400  172.100   1.5330 0.7029000 2.173000 
1 1 1    5    7    4 o  111.400   0.7037  111.600   0.9975  111.100   0.9927 0.5607000 1.407000 
1 1 1    5    7    5 f   71.600   0.5291   71.630   0.7488   71.570   0.7478 0.6284000E-01 1.058000 
1 1 1    5    7    6 o   9.0390   0.5828   9.7560   0.7519   8.3220   0.8907 1.433000 1.166000 
1 1 1    5    7    7 o   15.040   0.3342   15.550   0.4494   14.540   0.4947 1.013000 0.6683000 
1 1 1    5    7    8 o   17.690   0.2700   17.900   0.3942   17.470   0.3691 0.4294000 0.5400000 
1 1 1    5    7    9 o   80.520   0.5150   80.260   0.7256   80.780   0.7309 -0.5174000 1.030000 
1 1 1    5    7   10 o   20.660   0.2575   20.850   0.3603   20.460   0.3678 0.3927000 0.5149000 
1 1 1    5    7   11 o   11.960   0.3889   12.060   0.5440   11.850   0.5558 0.2081000 0.7777000 
1 1 1    5    7   12 o   24.310   0.2668   24.760   0.3752   23.870   0.3793 0.8882000 0.5335000 
1 1 1    5    7   13 o   16.710   0.3354   17.040   0.4598   16.370   0.4885 0.6603000 0.6709000 
1 1 1    5    7   14 o   67.130   0.4411   67.010   0.6218   67.240   0.6257 -0.2337000 0.8821000 
1 1 1    5    7   15 o   25.990   0.3012   25.760   0.4161   26.210   0.4356 -0.4503000 0.6024000 
1 1 1    5    7   16 o   16.730   0.5925   17.350   0.7916   16.110   0.8818 1.234000 1.185000 
1 1 1    5    7   17 o   22.950   0.5024   23.440   0.6862   22.470   0.7340 0.9781000 1.005000 
1 1 1    5    7   18 f   14.510   0.5661   14.820   0.7701   14.190   0.8299 0.6291000 1.132000 
1 1 1    5    7   19 o   33.670   0.3368   33.410   0.4651   33.920   0.4872 -0.5016000 0.6735000 
1 1 1    5    7   20 o   29.110   0.3511   29.300   0.4807   28.920   0.5118 0.3845000 0.7021000 
1 1 1    5    7   21 o   11.370   0.7150   11.840   0.9217   10.890   1.0930 0.9496000 1.430000 
1 1 1    5    7   22 o   4.5890   1.3800   4.6820   1.9310   4.4950   1.9730 0.1872000 2.761000 
1 1 1    5    7   23 o   8.3580   0.8976   8.4780   1.1760   8.2370   1.3560 0.2413000 1.795000 
1 1 1    5    7   24 o   12.580   0.5896   13.530   0.7398   11.630   0.9183 1.901000 1.179000 
1 1 1    5    7   25 o   10.240   0.7021   10.530   0.9424   9.9460   1.0410 0.5821000 1.404000 
1 1 1    5    7   26 o   12.900   0.5679   12.840   0.7576   12.970   0.8462 -0.1233000 1.136000 
1 1 1    5    7   27 o   3.4260   1.0600   3.1230   1.4160   3.7290   1.5780 -0.6060000 2.120000 
1 1 1    5    7   28 o   6.7740   1.1110   7.7610   1.3790   5.7870   1.7420 1.974000 2.222000 
1 1 1    5    7   29 o   13.690   0.6036   12.780   0.8696   14.600   0.8375 -1.818000 1.207000 
1 1 1    5    7   30 o   4.9070   1.4150   4.6310   1.9610   5.1840   2.0410 -0.5534000 2.830000 
1 1 1    5    7   31 o   6.0740   1.0840   3.6100   1.6050   8.5390   1.4580 -4.930000 2.168000 
1 1 1    5    7   32 o   8.7880   1.1280   10.710   1.2720   6.8700   1.8630 3.835000 2.256000 
1 1 1    5    7   33 o   3.5480   1.1560   3.4600   1.5930   3.6360   1.6750 -0.1756000 2.311000 
1 1 1    5    7   34 o   4.0420   1.3480   4.1340   1.9270   3.9490   1.8860 0.1850000 2.696000 
1 1 1    5    7   35 o   2.8520   0.9899   2.7890   1.3760   2.9140   1.4240 -0.1250000 1.980000 
1 1 1    5    7   36 o   2.6890   0.9400   2.5370   1.2680   2.8410   1.3880 -0.3036000 1.880000 
1 1 1    5    9    0 o   8.5730   0.5398   8.8680   0.7271   8.2780   0.7980 0.5900000 1.080000 
1 1 1    5    9    1 o   59.490   0.4459   59.150   0.6267   59.840   0.6346 -0.6907000 0.8919000 
1 1 1    5    9    2 o   59.830   0.4492   59.620   0.6328   60.040   0.6378 -0.4254000 0.8985000 
1 1 1    5    9    3 o   45.370   0.4358   46.100   0.6222   44.650   0.6102 1.448000 0.8715000 
1 1 1    5    9    4 o   57.980   0.4389   58.340   0.6237   57.630   0.6177 0.7171000 0.8779000 
1 1 1    5    9    5 o   33.340   0.3035   33.660   0.4296   33.030   0.4287 0.6290000 0.6069000 
1 1 1    5    9    6 o   17.890   0.2766   18.550   0.3810   17.220   0.4012 1.340000 0.5532000 
1 1 1    5    9    7 o   68.560   0.4435   68.760   0.6289   68.360   0.6256 0.4002000 0.8871000 
1 1 1    5    9    8 o   72.970   0.4707   73.060   0.6663   72.880   0.6651 0.1834000 0.9415000 
1 1 1    5    9    9 o   74.610   0.4810   75.040   0.6834   74.190   0.6769 0.8500000 0.9619000 
1 1 1    5    9   10 o   36.180   0.2827   36.110   0.3967   36.260   0.4029 -0.1488000 0.5654000 
1 1 1    5    9   11 o   64.750   0.4252   64.930   0.6023   64.570   0.6003 0.3601000 0.8504000 
1 1 1    5    9   12 o   44.660   0.3238   44.960   0.4583   44.350   0.4577 0.6080000 0.6477000 
1 1 1    5    9   13 o   21.700   0.3262   21.720   0.4543   21.680   0.4683 0.4419000E-01 0.6525000 
1 1 1    5    9   14 o   36.060   0.3089   36.190   0.4327   35.930   0.4409 0.2637000 0.6178000 
1 1 1    5    9   15 o   26.550   0.4483   26.580   0.6276   26.520   0.6402 0.5840000E-01 0.8966000 
1 1 1    5    9   16 o   48.800   0.7211  ?   ?    48.800   0.7211      ?      ? 
1 1 1    5    9   17 o   33.890   0.3370   33.440   0.4709   34.350   0.4822 -0.9095000 0.6740000 
1 1 1    5    9   18 o   10.930   0.7402   11.550   0.9487   10.310   1.1360 1.241000 1.480000 
1 1 1    5    9   19 o   20.930   0.4223   20.820   0.5748   21.040   0.6188 -0.2173000 0.8446000 
1 1 1    5    9   20 f   22.530   0.3950   22.180   0.5420   22.880   0.5746 -0.7008000 0.7899000 
1 1 1    5    9   21 o   5.9480   1.4800   5.2700   1.9600   6.6250   2.2180 -1.355000 2.960000 
1 1 1    5    9   22 o   18.810   0.4291   18.980   0.5838   18.640   0.6291 0.3384000 0.8583000 
1 1 1    5    9   23 o   26.930   0.3412   26.350   0.4742   27.510   0.4907 -1.166000 0.6823000 
1 1 1    5    9   24 o   6.2000   1.1320   6.1930   1.5520   6.2080   1.6500 -0.1485000E-01 2.265000 
1 1 1    5    9   25 o   12.080   0.6129   12.010   0.8265   12.140   0.9051 -0.1313000 1.226000 
1 1 1    5    9   26 o   13.560   0.5569   14.420   0.6879   12.700   0.8760 1.722000 1.114000 
1 1 1    5    9   27 o   3.8470   1.1230   4.3590   1.6610   3.3340   1.5130 1.025000 2.247000 
1 1 1    5    9   28 f   17.570   0.4770   17.510   0.6649   17.620   0.6840 -0.1074000 0.9539000 
1 1 1    5    9   29 o   5.8030   1.4830   6.3210   2.1250   5.2850   2.0680 1.036000 2.965000 
1 1 1    5    9   30 o   3.9530   1.2050   3.6890   1.6460   4.2160   1.7590 -0.5269000 2.409000 
1 1 1    5    9   31 o   9.5860   0.9757   9.7190   1.3160   9.4540   1.4410 0.2655000 1.951000 
1 1 1    5    9   32 o   4.4070   1.3000   4.0840   1.7680   4.7310   1.9050 -0.6470000 2.599000 
1 1 1    5    9   33 o   5.9640   1.5970   7.1780   2.3690   4.7500   2.1420 2.428000 3.194000 
1 1 1    5    9   34 o   5.7360   1.5020   6.3600   2.1680   5.1120   2.0790 1.249000 3.003000 
1 1 1    5    9   35 o   2.9360   1.0100   3.1500   1.5070   2.7210   1.3450 0.4289000 2.020000 
1 1 1    5   11    0 o   45.320   0.3127   45.550   0.4436   45.080   0.4408 0.4730000 0.6253000 
1 1 1    5   11    1 o   31.800   0.2592   32.270   0.3672   31.330   0.3660 0.9396000 0.5184000 
1 1 1    5   11    2 f   29.920   0.2569   30.420   0.3631   29.420   0.3634 0.9987000 0.5138000 
1 1 1    5   11    3 o   6.2760   0.7767   6.6050   1.0240   5.9470   1.1680 0.6573000 1.553000 
1 1 1    5   11    4 o   23.720   0.2855   23.420   0.4260   24.020   0.3803 -0.6022000 0.5711000 
1 1 1    5   11    5 o   18.920   0.3033   19.050   0.4256   18.790   0.4322 0.2658000 0.6066000 
1 1 1    5   11    6 o   27.670   0.2975   27.240   0.4546   28.100   0.3837 -0.8684000 0.5949000 
1 1 1    5   11    7 o   38.070   0.2921   38.220   0.4119   37.920   0.4142 0.3058000 0.5841000 
1 1 1    5   11    8 o   44.540   0.3199   44.270   0.4500   44.810   0.4548 -0.5402000 0.6397000 
1 1 1    5   11    9 o   23.400   0.3247   22.770   0.4234   24.040   0.4925 -1.270000 0.6495000 
1 1 1    5   11   10 o   14.380   0.4244   14.240   0.5917   14.520   0.6086 -0.2820000 0.8488000 
1 1 1    5   11   11 f   20.950   0.3405   20.830   0.4757   21.070   0.4872 -0.2387000 0.6809000 
1 1 1    5   11   12 o   37.790   0.3151   37.780   0.4448   37.810   0.4464 -0.2837000E-01 0.6302000 
1 1 1    5   11   13 o   25.680   0.3370   26.010   0.4613   25.350   0.4915 0.6596000 0.6740000 
1 1 1    5   11   14 o   8.4570   1.2190   5.8530   1.9940   11.060   1.4040 -5.207000 2.439000 
1 1 1    5   11   15 o   22.470   0.4924   21.960   0.6948   22.970   0.6980 -1.012000 0.9848000 
1 1 1    5   11   16 o   37.850   0.3430   38.080   0.4833   37.610   0.4868 0.4711000 0.6860000 
1 1 1    5   11   17 o   30.540   0.3495   29.870   0.4898   31.210   0.4987 -1.342000 0.6990000 
1 1 1    5   11   18 o   26.850   0.3669   26.840   0.5030   26.860   0.5344 -0.1914000E-01 0.7338000 
1 1 1    5   11   19 f   22.960   0.3954   22.670   0.5435   23.250   0.5743 -0.5804000 0.7907000 
1 1 1    5   11   20 o   17.090   0.7071   16.230   0.9885   17.950   1.0110 -1.716000 1.414000 
1 1 1    5   11   21 o   30.210   0.3371   30.360   0.4662   30.060   0.4870 0.3001000 0.6742000 
1 1 1    5   11   22 o   12.170   0.6030   12.330   0.8130   12.010   0.8906 0.3181000 1.206000 
1 1 1    5   11   23 o   7.7770   0.9514   7.7920   1.2890   7.7610   1.3990 0.3084000E-01 1.903000 
1 1 1    5   11   24 o   9.7950   0.7360   8.9820   1.0510   10.610   1.0300 -1.628000 1.472000 
1 1 1    5   11   25 o   9.0100   0.8173   8.8220   1.1210   9.1980   1.1900 -0.3753000 1.635000 
1 1 1    5   11   26 f   7.7160   1.0180   8.7010   1.1680   6.7310   1.6670 1.970000 2.036000 
1 1 1    5   11   27 o   14.550   0.5530   14.480   0.7561   14.620   0.8073 -0.1342000 1.106000 
1 1 1    5   11   28 o   4.0150   1.2640   4.6360   1.9330   3.3940   1.6290 1.242000 2.528000 
1 1 1    5   11   29 o   4.8470   1.4070   5.5470   2.0940   4.1460   1.8790 1.401000 2.814000 
1 1 1    5   11   30 o   5.2940   1.2810   3.9760   1.7110   6.6120   1.9060 -2.636000 2.561000 
1 1 1    5   11   31 o   3.5100   1.1440   3.5910   1.6280   3.4290   1.6070 0.1621000 2.288000 
1 1 1    5   11   32 o   5.1350   1.3560   5.6170   1.9290   4.6530   1.9060 0.9637000 2.712000 
1 1 1    5   11   33 o   4.2480   1.3820   4.6700   2.0490   3.8270   1.8550 0.8426000 2.764000 
1 1 1    5   11   34 o   3.3130   1.1030   3.7740   1.7090   2.8520   1.3940 0.9216000 2.206000 
1 1 1    5   11   35 o   2.3590   0.8420   2.3170   1.1710   2.4020   1.2100 -0.8553000E-01 1.684000 
1 1 1    5   13    0 o   65.400   0.4268   65.450   0.6043   65.340   0.6028 0.1106000 0.8536000 
1 1 1    5   13    1 f   72.790   0.4704   72.720   0.6649   72.870   0.6656 -0.1437000 0.9408000 
1 1 1    5   13    2 o   22.690   0.2922   22.450   0.4155   22.930   0.4111 -0.4808000 0.5844000 
1 1 1    5   13    3 o   62.420   0.4121   62.630   0.5839   62.220   0.5816 0.4129000 0.8242000 
1 1 1    5   13    4 o   4.5560   1.0250   5.3710   1.4340   3.7410   1.4650 1.630000 2.050000 
1 1 1    5   13    5 o   46.560   0.3335   47.180   0.4744   45.930   0.4688 1.258000 0.6669000 
1 1 1    5   13    6 o   31.000   0.2905   30.870   0.4063   31.140   0.4153 -0.2659000 0.5810000 
1 1 1    5   13    7 o   38.920   0.3111   38.660   0.4388   39.180   0.4411 -0.5144000 0.6222000 
1 1 1    5   13    8 o   10.240   0.6533   10.390   0.8960   10.080   0.9510 0.3055000 1.307000 
1 1 1    5   13    9 o   69.380   0.4593   69.990   0.6544   68.770   0.6446 1.229000 0.9185000 
1 1 1    5   13   10 f   26.540   0.3328   26.220   0.4751   26.860   0.4662 -0.6395000 0.6656000 
1 1 1    5   13   11 o   18.200   0.4374   18.250   0.6177   18.160   0.6194 0.9110000E-01 0.8747000 
1 1 1    5   13   12 o   49.090   0.5159   49.690   0.7357   48.480   0.7234 1.212000 1.032000 
1 1 1    5   13   13 o   21.820   0.5872   23.200   0.7614   20.450   0.8941 2.757000 1.174000 
1 1 1    5   13   14 o   17.370   0.5008   17.490   0.6783   17.240   0.7369 0.2474000 1.002000 
1 1 1    5   13   15 f   35.450   0.3491   35.450   0.4873   35.450   0.5000 -0.7858000E-03 0.6982000 
1 1 1    5   13   16 o   21.110   0.4330   20.580   0.6041   21.640   0.6204 -1.067000 0.8660000 
1 1 1    5   13   17 o   27.260   0.3658   27.450   0.5000   27.060   0.5341 0.3950000 0.7316000 
1 1 1    5   13   18 o   20.830   0.4886   20.590   0.6695   21.080   0.7119 -0.4872000 0.9773000 
1 1 1    5   13   19 o   18.060   0.6738   17.660   0.9114   18.450   0.9926 -0.7931000 1.348000 
1 1 1    5   13   20 o   8.6900   0.8782   9.5760   1.0470   7.8040   1.4100 1.772000 1.756000 
1 1 1    5   13   21 o   9.1260   0.8765   10.450   0.9719   7.8000   1.4590 2.652000 1.753000 
1 1 1    5   13   22 f   19.110   0.4187   19.070   0.5607   19.140   0.6220 -0.7327000E-01 0.8374000 
1 1 1    5   13   23 o   4.4020   1.1550   3.4490   1.5000   5.3540   1.7580 -1.905000 2.311000 
1 1 1    5   13   24 o   4.5750   1.1900   4.4620   1.6530   4.6870   1.7130 -0.2251000 2.380000 
1 1 1    5   13   25 o   9.7660   0.7836   10.060   1.0170   9.4740   1.1930 0.5858000 1.567000 
1 1 1    5   13   26 o   13.510   0.5961   12.390   0.8550   14.630   0.8309 -2.238000 1.192000 
1 1 1    5   13   27 o   4.2170   1.2710   3.7690   1.6840   4.6640   1.9030 -0.8955000 2.541000 
1 1 1    5   13   28 o   6.1850   1.5120   6.0600   2.0830   6.3110   2.1920 -0.2511000 3.024000 
1 1 1    5   13   29 o   7.1880   1.2270   7.6030   1.6070   6.7740   1.8550 0.8294000 2.454000 
1 1 1    5   13   30 o   3.9420   1.1890   2.7870   1.3600   5.0970   1.9510 -2.310000 2.379000 
1 1 1    5   13   31 o   3.7400   1.1880   4.1500   1.7790   3.3310   1.5740 0.8186000 2.376000 
1 1 1    5   13   32 o   5.3030   1.5340   6.3240   2.3310   4.2830   1.9950 2.041000 3.068000 
1 1 1    5   13   33 o   4.8520   1.3060   5.7740   1.9510   3.9290   1.7390 1.845000 2.613000 
1 1 1    5   13   34 o   3.1720   1.0680   3.1550   1.5030   3.1890   1.5170 -0.3368000E-01 2.135000 
1 1 1    5   15    0 o   72.830   0.4749   73.080   0.6736   72.570   0.6695 0.5036000 0.9497000 
1 1 1    5   15    1 o   89.850   0.5763   89.950   0.8161   89.750   0.8141 0.1979000 1.153000 
1 1 1    5   15    2 o   34.740   0.3058   34.880   0.4336   34.590   0.4312 0.2916000 0.6115000 
1 1 1    5   15    3 o   81.120   0.5260   82.140   0.7515   80.110   0.7361 2.030000 1.052000 
1 1 1    5   15    4 o   44.920   0.3380   45.550   0.4793   44.300   0.4768 1.254000 0.6760000 
1 1 1    5   15    5 o   19.950   0.3929   20.350   0.5374   19.540   0.5733 0.8020000 0.7858000 
1 1 1    5   15    6 o   10.630   0.7037   11.670   0.8732   9.5870   1.1040 2.082000 1.407000 
1 1 1    5   15    7 o   16.340   0.4709   15.670   0.6760   17.010   0.6558 -1.334000 0.9418000 
1 1 1    5   15    8 o   51.800   0.4288   51.730   0.6062   51.880   0.6065 -0.1564000 0.8575000 
1 1 1    5   15    9 f   38.450   0.3845   38.880   0.5441   38.020   0.5435 0.8586000 0.7690000 
1 1 1    5   15   10 o   61.790   0.6040   61.810   0.8558   61.760   0.8527 0.5041000E-01 1.208000 
1 1 1    5   15   11 f   77.180   0.5940   77.730   0.8466   76.630   0.8334 1.106000 1.188000 
1 1 1    5   15   12 o   19.640   0.4728   19.830   0.6548   19.460   0.6822 0.3688000 0.9456000 
1 1 1    5   15   13 o   17.670   0.5209   18.040   0.7039   17.300   0.7680 0.7397000 1.042000 
1 1 1    5   15   14 o   20.220   0.4490   20.440   0.6189   20.000   0.6507 0.4434000 0.8980000 
1 1 1    5   15   15 o   4.2170   1.2040   4.7970   1.7710   3.6370   1.6310 1.160000 2.407000 
1 1 1    5   15   16 o   21.420   0.4306   21.660   0.5837   21.190   0.6331 0.4730000 0.8611000 
1 1 1    5   15   17 o   5.3660   1.3520   6.9680   2.0370   3.7650   1.7780 3.202000 2.704000 
1 1 1    5   15   18 o   16.020   0.6297   15.810   0.8481   16.230   0.9311 -0.4261000 1.259000 
1 1 1    5   15   19 o   10.740   0.7248   10.440   1.0080   11.030   1.0420 -0.5912000 1.450000 
1 1 1    5   15   20 o   5.0300   1.2180   4.5520   1.6810   5.5080   1.7620 -0.9567000 2.436000 
1 1 1    5   15   21 o   8.8880   0.8746   9.6540   1.0690   8.1220   1.3840 1.532000 1.749000 
1 1 1    5   15   22 o   5.7430   1.0200   7.9380   1.2980   3.5480   1.5730 4.390000 2.040000 
1 1 1    5   15   23 o   8.9450   0.9271   6.9230   1.5310   10.970   1.0460 -4.042000 1.854000 
1 1 1    5   15   24 o   4.9170   1.1970   3.8120   1.5990   6.0220   1.7810 -2.211000 2.393000 
1 1 1    5   15   25 o   3.3070   1.0570   3.6030   1.5580   3.0110   1.4290 0.5920000 2.114000 
1 1 1    5   15   26 o   4.0260   1.2740   3.9650   1.7610   4.0880   1.8420 -0.1229000 2.548000 
1 1 1    5   15   27 o   4.6390   1.3970   3.8390   1.7830   5.4400   2.1510 -1.601000 2.794000 
1 1 1    5   15   28 o   7.7530   1.2100   8.8660   1.4120   6.6410   1.9660 2.225000 2.420000 
1 1 1    5   15   29 o   5.5030   1.3830   5.5610   1.9100   5.4450   2.0000 0.1161000 2.766000 
1 1 1    5   15   30 o   3.5940   1.1710   3.2570   1.5320   3.9310   1.7730 -0.6741000 2.343000 
1 1 1    5   15   31 o   4.9940   1.5340   4.9800   2.1260   5.0080   2.2120 -0.2870000E-01 3.068000 
1 1 1    5   15   32 o   2.8510   0.9780   3.3170   1.5430   2.3850   1.2030 0.9324000 1.956000 
1 1 1    5   15   33 o   3.2160   1.0670   3.6480   1.6410   2.7830   1.3640 0.8648000 2.134000 
1 1 1    5   17    0 o   34.110   0.4175   35.290   0.5386   32.930   0.6380 2.365000 0.8350000 
1 1 1    5   17    1 o   12.940   0.6952   13.080   0.9944   12.790   0.9718 0.2919000 1.390000 
1 1 1    5   17    2 o   26.060   0.4158   26.820   0.5889   25.290   0.5871 1.538000 0.8316000 
1 1 1    5   17    3 o   19.600   0.4950   19.700   0.7119   19.490   0.6880 0.2194000 0.9901000 
1 1 1    5   17    4 o   54.920   0.4532   55.160   0.6425   54.680   0.6394 0.4824000 0.9064000 
1 1 1    5   17    5 o   16.490   0.6091   16.020   0.8940   16.960   0.8275 -0.9360000 1.218000 
1 1 1    5   17    6 o   30.800   0.7439   30.800   0.7439  ?   ?       ?      ? 
1 1 1    5   17    7 o   42.660   0.4245   42.780   0.5928   42.550   0.6078 0.2220000 0.8490000 
1 1 1    5   17    8 o   9.9770   1.1320   9.5580   1.6570   10.400   1.5440 -0.8372000 2.264000 
1 1 1    5   17    9 o   28.980   0.4462   28.530   0.5966   29.440   0.6637 -0.9051000 0.8924000 
1 1 1    5   17   10 o   34.940   0.3671   35.270   0.5171   34.610   0.5213 0.6527000 0.7342000 
1 1 1    5   17   11 o   18.380   0.5273   17.760   0.7557   19.000   0.7355 -1.241000 1.055000 
1 1 1    5   17   12 o   45.160   0.3737   45.240   0.5266   45.090   0.5303 0.1474000 0.7474000 
1 1 1    5   17   13 o   58.010   0.4190   58.030   0.5908   57.990   0.5943 0.4349000E-01 0.8380000 
1 1 1    5   17   14 f   29.390   0.4310   29.560   0.6088   29.220   0.6103 0.3467000 0.8620000 
1 1 1    5   17   15 o   44.930   0.5365   45.270   0.7597   44.580   0.7577 0.6931000 1.073000 
1 1 1    5   17   16 o   20.600   0.5224   20.690   0.6846   20.500   0.7893 0.1907000 1.045000 
1 1 1    5   17   17 o   8.7820   0.9396   7.6850   1.4460   9.8800   1.2000 -2.195000 1.879000 
1 1 1    5   17   18 o   4.9700   1.1560   3.7140   1.5770   6.2260   1.6900 -2.513000 2.311000 
1 1 1    5   17   19 f   7.5980   1.0270   6.6310   1.5680   8.5650   1.3280 -1.934000 2.055000 
1 1 1    5   17   20 o   18.950   0.4355   18.980   0.5961   18.920   0.6350 0.5701000E-01 0.8709000 
1 1 1    5   17   21 o   4.5540   1.0530   6.3960   1.6400   2.7130   1.3200 3.683000 2.105000 
1 1 1    5   17   22 o   18.870   0.4504   19.440   0.6004   18.300   0.6716 1.132000 0.9009000 
1 1 1    5   17   23 o   11.860   0.6902   11.620   0.9577   12.100   0.9941 -0.4824000 1.380000 
1 1 1    5   17   24 o   4.3980   1.2290   4.7870   1.7670   4.0100   1.7070 0.7769000 2.457000 
1 1 1    5   17   25 o   5.0750   1.4520   5.1450   2.0450   5.0050   2.0620 0.1400000 2.904000 
1 1 1    5   17   26 o   3.5620   1.1680   3.4400   1.5970   3.6850   1.7060 -0.2456000 2.337000 
1 1 1    5   17   27 o   5.4040   1.3440   5.8520   1.8780   4.9570   1.9240 0.8955000 2.689000 
1 1 1    5   17   28 f   5.4080   1.3610   5.8660   1.9240   4.9510   1.9260 0.9149000 2.722000 
1 1 1    5   17   29 o   4.4340   1.3060   4.3680   1.8250   4.5000   1.8690 -0.1317000 2.612000 
1 1 1    5   17   30 o   4.0530   1.3570   3.8720   1.8370   4.2330   1.9970 -0.3612000 2.714000 
1 1 1    5   17   31 o   3.1960   1.0720   2.9190   1.4150   3.4740   1.6120 -0.5556000 2.145000 
1 1 1    5   17   32 o   2.6260   0.9196   2.4200   1.2150   2.8320   1.3810 -0.4121000 1.839000 
1 1 1    5   19    0 o   24.900   0.4613   24.230   0.6737   25.560   0.6304 -1.333000 0.9226000 
1 1 1    5   19    1 o   45.310   0.4213   45.640   0.6011   44.980   0.5906 0.6553000 0.8427000 
1 1 1    5   19    2 o   20.370   0.5361   20.780   0.7620   19.960   0.7544 0.8194000 1.072000 
1 1 1    5   19    3 o   37.980   0.4110   37.860   0.5866   38.100   0.5758 -0.2329000 0.8220000 
1 1 1    5   19    4 o   19.670   0.4993   19.680   0.6922   19.650   0.7198 0.2818000E-01 0.9986000 
1 1 1    5   19    5 o   37.770   0.3619   37.910   0.5039   37.630   0.5196 0.2811000 0.7238000 
1 1 1    5   19    6 o   12.590   0.7492   12.000   1.0880   13.180   1.0310 -1.181000 1.498000 
1 1 1    5   19    7 o   20.510   0.4773   20.270   0.6703   20.760   0.6798 -0.4888000 0.9547000 
1 1 1    5   19    8 o   25.640   0.4085   25.210   0.5701   26.060   0.5852 -0.8494000 0.8170000 
1 1 1    5   19    9 o   39.450   0.3617   39.700   0.5026   39.200   0.5203 0.5015000 0.7235000 
1 1 1    5   19   10 o   24.950   0.4085   25.410   0.5525   24.500   0.6019 0.9098000 0.8170000 
1 1 1    5   19   11 o   29.600   0.4372   30.360   0.6164   28.840   0.6202 1.517000 0.8744000 
1 1 1    5   19   12 o   25.710   0.5647   25.740   0.7776   25.670   0.8189 0.6650000E-01 1.129000 
1 1 1    5   19   13 o   22.270   0.6056   22.150   0.8053   22.400   0.9048 -0.2474000 1.211000 
1 1 1    5   19   14 o   22.010   0.4182   21.800   0.5655   22.220   0.6162 -0.4245000 0.8364000 
1 1 1    5   19   15 f   9.1880   0.9288   10.300   1.0930   8.0800   1.5020 2.216000 1.858000 
1 1 1    5   19   16 o   10.680   0.7548   9.7040   1.1250   11.660   1.0070 -1.954000 1.510000 
1 1 1    5   19   17 o   13.690   0.5773   13.470   0.8276   13.920   0.8051 -0.4430000 1.155000 
1 1 1    5   19   18 f   3.7680   1.1050   2.8460   1.3570   4.6890   1.7440 -1.844000 2.210000 
1 1 1    5   19   19 o   3.4320   1.0700   2.6980   1.3050   4.1660   1.6960 -1.469000 2.140000 
1 1 1    5   19   20 o   4.7540   1.1940   5.7770   1.7450   3.7310   1.6310 2.047000 2.388000 
1 1 1    5   19   21 o   11.990   0.7089   12.560   0.9228   11.430   1.0760 1.130000 1.418000 
1 1 1    5   19   22 o   4.7840   1.2470   3.7920   1.6370   5.7760   1.8810 -1.984000 2.494000 
1 1 1    5   19   23 o   4.3670   1.2650   4.6160   1.8110   4.1180   1.7660 0.4972000 2.529000 
1 1 1    5   19   24 o   13.320   0.9735   13.260   1.3580   13.380   1.3950 -0.1221000 1.947000 
1 1 1    5   19   25 o   5.6720   1.3100   6.6160   1.8370   4.7280   1.8670 1.888000 2.620000 
1 1 1    5   19   26 o   3.9820   1.2320   4.0540   1.7400   3.9090   1.7450 0.1449000 2.465000 
1 1 1    5   19   27 o   4.5190   1.3120   4.8710   1.9150   4.1680   1.7940 0.7030000 2.624000 
1 1 1    5   19   28 o   6.1120   1.1670   8.6390   1.6330   3.5850   1.6670 5.053000 2.334000 
1 1 1    5   19   29 o   4.4340   1.4220   4.7860   2.0880   4.0830   1.9300 0.7034000 2.844000 
1 1 1    5   19   30 o   2.8130   0.9743   2.5760   1.2770   3.0500   1.4720 -0.4741000 1.949000 
1 1 1    5   19   31 o   2.3160   0.8352   2.1350   1.0930   2.4980   1.2640 -0.3636000 1.670000 
1 1 1    5   21    0 o   34.230   0.3526   34.290   0.4948   34.170   0.5024 0.1189000 0.7051000 
1 1 1    5   21    1 o   15.910   0.5646   15.870   0.7953   15.960   0.8015 -0.9894000E-01 1.129000 
1 1 1    5   21    2 o   28.720   0.3696   28.310   0.5240   29.130   0.5214 -0.8219000 0.7392000 
1 1 1    5   21    3 o   10.650   0.8276   10.440   1.1900   10.870   1.1510 -0.4266000 1.655000 
1 1 1    5   21    4 o   18.220   0.5140   17.690   0.7230   18.740   0.7308 -1.050000 1.028000 
1 1 1    5   21    5 o   36.760   0.3573   37.330   0.4933   36.200   0.5170 1.130000 0.7146000 
1 1 1    5   21    6 o   5.8900   1.3880   6.4080   1.9480   5.3710   1.9780 1.037000 2.776000 
1 1 1    5   21    7 o   6.2770   1.3650   5.3680   1.9490   7.1860   1.9130 -1.817000 2.731000 
1 1 1    5   21    8 o   10.870   0.9071   10.330   1.3220   11.420   1.2420 -1.089000 1.814000 
1 1 1    5   21    9 o   9.7140   1.2540   11.010   1.3600   8.4220   2.1070 2.584000 2.508000 
1 1 1    5   21   10 o   24.960   0.4523   24.870   0.5829   25.060   0.6917 -0.1911000 0.9045000 
1 1 1    5   21   11 o   16.350   0.5221   16.310   0.6983   16.390   0.7764 -0.7983000E-01 1.044000 
1 1 1    5   21   12 o   9.8520   0.8786   11.190   0.9609   8.5190   1.4710 2.667000 1.757000 
1 1 1    5   21   13 o   5.6510   1.2890   5.7930   1.8110   5.5090   1.8340 0.2835000 2.577000 
1 1 1    5   21   14 f   10.760   0.7615   9.8820   1.1360   11.640   1.0150 -1.762000 1.523000 
1 1 1    5   21   15 o   20.930   0.4625   20.910   0.6855   20.950   0.6211 -0.4166000E-01 0.9251000 
1 1 1    5   21   16 o   2.7610   0.9424   2.5210   1.2380   3.0000   1.4210 -0.4792000 1.885000 
1 1 1    5   21   17 o   6.7470   1.2000   6.9230   1.6760   6.5710   1.7180 0.3516000 2.400000 
1 1 1    5   21   18 o   5.7280   1.1740   7.2520   1.5990   4.2050   1.7200 3.047000 2.349000 
1 1 1    5   21   19 o   11.620   0.7625   12.730   0.9492   10.520   1.1940 2.209000 1.525000 
1 1 1    5   21   20 o   12.580   0.6943   13.070   0.9176   12.080   1.0420 0.9914000 1.389000 
1 1 1    5   21   21 o   17.660   0.5551   18.120   0.7742   17.190   0.7956 0.9278000 1.110000 
1 1 1    5   21   22 o   5.7780   1.4840   7.1400   2.1990   4.4160   1.9930 2.724000 2.968000 
1 1 1    5   21   23 o   4.2470   1.2760   4.1980   1.7840   4.2950   1.8250 -0.9670000E-01 2.552000 
1 1 1    5   21   24 o   9.9480   0.9916   9.2660   1.4330   10.630   1.3720 -1.364000 1.983000 
1 1 1    5   21   25 o   5.1150   1.3760   4.8710   1.9000   5.3590   1.9910 -0.4887000 2.752000 
1 1 1    5   21   26 o   6.2800   1.3780   6.8480   1.8900   5.7130   2.0060 1.135000 2.756000 
1 1 1    5   21   27 o   4.8450   1.5050   4.8810   2.0860   4.8090   2.1700 0.7241000E-01 3.010000 
1 1 1    5   21   28 o   2.7490   0.9726   2.7250   1.3600   2.7730   1.3900 -0.4836000E-01 1.945000 
1 1 1    5   21   29 o   2.3730   0.8435   2.6000   1.2870   2.1450   1.0900 0.4550000 1.687000 
1 1 1    5   23    0 o   12.530   0.7508   12.930   0.9688   12.130   1.1470 0.8024000 1.502000 
1 1 1    5   23    1 o   17.610   0.5522   18.090   0.7176   17.120   0.8395 0.9788000 1.104000 
1 1 1    5   23    2 o   24.170   0.4375   24.370   0.5957   23.980   0.6409 0.3869000 0.8750000 
1 1 1    5   23    3 o   21.630   0.4747   22.390   0.6301   20.870   0.7100 1.516000 0.9493000 
1 1 1    5   23    4 o   15.210   0.6547   15.260   0.8366   15.170   1.0070 0.9275000E-01 1.309000 
1 1 1    5   23    5 o   26.580   0.4342   26.970   0.5657   26.200   0.6588 0.7710000 0.8684000 
1 1 1    5   23    6 o   25.030   0.4393   25.050   0.5767   25.020   0.6628 0.2939000E-01 0.8785000 
1 1 1    5   23    7 o   24.370   0.3904   24.390   0.5327   24.340   0.5710 0.4403000E-01 0.7809000 
1 1 1    5   23    8 o   24.590   0.3880   25.090   0.5172   24.090   0.5785 0.9947000 0.7759000 
1 1 1    5   23    9 o   3.9110   1.1630   4.1380   1.6580   3.6830   1.6300 0.4554000 2.325000 
1 1 1    5   23   10 o   9.4620   0.8600   9.0400   1.1960   9.8850   1.2360 -0.8443000 1.720000 
1 1 1    5   23   11 o   10.640   0.7816   11.090   1.0070   10.180   1.1960 0.9161000 1.563000 
1 1 1    5   23   12 o   15.710   0.5286   15.550   0.7200   15.880   0.7742 -0.3245000 1.057000 
1 1 1    5   23   13 f   12.460   0.6747   13.580   0.8079   11.350   1.0810 2.231000 1.349000 
1 1 1    5   23   14 o   12.430   0.6754   12.850   0.8680   12.010   1.0350 0.8409000 1.351000 
1 1 1    5   23   15 o   4.9150   1.2540   4.0440   1.6880   5.7870   1.8550 -1.742000 2.508000 
1 1 1    5   23   16 o   10.060   0.8766   10.480   1.1540   9.6420   1.3200 0.8392000 1.753000 
1 1 1    5   23   17 o   6.5950   1.1440   4.3860   1.7710   8.8040   1.4500 -4.418000 2.289000 
1 1 1    5   23   18 o   4.0660   1.1890   4.9660   1.8430   3.1660   1.5010 1.801000 2.377000 
1 1 1    5   23   19 o   8.3750   1.2150   8.7650   1.5680   7.9860   1.8550 0.7785000 2.429000 
1 1 1    5   23   20 o   8.3850   1.5530   8.5740   2.0960   8.1960   2.2930 0.3781000 3.107000 
1 1 1    5   23   21 o   7.4880   1.2950   7.8770   1.7360   7.1000   1.9220 0.7773000 2.590000 
1 1 1    5   23   22 o   4.1970   1.2710   3.8940   1.7230   4.5000   1.8700 -0.6059000 2.543000 
1 1 1    5   23   23 o   3.2390   1.0870   3.1690   1.5180   3.3080   1.5570 -0.1389000 2.175000 
1 1 1    5   23   24 o   4.1900   1.2710   4.5430   1.8590   3.8380   1.7350 0.7046000 2.543000 
1 1 1    5   23   25 o   4.9150   1.4760   3.5550   1.7150   6.2750   2.4020 -2.721000 2.952000 
1 1 1    5   23   26 o   4.1220   1.3590   4.4660   2.0180   3.7780   1.8210 0.6882000 2.718000 
1 1 1    5   23   27 o   3.1620   1.0620   3.1610   1.4920   3.1640   1.5110 -0.2720000E-02 2.124000 
1 1 1    5   23   28 o   2.0420   0.7512   2.0780   1.0810   2.0060   1.0440 0.7229000E-01 1.502000 
1 1 1    5   25    0 o   17.200   0.4721   18.170   0.6258   16.240   0.7072 1.937000 0.9443000 
1 1 1    5   25    1 o   27.260   0.3520   27.810   0.4895   26.710   0.5058 1.108000 0.7039000 
1 1 1    5   25    2 o   23.370   0.3810   22.840   0.5391   23.910   0.5387 -1.073000 0.7621000 
1 1 1    5   25    3 o   12.910   0.6273   12.860   0.8731   12.950   0.9009 -0.8223000E-01 1.255000 
1 1 1    5   25    4 o   37.990   0.3817   37.350   0.4850   38.620   0.5897 -1.263000 0.7635000 
1 1 1    5   25    5 o   25.560   0.3856   26.110   0.5183   25.020   0.5712 1.095000 0.7713000 
1 1 1    5   25    6 o   4.6790   1.2020   3.5250   1.5540   5.8320   1.8350 -2.306000 2.405000 
1 1 1    5   25    7 o   14.590   0.6056   14.660   0.7723   14.520   0.9331 0.1372000 1.211000 
1 1 1    5   25    8 o   13.610   0.6174   13.990   0.8047   13.230   0.9366 0.7675000 1.235000 
1 1 1    5   25    9 o   13.490   0.6157   12.890   0.8693   14.090   0.8722 -1.202000 1.231000 
1 1 1    5   25   10 o   7.1670   1.1510   8.4180   1.3490   5.9170   1.8670 2.501000 2.303000 
1 1 1    5   25   11 o   11.640   0.7327   11.320   1.0020   11.960   1.0690 -0.6366000 1.465000 
1 1 1    5   25   12 o   13.470   0.6427   13.160   0.8786   13.790   0.9382 -0.6298000 1.285000 
1 1 1    5   25   13 o   6.9910   1.2050   7.5870   1.5460   6.3960   1.8500 1.191000 2.410000 
1 1 1    5   25   14 o   4.6530   1.2470   5.4170   1.8250   3.8890   1.7010 1.529000 2.495000 
1 1 1    5   25   15 o   6.8800   1.2270   7.6820   1.5570   6.0780   1.8970 1.604000 2.454000 
1 1 1    5   25   16 o   7.3530   1.3280   6.6610   1.8950   8.0460   1.8610 -1.384000 2.656000 
1 1 1    5   25   17 o   4.6260   1.4460   4.7520   2.0780   4.5010   2.0110 0.2509000 2.892000 
1 1 1    5   25   18 o   4.4300   1.4060   4.8100   2.1230   4.0500   1.8440 0.7600000 2.812000 
1 1 1    5   25   19 o   11.090   0.9310   12.040   1.1840   10.140   1.4370 1.904000 1.862000 
1 1 1    5   25   20 o   11.090   0.9592   10.210   1.4610   11.960   1.2430 -1.750000 1.918000 
1 1 1    5   25   21 o   6.9520   1.3160   8.3710   1.7160   5.5330   1.9960 2.838000 2.633000 
1 1 1    5   25   22 f   7.3910   1.3390   7.9300   1.7970   6.8520   1.9860 1.078000 2.678000 
1 1 1    5   25   23 o   3.6140   1.2360   3.0180   1.5100   4.2100   1.9570 -1.192000 2.472000 
1 1 1    5   25   24 o   3.1790   1.1170   2.6970   1.3640   3.6600   1.7700 -0.9628000 2.235000 
1 1 1    5   25   25 o   2.9330   1.0040   3.2520   1.5280   2.6130   1.3020 0.6396000 2.008000 
1 1 1    5   25   26 f   2.1200   0.7798   2.0570   1.0700   2.1830   1.1350 -0.1263000 1.560000 
1 1 1    5   27    0 o   7.9520   1.0290   8.5170   1.3420   7.3880   1.5600 1.129000 2.058000 
1 1 1    5   27    1 o   7.5730   1.0840   8.5890   1.3400   6.5570   1.7030 2.031000 2.167000 
1 1 1    5   27    2 o   37.680   0.3497   37.700   0.4935   37.650   0.4957 0.5107000E-01 0.6995000 
1 1 1    5   27    3 o   4.9920   1.2540   4.4440   1.7520   5.5400   1.7950 -1.096000 2.509000 
1 1 1    5   27    4 o   15.570   0.5689   14.980   0.7969   16.170   0.8121 -1.199000 1.138000 
1 1 1    5   27    5 o   9.6000   0.9495   10.390   1.1390   8.8060   1.5200 1.588000 1.899000 
1 1 1    5   27    6 o   10.480   0.8330   9.6630   1.2200   11.300   1.1340 -1.640000 1.666000 
1 1 1    5   27    7 o   16.240   0.5592   16.750   0.7425   15.730   0.8363 1.023000 1.118000 
1 1 1    5   27    8 f   22.830   0.4360   23.310   0.5875   22.340   0.6444 0.9720000 0.8720000 
1 1 1    5   27    9 o   5.8170   1.3150   5.9610   1.8170   5.6730   1.9020 0.2878000 2.630000 
1 1 1    5   27   10 o   15.810   0.5792   16.710   0.7492   14.910   0.8834 1.800000 1.158000 
1 1 1    5   27   11 o   5.1230   1.2860   5.9420   1.8450   4.3050   1.7920 1.636000 2.572000 
1 1 1    5   27   12 o   13.900   0.7565   14.400   1.0480   13.410   1.0910 0.9891000 1.513000 
1 1 1    5   27   13 o   7.9070   1.3190   7.6510   1.9050   8.1630   1.8230 -0.5117000 2.637000 
1 1 1    5   27   14 o   8.7220   1.5310   9.1860   2.1070   8.2590   2.2200 0.9271000 3.061000 
1 1 1    5   27   15 o   8.4550   1.3220   10.690   1.5450   6.2240   2.1460 4.462000 2.644000 
1 1 1    5   27   16 o   3.9960   1.2240   3.3450   1.5660   4.6470   1.8800 -1.302000 2.447000 
1 1 1    5   27   17 o   3.7630   1.1840   4.3360   1.8120   3.1900   1.5250 1.146000 2.368000 
1 1 1    5   27   18 o   5.1040   1.3420   5.6280   1.9050   4.5800   1.8900 1.048000 2.684000 
1 1 1    5   27   19 o   4.3740   1.2870   5.0630   1.9410   3.6850   1.6910 1.378000 2.574000 
1 1 1    5   27   20 o   6.5070   1.3950   6.1320   1.9730   6.8810   1.9740 -0.7487000 2.791000 
1 1 1    5   27   21 o   5.7370   1.5950   6.3280   2.3100   5.1470   2.2000 1.181000 3.190000 
1 1 1    5   27   22 o   3.4800   1.1810   4.4560   1.9940   2.5030   1.2680 1.953000 2.363000 
1 1 1    5   27   23 o   2.7130   0.9477   2.4600   1.2320   2.9660   1.4410 -0.5063000 1.895000 
1 1 1    5   29    0 o   3.3930   1.0920   3.5880   1.5930   3.1990   1.4940 0.3888000 2.184000 
1 1 1    5   29    1 o   4.4000   1.1940   5.4290   1.8220   3.3720   1.5420 2.057000 2.387000 
1 1 1    5   29    2 o   9.8100   0.9267   11.440   1.0620   8.1810   1.5190 3.259000 1.853000 
1 1 1    5   29    3 o   9.4750   1.0180   9.4120   1.3000   9.5370   1.5670 -0.1252000 2.036000 
1 1 1    5   29    4 o   9.2180   1.1420   9.4070   1.5470   9.0300   1.6820 0.3767000 2.285000 
1 1 1    5   29    5 o   4.2080   1.2940   4.5690   1.9040   3.8470   1.7530 0.7228000 2.588000 
1 1 1    5   29    6 o   9.4790   1.1190   9.7190   1.4950   9.2390   1.6660 0.4796000 2.239000 
1 1 1    5   29    7 o   4.0370   1.2550   3.2820   1.5670   4.7920   1.9610 -1.510000 2.511000 
1 1 1    5   29    8 o   5.5870   1.4540   5.4700   2.0340   5.7050   2.0790 -0.2358000 2.908000 
1 1 1    5   29    9 o   15.820   0.9300   16.210   1.2740   15.440   1.3550 0.7748000 1.860000 
1 1 1    5   29   10 o   10.460   1.1410   9.7210   1.7190   11.200   1.5000 -1.476000 2.282000 
1 1 1    5   29   11 o   4.3360   1.3080   5.3970   2.0830   3.2750   1.5830 2.122000 2.617000 
1 1 1    5   29   12 o   14.470   0.6790   14.520   0.9579   14.430   0.9626 0.8901000E-01 1.358000 
1 1 1    5   29   13 o   6.5130   1.2020   8.7200   1.5720   4.3060   1.8190 4.414000 2.404000 
1 1 1    5   29   14 o   9.2850   1.1180   10.200   1.3640   8.3650   1.7730 1.840000 2.237000 
1 1 1    5   29   15 o   6.3830   1.3050   7.9050   1.7440   4.8600   1.9410 3.045000 2.610000 
1 1 1    5   29   16 o   7.6980   1.2870   8.3850   1.6760   7.0120   1.9540 1.374000 2.575000 
1 1 1    5   29   17 o   6.4070   1.2890   8.9800   1.8670   3.8330   1.7790 5.147000 2.579000 
1 1 1    5   29   18 o   2.7490   0.9842   2.9780   1.4880   2.5210   1.2890 0.4565000 1.968000 
1 1 1    5   29   19 o   2.5390   0.9151   2.7300   1.3780   2.3490   1.2050 0.3808000 1.830000 
1 1 1    5   29   20 f   3.2200   1.0630   3.8530   1.6930   2.5870   1.2850 1.266000 2.126000 
1 1 1    5   31    0 f   3.9950   1.2860   3.7940   1.8010   4.1960   1.8360 -0.4029000 2.572000 
1 1 1    5   31    1 o   5.4850   1.4590   7.0120   2.3070   3.9590   1.7860 3.053000 2.918000 
1 1 1    5   31    2 o   7.3540   1.3810   10.060   1.9600   4.6460   1.9480 5.416000 2.763000 
1 1 1    5   31    3 o   5.7290   1.4180   4.3990   1.9180   7.0590   2.0890 -2.659000 2.836000 
1 1 1    5   31    4 f   6.4720   1.2620   9.1180   1.8030   3.8250   1.7660 5.294000 2.524000 
1 1 1    5   31    5 o   5.5200   1.1360   8.0020   1.7310   3.0380   1.4710 4.964000 2.272000 
1 1 1    5   31    6 o   4.7190   1.3340   4.8810   1.8960   4.5580   1.8790 0.3231000 2.669000 
1 1 1    5   31    7 o   12.170   0.8250   11.630   1.1860   12.710   1.1470 -1.078000 1.650000 
1 1 1    5   31    8 o   9.2140   1.1140   7.3730   1.8080   11.060   1.3010 -3.683000 2.227000 
1 1 1    5   31    9 o   5.4090   1.3670   5.4220   1.9210   5.3950   1.9440 0.2635000E-01 2.733000 
1 1 1    5   31   10 o   6.6670   1.3440   7.1020   1.8370   6.2320   1.9620 0.8697000 2.688000 
1 1 1    5   31   11 o   2.8230   0.9739   3.1580   1.4960   2.4880   1.2470 0.6697000 1.948000 
1 1 1    5   31   12 o   4.0010   1.2390   3.8250   1.6990   4.1760   1.8030 -0.3506000 2.477000 
1 1 1    5   31   13 o   4.1510   1.3130   3.8680   1.7760   4.4350   1.9330 -0.5669000 2.625000 
1 1 1    5   31   14 o   3.0020   1.0610   2.7840   1.4030   3.2200   1.5920 -0.4362000 2.122000 
1 1 1    5   31   15 o   3.0420   1.0680   3.3330   1.6230   2.7520   1.3910 0.5806000 2.137000 
1 1 1    5   31   16 o   2.3870   0.8576   2.0820   1.0650   2.6920   1.3440 -0.6104000 1.715000 
1 1 1    5   31   17 o   4.2760   1.2030   5.4330   1.8630   3.1200   1.5220 2.312000 2.405000 
1 1 1    5   33    0 o   5.4690   1.3050   6.6170   1.8530   4.3210   1.8370 2.296000 2.609000 
1 1 1    5   33    1 o   8.4440   1.1770   10.430   1.2640   6.4550   1.9850 3.980000 2.354000 
1 1 1    5   33    2 o   3.4960   1.1440   3.3130   1.5500   3.6790   1.6840 -0.3652000 2.288000 
1 1 1    5   33    3 o   4.3080   1.2830   4.4600   1.8300   4.1560   1.8000 0.3042000 2.567000 
1 1 1    5   33    4 o   8.1170   1.2090   10.050   1.3750   6.1880   1.9890 3.858000 2.418000 
1 1 1    5   33    5 o   4.4820   1.3770   5.1960   2.1310   3.7690   1.7450 1.427000 2.754000 
1 1 1    5   33    6 o   3.0870   1.0790   3.4300   1.6670   2.7440   1.3700 0.6860000 2.158000 
1 1 1    5   33    7 o   3.0490   1.0840   3.2590   1.6480   2.8380   1.4070 0.4207000 2.167000 
1 1 1    5   33    8 o   3.1150   1.0900   2.8930   1.4790   3.3370   1.6000 -0.4434000 2.179000 
1 1 1    5   33    9 o   2.7380   0.9837   2.7300   1.4000   2.7470   1.3820 -0.1690000E-01 1.967000 
1 1 1    5   33   10 o   2.7320   0.9766   3.2180   1.5820   2.2470   1.1450 0.9706000 1.953000 
1 1 1    5   33   11 o   3.4910   1.1580   3.0450   1.5080   3.9370   1.7580 -0.8921000 2.316000 
1 1 1    5   33   12 o   2.0660   0.7557   2.3340   1.1940   1.7990   0.9264 0.5352000 1.511000 
1 1 1    5   35    0 o   3.2460   1.0930   2.9480   1.4380   3.5440   1.6480 -0.5957000 2.187000 
1 1 1    5   35    1 o   2.4570   0.8739   2.4890   1.2490   2.4250   1.2220 0.6373000E-01 1.748000 
1 1 1    5   35    2 o   2.6990   0.9770   2.7350   1.3980   2.6630   1.3660 0.7212000E-01 1.954000 
1 1 1    6    0    0 o   86.590   0.7683   86.590   0.7683   86.590   0.7683 -0.000000 0.000000 
1 1 1    6    0    1 o   47.790   0.4268   47.790   0.4268   47.790   0.4268 0.000000 0.000000 
1 1 1    6    0    2 o   55.930   0.4989   55.930   0.4989   55.930   0.4989 -0.000000 0.000000 
1 1 1    6    0    3 o   41.290   0.3748   41.290   0.3748   41.290   0.3748 0.000000 0.000000 
1 1 1    6    0    4 o  157.000   1.9750  157.000   1.9750  157.000   1.9750 0.000000 0.000000 
1 1 1    6    0    5 o   60.070   0.5394   60.070   0.5394   60.070   0.5394 -0.000000 0.000000 
1 1 1    6    0    6 o   89.650   0.7989   89.650   0.7989   89.650   0.7989 0.000000 0.000000 
1 1 1    6    0    7 o   43.800   0.4061   43.800   0.4061   43.800   0.4061 0.000000 0.000000 
1 1 1    6    0    8 o   31.050   0.3648   31.050   0.3648   31.050   0.3648 -0.000000 0.000000 
1 1 1    6    0    9 o   28.080   0.4386   28.080   0.4386   28.080   0.4386 -0.000000 0.000000 
1 1 1    6    0   10 f   59.140   0.5394   59.140   0.5394   59.140   0.5394 -0.000000 0.000000 
1 1 1    6    0   11 o   64.080   0.5830   64.080   0.5830   64.080   0.5830 0.000000 0.000000 
1 1 1    6    0   12 o   5.8630   0.9776   5.8630   0.9776   5.8630   0.9776 0.000000 0.000000 
1 1 1    6    0   13 o   51.430   0.4851   51.430   0.4851   51.430   0.4851 0.000000 0.000000 
1 1 1    6    0   14 o   10.810   0.6068   10.810   0.6068   10.810   0.6068 0.000000 0.000000 
1 1 1    6    0   15 o   24.050   0.3961   24.050   0.3961   24.050   0.3961 0.000000 0.000000 
1 1 1    6    0   16 o   78.190   0.7139   78.190   0.7139   78.190   0.7139 0.000000 0.000000 
1 1 1    6    0   17 o   66.750   0.6223   66.750   0.6223   66.750   0.6223 0.000000 0.000000 
1 1 1    6    0   18 o   43.600   0.6596   43.600   0.6596   43.600   0.6596 0.000000 0.000000 
1 1 1    6    0   19 o   53.770   0.5406   53.770   0.5406   53.770   0.5406 -0.000000 0.000000 
1 1 1    6    0   20 o   8.8780   1.3010   8.8780   1.3010   8.8780   1.3010 0.000000 0.000000 
1 1 1    6    0   21 o   11.280   0.9860   11.280   0.9860   11.280   0.9860 0.000000 0.000000 
1 1 1    6    0   22 o   25.780   0.5157   25.780   0.5157   25.780   0.5157 0.000000 0.000000 
1 1 1    6    0   23 o   20.490   0.8490   20.490   0.8490   20.490   0.8490 -0.000000 0.000000 
1 1 1    6    0   25 o   40.280   0.4738   40.280   0.4738   40.280   0.4738 -0.000000 0.000000 
1 1 1    6    0   26 o   6.5610   1.7780   6.5610   1.7780   6.5610   1.7780 0.000000 0.000000 
1 1 1    6    0   27 o   8.3810   1.2430   8.3810   1.2430   8.3810   1.2430 -0.000000 0.000000 
1 1 1    6    0   28 o   18.260   0.5910   18.260   0.5910   18.260   0.5910 -0.000000 0.000000 
1 1 1    6    0   29 o   2.3330   1.5720   2.3330   1.5720   2.3330   1.5720 0.000000 0.000000 
1 1 1    6    0   30 o   5.0280   2.4560   5.0280   2.4560   5.0280   2.4560 0.000000 0.000000 
1 1 1    6    0   31 o   4.2980   2.4240   4.2980   2.4240   4.2980   2.4240 0.000000 0.000000 
1 1 1    6    0   32 o   18.900   0.7113   18.900   0.7113   18.900   0.7113 0.000000 0.000000 
1 1 1    6    0   33 o   20.110   0.8352   20.110   0.8352   20.110   0.8352 -0.000000 0.000000 
1 1 1    6    0   34 o   5.2990   2.4070   5.2990   2.4070   5.2990   2.4070 0.000000 0.000000 
1 1 1    6    0   35 o   2.6050   1.8520   2.6050   1.8520   2.6050   1.8520 0.000000 0.000000 
1 1 1    6    0   36 o   1.8060   1.3130   1.8060   1.3130   1.8060   1.3130 0.000000 0.000000 
1 1 1    6    2    0 o   46.600   0.3183   47.250   0.4237   45.950   0.4752 1.304000 0.6367000 
1 1 1    6    2    1 o   46.360   0.2947   46.260   0.4160   46.450   0.4175 -0.1868000 0.5894000 
1 1 1    6    2    2 o   60.660   0.4426   61.150   0.6304   60.170   0.6215 0.9758000 0.8853000 
1 1 1    6    2    3 o   56.290   0.7164   56.290   0.7164  ?   ?       ?      ? 
1 1 1    6    2    4 o   15.180   0.2577   15.790   0.3478   14.580   0.3804 1.218000 0.5155000 
1 1 1    6    2    5 f   51.530   0.3307   51.880   0.4707   51.190   0.4648 0.6944000 0.6615000 
1 1 1    6    2    6 o  111.000   0.7542  112.000   0.9966  110.000   1.1320 1.948000 1.508000 
1 1 1    6    2    7 o   96.330   0.6076   95.790   0.8546   96.860   0.8640 -1.072000 1.215000 
1 1 1    6    2    8 o   36.810   0.2536   37.070   0.3605   36.550   0.3568 0.5280000 0.5072000 
1 1 1    6    2    9 o   13.360   0.3689   13.300   0.5099   13.420   0.5333 -0.1244000 0.7378000 
1 1 1    6    2   10 o   25.060   0.2190   24.950   0.3098   25.160   0.3097 -0.2072000 0.4380000 
1 1 1    6    2   11 o   61.780   0.3993   61.600   0.5622   61.960   0.5673 -0.3552000 0.7987000 
1 1 1    6    2   12 o   55.930   0.3667   55.920   0.5181   55.940   0.5191 -0.2346000E-01 0.7334000 
1 1 1    6    2   13 f   13.870   0.3248   13.320   0.4694   14.430   0.4490 -1.108000 0.6496000 
1 1 1    6    2   14 o   10.580   0.4337   9.9980   0.6375   11.170   0.5881 -1.171000 0.8674000 
1 1 1    6    2   15 o   12.340   0.4309   11.820   0.6224   12.850   0.5960 -1.030000 0.8618000 
1 1 1    6    2   16 o   36.070   0.2928   35.900   0.4131   36.240   0.4150 -0.3413000 0.5856000 
1 1 1    6    2   17 o   29.450   0.2998   29.480   0.4140   29.420   0.4338 0.6491000E-01 0.5996000 
1 1 1    6    2   18 o   35.860   0.4339   35.530   0.6092   36.190   0.6179 -0.6562000 0.8677000 
1 1 1    6    2   19 o   57.870   0.4021   57.610   0.5670   58.140   0.5701 -0.5375000 0.8041000 
1 1 1    6    2   20 o   35.360   0.3722   36.010   0.4718   34.700   0.5758 1.311000 0.7445000 
1 1 1    6    2   21 o   46.280   0.3556   46.330   0.5005   46.240   0.5053 0.9655000E-01 0.7112000 
1 1 1    6    2   22 o   26.370   0.4178   26.350   0.6022   26.390   0.5793 -0.4544000E-01 0.8356000 
1 1 1    6    2   23 o   14.060   0.8339   15.210   1.0750   12.900   1.2750 2.308000 1.668000 
1 1 1    6    2   24 o   12.440   0.5770   12.600   0.8126   12.270   0.8194 0.3339000 1.154000 
1 1 1    6    2   25 o   14.970   0.4971   15.320   0.6756   14.620   0.7294 0.6909000 0.9943000 
1 1 1    6    2   26 o   7.0910   0.9994   5.9030   1.5750   8.2790   1.2310 -2.376000 1.999000 
1 1 1    6    2   27 o   10.710   0.6776   10.380   0.9825   11.050   0.9335 -0.6693000 1.355000 
1 1 1    6    2   28 o   10.960   0.6733   10.540   0.9876   11.370   0.9153 -0.8319000 1.347000 
1 1 1    6    2   29 o   4.3280   1.1910   4.4180   1.6840   4.2370   1.6860 0.1807000 2.383000 
1 1 1    6    2   30 o   3.5700   1.1740   3.3410   1.5960   3.8000   1.7210 -0.4592000 2.348000 
1 1 1    6    2   31 o   3.8350   1.2470   3.8330   1.7580   3.8370   1.7680 -0.3808000E-02 2.493000 
1 1 1    6    2   32 o   5.9020   1.3000   4.9080   1.8210   6.8950   1.8550 -1.988000 2.600000 
1 1 1    6    2   33 o   3.2430   1.0830   2.7480   1.3550   3.7380   1.6890 -0.9900000 2.166000 
1 1 1    6    2   34 f   4.4760   1.4400   3.5570   1.7320   5.3960   2.3000 -1.839000 2.879000 
1 1 1    6    2   35 o   3.1290   1.1070   2.9440   1.4820   3.3130   1.6450 -0.3689000 2.214000 
1 1 1    6    2   36 o   2.7280   0.9513   2.9170   1.4210   2.5400   1.2660 0.3765000 1.903000 
1 1 1    6    4    0 o   78.190   0.5693   77.710   0.8003   78.670   0.8100 -0.9590000 1.139000 
1 1 1    6    4    1 o   46.280   0.3830   46.640   0.4903   45.930   0.5885 0.7133000 0.7660000 
1 1 1    6    4    2 o  116.600   0.8477  117.800   1.2110  115.400   1.1860 2.387000 1.695000 
1 1 1    6    4    3 o   12.740   0.2581   12.590   0.3724   12.900   0.3574 -0.3119000 0.5162000 
1 1 1    6    4    4 o  104.300   0.6566  104.900   0.9341  103.700   0.9230 1.232000 1.313000 
1 1 1    6    4    5 o   58.170   0.3732   58.500   0.5304   57.850   0.5251 0.6538000 0.7464000 
1 1 1    6    4    6 o  141.100   0.8878  141.000   1.2540  141.200   1.2570 -0.2702000 1.776000 
1 1 1    6    4    7 o   55.140   0.3574   55.320   0.5071   54.950   0.5037 0.3644000 0.7148000 
1 1 1    6    4    8 f   57.000   0.5226   57.130   0.7415   56.870   0.7366 0.2543000 1.045000 
1 1 1    6    4    9 o   48.100   0.3690   48.350   0.5233   47.850   0.5205 0.5016000 0.7381000 
1 1 1    6    4   10 o   38.860   0.2729   38.780   0.3850   38.940   0.3870 -0.1604000 0.5458000 
1 1 1    6    4   11 o   48.320   0.3242   48.280   0.4572   48.360   0.4597 -0.7447000E-01 0.6483000 
1 1 1    6    4   12 o   14.620   0.3056   14.550   0.4174   14.690   0.4466 -0.1337000 0.6113000 
1 1 1    6    4   13 o   37.610   0.2791   37.430   0.3916   37.790   0.3979 -0.3573000 0.5583000 
1 1 1    6    4   14 o   27.270   0.2647   27.550   0.3741   26.990   0.3746 0.5580000 0.5294000 
1 1 1    6    4   15 o   40.310   0.3036   40.490   0.4296   40.130   0.4291 0.3685000 0.6072000 
1 1 1    6    4   16 o   29.210   0.2891   29.240   0.3988   29.190   0.4187 0.4591000E-01 0.5783000 
1 1 1    6    4   17 o   14.030   0.6419   13.870   0.8948   14.200   0.9206 -0.3276000 1.284000 
1 1 1    6    4   18 o   19.730   0.5316   19.310   0.7425   20.150   0.7611 -0.8385000 1.063000 
1 1 1    6    4   19 o   27.200   0.3516   27.410   0.4804   26.990   0.5136 0.4173000 0.7033000 
1 1 1    6    4   20 o   43.250   0.3470   43.170   0.4872   43.330   0.4941 -0.1623000 0.6939000 
1 1 1    6    4   21 o   33.950   0.3324   33.640   0.4667   34.260   0.4735 -0.6194000 0.6649000 
1 1 1    6    4   22 o   5.5540   1.4620   6.2670   2.1090   4.8420   2.0260 1.425000 2.925000 
1 1 1    6    4   23 o   7.4170   1.2180   7.8570   1.5480   6.9770   1.8810 0.8799000 2.436000 
1 1 1    6    4   24 o   9.3800   0.9156   10.930   0.8782   7.8270   1.6070 3.106000 1.831000 
1 1 1    6    4   25 o   8.1890   0.8482   8.1790   1.1510   8.2000   1.2460 -0.2126000E-01 1.696000 
1 1 1    6    4   26 o   18.560   0.4023   19.040   0.5433   18.080   0.5935 0.9621000 0.8046000 
1 1 1    6    4   27 o   3.9410   1.1030   4.5330   1.6260   3.3500   1.4910 1.183000 2.206000 
1 1 1    6    4   28 o   3.7610   1.1180   3.9230   1.6030   3.6000   1.5580 0.3235000 2.236000 
1 1 1    6    4   29 o   14.360   0.5446   14.370   0.7184   14.350   0.8186 0.1239000E-01 1.089000 
1 1 1    6    4   30 o   8.5760   1.2590   8.4020   1.7790   8.7500   1.7820 -0.3484000 2.518000 
1 1 1    6    4   31 o   7.3080   1.1830   7.0390   1.6790   7.5770   1.6670 -0.5387000 2.366000 
1 1 1    6    4   32 f   7.9400   1.1840   8.6160   1.5010   7.2650   1.8310 1.352000 2.368000 
1 1 1    6    4   33 o   4.2590   1.2730   4.3300   1.8030   4.1880   1.7980 0.1416000 2.546000 
1 1 1    6    4   34 o   3.6150   1.2370   4.2720   1.9700   2.9590   1.4980 1.313000 2.475000 
1 1 1    6    4   35 o   3.7710   1.2060   3.8380   1.7100   3.7050   1.7000 0.1337000 2.411000 
1 1 1    6    4   36 o   2.7520   0.9593   2.5260   1.2640   2.9770   1.4440 -0.4504000 1.919000 
1 1 1    6    6    0 o  101.700   0.6406  101.500   0.9041  101.900   0.9077 -0.4145000 1.281000 
1 1 1    6    6    1 o   49.090   0.3454   49.080   0.5218   49.100   0.4527 -0.2813000E-01 0.6908000 
1 1 1    6    6    2 o   39.510   0.2878   39.860   0.3803   39.160   0.4321 0.7000000 0.5756000 
1 1 1    6    6    3 o   43.280   0.2897   43.520   0.4114   43.030   0.4080 0.4859000 0.5794000 
1 1 1    6    6    4 o  132.200   0.8321  132.400   1.1780  132.000   1.1750 0.3550000 1.664000 
1 1 1    6    6    5 f   47.290   0.3134   47.500   0.4447   47.070   0.4418 0.4378000 0.6269000 
1 1 1    6    6    6 o   73.210   0.5394   73.540   0.7661   72.870   0.7595 0.6675000 1.079000 
1 1 1    6    6    7 o   70.660   0.6414   71.210   0.9139   70.110   0.9001 1.101000 1.283000 
1 1 1    6    6    8 f   24.540   0.2664   24.470   0.3754   24.620   0.3780 -0.1452000 0.5328000 
1 1 1    6    6    9 o   55.320   0.3638   55.250   0.5137   55.390   0.5153 -0.1454000 0.7276000 
1 1 1    6    6   10 o   13.380   0.3196   13.890   0.4312   12.860   0.4718 1.024000 0.6392000 
1 1 1    6    6   11 o   22.850   0.2714   23.150   0.4056   22.540   0.3609 0.6174000 0.5429000 
1 1 1    6    6   12 o   38.530   0.2855   38.620   0.4046   38.430   0.4029 0.1909000 0.5709000 
1 1 1    6    6   13 o   23.120   0.2717   23.250   0.3810   22.990   0.3874 0.2608000 0.5434000 
1 1 1    6    6   14 o   36.650   0.2896   36.790   0.4081   36.510   0.4109 0.2825000 0.5791000 
1 1 1    6    6   15 f   27.240   0.2922   27.040   0.4092   27.450   0.4172 -0.4087000 0.5844000 
1 1 1    6    6   16 o   21.270   0.4248   23.060   0.5036   19.480   0.6841 3.578000 0.8495000 
1 1 1    6    6   17 o   5.5520   1.3570   6.0610   1.9150   5.0430   1.9250 1.018000 2.715000 
1 1 1    6    6   18 o   29.480   0.3413   29.130   0.4716   29.830   0.4935 -0.6988000 0.6826000 
1 1 1    6    6   19 o   24.710   0.3766   25.240   0.5188   24.190   0.5459 1.050000 0.7531000 
1 1 1    6    6   20 o   26.770   0.3565   26.530   0.4904   27.010   0.5175 -0.4860000 0.7130000 
1 1 1    6    6   21 o   4.1340   1.1700   3.3670   1.5070   4.9010   1.7910 -1.534000 2.341000 
1 1 1    6    6   22 o   34.740   0.4799   35.050   0.6753   34.420   0.6820 0.6275000 0.9598000 
1 1 1    6    6   23 o   19.570   0.4074   19.450   0.5557   19.690   0.5960 -0.2437000 0.8149000 
1 1 1    6    6   24 o   13.760   0.5370   14.420   0.6974   13.100   0.8168 1.318000 1.074000 
1 1 1    6    6   25 o   13.680   0.5231   13.650   0.6967   13.710   0.7804 -0.6590000E-01 1.046000 
1 1 1    6    6   26 f   13.910   0.5297   13.240   0.7551   14.590   0.7431 -1.352000 1.059000 
1 1 1    6    6   27 o   8.7680   0.8766   7.4770   1.3800   10.060   1.0820 -2.583000 1.753000 
1 1 1    6    6   28 o   8.6380   0.9317   7.1040   1.5020   10.170   1.1030 -3.068000 1.863000 
1 1 1    6    6   29 o   17.890   0.5069   18.050   0.7304   17.740   0.7031 0.3081000 1.014000 
1 1 1    6    6   30 o   4.8220   1.4070   4.8340   1.9720   4.8100   2.0070 0.2410000E-01 2.813000 
1 1 1    6    6   31 o   4.8500   1.2720   4.3330   1.7320   5.3680   1.8630 -1.035000 2.544000 
1 1 1    6    6   32 o   6.2970   1.3340   6.2640   1.8420   6.3310   1.9310 -0.6714000E-01 2.668000 
1 1 1    6    6   33 o   3.3400   1.1030   3.4770   1.5940   3.2020   1.5240 0.2750000 2.205000 
1 1 1    6    6   34 o   3.4710   1.1970   3.6470   1.7420   3.2960   1.6420 0.3512000 2.394000 
1 1 1    6    6   35 o   5.4390   1.3450   6.4080   1.9580   4.4710   1.8460 1.937000 2.691000 
1 1 1    6    6   36 o   3.6120   1.1600   3.3280   1.5610   3.8960   1.7170 -0.5673000 2.320000 
1 1 1    6    8    0 o   49.670   0.3278   49.570   0.4629   49.780   0.4643 -0.2081000 0.6556000 
1 1 1    6    8    1 o   21.730   0.2291   21.700   0.3226   21.770   0.3253 -0.7746000E-01 0.4581000 
1 1 1    6    8    2 o   23.340   0.2594   22.820   0.3652   23.850   0.3685 -1.024000 0.5188000 
1 1 1    6    8    3 o   64.090   0.4768   64.240   0.6755   63.930   0.6732 0.3135000 0.9537000 
1 1 1    6    8    4 o   47.840   0.3696   48.300   0.5269   47.380   0.5185 0.9164000 0.7392000 
1 1 1    6    8    5 o   61.670   0.5667   61.700   0.8015   61.650   0.8014 0.4612000E-01 1.133000 
1 1 1    6    8    6 o   46.240   0.3637   46.240   0.5131   46.240   0.5157 0.2785000E-02 0.7275000 
1 1 1    6    8    7 f   4.8380   0.8189   5.8170   1.0210   3.8590   1.2810 1.958000 1.638000 
1 1 1    6    8    8 o   44.120   0.3062   44.400   0.4342   43.840   0.4317 0.5671000 0.6123000 
1 1 1    6    8    9 o   36.620   0.2746   36.580   0.3872   36.660   0.3893 -0.7937000E-01 0.5491000 
1 1 1    6    8   10 o   9.1030   0.5209   9.6890   0.6692   8.5170   0.7984 1.172000 1.042000 
1 1 1    6    8   11 o   43.750   0.3113   43.890   0.4405   43.610   0.4399 0.2775000 0.6225000 
1 1 1    6    8   12 o   14.070   0.3859   14.050   0.5389   14.090   0.5524 -0.3734000E-01 0.7717000 
1 1 1    6    8   13 o   27.330   0.2871   27.310   0.4043   27.360   0.4076 -0.5083000E-01 0.5741000 
1 1 1    6    8   14 o   10.500   0.6116   11.940   0.7095   9.0580   0.9963 2.878000 1.223000 
1 1 1    6    8   15 f   17.330   0.4129   17.260   0.5709   17.400   0.5966 -0.1432000 0.8257000 
1 1 1    6    8   16 o   35.750   0.4405   35.450   0.6167   36.060   0.6291 -0.6166000 0.8810000 
1 1 1    6    8   17 o   28.590   0.3461   28.580   0.4791   28.600   0.4998 -0.2422000E-01 0.6923000 
1 1 1    6    8   18 o   11.340   0.7150   11.120   0.9986   11.560   1.0240 -0.4404000 1.430000 
1 1 1    6    8   19 f   52.690   0.3836   52.590   0.5361   52.790   0.5489 -0.1992000 0.7672000 
1 1 1    6    8   20 o   11.110   0.7291   11.710   0.9194   10.510   1.1320 1.193000 1.458000 
1 1 1    6    8   21 o   3.6780   1.2020   4.1870   1.8390   3.1680   1.5490 1.018000 2.404000 
1 1 1    6    8   22 o   18.270   0.4543   17.920   0.6167   18.620   0.6672 -0.7057000 0.9085000 
1 1 1    6    8   23 o   16.340   0.4734   16.520   0.6423   16.160   0.6957 0.3600000 0.9469000 
1 1 1    6    8   24 o   13.770   0.5292   13.730   0.7103   13.810   0.7848 -0.7812000E-01 1.058000 
1 1 1    6    8   25 o   17.790   0.4356   17.840   0.6030   17.740   0.6287 0.9862000E-01 0.8712000 
1 1 1    6    8   26 o   2.5560   0.8775   2.5830   1.2430   2.5290   1.2380 0.5368000E-01 1.755000 
1 1 1    6    8   27 o   14.190   0.5501   14.790   0.7290   13.590   0.8240 1.196000 1.100000 
1 1 1    6    8   28 o   3.1470   1.0180   2.3690   1.1730   3.9250   1.6640 -1.556000 2.036000 
1 1 1    6    8   29 o   18.720   0.9258  ?   ?    18.720   0.9258      ?      ? 
1 1 1    6    8   30 f   3.5020   1.1100   2.6740   1.3230   4.3310   1.7820 -1.657000 2.220000 
1 1 1    6    8   31 o   4.1730   1.2460   4.0880   1.7360   4.2580   1.7880 -0.1697000 2.492000 
1 1 1    6    8   32 o   10.140   0.9744   10.970   1.2260   9.3010   1.5150 1.670000 1.949000 
1 1 1    6    8   33 o   4.4090   1.3110   4.5680   1.8530   4.2490   1.8560 0.3196000 2.623000 
1 1 1    6    8   34 o   3.4480   1.1950   3.5800   1.7270   3.3150   1.6500 0.2653000 2.389000 
1 1 1    6    8   35 o   2.7990   0.9711   2.4630   1.2380   3.1350   1.4970 -0.6722000 1.942000 
1 1 1    6   10    0 o   39.910   0.3272   40.180   0.4645   39.650   0.4611 0.5299000 0.6545000 
1 1 1    6   10    1 o   49.560   0.3839   50.020   0.5461   49.100   0.5398 0.9193000 0.7678000 
1 1 1    6   10    2 o   25.670   0.2866   25.440   0.4031   25.900   0.4075 -0.4543000 0.5732000 
1 1 1    6   10    3 o   63.830   0.4798   63.290   0.6721   64.370   0.6850 -1.081000 0.9597000 
1 1 1    6   10    4 o   54.460   0.3619   54.290   0.5092   54.620   0.5144 -0.3314000 0.7238000 
1 1 1    6   10    5 o   35.220   0.2723   35.110   0.3837   35.320   0.3864 -0.2069000 0.5445000 
1 1 1    6   10    6 o   25.790   0.2601   25.390   0.3661   26.190   0.3694 -0.8052000 0.5201000 
1 1 1    6   10    7 o   35.230   0.2767   35.470   0.3909   34.990   0.3918 0.4796000 0.5535000 
1 1 1    6   10    8 o   51.650   0.3519   51.710   0.4974   51.590   0.4980 0.1194000 0.7039000 
1 1 1    6   10    9 o   52.420   0.3569   52.750   0.5069   52.080   0.5025 0.6758000 0.7138000 
1 1 1    6   10   10 f   52.080   0.3570   52.300   0.5057   51.870   0.5042 0.4367000 0.7141000 
1 1 1    6   10   11 o   79.990   0.5165   80.150   0.7315   79.840   0.7293 0.3113000 1.033000 
1 1 1    6   10   12 o   88.010   0.5660   87.930   0.7996   88.090   0.8013 -0.1558000 1.132000 
1 1 1    6   10   13 o   44.390   0.3343   44.540   0.4719   44.240   0.4735 0.2984000 0.6685000 
1 1 1    6   10   14 o   50.670   0.4159   50.900   0.5838   50.430   0.5925 0.4751000 0.8318000 
1 1 1    6   10   15 o   51.210   0.5205   50.960   0.7315   51.470   0.7406 -0.5072000 1.041000 
1 1 1    6   10   16 o   26.380   0.3614   26.190   0.5063   26.570   0.5157 -0.3790000 0.7227000 
1 1 1    6   10   17 o   36.220   0.3407   35.900   0.4744   36.540   0.4892 -0.6470000 0.6815000 
1 1 1    6   10   18 o   6.9080   1.1330   8.2420   1.3450   5.5730   1.8240 2.669000 2.266000 
1 1 1    6   10   19 o   11.370   0.6917   10.780   0.9813   11.960   0.9752 -1.177000 1.383000 
1 1 1    6   10   20 o   7.9300   1.3850   9.3330   1.6660   6.5260   2.2120 2.807000 2.769000 
1 1 1    6   10   21 o   12.000   0.7727   11.640   1.0350   12.350   1.1470 -0.7056000 1.545000 
1 1 1    6   10   22 o   13.400   0.5549   13.530   0.7429   13.270   0.8245 0.2606000 1.110000 
1 1 1    6   10   23 o   18.920   0.4146   18.560   0.5798   19.290   0.5927 -0.7336000 0.8291000 
1 1 1    6   10   24 o   11.080   0.6591   11.510   0.8391   10.660   1.0170 0.8518000 1.318000 
1 1 1    6   10   25 o   4.8750   1.1580   5.7760   1.6360   3.9730   1.6400 1.803000 2.316000 
1 1 1    6   10   26 o   11.120   0.6884   10.900   0.9680   11.330   0.9789 -0.4330000 1.377000 
1 1 1    6   10   27 o   17.710   0.4702   18.420   0.6175   17.010   0.7093 1.418000 0.9404000 
1 1 1    6   10   28 o   3.9140   1.1570   3.2950   1.4920   4.5330   1.7690 -1.238000 2.314000 
1 1 1    6   10   29 o   4.5020   1.2960   2.8360   1.4120   6.1680   2.1750 -3.332000 2.593000 
1 1 1    6   10   30 o   6.6710   1.1940   8.4350   1.4800   4.9070   1.8740 3.528000 2.388000 
1 1 1    6   10   31 o   6.0140   1.3290   4.9530   1.9030   7.0750   1.8550 -2.122000 2.658000 
1 1 1    6   10   32 o   3.0340   1.0380   2.8890   1.4040   3.1800   1.5290 -0.2909000 2.076000 
1 1 1    6   10   33 f   3.6210   1.2480   3.1480   1.5580   4.0950   1.9500 -0.9470000 2.496000 
1 1 1    6   10   34 o   3.3740   1.1190   3.1440   1.5100   3.6050   1.6510 -0.4610000 2.237000 
1 1 1    6   10   35 o   2.4260   0.8638   2.6780   1.3260   2.1740   1.1070 0.5045000 1.728000 
1 1 1    6   12    0 o   23.410   0.2687   23.480   0.3807   23.350   0.3793 0.1339000 0.5374000 
1 1 1    6   12    1 o   61.870   0.4050   61.860   0.5724   61.890   0.5732 -0.3350000E-01 0.8100000 
1 1 1    6   12    2 o   46.590   0.3236   46.650   0.4582   46.540   0.4572 0.1126000 0.6473000 
1 1 1    6   12    3 o   27.010   0.2715   27.060   0.3837   26.960   0.3843 0.1072000 0.5431000 
1 1 1    6   12    4 o   51.390   0.3508   51.690   0.4977   51.090   0.4946 0.6007000 0.7016000 
1 1 1    6   12    5 o   49.120   0.3400   48.920   0.4784   49.330   0.4833 -0.4113000 0.6800000 
1 1 1    6   12    6 o   34.240   0.2856   34.380   0.4042   34.090   0.4036 0.2818000 0.5712000 
1 1 1    6   12    7 o   53.710   0.3677   54.230   0.5240   53.190   0.5160 1.045000 0.7355000 
1 1 1    6   12    8 o   11.750   0.5136   12.100   0.7005   11.400   0.7512 0.7073000 1.027000 
1 1 1    6   12    9 o   40.570   0.3159   40.640   0.4462   40.500   0.4473 0.1457000 0.6318000 
1 1 1    6   12   10 o   46.590   0.3423   47.240   0.4859   45.940   0.4824 1.296000 0.6847000 
1 1 1    6   12   11 o   43.180   0.3635   42.500   0.4682   43.860   0.5563 -1.358000 0.7271000 
1 1 1    6   12   12 f   12.830   0.6285   12.480   0.8904   13.170   0.8873 -0.6900000 1.257000 
1 1 1    6   12   13 o   22.610   0.5205   23.400   0.7467   21.820   0.7253 1.589000 1.041000 
1 1 1    6   12   14 o   18.130   0.5810   17.560   0.8439   18.700   0.7987 -1.143000 1.162000 
1 1 1    6   12   15 o   32.640   0.3471   32.790   0.4852   32.490   0.4966 0.2957000 0.6943000 
1 1 1    6   12   16 o   11.220   0.7354   10.780   1.0370   11.660   1.0430 -0.8847000 1.471000 
1 1 1    6   12   17 o   21.410   0.4249   21.500   0.5731   21.330   0.6275 0.1739000 0.8498000 
1 1 1    6   12   18 o   11.860   0.6817   11.420   0.9597   12.310   0.9683 -0.8973000 1.363000 
1 1 1    6   12   19 o   22.640   0.5846   23.140   0.7641   22.150   0.8849 0.9926000 1.169000 
1 1 1    6   12   20 o   6.9970   1.2530   6.2710   1.7400   7.7240   1.8050 -1.452000 2.507000 
1 1 1    6   12   21 o   3.2210   1.0080   2.3000   1.1420   4.1420   1.6620 -1.842000 2.016000 
1 1 1    6   12   22 o   6.6630   1.0870   7.5160   1.3570   5.8110   1.6990 1.705000 2.174000 
1 1 1    6   12   23 o   13.040   0.5559   12.950   0.7447   13.130   0.8256 -0.1759000 1.112000 
1 1 1    6   12   24 o   6.5670   1.0810   7.8660   1.2850   5.2690   1.7400 2.596000 2.163000 
1 1 1    6   12   25 o   10.090   0.7328   10.090   0.9848   10.100   1.0860 -0.1122000E-01 1.466000 
1 1 1    6   12   26 o   7.2390   1.0890   7.4500   1.4090   7.0290   1.6620 0.4203000 2.179000 
1 1 1    6   12   27 o   3.9880   1.1930   3.5050   1.5450   4.4700   1.8190 -0.9648000 2.387000 
1 1 1    6   12   28 o   3.5360   1.1850   3.6080   1.6950   3.4640   1.6570 0.1434000 2.370000 
1 1 1    6   12   29 o   4.7820   1.1550   6.2910   1.7170   3.2740   1.5440 3.016000 2.309000 
1 1 1    6   12   30 o   8.6380   1.1600   10.690   1.2470   6.5820   1.9570 4.111000 2.321000 
1 1 1    6   12   31 o   4.2900   1.2630   4.8740   1.8820   3.7050   1.6840 1.169000 2.526000 
1 1 1    6   12   32 o   4.2480   1.3930   3.7510   1.7930   4.7450   2.1330 -0.9936000 2.787000 
1 1 1    6   12   33 o   3.8500   1.2230   3.8860   1.7290   3.8150   1.7300 0.7101000E-01 2.446000 
1 1 1    6   12   34 o   2.5180   0.8900   2.3560   1.1910   2.6800   1.3230 -0.3245000 1.780000 
1 1 1    6   14    0 o   29.280   0.3085   29.780   0.4039   28.780   0.4666 0.9937000 0.6171000 
1 1 1    6   14    1 o   63.070   0.4170   63.340   0.5919   62.800   0.5875 0.5382000 0.8340000 
1 1 1    6   14    2 o   39.630   0.3064   39.800   0.4324   39.470   0.4343 0.3217000 0.6129000 
1 1 1    6   14    3 o   31.060   0.3158   31.600   0.4137   30.520   0.4772 1.084000 0.6315000 
1 1 1    6   14    4 o  110.900   0.7059  110.400   0.9938  111.400   1.0030 -0.9598000 1.412000 
1 1 1    6   14    5 o   68.700   0.4527   68.960   0.6410   68.440   0.6394 0.5231000 0.9054000 
1 1 1    6   14    6 o   23.940   0.3341   25.280   0.4494   22.590   0.4946 2.692000 0.6683000 
1 1 1    6   14    7 o   36.720   0.3177   36.960   0.4475   36.480   0.4512 0.4846000 0.6355000 
1 1 1    6   14    8 o   10.630   0.6786   10.690   0.9471   10.580   0.9723 0.1125000 1.357000 
1 1 1    6   14    9 o   11.780   0.6364   11.200   0.9383   12.360   0.8599 -1.160000 1.273000 
1 1 1    6   14   10 o   24.840   0.3996   24.890   0.5644   24.790   0.5657 0.1024000 0.7991000 
1 1 1    6   14   11 o   9.1370   1.2420   10.290   1.6220   7.9840   1.8810 2.304000 2.484000 
1 1 1    6   14   12 o   55.990   0.4701   55.980   0.6693   56.000   0.6603 -0.2070000E-01 0.9402000 
1 1 1    6   14   13 o   41.010   0.3563   41.290   0.5034   40.730   0.5044 0.5563000 0.7126000 
1 1 1    6   14   14 o   25.580   0.3888   25.140   0.5374   26.010   0.5621 -0.8716000 0.7777000 
1 1 1    6   14   15 o   21.630   0.4389   20.630   0.6172   22.630   0.6242 -2.004000 0.8778000 
1 1 1    6   14   16 o   27.830   0.3679   27.410   0.5057   28.250   0.5345 -0.8427000 0.7358000 
1 1 1    6   14   17 o   22.540   0.4604   22.630   0.6522   22.450   0.6500 0.1776000 0.9208000 
1 1 1    6   14   18 f   4.5570   1.3820   4.6540   1.9400   4.4610   1.9700 0.1929000 2.764000 
1 1 1    6   14   19 o   15.390   0.5197   16.090   0.6834   14.690   0.7831 1.396000 1.039000 
1 1 1    6   14   20 o   14.750   0.5320   14.850   0.7146   14.640   0.7882 0.2090000 1.064000 
1 1 1    6   14   21 o   5.3610   1.1950   5.8430   1.6230   4.8800   1.7550 0.9632000 2.390000 
1 1 1    6   14   22 o   6.9490   1.0680   7.7580   1.2980   6.1410   1.6980 1.618000 2.137000 
1 1 1    6   14   23 o   20.380   0.4069   19.840   0.5588   20.930   0.5916 -1.091000 0.8138000 
1 1 1    6   14   24 o   5.7910   1.1310   7.1260   1.4640   4.4550   1.7250 2.671000 2.262000 
1 1 1    6   14   25 o   2.4280   0.8490   2.5220   1.2330   2.3330   1.1670 0.1897000 1.698000 
1 1 1    6   14   26 o   11.900   0.6983   11.030   0.9974   12.770   0.9776 -1.742000 1.397000 
1 1 1    6   14   27 o   4.2190   1.2950   5.0650   2.0150   3.3730   1.6260 1.692000 2.589000 
1 1 1    6   14   28 o   5.3420   1.3030   5.6080   1.7900   5.0770   1.8950 0.5310000 2.606000 
1 1 1    6   14   29 o   5.9180   1.3810   6.0300   1.8900   5.8070   2.0130 0.2236000 2.761000 
1 1 1    6   14   30 o   3.1930   1.0740   2.6620   1.3150   3.7250   1.6970 -1.063000 2.147000 
1 1 1    6   14   31 o   5.1720   1.5590   4.7460   2.0910   5.5990   2.3120 -0.8539000 3.117000 
1 1 1    6   14   32 o   3.5340   1.2170   3.6700   1.7670   3.3980   1.6750 0.2720000 2.435000 
1 1 1    6   14   33 o   2.7330   0.9517   2.7860   1.3640   2.6810   1.3270 0.1050000 1.903000 
1 1 1    6   16    0 o   39.680   0.3204   39.660   0.4524   39.690   0.4537 -0.3741000E-01 0.6407000 
1 1 1    6   16    1 o   29.740   0.3182   30.340   0.4488   29.140   0.4513 1.201000 0.6364000 
1 1 1    6   16    2 o   66.870   0.4449   67.250   0.6321   66.500   0.6262 0.7440000 0.8898000 
1 1 1    6   16    3 o   35.820   0.3238   36.580   0.4544   35.050   0.4614 1.533000 0.6476000 
1 1 1    6   16    4 o   75.020   0.4937   75.650   0.7021   74.380   0.6943 1.264000 0.9874000 
1 1 1    6   16    5 o   24.710   0.4693   23.390   0.6095   26.030   0.7137 -2.644000 0.9385000 
1 1 1    6   16    6 o   44.860   0.4039   45.350   0.5794   44.360   0.5630 0.9932000 0.8079000 
1 1 1    6   16    7 o   29.210   0.4465   31.060   0.6756   27.350   0.5841 3.712000 0.8931000 
1 1 1    6   16    8 o   10.270   1.2440   10.980   1.6680   9.5570   1.8470 1.427000 2.489000 
1 1 1    6   16    9 o   69.160   0.5462   69.140   0.7743   69.180   0.7706 -0.3516000E-01 1.092000 
1 1 1    6   16   10 o   60.540   0.4996   60.220   0.7082   60.850   0.7050 -0.6287000 0.9992000 
1 1 1    6   16   11 f   8.8500   1.0490   8.5810   1.5090   9.1190   1.4580 -0.5386000 2.098000 
1 1 1    6   16   12 o   60.440   0.4289   60.650   0.6059   60.230   0.6072 0.4230000 0.8578000 
1 1 1    6   16   13 o   5.7700   1.2930   6.6570   1.8070   4.8830   1.8490 1.774000 2.586000 
1 1 1    6   16   14 o   19.390   0.4741   19.140   0.6602   19.640   0.6805 -0.4958000 0.9481000 
1 1 1    6   16   15 o   27.650   0.4300   27.180   0.6141   28.120   0.6021 -0.9411000 0.8601000 
1 1 1    6   16   16 o   8.6360   1.3760   8.6820   1.8350   8.5890   2.0500 0.9333000E-01 2.752000 
1 1 1    6   16   17 o   7.5640   1.2470   8.3490   1.5270   6.7800   1.9730 1.569000 2.495000 
1 1 1    6   16   18 o   11.590   0.6855   12.230   0.8851   10.950   1.0470 1.280000 1.371000 
1 1 1    6   16   19 o   11.970   0.6534   11.730   0.9043   12.200   0.9435 -0.4780000 1.307000 
1 1 1    6   16   20 o   15.300   0.5181   15.640   0.6850   14.950   0.7776 0.6854000 1.036000 
1 1 1    6   16   21 o   10.320   0.7476   9.9310   1.0630   10.700   1.0520 -0.7720000 1.495000 
1 1 1    6   16   22 o   11.980   0.6523   12.060   0.8897   11.890   0.9542 0.1719000 1.305000 
1 1 1    6   16   23 o   5.6890   1.2310   5.3160   1.7550   6.0630   1.7260 -0.7465000 2.462000 
1 1 1    6   16   24 o   6.3160   1.2010   6.5530   1.6320   6.0790   1.7620 0.4739000 2.401000 
1 1 1    6   16   25 o   3.7070   1.1460   3.0680   1.4330   4.3450   1.7880 -1.277000 2.291000 
1 1 1    6   16   26 o   3.6580   1.2210   3.8220   1.7810   3.4940   1.6720 0.3280000 2.442000 
1 1 1    6   16   27 o   3.9040   1.1850   4.5040   1.7870   3.3040   1.5580 1.200000 2.371000 
1 1 1    6   16   28 o   8.9560   1.1200   9.2960   1.4120   8.6170   1.7400 0.6791000 2.241000 
1 1 1    6   16   29 o   2.9800   1.0210   2.3860   1.2010   3.5750   1.6520 -1.189000 2.042000 
1 1 1    6   16   30 o   3.4780   1.2060   3.8290   1.8280   3.1260   1.5730 0.7031000 2.412000 
1 1 1    6   16   31 o   4.1080   1.3390   5.0640   2.1630   3.1520   1.5790 1.911000 2.678000 
1 1 1    6   16   32 o   3.1630   1.0550   3.7060   1.6630   2.6210   1.2990 1.086000 2.110000 
1 1 1    6   18    0 o   31.310   0.4027   31.450   0.5761   31.180   0.5627 0.2660000 0.8054000 
1 1 1    6   18    1 f   61.840   0.4278   62.090   0.6067   61.590   0.6033 0.5019000 0.8556000 
1 1 1    6   18    2 o   86.890   0.5659   87.260   0.8033   86.520   0.7974 0.7416000 1.132000 
1 1 1    6   18    3 o  102.200   0.7609  102.200   1.0770  102.100   1.0750 0.1396000 1.522000 
1 1 1    6   18    4 o   7.5820   1.3340   5.7700   2.0620   9.3950   1.6920 -3.625000 2.668000 
1 1 1    6   18    5 o   32.340   0.4297   32.130   0.6045   32.550   0.6109 -0.4257000 0.8594000 
1 1 1    6   18    6 o   8.3690   1.3280   8.7680   1.8140   7.9690   1.9410 0.7989000 2.657000 
1 1 1    6   18    7 o   36.060   0.3650   36.650   0.5057   35.470   0.5263 1.173000 0.7299000 
1 1 1    6   18    8 o   23.740   0.4293   24.050   0.5809   23.420   0.6322 0.6301000 0.8586000 
1 1 1    6   18    9 o   32.170   0.3683   31.790   0.5080   32.560   0.5332 -0.7621000 0.7365000 
1 1 1    6   18   10 o   9.7890   0.9583   9.1380   1.4380   10.440   1.2670 -1.302000 1.917000 
1 1 1    6   18   11 o   30.100   0.3842   30.390   0.5334   29.810   0.5530 0.5765000 0.7683000 
1 1 1    6   18   12 o   26.890   0.4011   27.330   0.5569   26.450   0.5774 0.8823000 0.8022000 
1 1 1    6   18   13 o   14.570   0.6943   14.720   0.9838   14.430   0.9799 0.2816000 1.389000 
1 1 1    6   18   14 o   26.880   0.5502   26.270   0.7599   27.500   0.7959 -1.229000 1.100000 
1 1 1    6   18   15 o   7.7380   1.2060   9.9930   1.2670   5.4840   2.0520 4.509000 2.412000 
1 1 1    6   18   16 o   18.190   0.4697   18.740   0.6244   17.650   0.7020 1.090000 0.9395000 
1 1 1    6   18   17 o   11.610   0.7243   11.770   1.0540   11.460   0.9933 0.3150000 1.449000 
1 1 1    6   18   18 o   5.0540   1.2010   4.1690   1.6600   5.9390   1.7370 -1.770000 2.403000 
1 1 1    6   18   19 o   5.4800   1.0660   7.5960   1.4370   3.3630   1.5760 4.233000 2.133000 
1 1 1    6   18   20 o   5.9970   1.1930   6.6600   1.5820   5.3340   1.7870 1.327000 2.386000 
1 1 1    6   18   21 o   14.870   0.5390   14.730   0.7365   15.000   0.7873 -0.2748000 1.078000 
1 1 1    6   18   22 o   16.260   0.5249   16.240   0.7105   16.290   0.7728 -0.4549000E-01 1.050000 
1 1 1    6   18   23 o   9.2610   0.9302   8.4360   1.3870   10.090   1.2400 -1.651000 1.860000 
1 1 1    6   18   24 o   7.6230   1.4890   7.2210   2.0530   8.0250   2.1590 -0.8045000 2.979000 
1 1 1    6   18   25 o   12.740   0.9888   12.330   1.4310   13.140   1.3650 -0.8100000 1.978000 
1 1 1    6   18   26 o   17.050   0.5749   17.170   0.7725   16.940   0.8516 0.2344000 1.150000 
1 1 1    6   18   27 o   4.6700   1.2570   5.9140   1.9300   3.4260   1.6100 2.488000 2.513000 
1 1 1    6   18   28 o   4.2290   1.2690   4.6830   1.8790   3.7740   1.7070 0.9090000 2.539000 
1 1 1    6   18   29 o   4.4350   1.4100   4.9840   2.1080   3.8860   1.8740 1.098000 2.821000 
1 1 1    6   18   30 o   2.9620   1.0170   2.4640   1.2360   3.4600   1.6160 -0.9964000 2.034000 
1 1 1    6   18   31 o   2.7840   0.9660   2.3930   1.2020   3.1740   1.5120 -0.7810000 1.932000 
1 1 1    6   20    0 o   8.9080   1.0440   9.7290   1.3210   8.0870   1.6170 1.642000 2.088000 
1 1 1    6   20    1 o   63.260   0.4379   63.190   0.6184   63.320   0.6202 -0.1383000 0.8758000 
1 1 1    6   20    2 o   45.600   0.3977   44.880   0.5994   46.310   0.5229 -1.427000 0.7954000 
1 1 1    6   20    3 o   39.510   0.3573   39.730   0.5032   39.300   0.5075 0.4335000 0.7147000 
1 1 1    6   20    4 o   21.110   0.4638   21.570   0.6301   20.660   0.6808 0.9109000 0.9276000 
1 1 1    6   20    5 o   12.270   0.7516   12.070   1.0580   12.470   1.0680 -0.3953000 1.503000 
1 1 1    6   20    6 o   11.970   0.7628   11.300   1.1190   12.640   1.0370 -1.335000 1.526000 
1 1 1    6   20    7 o   17.400   0.5336   17.810   0.7150   16.980   0.7922 0.8272000 1.067000 
1 1 1    6   20    8 o   19.040   0.4906   19.500   0.6576   18.580   0.7283 0.9243000 0.9813000 
1 1 1    6   20    9 o   18.850   0.5432   18.910   0.7481   18.790   0.7878 0.1226000 1.086000 
1 1 1    6   20   10 o   31.440   0.4740   32.220   0.5637   30.660   0.7623 1.563000 0.9481000 
1 1 1    6   20   11 o   29.150   0.5136   29.940   0.6654   28.360   0.7826 1.576000 1.027000 
1 1 1    6   20   12 o   7.4730   1.2880   8.3690   1.5960   6.5770   2.0210 1.793000 2.575000 
1 1 1    6   20   13 o   3.9710   1.1190   5.1840   1.7880   2.7590   1.3460 2.425000 2.238000 
1 1 1    6   20   14 o   10.400   0.8087   10.360   1.1170   10.430   1.1700 -0.6866000E-01 1.617000 
1 1 1    6   20   15 o   11.150   0.7335   10.610   1.0670   11.680   1.0070 -1.071000 1.467000 
1 1 1    6   20   16 o   12.030   0.6665   12.630   0.8796   11.430   1.0020 1.206000 1.333000 
1 1 1    6   20   17 f   12.730   0.6420   13.190   0.8566   12.270   0.9566 0.9197000 1.284000 
1 1 1    6   20   18 o   9.7690   0.8307   10.710   1.0500   8.8280   1.2870 1.883000 1.661000 
1 1 1    6   20   19 o   15.830   0.5293   15.580   0.7498   16.080   0.7472 -0.4953000 1.059000 
1 1 1    6   20   20 o   19.930   0.4571   19.380   0.6493   20.470   0.6435 -1.097000 0.9142000 
1 1 1    6   20   21 o   10.210   0.8581   9.6380   1.2410   10.780   1.1860 -1.140000 1.716000 
1 1 1    6   20   22 o   4.6520   1.3140   3.9340   1.7320   5.3700   1.9760 -1.436000 2.628000 
1 1 1    6   20   23 o   3.6220   1.2250   3.5240   1.6960   3.7190   1.7690 -0.1941000 2.450000 
1 1 1    6   20   24 o   10.370   0.9493   11.360   1.1050   9.3750   1.5440 1.989000 1.899000 
1 1 1    6   20   25 f   5.7920   1.3990   5.2340   1.9260   6.3490   2.0290 -1.115000 2.797000 
1 1 1    6   20   26 o   2.6670   0.9348   2.7880   1.3700   2.5470   1.2730 0.2411000 1.870000 
1 1 1    6   20   27 o   3.2900   1.0970   2.9290   1.4220   3.6510   1.6720 -0.7211000 2.195000 
1 1 1    6   20   28 o   3.0460   1.0750   3.4620   1.6780   2.6310   1.3450 0.8305000 2.150000 
1 1 1    6   20   29 o   3.6910   1.1660   2.9980   1.4400   4.3840   1.8340 -1.385000 2.332000 
1 1 1    6   20   30 o   2.6320   0.9189   2.6630   1.3120   2.6010   1.2870 0.6230000E-01 1.838000 
1 1 1    6   22    0 o   12.710   0.7592   13.390   0.9875   12.030   1.1540 1.358000 1.518000 
1 1 1    6   22    1 o   34.700   0.3960   34.450   0.5514   34.950   0.5685 -0.5046000 0.7920000 
1 1 1    6   22    2 o   31.580   0.4053   31.640   0.5629   31.510   0.5834 0.1295000 0.8107000 
1 1 1    6   22    3 o   19.810   0.5274   20.040   0.7162   19.580   0.7743 0.4597000 1.055000 
1 1 1    6   22    4 o   23.290   0.4687   23.410   0.6501   23.170   0.6753 0.2376000 0.9374000 
1 1 1    6   22    5 o   8.3150   1.1870   8.0540   1.6790   8.5750   1.6770 -0.5211000 2.373000 
1 1 1    6   22    6 o   9.6080   1.0890   10.580   1.2270   8.6380   1.7990 1.940000 2.178000 
1 1 1    6   22    7 o   6.4570   1.3460   7.0030   1.7240   5.9110   2.0670 1.092000 2.692000 
1 1 1    6   22    8 o   13.030   0.7651   14.080   0.8693   11.980   1.2590 2.092000 1.530000 
1 1 1    6   22    9 o   5.6110   1.2980   4.9760   1.8060   6.2460   1.8660 -1.270000 2.597000 
1 1 1    6   22   10 o   4.2460   1.1880   4.8490   1.7390   3.6440   1.6200 1.206000 2.376000 
1 1 1    6   22   11 o   10.380   0.7854   10.090   1.0990   10.670   1.1230 -0.5810000 1.571000 
1 1 1    6   22   12 o   10.620   0.7599   10.650   1.0110   10.600   1.1350 0.4484000E-01 1.520000 
1 1 1    6   22   13 o   5.6980   1.2390   5.3510   1.7080   6.0450   1.7960 -0.6938000 2.478000 
1 1 1    6   22   14 o   4.9700   1.2440   4.0630   1.6790   5.8760   1.8350 -1.812000 2.487000 
1 1 1    6   22   15 o   13.050   0.6516   13.000   0.9029   13.110   0.9398 -0.1026000 1.303000 
1 1 1    6   22   16 o   5.3670   1.2640   6.2460   1.7810   4.4870   1.7940 1.759000 2.528000 
1 1 1    6   22   17 o   3.8890   1.1390   4.8260   1.7860   2.9530   1.4140 1.873000 2.278000 
1 1 1    6   22   18 o   10.260   0.8527   10.690   1.1180   9.8370   1.2880 0.8506000 1.705000 
1 1 1    6   22   19 o   4.3290   1.1860   5.4270   1.8240   3.2310   1.5180 2.196000 2.373000 
1 1 1    6   22   20 o   5.1510   1.3170   6.1990   1.9190   4.1020   1.8050 2.096000 2.635000 
1 1 1    6   22   21 o   6.4060   1.5640   5.1750   2.1420   7.6360   2.2800 -2.461000 3.128000 
1 1 1    6   22   22 o   10.080   0.9886   9.3880   1.4830   10.770   1.3080 -1.385000 1.977000 
1 1 1    6   22   23 o   8.8420   1.1550   9.9320   1.3890   7.7520   1.8460 2.180000 2.310000 
1 1 1    6   22   24 o   5.7340   1.4020   5.3480   1.9810   6.1210   1.9850 -0.7733000 2.804000 
1 1 1    6   22   25 o   3.2620   1.0960   3.1340   1.5010   3.3900   1.5980 -0.2555000 2.193000 
1 1 1    6   22   26 o   4.3740   1.4200   3.8940   1.8390   4.8550   2.1650 -0.9609000 2.841000 
1 1 1    6   22   27 f   3.0560   1.0820   2.7950   1.4100   3.3180   1.6420 -0.5229000 2.164000 
1 1 1    6   22   28 o   2.3660   0.8421   2.7050   1.3260   2.0280   1.0380 0.6774000 1.684000 
1 1 1    6   24    0 o   20.370   0.4755   20.340   0.6464   20.390   0.6975 -0.5262000E-01 0.9509000 
1 1 1    6   24    1 o   6.4670   1.2760   6.0960   1.8000   6.8390   1.8090 -0.7427000 2.552000 
1 1 1    6   24    2 o   6.5740   1.2650   5.7530   1.8210   7.3940   1.7550 -1.641000 2.529000 
1 1 1    6   24    3 o   7.1300   1.1110   8.4100   1.3480   5.8490   1.7670 2.561000 2.222000 
1 1 1    6   24    4 f   12.110   0.6840   12.240   0.9101   11.980   1.0210 0.2670000 1.368000 
1 1 1    6   24    5 o   13.470   0.6169   13.160   0.8563   13.780   0.8881 -0.6220000 1.234000 
1 1 1    6   24    6 o   22.340   0.4071   22.290   0.5539   22.380   0.5967 -0.9016000E-01 0.8142000 
1 1 1    6   24    7 f   16.610   0.5085   16.690   0.6896   16.530   0.7474 0.1640000 1.017000 
1 1 1    6   24    8 o   15.370   0.5440   14.820   0.7592   15.930   0.7793 -1.109000 1.088000 
1 1 1    6   24    9 o   7.2330   1.1210   8.3370   1.3370   6.1290   1.8010 2.208000 2.243000 
1 1 1    6   24   10 o   15.790   0.5326   16.500   0.6822   15.080   0.8180 1.422000 1.065000 
1 1 1    6   24   11 o   19.820   0.4493   20.000   0.6016   19.640   0.6675 0.3563000 0.8986000 
1 1 1    6   24   12 o   4.0090   1.1950   3.9390   1.6560   4.0790   1.7240 -0.1406000 2.390000 
1 1 1    6   24   13 o   6.9200   1.1840   7.9240   1.4710   5.9170   1.8570 2.007000 2.369000 
1 1 1    6   24   14 o   17.580   0.5080   17.500   0.6924   17.670   0.7434 -0.1652000 1.016000 
1 1 1    6   24   15 o   6.0500   1.3300   5.5070   1.9150   6.5920   1.8480 -1.085000 2.661000 
1 1 1    6   24   16 o   4.7470   1.2570   3.9130   1.6730   5.5810   1.8760 -1.668000 2.514000 
1 1 1    6   24   17 o   11.020   0.8669   12.240   1.0300   9.7880   1.3950 2.456000 1.734000 
1 1 1    6   24   18 o   5.9620   1.5940   5.4210   2.1940   6.5040   2.3130 -1.084000 3.188000 
1 1 1    6   24   19 o   4.4310   1.4070   4.7400   2.0630   4.1220   1.9150 0.6180000 2.814000 
1 1 1    6   24   20 o   8.3540   1.1870   8.0230   1.7330   8.6850   1.6220 -0.6624000 2.374000 
1 1 1    6   24   21 o   4.5440   1.3080   3.7440   1.6940   5.3440   1.9940 -1.600000 2.616000 
1 1 1    6   24   22 o   4.4770   1.3160   4.0590   1.7770   4.8940   1.9410 -0.8349000 2.631000 
1 1 1    6   24   23 o   4.5720   1.3270   4.8720   1.9190   4.2710   1.8330 0.6008000 2.654000 
1 1 1    6   24   24 o   3.4840   1.2030   4.0850   1.9130   2.8830   1.4610 1.202000 2.407000 
1 1 1    6   24   25 o   3.0840   1.0890   3.1820   1.5770   2.9850   1.5010 0.1978000 2.178000 
1 1 1    6   24   26 o   3.1730   1.0670   2.9810   1.4330   3.3650   1.5820 -0.3835000 2.134000 
1 1 1    6   26    0 o   9.9910   0.8067   10.860   1.0120   9.1250   1.2560 1.731000 1.613000 
1 1 1    6   26    1 o   22.490   0.3927   22.530   0.5477   22.440   0.5629 0.8242000E-01 0.7854000 
1 1 1    6   26    2 o   20.380   0.4266   20.920   0.5864   19.840   0.6198 1.083000 0.8533000 
1 1 1    6   26    3 o   20.730   0.4267   20.870   0.5930   20.590   0.6137 0.2841000 0.8534000 
1 1 1    6   26    4 f   6.3690   1.2560   6.1470   1.7460   6.5900   1.8070 -0.4430000 2.513000 
1 1 1    6   26    5 o   13.310   0.6393   12.920   0.8896   13.710   0.9184 -0.7960000 1.279000 
1 1 1    6   26    6 o   13.000   0.6604   13.670   0.8411   12.330   1.0180 1.335000 1.321000 
1 1 1    6   26    7 o   25.370   0.3932   25.240   0.5360   25.490   0.5754 -0.2499000 0.7864000 
1 1 1    6   26    8 o   17.370   0.5150   16.870   0.7046   17.880   0.7514 -1.015000 1.030000 
1 1 1    6   26    9 o   7.7090   1.1360   7.6590   1.5470   7.7590   1.6650 -0.1000000 2.273000 
1 1 1    6   26   10 f   5.4580   1.3020   4.8970   1.7970   6.0190   1.8860 -1.123000 2.605000 
1 1 1    6   26   11 o   15.120   0.5917   15.650   0.7739   14.580   0.8953 1.078000 1.183000 
1 1 1    6   26   12 o   7.2820   1.1830   8.2720   1.4530   6.2910   1.8680 1.982000 2.366000 
1 1 1    6   26   13 o   6.4350   1.2750   5.2300   1.8290   7.6400   1.7760 -2.411000 2.549000 
1 1 1    6   26   14 o   9.1860   1.1290   10.230   1.3600   8.1420   1.8030 2.089000 2.259000 
1 1 1    6   26   15 o   4.1900   1.3620   4.2610   1.9560   4.1190   1.8960 0.1423000 2.724000 
1 1 1    6   26   16 o   5.7200   1.5090   4.1990   1.9460   7.2420   2.3070 -3.043000 3.018000 
1 1 1    6   26   17 o   4.0920   1.2850   4.0670   1.8350   4.1170   1.7990 -0.5019000E-01 2.570000 
1 1 1    6   26   18 o   5.4160   1.3690   4.6650   1.8890   6.1660   1.9830 -1.501000 2.739000 
1 1 1    6   26   19 o   3.5700   1.1650   3.4830   1.6230   3.6570   1.6730 -0.1742000 2.331000 
1 1 1    6   26   20 o   11.700   0.9564   13.140   1.2560   10.250   1.4420 2.883000 1.913000 
1 1 1    6   26   21 o   4.2260   1.2830   4.2540   1.8170   4.1990   1.8120 0.5487000E-01 2.566000 
1 1 1    6   26   22 o   4.0670   1.3460   3.4380   1.6790   4.6970   2.1030 -1.259000 2.691000 
1 1 1    6   26   23 o   2.8650   1.0070   2.7380   1.3670   2.9920   1.4780 -0.2535000 2.013000 
1 1 1    6   26   24 o   2.4070   0.8557   2.6290   1.3010   2.1850   1.1120 0.4440000 1.711000 
1 1 1    6   28    0 o   13.510   0.6264   13.680   0.8582   13.340   0.9128 0.3434000 1.253000 
1 1 1    6   28    1 o   15.140   0.5657   15.090   0.7885   15.190   0.8113 -0.1004000 1.131000 
1 1 1    6   28    2 o   5.0340   1.2250   6.1030   1.7740   3.9650   1.6890 2.139000 2.450000 
1 1 1    6   28    3 o   13.190   0.7173   13.120   0.9139   13.260   1.1060 -0.1427000 1.435000 
1 1 1    6   28    4 o   15.060   0.6014   14.390   0.8448   15.740   0.8562 -1.343000 1.203000 
1 1 1    6   28    5 o   20.620   0.4655   20.290   0.6424   20.950   0.6738 -0.6618000 0.9310000 
1 1 1    6   28    6 o   6.1640   1.2080   7.6450   1.5700   4.6830   1.8360 2.961000 2.416000 
1 1 1    6   28    7 o   4.3930   1.2240   5.1780   1.8220   3.6070   1.6360 1.571000 2.449000 
1 1 1    6   28    8 o   18.490   0.5194   19.370   0.6732   17.610   0.7910 1.760000 1.039000 
1 1 1    6   28    9 o   9.9290   1.0630   10.200   1.4130   9.6560   1.5880 0.5464000 2.125000 
1 1 1    6   28   10 o   9.7920   1.0980   8.9220   1.6810   10.660   1.4130 -1.740000 2.195000 
1 1 1    6   28   11 o   4.2370   1.3030   4.5910   1.9230   3.8820   1.7600 0.7093000 2.607000 
1 1 1    6   28   12 o   5.2550   1.4520   5.3540   2.0670   5.1560   2.0410 0.1986000 2.905000 
1 1 1    6   28   13 o   8.4960   1.3590   10.120   1.6640   6.8730   2.1490 3.245000 2.717000 
1 1 1    6   28   14 o   5.1920   1.2880   3.7560   1.6830   6.6290   1.9510 -2.873000 2.577000 
1 1 1    6   28   15 f   5.8430   1.3670   6.6310   1.9160   5.0560   1.9520 1.575000 2.735000 
1 1 1    6   28   16 o   5.1580   1.3660   5.8370   1.9840   4.4790   1.8790 1.358000 2.733000 
1 1 1    6   28   17 o   3.9370   1.2130   3.0720   1.4810   4.8010   1.9220 -1.730000 2.427000 
1 1 1    6   28   18 o   3.7970   1.2090   3.8490   1.7190   3.7450   1.7020 0.1040000 2.419000 
1 1 1    6   28   19 o   4.0710   1.3460   3.6220   1.6980   4.5210   2.0890 -0.8991000 2.691000 
1 1 1    6   28   20 o   4.2360   1.3610   4.8620   2.0890   3.6110   1.7460 1.252000 2.722000 
1 1 1    6   28   21 o   2.5310   0.8946   2.9500   1.4270   2.1130   1.0790 0.8362000 1.789000 
1 1 1    6   28   22 o   2.3700   0.8593   2.3820   1.2230   2.3570   1.2070 0.2565000E-01 1.719000 
1 1 1    6   30    0 o   6.2600   1.6080   5.9810   2.5300   6.5400   1.9860 -0.5588000 3.217000 
1 1 1    6   30    1 o   5.8510   1.4190   4.3070   2.0710   7.3960   1.9410 -3.090000 2.838000 
1 1 1    6   30    2 o   8.9220   1.5920   8.4810   2.7230   9.3620   1.6520 -0.8817000 3.185000 
1 1 1    6   30    3 o   9.1330   1.6310   8.4180   2.7750   9.8480   1.7130 -1.430000 3.261000 
1 1 1    6   30    4 o   15.460   0.6671   16.120   0.8919   14.810   0.9923 1.313000 1.334000 
1 1 1    6   30    5 o   5.1190   1.3980   6.2920   2.1300   3.9470   1.8110 2.345000 2.796000 
1 1 1    6   30    6 o   11.850   0.9873   12.400   1.3240   11.300   1.4650 1.100000 1.975000 
1 1 1    6   30    7 o   6.1510   1.4060   4.7120   1.9630   7.5890   2.0150 -2.877000 2.812000 
1 1 1    6   30    8 o   5.7470   1.3930   7.3360   2.0790   4.1580   1.8550 3.179000 2.787000 
1 1 1    6   30    9 o   4.1800   1.2450   3.4140   1.5900   4.9470   1.9160 -1.533000 2.490000 
1 1 1    6   30   10 o   4.2570   1.2630   3.9290   1.7180   4.5850   1.8510 -0.6559000 2.525000 
1 1 1    6   30   11 o   7.0370   1.3030   6.2040   1.9250   7.8700   1.7560 -1.666000 2.606000 
1 1 1    6   30   12 o   4.1890   1.2640   4.5740   1.8640   3.8040   1.7080 0.7696000 2.528000 
1 1 1    6   30   13 o   4.4190   1.3010   4.8150   1.9040   4.0230   1.7730 0.7927000 2.602000 
1 1 1    6   30   14 o   3.9200   1.2150   4.4900   1.8440   3.3500   1.5830 1.141000 2.430000 
1 1 1    6   30   15 o   2.6010   0.9290   2.3840   1.2140   2.8170   1.4070 -0.4337000 1.858000 
1 1 1    6   30   16 o   3.3540   1.1510   3.3060   1.5870   3.4020   1.6670 -0.9559000E-01 2.302000 
1 1 1    6   30   17 o   2.4810   0.8926   2.3430   1.1890   2.6180   1.3320 -0.2757000 1.785000 
1 1 1    6   30   18 o   4.3460   1.2770   5.0900   1.9550   3.6020   1.6430 1.489000 2.554000 
1 1 1    6   30   19 o   1.6620   0.6133   1.7150   0.8939   1.6100   0.8399 0.1050000 1.227000 
1 1 1    6   32    0 o   3.1570   1.0630   3.1000   1.4770   3.2140   1.5280 -0.1141000 2.125000 
1 1 1    6   32    1 o   4.2880   1.2760   4.1100   1.7530   4.4670   1.8540 -0.3576000 2.551000 
1 1 1    6   32    2 o   6.0230   1.3020   7.2820   1.7760   4.7630   1.9060 2.518000 2.605000 
1 1 1    6   32    3 o   7.1070   1.2880   8.3400   1.6130   5.8750   2.0080 2.465000 2.576000 
1 1 1    6   32    4 o   6.9200   1.3170   6.0700   1.9180   7.7700   1.8050 -1.700000 2.634000 
1 1 1    6   32    5 f   5.4480   1.3510   6.3250   1.9360   4.5720   1.8840 1.753000 2.701000 
1 1 1    6   32    6 o   4.8940   1.3850   4.9080   1.9800   4.8790   1.9380 0.2917000E-01 2.771000 
1 1 1    6   32    7 o   4.3600   1.3440   4.2300   1.9320   4.4910   1.8690 -0.2612000 2.688000 
1 1 1    6   32    8 o   3.5260   1.1630   3.0430   1.5140   4.0090   1.7640 -0.9655000 2.325000 
1 1 1    6   32    9 o   3.2140   1.1360   3.4090   1.7150   3.0180   1.4900 0.3909000 2.271000 
1 1 1    6   32   10 o   3.2610   1.1420   3.2650   1.6510   3.2570   1.5770 0.8040000E-02 2.283000 
1 1 1    6   32   11 o   3.3950   1.2120   4.1870   2.0390   2.6030   1.3090 1.584000 2.423000 
1 1 1    6   32   12 o   2.8540   1.0240   2.8420   1.4550   2.8650   1.4410 -0.2349000E-01 2.048000 
1 1 1    6   32   13 o   2.4220   0.8714   2.5390   1.2900   2.3050   1.1720 0.2340000 1.743000 
1 1 1    6   32   14 o   2.5910   0.9246   2.6900   1.3570   2.4910   1.2560 0.1983000 1.849000 
1 1 1    6   32   15 o   2.1950   1.1390  ?   ?    2.1950   1.1390      ?      ? 
1 1 1    6   34    0 o   2.9000   1.0070   2.5550   1.2800   3.2450   1.5550 -0.6892000 2.014000 
1 1 1    6   34    1 o   3.8880   1.2280   4.4910   1.8880   3.2850   1.5720 1.206000 2.457000 
1 1 1    6   34    2 o   2.8460   0.9925   2.4600   1.2390   3.2320   1.5510 -0.7715000 1.985000 
1 1 1    6   34    3 o   3.2580   1.1000   3.6550   1.6860   2.8600   1.4140 0.7952000 2.200000 
1 1 1    6   34    4 o   3.3880   1.1120   3.4390   1.5860   3.3380   1.5590 0.1002000 2.224000 
1 1 1    6   34    5 o   2.7800   0.9718   2.7860   1.3740   2.7740   1.3750 0.1129000E-01 1.944000 
1 1 1    6   34    6 o   2.7520   0.9639   2.5100   1.2610   2.9930   1.4580 -0.4831000 1.928000 
1 1 1    6   34    7 o   2.9930   1.0310   2.9850   1.4530   3.0000   1.4640 -0.1517000E-01 2.062000 
1 1 1    6   34    8 o   2.0850   0.7562   1.8860   0.9710   2.2840   1.1590 -0.3978000 1.512000 
1 1 1    7    1    0 o   74.880   0.4706   74.790   0.6646   74.970   0.6664 -0.1750000 0.9411000 
1 1 1    7    1    1 o   63.870   0.4022   63.910   0.5690   63.820   0.5687 0.9146000E-01 0.8044000 
1 1 1    7    1    2 o   54.680   0.3459   55.170   0.4933   54.190   0.4849 0.9747000 0.6917000 
1 1 1    7    1    3 f   73.180   0.6527   73.040   0.9214   73.330   0.9247 -0.2943000 1.305000 
1 1 1    7    1    4 o  112.700   1.0030  113.400   1.4280  112.000   1.4100 1.441000 2.007000 
1 1 1    7    1    5 o   91.210   0.5746   90.890   0.8097   91.540   0.8155 -0.6575000 1.149000 
1 1 1    7    1    6 o   89.350   0.5634   89.340   0.7967   89.360   0.7968 -0.1707000E-01 1.127000 
1 1 1    7    1    7 o   77.400   0.4900   77.510   0.6938   77.290   0.6922 0.2203000 0.9801000 
1 1 1    7    1    8 o   60.140   0.3858   60.530   0.5488   59.750   0.5424 0.7784000 0.7716000 
1 1 1    7    1    9 f   53.800   0.4953   53.790   0.7002   53.810   0.7007 -0.2602000E-01 0.9906000 
1 1 1    7    1   10 o   19.090   0.2440   19.510   0.3688   18.660   0.3197 0.8486000 0.4881000 
1 1 1    7    1   11 o   14.970   0.2667   15.300   0.3723   14.640   0.3820 0.6604000 0.5335000 
1 1 1    7    1   12 o   24.920   0.2344   24.890   0.3227   24.950   0.3400 -0.6589000E-01 0.4687000 
1 1 1    7    1   13 o   37.170   0.2734   36.880   0.3834   37.460   0.3898 -0.5783000 0.5468000 
1 1 1    7    1   14 o   5.1580   0.8979   4.4630   1.3460   5.8520   1.1890 -1.388000 1.796000 
1 1 1    7    1   15 o   20.930   0.3455   19.730   0.4779   22.140   0.4990 -2.406000 0.6910000 
1 1 1    7    1   16 f   50.780   0.3519   50.700   0.4980   50.870   0.4975 -0.1718000 0.7039000 
1 1 1    7    1   17 f   30.430   0.3021   30.320   0.4249   30.540   0.4296 -0.2144000 0.6042000 
1 1 1    7    1   18 o   36.170   0.4336   35.850   0.6118   36.490   0.6146 -0.6403000 0.8672000 
1 1 1    7    1   19 o   27.880   0.3455   27.920   0.4883   27.840   0.4889 0.8455000E-01 0.6910000 
1 1 1    7    1   20 o   9.5820   0.8350   8.0430   1.3340   11.120   1.0040 -3.079000 1.670000 
1 1 1    7    1   21 o   2.9030   0.9620   3.5970   1.5740   2.2090   1.1060 1.388000 1.924000 
1 1 1    7    1   22 o   23.470   0.5594   23.400   0.7564   23.530   0.8243 -0.1267000 1.119000 
1 1 1    7    1   23 o   11.760   0.9468   12.170   1.3170   11.350   1.3610 0.8213000 1.894000 
1 1 1    7    1   24 o   25.300   0.3383   25.260   0.4676   25.350   0.4891 -0.9852000E-01 0.6767000 
1 1 1    7    1   25 o   15.520   0.4862   15.110   0.6989   15.930   0.6762 -0.8260000 0.9724000 
1 1 1    7    1   26 o   4.5980   1.0630   3.1420   1.4270   6.0540   1.5770 -2.912000 2.127000 
1 1 1    7    1   27 o   9.8960   0.7545   8.4350   1.1900   11.360   0.9280 -2.923000 1.509000 
1 1 1    7    1   28 o   12.870   0.5797   12.960   0.8079   12.790   0.8317 0.1697000 1.159000 
1 1 1    7    1   29 o   3.9030   1.1500   3.6420   1.5730   4.1630   1.6760 -0.5210000 2.299000 
1 1 1    7    1   30 f   4.1510   1.3000   4.3350   1.8800   3.9670   1.7970 0.3685000 2.601000 
1 1 1    7    1   31 o   4.0310   1.2070   4.3590   1.7730   3.7030   1.6390 0.6562000 2.414000 
1 1 1    7    1   32 o   4.0260   1.2160   4.2840   1.7610   3.7690   1.6780 0.5155000 2.432000 
1 1 1    7    1   33 o   4.1300   1.2520   4.5880   1.8620   3.6720   1.6750 0.9162000 2.504000 
1 1 1    7    1   34 o   4.4360   1.4000   3.3030   1.6290   5.5690   2.2790 -2.266000 2.801000 
1 1 1    7    1   35 o   3.5500   1.1640   3.2520   1.5510   3.8480   1.7360 -0.5965000 2.328000 
1 1 1    7    1   36 o   3.6710   1.1810   3.4090   1.5980   3.9340   1.7390 -0.5246000 2.362000 
1 1 1    7    3    0 o   97.270   0.7064   97.060   0.9969   97.490   1.0010 -0.4347000 1.413000 
1 1 1    7    3    1 o   55.550   0.4067   55.430   0.5738   55.670   0.5764 -0.2370000 0.8133000 
1 1 1    7    3    2 o   95.020   0.7710   96.060   0.9871   93.980   1.1850 2.079000 1.542000 
1 1 1    7    3    3 o   62.150   0.4567   61.880   0.6432   62.430   0.6486 -0.5478000 0.9134000 
1 1 1    7    3    4 o   65.370   0.4154   65.730   0.5902   65.010   0.5847 0.7146000 0.8308000 
1 1 1    7    3    5 o  110.300   0.6945  110.200   0.9817  110.400   0.9827 -0.1795000 1.389000 
1 1 1    7    3    6 o   90.920   0.5738   90.170   0.8048   91.660   0.8182 -1.488000 1.148000 
1 1 1    7    3    7 o   24.750   0.2052   24.680   0.2879   24.820   0.2926 -0.1478000 0.4104000 
1 1 1    7    3    8 o   73.490   0.5407   74.170   0.7718   72.810   0.7575 1.367000 1.081000 
1 1 1    7    3    9 o   53.150   0.4912   53.170   0.6954   53.140   0.6941 0.3150000E-01 0.9825000 
1 1 1    7    3   10 o   30.430   0.2362   30.350   0.3339   30.520   0.3341 -0.1620000 0.4724000 
1 1 1    7    3   11 o   18.090   0.2500   18.180   0.3516   17.990   0.3556 0.1900000 0.5001000 
1 1 1    7    3   12 o   28.200   0.2416   28.080   0.3381   28.320   0.3452 -0.2403000 0.4832000 
1 1 1    7    3   13 o   19.960   0.2865   20.060   0.4260   19.850   0.3831 0.2120000 0.5729000 
1 1 1    7    3   14 o   22.700   0.2933   22.420   0.4446   22.990   0.3826 -0.5676000 0.5866000 
1 1 1    7    3   15 o   5.5800   0.9487   4.8110   1.4390   6.3490   1.2360 -1.538000 1.897000 
1 1 1    7    3   16 f   31.140   0.2881   31.240   0.4051   31.040   0.4098 0.1963000 0.5763000 
1 1 1    7    3   17 o   52.300   0.5119   52.190   0.7183   52.410   0.7294 -0.2240000 1.024000 
1 1 1    7    3   18 o   48.080   0.4931   47.590   0.6895   48.580   0.7052 -0.9901000 0.9863000 
1 1 1    7    3   19 o   30.650   0.3523   30.750   0.5128   30.550   0.4833 0.2034000 0.7046000 
1 1 1    7    3   20 o   15.840   0.5104   15.700   0.6868   15.970   0.7554 -0.2708000 1.021000 
1 1 1    7    3   21 o   8.1340   0.9756   9.0530   1.1760   7.2150   1.5570 1.838000 1.951000 
1 1 1    7    3   22 o   7.4810   1.4420   7.6400   1.9390   7.3230   2.1360 0.3166000 2.885000 
1 1 1    7    3   23 o   4.5390   1.2820   4.1880   1.7360   4.8910   1.8860 -0.7032000 2.563000 
1 1 1    7    3   24 o   5.7290   1.1030   6.8810   1.4490   4.5770   1.6630 2.303000 2.206000 
1 1 1    7    3   25 o   6.3840   1.0650   5.4270   1.6100   7.3400   1.3950 -1.913000 2.130000 
1 1 1    7    3   26 o   18.670   0.4104   18.670   0.5702   18.680   0.5904 -0.6311000E-02 0.8208000 
1 1 1    7    3   27 o   13.230   0.5558   12.920   0.7873   13.540   0.7849 -0.6174000 1.112000 
1 1 1    7    3   28 o   9.7500   0.7763   10.970   0.9101   8.5320   1.2580 2.436000 1.553000 
1 1 1    7    3   29 o   8.3970   0.9262   7.7220   1.3820   9.0710   1.2330 -1.349000 1.852000 
1 1 1    7    3   30 o   3.4860   1.1660   3.4420   1.6370   3.5300   1.6610 -0.8763000E-01 2.332000 
1 1 1    7    3   31 o   3.0260   1.0100   3.1450   1.4620   2.9060   1.3940 0.2394000 2.020000 
1 1 1    7    3   32 o   4.6050   1.2970   4.8070   1.8650   4.4020   1.8040 0.4045000 2.595000 
1 1 1    7    3   33 o   3.5640   1.1580   3.4710   1.6030   3.6580   1.6720 -0.1874000 2.316000 
1 1 1    7    3   34 o   6.9500   1.7170   6.6880   2.3640   7.2130   2.4920 -0.5248000 3.435000 
1 1 1    7    3   35 o   3.3610   1.1200   2.9500   1.4410   3.7710   1.7160 -0.8212000 2.240000 
1 1 1    7    3   36 o   2.6840   0.9407   2.5360   1.2690   2.8330   1.3890 -0.2969000 1.881000 
1 1 1    7    5    0 o  151.100   1.0980  151.100   1.5520  151.200   1.5530 -0.1528000 2.196000 
1 1 1    7    5    1 o   95.180   0.7750   95.000   0.9782   95.360   1.2020 -0.3614000 1.550000 
1 1 1    7    5    2 o   43.470   0.3741   43.550   0.4716   43.390   0.5808 0.1672000 0.7481000 
1 1 1    7    5    3 o   61.230   0.3919   61.520   0.5568   60.940   0.5516 0.5834000 0.7838000 
1 1 1    7    5    4 o   97.530   0.6156   98.050   0.8754   97.010   0.8657 1.047000 1.231000 
1 1 1    7    5    5 o   78.160   0.4960   78.190   0.7015   78.130   0.7015 0.6099000E-01 0.9921000 
1 1 1    7    5    6 o   50.790   0.3326   51.110   0.4726   50.470   0.4681 0.6401000 0.6652000 
1 1 1    7    5    7 o  102.300   0.7475  102.200   1.0560  102.400   1.0580 -0.1855000 1.495000 
1 1 1    7    5    8 o   53.150   0.4039   53.490   0.5733   52.820   0.5690 0.6787000 0.8078000 
1 1 1    7    5    9 o   54.280   0.3561   54.390   0.5043   54.170   0.5028 0.2195000 0.7121000 
1 1 1    7    5   10 o   18.500   0.2507   18.160   0.3511   18.840   0.3580 -0.6787000 0.5015000 
1 1 1    7    5   11 o   15.950   0.2838   15.650   0.3973   16.260   0.4053 -0.6119000 0.5675000 
1 1 1    7    5   12 o   51.060   0.3436   50.870   0.4836   51.260   0.4883 -0.3937000 0.6872000 
1 1 1    7    5   13 o   48.980   0.3357   49.210   0.4746   48.750   0.4750 0.4602000 0.6715000 
1 1 1    7    5   14 o   14.550   0.3856   14.530   0.5322   14.570   0.5582 -0.3645000E-01 0.7713000 
1 1 1    7    5   15 o   66.820   0.4391   66.780   0.6197   66.850   0.6223 -0.7069000E-01 0.8782000 
1 1 1    7    5   16 o   26.530   0.3096   25.630   0.4280   27.420   0.4476 -1.786000 0.6193000 
1 1 1    7    5   17 o   24.100   0.4730   24.530   0.6541   23.680   0.6835 0.8465000 0.9461000 
1 1 1    7    5   18 o   49.640   0.3643   49.500   0.5117   49.790   0.5188 -0.2889000 0.7286000 
1 1 1    7    5   19 o   36.220   0.3323   35.960   0.4630   36.490   0.4767 -0.5336000 0.6645000 
1 1 1    7    5   20 o   14.760   0.5528   14.670   0.7404   14.840   0.8212 -0.1668000 1.106000 
1 1 1    7    5   21 o   2.8280   0.9537   2.7290   1.3060   2.9270   1.3900 -0.1982000 1.907000 
1 1 1    7    5   22 f   14.510   0.8119   15.260   1.0400   13.770   1.2470 1.485000 1.624000 
1 1 1    7    5   23 o   26.160   0.3422   25.990   0.4678   26.320   0.4995 -0.3293000 0.6843000 
1 1 1    7    5   24 o   11.630   0.6223   11.410   0.8429   11.850   0.9156 -0.4337000 1.245000 
1 1 1    7    5   25 o   6.4030   1.0960   5.4610   1.6060   7.3460   1.4930 -1.885000 2.193000 
1 1 1    7    5   26 o   14.100   0.5273   14.380   0.7162   13.820   0.7741 0.5538000 1.055000 
1 1 1    7    5   27 o   6.4220   1.0640   8.1400   1.2570   4.7040   1.7170 3.436000 2.128000 
1 1 1    7    5   28 o   4.9900   1.1200   6.3730   1.5940   3.6070   1.5720 2.766000 2.239000 
1 1 1    7    5   29 o   16.870   0.4861   16.610   0.6613   17.140   0.7127 -0.5267000 0.9723000 
1 1 1    7    5   30 o   7.3250   1.3230   8.9920   1.6580   5.6580   2.0620 3.334000 2.646000 
1 1 1    7    5   31 o   7.0410   1.1800   7.8130   1.5060   6.2690   1.8160 1.545000 2.360000 
1 1 1    7    5   32 o   5.7810   1.3350   4.9740   1.8650   6.5890   1.9100 -1.615000 2.670000 
1 1 1    7    5   33 o   6.6990   1.3530   6.1060   1.9150   7.2910   1.9100 -1.185000 2.705000 
1 1 1    7    5   34 o   3.8730   1.3040   3.8930   1.8340   3.8530   1.8540 0.3996000E-01 2.608000 
1 1 1    7    5   35 o   3.3530   1.1000   2.4080   1.2130   4.2990   1.8360 -1.891000 2.200000 
1 1 1    7    5   36 o   2.5060   0.8870   2.4120   1.2130   2.5990   1.2940 -0.1869000 1.774000 
1 1 1    7    7    0 o   99.890   0.6304   99.240   0.8857  100.500   0.8973 -1.299000 1.261000 
1 1 1    7    7    1 o   52.290   0.3672   51.390   0.5472   53.200   0.4897 -1.808000 0.7344000 
1 1 1    7    7    2 o   42.780   0.2893   42.800   0.4093   42.760   0.4091 0.4203000E-01 0.5787000 
1 1 1    7    7    3 o   45.820   0.3068   45.950   0.4346   45.690   0.4332 0.2608000 0.6137000 
1 1 1    7    7    4 o   11.900   0.3427   11.960   0.4819   11.830   0.4875 0.1336000 0.6855000 
1 1 1    7    7    5 o   34.800   0.2927   35.410   0.4174   34.190   0.4106 1.219000 0.5855000 
1 1 1    7    7    6 o   25.290   0.3246   25.080   0.4574   25.490   0.4608 -0.4106000 0.6492000 
1 1 1    7    7    7 o   61.090   0.4593   61.260   0.6508   60.920   0.6482 0.3381000 0.9185000 
1 1 1    7    7    8 o   48.160   0.3247   47.930   0.4570   48.400   0.4613 -0.4723000 0.6493000 
1 1 1    7    7    9 o   42.870   0.2987   42.650   0.4203   43.090   0.4247 -0.4414000 0.5975000 
1 1 1    7    7   10 o   3.8400   0.9153   4.2120   1.2950   3.4680   1.2930 0.7441000 1.831000 
1 1 1    7    7   11 o   15.170   0.3347   15.160   0.4641   15.190   0.4823 -0.3551000E-01 0.6694000 
1 1 1    7    7   12 o   7.5200   0.6652   7.9160   0.8589   7.1250   1.0160 0.7908000 1.330000 
1 1 1    7    7   13 o   51.000   0.3513   50.840   0.4944   51.160   0.4991 -0.3249000 0.7025000 
1 1 1    7    7   14 o   34.040   0.3163   34.580   0.4779   33.490   0.4146 1.094000 0.6326000 
1 1 1    7    7   15 o   28.420   0.3064   28.880   0.4298   27.960   0.4369 0.9141000 0.6129000 
1 1 1    7    7   16 o   26.110   0.4492   26.400   0.6296   25.830   0.6409 0.5655000 0.8984000 
1 1 1    7    7   17 o   18.770   0.5160   18.220   0.7564   19.320   0.7020 -1.105000 1.032000 
1 1 1    7    7   18 o   35.820   0.3364   35.290   0.4635   36.360   0.4876 -1.071000 0.6728000 
1 1 1    7    7   19 f   7.4170   1.0980   8.2340   1.3720   6.5990   1.7140 1.636000 2.195000 
1 1 1    7    7   20 o   35.810   0.3366   35.500   0.4653   36.110   0.4866 -0.6119000 0.6732000 
1 1 1    7    7   21 o   4.7610   1.4150   4.7900   1.9840   4.7320   2.0170 0.5821000E-01 2.829000 
1 1 1    7    7   22 o   15.890   0.7321   16.060   0.9965   15.720   1.0730 0.3398000 1.464000 
1 1 1    7    7   23 o   13.790   0.5336   14.290   0.7224   13.290   0.7854 1.002000 1.067000 
1 1 1    7    7   24 o   6.4820   1.0780   5.9500   1.5630   7.0140   1.4860 -1.064000 2.157000 
1 1 1    7    7   25 o   10.980   0.6702   11.150   0.9073   10.800   0.9868 0.3521000 1.340000 
1 1 1    7    7   26 o   20.520   0.3996   20.770   0.5424   20.270   0.5871 0.4949000 0.7993000 
1 1 1    7    7   27 o   4.1990   1.1510   3.4290   1.5140   4.9680   1.7350 -1.540000 2.302000 
1 1 1    7    7   28 o   5.7660   1.1710   6.6680   1.5560   4.8640   1.7520 1.804000 2.343000 
1 1 1    7    7   29 o   8.3060   1.2880   9.5760   1.5700   7.0350   2.0430 2.540000 2.576000 
1 1 1    7    7   30 o   7.8150   1.4220   8.6440   1.9380   6.9860   2.0810 1.658000 2.844000 
1 1 1    7    7   31 o   4.1580   1.2350   4.6070   1.8310   3.7090   1.6590 0.8977000 2.471000 
1 1 1    7    7   32 o   4.3150   1.2160   5.3640   1.8830   3.2670   1.5400 2.097000 2.432000 
1 1 1    7    7   33 o   5.0260   1.3640   4.9190   1.9050   5.1340   1.9540 -0.2151000 2.729000 
1 1 1    7    7   34 o   3.7190   1.2680   3.3290   1.6350   4.1090   1.9390 -0.7794000 2.536000 
1 1 1    7    7   35 o   3.0050   1.0300   2.9090   1.4210   3.1010   1.4910 -0.1924000 2.060000 
1 1 1    7    7   36 o   2.1690   0.7837   2.0770   1.0620   2.2600   1.1520 -0.1831000 1.567000 
1 1 1    7    9    0 o   42.150   0.3345   41.940   0.4709   42.350   0.4753 -0.4101000 0.6691000 
1 1 1    7    9    1 o   31.530   0.2830   31.280   0.3992   31.770   0.4011 -0.4906000 0.5659000 
1 1 1    7    9    2 o   61.090   0.4577   61.180   0.6481   61.000   0.6464 0.1876000 0.9153000 
1 1 1    7    9    3 f   57.430   0.3773   56.880   0.5284   57.970   0.5387 -1.095000 0.7546000 
1 1 1    7    9    4 o   57.550   0.4377   57.380   0.6164   57.730   0.6215 -0.3471000 0.8754000 
1 1 1    7    9    5 o   28.040   0.2922   27.990   0.4111   28.090   0.4153 -0.9285000E-01 0.5844000 
1 1 1    7    9    6 o   87.190   0.5569   87.650   0.7912   86.730   0.7838 0.9268000 1.114000 
1 1 1    7    9    7 o   43.250   0.3042   43.540   0.4317   42.960   0.4288 0.5749000 0.6085000 
1 1 1    7    9    8 o   27.910   0.2804   28.160   0.4210   27.660   0.3705 0.5031000 0.5608000 
1 1 1    7    9    9 o   70.970   0.4601   71.580   0.6555   70.360   0.6457 1.222000 0.9201000 
1 1 1    7    9   10 o   55.030   0.3697   55.370   0.5248   54.700   0.5210 0.6718000 0.7395000 
1 1 1    7    9   11 o   8.5750   0.6838   10.070   0.7485   7.0850   1.1440 2.980000 1.368000 
1 1 1    7    9   12 o   58.190   0.4242   58.790   0.5595   57.580   0.6378 1.208000 0.8484000 
1 1 1    7    9   13 o   17.850   0.3793   18.190   0.5183   17.520   0.5540 0.6668000 0.7587000 
1 1 1    7    9   14 o   6.5870   1.0160   6.4310   1.4500   6.7440   1.4250 -0.3126000 2.033000 
1 1 1    7    9   15 o   24.530   0.6682  ?   ?    24.530   0.6682      ?      ? 
1 1 1    7    9   16 o   24.070   0.4414   24.440   0.6191   23.700   0.6293 0.7425000 0.8828000 
1 1 1    7    9   17 o   28.640   0.3484   28.520   0.4856   28.770   0.4996 -0.2509000 0.6967000 
1 1 1    7    9   18 o   44.210   0.3541   44.380   0.4963   44.050   0.5054 0.3280000 0.7083000 
1 1 1    7    9   19 o   14.760   0.5471   13.720   0.7937   15.790   0.7532 -2.064000 1.094000 
1 1 1    7    9   20 o   20.630   0.4896   20.430   0.6865   20.820   0.6982 -0.3886000 0.9792000 
1 1 1    7    9   21 f   11.990   0.9648   12.160   1.1750   11.820   1.5310 0.3441000 1.930000 
1 1 1    7    9   22 o   26.750   0.3431   27.230   0.4715   26.270   0.4985 0.9510000 0.6861000 
1 1 1    7    9   23 o   12.290   0.5946   11.510   0.8436   13.060   0.8382 -1.548000 1.189000 
1 1 1    7    9   24 o   7.5910   0.9792   7.1090   1.3920   8.0720   1.3780 -0.9631000 1.958000 
1 1 1    7    9   25 o   21.410   0.3884   21.330   0.5343   21.480   0.5639 -0.1499000 0.7768000 
1 1 1    7    9   26 o   9.7240   0.7984   10.080   1.0150   9.3670   1.2320 0.7142000 1.597000 
1 1 1    7    9   27 o   15.040   0.5159   14.840   0.6914   15.240   0.7658 -0.3967000 1.032000 
1 1 1    7    9   28 o   6.3560   1.1950   7.2960   1.5500   5.4170   1.8190 1.879000 2.390000 
1 1 1    7    9   29 o   11.810   1.0160   11.210   1.4870   12.410   1.3850 -1.205000 2.032000 
1 1 1    7    9   30 o   4.9390   1.2870   4.2310   1.7410   5.6470   1.8960 -1.415000 2.574000 
1 1 1    7    9   31 o   3.9780   1.2240   3.9090   1.7010   4.0460   1.7590 -0.1372000 2.447000 
1 1 1    7    9   32 o   3.1440   1.0680   3.1920   1.5210   3.0950   1.5010 0.9645000E-01 2.137000 
1 1 1    7    9   33 o   3.7370   1.2740   3.9920   1.8830   3.4820   1.7170 0.5097000 2.549000 
1 1 1    7    9   34 o   3.0960   1.0570   3.4440   1.6180   2.7480   1.3610 0.6956000 2.114000 
1 1 1    7    9   35 o   2.1910   0.7884   2.2380   1.1370   2.1440   1.0930 0.9320000E-01 1.577000 
1 1 1    7   11    0 o   23.850   0.2948   24.290   0.4119   23.410   0.4220 0.8760000 0.5897000 
1 1 1    7   11    1 o   35.180   0.3101   35.280   0.4375   35.090   0.4395 0.1940000 0.6201000 
1 1 1    7   11    2 o   56.110   0.3713   56.150   0.5252   56.060   0.5251 0.8538000E-01 0.7427000 
1 1 1    7   11    3 o   31.930   0.2644   31.990   0.3717   31.870   0.3760 0.1191000 0.5288000 
1 1 1    7   11    4 o   45.840   0.3199   45.700   0.4506   45.970   0.4543 -0.2689000 0.6399000 
1 1 1    7   11    5 o   41.580   0.3024   41.580   0.4271   41.580   0.4283 0.6561000E-03 0.6049000 
1 1 1    7   11    6 o   20.270   0.2966   19.990   0.4204   20.550   0.4185 -0.5561000 0.5932000 
1 1 1    7   11    7 o   43.030   0.3114   43.150   0.4407   42.920   0.4400 0.2327000 0.6228000 
1 1 1    7   11    8 o   36.320   0.2929   36.790   0.4146   35.850   0.4139 0.9402000 0.5859000 
1 1 1    7   11    9 o   25.090   0.2976   25.350   0.4165   24.830   0.4252 0.5176000 0.5952000 
1 1 1    7   11   10 o   21.130   0.3314   21.080   0.4653   21.180   0.4722 -0.9578000E-01 0.6629000 
1 1 1    7   11   11 o  104.100   0.6641  104.100   0.9394  104.000   0.9390 0.1249000 1.328000 
1 1 1    7   11   12 o   65.080   0.4350   65.100   0.6154   65.050   0.6150 0.4864000E-01 0.8701000 
1 1 1    7   11   13 f   18.350   0.4625   17.250   0.6665   19.450   0.6416 -2.199000 0.9251000 
1 1 1    7   11   14 o   33.340   0.4605   33.610   0.6538   33.070   0.6487 0.5382000 0.9211000 
1 1 1    7   11   15 o   34.850   0.4372   35.030   0.6673   34.660   0.5651 0.3608000 0.8744000 
1 1 1    7   11   16 o   15.150   0.5480   14.380   0.7912   15.920   0.7585 -1.537000 1.096000 
1 1 1    7   11   17 o   18.000   0.4841   18.290   0.6400   17.710   0.7264 0.5846000 0.9681000 
1 1 1    7   11   18 o   12.650   0.6376   12.270   0.8934   13.030   0.9100 -0.7641000 1.275000 
1 1 1    7   11   19 o   23.770   0.4456   23.330   0.6319   24.210   0.6285 -0.8825000 0.8913000 
1 1 1    7   11   20 o   3.9710   1.2790   3.7380   1.7140   4.2030   1.8980 -0.4651000 2.557000 
1 1 1    7   11   21 o   20.620   0.3928   19.990   0.5463   21.240   0.5644 -1.247000 0.7855000 
1 1 1    7   11   22 o   19.530   0.4133   19.330   0.5703   19.720   0.5984 -0.3822000 0.8267000 
1 1 1    7   11   23 o   8.7790   0.8328   8.0560   1.1950   9.5020   1.1600 -1.446000 1.666000 
1 1 1    7   11   24 o   10.430   0.7036   10.210   0.9631   10.640   1.0260 -0.4349000 1.407000 
1 1 1    7   11   25 o   8.9500   0.8830   10.340   0.9501   7.5630   1.4890 2.772000 1.766000 
1 1 1    7   11   26 o   3.8650   1.1230   4.2990   1.6430   3.4320   1.5320 0.8670000 2.246000 
1 1 1    7   11   27 o   5.5550   1.2550   5.5580   1.7360   5.5510   1.8120 0.7211000E-02 2.510000 
1 1 1    7   11   28 o   4.4940   1.3510   4.7900   1.9480   4.1970   1.8730 0.5932000 2.702000 
1 1 1    7   11   29 o   3.6250   1.1460   3.9200   1.6850   3.3290   1.5540 0.5907000 2.292000 
1 1 1    7   11   30 o   3.7440   1.1680   2.8640   1.3920   4.6240   1.8760 -1.760000 2.336000 
1 1 1    7   11   31 o   4.5620   1.3110   4.0690   1.7500   5.0560   1.9520 -0.9865000 2.622000 
1 1 1    7   11   32 o   5.3020   1.3330   7.0080   2.0720   3.5960   1.6780 3.412000 2.667000 
1 1 1    7   11   33 o   3.3520   1.1680   3.8670   1.8380   2.8380   1.4410 1.029000 2.336000 
1 1 1    7   11   34 o   3.1860   1.0640   2.4940   1.2500   3.8780   1.7210 -1.383000 2.127000 
1 1 1    7   13    0 o   67.590   0.4400   67.590   0.6222   67.590   0.6223 -0.3242000E-02 0.8800000 
1 1 1    7   13    1 o   25.840   0.2806   26.220   0.3942   25.450   0.3994 0.7705000 0.5612000 
1 1 1    7   13    2 o   80.400   0.5169   80.520   0.7322   80.290   0.7298 0.2312000 1.034000 
1 1 1    7   13    3 o   37.120   0.2940   37.510   0.4167   36.730   0.4149 0.7852000 0.5881000 
1 1 1    7   13    4 o   57.670   0.3873   57.310   0.5439   58.030   0.5515 -0.7176000 0.7746000 
1 1 1    7   13    5 o   23.510   0.3080   23.420   0.4318   23.610   0.4393 -0.1845000 0.6160000 
1 1 1    7   13    6 o   18.860   0.3553   19.140   0.4894   18.580   0.5153 0.5515000 0.7106000 
1 1 1    7   13    7 o   22.340   0.3333   22.460   0.4703   22.230   0.4724 0.2250000 0.6666000 
1 1 1    7   13    8 o   83.730   0.5411   83.840   0.7661   83.620   0.7644 0.2254000 1.082000 
1 1 1    7   13    9 o   20.230   0.4107   20.190   0.6134   20.270   0.5462 -0.8315000E-01 0.8214000 
1 1 1    7   13   10 o   77.170   0.5052   77.270   0.7158   77.060   0.7132 0.2110000 1.010000 
1 1 1    7   13   11 o   66.090   0.5104   66.550   0.7246   65.630   0.7189 0.9225000 1.021000 
1 1 1    7   13   12 o   28.360   0.4847   28.830   0.6907   27.900   0.6803 0.9229000 0.9695000 
1 1 1    7   13   13 o   40.840   0.4572   42.280   0.5874   39.390   0.7008 2.892000 0.9144000 
1 1 1    7   13   14 o   4.8930   1.1760   3.3640   1.5320   6.4210   1.7840 -3.057000 2.351000 
1 1 1    7   13   15 o   26.800   0.3771   26.620   0.5183   26.980   0.5479 -0.3594000 0.7542000 
1 1 1    7   13   16 o   24.880   0.3937   25.310   0.5324   24.450   0.5803 0.8599000 0.7875000 
1 1 1    7   13   17 o   18.770   0.4642   19.180   0.6273   18.360   0.6844 0.8124000 0.9284000 
1 1 1    7   13   18 o   18.450   0.6869   17.800   0.9520   19.100   0.9904 -1.298000 1.374000 
1 1 1    7   13   19 o   4.1740   1.2540   4.1020   1.7230   4.2470   1.8230 -0.1449000 2.508000 
1 1 1    7   13   20 o   7.2400   1.0480   8.5830   1.2180   5.8970   1.7060 2.686000 2.096000 
1 1 1    7   13   21 o   11.690   0.6405   10.980   0.9199   12.390   0.8915 -1.406000 1.281000 
1 1 1    7   13   22 o   14.270   0.5249   14.130   0.7117   14.400   0.7717 -0.2642000 1.050000 
1 1 1    7   13   23 o   12.660   0.5937   11.980   0.8507   13.340   0.8284 -1.355000 1.187000 
1 1 1    7   13   24 o   7.2180   1.0550   7.1030   1.4420   7.3330   1.5410 -0.2298000 2.111000 
1 1 1    7   13   25 o   3.0810   0.9958   3.6010   1.5450   2.5600   1.2570 1.041000 1.992000 
1 1 1    7   13   26 o   5.0830   1.2500   5.0710   1.7410   5.0960   1.7940 -0.2505000E-01 2.500000 
1 1 1    7   13   27 o   10.020   1.2110   6.9530   2.0550   13.090   1.2800 -6.139000 2.421000 
1 1 1    7   13   28 o   6.8830   1.3960   7.4190   1.8900   6.3470   2.0560 1.073000 2.792000 
1 1 1    7   13   29 o   4.7960   1.2390   5.9990   1.8550   3.5940   1.6430 2.404000 2.478000 
1 1 1    7   13   30 o   4.4400   1.2960   4.1890   1.7700   4.6910   1.8950 -0.5026000 2.593000 
1 1 1    7   13   31 o   4.8430   1.3480   4.7260   1.8780   4.9590   1.9330 -0.2335000 2.695000 
1 1 1    7   13   32 f   4.4340   1.4320   3.5750   1.7320   5.2930   2.2810 -1.718000 2.864000 
1 1 1    7   13   33 o   2.6310   0.9231   2.5980   1.2880   2.6640   1.3220 -0.6674000E-01 1.846000 
1 1 1    7   13   34 o   2.2460   0.8062   2.5080   1.2520   1.9850   1.0160 0.5229000 1.612000 
1 1 1    7   15    0 o   59.600   0.4008   59.420   0.5655   59.780   0.5681 -0.3650000 0.8016000 
1 1 1    7   15    1 o  102.200   0.6513  101.900   0.9188  102.400   0.9232 -0.4769000 1.303000 
1 1 1    7   15    2 o   67.450   0.4457   67.830   0.6333   67.070   0.6274 0.7575000 0.8914000 
1 1 1    7   15    3 o   38.220   0.3406   38.080   0.4440   38.350   0.5165 -0.2695000 0.6812000 
1 1 1    7   15    4 o   88.290   0.5691   88.250   0.8037   88.340   0.8061 -0.8675000E-01 1.138000 
1 1 1    7   15    5 o   30.470   0.3205   30.710   0.4423   30.220   0.4640 0.4927000 0.6411000 
1 1 1    7   15    6 o   20.820   0.4235   20.180   0.5446   21.450   0.6486 -1.272000 0.8469000 
1 1 1    7   15    7 o   17.380   0.4582   18.060   0.6136   16.700   0.6807 1.355000 0.9165000 
1 1 1    7   15    8 o   15.220   0.5949   15.440   0.8411   15.000   0.8417 0.4360000 1.190000 
1 1 1    7   15    9 o   34.200   0.3851   34.400   0.5444   34.000   0.5449 0.3923000 0.7703000 
1 1 1    7   15   10 o   37.510   0.4206   37.810   0.6046   37.220   0.5848 0.5931000 0.8412000 
1 1 1    7   15   11 o   5.2150   1.4190   6.0370   2.1190   4.3930   1.8880 1.644000 2.838000 
1 1 1    7   15   12 o   42.440   0.3654   42.930   0.5204   41.960   0.5132 0.9632000 0.7308000 
1 1 1    7   15   13 o   33.510   0.3626   33.950   0.5041   33.060   0.5214 0.8842000 0.7253000 
1 1 1    7   15   14 o   4.9990   1.2990   4.7350   1.8050   5.2630   1.8690 -0.5274000 2.598000 
1 1 1    7   15   15 o   23.590   0.4085   24.210   0.5447   22.980   0.6088 1.231000 0.8169000 
1 1 1    7   15   16 o   5.7850   1.2690   7.1930   1.7540   4.3770   1.8340 2.815000 2.538000 
1 1 1    7   15   17 o   16.670   0.7385   16.500   0.9885   16.830   1.0970 -0.3215000 1.477000 
1 1 1    7   15   18 o   6.2340   1.3170   7.0840   1.7350   5.3830   1.9820 1.701000 2.634000 
1 1 1    7   15   19 o   4.7240   1.1900   5.4850   1.7070   3.9640   1.6590 1.521000 2.380000 
1 1 1    7   15   20 o   6.9660   1.1030   7.7920   1.3790   6.1400   1.7210 1.652000 2.205000 
1 1 1    7   15   21 o   2.9910   0.9868   3.0990   1.4210   2.8830   1.3700 0.2160000 1.974000 
1 1 1    7   15   22 o   6.6490   1.0520   8.8950   1.2090   4.4040   1.7220 4.490000 2.104000 
1 1 1    7   15   23 o   9.8970   0.8048   8.5990   1.2350   11.200   1.0320 -2.596000 1.610000 
1 1 1    7   15   24 o   6.1630   1.1810   7.0720   1.5320   5.2550   1.7970 1.817000 2.361000 
1 1 1    7   15   25 o   4.8220   1.1280   6.2420   1.6360   3.4020   1.5530 2.840000 2.255000 
1 1 1    7   15   26 o   8.3250   1.4020   7.6110   2.0030   9.0380   1.9620 -1.427000 2.804000 
1 1 1    7   15   27 o   3.6820   1.2060   3.3910   1.6080   3.9730   1.7970 -0.5817000 2.412000 
1 1 1    7   15   28 o   4.1300   1.2490   4.2290   1.7550   4.0300   1.7760 0.1981000 2.497000 
1 1 1    7   15   29 o   11.510   0.8892   12.820   1.0430   10.190   1.4410 2.634000 1.778000 
1 1 1    7   15   30 o   3.3040   1.1060   3.1290   1.4950   3.4790   1.6310 -0.3501000 2.213000 
1 1 1    7   15   31 o   4.4070   1.4400   4.1250   1.9290   4.6880   2.1390 -0.5627000 2.880000 
1 1 1    7   15   32 o   2.8830   0.9915   3.3460   1.5660   2.4190   1.2160 0.9270000 1.983000 
1 1 1    7   15   33 o   2.4070   0.8543   2.3880   1.2000   2.4260   1.2160 -0.3787000E-01 1.709000 
1 1 1    7   17    0 o   28.540   0.3911   28.690   0.5557   28.400   0.5506 0.2924000 0.7823000 
1 1 1    7   17    1 o   22.820   0.4431   23.110   0.6289   22.530   0.6242 0.5710000 0.8861000 
1 1 1    7   17    2 o   39.310   0.3889   39.700   0.5551   38.910   0.5449 0.7931000 0.7778000 
1 1 1    7   17    3 o   54.540   0.4498   54.960   0.6402   54.130   0.6320 0.8368000 0.8996000 
1 1 1    7   17    4 o   44.950   0.4121   45.820   0.5869   44.080   0.5786 1.749000 0.8241000 
1 1 1    7   17    5 o   21.860   0.5233   22.940   0.6679   20.780   0.8057 2.156000 1.047000 
1 1 1    7   17    6 o   26.940   0.4550   26.830   0.6454   27.060   0.6414 -0.2278000 0.9099000 
1 1 1    7   17    7 o   37.170   0.4181   37.210   0.5837   37.130   0.5988 0.7649000E-01 0.8362000 
1 1 1    7   17    8 o   16.260   0.6926   16.750   0.9347   15.780   1.0220 0.9673000 1.385000 
1 1 1    7   17    9 o   59.370   0.4250   59.910   0.6048   58.820   0.5973 1.087000 0.8501000 
1 1 1    7   17   10 o   9.9260   0.9560   9.2730   1.4050   10.580   1.2970 -1.308000 1.912000 
1 1 1    7   17   11 o   29.850   0.3888   30.280   0.5432   29.420   0.5563 0.8572000 0.7776000 
1 1 1    7   17   12 f   46.830   0.3783   46.890   0.5343   46.770   0.5356 0.1124000 0.7566000 
1 1 1    7   17   13 o   7.8570   1.1650   8.0380   1.6060   7.6760   1.6890 0.3626000 2.330000 
1 1 1    7   17   14 o   27.800   0.4346   27.990   0.6182   27.620   0.6111 0.3762000 0.8693000 
1 1 1    7   17   15 o   26.590   0.5520   26.310   0.7615   26.860   0.7994 -0.5476000 1.104000 
1 1 1    7   17   16 o   5.0190   1.2800   3.4950   1.5870   6.5430   2.0090 -3.049000 2.561000 
1 1 1    7   17   17 o   6.8530   1.1560   6.9460   1.5730   6.7590   1.6960 0.1873000 2.313000 
1 1 1    7   17   18 o   7.1630   1.0820   6.0670   1.6450   8.2580   1.4060 -2.190000 2.163000 
1 1 1    7   17   19 o   5.9710   1.1900   5.2370   1.7180   6.7060   1.6460 -1.469000 2.379000 
1 1 1    7   17   20 o   5.6000   1.1410   6.8500   1.5090   4.3510   1.7120 2.499000 2.282000 
1 1 1    7   17   21 o   6.4140   1.2030   6.3490   1.6650   6.4800   1.7380 -0.1307000 2.407000 
1 1 1    7   17   22 o   4.7790   1.1550   6.0570   1.6890   3.5020   1.5750 2.555000 2.309000 
1 1 1    7   17   23 o   14.970   0.5731   15.200   0.7654   14.730   0.8532 0.4685000 1.146000 
1 1 1    7   17   24 o   11.350   0.7785   11.370   1.0440   11.320   1.1550 0.5201000E-01 1.557000 
1 1 1    7   17   25 o   7.1370   1.5550   6.3090   2.2000   7.9640   2.1970 -1.655000 3.110000 
1 1 1    7   17   26 o   3.8790   1.2080   3.6570   1.6330   4.1010   1.7800 -0.4438000 2.415000 
1 1 1    7   17   27 o   5.0300   1.3110   4.0120   1.7270   6.0480   1.9720 -2.036000 2.621000 
1 1 1    7   17   28 o   3.6530   1.1780   3.4440   1.6020   3.8610   1.7280 -0.4175000 2.356000 
1 1 1    7   17   29 o   7.1120   1.3640   7.1080   1.8870   7.1160   1.9700 -0.7812000E-02 2.728000 
1 1 1    7   17   30 o   3.3740   1.1740   3.4560   1.6870   3.2920   1.6330 0.1645000 2.348000 
1 1 1    7   17   31 f   2.4150   0.8581   2.2260   1.1260   2.6050   1.2960 -0.3789000 1.716000 
1 1 1    7   17   32 o   2.5270   0.8956   2.5750   1.2790   2.4790   1.2540 0.9641000E-01 1.791000 
1 1 1    7   19    0 o   17.470   0.6099   17.170   0.8894   17.760   0.8347 -0.5950000 1.220000 
1 1 1    7   19    1 o   49.430   0.4364   49.540   0.6203   49.320   0.6139 0.2187000 0.8727000 
1 1 1    7   19    2 o   63.880   0.5083   64.310   0.7240   63.450   0.7135 0.8603000 1.017000 
1 1 1    7   19    3 o   65.130   0.5176   64.920   0.7310   65.350   0.7329 -0.4345000 1.035000 
1 1 1    7   19    4 o   43.410   0.3692   43.060   0.5174   43.750   0.5267 -0.6850000 0.7384000 
1 1 1    7   19    5 o   48.950   0.3796   49.620   0.5359   48.280   0.5377 1.345000 0.7591000 
1 1 1    7   19    6 o   30.690   0.3749   31.110   0.5196   30.280   0.5405 0.8309000 0.7497000 
1 1 1    7   19    7 o   39.470   0.3862   40.680   0.5700   38.270   0.5213 2.412000 0.7725000 
1 1 1    7   19    8 o   22.630   0.4412   22.700   0.6083   22.560   0.6393 0.1360000 0.8824000 
1 1 1    7   19    9 o   24.200   0.4175   24.760   0.5598   23.630   0.6195 1.130000 0.8350000 
1 1 1    7   19   10 o   36.340   0.4065   36.310   0.5639   36.380   0.5856 -0.6686000E-01 0.8129000 
1 1 1    7   19   11 o   13.040   0.7912   12.970   1.1300   13.110   1.1080 -0.1437000 1.582000 
1 1 1    7   19   12 o   5.0080   1.2840   6.5450   1.9930   3.4720   1.6210 3.073000 2.569000 
1 1 1    7   19   13 o   5.4130   1.3880   5.3230   1.8750   5.5030   2.0480 -0.1793000 2.776000 
1 1 1    7   19   14 o   14.320   0.6459   14.950   0.8776   13.680   0.9478 1.273000 1.292000 
1 1 1    7   19   15 o   18.190   0.4800   18.560   0.6470   17.820   0.7094 0.7378000 0.9601000 
1 1 1    7   19   16 o   9.9300   0.8206   10.470   1.0800   9.3910   1.2360 1.078000 1.641000 
1 1 1    7   19   17 o   12.440   0.6391   12.930   0.8463   11.950   0.9580 0.9776000 1.278000 
1 1 1    7   19   18 o   12.160   0.6750   13.320   0.8363   11.000   1.0600 2.326000 1.350000 
1 1 1    7   19   19 o   11.410   0.7200   11.780   0.9605   11.050   1.0730 0.7312000 1.440000 
1 1 1    7   19   20 o   13.190   0.6359   13.500   0.8426   12.880   0.9526 0.6157000 1.272000 
1 1 1    7   19   21 o   9.2730   0.9471   8.3010   1.3740   10.250   1.3040 -1.945000 1.894000 
1 1 1    7   19   22 o   6.8210   1.2190   6.9340   1.6460   6.7090   1.7970 0.2252000 2.437000 
1 1 1    7   19   23 o   4.5460   1.3180   5.2330   1.9180   3.8590   1.8090 1.375000 2.636000 
1 1 1    7   19   24 o   12.770   1.0340   13.760   1.3010   11.780   1.6070 1.978000 2.068000 
1 1 1    7   19   25 o   3.5360   1.1410   2.9800   1.4280   4.0910   1.7800 -1.111000 2.282000 
1 1 1    7   19   26 o   3.2940   1.1030   3.0510   1.4670   3.5370   1.6480 -0.4855000 2.206000 
1 1 1    7   19   27 o   3.7710   1.1950   3.4550   1.6010   4.0860   1.7750 -0.6315000 2.390000 
1 1 1    7   19   28 o   3.4580   1.1740   3.2950   1.5920   3.6210   1.7260 -0.3261000 2.348000 
1 1 1    7   19   29 o   3.5680   1.2310   2.9250   1.4650   4.2110   1.9790 -1.286000 2.463000 
1 1 1    7   19   30 o   2.7120   0.9401   3.0750   1.4590   2.3490   1.1860 0.7254000 1.880000 
1 1 1    7   19   31 o   1.5030   0.7842   1.5030   0.7842  ?   ?       ?      ? 
1 1 1    7   21    0 o   31.010   0.3576   31.090   0.5025   30.940   0.5090 0.1475000 0.7153000 
1 1 1    7   21    1 o   27.910   0.3727   27.880   0.5212   27.940   0.5330 -0.5988000E-01 0.7454000 
1 1 1    7   21    2 o   31.390   0.3575   31.370   0.5031   31.410   0.5080 -0.4542000E-01 0.7149000 
1 1 1    7   21    3 o   36.790   0.3528   37.110   0.4953   36.460   0.5025 0.6508000 0.7056000 
1 1 1    7   21    4 o   24.200   0.4455   24.090   0.6531   24.310   0.6060 -0.2142000 0.8910000 
1 1 1    7   21    5 f   21.290   0.4977   21.380   0.6926   21.200   0.7151 0.1806000 0.9955000 
1 1 1    7   21    6 o   34.760   0.4014   35.260   0.5643   34.250   0.5710 1.010000 0.8028000 
1 1 1    7   21    7 o   17.460   0.5743   15.980   0.8589   18.940   0.7625 -2.957000 1.149000 
1 1 1    7   21    8 o   13.300   0.7381   14.240   0.9412   12.360   1.1370 1.884000 1.476000 
1 1 1    7   21    9 o   27.910   0.4350   28.550   0.5592   27.270   0.6664 1.277000 0.8699000 
1 1 1    7   21   10 o   3.4890   1.1300   3.7540   1.6400   3.2240   1.5540 0.5303000 2.260000 
1 1 1    7   21   11 o   18.750   0.5356   18.230   0.7031   19.260   0.8081 -1.022000 1.071000 
1 1 1    7   21   12 o   8.0180   1.0260   8.7270   1.2160   7.3080   1.6530 1.419000 2.052000 
1 1 1    7   21   13 o   8.6150   0.9878   8.2780   1.4320   8.9530   1.3610 -0.6750000 1.976000 
1 1 1    7   21   14 f   5.8230   1.2340   4.9420   1.7490   6.7040   1.7410 -1.761000 2.467000 
1 1 1    7   21   15 o   4.6690   1.1890   3.3770   1.5230   5.9610   1.8270 -2.583000 2.379000 
1 1 1    7   21   16 o   16.160   0.5361   17.600   0.6945   14.720   0.8168 2.881000 1.072000 
1 1 1    7   21   17 o   4.2090   1.1540   3.0310   1.4260   5.3860   1.8150 -2.355000 2.308000 
1 1 1    7   21   18 o   10.320   0.8757   12.540   0.9183   8.1000   1.4910 4.442000 1.751000 
1 1 1    7   21   19 o   16.480   0.5390   16.550   0.7438   16.400   0.7802 0.1492000 1.078000 
1 1 1    7   21   20 o   14.440   0.6193   15.080   0.8178   13.810   0.9303 1.270000 1.239000 
1 1 1    7   21   21 o   14.710   0.7483   15.200   1.0730   14.220   1.0430 0.9737000 1.497000 
1 1 1    7   21   22 o   9.3690   1.4350   9.1180   2.0190   9.6200   2.0390 -0.5018000 2.869000 
1 1 1    7   21   23 o   7.3080   1.2760   7.3990   1.7560   7.2170   1.8520 0.1822000 2.552000 
1 1 1    7   21   24 o   5.4400   1.3020   3.9210   1.7230   6.9590   1.9540 -3.037000 2.605000 
1 1 1    7   21   25 o   6.6870   1.3070   5.0880   1.9320   8.2860   1.7600 -3.198000 2.613000 
1 1 1    7   21   26 o   4.3910   1.2690   5.1800   1.9180   3.6030   1.6640 1.577000 2.539000 
1 1 1    7   21   27 o   3.5150   1.2140   3.2040   1.5790   3.8260   1.8450 -0.6225000 2.428000 
1 1 1    7   21   28 o   3.3750   1.1120   2.7800   1.3610   3.9700   1.7600 -1.190000 2.225000 
1 1 1    7   21   29 o   3.0300   1.0270   2.7040   1.3300   3.3570   1.5660 -0.6526000 2.054000 
1 1 1    7   23    0 o   21.900   0.4020   21.460   0.5708   22.330   0.5662 -0.8752000 0.8040000 
1 1 1    7   23    1 o   29.290   0.3471   29.240   0.4914   29.330   0.4904 -0.8755000E-01 0.6942000 
1 1 1    7   23    2 o   24.000   0.4370   24.470   0.5938   23.530   0.6413 0.9446000 0.8740000 
1 1 1    7   23    3 o   21.890   0.4607   21.730   0.6327   22.050   0.6697 -0.3142000 0.9214000 
1 1 1    7   23    4 o   15.370   0.6527   15.600   0.8215   15.140   1.0150 0.4562000 1.305000 
1 1 1    7   23    5 o   20.850   0.4969   20.370   0.6562   21.340   0.7465 -0.9623000 0.9939000 
1 1 1    7   23    6 f   11.590   0.8348   12.270   0.9998   10.910   1.3370 1.362000 1.670000 
1 1 1    7   23    7 o   22.790   0.4048   22.800   0.5501   22.790   0.5939 0.1216000E-01 0.8096000 
1 1 1    7   23    8 o   8.2670   1.0290   9.1910   1.2040   7.3440   1.6680 1.847000 2.057000 
1 1 1    7   23    9 o   4.0740   1.1650   4.6510   1.7170   3.4980   1.5770 1.153000 2.331000 
1 1 1    7   23   10 o   12.780   0.6456   13.330   0.8200   12.230   0.9974 1.099000 1.291000 
1 1 1    7   23   11 o   7.0700   1.1470   7.4870   1.4930   6.6530   1.7420 0.8341000 2.294000 
1 1 1    7   23   12 o   7.1630   1.1260   6.9230   1.5740   7.4040   1.6100 -0.4810000 2.251000 
1 1 1    7   23   13 o   9.1030   0.8945   9.0090   1.2260   9.1980   1.3030 -0.1889000 1.789000 
1 1 1    7   23   14 o   8.7490   1.0480   8.5220   1.5650   8.9750   1.3940 -0.4530000 2.096000 
1 1 1    7   23   15 o   4.0840   1.1870   4.8790   1.8140   3.2880   1.5300 1.590000 2.373000 
1 1 1    7   23   16 f   5.4070   1.2490   4.3140   1.7460   6.5010   1.7880 -2.187000 2.499000 
1 1 1    7   23   17 o   18.180   0.5160   18.290   0.7146   18.070   0.7446 0.2220000 1.032000 
1 1 1    7   23   18 o   4.2450   1.2050   3.1660   1.4900   5.3250   1.8940 -2.159000 2.410000 
1 1 1    7   23   19 o   3.8500   1.2030   3.0610   1.4700   4.6380   1.9040 -1.577000 2.406000 
1 1 1    7   23   20 o   7.2050   1.5610   5.7440   2.2040   8.6660   2.2110 -2.922000 3.122000 
1 1 1    7   23   21 o   10.210   1.0550   12.330   1.1110   8.0840   1.7950 4.249000 2.111000 
1 1 1    7   23   22 o   7.3360   1.3030   5.8130   1.9820   8.8590   1.6920 -3.046000 2.606000 
1 1 1    7   23   23 o   8.2820   1.2960   8.7220   1.8700   7.8430   1.7950 0.8795000 2.592000 
1 1 1    7   23   24 o   6.0800   1.3740   7.0830   1.9220   5.0770   1.9640 2.005000 2.748000 
1 1 1    7   23   25 o   3.9610   1.3310   3.6620   1.7610   4.2600   1.9960 -0.5989000 2.662000 
1 1 1    7   23   26 o   2.7180   0.9626   2.7480   1.3690   2.6880   1.3530 0.6012000E-01 1.925000 
1 1 1    7   23   27 o   2.3970   0.8529   2.3030   1.1600   2.4900   1.2500 -0.1871000 1.706000 
1 1 1    7   25    0 o   7.6210   1.0380   9.3910   1.1340   5.8520   1.7390 3.539000 2.076000 
1 1 1    7   25    1 o   21.040   0.4045   21.180   0.5663   20.900   0.5777 0.2849000 0.8089000 
1 1 1    7   25    2 o   27.230   0.3593   27.250   0.5065   27.210   0.5098 0.4501000E-01 0.7186000 
1 1 1    7   25    3 o   12.170   0.6666   12.190   0.9217   12.150   0.9633 0.4250000E-01 1.333000 
1 1 1    7   25    4 o   12.440   0.6828   12.810   0.8786   12.080   1.0450 0.7332000 1.366000 
1 1 1    7   25    5 o   11.510   0.7380   10.550   1.0760   12.460   1.0100 -1.906000 1.476000 
1 1 1    7   25    6 o   21.940   0.4188   22.210   0.5614   21.680   0.6217 0.5263000 0.8377000 
1 1 1    7   25    7 o   30.850   0.3554   31.080   0.4884   30.620   0.5163 0.4555000 0.7107000 
1 1 1    7   25    8 o   20.950   0.4260   20.730   0.5839   21.180   0.6204 -0.4504000 0.8520000 
1 1 1    7   25    9 o   7.4490   1.1370   7.6090   1.4980   7.2880   1.7100 0.3204000 2.273000 
1 1 1    7   25   10 o   7.7830   1.0910   7.7550   1.4660   7.8110   1.6170 -0.5649000E-01 2.183000 
1 1 1    7   25   11 o   4.4590   1.2380   4.6110   1.7380   4.3080   1.7650 0.3029000 2.477000 
1 1 1    7   25   12 o   8.8880   0.9910   8.0730   1.4800   9.7030   1.3190 -1.630000 1.982000 
1 1 1    7   25   13 o   5.1440   1.3060   5.0100   1.8200   5.2770   1.8740 -0.2676000 2.612000 
1 1 1    7   25   14 o   21.740   0.4479   22.700   0.5942   20.780   0.6703 1.916000 0.8958000 
1 1 1    7   25   15 o   14.600   0.6267   14.000   0.8892   15.210   0.8834 -1.211000 1.253000 
1 1 1    7   25   16 o   6.7590   1.1610   9.4440   1.4790   4.0740   1.7890 5.370000 2.322000 
1 1 1    7   25   17 o   3.1670   1.1100   3.0360   1.5210   3.2990   1.6170 -0.2631000 2.220000 
1 1 1    7   25   18 o   7.8770   1.4630   9.1070   1.9560   6.6470   2.1760 2.459000 2.926000 
1 1 1    7   25   19 o   10.010   0.9953   10.030   1.3970   9.9810   1.4180 0.5108000E-01 1.991000 
1 1 1    7   25   20 o   5.6410   1.4070   5.6960   1.9860   5.5870   1.9930 0.1088000 2.814000 
1 1 1    7   25   21 o   3.4570   1.1440   3.2580   1.5520   3.6570   1.6800 -0.3990000 2.288000 
1 1 1    7   25   22 o   3.7770   1.2070   3.4840   1.6250   4.0690   1.7840 -0.5857000 2.413000 
1 1 1    7   25   23 o   3.8810   1.3100   3.8860   1.8490   3.8750   1.8550 0.1016000E-01 2.619000 
1 1 1    7   25   24 o   2.6690   0.9466   2.7740   1.3810   2.5640   1.2950 0.2095000 1.893000 
1 1 1    7   25   25 o   2.8950   0.9908   3.4260   1.5830   2.3630   1.1920 1.063000 1.982000 
1 1 1    7   27    0 o   17.960   0.4785   17.720   0.6797   18.200   0.6738 -0.4708000 0.9570000 
1 1 1    7   27    1 o   16.570   0.5083   17.280   0.6864   15.860   0.7498 1.419000 1.017000 
1 1 1    7   27    2 o   24.190   0.3895   24.270   0.5446   24.110   0.5570 0.1545000 0.7790000 
1 1 1    7   27    3 o   16.630   0.5605   16.610   0.7163   16.650   0.8624 -0.4515000E-01 1.121000 
1 1 1    7   27    4 o   4.9880   1.2950   4.7860   1.7750   5.1910   1.8880 -0.4049000 2.591000 
1 1 1    7   27    5 o   7.4150   1.1770   6.0520   1.7790   8.7790   1.5410 -2.727000 2.353000 
1 1 1    7   27    6 o   3.5980   1.1330   3.0160   1.4280   4.1810   1.7600 -1.165000 2.266000 
1 1 1    7   27    7 f   7.9860   1.1150   10.130   1.1870   5.8420   1.8870 4.289000 2.230000 
1 1 1    7   27    8 o   4.1000   1.2070   3.6650   1.6070   4.5350   1.8010 -0.8701000 2.413000 
1 1 1    7   27    9 o   12.830   0.6947   13.350   0.9067   12.310   1.0530 1.047000 1.389000 
1 1 1    7   27   10 o   10.290   0.8817   10.790   1.1390   9.7890   1.3470 1.004000 1.763000 
1 1 1    7   27   11 o   6.7620   1.3970   6.5240   1.9910   7.0000   1.9620 -0.4760000 2.795000 
1 1 1    7   27   12 f   4.1190   1.2640   3.6080   1.6630   4.6310   1.9050 -1.023000 2.529000 
1 1 1    7   27   13 o   9.1040   1.1970   9.7040   1.6050   8.5040   1.7760 1.201000 2.394000 
1 1 1    7   27   14 o   4.4380   1.3690   4.3990   1.9270   4.4770   1.9450 -0.7766000E-01 2.738000 
1 1 1    7   27   15 f   3.8350   1.2560   3.8530   1.7790   3.8180   1.7740 0.3448000E-01 2.512000 
1 1 1    7   27   16 o   9.2900   1.0740   9.2000   1.5120   9.3800   1.5260 -0.1805000 2.148000 
1 1 1    7   27   17 o   8.3120   1.2290   8.5350   1.6860   8.0890   1.7880 0.4455000 2.457000 
1 1 1    7   27   18 o   7.5620   1.2000   10.100   1.4010   5.0240   1.9490 5.077000 2.400000 
1 1 1    7   27   19 o   3.7140   1.1940   4.0450   1.7790   3.3840   1.5940 0.6613000 2.388000 
1 1 1    7   27   20 o   2.9910   1.0460   3.1500   1.5400   2.8310   1.4160 0.3191000 2.092000 
1 1 1    7   27   21 o   3.1220   1.0970   3.0370   1.5140   3.2060   1.5890 -0.1690000 2.195000 
1 1 1    7   27   22 o   3.7170   1.2090   4.3510   1.8890   3.0840   1.5080 1.267000 2.417000 
1 1 1    7   27   23 o   2.6990   0.9419   2.6390   1.3060   2.7590   1.3570 -0.1194000 1.884000 
1 1 1    7   29    0 o   10.930   1.4310   9.6230   2.6330   12.230   1.1220 -2.609000 2.862000 
1 1 1    7   29    1 o   14.220   1.0710   14.150   1.9020   14.300   0.9863 -0.1490000 2.142000 
1 1 1    7   29    2 o   15.220   1.0520   14.430   1.8990   16.020   0.9051 -1.595000 2.103000 
1 1 1    7   29    3 o   5.4890   1.5710   5.3950   2.3760   5.5840   2.0550 -0.1900000 3.141000 
1 1 1    7   29    4 o   5.1510   1.4650   6.2430   2.2960   4.0600   1.8190 2.183000 2.929000 
1 1 1    7   29    5 o   11.660   0.9934   9.8130   1.5710   13.500   1.2170 -3.692000 1.987000 
1 1 1    7   29    6 o   15.720   0.7114   16.020   0.9624   15.420   1.0480 0.6061000 1.423000 
1 1 1    7   29    7 o   4.1600   1.3010   4.2720   1.8630   4.0480   1.8160 0.2242000 2.602000 
1 1 1    7   29    8 o   8.9010   1.2820   10.580   1.5040   7.2180   2.0770 3.365000 2.564000 
1 1 1    7   29    9 f   8.4340   1.3540   10.030   1.6390   6.8360   2.1570 3.195000 2.709000 
1 1 1    7   29   10 o   5.2720   1.4540   5.1740   2.0450   5.3700   2.0680 -0.1964000 2.909000 
1 1 1    7   29   11 o   7.5380   1.4650   7.0730   2.1330   8.0030   2.0090 -0.9298000 2.930000 
1 1 1    7   29   12 o   14.760   0.7015   16.070   0.9023   13.450   1.0740 2.625000 1.403000 
1 1 1    7   29   13 o   4.8790   1.2900   3.6100   1.6550   6.1470   1.9800 -2.537000 2.581000 
1 1 1    7   29   14 o   7.8870   1.2790   8.4520   1.6790   7.3220   1.9290 1.130000 2.557000 
1 1 1    7   29   15 o   11.940   0.8783   12.870   1.1160   11.000   1.3570 1.870000 1.757000 
1 1 1    7   29   16 o   3.0990   1.0540   3.6790   1.6850   2.5200   1.2660 1.159000 2.108000 
1 1 1    7   29   17 o   6.6500   1.5260   6.6610   2.1480   6.6390   2.1670 0.2172000E-01 3.051000 
1 1 1    7   29   18 o   2.7810   0.9945   3.1140   1.5440   2.4480   1.2530 0.6664000 1.989000 
1 1 1    7   29   19 o   2.3530   0.8480   2.6790   1.3380   2.0270   1.0420 0.6525000 1.696000 
1 1 1    7   29   20 o   2.9800   1.0130   3.4690   1.5950   2.4910   1.2480 0.9780000 2.025000 
1 1 1    7   31    0 o   4.7120   1.3770   4.3990   1.9010   5.0250   1.9920 -0.6265000 2.754000 
1 1 1    7   31    1 o   8.6430   1.3050   7.9640   1.9640   9.3220   1.7200 -1.359000 2.610000 
1 1 1    7   31    2 o   10.270   1.1270   10.160   1.6250   10.380   1.5610 -0.2224000 2.254000 
1 1 1    7   31    3 o   7.9480   1.4080   9.3100   1.8430   6.5850   2.1290 2.725000 2.816000 
1 1 1    7   31    4 o   4.7210   1.3200   6.3190   2.1310   3.1230   1.5570 3.196000 2.639000 
1 1 1    7   31    5 o   8.2030   1.3990   8.6380   1.9150   7.7670   2.0410 0.8709000 2.799000 
1 1 1    7   31    6 o   3.7730   1.2150   4.3640   1.8890   3.1830   1.5280 1.180000 2.430000 
1 1 1    7   31    7 o   6.3620   1.5260   6.5430   2.3140   6.1820   1.9920 0.3613000 3.053000 
1 1 1    7   31    8 o   4.1790   1.3240   4.2480   1.9490   4.1110   1.7930 0.1365000 2.648000 
1 1 1    7   31    9 f   4.2250   1.3260   4.2580   1.9460   4.1920   1.8010 0.6609000E-01 2.651000 
1 1 1    7   31   10 o   3.1470   1.0900   3.3900   1.6550   2.9040   1.4210 0.4868000 2.181000 
1 1 1    7   31   11 o   4.4040   1.3590   5.0290   2.1120   3.7780   1.7110 1.250000 2.718000 
1 1 1    7   31   12 o   3.9740   1.3340   3.9810   1.9580   3.9680   1.8130 0.1318000E-01 2.669000 
1 1 1    7   31   13 o   4.2740   1.3340   3.3330   1.6860   5.2150   2.0680 -1.882000 2.668000 
1 1 1    7   31   14 o   3.2930   1.1380   2.9890   1.5270   3.5970   1.6880 -0.6079000 2.276000 
1 1 1    7   31   15 o   3.0050   1.0560   3.3290   1.6320   2.6810   1.3410 0.6480000 2.112000 
1 1 1    7   31   16 o   2.5520   0.9116   2.2940   1.1770   2.8100   1.3920 -0.5165000 1.823000 
1 1 1    7   31   17 o   2.0460   1.0650  ?   ?    2.0460   1.0650      ?      ? 
1 1 1    7   33    0 f   4.6470   1.3670   3.9900   1.7850   5.3040   2.0710 -1.314000 2.734000 
1 1 1    7   33    1 o   3.5400   1.1560   4.4280   1.8900   2.6520   1.3330 1.776000 2.313000 
1 1 1    7   33    2 o   4.0560   1.2770   3.1790   1.5380   4.9340   2.0390 -1.754000 2.554000 
1 1 1    7   33    3 o   5.6040   1.4850   5.4700   2.0690   5.7380   2.1290 -0.2679000 2.969000 
1 1 1    7   33    4 o   2.9630   1.0340   3.0700   1.5030   2.8560   1.4220 0.2144000 2.069000 
1 1 1    7   33    5 o   4.3810   1.3310   4.9830   1.9980   3.7800   1.7570 1.203000 2.661000 
1 1 1    7   33    6 o   3.0690   1.0620   2.6630   1.3320   3.4750   1.6540 -0.8117000 2.123000 
1 1 1    7   33    7 o   3.0470   1.0550   3.2030   1.5500   2.8910   1.4300 0.3123000 2.109000 
1 1 1    7   33    8 o   2.5920   0.9219   2.4210   1.2270   2.7620   1.3770 -0.3407000 1.844000 
1 1 1    7   33    9 o   2.5500   0.8994   2.1620   1.0970   2.9380   1.4250 -0.7766000 1.799000 
1 1 1    7   33   10 o   2.4850   0.8840   2.6890   1.3340   2.2820   1.1600 0.4066000 1.768000 
1 1 1    7   33   11 o   2.7290   0.9573   2.6690   1.3270   2.7900   1.3800 -0.1208000 1.915000 
1 1 1    7   33   12 o   2.2290   0.8164   2.2720   1.1760   2.1850   1.1330 0.8719000E-01 1.633000 
1 1 1    7   35    0 o   3.0800   1.0870   2.6930   1.3810   3.4670   1.6800 -0.7747000 2.175000 
1 1 1    7   35    1 o   2.2160   1.1480   2.2160   1.1480  ?   ?       ?      ? 
1 1 1    8    0    0 o   46.940   0.4195   46.940   0.4195   46.940   0.4195 -0.000000 0.000000 
1 1 1    8    0    1 o   21.910   0.2148   21.910   0.2148   21.910   0.2148 -0.000000 0.000000 
1 1 1    8    0    2 o   64.600   0.5759   64.600   0.5759   64.600   0.5759 0.000000 0.000000 
1 1 1    8    0    4 o   24.850   0.3588   24.850   0.3588   24.850   0.3588 -0.000000 0.000000 
1 1 1    8    0    5 o  214.100   1.9000  214.100   1.9000  214.100   1.9000 0.000000 0.000000 
1 1 1    8    0    6 o   98.160   0.8742   98.160   0.8742   98.160   0.8742 0.000000 0.000000 
1 1 1    8    0    7 o   17.480   0.2830   17.480   0.2830   17.480   0.2830 0.000000 0.000000 
1 1 1    8    0    8 o   11.970   0.3829   11.970   0.3829   11.970   0.3829 -0.000000 0.000000 
1 1 1    8    0    9 o   45.760   0.6093   45.760   0.6093   45.760   0.6093 0.000000 0.000000 
1 1 1    8    0   10 o   2.7490   1.3700   2.7490   1.3700   2.7490   1.3700 0.000000 0.000000 
1 1 1    8    0   11 o   23.320   0.3248   23.320   0.3248   23.320   0.3248 -0.000000 0.000000 
1 1 1    8    0   12 o   1.6580   1.1180   1.6580   1.1180   1.6580   1.1180 -0.000000 0.000000 
1 1 1    8    0   13 f   60.970   0.5625   60.970   0.5625   60.970   0.5625 0.000000 0.000000 
1 1 1    8    0   14 o   32.020   0.3812   32.020   0.3812   32.020   0.3812 0.000000 0.000000 
1 1 1    8    0   15 o   14.260   0.5537   14.260   0.5537   14.260   0.5537 -0.000000 0.000000 
1 1 1    8    0   16 o   28.740   0.4179   28.740   0.4179   28.740   0.4179 0.000000 0.000000 
1 1 1    8    0   17 o   12.600   1.0200   12.600   1.0200   12.600   1.0200 0.000000 0.000000 
1 1 1    8    0   19 o   18.900   0.6108   18.900   0.6108   18.900   0.6108 -0.000000 0.000000 
1 1 1    8    0   20 o   33.310   0.4688   33.310   0.4688   33.310   0.4688 0.000000 0.000000 
1 1 1    8    0   21 o   1.9380   1.3670   1.9380   1.3670   1.9380   1.3670 -0.000000 0.000000 
1 1 1    8    0   22 o   24.050   0.7800   24.050   0.7800   24.050   0.7800 -0.000000 0.000000 
1 1 1    8    0   23 o   23.650   0.7391   23.650   0.7391   23.650   0.7391 -0.000000 0.000000 
1 1 1    8    0   24 o   22.160   0.5181   22.160   0.5181   22.160   0.5181 -0.000000 0.000000 
1 1 1    8    0   25 o   3.0690   1.8450   3.0690   1.8450   3.0690   1.8450 0.000000 0.000000 
1 1 1    8    0   26 o   13.840   0.7700   13.840   0.7700   13.840   0.7700 0.000000 0.000000 
1 1 1    8    0   27 o   8.3430   1.3450   8.3430   1.3450   8.3430   1.3450 0.000000 0.000000 
1 1 1    8    0   28 o   1.9680   1.3780   1.9680   1.3780   1.9680   1.3780 0.000000 0.000000 
1 1 1    8    0   29 o   2.7380   1.7610   2.7380   1.7610   2.7380   1.7610 0.000000 0.000000 
1 1 1    8    0   30 o   2.5380   1.7460   2.5380   1.7460   2.5380   1.7460 0.000000 0.000000 
1 1 1    8    0   31 o   3.0640   1.8850   3.0640   1.8850   3.0640   1.8850 0.000000 0.000000 
1 1 1    8    0   32 o   4.4700   2.2710   4.4700   2.2710   4.4700   2.2710 0.000000 0.000000 
1 1 1    8    0   33 o   2.0840   1.4820   2.0840   1.4820   2.0840   1.4820 -0.000000 0.000000 
1 1 1    8    0   34 o   3.2500   2.1930   3.2500   2.1930   3.2500   2.1930 0.000000 0.000000 
1 1 1    8    0   35 o   3.0930   2.0020   3.0930   2.0020   3.0930   2.0020 -0.000000 0.000000 
1 1 1    8    0   36 f   9.4520   1.5530   9.4520   1.5530   9.4520   1.5530 0.000000 0.000000 
1 1 1    8    2    0 o   59.220   0.4033   59.750   0.5336   58.700   0.6049 1.055000 0.8067000 
1 1 1    8    2    1 o   41.090   0.2636   41.580   0.3770   40.600   0.3686 0.9776000 0.5273000 
1 1 1    8    2    2 o   70.390   0.5123   70.580   0.7266   70.200   0.7225 0.3873000 1.025000 
1 1 1    8    2    3 o  125.300   1.5800  125.300   1.5800  ?   ?       ?      ? 
1 1 1    8    2    4 o   42.970   0.3234   43.200   0.4604   42.740   0.4543 0.4639000 0.6469000 
1 1 1    8    2    5 o   90.600   0.5713   89.840   0.8010   91.360   0.8148 -1.517000 1.143000 
1 1 1    8    2    6 o  162.100   1.0200  161.600   1.4370  162.700   1.4480 -1.080000 2.040000 
1 1 1    8    2    7 o   72.110   0.4581   72.280   0.6494   71.950   0.6464 0.3347000 0.9162000 
1 1 1    8    2    8 o   7.1190   0.5067   8.2920   0.5979   5.9450   0.8183 2.347000 1.013000 
1 1 1    8    2    9 o   54.250   0.4996   54.550   0.7100   53.950   0.7029 0.5927000 0.9991000 
1 1 1    8    2   10 o   33.960   0.2682   34.480   0.3538   33.450   0.4032 1.033000 0.5364000 
1 1 1    8    2   11 o   57.400   0.3740   57.150   0.5267   57.640   0.5312 -0.4871000 0.7480000 
1 1 1    8    2   12 o   33.950   0.2586   33.860   0.3628   34.050   0.3685 -0.1848000 0.5171000 
1 1 1    8    2   13 o   74.150   0.4764   73.880   0.6710   74.420   0.6764 -0.5341000 0.9528000 
1 1 1    8    2   14 o   84.210   0.5385   84.280   0.7617   84.150   0.7614 0.1284000 1.077000 
1 1 1    8    2   15 f   9.1220   0.5897   9.7960   0.7869   8.4470   0.8785 1.349000 1.179000 
1 1 1    8    2   16 o   25.770   0.3323   24.920   0.5096   26.630   0.4266 -1.714000 0.6646000 
1 1 1    8    2   17 o   16.180   0.5660   16.030   0.7965   16.330   0.8044 -0.2940000 1.132000 
1 1 1    8    2   18 o   32.070   0.4433   32.390   0.6151   31.750   0.6386 0.6447000 0.8866000 
1 1 1    8    2   19 o   13.670   0.5689   14.090   0.7709   13.250   0.8369 0.8411000 1.138000 
1 1 1    8    2   20 o   7.4280   1.0470   8.2720   1.2920   6.5840   1.6480 1.688000 2.094000 
1 1 1    8    2   21 o   23.880   0.3664   24.010   0.5042   23.760   0.5318 0.2415000 0.7328000 
1 1 1    8    2   22 o   19.530   0.6220   20.030   0.8595   19.030   0.8994 0.9974000 1.244000 
1 1 1    8    2   23 o   14.190   0.6329   13.190   0.8954   15.190   0.8946 -1.999000 1.266000 
1 1 1    8    2   24 o   14.150   0.5173   14.330   0.7324   13.970   0.7309 0.3627000 1.035000 
1 1 1    8    2   25 o   13.450   0.5392   13.170   0.7623   13.730   0.7627 -0.5541000 1.078000 
1 1 1    8    2   26 o   3.3790   1.0540   3.3220   1.4790   3.4370   1.5020 -0.1156000 2.108000 
1 1 1    8    2   27 o   13.260   0.5588   13.380   0.7797   13.140   0.8007 0.2373000 1.118000 
1 1 1    8    2   28 o   14.610   0.5240   15.640   0.6611   13.590   0.8133 2.049000 1.048000 
1 1 1    8    2   29 o   13.420   0.5676   13.520   0.7964   13.320   0.8090 0.1990000 1.135000 
1 1 1    8    2   30 o   12.150   0.9140   12.100   1.2620   12.200   1.3220 -0.1037000 1.828000 
1 1 1    8    2   31 o   6.4220   1.2460   7.2660   1.6560   5.5770   1.8610 1.690000 2.491000 
1 1 1    8    2   32 o   4.6630   1.3050   4.5630   1.8380   4.7630   1.8540 -0.1996000 2.611000 
1 1 1    8    2   33 o   3.7400   1.1880   4.0100   1.7430   3.4700   1.6150 0.5403000 2.376000 
1 1 1    8    2   34 o   3.5760   1.7300   3.5760   1.7300  ?   ?       ?      ? 
1 1 1    8    2   35 o   4.1420   1.2440   3.2050   1.5330   5.0790   1.9610 -1.874000 2.489000 
1 1 1    8    2   36 o   2.2840   0.8210   1.8440   0.9511   2.7240   1.3390 -0.8799000 1.642000 
1 1 1    8    4    0 o   68.070   0.4307   68.180   0.6101   67.960   0.6080 0.2218000 0.8614000 
1 1 1    8    4    1 o   47.340   0.3053   47.350   0.4319   47.330   0.4315 0.1431000E-01 0.6105000 
1 1 1    8    4    2 o   63.700   0.4683   63.680   0.6621   63.730   0.6624 -0.5210000E-01 0.9365000 
1 1 1    8    4    3 o   81.190   0.6637   80.980   1.0260   81.410   0.8419 -0.4344000 1.327000 
1 1 1    8    4    4 o   73.340   0.4652   73.390   0.6584   73.290   0.6575 0.1055000 0.9304000 
1 1 1    8    4    5 o  103.500   0.6527  103.500   0.9232  103.400   0.9228 0.1284000 1.305000 
1 1 1    8    4    6 o   79.200   0.5022   79.720   0.7145   78.680   0.7060 1.040000 1.004000 
1 1 1    8    4    7 o   34.410   0.3165   34.210   0.3951   34.610   0.4946 -0.4010000 0.6330000 
1 1 1    8    4    8 o   44.190   0.4195   44.140   0.5924   44.230   0.5940 -0.9489000E-01 0.8389000 
1 1 1    8    4    9 o   34.830   0.2937   34.950   0.4145   34.710   0.4163 0.2385000 0.5875000 
1 1 1    8    4   10 o   15.000   0.2700   14.730   0.3787   15.260   0.3850 -0.5246000 0.5400000 
1 1 1    8    4   11 o   10.170   0.4035   10.340   0.5458  10.0000   0.5944 0.3380000 0.8069000 
1 1 1    8    4   12 f   50.350   0.3388   50.130   0.4769   50.580   0.4815 -0.4495000 0.6777000 
1 1 1    8    4   13 o   39.440   0.2894   39.540   0.4100   39.340   0.4086 0.2038000 0.5788000 
1 1 1    8    4   14 o   25.000   0.2702   25.310   0.3760   24.700   0.3881 0.6050000 0.5404000 
1 1 1    8    4   15 o   29.760   0.2867   30.000   0.4027   29.520   0.4083 0.4737000 0.5735000 
1 1 1    8    4   16 o   48.880   0.3465   48.720   0.4862   49.040   0.4938 -0.3189000 0.6930000 
1 1 1    8    4   17 o   31.500   0.4229   31.520   0.5865   31.480   0.6094 0.4287000E-01 0.8458000 
1 1 1    8    4   18 o   42.440   0.3416   42.520   0.4774   42.350   0.4887 0.1649000 0.6832000 
1 1 1    8    4   19 o   36.540   0.3349   36.160   0.4662   36.910   0.4808 -0.7499000 0.6698000 
1 1 1    8    4   20 o   27.610   0.3506   27.680   0.4849   27.540   0.5067 0.1338000 0.7013000 
1 1 1    8    4   21 o   19.910   0.4175   20.230   0.5633   19.600   0.6164 0.6233000 0.8350000 
1 1 1    8    4   22 o   4.9120   1.4200   4.9020   1.9610   4.9210   2.0530 -0.1909000E-01 2.839000 
1 1 1    8    4   23 o   18.890   0.4155   18.920   0.5756   18.870   0.5993 0.4498000E-01 0.8310000 
1 1 1    8    4   24 o   3.2150   1.0250   3.2110   1.4410   3.2190   1.4560 -0.8071000E-02 2.049000 
1 1 1    8    4   25 f   17.710   0.4273   17.800   0.5878   17.610   0.6202 0.1930000 0.8545000 
1 1 1    8    4   26 o   3.8060   1.0940   3.0850   1.4040   4.5270   1.6770 -1.443000 2.187000 
1 1 1    8    4   27 o   5.6660   1.1520   6.2980   1.5330   5.0340   1.7190 1.263000 2.303000 
1 1 1    8    4   28 f   13.120   0.5719   13.380   0.7901   12.860   0.8270 0.5163000 1.144000 
1 1 1    8    4   29 o   6.8860   0.9956   3.9120   1.6230   9.8590   1.1530 -5.947000 1.991000 
1 1 1    8    4   30 o   6.8970   1.4640   6.9420   2.0590   6.8510   2.0820 0.9055000E-01 2.928000 
1 1 1    8    4   31 o   3.4870   1.1150   3.1620   1.4800   3.8130   1.6670 -0.6518000 2.229000 
1 1 1    8    4   32 o   4.2640   1.2540   4.6420   1.8200   3.8850   1.7270 0.7569000 2.508000 
1 1 1    8    4   33 o   4.0770   1.1920   5.2050   1.9000   2.9490   1.4390 2.256000 2.384000 
1 1 1    8    4   34 f   3.8570   1.2950   4.1350   1.9000   3.5780   1.7600 0.5570000 2.590000 
1 1 1    8    4   35 o   3.1050   1.0500   2.7520   1.3590   3.4580   1.6020 -0.7058000 2.101000 
1 1 1    8    4   36 o   2.5130   0.8912   2.7230   1.3470   2.3030   1.1670 0.4201000 1.782000 
1 1 1    8    6    0 o  105.500   0.7673  105.500   1.0850  105.400   1.0850 0.8206000E-01 1.535000 
1 1 1    8    6    1 o  108.100   0.6811  108.000   0.9618  108.300   0.9647 -0.3624000 1.362000 
1 1 1    8    6    2 o   57.910   0.3733   57.460   0.5245   58.360   0.5313 -0.9021000 0.7466000 
1 1 1    8    6    3 o   35.530   0.2927   35.230   0.4105   35.830   0.4173 -0.6061000 0.5853000 
1 1 1    8    6    4 o   90.100   0.5703   90.350   0.8087   89.850   0.8043 0.4957000 1.141000 
1 1 1    8    6    5 o   45.700   0.3516   45.680   0.4968   45.710   0.4976 -0.3891000E-01 0.7031000 
1 1 1    8    6    6 o   21.280   0.2746   21.300   0.4116   21.270   0.3637 0.2744000E-01 0.5493000 
1 1 1    8    6    7 o   38.300   0.3146   38.460   0.4452   38.150   0.4446 0.3075000 0.6292000 
1 1 1    8    6    8 o   74.930   0.5545   75.270   0.7877   74.580   0.7807 0.6843000 1.109000 
1 1 1    8    6    9 o   51.530   0.3427   51.720   0.4859   51.350   0.4833 0.3735000 0.6854000 
1 1 1    8    6   10 o   35.550   0.2675   35.910   0.3798   35.190   0.3766 0.7170000 0.5349000 
1 1 1    8    6   11 o   48.170   0.3282   48.200   0.4637   48.150   0.4646 0.5291000E-01 0.6564000 
1 1 1    8    6   12 o   13.770   0.3573   13.500   0.5000   14.030   0.5107 -0.5227000 0.7147000 
1 1 1    8    6   13 o   68.450   0.4462   68.700   0.6325   68.200   0.6297 0.5038000 0.8925000 
1 1 1    8    6   14 o   82.210   0.5289   81.980   0.7451   82.440   0.7509 -0.4559000 1.058000 
1 1 1    8    6   15 o   65.190   0.4322   65.070   0.6093   65.300   0.6133 -0.2308000 0.8645000 
1 1 1    8    6   16 o   60.160   0.5241   61.710   0.6699   58.610   0.8062 3.096000 1.048000 
1 1 1    8    6   17 o   19.660   0.5449   19.300   0.7715   20.010   0.7698 -0.7175000 1.090000 
1 1 1    8    6   18 o   35.520   0.3333   35.380   0.4691   35.660   0.4737 -0.2806000 0.6667000 
1 1 1    8    6   19 o   24.660   0.3696   24.860   0.4939   24.460   0.5499 0.3979000 0.7391000 
1 1 1    8    6   20 o   21.740   0.3968   21.170   0.5429   22.300   0.5787 -1.131000 0.7935000 
1 1 1    8    6   21 o   7.4130   1.2360   7.2880   1.7640   7.5380   1.7320 -0.2498000 2.472000 
1 1 1    8    6   22 f   4.1240   1.2820   2.8420   1.4120   5.4070   2.1390 -2.565000 2.563000 
1 1 1    8    6   23 o   14.920   0.5074   14.960   0.6856   14.880   0.7481 0.8525000E-01 1.015000 
1 1 1    8    6   24 o   3.0090   0.9851   3.0750   1.4020   2.9440   1.3840 0.1308000 1.970000 
1 1 1    8    6   25 o   26.430   0.3437   26.330   0.4775   26.520   0.4945 -0.1901000 0.6874000 
1 1 1    8    6   26 o   16.610   0.4770   16.390   0.6543   16.830   0.6943 -0.4425000 0.9540000 
1 1 1    8    6   27 o   15.490   0.4944   14.710   0.7076   16.280   0.6906 -1.565000 0.9887000 
1 1 1    8    6   28 o   18.070   0.4545   18.000   0.6295   18.140   0.6557 -0.1437000 0.9090000 
1 1 1    8    6   29 o   5.1340   1.2560   5.8150   1.7740   4.4540   1.7790 1.362000 2.512000 
1 1 1    8    6   30 o   4.6780   1.3750   3.7020   1.7270   5.6540   2.1410 -1.952000 2.750000 
1 1 1    8    6   31 o   4.0250   1.2110   3.5260   1.5900   4.5240   1.8270 -0.9983000 2.422000 
1 1 1    8    6   32 o   3.7420   1.1770   4.3380   1.8100   3.1450   1.5060 1.193000 2.354000 
1 1 1    8    6   33 o   4.4060   1.2580   5.2890   1.9000   3.5240   1.6480 1.765000 2.516000 
1 1 1    8    6   34 o   4.3190   1.3930   5.1630   2.2030   3.4750   1.7070 1.687000 2.787000 
1 1 1    8    6   35 o   3.1660   1.0630   2.3570   1.1910   3.9740   1.7620 -1.617000 2.127000 
1 1 1    8    6   36 o   2.4290   0.8643   2.3160   1.1710   2.5430   1.2710 -0.2269000 1.729000 
1 1 1    8    8    0 o   29.720   0.2689   29.950   0.3821   29.490   0.3783 0.4572000 0.5377000 
1 1 1    8    8    1 o   64.140   0.4760   64.450   0.6762   63.840   0.6700 0.6150000 0.9519000 
1 1 1    8    8    2 o   27.220   0.2922   27.060   0.4491   27.380   0.3740 -0.3178000 0.5844000 
1 1 1    8    8    3 f   57.190   0.4302   57.150   0.6085   57.230   0.6083 -0.7549000E-01 0.8604000 
1 1 1    8    8    4 o   42.340   0.3373   41.800   0.4732   42.880   0.4807 -1.080000 0.6746000 
1 1 1    8    8    5 o   51.010   0.3931   51.610   0.5608   50.410   0.5512 1.201000 0.7863000 
1 1 1    8    8    6 o   37.570   0.3189   37.690   0.4501   37.460   0.4519 0.2221000 0.6378000 
1 1 1    8    8    7 o   39.120   0.2828   39.290   0.4002   38.950   0.3997 0.3409000 0.5656000 
1 1 1    8    8    8 f   45.530   0.3142   45.840   0.4458   45.210   0.4429 0.6312000 0.6284000 
1 1 1    8    8    9 o   34.930   0.2719   35.310   0.3838   34.560   0.3852 0.7463000 0.5438000 
1 1 1    8    8   10 o   25.990   0.2646   26.030   0.3697   25.950   0.3787 0.7328000E-01 0.5292000 
1 1 1    8    8   11 o   14.210   0.3811   14.670   0.5154   13.740   0.5615 0.9351000 0.7621000 
1 1 1    8    8   12 o   17.670   0.3398   17.610   0.4760   17.720   0.4851 -0.1131000 0.6796000 
1 1 1    8    8   13 o   54.010   0.3701   53.730   0.5206   54.290   0.5261 -0.5626000 0.7402000 
1 1 1    8    8   14 o   42.560   0.3233   42.740   0.4570   42.380   0.4574 0.3561000 0.6466000 
1 1 1    8    8   15 o   5.5550   1.1900   5.8240   1.6140   5.2870   1.7480 0.5370000 2.380000 
1 1 1    8    8   16 o   7.5380   1.3000   8.3270   1.7080   6.7490   1.9610 1.578000 2.601000 
1 1 1    8    8   17 f   18.480   0.4415   18.870   0.5976   18.080   0.6500 0.7900000 0.8830000 
1 1 1    8    8   18 o   33.150   0.3685   33.340   0.5458   32.950   0.4952 0.3968000 0.7370000 
1 1 1    8    8   19 o   19.030   0.4554   18.490   0.6319   19.560   0.6560 -1.078000 0.9108000 
1 1 1    8    8   20 o   10.070   0.8046   10.270   1.0510   9.8710   1.2190 0.4023000 1.609000 
1 1 1    8    8   21 o   3.4490   1.1630   3.0860   1.5030   3.8110   1.7760 -0.7247000 2.327000 
1 1 1    8    8   22 o   5.3800   1.0330   7.2600   1.3630   3.5000   1.5530 3.760000 2.066000 
1 1 1    8    8   23 o   8.0070   0.9565   9.4920   1.0000   6.5220   1.6310 2.970000 1.913000 
1 1 1    8    8   24 o   13.420   0.5402   12.930   0.7425   13.920   0.7848 -0.9913000 1.080000 
1 1 1    8    8   25 o   4.2200   1.0990   5.1560   1.6250   3.2840   1.4790 1.872000 2.197000 
1 1 1    8    8   26 o   16.620   0.4665   15.860   0.6667   17.380   0.6528 -1.518000 0.9331000 
1 1 1    8    8   27 o   20.530   0.4142   20.570   0.5617   20.500   0.6089 0.7019000E-01 0.8284000 
1 1 1    8    8   28 o   9.0380   0.9150   8.3910   1.3420   9.6850   1.2440 -1.294000 1.830000 
1 1 1    8    8   29 o   12.190   0.9698   11.590   1.4100   12.800   1.3310 -1.211000 1.940000 
1 1 1    8    8   30 o   10.040   0.8625   10.170   1.1940   9.9190   1.2450 0.2489000 1.725000 
1 1 1    8    8   31 o   3.2110   1.0710   3.4470   1.5900   2.9750   1.4350 0.4727000 2.142000 
1 1 1    8    8   32 o   11.720   0.8497   10.500   1.3180   12.940   1.0730 -2.434000 1.699000 
1 1 1    8    8   33 o   3.7450   1.2760   3.8510   1.8340   3.6380   1.7740 0.2139000 2.552000 
1 1 1    8    8   34 o   3.4360   1.1460   3.1690   1.5490   3.7030   1.6900 -0.5341000 2.292000 
1 1 1    8    8   35 o   2.5990   0.9136   2.4620   1.2360   2.7360   1.3460 -0.2742000 1.827000 
1 1 1    8   10    0 o   37.820   0.2768   37.790   0.3912   37.860   0.3918 -0.7648000E-01 0.5536000 
1 1 1    8   10    1 o   19.980   0.2998   20.580   0.4173   19.380   0.4307 1.198000 0.5997000 
1 1 1    8   10    2 f   37.390   0.3181   37.860   0.4518   36.930   0.4479 0.9282000 0.6362000 
1 1 1    8   10    3 f   47.490   0.3739   47.690   0.5287   47.300   0.5289 0.3926000 0.7478000 
1 1 1    8   10    4 o   26.680   0.2913   26.350   0.4047   27.000   0.4191 -0.6503000 0.5826000 
1 1 1    8   10    5 o   55.220   0.3673   55.620   0.5224   54.830   0.5165 0.7873000 0.7346000 
1 1 1    8   10    6 o   24.860   0.2617   25.370   0.3668   24.360   0.3734 1.014000 0.5234000 
1 1 1    8   10    7 o   22.690   0.3083   22.470   0.4397   22.920   0.4322 -0.4547000 0.6166000 
1 1 1    8   10    8 o   76.520   0.4937   77.050   0.7025   75.980   0.6938 1.078000 0.9873000 
1 1 1    8   10    9 o   31.990   0.2812   32.270   0.3945   31.710   0.4008 0.5586000 0.5624000 
1 1 1    8   10   10 o   41.660   0.3103   42.270   0.4396   41.060   0.4381 1.208000 0.6206000 
1 1 1    8   10   11 o   36.520   0.3014   36.960   0.4255   36.090   0.4271 0.8705000 0.6029000 
1 1 1    8   10   12 o   98.560   0.6301   98.550   0.8907   98.560   0.8914 -0.3860000E-02 1.260000 
1 1 1    8   10   13 o   58.500   0.4005   58.380   0.5649   58.610   0.5677 -0.2284000 0.8009000 
1 1 1    8   10   14 o   39.190   0.3694   39.140   0.5155   39.250   0.5293 -0.1145000 0.7389000 
1 1 1    8   10   15 o   5.0970   1.3400   5.6000   1.9620   4.5930   1.8270 1.007000 2.681000 
1 1 1    8   10   16 o   34.200   0.3385   33.790   0.4745   34.620   0.4828 -0.8358000 0.6769000 
1 1 1    8   10   17 o   40.790   0.3488   40.710   0.4863   40.870   0.5002 -0.1581000 0.6976000 
1 1 1    8   10   18 o   29.710   0.3517   29.940   0.4842   29.470   0.5102 0.4688000 0.7034000 
1 1 1    8   10   19 o   26.520   0.3660   26.690   0.4986   26.350   0.5359 0.3464000 0.7320000 
1 1 1    8   10   20 o   12.270   0.9717   12.530   1.2290   12.000   1.5050 0.5261000 1.943000 
1 1 1    8   10   21 o   13.160   0.6888   12.210   0.9606   14.110   0.9873 -1.896000 1.378000 
1 1 1    8   10   22 o   29.890   0.3347   29.990   0.4634   29.780   0.4832 0.2100000 0.6695000 
1 1 1    8   10   23 f   11.550   0.6357   11.210   0.8834   11.890   0.9145 -0.6802000 1.271000 
1 1 1    8   10   24 o   10.950   0.6657   10.920   0.9098   10.980   0.9720 -0.5298000E-01 1.331000 
1 1 1    8   10   25 o   7.1340   1.0440   7.1590   1.3730   7.1080   1.5730 0.5098000E-01 2.088000 
1 1 1    8   10   26 o   19.560   0.4211   19.290   0.5735   19.830   0.6169 -0.5362000 0.8423000 
1 1 1    8   10   27 o   11.040   0.7241   10.880   0.9829   11.200   1.0640 -0.3133000 1.448000 
1 1 1    8   10   28 o   8.0580   1.2660   8.6250   1.4430   7.4910   2.0810 1.134000 2.533000 
1 1 1    8   10   29 o   10.410   1.1740   10.960   1.5440   9.8620   1.7700 1.094000 2.349000 
1 1 1    8   10   30 o   2.5490   0.8975   2.2900   1.1550   2.8070   1.3740 -0.5167000 1.795000 
1 1 1    8   10   31 o   4.0030   1.2160   4.7650   1.8830   3.2400   1.5400 1.525000 2.433000 
1 1 1    8   10   32 o   4.7420   1.3360   4.6970   1.8540   4.7870   1.9230 -0.8990000E-01 2.672000 
1 1 1    8   10   33 o   5.0340   1.5520   4.4140   2.0120   5.6540   2.3640 -1.241000 3.104000 
1 1 1    8   10   34 o   2.4850   0.8819   2.7220   1.3460   2.2470   1.1400 0.4747000 1.764000 
1 1 1    8   10   35 o   2.3420   0.8353   2.3390   1.1800   2.3440   1.1820 -0.5136000E-02 1.671000 
1 1 1    8   12    0 o   26.440   0.2627   26.230   0.3727   26.650   0.3702 -0.4280000 0.5253000 
1 1 1    8   12    1 o   22.480   0.2759   22.850   0.3876   22.100   0.3928 0.7501000 0.5519000 
1 1 1    8   12    2 o   22.860   0.2796   22.630   0.3922   23.100   0.3986 -0.4696000 0.5592000 
1 1 1    8   12    3 o   36.050   0.2847   36.420   0.4022   35.680   0.4031 0.7406000 0.5695000 
1 1 1    8   12    4 o   92.240   0.5891   91.860   0.8296   92.620   0.8367 -0.7612000 1.178000 
1 1 1    8   12    5 o   18.290   0.3272   18.310   0.4536   18.260   0.4716 0.5764000E-01 0.6543000 
1 1 1    8   12    6 o   44.440   0.3227   44.590   0.4560   44.300   0.4568 0.2838000 0.6454000 
1 1 1    8   12    7 o   61.300   0.4086   61.310   0.5769   61.300   0.5788 0.1225000E-01 0.8172000 
1 1 1    8   12    8 o   61.170   0.4099   61.450   0.5815   60.890   0.5780 0.5621000 0.8199000 
1 1 1    8   12    9 o   48.310   0.3473   48.440   0.4917   48.190   0.4906 0.2518000 0.6946000 
1 1 1    8   12   10 o   24.350   0.3278   24.230   0.4574   24.480   0.4696 -0.2468000 0.6555000 
1 1 1    8   12   11 o   32.040   0.3713   31.450   0.5188   32.630   0.5312 -1.185000 0.7425000 
1 1 1    8   12   12 o   31.030   0.3615   30.900   0.5070   31.170   0.5155 -0.2669000 0.7230000 
1 1 1    8   12   13 o   16.110   0.6838   16.550   0.9451   15.670   0.9885 0.8835000 1.368000 
1 1 1    8   12   14 o   17.890   0.5842   18.220   0.8203   17.550   0.8321 0.6639000 1.168000 
1 1 1    8   12   15 o   24.110   0.3905   23.580   0.5520   24.640   0.5524 -1.055000 0.7809000 
1 1 1    8   12   16 o   22.060   0.4265   22.280   0.6053   21.840   0.6010 0.4403000 0.8530000 
1 1 1    8   12   17 o   9.3190   0.8963   9.4390   1.1790   9.1990   1.3500 0.2398000 1.793000 
1 1 1    8   12   18 o   10.820   0.8652   10.540   1.2550   11.090   1.1910 -0.5538000 1.730000 
1 1 1    8   12   19 o   21.040   0.6063   20.700   0.8301   21.380   0.8840 -0.6847000 1.213000 
1 1 1    8   12   20 o   19.470   0.5071   20.480   0.6528   18.450   0.7761 2.026000 1.014000 
1 1 1    8   12   21 o   13.230   0.5750   12.710   0.8217   13.760   0.8046 -1.051000 1.150000 
1 1 1    8   12   22 o   3.3010   1.0470   3.1030   1.4160   3.4990   1.5430 -0.3964000 2.095000 
1 1 1    8   12   23 o   6.9050   1.0510   6.9390   1.4520   6.8710   1.5210 0.6767000E-01 2.103000 
1 1 1    8   12   24 o   4.2200   1.1600   3.7710   1.5670   4.6700   1.7110 -0.8990000 2.320000 
1 1 1    8   12   25 o   3.3610   1.0570   3.0450   1.3960   3.6760   1.5870 -0.6312000 2.113000 
1 1 1    8   12   26 o   12.490   0.6338   12.950   0.8222   12.020   0.9648 0.9385000 1.268000 
1 1 1    8   12   27 o   9.2890   0.9435   8.4350   1.3220   10.140   1.3460 -1.707000 1.887000 
1 1 1    8   12   28 o   12.820   0.9649   11.270   1.5050   14.370   1.2070 -3.097000 1.930000 
1 1 1    8   12   29 o   4.6640   1.2860   4.6480   1.7680   4.6800   1.8670 -0.3280000E-01 2.571000 
1 1 1    8   12   30 o   5.3760   1.3850   5.5480   1.9420   5.2050   1.9760 0.3435000 2.770000 
1 1 1    8   12   31 o   5.1900   1.3040   3.7420   1.6870   6.6380   1.9890 -2.896000 2.609000 
1 1 1    8   12   32 o   4.3290   1.4150   3.7800   1.7930   4.8780   2.1890 -1.098000 2.830000 
1 1 1    8   12   33 o   2.9700   1.0210   3.1730   1.5180   2.7670   1.3650 0.4058000 2.041000 
1 1 1    8   12   34 o   2.9350   1.0100   2.8380   1.3900   3.0330   1.4670 -0.1947000 2.021000 
1 1 1    8   14    0 o   64.400   0.4243   64.360   0.5997   64.440   0.6004 -0.8261000E-01 0.8487000 
1 1 1    8   14    1 o   19.650   0.3383   20.510   0.4662   18.790   0.4904 1.711000 0.6766000 
1 1 1    8   14    2 o   79.680   0.5142   80.020   0.7297   79.340   0.7246 0.6831000 1.028000 
1 1 1    8   14    3 o   31.630   0.2972   32.040   0.4183   31.220   0.4222 0.8217000 0.5944000 
1 1 1    8   14    4 o   21.680   0.3411   22.170   0.4696   21.200   0.4949 0.9622000 0.6823000 
1 1 1    8   14    5 o   83.930   0.5419   84.370   0.7690   83.490   0.7636 0.8783000 1.084000 
1 1 1    8   14    6 o   31.200   0.3357   31.100   0.4971   31.310   0.4513 -0.2155000 0.6714000 
1 1 1    8   14    7 o   36.030   0.3173   36.180   0.4455   35.870   0.4518 0.3033000 0.6345000 
1 1 1    8   14    8 o   35.440   0.3259   35.830   0.4616   35.040   0.4601 0.7898000 0.6517000 
1 1 1    8   14    9 f   22.220   0.4205   22.450   0.5873   22.000   0.6019 0.4502000 0.8409000 
1 1 1    8   14   10 o   50.620   0.4257   50.800   0.6013   50.450   0.6028 0.3500000 0.8514000 
1 1 1    8   14   11 o   33.140   0.4559   33.160   0.6117   33.130   0.6763 0.3358000E-01 0.9119000 
1 1 1    8   14   12 o   25.940   0.4788   26.250   0.6816   25.630   0.6726 0.6218000 0.9576000 
1 1 1    8   14   13 o   29.760   0.3670   29.360   0.5174   30.150   0.5207 -0.7903000 0.7340000 
1 1 1    8   14   14 f   14.240   0.6182   13.940   0.8568   14.540   0.8914 -0.6079000 1.236000 
1 1 1    8   14   15 o   29.150   0.3692   29.100   0.5149   29.200   0.5293 -0.1036000 0.7384000 
1 1 1    8   14   16 o   4.2660   1.2220   4.2610   1.7070   4.2720   1.7490 -0.1082000E-01 2.444000 
1 1 1    8   14   17 o   3.8800   1.1930   3.5230   1.6000   4.2370   1.7700 -0.7139000 2.385000 
1 1 1    8   14   18 o   15.510   0.6453   16.090   0.8124   14.930   1.0030 1.170000 1.291000 
1 1 1    8   14   19 o   9.5210   0.8226   9.0660   1.1910   9.9750   1.1350 -0.9092000 1.645000 
1 1 1    8   14   20 o   2.7450   0.9275   2.9910   1.3860   2.5000   1.2330 0.4905000 1.855000 
1 1 1    8   14   21 o   8.3150   0.9047   7.9510   1.3220   8.6800   1.2350 -0.7296000 1.809000 
1 1 1    8   14   22 o   3.1950   1.0310   2.9710   1.3840   3.4200   1.5300 -0.4496000 2.063000 
1 1 1    8   14   23 o   3.6520   1.1210   3.4670   1.5240   3.8370   1.6430 -0.3701000 2.241000 
1 1 1    8   14   24 o   8.3640   0.9392   7.6420   1.4010   9.0870   1.2510 -1.445000 1.878000 
1 1 1    8   14   25 f   9.4810   0.8547   8.5360   1.2700   10.430   1.1440 -1.890000 1.709000 
1 1 1    8   14   26 o   5.2050   1.2980   4.5230   1.7330   5.8870   1.9320 -1.363000 2.595000 
1 1 1    8   14   27 o   8.5160   1.3780   8.9980   1.8160   8.0330   2.0720 0.9654000 2.755000 
1 1 1    8   14   28 o   5.0110   1.2600   5.9460   1.8030   4.0760   1.7600 1.871000 2.520000 
1 1 1    8   14   29 o   2.8530   0.9833   3.1670   1.4990   2.5380   1.2730 0.6283000 1.967000 
1 1 1    8   14   30 o   3.3130   1.1050   3.3330   1.5630   3.2940   1.5640 0.3924000E-01 2.211000 
1 1 1    8   14   31 f   3.9500   1.3210   4.3690   1.9950   3.5310   1.7310 0.8382000 2.642000 
1 1 1    8   14   32 o   2.9000   0.9963   3.3420   1.5640   2.4580   1.2350 0.8837000 1.993000 
1 1 1    8   14   33 o   2.3510   0.8374   2.5450   1.2650   2.1570   1.0980 0.3883000 1.675000 
1 1 1    8   16    0 o   9.0100   0.8057   8.3430   1.2230   9.6770   1.0490 -1.334000 1.611000 
1 1 1    8   16    1 o   48.940   0.3542   48.990   0.5007   48.890   0.5012 0.9881000E-01 0.7085000 
1 1 1    8   16    2 o   47.330   0.3498   47.710   0.4965   46.950   0.4929 0.7674000 0.6996000 
1 1 1    8   16    3 o   14.610   0.5352   14.430   0.7540   14.800   0.7596 -0.3770000 1.070000 
1 1 1    8   16    4 o   89.810   0.6712   89.770   0.9479   89.860   0.9506 -0.9721000E-01 1.342000 
1 1 1    8   16    5 o   79.510   0.6007   79.660   0.8506   79.370   0.8483 0.2930000 1.201000 
1 1 1    8   16    6 o   24.570   0.4333   24.180   0.6120   24.960   0.6135 -0.7867000 0.8666000 
1 1 1    8   16    7 o   5.5870   1.3610   5.8720   1.9310   5.3020   1.9180 0.5691000 2.721000 
1 1 1    8   16    8 f   48.230   0.4071   48.180   0.5256   48.290   0.6219 -0.1091000 0.8143000 
1 1 1    8   16    9 o   39.030   0.4289   38.900   0.6135   39.160   0.5996 -0.2603000 0.8578000 
1 1 1    8   16   10 o   50.000   0.4528   50.200   0.6435   49.810   0.6372 0.3966000 0.9056000 
1 1 1    8   16   11 o   23.970   0.4311   23.800   0.6083   24.140   0.6110 -0.3365000 0.8622000 
1 1 1    8   16   12 o   43.920   0.3718   44.370   0.5279   43.470   0.5236 0.8982000 0.7435000 
1 1 1    8   16   13 o   29.770   0.3769   29.970   0.5267   29.560   0.5394 0.4019000 0.7539000 
1 1 1    8   16   14 o   5.0110   1.2790   4.7680   1.7730   5.2540   1.8450 -0.4867000 2.559000 
1 1 1    8   16   15 o   16.310   0.6095   17.580   0.8133   15.030   0.9082 2.551000 1.219000 
1 1 1    8   16   16 o   22.860   0.5886   22.890   0.7957   22.820   0.8675 0.7635000E-01 1.177000 
1 1 1    8   16   17 o   16.480   0.5966   16.760   0.7625   16.210   0.9178 0.5578000 1.193000 
1 1 1    8   16   18 o   16.810   0.4843   17.160   0.6522   16.460   0.7163 0.7054000 0.9687000 
1 1 1    8   16   19 o   3.5470   1.0920   4.0020   1.6330   3.0920   1.4510 0.9100000 2.185000 
1 1 1    8   16   20 o   4.7870   1.1910   4.0920   1.6340   5.4810   1.7340 -1.389000 2.382000 
1 1 1    8   16   21 o   9.3080   0.8637   8.4940   1.2760   10.120   1.1640 -1.628000 1.727000 
1 1 1    8   16   22 o   14.840   0.5488   14.880   0.7472   14.800   0.8039 0.8854000E-01 1.098000 
1 1 1    8   16   23 o   7.9120   1.0460   7.5350   1.4800   8.2880   1.4790 -0.7527000 2.092000 
1 1 1    8   16   24 o   16.160   0.5407   16.760   0.6991   15.560   0.8251 1.204000 1.081000 
1 1 1    8   16   25 o   4.6520   1.2640   5.5960   1.8790   3.7080   1.6910 1.888000 2.527000 
1 1 1    8   16   26 f   13.360   0.9393   12.380   1.4020   14.340   1.2510 -1.956000 1.879000 
1 1 1    8   16   27 o   4.5280   1.2620   3.7270   1.6400   5.3290   1.9180 -1.602000 2.524000 
1 1 1    8   16   28 o   3.6880   1.1580   4.3850   1.8000   2.9900   1.4570 1.395000 2.316000 
1 1 1    8   16   29 o   8.2080   1.2140   7.9460   1.7220   8.4690   1.7130 -0.5228000 2.429000 
1 1 1    8   16   30 o   5.4580   1.5540   6.6250   2.3640   4.2910   2.0180 2.334000 3.108000 
1 1 1    8   16   31 o   4.1370   1.2600   3.8310   1.7100   4.4430   1.8510 -0.6119000 2.521000 
1 1 1    8   16   32 f   2.1850   0.7846   2.2340   1.1310   2.1350   1.0870 0.9932000E-01 1.569000 
1 1 1    8   18    0 o   23.290   0.4142   23.340   0.5822   23.250   0.5892 0.9030000E-01 0.8284000 
1 1 1    8   18    1 o   51.690   0.3823   51.970   0.5418   51.410   0.5394 0.5601000 0.7646000 
1 1 1    8   18    2 o   20.700   0.4577   19.900   0.6657   21.500   0.6283 -1.603000 0.9153000 
1 1 1    8   18    3 o   37.760   0.3859   38.150   0.4994   37.370   0.5884 0.7862000 0.7718000 
1 1 1    8   18    4 f   55.870   0.4684   55.750   0.6601   56.000   0.6646 -0.2494000 0.9367000 
1 1 1    8   18    5 o   31.930   0.4364   32.010   0.6127   31.850   0.6215 0.1600000 0.8727000 
1 1 1    8   18    6 o   29.840   0.4497   30.570   0.6262   29.110   0.6457 1.453000 0.8995000 
1 1 1    8   18    7 o   45.890   0.3756   46.270   0.5271   45.500   0.5353 0.7675000 0.7512000 
1 1 1    8   18    8 o   6.8410   1.2630   5.6420   1.8570   8.0400   1.7130 -2.398000 2.527000 
1 1 1    8   18    9 o   11.240   0.8309   11.840   1.0390   10.640   1.2970 1.204000 1.662000 
1 1 1    8   18   10 o   9.3480   1.0090   9.1320   1.4560   9.5630   1.3960 -0.4311000 2.017000 
1 1 1    8   18   11 o   41.850   0.3655   41.670   0.5140   42.020   0.5198 -0.3507000 0.7310000 
1 1 1    8   18   12 o   8.6580   1.1860   7.9050   1.7920   9.4100   1.5520 -1.505000 2.371000 
1 1 1    8   18   13 o   8.9650   1.1250   6.4420   1.9090   11.490   1.1900 -5.045000 2.250000 
1 1 1    8   18   14 o   28.500   0.4482   29.370   0.5889   27.620   0.6758 1.751000 0.8964000 
1 1 1    8   18   15 o   20.890   0.5119   21.660   0.6509   20.130   0.7902 1.536000 1.024000 
1 1 1    8   18   16 o   7.1200   1.1290   7.7470   1.4680   6.4930   1.7170 1.254000 2.259000 
1 1 1    8   18   17 o   4.3820   1.2080   4.2410   1.6750   4.5240   1.7410 -0.2830000 2.416000 
1 1 1    8   18   18 o   10.860   0.7147   10.530   1.0040   11.180   1.0180 -0.6426000 1.429000 
1 1 1    8   18   19 o   4.0470   1.1520   3.3390   1.5030   4.7550   1.7460 -1.416000 2.304000 
1 1 1    8   18   20 o   9.1410   0.9384   10.530   1.0300   7.7560   1.5690 2.771000 1.877000 
1 1 1    8   18   21 o   7.4100   1.1780   9.5540   1.4860   5.2670   1.8290 4.286000 2.356000 
1 1 1    8   18   22 o   5.3030   1.2180   6.4360   1.7120   4.1710   1.7330 2.265000 2.436000 
1 1 1    8   18   23 o   11.940   0.7885   13.580   0.8962   10.300   1.2980 3.282000 1.577000 
1 1 1    8   18   24 o   4.4680   1.3560   3.5550   1.6900   5.3810   2.1220 -1.825000 2.713000 
1 1 1    8   18   25 o   9.4610   1.1800   10.240   1.5240   8.6840   1.8010 1.555000 2.359000 
1 1 1    8   18   26 o   9.5990   1.0350   10.110   1.2880   9.0850   1.6210 1.027000 2.071000 
1 1 1    8   18   27 o   3.1490   1.0620   2.7340   1.3460   3.5630   1.6420 -0.8290000 2.123000 
1 1 1    8   18   28 o   4.5880   1.2930   5.4360   1.9480   3.7410   1.7000 1.694000 2.586000 
1 1 1    8   18   29 o   3.8990   1.3180   3.5400   1.7140   4.2580   2.0030 -0.7188000 2.636000 
1 1 1    8   18   30 o   3.1210   1.0450   3.5700   1.6190   2.6720   1.3220 0.8973000 2.091000 
1 1 1    8   18   31 o   2.1870   0.7848   2.1910   1.1100   2.1830   1.1100 0.7108000E-02 1.570000 
1 1 1    8   20    0 o   21.960   0.4401   22.320   0.6094   21.590   0.6350 0.7306000 0.8801000 
1 1 1    8   20    1 o   11.180   0.8055   11.070   1.1470   11.290   1.1320 -0.2220000 1.611000 
1 1 1    8   20    2 o   24.640   0.4394   25.710   0.6486   23.570   0.5930 2.136000 0.8789000 
1 1 1    8   20    3 o   18.300   0.5113   18.230   0.7198   18.380   0.7264 -0.1454000 1.023000 
1 1 1    8   20    4 o   43.580   0.3655   44.020   0.5125   43.130   0.5213 0.8899000 0.7311000 
1 1 1    8   20    5 o   26.930   0.3908   27.030   0.5390   26.840   0.5659 0.1875000 0.7815000 
1 1 1    8   20    6 o   39.270   0.3592   39.380   0.5003   39.150   0.5156 0.2277000 0.7184000 
1 1 1    8   20    7 o   28.220   0.3800   28.350   0.5237   28.080   0.5507 0.2668000 0.7599000 
1 1 1    8   20    8 o   18.300   0.5616   18.190   0.7771   18.400   0.8110 -0.2104000 1.123000 
1 1 1    8   20    9 o   18.230   0.5581   18.780   0.7388   17.670   0.8368 1.116000 1.116000 
1 1 1    8   20   10 f   31.910   0.4135   31.700   0.5723   32.120   0.5970 -0.4215000 0.8270000 
1 1 1    8   20   11 o   12.870   0.8244   14.770   0.8439   10.970   1.4160 3.804000 1.649000 
1 1 1    8   20   12 f   11.070   0.9104   11.510   1.1110   10.640   1.4430 0.8691000 1.821000 
1 1 1    8   20   13 o   4.9890   1.2430   5.6670   1.7620   4.3110   1.7530 1.357000 2.485000 
1 1 1    8   20   14 o   14.680   0.5779   15.230   0.7726   14.130   0.8598 1.103000 1.156000 
1 1 1    8   20   15 o   20.590   0.4350   20.690   0.6000   20.480   0.6301 0.2056000 0.8701000 
1 1 1    8   20   16 o   11.720   0.7011   11.200   1.0170   12.240   0.9655 -1.039000 1.402000 
1 1 1    8   20   17 o   26.750   0.3727   27.120   0.5238   26.370   0.5303 0.7530000 0.7454000 
1 1 1    8   20   18 o   7.9180   1.0600   8.8470   1.2980   6.9890   1.6760 1.859000 2.120000 
1 1 1    8   20   19 o   12.180   0.6881   12.180   0.9736   12.180   0.9727 0.3080000E-03 1.376000 
1 1 1    8   20   20 o   11.350   0.7444   10.660   1.0800   12.050   1.0250 -1.392000 1.489000 
1 1 1    8   20   21 o   8.2310   1.0820   7.7660   1.5520   8.6950   1.5080 -0.9288000 2.164000 
1 1 1    8   20   22 o   7.8440   1.2810   7.8180   1.7060   7.8710   1.9100 -0.5324000E-01 2.562000 
1 1 1    8   20   23 o   9.8040   1.2790   10.450   1.7750   9.1620   1.8410 1.285000 2.557000 
1 1 1    8   20   24 o   4.1480   1.2600   4.2270   1.7890   4.0690   1.7750 0.1580000 2.520000 
1 1 1    8   20   25 o   6.4300   1.3180   7.6800   1.7640   5.1800   1.9590 2.500000 2.636000 
1 1 1    8   20   26 f   3.5170   1.1460   3.0810   1.4780   3.9530   1.7530 -0.8719000 2.293000 
1 1 1    8   20   27 o   3.8850   1.2620   3.9880   1.7960   3.7820   1.7750 0.2064000 2.525000 
1 1 1    8   20   28 o   2.8340   1.0150   2.6750   1.3580   2.9940   1.5090 -0.3187000 2.030000 
1 1 1    8   20   29 o   2.4610   0.8729   2.3820   1.1970   2.5390   1.2710 -0.1571000 1.746000 
1 1 1    8   20   30 o   2.5940   0.9391   2.7770   1.4030   2.4100   1.2490 0.3674000 1.878000 
1 1 1    8   22    0 o   32.490   0.3995   32.970   0.5567   32.010   0.5732 0.9545000 0.7990000 
1 1 1    8   22    1 o   16.240   0.6139   16.910   0.8275   15.570   0.9071 1.335000 1.228000 
1 1 1    8   22    2 o   13.390   0.7245   13.290   1.0080   13.500   1.0410 -0.2074000 1.449000 
1 1 1    8   22    3 o   33.050   0.4026   33.020   0.5659   33.070   0.5727 -0.5337000E-01 0.8051000 
1 1 1    8   22    4 o   28.590   0.4192   29.110   0.5803   28.060   0.6051 1.044000 0.8384000 
1 1 1    8   22    5 o   15.310   0.5712   15.340   0.7749   15.270   0.8393 0.7474000E-01 1.142000 
1 1 1    8   22    6 o   5.5200   1.2970   5.2900   1.7960   5.7500   1.8710 -0.4594000 2.593000 
1 1 1    8   22    7 o   22.380   0.4728   21.940   0.6294   22.820   0.7058 -0.8829000 0.9456000 
1 1 1    8   22    8 o   15.550   0.6391   15.050   0.8419   16.050   0.9617 -0.9946000 1.278000 
1 1 1    8   22    9 o   25.080   0.4483   26.110   0.5712   24.060   0.6910 2.051000 0.8965000 
1 1 1    8   22   10 o   20.890   0.4273   21.470   0.5710   20.320   0.6357 1.154000 0.8545000 
1 1 1    8   22   11 o   11.790   0.6902   11.480   0.9534   12.090   0.9983 -0.6130000 1.380000 
1 1 1    8   22   12 o   8.2830   1.0270   9.8920   1.0950   6.6750   1.7390 3.217000 2.055000 
1 1 1    8   22   13 o   8.8770   1.0510   6.1690   1.8250   11.590   1.0430 -5.416000 2.102000 
1 1 1    8   22   14 o   10.730   0.7906   11.390   1.0150   10.060   1.2130 1.333000 1.581000 
1 1 1    8   22   15 o   12.020   0.7051   12.670   0.9162   11.380   1.0720 1.289000 1.410000 
1 1 1    8   22   16 o   13.500   0.6441   13.210   0.9137   13.780   0.9080 -0.5644000 1.288000 
1 1 1    8   22   17 o   14.190   0.6195   14.320   0.8566   14.070   0.8952 0.2467000 1.239000 
1 1 1    8   22   18 o   4.4810   1.2350   3.8480   1.6570   5.1130   1.8330 -1.265000 2.471000 
1 1 1    8   22   19 o   9.1580   0.9968   9.2680   1.3380   9.0480   1.4780 0.2201000 1.994000 
1 1 1    8   22   20 o   6.5480   1.1990   8.9580   1.5660   4.1390   1.8180 4.819000 2.399000 
1 1 1    8   22   21 o   5.9440   1.5400   5.9630   2.2240   5.9240   2.1320 0.3864000E-01 3.081000 
1 1 1    8   22   22 o   4.3120   1.2470   3.2200   1.5240   5.4050   1.9740 -2.184000 2.494000 
1 1 1    8   22   23 o   4.1090   1.2630   4.1930   1.7920   4.0250   1.7820 0.1680000 2.527000 
1 1 1    8   22   24 o   4.4510   1.1890   6.0770   1.9280   2.8240   1.3920 3.253000 2.378000 
1 1 1    8   22   25 o   3.6220   1.1770   3.9170   1.7410   3.3260   1.5850 0.5908000 2.355000 
1 1 1    8   22   26 o   3.1880   1.1250   3.1050   1.5480   3.2720   1.6340 -0.1674000 2.250000 
1 1 1    8   22   27 o   3.1250   1.0700   2.2970   1.1680   3.9520   1.7930 -1.655000 2.140000 
1 1 1    8   22   28 o   2.4070   0.8524   2.5290   1.2530   2.2860   1.1560 0.2429000 1.705000 
1 1 1    8   24    0 o   14.200   0.6421   14.610   0.8537   13.790   0.9595 0.8155000 1.284000 
1 1 1    8   24    1 o   7.2080   1.2000   7.6570   1.6010   6.7590   1.7890 0.8975000 2.401000 
1 1 1    8   24    2 o   13.510   0.6751   13.040   0.9699   13.980   0.9393 -0.9368000 1.350000 
1 1 1    8   24    3 o   15.240   0.7140   16.160   0.7855   14.310   1.1930 1.855000 1.428000 
1 1 1    8   24    4 o   6.8890   1.1760   5.6910   1.7430   8.0870   1.5780 -2.396000 2.352000 
1 1 1    8   24    5 o   23.130   0.4052   23.080   0.5514   23.180   0.5939 -0.1005000 0.8104000 
1 1 1    8   24    6 o   14.730   0.5713   14.720   0.7763   14.740   0.8383 -0.1340000E-01 1.143000 
1 1 1    8   24    7 o   7.4920   1.0990   7.0120   1.5700   7.9720   1.5370 -0.9596000 2.197000 
1 1 1    8   24    8 o   9.7670   0.9072   11.300   0.9929   8.2310   1.5190 3.071000 1.814000 
1 1 1    8   24    9 o   8.7040   0.9512   8.2430   1.3650   9.1660   1.3250 -0.9227000 1.902000 
1 1 1    8   24   10 o   6.7780   1.1630   8.1340   1.4200   5.4220   1.8430 2.712000 2.327000 
1 1 1    8   24   11 o   5.7610   1.2330   6.7010   1.6640   4.8210   1.8190 1.880000 2.465000 
1 1 1    8   24   12 o   10.020   0.8593   10.900   1.0440   9.1470   1.3650 1.749000 1.719000 
1 1 1    8   24   13 o   15.680   0.5629   16.600   0.7207   14.760   0.8648 1.841000 1.126000 
1 1 1    8   24   14 o   7.0490   1.1670   8.6250   1.4110   5.4720   1.8600 3.154000 2.335000 
1 1 1    8   24   15 o   7.1820   1.2600   6.5790   1.8900   7.7850   1.6670 -1.205000 2.520000 
1 1 1    8   24   16 o   3.6640   1.1560   3.7230   1.6390   3.6040   1.6290 0.1192000 2.311000 
1 1 1    8   24   17 o   7.3990   1.3220   6.2970   1.9570   8.5010   1.7790 -2.204000 2.644000 
1 1 1    8   24   18 o   4.6580   1.4500   5.0820   2.1550   4.2330   1.9410 0.8491000 2.901000 
1 1 1    8   24   19 o   4.2360   1.3180   5.0740   2.0700   3.3980   1.6310 1.676000 2.636000 
1 1 1    8   24   20 o   4.5210   1.2660   3.3930   1.5920   5.6500   1.9700 -2.257000 2.533000 
1 1 1    8   24   21 o   4.7000   1.3010   3.6070   1.6580   5.7940   2.0040 -2.187000 2.601000 
1 1 1    8   24   22 o   4.9260   1.2330   3.0770   1.4870   6.7760   1.9680 -3.699000 2.467000 
1 1 1    8   24   23 o   4.4490   1.3080   4.2590   1.8200   4.6390   1.8790 -0.3797000 2.615000 
1 1 1    8   24   24 o   3.2880   1.1520   3.5440   1.7250   3.0330   1.5270 0.5107000 2.304000 
1 1 1    8   24   25 f   4.0570   1.2850   3.6910   1.7080   4.4220   1.9190 -0.7311000 2.569000 
1 1 1    8   24   26 o   2.8220   0.9757   3.2310   1.5270   2.4130   1.2150 0.8177000 1.951000 
1 1 1    8   26    0 o   4.1200   1.1860   4.0420   1.6570   4.1980   1.6960 -0.1558000 2.371000 
1 1 1    8   26    1 o   15.920   0.5148   15.700   0.7311   16.140   0.7250 -0.4340000 1.030000 
1 1 1    8   26    2 f   9.4850   0.8570   9.0020   1.2640   9.9680   1.1580 -0.9665000 1.714000 
1 1 1    8   26    3 f   17.570   0.5382   17.830   0.6733   17.320   0.8399 0.5135000 1.076000 
1 1 1    8   26    4 o   7.8390   1.1120   7.3160   1.5890   8.3610   1.5550 -1.045000 2.223000 
1 1 1    8   26    5 o   11.100   0.7783   10.980   1.0540   11.220   1.1450 -0.2441000 1.557000 
1 1 1    8   26    6 o   4.2480   1.2320   4.0900   1.6880   4.4060   1.7950 -0.3156000 2.464000 
1 1 1    8   26    7 o   22.240   0.4312   21.980   0.5870   22.500   0.6319 -0.5199000 0.8625000 
1 1 1    8   26    8 o   9.4960   0.9324   9.9850   1.1750   9.0070   1.4480 0.9784000 1.865000 
1 1 1    8   26    9 o   11.930   0.7140   11.650   0.9975   12.210   1.0220 -0.5575000 1.428000 
1 1 1    8   26   10 o   7.8760   1.1040   9.8840   1.1830   5.8680   1.8640 4.016000 2.208000 
1 1 1    8   26   11 o   10.050   0.8788   9.3650   1.2770   10.740   1.2080 -1.373000 1.758000 
1 1 1    8   26   12 o   7.6350   1.2000   7.1100   1.7470   8.1610   1.6470 -1.051000 2.401000 
1 1 1    8   26   13 o   8.9430   1.1750   8.6700   1.6870   9.2160   1.6370 -0.5458000 2.350000 
1 1 1    8   26   14 o   17.980   0.6104   18.470   0.8383   17.480   0.8876 0.9990000 1.221000 
1 1 1    8   26   15 o   9.4620   1.1640   9.1140   1.7440   9.8100   1.5420 -0.6957000 2.328000 
1 1 1    8   26   16 o   10.720   1.1070   10.840   1.5550   10.590   1.5780 0.2508000 2.215000 
1 1 1    8   26   17 o   5.5550   1.5560   6.6120   2.4060   4.4980   1.9740 2.113000 3.112000 
1 1 1    8   26   18 o   3.6110   1.1590   4.4580   1.8720   2.7650   1.3660 1.694000 2.317000 
1 1 1    8   26   19 o   4.3490   1.2940   3.7710   1.7150   4.9270   1.9380 -1.156000 2.588000 
1 1 1    8   26   20 o   4.1050   1.2640   4.3160   1.8310   3.8950   1.7440 0.4212000 2.529000 
1 1 1    8   26   21 o   5.5260   1.4760   6.4460   2.1970   4.6060   1.9720 1.840000 2.952000 
1 1 1    8   26   22 o   3.1330   1.1030   3.2160   1.5920   3.0500   1.5280 0.1660000 2.206000 
1 1 1    8   26   23 o   2.5090   0.8982   2.2780   1.1600   2.7400   1.3710 -0.4622000 1.796000 
1 1 1    8   26   24 o   2.9530   1.0100   2.6630   1.3140   3.2440   1.5350 -0.5802000 2.020000 
1 1 1    8   28    0 o   5.2070   1.2500   3.8950   1.7940   6.5180   1.7430 -2.623000 2.501000 
1 1 1    8   28    1 o   13.670   0.7714   13.940   1.2490   13.410   0.9057 0.5269000 1.543000 
1 1 1    8   28    2 o   4.7390   1.3510   5.6890   2.1360   3.7900   1.6560 1.899000 2.702000 
1 1 1    8   28    3 o   18.770   0.6159   20.040   0.9467   17.500   0.7882 2.539000 1.232000 
1 1 1    8   28    4 o   9.0650   1.1450   10.130   1.5210   8.0030   1.7130 2.124000 2.291000 
1 1 1    8   28    5 o   7.1370   1.1350   9.6370   1.3080   4.6370   1.8550 5.000000 2.270000 
1 1 1    8   28    6 o   9.4320   0.9886   9.9060   1.2440   8.9590   1.5360 0.9474000 1.977000 
1 1 1    8   28    7 o   4.7180   1.3050   4.0730   1.7250   5.3630   1.9580 -1.289000 2.609000 
1 1 1    8   28    8 o   4.3660   1.2660   5.3610   1.9590   3.3720   1.6040 1.990000 2.532000 
1 1 1    8   28    9 o   7.4700   1.3050   9.2750   1.6230   5.6650   2.0450 3.609000 2.611000 
1 1 1    8   28   10 o   6.5730   1.3960   7.5510   1.9270   5.5940   2.0210 1.956000 2.792000 
1 1 1    8   28   11 f   7.1120   1.3040   6.6700   1.9130   7.5550   1.7720 -0.8852000 2.607000 
1 1 1    8   28   12 o   12.830   0.9394   14.520   1.1450   11.130   1.4900 3.390000 1.879000 
1 1 1    8   28   13 o   4.4680   1.3760   4.2540   1.8980   4.6820   1.9930 -0.4274000 2.753000 
1 1 1    8   28   14 o   3.2520   1.0960   3.2360   1.5430   3.2680   1.5580 -0.3227000E-01 2.192000 
1 1 1    8   28   15 o   3.8530   1.2260   3.7030   1.6890   4.0030   1.7770 -0.3001000 2.452000 
1 1 1    8   28   16 o   4.3890   1.3110   4.5370   1.8650   4.2420   1.8430 0.2952000 2.622000 
1 1 1    8   28   17 o   5.3610   1.3580   6.1560   1.9550   4.5650   1.8860 1.591000 2.716000 
1 1 1    8   28   18 o   4.7520   1.4090   4.8670   2.0090   4.6370   1.9770 0.2293000 2.818000 
1 1 1    8   28   19 o   2.7890   0.9855   2.7490   1.3750   2.8300   1.4120 -0.8076000E-01 1.971000 
1 1 1    8   28   20 o   3.3710   1.1360   2.9390   1.4460   3.8040   1.7520 -0.8649000 2.271000 
1 1 1    8   28   21 o   2.7770   0.9629   2.9810   1.4390   2.5730   1.2800 0.4080000 1.926000 
1 1 1    8   28   22 o   1.1280   0.4165   1.1410   0.5960   1.1140   0.5821 0.2655000E-01 0.8331000 
1 1 1    8   30    0 o   17.530   0.5421   17.900   0.7506   17.160   0.7823 0.7391000 1.084000 
1 1 1    8   30    1 o   13.060   0.7138   13.530   0.9584   12.590   1.0580 0.9366000 1.428000 
1 1 1    8   30    2 o   12.660   0.7494   13.100   1.0220   12.220   1.0960 0.8799000 1.499000 
1 1 1    8   30    3 o   11.070   0.9060   12.010   1.1230   10.120   1.4220 1.897000 1.812000 
1 1 1    8   30    4 o   11.390   0.8610   11.700   1.1720   11.080   1.2620 0.6216000 1.722000 
1 1 1    8   30    5 o   5.9890   1.3950   5.7000   1.9660   6.2780   1.9800 -0.5788000 2.790000 
1 1 1    8   30    6 o   8.5220   1.4590   8.2560   2.2560   8.7870   1.8520 -0.5308000 2.919000 
1 1 1    8   30    7 o   5.0140   1.4550   4.6560   2.0630   5.3710   2.0540 -0.7144000 2.911000 
1 1 1    8   30    8 o   4.9020   1.4700   5.0110   2.1600   4.7930   1.9940 0.2178000 2.940000 
1 1 1    8   30    9 o   4.3600   1.3700   4.0970   1.9090   4.6220   1.9650 -0.5255000 2.740000 
1 1 1    8   30   10 o   3.4330   1.1680   4.0190   1.8740   2.8480   1.3930 1.171000 2.335000 
1 1 1    8   30   11 o   4.5270   1.3840   4.8310   2.0930   4.2230   1.8120 0.6086000 2.769000 
1 1 1    8   30   12 o   5.4870   1.4160   4.5480   2.0320   6.4260   1.9710 -1.878000 2.831000 
1 1 1    8   30   13 o   7.6930   1.4300   9.9590   2.0400   5.4270   2.0060 4.531000 2.861000 
1 1 1    8   30   14 o   5.9450   1.6120   5.0540   2.3780   6.8350   2.1780 -1.781000 3.225000 
1 1 1    8   30   15 o   3.3560   1.1650   3.1190   1.5950   3.5940   1.6970 -0.4750000 2.329000 
1 1 1    8   30   16 o   3.6400   1.2400   3.3940   1.7200   3.8860   1.7880 -0.4924000 2.480000 
1 1 1    8   30   17 o   3.2890   1.1310   3.3680   1.6480   3.2100   1.5480 0.1583000 2.261000 
1 1 1    8   30   18 o   2.7870   0.9933   3.2390   1.5930   2.3350   1.1860 0.9036000 1.987000 
1 1 1    8   32    0 o   5.2570   1.3640   5.3970   1.9150   5.1160   1.9410 0.2811000 2.727000 
1 1 1    8   32    1 o   3.8070   1.2030   3.7470   1.6730   3.8670   1.7300 -0.1196000 2.406000 
1 1 1    8   32    2 o   3.9880   1.2370   3.6910   1.6550   4.2840   1.8390 -0.5928000 2.474000 
1 1 1    8   32    3 o   10.200   0.9809   10.130   1.3290   10.270   1.4430 -0.1393000 1.962000 
1 1 1    8   32    4 o   4.2190   1.2250   2.9250   1.4200   5.5130   1.9960 -2.588000 2.449000 
1 1 1    8   32    5 o   4.9800   1.3900   5.3200   2.0340   4.6390   1.8970 0.6811000 2.781000 
1 1 1    8   32    6 o   4.7400   1.3630   5.0740   1.9930   4.4060   1.8610 0.6679000 2.726000 
1 1 1    8   32    7 o   4.5190   1.2730   3.3770   1.5760   5.6620   1.9990 -2.286000 2.545000 
1 1 1    8   32    8 o   3.1620   1.0880   2.5840   1.3000   3.7390   1.7440 -1.155000 2.175000 
1 1 1    8   32    9 o   2.9000   1.0170   2.8170   1.4010   2.9830   1.4750 -0.1662000 2.034000 
1 1 1    8   32   10 o   3.1830   1.0920   3.1290   1.5240   3.2370   1.5650 -0.1085000 2.185000 
1 1 1    8   32   11 o   2.6280   0.9319   2.6430   1.3260   2.6140   1.3090 0.2977000E-01 1.864000 
1 1 1    8   32   12 o   3.1210   1.0540   3.1200   1.4890   3.1220   1.4910 -0.2475000E-02 2.108000 
1 1 1    8   32   13 o   2.1940   0.7928   2.0120   1.0330   2.3760   1.2030 -0.3647000 1.586000 
1 1 1    8   32   14 o   2.4340   0.8682   2.3290   1.1810   2.5380   1.2730 -0.2091000 1.736000 
1 1 1    8   34    0 o   3.4620   1.1230   3.0890   1.4720   3.8340   1.6970 -0.7452000 2.247000 
1 1 1    8   34    1 o   3.2610   1.0690   4.0000   1.7290   2.5220   1.2590 1.478000 2.139000 
1 1 1    8   34    2 o   3.0970   1.0530   3.0680   1.4620   3.1270   1.5170 -0.5845000E-01 2.106000 
1 1 1    8   34    3 o   3.1230   1.0500   2.8480   1.3850   3.3970   1.5790 -0.5488000 2.100000 
1 1 1    8   34    4 o   2.6060   0.9140   2.3600   1.1870   2.8520   1.3900 -0.4922000 1.828000 
1 1 1    8   34    5 o   2.8390   0.9760   3.0570   1.4570   2.6210   1.2990 0.4362000 1.952000 
1 1 1    8   34    6 o   2.7080   0.9533   2.6900   1.3390   2.7260   1.3570 -0.3576000E-01 1.907000 
1 1 1    8   34    7 o   2.2530   0.8112   2.2040   1.1240   2.3020   1.1700 -0.9833000E-01 1.622000 
1 1 1    8   34    8 f   2.3010   0.8345   2.3220   1.1990   2.2800   1.1610 0.4217000E-01 1.669000 
1 1 1    9    1    0 o   57.190   0.3610   57.340   0.5119   57.040   0.5092 0.3008000 0.7220000 
1 1 1    9    1    1 o   37.580   0.2618   37.170   0.3379   37.990   0.4000 -0.8144000 0.5236000 
1 1 1    9    1    2 o   44.610   0.3283   44.880   0.4667   44.330   0.4618 0.5451000 0.6565000 
1 1 1    9    1    3 o   36.920   0.3408   36.660   0.4788   37.180   0.4850 -0.5133000 0.6815000 
1 1 1    9    1    4 o  112.500   0.8166  113.000   1.1600  112.000   1.1500 0.9484000 1.633000 
1 1 1    9    1    5 o   20.300   0.2065   21.210   0.2873   19.390   0.2967 1.826000 0.4130000 
1 1 1    9    1    6 o   26.590   0.2176   27.030   0.2885   26.140   0.3259 0.8980000 0.4352000 
1 1 1    9    1    7 o   53.130   0.3432   53.340   0.4870   52.920   0.4836 0.4130000 0.6863000 
1 1 1    9    1    8 o   67.720   0.4997   67.930   0.7095   67.500   0.7039 0.4362000 0.9994000 
1 1 1    9    1    9 o   40.790   0.3934   40.360   0.5509   41.220   0.5618 -0.8609000 0.7868000 
1 1 1    9    1   10 o   8.5360   0.4174   9.3170   0.5337   7.7550   0.6420 1.562000 0.8349000 
1 1 1    9    1   11 o   39.010   0.2755   39.150   0.3895   38.870   0.3897 0.2826000 0.5510000 
1 1 1    9    1   12 o   39.370   0.2798   39.410   0.3952   39.320   0.3963 0.9254000E-01 0.5597000 
1 1 1    9    1   13 o   44.050   0.3065   44.160   0.4343   43.950   0.4326 0.2180000 0.6129000 
1 1 1    9    1   14 o   49.910   0.3410   50.260   0.4848   49.560   0.4795 0.6993000 0.6819000 
1 1 1    9    1   15 o   14.780   0.3887   14.470   0.5640   15.090   0.5350 -0.6210000 0.7774000 
1 1 1    9    1   16 o   25.240   0.3029   25.360   0.4223   25.130   0.4342 0.2291000 0.6057000 
1 1 1    9    1   17 o   59.130   0.5627   59.150   0.7959   59.110   0.7956 0.3338000E-01 1.125000 
1 1 1    9    1   18 o   16.920   0.6032   16.450   0.8544   17.400   0.8516 -0.9521000 1.206000 
1 1 1    9    1   19 o   32.770   0.3298   32.840   0.4543   32.710   0.4783 0.1303000 0.6597000 
1 1 1    9    1   20 o   11.090   0.7009   10.930   1.0230   11.240   0.9586 -0.3048000 1.402000 
1 1 1    9    1   21 o   16.970   0.4659   16.390   0.6758   17.560   0.6415 -1.165000 0.9318000 
1 1 1    9    1   22 o   12.100   0.9816   12.620   1.3000   11.580   1.4710 1.041000 1.963000 
1 1 1    9    1   23 o   17.170   0.4577   17.520   0.6271   16.830   0.6668 0.6901000 0.9153000 
1 1 1    9    1   24 o   26.570   0.3580   25.580   0.4797   27.560   0.5315 -1.981000 0.7160000 
1 1 1    9    1   25 o   23.370   0.3585   23.340   0.4991   23.390   0.5149 -0.4567000E-01 0.7171000 
1 1 1    9    1   26 o   6.6680   1.0860   7.4020   1.4010   5.9330   1.6600 1.469000 2.172000 
1 1 1    9    1   27 o   10.380   0.7059   10.570   0.9346   10.180   1.0580 0.3829000 1.412000 
1 1 1    9    1   28 o   12.380   0.8470   10.410   1.4360   14.350   0.8979 -3.945000 1.694000 
1 1 1    9    1   29 o   3.2270   1.0470   3.2430   1.4830   3.2110   1.4780 0.3154000E-01 2.093000 
1 1 1    9    1   30 o   5.8710   1.3920   7.1590   2.0120   4.5830   1.9250 2.576000 2.784000 
1 1 1    9    1   31 o   4.4000   1.1980   5.3300   1.8070   3.4700   1.5740 1.860000 2.396000 
1 1 1    9    1   32 o   3.4720   1.1080   4.3570   1.8040   2.5880   1.2860 1.768000 2.216000 
1 1 1    9    1   33 o   4.7760   1.3240   5.2460   1.9420   4.3070   1.8010 0.9396000 2.648000 
1 1 1    9    1   34 o   5.1000   1.5020   6.2800   2.3510   3.9190   1.8700 2.361000 3.004000 
1 1 1    9    1   35 o   3.3780   1.1250   3.2740   1.5570   3.4820   1.6230 -0.2077000 2.249000 
1 1 1    9    1   36 o   2.9170   1.0050   3.0440   1.4700   2.7910   1.3710 0.2526000 2.011000 
1 1 1    9    3    0 o   67.060   0.4886   67.050   0.6911   67.070   0.6910 -0.2681000E-01 0.9773000 
1 1 1    9    3    1 o   73.030   0.5322   73.600   0.7585   72.460   0.7467 1.147000 1.064000 
1 1 1    9    3    2 o   50.270   0.3226   50.640   0.4592   49.900   0.4533 0.7422000 0.6453000 
1 1 1    9    3    3 o  116.600   0.8466  116.900   1.2010  116.200   1.1930 0.7041000 1.693000 
1 1 1    9    3    4 o  134.100   0.8434  134.900   1.2000  133.300   1.1860 1.595000 1.687000 
1 1 1    9    3    5 o   58.930   0.3771   58.860   0.5326   59.000   0.5339 -0.1390000 0.7542000 
1 1 1    9    3    6 o   68.000   0.4333   68.100   0.6140   67.900   0.6116 0.1989000 0.8667000 
1 1 1    9    3    7 o   30.710   0.2286   30.840   0.3244   30.590   0.3222 0.2451000 0.4572000 
1 1 1    9    3    8 o   63.870   0.5808   63.500   0.8169   64.240   0.8258 -0.7431000 1.162000 
1 1 1    9    3    9 o   12.950   0.3271   12.880   0.4527   13.010   0.4723 -0.1349000 0.6543000 
1 1 1    9    3   10 o   21.050   0.2413   21.270   0.3575   20.840   0.3242 0.4301000 0.4826000 
1 1 1    9    3   11 o   19.230   0.2466   19.200   0.3470   19.260   0.3505 -0.5718000E-01 0.4932000 
1 1 1    9    3   12 o   27.720   0.2445   27.590   0.3407   27.850   0.3507 -0.2651000 0.4890000 
1 1 1    9    3   13 o   13.350   0.3618   13.570   0.5012   13.140   0.5219 0.4332000 0.7236000 
1 1 1    9    3   14 o   63.760   0.4175   63.600   0.5879   63.930   0.5928 -0.3225000 0.8349000 
1 1 1    9    3   15 f   14.060   0.4139   14.570   0.5678   13.540   0.6024 1.034000 0.8278000 
1 1 1    9    3   16 o   22.380   0.3249   22.270   0.4590   22.480   0.4600 -0.2070000 0.6499000 
1 1 1    9    3   17 o   18.270   0.5247   17.790   0.7265   18.750   0.7573 -0.9671000 1.049000 
1 1 1    9    3   18 f   20.420   0.4606   20.400   0.6635   20.430   0.6390 -0.3104000E-01 0.9212000 
1 1 1    9    3   19 o   18.180   0.4512   18.200   0.6313   18.170   0.6448 0.2202000E-01 0.9024000 
1 1 1    9    3   20 o   6.3350   1.1880   6.5130   1.5930   6.1570   1.7630 0.3563000 2.376000 
1 1 1    9    3   21 o   36.740   0.3343   36.830   0.4672   36.650   0.4782 0.1763000 0.6685000 
1 1 1    9    3   22 o   10.380   1.1760   11.460   1.4480   9.2910   1.8540 2.169000 2.352000 
1 1 1    9    3   23 o   17.530   0.4429   17.570   0.6092   17.490   0.6431 0.8481000E-01 0.8858000 
1 1 1    9    3   24 o   15.770   0.4684   16.330   0.6265   15.210   0.6965 1.122000 0.9369000 
1 1 1    9    3   25 o   11.970   0.5894   12.710   0.7716   11.230   0.8911 1.476000 1.179000 
1 1 1    9    3   26 o   5.0420   1.1060   6.2400   1.5540   3.8450   1.5750 2.395000 2.212000 
1 1 1    9    3   27 o   9.9060   0.7306   10.500   0.9733   9.3130   1.0900 1.187000 1.461000 
1 1 1    9    3   28 o   3.5110   1.0820   3.2740   1.4760   3.7470   1.5820 -0.4738000 2.164000 
1 1 1    9    3   29 o   13.700   0.5743   13.880   0.8044   13.510   0.8199 0.3738000 1.149000 
1 1 1    9    3   30 o   4.1230   1.2930   3.9050   1.7650   4.3400   1.8890 -0.4349000 2.585000 
1 1 1    9    3   31 o   5.1760   1.3000   5.1610   1.8210   5.1900   1.8570 -0.2943000E-01 2.600000 
1 1 1    9    3   32 o   4.7860   1.1940   6.4770   1.8710   3.0950   1.4820 3.382000 2.387000 
1 1 1    9    3   33 o   3.5580   1.1580   3.3310   1.5680   3.7840   1.7060 -0.4533000 2.317000 
1 1 1    9    3   34 o   5.0690   1.4980   6.2840   2.3500   3.8540   1.8590 2.430000 2.996000 
1 1 1    9    3   35 o   2.9960   1.0230   3.6550   1.6710   2.3370   1.1810 1.318000 2.046000 
1 1 1    9    3   36 o   2.3490   0.8391   2.5850   1.2860   2.1130   1.0780 0.4719000 1.678000 
1 1 1    9    5    0 o   82.080   0.5996   82.140   0.8488   82.020   0.8471 0.1253000 1.199000 
1 1 1    9    5    1 o   62.520   0.4612   62.430   0.6515   62.610   0.6530 -0.1821000 0.9224000 
1 1 1    9    5    2 o   78.410   0.5740   78.140   0.8091   78.680   0.8144 -0.5424000 1.148000 
1 1 1    9    5    3 o  157.800   0.9924  158.500   1.4100  157.000   1.3970 1.560000 1.985000 
1 1 1    9    5    4 o   64.040   0.4099   64.480   0.5832   63.600   0.5761 0.8736000 0.8197000 
1 1 1    9    5    5 o   74.720   0.4754   74.750   0.6725   74.690   0.6720 0.6512000E-01 0.9507000 
1 1 1    9    5    6 o   49.470   0.3750   49.600   0.5310   49.350   0.5296 0.2524000 0.7499000 
1 1 1    9    5    7 o   47.810   0.3658   48.060   0.5191   47.560   0.5156 0.5031000 0.7316000 
1 1 1    9    5    8 o   15.070   0.3101   15.560   0.4224   14.590   0.4543 0.9695000 0.6203000 
1 1 1    9    5    9 f   29.510   0.2401   29.530   0.3398   29.500   0.3394 0.2416000E-01 0.4803000 
1 1 1    9    5   10 o   41.480   0.2898   41.590   0.4104   41.370   0.4091 0.2249000 0.5795000 
1 1 1    9    5   11 o   24.100   0.2470   24.170   0.3479   24.030   0.3507 0.1351000 0.4940000 
1 1 1    9    5   12 o   19.640   0.2739   19.810   0.3836   19.460   0.3911 0.3486000 0.5478000 
1 1 1    9    5   13 o   62.670   0.4114   63.080   0.5852   62.260   0.5785 0.8261000 0.8228000 
1 1 1    9    5   14 o   33.040   0.2820   33.000   0.3947   33.080   0.4029 -0.7717000E-01 0.5640000 
1 1 1    9    5   15 o   16.160   0.4009   15.820   0.5516   16.510   0.5820 -0.6847000 0.8018000 
1 1 1    9    5   16 o   26.290   0.3971   25.720   0.5976   26.870   0.5231 -1.154000 0.7942000 
1 1 1    9    5   17 o   30.610   0.4450   30.780   0.6100   30.430   0.6481 0.3551000 0.8900000 
1 1 1    9    5   18 o   26.500   0.3458   26.360   0.4731   26.650   0.5045 -0.2971000 0.6916000 
1 1 1    9    5   19 o   22.490   0.3871   22.800   0.5258   22.190   0.5683 0.6140000 0.7742000 
1 1 1    9    5   20 o   18.400   0.4550   18.290   0.6148   18.500   0.6708 -0.2158000 0.9100000 
1 1 1    9    5   21 o   20.700   0.4579   21.580   0.6691   19.830   0.6255 1.756000 0.9159000 
1 1 1    9    5   22 o   15.450   0.7370   15.090   1.0750   15.800   1.0090 -0.7028000 1.474000 
1 1 1    9    5   23 o   5.6190   1.1710   5.6620   1.6410   5.5760   1.6720 0.8541000E-01 2.342000 
1 1 1    9    5   24 o   12.680   0.5791   12.670   0.7892   12.680   0.8477 -0.1328000E-01 1.158000 
1 1 1    9    5   25 o   4.9180   1.1520   5.6030   1.6010   4.2330   1.6560 1.370000 2.303000 
1 1 1    9    5   26 o   5.3810   1.1730   5.8260   1.5970   4.9370   1.7190 0.8885000 2.346000 
1 1 1    9    5   27 o   6.2980   1.1270   6.1210   1.5840   6.4740   1.6040 -0.3526000 2.254000 
1 1 1    9    5   28 o   10.200   0.7558   10.540   1.0110   9.8560   1.1240 0.6791000 1.512000 
1 1 1    9    5   29 o   9.3520   0.8718   9.3790   1.1770   9.3250   1.2860 0.5383000E-01 1.744000 
1 1 1    9    5   30 o   3.4940   1.1670   3.5270   1.6610   3.4600   1.6390 0.6692000E-01 2.334000 
1 1 1    9    5   31 o   4.3670   1.2340   4.9290   1.8130   3.8060   1.6750 1.123000 2.469000 
1 1 1    9    5   32 o   5.8360   1.3210   6.9280   1.8510   4.7430   1.8860 2.185000 2.642000 
1 1 1    9    5   33 o   3.4340   1.1350   3.6410   1.6610   3.2260   1.5480 0.4147000 2.270000 
1 1 1    9    5   34 o   4.6870   1.4750   3.9020   1.8260   5.4720   2.3170 -1.570000 2.950000 
1 1 1    9    5   35 o   3.1570   1.0700   3.1050   1.4980   3.2090   1.5290 -0.1036000 2.141000 
1 1 1    9    5   36 o   2.2620   0.8107   2.4030   1.2090   2.1200   1.0810 0.2828000 1.621000 
1 1 1    9    7    0 o   48.800   0.3205   48.550   0.4511   49.060   0.4555 -0.5112000 0.6411000 
1 1 1    9    7    1 o   63.570   0.4077   64.270   0.5825   62.870   0.5706 1.401000 0.8155000 
1 1 1    9    7    2 o   47.420   0.3148   47.210   0.4430   47.640   0.4474 -0.4310000 0.6296000 
1 1 1    9    7    3 o   41.950   0.3293   41.880   0.4652   42.030   0.4662 -0.1548000 0.6586000 
1 1 1    9    7    4 f   55.820   0.4200   55.940   0.5956   55.700   0.5924 0.2374000 0.8401000 
1 1 1    9    7    5 o   14.280   0.3095   14.560   0.4280   14.010   0.4473 0.5497000 0.6191000 
1 1 1    9    7    6 o   35.810   0.3063   35.990   0.4325   35.620   0.4338 0.3733000 0.6126000 
1 1 1    9    7    7 o   17.860   0.3072   18.290   0.4256   17.420   0.4431 0.8699000 0.6144000 
1 1 1    9    7    8 o   31.400   0.2525   31.400   0.3562   31.400   0.3579 -0.8509000E-02 0.5050000 
1 1 1    9    7    9 o   20.520   0.2567   20.470   0.3564   20.570   0.3697 -0.1030000 0.5135000 
1 1 1    9    7   10 o   60.660   0.3980   61.030   0.5654   60.280   0.5602 0.7494000 0.7959000 
1 1 1    9    7   11 o   47.750   0.3294   47.730   0.4651   47.780   0.4667 -0.5753000E-01 0.6589000 
1 1 1    9    7   12 o   7.9330   0.6796   8.8810   0.8036   6.9850   1.0960 1.895000 1.359000 
1 1 1    9    7   13 o   17.270   0.3509   17.470   0.4773   17.060   0.5144 0.4118000 0.7017000 
1 1 1    9    7   14 o   39.480   0.3094   39.270   0.4367   39.690   0.4384 -0.4170000 0.6188000 
1 1 1    9    7   15 o   67.940   0.4519   67.740   0.6359   68.140   0.6422 -0.3957000 0.9037000 
1 1 1    9    7   16 o   34.520   0.4399   34.530   0.6182   34.510   0.6260 0.2307000E-01 0.8798000 
1 1 1    9    7   17 o   26.630   0.4177   26.530   0.6025   26.720   0.5787 -0.1881000 0.8354000 
1 1 1    9    7   18 o   55.790   0.3958   55.590   0.5567   55.990   0.5627 -0.3944000 0.7916000 
1 1 1    9    7   19 f   19.480   0.4377   19.810   0.5943   19.150   0.6429 0.6624000 0.8755000 
1 1 1    9    7   20 o   9.9960   0.7994   10.020   1.0590   9.9730   1.1980 0.4611000E-01 1.599000 
1 1 1    9    7   21 o   30.010   0.4989   29.440   0.7042   30.580   0.7068 -1.146000 0.9978000 
1 1 1    9    7   22 f   5.1290   1.3150   4.4320   1.7470   5.8250   1.9650 -1.393000 2.629000 
1 1 1    9    7   23 o   12.620   0.5929   12.900   0.7795   12.340   0.8936 0.5629000 1.186000 
1 1 1    9    7   24 o   13.690   0.5320   13.060   0.7585   14.310   0.7462 -1.256000 1.064000 
1 1 1    9    7   25 o   10.800   0.6701   10.640   0.9068   10.970   0.9867 -0.3346000 1.340000 
1 1 1    9    7   26 o   3.3060   1.0390   3.5410   1.5150   3.0710   1.4230 0.4696000 2.078000 
1 1 1    9    7   27 o   18.040   0.4432   17.840   0.6083   18.240   0.6448 -0.4000000 0.8864000 
1 1 1    9    7   28 o   5.5900   1.2210   4.9380   1.6970   6.2420   1.7570 -1.304000 2.443000 
1 1 1    9    7   29 f   7.7420   1.4070   8.3350   1.8490   7.1490   2.1210 1.186000 2.814000 
1 1 1    9    7   30 o   4.1320   1.2280   4.3170   1.7630   3.9460   1.7090 0.3713000 2.455000 
1 1 1    9    7   31 o   4.8550   1.3120   5.0510   1.8580   4.6590   1.8530 0.3923000 2.624000 
1 1 1    9    7   32 o   4.0990   1.2310   4.6020   1.8300   3.5970   1.6470 1.006000 2.462000 
1 1 1    9    7   33 o   5.1360   1.5600   4.5920   2.0330   5.6800   2.3670 -1.087000 3.120000 
1 1 1    9    7   34 o   3.7310   1.2360   3.4840   1.6460   3.9780   1.8430 -0.4945000 2.471000 
1 1 1    9    7   35 o   2.6190   0.9215   2.5530   1.2760   2.6840   1.3290 -0.1310000 1.843000 
1 1 1    9    9    0 o   62.860   0.4687   63.530   0.6692   62.190   0.6564 1.334000 0.9373000 
1 1 1    9    9    1 o   49.070   0.3280   48.940   0.4629   49.200   0.4649 -0.2622000 0.6561000 
1 1 1    9    9    2 o   45.030   0.3077   45.020   0.4348   45.050   0.4354 -0.3256000E-01 0.6154000 
1 1 1    9    9    3 f   24.660   0.2436   24.570   0.3442   24.760   0.3449 -0.1846000 0.4873000 
1 1 1    9    9    4 f   34.100   0.3063   34.110   0.4314   34.100   0.4348 0.5741000E-02 0.6125000 
1 1 1    9    9    5 o   30.440   0.2971   30.550   0.4181   30.330   0.4222 0.2234000 0.5942000 
1 1 1    9    9    6 o   23.700   0.2542   24.080   0.3606   23.310   0.3584 0.7769000 0.5084000 
1 1 1    9    9    7 o   59.750   0.3928   59.870   0.5560   59.630   0.5549 0.2449000 0.7856000 
1 1 1    9    9    8 o   28.550   0.2621   28.740   0.3694   28.360   0.3718 0.3731000 0.5241000 
1 1 1    9    9    9 o   34.110   0.2766   34.110   0.3899   34.110   0.3925 0.9537000E-03 0.5532000 
1 1 1    9    9   10 o   43.270   0.3623   42.560   0.5021   43.980   0.5225 -1.422000 0.7246000 
1 1 1    9    9   11 o   48.440   0.3398   48.450   0.4806   48.430   0.4805 0.2433000E-01 0.6796000 
1 1 1    9    9   12 o   53.250   0.3679   53.750   0.5236   52.750   0.5168 1.000000 0.7357000 
1 1 1    9    9   13 o   6.9720   0.9376   9.1850   0.9739   4.7580   1.6020 4.427000 1.875000 
1 1 1    9    9   14 o   20.590   0.4047   20.150   0.5771   21.030   0.5676 -0.8797000 0.8094000 
1 1 1    9    9   15 o   34.470   0.4398   34.770   0.6270   34.160   0.6170 0.6099000 0.8797000 
1 1 1    9    9   16 o   35.550   0.3933   35.750   0.5580   35.350   0.5543 0.4055000 0.7865000 
1 1 1    9    9   17 o   11.940   0.6721   12.230   0.8900   11.640   1.0070 0.5923000 1.344000 
1 1 1    9    9   18 o   10.240   0.8123   8.7390   1.2720   11.750   1.0110 -3.009000 1.625000 
1 1 1    9    9   19 o   33.250   0.3426   33.090   0.4722   33.420   0.4964 -0.3344000 0.6851000 
1 1 1    9    9   20 o   22.850   0.4607   22.380   0.6508   23.320   0.6522 -0.9394000 0.9214000 
1 1 1    9    9   21 o   15.070   0.6314   15.300   0.7792   14.840   0.9937 0.4628000 1.263000 
1 1 1    9    9   22 o   3.7850   1.1120   3.2890   1.4740   4.2820   1.6650 -0.9921000 2.224000 
1 1 1    9    9   23 o   14.620   0.5276   14.480   0.7360   14.750   0.7563 -0.2622000 1.055000 
1 1 1    9    9   24 o   4.3060   1.1650   4.4180   1.6190   4.1940   1.6750 0.2242000 2.330000 
1 1 1    9    9   25 o   8.3620   0.8985   8.8780   1.0830   7.8450   1.4340 1.033000 1.797000 
1 1 1    9    9   26 o   13.260   0.5855   13.940   0.7558   12.570   0.8945 1.366000 1.171000 
1 1 1    9    9   27 o   14.890   0.5355   14.220   0.7518   15.560   0.7627 -1.347000 1.071000 
1 1 1    9    9   28 o   3.1540   1.0390   3.0620   1.4240   3.2460   1.5130 -0.1843000 2.078000 
1 1 1    9    9   29 o   5.1840   1.2860   3.0700   1.4990   7.2980   2.0900 -4.227000 2.572000 
1 1 1    9    9   30 f   9.5180   0.9949   10.880   1.1360   8.1520   1.6340 2.732000 1.990000 
1 1 1    9    9   31 o   5.0560   1.2430   6.4970   1.8560   3.6150   1.6550 2.883000 2.487000 
1 1 1    9    9   32 o   3.3480   1.1140   2.7480   1.3500   3.9480   1.7720 -1.201000 2.228000 
1 1 1    9    9   33 o   4.0530   1.3510   4.1290   1.9060   3.9770   1.9150 0.1523000 2.702000 
1 1 1    9    9   34 o   2.4080   0.8594   2.6140   1.3020   2.2020   1.1220 0.4112000 1.719000 
1 1 1    9    9   35 o   2.8090   0.9725   2.9220   1.4180   2.6970   1.3310 0.2246000 1.945000 
1 1 1    9   11    0 o   50.620   0.3934   50.190   0.5517   51.050   0.5611 -0.8616000 0.7869000 
1 1 1    9   11    1 o   39.640   0.3318   39.570   0.4668   39.710   0.4718 -0.1425000 0.6637000 
1 1 1    9   11    2 o   20.530   0.2766   20.290   0.3938   20.770   0.3885 -0.4829000 0.5532000 
1 1 1    9   11    3 o   18.870   0.2906   18.590   0.4091   19.150   0.4129 -0.5547000 0.5813000 
1 1 1    9   11    4 o   11.710   0.4350   12.070   0.5918   11.360   0.6376 0.7063000 0.8699000 
1 1 1    9   11    5 o   28.410   0.2711   28.860   0.3811   27.970   0.3857 0.8887000 0.5422000 
1 1 1    9   11    6 o   14.810   0.3700   15.150   0.5002   14.470   0.5453 0.6795000 0.7400000 
1 1 1    9   11    7 o   31.790   0.2787   31.970   0.3930   31.600   0.3953 0.3654000 0.5574000 
1 1 1    9   11    8 o   20.040   0.3206   19.980   0.4489   20.090   0.4579 -0.1100000 0.6413000 
1 1 1    9   11    9 o   91.790   0.5880   92.110   0.8344   91.470   0.8287 0.6408000 1.176000 
1 1 1    9   11   10 o   35.790   0.3015   36.190   0.4263   35.380   0.4264 0.8130000 0.6029000 
1 1 1    9   11   11 o  105.700   0.6740  105.700   0.9532  105.600   0.9533 0.1141000 1.348000 
1 1 1    9   11   12 o   41.350   0.3293   41.280   0.4645   41.430   0.4670 -0.1490000 0.6587000 
1 1 1    9   11   13 o   20.950   0.4886   21.850   0.5666   20.060   0.7961 1.785000 0.9771000 
1 1 1    9   11   14 o   34.540   0.4004   34.850   0.5682   34.230   0.5641 0.6146000 0.8007000 
1 1 1    9   11   15 o   53.130   0.4516   53.520   0.6420   52.740   0.6354 0.7787000 0.9032000 
1 1 1    9   11   16 o   15.150   0.5579   14.980   0.7687   15.320   0.8088 -0.3370000 1.116000 
1 1 1    9   11   17 o   35.800   0.3456   35.420   0.4840   36.180   0.4934 -0.7620000 0.6912000 
1 1 1    9   11   18 o   29.450   0.3484   29.510   0.4795   29.400   0.5056 0.1122000 0.6968000 
1 1 1    9   11   19 o   23.520   0.4453   23.650   0.6236   23.380   0.6360 0.2721000 0.8907000 
1 1 1    9   11   20 o   19.890   0.5033   20.290   0.6564   19.480   0.7631 0.8133000 1.007000 
1 1 1    9   11   21 o   10.740   0.7155   11.850   0.8604   9.6290   1.1440 2.221000 1.431000 
1 1 1    9   11   22 o   24.800   0.3570   25.030   0.4834   24.580   0.5255 0.4511000 0.7141000 
1 1 1    9   11   23 o   6.8630   1.0610   5.9420   1.5970   7.7850   1.3980 -1.843000 2.122000 
1 1 1    9   11   24 o   8.5850   0.8788   8.1980   1.2240   8.9720   1.2610 -0.7742000 1.758000 
1 1 1    9   11   25 o   12.980   0.5762   13.360   0.7454   12.610   0.8788 0.7450000 1.152000 
1 1 1    9   11   26 o   6.2720   1.1310   7.5010   1.3670   5.0430   1.8030 2.458000 2.263000 
1 1 1    9   11   27 f   7.9000   1.0570   8.5980   1.2590   7.2010   1.6990 1.397000 2.115000 
1 1 1    9   11   28 o   3.5440   1.1900   3.6160   1.7010   3.4720   1.6640 0.1438000 2.380000 
1 1 1    9   11   29 o   3.9350   1.1930   3.3880   1.5530   4.4820   1.8130 -1.094000 2.387000 
1 1 1    9   11   30 o   5.7670   1.3580   4.8840   1.8800   6.6500   1.9620 -1.767000 2.717000 
1 1 1    9   11   31 f   4.6390   1.3000   5.3510   1.9250   3.9260   1.7480 1.425000 2.600000 
1 1 1    9   11   32 o   3.7740   1.2880   3.8030   1.8180   3.7440   1.8260 0.5887000E-01 2.577000 
1 1 1    9   11   33 f   2.9620   1.0320   3.2680   1.5840   2.6550   1.3240 0.6130000 2.065000 
1 1 1    9   11   34 o   2.1790   0.7851   2.1390   1.0920   2.2190   1.1280 -0.8019000E-01 1.570000 
1 1 1    9   13    0 o   74.090   0.4783   73.760   0.6740   74.430   0.6790 -0.6654000 0.9567000 
1 1 1    9   13    1 o   21.790   0.2976   21.990   0.4207   21.580   0.4211 0.4048000 0.5952000 
1 1 1    9   13    2 o   64.760   0.4252   64.840   0.6022   64.670   0.6003 0.1702000 0.8503000 
1 1 1    9   13    3 o   31.540   0.3083   30.910   0.4005   32.160   0.4687 -1.244000 0.6165000 
1 1 1    9   13    4 o   35.940   0.2962   36.620   0.4165   35.260   0.4213 1.367000 0.5924000 
1 1 1    9   13    5 o   55.930   0.3809   56.210   0.5385   55.660   0.5388 0.5465000 0.7617000 
1 1 1    9   13    6 o   17.360   0.4153   17.010   0.6236   17.720   0.5488 -0.7054000 0.8307000 
1 1 1    9   13    7 o   44.830   0.3346   45.350   0.4748   44.320   0.4717 1.029000 0.6692000 
1 1 1    9   13    8 o   38.070   0.3746   37.840   0.5298   38.310   0.5296 -0.4656000 0.7492000 
1 1 1    9   13    9 o   65.700   0.4397   65.770   0.6219   65.630   0.6217 0.1427000 0.8794000 
1 1 1    9   13   10 o   54.890   0.4419   55.110   0.6266   54.670   0.6234 0.4421000 0.8838000 
1 1 1    9   13   11 o   46.370   0.4526   46.040   0.5623   46.690   0.7093 -0.6573000 0.9051000 
1 1 1    9   13   12 o   45.860   0.6094   45.860   0.6094  ?   ?       ?      ? 
1 1 1    9   13   13 o   27.100   0.4448   26.070   0.6535   28.140   0.6036 -2.065000 0.8896000 
1 1 1    9   13   14 o   30.750   0.3571   30.730   0.4989   30.770   0.5111 -0.3913000E-01 0.7142000 
1 1 1    9   13   15 o   22.060   0.4154   21.530   0.5847   22.580   0.5902 -1.043000 0.8308000 
1 1 1    9   13   16 o   45.360   0.3670   45.380   0.5154   45.350   0.5227 0.2572000E-01 0.7340000 
1 1 1    9   13   17 o   22.320   0.4711   22.350   0.6698   22.280   0.6626 0.7072000E-01 0.9422000 
1 1 1    9   13   18 o   28.750   0.5160   29.630   0.7049   27.870   0.7537 1.760000 1.032000 
1 1 1    9   13   19 o   9.4440   1.0880   10.800   1.1610   8.0850   1.8410 2.717000 2.176000 
1 1 1    9   13   20 o   7.4470   1.0070   8.0500   1.2420   6.8440   1.5860 1.206000 2.015000 
1 1 1    9   13   21 o   24.080   0.3700   24.010   0.5111   24.150   0.5352 -0.1392000 0.7400000 
1 1 1    9   13   22 o   10.960   0.6898   10.180   1.0000   11.740   0.9503 -1.561000 1.380000 
1 1 1    9   13   23 o   17.490   0.4499   17.700   0.6036   17.290   0.6673 0.4084000 0.8998000 
1 1 1    9   13   24 o   7.7350   0.9800   6.9120   1.4960   8.5580   1.2670 -1.646000 1.960000 
1 1 1    9   13   25 o   5.1660   1.1730   6.2630   1.6310   4.0680   1.6860 2.195000 2.346000 
1 1 1    9   13   26 f   3.3440   1.0720   3.3790   1.5090   3.3100   1.5230 0.6889000E-01 2.144000 
1 1 1    9   13   27 o   3.7900   1.2390   3.8050   1.7570   3.7750   1.7470 0.3057000E-01 2.477000 
1 1 1    9   13   28 o   5.7140   1.3260   5.8960   1.8470   5.5320   1.9040 0.3643000 2.653000 
1 1 1    9   13   29 o   3.2330   1.0720   3.6040   1.6240   2.8630   1.4020 0.7413000 2.145000 
1 1 1    9   13   30 o   4.1770   1.2690   4.3340   1.8170   4.0210   1.7730 0.3129000 2.539000 
1 1 1    9   13   31 o   3.0500   1.0620   2.6800   1.3450   3.4190   1.6430 -0.7390000 2.123000 
1 1 1    9   13   32 o   4.0130   1.3220   4.5740   2.0210   3.4520   1.7030 1.122000 2.643000 
1 1 1    9   13   33 f   2.7570   0.9581   2.9780   1.4400   2.5370   1.2640 0.4418000 1.916000 
1 1 1    9   15    0 o   26.490   0.3121   26.330   0.4413   26.640   0.4415 -0.3107000 0.6243000 
1 1 1    9   15    1 o   47.250   0.3429   47.380   0.4862   47.110   0.4837 0.2698000 0.6858000 
1 1 1    9   15    2 o   26.270   0.3198   26.590   0.4506   25.950   0.4538 0.6393000 0.6396000 
1 1 1    9   15    3 o   56.580   0.3892   56.920   0.5517   56.240   0.5490 0.6745000 0.7784000 
1 1 1    9   15    4 o   27.680   0.3256   27.350   0.4547   28.010   0.4660 -0.6569000 0.6511000 
1 1 1    9   15    5 o   81.520   0.5298   82.630   0.7573   80.410   0.7410 2.226000 1.060000 
1 1 1    9   15    6 o   50.780   0.3693   51.210   0.5212   50.350   0.5232 0.8537000 0.7385000 
1 1 1    9   15    7 o   33.810   0.3731   34.290   0.5252   33.320   0.5300 0.9767000 0.7461000 
1 1 1    9   15    8 o   44.320   0.4001   44.370   0.5667   44.280   0.5650 0.8772000E-01 0.8002000 
1 1 1    9   15    9 f   53.340   0.4422   53.840   0.6262   52.850   0.6246 0.9906000 0.8845000 
1 1 1    9   15   10 o   24.290   0.4958   23.730   0.7207   24.840   0.6810 -1.109000 0.9915000 
1 1 1    9   15   11 o   45.680   0.4348   45.640   0.6192   45.710   0.6107 -0.6819000E-01 0.8697000 
1 1 1    9   15   12 o   40.650   0.3630   40.540   0.5124   40.760   0.5143 -0.2154000 0.7260000 
1 1 1    9   15   13 o   31.240   0.3696   31.280   0.5138   31.190   0.5315 0.8922000E-01 0.7393000 
1 1 1    9   15   14 o   20.600   0.4557   20.990   0.6109   20.200   0.6765 0.7851000 0.9115000 
1 1 1    9   15   15 o   26.120   0.4172   26.790   0.6116   25.450   0.5676 1.335000 0.8344000 
1 1 1    9   15   16 o   16.670   0.5800   15.940   0.8453   17.390   0.7944 -1.446000 1.160000 
1 1 1    9   15   17 o   18.950   0.5493   18.470   0.7331   19.440   0.8183 -0.9648000 1.099000 
1 1 1    9   15   18 o   14.290   0.5692   14.190   0.7833   14.390   0.8261 -0.1990000 1.138000 
1 1 1    9   15   19 o   16.280   0.4947   15.560   0.7058   16.990   0.6935 -1.429000 0.9895000 
1 1 1    9   15   20 o   14.740   0.5423   14.140   0.7528   15.340   0.7808 -1.198000 1.085000 
1 1 1    9   15   21 o   11.770   0.6535   11.720   0.8903   11.830   0.9568 -0.1076000 1.307000 
1 1 1    9   15   22 o   17.800   0.4709   17.730   0.6558   17.870   0.6759 -0.1403000 0.9417000 
1 1 1    9   15   23 o   21.560   0.4054   21.900   0.5531   21.230   0.5928 0.6722000 0.8108000 
1 1 1    9   15   24 o   7.5830   1.0790   6.3970   1.6500   8.7690   1.3890 -2.371000 2.157000 
1 1 1    9   15   25 o   4.0760   1.1940   4.3700   1.7230   3.7820   1.6540 0.5879000 2.389000 
1 1 1    9   15   26 o   4.0900   1.3020   4.1630   1.8510   4.0180   1.8320 0.1453000 2.605000 
1 1 1    9   15   27 o   12.390   0.7566   13.130   0.9657   11.640   1.1650 1.495000 1.513000 
1 1 1    9   15   28 o   4.7370   1.3060   5.1930   1.8600   4.2810   1.8330 0.9120000 2.612000 
1 1 1    9   15   29 o   3.6710   1.1780   3.3290   1.5550   4.0140   1.7690 -0.6849000 2.355000 
1 1 1    9   15   30 o   3.3540   1.1420   3.3280   1.6020   3.3800   1.6280 -0.5203000E-01 2.283000 
1 1 1    9   15   31 o   3.5710   1.2260   3.8710   1.8380   3.2700   1.6210 0.6012000 2.451000 
1 1 1    9   15   32 o   2.9560   1.0130   3.3750   1.5810   2.5370   1.2670 0.8378000 2.026000 
1 1 1    9   15   33 o   2.0610   0.7556   1.9470   1.0040   2.1750   1.1300 -0.2284000 1.511000 
1 1 1    9   17    0 f   13.360   0.6951   13.670   0.9707   13.050   0.9950 0.6159000 1.390000 
1 1 1    9   17    1 o   75.720   0.5752   76.010   0.8163   75.430   0.8106 0.5795000 1.150000 
1 1 1    9   17    2 o   49.210   0.4231   49.840   0.6042   48.590   0.5925 1.246000 0.8462000 
1 1 1    9   17    3 o   21.840   0.4862   21.710   0.6860   21.970   0.6891 -0.2574000 0.9723000 
1 1 1    9   17    4 o   72.000   0.5547   71.920   0.7830   72.080   0.7859 -0.1622000 1.109000 
1 1 1    9   17    5 o   35.840   0.3544   35.720   0.4935   35.960   0.5088 -0.2438000 0.7088000 
1 1 1    9   17    6 o   6.5950   1.2520   7.7050   1.6380   5.4850   1.8930 2.221000 2.504000 
1 1 1    9   17    7 o   22.610   0.5775   22.490   0.8825   22.730   0.7450 -0.2423000 1.155000 
1 1 1    9   17    8 o   40.450   0.4264   40.490   0.5917   40.420   0.6140 0.6870000E-01 0.8527000 
1 1 1    9   17    9 o   43.700   0.3736   43.820   0.5275   43.580   0.5291 0.2391000 0.7471000 
1 1 1    9   17   10 o   37.130   0.3638   37.090   0.5113   37.180   0.5176 -0.9018000E-01 0.7276000 
1 1 1    9   17   11 o   23.440   0.4320   22.820   0.6122   24.070   0.6097 -1.254000 0.8640000 
1 1 1    9   17   12 o   49.200   0.3864   49.500   0.5487   48.890   0.5441 0.6157000 0.7728000 
1 1 1    9   17   13 o   7.2900   1.2730   8.8460   1.6200   5.7350   1.9640 3.111000 2.546000 
1 1 1    9   17   14 f   17.140   0.5882   16.580   0.8413   17.700   0.8222 -1.118000 1.176000 
1 1 1    9   17   15 o   24.320   0.4713   25.460   0.5987   23.170   0.7280 2.284000 0.9426000 
1 1 1    9   17   16 o   9.5090   1.0770   11.620   1.0660   7.3940   1.8720 4.228000 2.155000 
1 1 1    9   17   17 o   5.8790   1.2010   6.5690   1.6390   5.1890   1.7560 1.379000 2.402000 
1 1 1    9   17   18 o   9.3720   0.8282   9.0330   1.1800   9.7120   1.1620 -0.6790000 1.656000 
1 1 1    9   17   19 o   9.7050   0.8009   9.4210   1.1220   9.9890   1.1440 -0.5673000 1.602000 
1 1 1    9   17   20 o   3.5390   1.0960   3.2520   1.4640   3.8260   1.6320 -0.5740000 2.193000 
1 1 1    9   17   21 o   17.190   0.4738   16.880   0.6687   17.510   0.6715 -0.6339000 0.9477000 
1 1 1    9   17   22 o   9.1440   0.9122   8.4450   1.3410   9.8430   1.2370 -1.398000 1.824000 
1 1 1    9   17   23 o   11.080   0.7955   11.320   1.0390   10.830   1.2050 0.4949000 1.591000 
1 1 1    9   17   24 o   3.6660   1.1620   4.0360   1.7260   3.2950   1.5570 0.7418000 2.325000 
1 1 1    9   17   25 o   3.6980   1.2310   3.1330   1.5310   4.2630   1.9290 -1.130000 2.463000 
1 1 1    9   17   26 o   3.9210   1.1940   3.0060   1.4370   4.8360   1.9070 -1.830000 2.388000 
1 1 1    9   17   27 f   3.3650   1.1140   3.2460   1.5250   3.4840   1.6240 -0.2385000 2.228000 
1 1 1    9   17   28 o   4.6400   1.2990   3.8900   1.7180   5.3900   1.9490 -1.501000 2.598000 
1 1 1    9   17   29 f   7.2270   1.5070   6.9440   2.1220   7.5100   2.1400 -0.5660000 3.014000 
1 1 1    9   17   30 o   3.5720   1.2290   3.4280   1.6790   3.7160   1.7950 -0.2877000 2.458000 
1 1 1    9   17   31 o   3.4090   1.1310   3.8340   1.7420   2.9840   1.4410 0.8504000 2.261000 
1 1 1    9   17   32 o   2.1930   1.1390   2.1930   1.1390  ?   ?       ?      ? 
1 1 1    9   19    0 o   31.590   0.4169   31.480   0.5956   31.700   0.5835 -0.2157000 0.8338000 
1 1 1    9   19    1 o   34.900   0.4090   35.330   0.5825   34.470   0.5744 0.8680000 0.8181000 
1 1 1    9   19    2 o   39.770   0.4113   39.670   0.5857   39.870   0.5777 -0.1964000 0.8227000 
1 1 1    9   19    3 o   20.870   0.6034   20.760   0.7722   20.980   0.9273 -0.2157000 1.207000 
1 1 1    9   19    4 o   29.150   0.4511   28.880   0.6265   29.410   0.6492 -0.5334000 0.9022000 
1 1 1    9   19    5 o   30.300   0.3761   30.460   0.5262   30.150   0.5374 0.3109000 0.7521000 
1 1 1    9   19    6 o   17.750   0.5351   18.020   0.7364   17.480   0.7766 0.5353000 1.070000 
1 1 1    9   19    7 f   31.480   0.3702   32.100   0.5062   30.850   0.5404 1.255000 0.7405000 
1 1 1    9   19    8 o   9.5990   0.9629   10.330   1.2050   8.8670   1.5020 1.463000 1.926000 
1 1 1    9   19    9 o   3.3080   1.0790   2.5890   1.2750   4.0270   1.7400 -1.438000 2.157000 
1 1 1    9   19   10 o   15.900   0.6175   15.540   0.8602   16.260   0.8862 -0.7204000 1.235000 
1 1 1    9   19   11 o   15.320   0.6678   15.280   0.9302   15.350   0.9584 -0.6098000E-01 1.336000 
1 1 1    9   19   12 o   29.880   0.3806   30.530   0.5193   29.230   0.5565 1.294000 0.7612000 
1 1 1    9   19   13 o   3.9420   1.2000   4.6600   1.8300   3.2240   1.5530 1.436000 2.400000 
1 1 1    9   19   14 o   16.360   0.6248   15.650   0.8596   17.070   0.9071 -1.419000 1.250000 
1 1 1    9   19   15 o   15.740   0.5351   15.540   0.7560   15.930   0.7574 -0.3825000 1.070000 
1 1 1    9   19   16 o   9.2820   0.9379   7.1300   1.5800   11.430   1.0110 -4.304000 1.876000 
1 1 1    9   19   17 o   3.5920   1.1120   3.5720   1.5630   3.6130   1.5820 -0.4161000E-01 2.224000 
1 1 1    9   19   18 o   12.840   0.6260   12.870   0.8835   12.820   0.8871 0.4447000E-01 1.252000 
1 1 1    9   19   19 o   3.9380   1.1710   3.6070   1.5780   4.2690   1.7320 -0.6617000 2.343000 
1 1 1    9   19   20 o   8.6520   0.9740   9.2460   1.2400   8.0570   1.5020 1.189000 1.948000 
1 1 1    9   19   21 o   4.9380   1.1470   6.5510   1.7030   3.3240   1.5370 3.226000 2.294000 
1 1 1    9   19   22 o   4.4450   1.2660   4.0530   1.7010   4.8370   1.8740 -0.7839000 2.531000 
1 1 1    9   19   23 o   6.6190   1.5420   5.8380   2.1490   7.3990   2.2130 -1.561000 3.085000 
1 1 1    9   19   24 o   6.0580   1.4660   5.3870   2.0260   6.7290   2.1200 -1.342000 2.933000 
1 1 1    9   19   25 o   3.5180   1.1380   3.9870   1.7330   3.0490   1.4740 0.9382000 2.275000 
1 1 1    9   19   26 o   5.2270   1.3720   5.1130   1.9030   5.3420   1.9770 -0.2286000 2.744000 
1 1 1    9   19   27 f   3.8050   1.2130   3.8960   1.7260   3.7150   1.7040 0.1809000 2.425000 
1 1 1    9   19   28 o   4.2400   1.3930   4.3510   1.9840   4.1290   1.9560 0.2222000 2.786000 
1 1 1    9   19   29 o   4.4080   1.3380   3.4930   1.6450   5.3220   2.1100 -1.829000 2.675000 
1 1 1    9   19   30 o   2.5020   0.8913   2.3590   1.1870   2.6460   1.3300 -0.2867000 1.783000 
1 1 1    9   21    0 o   35.560   0.3507   35.390   0.4935   35.730   0.4985 -0.3421000 0.7014000 
1 1 1    9   21    1 o   23.480   0.4115   23.920   0.5726   23.040   0.5913 0.8803000 0.8231000 
1 1 1    9   21    2 o   17.090   0.6017   17.510   0.8100   16.660   0.8899 0.8532000 1.203000 
1 1 1    9   21    3 o   31.690   0.4139   31.410   0.5803   31.970   0.5904 -0.5597000 0.8279000 
1 1 1    9   21    4 o   15.050   0.6828   14.410   0.9980   15.680   0.9320 -1.270000 1.366000 
1 1 1    9   21    5 o   8.4360   1.1820   9.5470   1.4440   7.3240   1.8730 2.222000 2.365000 
1 1 1    9   21    6 o   18.210   0.5556   18.280   0.7807   18.130   0.7907 0.1485000 1.111000 
1 1 1    9   21    7 o   21.660   0.5208   22.790   0.7593   20.540   0.7131 2.246000 1.042000 
1 1 1    9   21    8 o   23.530   0.4085   23.940   0.5562   23.130   0.5983 0.8078000 0.8169000 
1 1 1    9   21    9 o   6.8090   1.3270   5.5510   1.8800   8.0680   1.8740 -2.517000 2.654000 
1 1 1    9   21   10 o   25.840   0.4344   25.700   0.5723   25.970   0.6538 -0.2693000 0.8689000 
1 1 1    9   21   11 o   11.500   0.8609   12.780   0.9609   10.210   1.4290 2.565000 1.722000 
1 1 1    9   21   12 o   15.200   0.5897   15.210   0.8636   15.190   0.8031 0.2164000E-01 1.179000 
1 1 1    9   21   13 o   13.280   0.6380   13.790   0.8428   12.760   0.9580 1.027000 1.276000 
1 1 1    9   21   14 o   13.870   0.5992   13.020   0.8749   14.730   0.8190 -1.713000 1.198000 
1 1 1    9   21   15 o   14.790   0.5807   16.230   0.7328   13.350   0.9011 2.877000 1.161000 
1 1 1    9   21   16 o   2.6290   0.9102   2.6760   1.3020   2.5820   1.2720 0.9465000E-01 1.820000 
1 1 1    9   21   17 f   16.940   0.5141   16.590   0.7316   17.290   0.7224 -0.6946000 1.028000 
1 1 1    9   21   18 o   10.670   0.8179   11.520   1.0530   9.8230   1.2520 1.701000 1.636000 
1 1 1    9   21   19 o   14.260   0.6185   14.140   0.8917   14.380   0.8574 -0.2349000 1.237000 
1 1 1    9   21   20 o   7.2330   1.2180   7.8970   1.5770   6.5690   1.8570 1.328000 2.437000 
1 1 1    9   21   21 o   16.220   0.6455   16.510   0.8505   15.920   0.9714 0.5858000 1.291000 
1 1 1    9   21   22 f   4.5270   1.3810   4.2800   1.8980   4.7740   2.0060 -0.4940000 2.761000 
1 1 1    9   21   23 o   3.9560   1.2170   4.3700   1.8020   3.5410   1.6340 0.8288000 2.433000 
1 1 1    9   21   24 o   5.3660   1.3010   6.6060   1.8850   4.1270   1.7940 2.479000 2.603000 
1 1 1    9   21   25 o   4.0320   1.7890  ?   ?    4.0320   1.7890      ?      ? 
1 1 1    9   21   26 o   3.9750   1.2810   3.4760   1.6560   4.4730   1.9560 -0.9969000 2.563000 
1 1 1    9   21   27 o   3.3380   1.1720   2.8730   1.4470   3.8030   1.8440 -0.9295000 2.344000 
1 1 1    9   21   28 o   2.5160   0.8880   2.5010   1.2460   2.5310   1.2650 -0.2948000E-01 1.776000 
1 1 1    9   21   29 o   2.4080   0.8636   2.2500   1.1470   2.5650   1.2920 -0.3152000 1.727000 
1 1 1    9   23    0 o   5.6060   1.2400   5.1580   1.7600   6.0550   1.7460 -0.8971000 2.479000 
1 1 1    9   23    1 o   7.8920   1.0220   8.7130   1.2970   7.0700   1.5790 1.644000 2.043000 
1 1 1    9   23    2 o   5.6850   1.2500   5.9540   1.7500   5.4150   1.7850 0.5394000 2.500000 
1 1 1    9   23    3 o   15.550   0.7052   15.960   0.8071   15.130   1.1570 0.8330000 1.410000 
1 1 1    9   23    4 o   16.070   0.6222   16.230   0.8123   15.910   0.9426 0.3161000 1.244000 
1 1 1    9   23    5 o   14.370   0.6883   15.460   0.8318   13.290   1.0970 2.163000 1.377000 
1 1 1    9   23    6 o   16.570   0.5845   14.960   0.8391   18.170   0.8140 -3.203000 1.169000 
1 1 1    9   23    7 o   8.4580   1.0960   8.2470   1.4710   8.6690   1.6240 -0.4221000 2.191000 
1 1 1    9   23    8 f   12.380   0.6746   13.490   0.8310   11.280   1.0630 2.208000 1.349000 
1 1 1    9   23    9 o   12.910   0.6453   12.450   0.9066   13.380   0.9186 -0.9351000 1.291000 
1 1 1    9   23   10 o   12.650   0.6694   13.090   0.8619   12.210   1.0240 0.8858000 1.339000 
1 1 1    9   23   11 o   26.380   0.3742   26.670   0.5090   26.100   0.5487 0.5675000 0.7484000 
1 1 1    9   23   12 o   6.4690   1.1300   8.0770   1.3660   4.8600   1.8010 3.218000 2.260000 
1 1 1    9   23   13 o   4.4220   1.1890   3.3520   1.5110   5.4910   1.8370 -2.139000 2.378000 
1 1 1    9   23   14 o   4.5650   1.2750   4.9690   1.8660   4.1600   1.7370 0.8088000 2.549000 
1 1 1    9   23   15 o   11.730   0.7578   12.000   1.0250   11.470   1.1160 0.5270000 1.516000 
1 1 1    9   23   16 o   4.9870   1.2970   4.6490   1.8160   5.3260   1.8510 -0.6764000 2.593000 
1 1 1    9   23   17 o   3.6650   1.1510   4.1300   1.7370   3.2000   1.5110 0.9304000 2.302000 
1 1 1    9   23   18 o   6.2490   1.2570   8.1450   1.7100   4.3520   1.8440 3.793000 2.515000 
1 1 1    9   23   19 o   6.1350   1.3390   4.6850   1.8970   7.5840   1.8890 -2.899000 2.677000 
1 1 1    9   23   20 o   3.9190   1.2740   3.9270   1.8070   3.9110   1.7970 0.1596000E-01 2.548000 
1 1 1    9   23   21 o   6.8200   1.2520   4.8640   1.8760   8.7760   1.6590 -3.912000 2.504000 
1 1 1    9   23   22 o   4.5180   1.3050   4.9540   1.9070   4.0820   1.7810 0.8713000 2.609000 
1 1 1    9   23   23 o   7.4090   1.2280   9.5060   1.4760   5.3120   1.9640 4.194000 2.456000 
1 1 1    9   23   24 o   4.2270   1.3260   3.8730   1.7850   4.5820   1.9610 -0.7090000 2.651000 
1 1 1    9   23   25 o   4.0900   1.3530   4.6400   2.0700   3.5390   1.7420 1.102000 2.705000 
1 1 1    9   23   26 o   3.0870   1.0710   3.1400   1.5300   3.0350   1.4980 0.1052000 2.141000 
1 1 1    9   23   27 o   2.5250   0.8919   2.8150   1.3780   2.2350   1.1330 0.5800000 1.784000 
1 1 1    9   25    0 o   19.540   0.4286   19.910   0.5902   19.160   0.6216 0.7509000 0.8571000 
1 1 1    9   25    1 o   22.890   0.3871   23.120   0.5440   22.660   0.5509 0.4599000 0.7742000 
1 1 1    9   25    2 o   17.720   0.4675   18.240   0.6467   17.210   0.6752 1.030000 0.9349000 
1 1 1    9   25    3 o   13.610   0.6626   13.970   0.8245   13.240   1.0370 0.7262000 1.325000 
1 1 1    9   25    4 o   17.370   0.5068   17.430   0.6894   17.310   0.7431 0.1202000 1.014000 
1 1 1    9   25    5 o   14.580   0.5944   15.130   0.7680   14.030   0.9074 1.099000 1.189000 
1 1 1    9   25    6 o   10.500   0.8183   11.070   1.0270   9.9210   1.2740 1.154000 1.637000 
1 1 1    9   25    7 o   4.5720   1.2490   4.0760   1.6640   5.0680   1.8620 -0.9921000 2.498000 
1 1 1    9   25    8 o   10.690   0.7785   10.650   1.0460   10.740   1.1530 -0.8301000E-01 1.557000 
1 1 1    9   25    9 o   5.4200   1.2930   5.6690   1.7750   5.1720   1.8820 0.4973000 2.587000 
1 1 1    9   25   10 o   7.3210   1.1710   8.2230   1.4340   6.4200   1.8520 1.803000 2.342000 
1 1 1    9   25   11 o   13.320   0.6504   13.660   0.8600   12.990   0.9760 0.6691000 1.301000 
1 1 1    9   25   12 o   3.6520   1.1460   3.7140   1.6140   3.5890   1.6280 0.1253000 2.293000 
1 1 1    9   25   13 o   20.970   0.4580   20.910   0.6311   21.030   0.6639 -0.1224000 0.9160000 
1 1 1    9   25   14 o   12.880   0.7109   14.400   0.8471   11.370   1.1420 3.030000 1.422000 
1 1 1    9   25   15 o   4.3490   1.2890   3.7300   1.6780   4.9680   1.9580 -1.238000 2.579000 
1 1 1    9   25   16 o   5.3390   1.4100   5.2720   1.9780   5.4070   2.0100 -0.1350000 2.820000 
1 1 1    9   25   17 o   4.3060   1.3470   3.9520   1.8330   4.6610   1.9740 -0.7083000 2.694000 
1 1 1    9   25   18 o   8.3470   1.4410   9.1650   1.9120   7.5300   2.1560 1.636000 2.881000 
1 1 1    9   25   19 o   3.8800   1.2230   3.5370   1.6420   4.2230   1.8120 -0.6867000 2.445000 
1 1 1    9   25   20 o   3.4780   1.1490   3.3890   1.5980   3.5660   1.6530 -0.1770000 2.299000 
1 1 1    9   25   21 o   3.1980   1.0810   3.3260   1.5710   3.0690   1.4850 0.2573000 2.162000 
1 1 1    9   25   22 o   4.0860   1.3200   4.4800   1.9470   3.6930   1.7840 0.7870000 2.640000 
1 1 1    9   25   23 o   4.4460   1.4020   3.2950   1.6250   5.5960   2.2850 -2.300000 2.804000 
1 1 1    9   25   24 o   2.8480   0.9995   2.7650   1.3770   2.9310   1.4490 -0.1656000 1.999000 
1 1 1    9   25   25 o   2.3490   0.8399   2.0430   1.0430   2.6550   1.3170 -0.6120000 1.680000 
1 1 1    9   27    0 o   4.5660   1.3220   5.4410   2.0970   3.6900   1.6100 1.750000 2.644000 
1 1 1    9   27    1 o   10.320   0.9816   10.120   1.6190   10.520   1.1110 -0.3917000 1.963000 
1 1 1    9   27    2 f   10.980   0.9340   10.740   1.5390   11.210   1.0580 -0.4643000 1.868000 
1 1 1    9   27    3 o   8.2670   1.2670   7.7100   2.0500   8.8250   1.4900 -1.115000 2.534000 
1 1 1    9   27    4 o   6.5390   1.4290   7.3930   2.1200   5.6850   1.9150 1.708000 2.857000 
1 1 1    9   27    5 o   12.130   0.7448   12.790   0.9785   11.480   1.1230 1.304000 1.490000 
1 1 1    9   27    6 o   10.500   0.8558   10.520   1.1590   10.470   1.2600 0.5498000E-01 1.712000 
1 1 1    9   27    7 o   5.5350   1.3250   5.5670   1.8280   5.5030   1.9200 0.6463000E-01 2.651000 
1 1 1    9   27    8 o   9.9790   0.8925   9.8940   1.2060   10.060   1.3160 -0.1709000 1.785000 
1 1 1    9   27    9 o   3.2930   1.0820   3.3430   1.5350   3.2430   1.5270 0.1004000 2.165000 
1 1 1    9   27   10 o   9.1650   1.1650   10.500   1.3450   7.8340   1.9030 2.662000 2.331000 
1 1 1    9   27   11 o   7.9560   1.2910   7.7750   1.8610   8.1380   1.7900 -0.3625000 2.582000 
1 1 1    9   27   12 o   16.570   0.6536   16.270   0.9518   16.880   0.8961 -0.6028000 1.307000 
1 1 1    9   27   13 o   11.290   0.9714   13.700   0.9749   8.8750   1.6810 4.824000 1.943000 
1 1 1    9   27   14 o   5.2710   1.4570   4.7820   2.0150   5.7610   2.1050 -0.9789000 2.914000 
1 1 1    9   27   15 o   7.2050   1.4200   8.9100   1.8990   5.5010   2.1130 3.409000 2.841000 
1 1 1    9   27   16 o   6.8120   1.2850   8.5730   1.6680   5.0500   1.9540 3.522000 2.570000 
1 1 1    9   27   17 o   4.1530   1.2610   4.6740   1.8860   3.6330   1.6730 1.041000 2.521000 
1 1 1    9   27   18 o   3.6590   1.1920   3.3040   1.5920   4.0130   1.7750 -0.7090000 2.385000 
1 1 1    9   27   19 o   4.0810   1.2280   5.1960   1.9840   2.9660   1.4480 2.230000 2.456000 
1 1 1    9   27   20 f   4.3540   1.3620   4.4910   1.9560   4.2180   1.8960 0.2737000 2.725000 
1 1 1    9   27   21 o   4.5320   1.3600   4.0530   1.8130   5.0110   2.0290 -0.9571000 2.721000 
1 1 1    9   27   22 o   3.2220   1.0990   3.6100   1.6870   2.8340   1.4080 0.7755000 2.197000 
1 1 1    9   27   23 o   2.1460   0.7856   2.0550   1.0690   2.2380   1.1520 -0.1833000 1.571000 
1 1 1    9   29    0 o   12.130   0.8421   10.620   1.3550   13.640   0.9996 -3.015000 1.684000 
1 1 1    9   29    1 o   7.2420   1.2760   8.9200   1.6300   5.5640   1.9630 3.356000 2.552000 
1 1 1    9   29    2 o   3.7910   1.2150   3.9970   1.7770   3.5860   1.6560 0.4111000 2.429000 
1 1 1    9   29    3 o   4.1900   1.2800   3.3620   1.5990   5.0180   2.0000 -1.655000 2.560000 
1 1 1    9   29    4 o   13.480   0.8277   12.870   1.2040   14.100   1.1360 -1.233000 1.655000 
1 1 1    9   29    5 o   12.780   0.8795   13.460   1.1620   12.100   1.3210 1.358000 1.759000 
1 1 1    9   29    6 o   9.1890   1.2200   8.2790   1.8930   10.100   1.5380 -1.821000 2.439000 
1 1 1    9   29    7 o   6.7860   1.5350   7.5790   2.2330   5.9920   2.1080 1.587000 3.071000 
1 1 1    9   29    8 o   6.7920   1.3480   5.0300   2.1170   8.5550   1.6680 -3.524000 2.695000 
1 1 1    9   29    9 o   10.900   1.1370   9.8800   1.9390   11.910   1.1870 -2.032000 2.274000 
1 1 1    9   29   10 o   7.5820   1.5330   8.3920   2.2170   6.7720   2.1170 1.620000 3.066000 
1 1 1    9   29   11 o   7.6310   1.5760   7.4990   2.3870   7.7620   2.0580 -0.2623000 3.152000 
1 1 1    9   29   12 o   5.3470   1.5060   6.3370   2.3750   4.3580   1.8530 1.980000 3.012000 
1 1 1    9   29   13 o   3.1340   1.0950   3.3930   1.6720   2.8750   1.4130 0.5188000 2.189000 
1 1 1    9   29   14 o   4.1940   1.3070   3.6060   1.7470   4.7820   1.9430 -1.176000 2.613000 
1 1 1    9   29   15 o   5.1120   1.4760   5.3080   2.2110   4.9160   1.9560 0.3920000 2.952000 
1 1 1    9   29   16 o   3.7310   1.3130   4.2180   2.0790   3.2440   1.6040 0.9744000 2.626000 
1 1 1    9   29   17 o   2.7550   0.9892   2.7150   1.4010   2.7960   1.3970 -0.8025000E-01 1.978000 
1 1 1    9   29   18 o   5.6300   1.5360   5.6720   2.2550   5.5880   2.0870 0.8310000E-01 3.073000 
1 1 1    9   29   19 o   3.0730   1.0740   3.2790   1.6110   2.8660   1.4200 0.4131000 2.147000 
1 1 1    9   29   20 o   2.8200   1.0150   2.8020   1.4400   2.8380   1.4300 -0.3567000E-01 2.029000 
1 1 1    9   31    0 o   10.810   1.0530   9.9760   1.6100   11.640   1.3580 -1.661000 2.106000 
1 1 1    9   31    1 o   12.740   0.9103   14.030   1.1430   11.450   1.4170 2.582000 1.821000 
1 1 1    9   31    2 o   14.310   0.8201   13.280   1.2390   15.350   1.0750 -2.070000 1.640000 
1 1 1    9   31    3 o   5.1620   1.4480   4.5400   1.9550   5.7850   2.1350 -1.245000 2.895000 
1 1 1    9   31    4 o   8.1660   1.4310   7.7210   2.0960   8.6120   1.9500 -0.8916000 2.863000 
1 1 1    9   31    5 o   4.6020   1.3950   4.4500   1.9420   4.7540   2.0040 -0.3043000 2.791000 
1 1 1    9   31    6 o   6.3740   1.5320   6.1600   2.1510   6.5880   2.1830 -0.4274000 3.064000 
1 1 1    9   31    7 o   3.7620   1.2070   3.6000   1.6570   3.9230   1.7570 -0.3236000 2.415000 
1 1 1    9   31    8 o   4.3150   1.2800   4.7490   1.8820   3.8810   1.7340 0.8676000 2.559000 
1 1 1    9   31    9 o   3.0140   1.0310   2.6970   1.3330   3.3320   1.5740 -0.6349000 2.063000 
1 1 1    9   31   10 o   3.6500   1.1790   3.2400   1.5350   4.0590   1.7910 -0.8192000 2.359000 
1 1 1    9   31   11 o   3.3190   1.1310   3.5610   1.6770   3.0770   1.5170 0.4838000 2.261000 
1 1 1    9   31   12 o   3.9230   1.2680   3.9430   1.7940   3.9030   1.7920 0.4009000E-01 2.536000 
1 1 1    9   31   13 o   2.6960   0.9553   2.5660   1.2950   2.8260   1.4050 -0.2599000 1.911000 
1 1 1    9   31   14 o   2.9150   0.9992   3.2500   1.5320   2.5800   1.2830 0.6697000 1.998000 
1 1 1    9   31   15 o   2.4150   0.8638   2.5590   1.2840   2.2710   1.1560 0.2882000 1.728000 
1 1 1    9   31   16 o   2.5230   0.9027   2.0080   1.0310   3.0380   1.4820 -1.030000 1.805000 
1 1 1    9   33    0 o   2.9810   1.0350   2.8620   1.4110   3.1000   1.5150 -0.2375000 2.070000 
1 1 1    9   33    1 o   5.5570   1.3690   6.9640   2.0110   4.1510   1.8570 2.813000 2.737000 
1 1 1    9   33    2 o   6.0240   1.3160   8.1060   1.9170   3.9420   1.8030 4.163000 2.631000 
1 1 1    9   33    3 o   3.8910   1.2500   3.2630   1.5720   4.5200   1.9440 -1.257000 2.500000 
1 1 1    9   33    4 o   4.7090   1.3920   4.9820   2.0050   4.4360   1.9310 0.5462000 2.784000 
1 1 1    9   33    5 o   5.4230   1.4670   5.3110   2.0480   5.5360   2.1010 -0.2249000 2.934000 
1 1 1    9   33    6 o   3.2640   1.1130   2.9170   1.4400   3.6110   1.6960 -0.6941000 2.225000 
1 1 1    9   33    7 o   3.1340   1.0780   2.5650   1.2940   3.7040   1.7240 -1.139000 2.156000 
1 1 1    9   33    8 f   2.7590   0.9596   2.9040   1.4120   2.6130   1.3000 0.2908000 1.919000 
1 1 1    9   33    9 o   2.3130   0.8258   2.3280   1.1740   2.2980   1.1620 0.3019000E-01 1.652000 
1 1 1    9   33   10 o   2.3160   0.8316   2.2920   1.1650   2.3400   1.1870 -0.4814000E-01 1.663000 
1 1 1    9   33   11 o   2.6160   0.9245   2.9460   1.4390   2.2860   1.1610 0.6602000 1.849000 
1 1 1    9   35    0 o   2.1140   1.0970   2.1140   1.0970  ?   ?       ?      ? 
1 1 1    9   35    1 o   1.3010   0.6791   1.3010   0.6791  ?   ?       ?      ? 
1 1 1   10    0    0 o   68.650   0.6107   68.650   0.6107   68.650   0.6107 -0.000000 0.000000 
1 1 1   10    0    1 o   6.4120   0.3168   6.4120   0.3168   6.4120   0.3168 -0.000000 0.000000 
1 1 1   10    0    2 o   58.250   0.5212   58.250   0.5212   58.250   0.5212 -0.000000 0.000000 
1 1 1   10    0    3 o   63.960   0.8087   63.960   0.8087   63.960   0.8087 -0.000000 0.000000 
1 1 1   10    0    4 o   45.770   0.4178   45.770   0.4178   45.770   0.4178 -0.000000 0.000000 
1 1 1   10    0    5 o  150.900   1.3400  150.900   1.3400  150.900   1.3400 -0.000000 0.000000 
1 1 1   10    0    6 o   80.260   0.7183   80.260   0.7183   80.260   0.7183 0.000000 0.000000 
1 1 1   10    0    7 o   64.720   0.5843   64.720   0.5843   64.720   0.5843 0.000000 0.000000 
1 1 1   10    0    8 o   48.950   0.6437   48.950   0.6437   48.950   0.6437 -0.000000 0.000000 
1 1 1   10    0    9 o   53.450   0.6981   53.450   0.6981   53.450   0.6981 0.000000 0.000000 
1 1 1   10    0   10 o   15.130   0.3690   15.130   0.3690   15.130   0.3690 -0.000000 0.000000 
1 1 1   10    0   11 o   14.200   0.4061   14.200   0.4061   14.200   0.4061 -0.000000 0.000000 
1 1 1   10    0   12 o   61.790   0.5680   61.790   0.5680   61.790   0.5680 -0.000000 0.000000 
1 1 1   10    0   13 o   14.070   0.4871   14.070   0.4871   14.070   0.4871 -0.000000 0.000000 
1 1 1   10    0   14 o   66.600   0.6137   66.600   0.6137   66.600   0.6137 0.000000 0.000000 
1 1 1   10    0   15 o   28.210   0.3979   28.210   0.3979   28.210   0.3979 0.000000 0.000000 
1 1 1   10    0   16 o   65.510   0.6121   65.510   0.6121   65.510   0.6121 0.000000 0.000000 
1 1 1   10    0   17 o   49.880   0.7066   49.880   0.7066   49.880   0.7066 0.000000 0.000000 
1 1 1   10    0   18 o   48.800   0.7100   48.800   0.7100   48.800   0.7100 -0.000000 0.000000 
1 1 1   10    0   19 o   1.6250   1.1800   1.6250   1.1800   1.6250   1.1800 0.000000 0.000000 
1 1 1   10    0   20 f   40.650   0.4856   40.650   0.4856   40.650   0.4856 -0.000000 0.000000 
1 1 1   10    0   21 o   8.7850   1.2420   8.7850   1.2420   8.7850   1.2420 -0.000000 0.000000 
1 1 1   10    0   22 f   35.380   0.6819   35.380   0.6819   35.380   0.6819 0.000000 0.000000 
1 1 1   10    0   23 o   22.800   0.5169   22.800   0.5169   22.800   0.5169 -0.000000 0.000000 
1 1 1   10    0   24 f   1.9250   1.3460   1.9250   1.3460   1.9250   1.3460 0.000000 0.000000 
1 1 1   10    0   25 o   23.880   0.4957   23.880   0.4957   23.880   0.4957 0.000000 0.000000 
1 1 1   10    0   26 o   3.5290   1.9500   3.5290   1.9500   3.5290   1.9500 0.000000 0.000000 
1 1 1   10    0   27 o   4.7270   2.0560   4.7270   2.0560   4.7270   2.0560 -0.000000 0.000000 
1 1 1   10    0   28 o   14.570   0.7434   14.570   0.7434   14.570   0.7434 0.000000 0.000000 
1 1 1   10    0   29 o   4.0110   2.0820   4.0110   2.0820   4.0110   2.0820 0.000000 0.000000 
1 1 1   10    0   30 o   2.3670   1.6600   2.3670   1.6600   2.3670   1.6600 -0.000000 0.000000 
1 1 1   10    0   31 o   2.5370   1.7000   2.5370   1.7000   2.5370   1.7000 -0.000000 0.000000 
1 1 1   10    0   32 o   2.1300   1.5060   2.1300   1.5060   2.1300   1.5060 -0.000000 0.000000 
1 1 1   10    0   33 o   3.5500   2.1360   3.5500   2.1360   3.5500   2.1360 -0.000000 0.000000 
1 1 1   10    0   34 o   2.9190   2.0280   2.9190   2.0280   2.9190   2.0280 0.000000 0.000000 
1 1 1   10    0   35 f   4.6570   2.3630   4.6570   2.3630   4.6570   2.3630 0.000000 0.000000 
1 1 1   10    0   36 o   2.7800   1.8340   2.7800   1.8340   2.7800   1.8340 0.000000 0.000000 
1 1 1   10    2    0 f   85.030   0.5350   85.060   0.7565   85.010   0.7569 0.5098000E-01 1.070000 
1 1 1   10    2    1 o   65.370   0.4759   65.670   0.6759   65.080   0.6702 0.5842000 0.9518000 
1 1 1   10    2    2 o   65.850   0.4801   65.650   0.6767   66.040   0.6811 -0.3889000 0.9601000 
1 1 1   10    2    3 o   68.890   0.5040   68.590   0.7099   69.200   0.7155 -0.6106000 1.008000 
1 1 1   10    2    4 o   58.020   0.4009   58.230   0.6085   57.810   0.5220 0.4281000 0.8017000 
1 1 1   10    2    5 o   97.900   0.6168   97.290   0.8670   98.500   0.8776 -1.206000 1.234000 
1 1 1   10    2    6 o  115.800   0.7294  115.600   1.0290  116.000   1.0340 -0.3609000 1.459000 
1 1 1   10    2    7 f   28.110   0.2306   27.820   0.3445   28.390   0.3066 -0.5612000 0.4611000 
1 1 1   10    2    8 o   88.210   0.7924   88.390   1.1230   88.040   1.1190 0.3444000 1.585000 
1 1 1   10    2    9 f   56.860   0.4268   56.760   0.6013   56.950   0.6057 -0.1871000 0.8535000 
1 1 1   10    2   10 o   24.750   0.2465   24.140   0.3160   25.360   0.3785 -1.221000 0.4931000 
1 1 1   10    2   11 f   17.450   0.2605   17.370   0.3614   17.530   0.3753 -0.1572000 0.5210000 
1 1 1   10    2   12 o   8.3720   0.4993   8.1260   0.7169   8.6190   0.6952 -0.4926000 0.9986000 
1 1 1   10    2   13 o   13.140   0.3536   12.980   0.4941   13.300   0.5059 -0.3270000 0.7072000 
1 1 1   10    2   14 o   17.990   0.3106   17.560   0.4405   18.420   0.4380 -0.8606000 0.6212000 
1 1 1   10    2   15 o   22.120   0.3007   22.080   0.4207   22.160   0.4297 -0.7816000E-01 0.6013000 
1 1 1   10    2   16 o   54.370   0.3729   54.560   0.5277   54.180   0.5269 0.3865000 0.7457000 
1 1 1   10    2   17 o   18.280   0.5429   17.980   0.7807   18.570   0.7546 -0.5899000 1.086000 
1 1 1   10    2   18 f   51.760   0.4316   51.700   0.6148   51.830   0.6060 -0.1273000 0.8632000 
1 1 1   10    2   19 o   31.260   0.3562   31.890   0.5288   30.630   0.4774 1.253000 0.7124000 
1 1 1   10    2   20 o   13.710   0.5686   12.980   0.8361   14.440   0.7708 -1.460000 1.137000 
1 1 1   10    2   21 o   15.440   0.5138   15.680   0.7038   15.200   0.7487 0.4805000 1.028000 
1 1 1   10    2   22 o   9.8450   1.2430   7.1000   2.0950   12.590   1.3370 -5.490000 2.486000 
1 1 1   10    2   23 o   11.580   0.6344   11.750   0.8712   11.410   0.9224 0.3343000 1.269000 
1 1 1   10    2   24 o   8.7890   0.8251   7.9900   1.2320   9.5880   1.0980 -1.598000 1.650000 
1 1 1   10    2   25 o   7.5230   0.9680   8.7850   1.1370   6.2610   1.5670 2.524000 1.936000 
1 1 1   10    2   26 o   9.7250   0.7436   10.500   0.9768   8.9450   1.1210 1.558000 1.487000 
1 1 1   10    2   27 o   5.0890   1.1660   5.9230   1.6390   4.2540   1.6590 1.669000 2.332000 
1 1 1   10    2   28 o   5.6590   1.1720   4.8090   1.7030   6.5090   1.6120 -1.700000 2.344000 
1 1 1   10    2   29 o   4.7200   1.2280   4.2090   1.6910   5.2300   1.7820 -1.021000 2.457000 
1 1 1   10    2   30 o   7.4780   1.4170   8.0640   1.9720   6.8930   2.0360 1.171000 2.834000 
1 1 1   10    2   31 o   3.4170   1.0960   2.8780   1.3820   3.9560   1.7020 -1.078000 2.193000 
1 1 1   10    2   32 o   6.1370   1.2390   4.3760   1.8070   7.8980   1.6950 -3.522000 2.478000 
1 1 1   10    2   33 o   4.1860   1.2690   4.2870   1.8200   4.0840   1.7690 0.2034000 2.538000 
1 1 1   10    2   34 o   4.3150   1.4100   4.5010   2.0520   4.1290   1.9360 0.3720000 2.821000 
1 1 1   10    2   35 o   3.3850   1.1220   3.3680   1.5900   3.4030   1.5850 -0.3549000E-01 2.244000 
1 1 1   10    2   36 o   2.7160   0.9481   2.4950   1.2490   2.9380   1.4270 -0.4430000 1.896000 
1 1 1   10    4    0 o   47.800   0.3083   47.330   0.4322   48.270   0.4398 -0.9416000 0.6166000 
1 1 1   10    4    1 o  108.000   0.7348  108.700   1.1170  107.200   0.9549 1.466000 1.470000 
1 1 1   10    4    2 o   59.570   0.4403   59.960   0.6267   59.180   0.6186 0.7760000 0.8806000 
1 1 1   10    4    3 o  103.900   0.7569  104.200   1.0730  103.600   1.0680 0.5988000 1.514000 
1 1 1   10    4    4 o   12.120   0.2367   12.300   0.3321   11.940   0.3374 0.3616000 0.4735000 
1 1 1   10    4    5 o   61.910   0.3966   61.970   0.5611   61.860   0.5606 0.1023000 0.7932000 
1 1 1   10    4    6 o   15.810   0.2227   15.830   0.3119   15.790   0.3179 0.3883000E-01 0.4454000 
1 1 1   10    4    7 o   47.650   0.3629   47.730   0.5137   47.570   0.5128 0.1541000 0.7259000 
1 1 1   10    4    8 o   58.850   0.4415   58.740   0.6229   58.960   0.6260 -0.2192000 0.8831000 
1 1 1   10    4    9 o   27.070   0.2314   27.100   0.3258   27.040   0.3288 0.6060000E-01 0.4628000 
1 1 1   10    4   10 o   11.330   0.3475   11.260   0.4772   11.410   0.5053 -0.1482000 0.6950000 
1 1 1   10    4   11 o   27.280   0.2452   27.290   0.3431   27.280   0.3505 0.6927000E-02 0.4905000 
1 1 1   10    4   12 o   40.480   0.2910   40.830   0.4122   40.140   0.4109 0.6856000 0.5820000 
1 1 1   10    4   13 o   42.040   0.3027   42.530   0.4301   41.550   0.4259 0.9708000 0.6053000 
1 1 1   10    4   14 o   36.380   0.2881   36.450   0.4055   36.310   0.4095 0.1429000 0.5762000 
1 1 1   10    4   15 o   56.440   0.3821   56.420   0.5386   56.460   0.5423 -0.3993000E-01 0.7643000 
1 1 1   10    4   16 o   44.710   0.3328   44.550   0.4658   44.870   0.4753 -0.3159000 0.6655000 
1 1 1   10    4   17 o   12.890   0.7595   11.910   1.1280   13.870   1.0180 -1.961000 1.519000 
1 1 1   10    4   18 o   12.000   0.6293   11.660   0.8873   12.330   0.8926 -0.6688000 1.259000 
1 1 1   10    4   19 o   27.280   0.3485   27.410   0.4859   27.150   0.4998 0.2532000 0.6971000 
1 1 1   10    4   20 o   12.780   0.6287   12.970   0.8443   12.600   0.9317 0.3767000 1.257000 
1 1 1   10    4   21 f   10.350   0.7518   10.300   1.0380   10.400   1.0880 -0.1079000 1.504000 
1 1 1   10    4   22 o   14.850   0.7631   15.500   0.9816   14.200   1.1690 1.304000 1.526000 
1 1 1   10    4   23 o   4.8580   1.1210   3.5080   1.5200   6.2080   1.6480 -2.700000 2.242000 
1 1 1   10    4   24 o   10.250   0.6983   9.9570   0.9671   10.540   1.0080 -0.5877000 1.397000 
1 1 1   10    4   25 o   8.2920   0.8564   7.6770   1.3060   8.9060   1.1080 -1.229000 1.713000 
1 1 1   10    4   26 o   4.1970   1.0160   5.7140   1.5760   2.6810   1.2830 3.033000 2.032000 
1 1 1   10    4   27 o   3.2690   1.0320   3.6870   1.5630   2.8500   1.3490 0.8364000 2.065000 
1 1 1   10    4   28 o   4.4480   1.1690   3.6570   1.5760   5.2400   1.7270 -1.583000 2.338000 
1 1 1   10    4   29 o   4.6560   1.2480   4.5060   1.7370   4.8060   1.7920 -0.3000000 2.495000 
1 1 1   10    4   30 o   6.7490   1.3420   8.8640   1.8370   4.6340   1.9560 4.230000 2.684000 
1 1 1   10    4   31 o   3.6110   1.1430   3.2000   1.4940   4.0230   1.7310 -0.8230000 2.287000 
1 1 1   10    4   32 o   4.0140   1.2350   3.8700   1.7110   4.1590   1.7800 -0.2898000 2.469000 
1 1 1   10    4   33 o   5.8860   1.3920   6.4270   1.9580   5.3450   1.9800 1.082000 2.784000 
1 1 1   10    4   34 o   6.6180   1.4790   8.8930   2.1670   4.3420   2.0140 4.551000 2.958000 
1 1 1   10    4   35 o   2.8600   0.9877   2.5680   1.2840   3.1520   1.5010 -0.5832000 1.975000 
1 1 1   10    4   36 o   2.7830   0.9696   2.5540   1.2760   3.0130   1.4600 -0.4595000 1.939000 
1 1 1   10    6    0 o   99.230   0.7228   99.450   1.0250   99.020   1.0200 0.4331000 1.446000 
1 1 1   10    6    1 o   44.080   0.3148   44.430   0.4168   43.720   0.4718 0.7053000 0.6295000 
1 1 1   10    6    2 o   51.410   0.3613   51.280   0.5442   51.540   0.4754 -0.2628000 0.7226000 
1 1 1   10    6    3 o   51.360   0.3357   51.590   0.4767   51.120   0.4729 0.4663000 0.6714000 
1 1 1   10    6    4 o   32.290   0.2397   32.660   0.3404   31.930   0.3377 0.7279000 0.4795000 
1 1 1   10    6    5 o   6.0600   0.6154   6.4550   0.8047   5.6650   0.9313 0.7903000 1.231000 
1 1 1   10    6    6 o   3.8680   0.8648   3.6010   1.2220   4.1360   1.2240 -0.5350000 1.730000 
1 1 1   10    6    7 o   20.230   0.2774   20.480   0.3829   19.970   0.4014 0.5047000 0.5547000 
1 1 1   10    6    8 o   21.300   0.3120   21.130   0.4729   21.470   0.4072 -0.3325000 0.6241000 
1 1 1   10    6    9 o   38.810   0.2790   38.760   0.3924   38.850   0.3969 -0.8693000E-01 0.5581000 
1 1 1   10    6   10 o   29.630   0.2523   29.840   0.3545   29.420   0.3590 0.4151000 0.5045000 
1 1 1   10    6   11 o   50.440   0.3417   50.480   0.4825   50.390   0.4839 0.9296000E-01 0.6833000 
1 1 1   10    6   12 o   20.130   0.2873   20.240   0.3961   20.030   0.4162 0.2119000 0.5745000 
1 1 1   10    6   13 o   85.800   0.5504   85.930   0.7788   85.660   0.7778 0.2659000 1.101000 
1 1 1   10    6   14 o   86.430   0.5553   86.800   0.7879   86.060   0.7827 0.7354000 1.111000 
1 1 1   10    6   15 o   50.220   0.3581   50.010   0.5029   50.420   0.5099 -0.4143000 0.7162000 
1 1 1   10    6   16 o   42.840   0.4669   42.420   0.6490   43.270   0.6715 -0.8525000 0.9339000 
1 1 1   10    6   17 o   22.890   0.4373   23.120   0.6021   22.670   0.6342 0.4587000 0.8745000 
1 1 1   10    6   18 o   4.1610   1.1890   4.2770   1.6700   4.0450   1.6950 0.2322000 2.379000 
1 1 1   10    6   19 o   21.290   0.4146   21.640   0.5573   20.940   0.6139 0.7035000 0.8291000 
1 1 1   10    6   20 o   17.930   0.5029   18.220   0.6224   17.650   0.7901 0.5631000 1.006000 
1 1 1   10    6   21 o   14.090   0.8584   13.160   1.2330   15.030   1.1950 -1.861000 1.717000 
1 1 1   10    6   22 o   31.210   0.4188   32.160   0.5988   30.250   0.5856 1.910000 0.8375000 
1 1 1   10    6   23 o   7.1930   1.0180   8.4990   1.1370   5.8870   1.6890 2.612000 2.037000 
1 1 1   10    6   24 o   18.370   0.4308   18.500   0.5748   18.230   0.6418 0.2676000 0.8615000 
1 1 1   10    6   25 o   10.160   0.7807   11.580   0.8540   8.7390   1.3070 2.837000 1.561000 
1 1 1   10    6   26 o   14.510   0.5262   14.450   0.7081   14.570   0.7787 -0.1212000 1.052000 
1 1 1   10    6   27 o   13.410   0.5643   12.770   0.8085   14.050   0.7874 -1.273000 1.129000 
1 1 1   10    6   28 o   8.5800   0.9640   9.3950   1.1760   7.7640   1.5280 1.631000 1.928000 
1 1 1   10    6   29 o   4.8090   1.3670   5.2760   1.9660   4.3410   1.9010 0.9348000 2.735000 
1 1 1   10    6   30 o   3.9770   1.2480   3.7400   1.7050   4.2140   1.8230 -0.4739000 2.496000 
1 1 1   10    6   31 o   4.2680   1.2320   5.0920   1.8740   3.4440   1.6010 1.648000 2.464000 
1 1 1   10    6   32 o   4.5180   1.3200   5.0520   1.9700   3.9850   1.7580 1.067000 2.640000 
1 1 1   10    6   33 o   3.5120   1.1860   3.2390   1.5760   3.7860   1.7730 -0.5467000 2.372000 
1 1 1   10    6   34 o   3.1030   1.0970   2.9910   1.4980   3.2140   1.6040 -0.2230000 2.195000 
1 1 1   10    6   35 o   2.6950   0.9436   2.5820   1.2900   2.8080   1.3770 -0.2263000 1.887000 
1 1 1   10    8    0 o   43.050   0.3357   43.270   0.4759   42.830   0.4734 0.4355000 0.6713000 
1 1 1   10    8    1 o   59.640   0.4451   59.810   0.6311   59.470   0.6279 0.3344000 0.8902000 
1 1 1   10    8    2 o   11.440   0.3806   11.420   0.5388   11.460   0.5376 -0.4359000E-01 0.7611000 
1 1 1   10    8    3 o   66.390   0.5510   66.440   0.8537   66.340   0.6967 0.1036000 1.102000 
1 1 1   10    8    4 o   27.860   0.2406   27.880   0.3413   27.840   0.3393 0.3698000E-01 0.4813000 
1 1 1   10    8    5 o   38.020   0.3192   38.150   0.4520   37.890   0.4508 0.2674000 0.6384000 
1 1 1   10    8    6 o   78.890   0.5844   79.510   0.8326   78.280   0.8203 1.229000 1.169000 
1 1 1   10    8    7 o   19.650   0.2890   20.480   0.4301   18.820   0.3862 1.666000 0.5780000 
1 1 1   10    8    8 o   48.270   0.3291   48.440   0.4656   48.100   0.4652 0.3365000 0.6582000 
1 1 1   10    8    9 o   32.810   0.2674   33.220   0.3786   32.400   0.3777 0.8209000 0.5348000 
1 1 1   10    8   10 o   7.3650   0.6761   7.6300   0.8976   7.1000   1.0110 0.5302000 1.352000 
1 1 1   10    8   11 o  102.700   0.6538  103.100   0.9280  102.300   0.9214 0.8033000 1.308000 
1 1 1   10    8   12 o   49.080   0.3429   49.190   0.4855   48.980   0.4844 0.2097000 0.6858000 
1 1 1   10    8   13 o   4.1520   1.0680   4.8570   1.5590   3.4480   1.4590 1.409000 2.135000 
1 1 1   10    8   14 o   47.600   0.3466   47.610   0.4905   47.600   0.4897 0.8926000E-02 0.6931000 
1 1 1   10    8   15 o   37.350   0.3636   37.560   0.5062   37.130   0.5222 0.4285000 0.7273000 
1 1 1   10    8   16 o   11.640   0.7924   11.600   1.1450   11.680   1.0960 -0.7446000E-01 1.585000 
1 1 1   10    8   17 o   24.520   0.3671   24.880   0.5024   24.160   0.5354 0.7187000 0.7342000 
1 1 1   10    8   18 o   21.650   0.4077   21.420   0.5465   21.880   0.6053 -0.4635000 0.8155000 
1 1 1   10    8   19 o   19.660   0.4336   20.380   0.5805   18.930   0.6443 1.452000 0.8672000 
1 1 1   10    8   20 o   17.950   0.5487   17.420   0.7914   18.470   0.7604 -1.045000 1.097000 
1 1 1   10    8   21 o   30.280   0.4964   30.240   0.6893   30.330   0.7147 -0.9142000E-01 0.9929000 
1 1 1   10    8   22 o   16.610   0.4585   16.930   0.6239   16.290   0.6720 0.6405000 0.9170000 
1 1 1   10    8   23 o   15.380   0.4853   15.600   0.6631   15.160   0.7088 0.4361000 0.9706000 
1 1 1   10    8   24 o   13.210   0.5634   13.800   0.7315   12.620   0.8571 1.182000 1.127000 
1 1 1   10    8   25 o   14.660   0.5184   15.250   0.6694   14.070   0.7916 1.177000 1.037000 
1 1 1   10    8   26 o   3.1890   1.0260   2.9060   1.3640   3.4720   1.5320 -0.5658000 2.051000 
1 1 1   10    8   27 o   12.790   0.6142   12.620   0.8253   12.960   0.9098 -0.3336000 1.228000 
1 1 1   10    8   28 o   6.5930   1.1860   7.5310   1.4930   5.6540   1.8430 1.877000 2.372000 
1 1 1   10    8   29 o   3.6470   1.2120   3.6700   1.7170   3.6250   1.7110 0.4474000E-01 2.424000 
1 1 1   10    8   30 f   4.0160   1.2010   3.5390   1.5940   4.4920   1.7970 -0.9526000 2.402000 
1 1 1   10    8   31 f   4.2400   1.2090   3.0160   1.4510   5.4650   1.9350 -2.449000 2.418000 
1 1 1   10    8   32 o   3.3950   1.1190   2.9380   1.4250   3.8530   1.7250 -0.9150000 2.238000 
1 1 1   10    8   33 f   3.6080   1.2450   2.9760   1.4940   4.2410   1.9920 -1.266000 2.490000 
1 1 1   10    8   34 o   3.1730   1.0730   3.2390   1.5420   3.1080   1.4920 0.1317000 2.146000 
1 1 1   10    8   35 o   2.1490   0.7746   2.3220   1.1720   1.9760   1.0130 0.3462000 1.549000 
1 1 1   10   10    0 o   35.840   0.2679   35.960   0.3802   35.730   0.3775 0.2251000 0.5358000 
1 1 1   10   10    1 o   34.600   0.2875   35.410   0.4370   33.780   0.3736 1.633000 0.5749000 
1 1 1   10   10    2 o   18.780   0.3203   18.250   0.4588   19.320   0.4471 -1.063000 0.6407000 
1 1 1   10   10    3 o   32.810   0.3051   34.140   0.4321   31.490   0.4310 2.653000 0.6103000 
1 1 1   10   10    4 o   65.320   0.4914   65.090   0.6924   65.540   0.6976 -0.4545000 0.9828000 
1 1 1   10   10    5 o   27.620   0.2830   28.010   0.4284   27.230   0.3699 0.7753000 0.5660000 
1 1 1   10   10    6 o   46.750   0.3248   47.090   0.4616   46.410   0.4570 0.6738000 0.6496000 
1 1 1   10   10    7 o   32.730   0.2753   32.960   0.3893   32.510   0.3894 0.4430000 0.5507000 
1 1 1   10   10    8 o   48.750   0.3917   49.710   0.5658   47.790   0.5418 1.921000 0.7834000 
1 1 1   10   10    9 o   62.780   0.4151   62.670   0.5848   62.890   0.5891 -0.2174000 0.8301000 
1 1 1   10   10   10 f   40.210   0.3081   40.340   0.4342   40.070   0.4372 0.2770000 0.6161000 
1 1 1   10   10   11 o   24.370   0.3106   24.390   0.4316   24.350   0.4468 0.3822000E-01 0.6212000 
1 1 1   10   10   12 o   26.550   0.3114   26.490   0.4311   26.610   0.4496 -0.1219000 0.6228000 
1 1 1   10   10   13 o   17.330   0.4581   17.020   0.6384   17.640   0.6573 -0.6146000 0.9163000 
1 1 1   10   10   14 o   36.250   0.3639   36.610   0.5098   35.880   0.5194 0.7267000 0.7277000 
1 1 1   10   10   15 o   20.480   0.4989   20.380   0.7305   20.570   0.6798 -0.1915000 0.9978000 
1 1 1   10   10   16 o   48.230   0.3691   48.200   0.5211   48.270   0.5227 -0.7892000E-01 0.7381000 
1 1 1   10   10   17 o   16.380   0.5083   16.140   0.7177   16.610   0.7199 -0.4765000 1.017000 
1 1 1   10   10   18 o   22.110   0.3957   22.180   0.5440   22.030   0.5748 0.1503000 0.7914000 
1 1 1   10   10   19 o   46.410   0.4182   46.190   0.5963   46.630   0.5866 -0.4365000 0.8364000 
1 1 1   10   10   20 o   9.9910   1.1940   8.7140   1.7530   11.270   1.6200 -2.554000 2.387000 
1 1 1   10   10   21 o   3.9130   1.1460   3.7710   1.5680   4.0550   1.6700 -0.2841000 2.291000 
1 1 1   10   10   22 o   17.710   0.4430   17.730   0.5967   17.690   0.6549 0.3823000E-01 0.8860000 
1 1 1   10   10   23 o   5.3390   1.1960   5.0680   1.6640   5.6110   1.7190 -0.5431000 2.393000 
1 1 1   10   10   24 o   6.8050   1.0900   6.3990   1.5530   7.2120   1.5300 -0.8128000 2.180000 
1 1 1   10   10   25 o   4.6530   1.1830   5.1220   1.6700   4.1840   1.6770 0.9384000 2.367000 
1 1 1   10   10   26 o   10.280   0.7747   11.190   0.9448   9.3720   1.2280 1.820000 1.549000 
1 1 1   10   10   27 o   13.730   0.5984   12.140   0.9029   15.310   0.7855 -3.176000 1.197000 
1 1 1   10   10   28 o   5.0330   1.4180   5.0600   1.9700   5.0050   2.0400 0.5480000E-01 2.836000 
1 1 1   10   10   29 o   6.4480   1.3560   5.1850   1.9670   7.7100   1.8680 -2.525000 2.713000 
1 1 1   10   10   30 o   6.3910   1.3580   6.1600   1.9080   6.6220   1.9330 -0.4629000 2.716000 
1 1 1   10   10   31 o   4.0310   1.2480   3.9180   1.7270   4.1450   1.8040 -0.2274000 2.497000 
1 1 1   10   10   32 o   4.5550   1.3760   5.0110   2.0250   4.0990   1.8630 0.9126000 2.751000 
1 1 1   10   10   33 o   4.8350   1.5050   4.7050   2.0820   4.9660   2.1740 -0.2606000 3.010000 
1 1 1   10   10   34 o   3.1470   1.0630   2.8230   1.3870   3.4700   1.6110 -0.6469000 2.126000 
1 1 1   10   12    0 o   30.070   0.2655   30.370   0.3761   29.770   0.3748 0.5982000 0.5310000 
1 1 1   10   12    1 o   19.310   0.2995   19.080   0.4242   19.540   0.4228 -0.4661000 0.5989000 
1 1 1   10   12    2 o   36.680   0.2841   36.430   0.4000   36.920   0.4036 -0.4888000 0.5683000 
1 1 1   10   12    3 o   53.410   0.3893   52.630   0.5814   54.200   0.5178 -1.564000 0.7786000 
1 1 1   10   12    4 o   80.660   0.5185   80.060   0.7274   81.270   0.7390 -1.207000 1.037000 
1 1 1   10   12    5 o   18.510   0.3305   18.870   0.4474   18.160   0.4865 0.7117000 0.6609000 
1 1 1   10   12    6 o   48.970   0.3443   49.370   0.4895   48.560   0.4844 0.8106000 0.6887000 
1 1 1   10   12    7 o   41.170   0.3131   41.500   0.4433   40.850   0.4421 0.6482000 0.6261000 
1 1 1   10   12    8 o   17.630   0.4255   18.060   0.5197   17.210   0.6739 0.8528000 0.8510000 
1 1 1   10   12    9 f   25.800   0.3196   26.060   0.4448   25.550   0.4590 0.5146000 0.6392000 
1 1 1   10   12   10 o   10.370   0.6546   10.360   0.9059   10.380   0.9452 -0.1834000E-01 1.309000 
1 1 1   10   12   11 o   16.050   0.5007   16.090   0.6970   16.020   0.7189 0.6477000E-01 1.001000 
1 1 1   10   12   12 o   32.620   0.3659   32.930   0.5134   32.300   0.5215 0.6279000 0.7318000 
1 1 1   10   12   13 o   5.5330   1.3540   6.4180   1.9560   4.6480   1.8740 1.769000 2.708000 
1 1 1   10   12   14 o   31.720   0.4218   31.970   0.6055   31.470   0.5875 0.5003000 0.8437000 
1 1 1   10   12   15 o   32.530   0.3703   32.850   0.5424   32.210   0.5043 0.6443000 0.7406000 
1 1 1   10   12   16 o   12.740   0.6678   11.920   0.9717   13.560   0.9164 -1.638000 1.336000 
1 1 1   10   12   17 o   19.460   0.4572   19.340   0.6274   19.590   0.6652 -0.2461000 0.9144000 
1 1 1   10   12   18 o   17.110   0.5492   17.250   0.7507   16.970   0.8019 0.2753000 1.098000 
1 1 1   10   12   19 o   9.9910   1.0790   9.8560   1.2660   10.130   1.7470 -0.2698000 2.158000 
1 1 1   10   12   20 o   5.3710   1.0980   7.0170   1.5040   3.7250   1.6000 3.292000 2.196000 
1 1 1   10   12   21 o   13.450   0.5610   12.540   0.8201   14.360   0.7658 -1.818000 1.122000 
1 1 1   10   12   22 o   12.290   0.5975   12.210   0.8206   12.380   0.8686 -0.1690000 1.195000 
1 1 1   10   12   23 o   8.4090   0.9132   8.4740   1.2230   8.3430   1.3560 0.1306000 1.826000 
1 1 1   10   12   24 o   12.120   0.6182   12.200   0.8274   12.030   0.9188 0.1703000 1.236000 
1 1 1   10   12   25 o   14.970   0.5217   15.080   0.7187   14.850   0.7564 0.2265000 1.043000 
1 1 1   10   12   26 o   12.140   0.6685   11.050   0.9771   13.230   0.9126 -2.180000 1.337000 
1 1 1   10   12   27 o   9.6740   1.0660   8.8890   1.3850   10.460   1.6210 -1.571000 2.132000 
1 1 1   10   12   28 o   6.4710   1.4150   6.4570   1.9900   6.4860   2.0130 -0.2829000E-01 2.831000 
1 1 1   10   12   29 o   3.4550   1.1210   3.7060   1.6430   3.2050   1.5240 0.5011000 2.241000 
1 1 1   10   12   30 o   3.2050   1.0810   3.2660   1.5430   3.1440   1.5160 0.1222000 2.163000 
1 1 1   10   12   31 o   4.0840   1.2470   4.5830   1.8580   3.5850   1.6660 0.9982000 2.495000 
1 1 1   10   12   32 f   3.2860   1.1510   3.2390   1.5950   3.3330   1.6590 -0.9429000E-01 2.301000 
1 1 1   10   12   33 f   3.0490   1.0420   2.9370   1.4330   3.1610   1.5130 -0.2242000 2.084000 
1 1 1   10   12   34 o   2.2000   0.7911   2.0620   1.0550   2.3380   1.1790 -0.2757000 1.582000 
1 1 1   10   14    0 o   94.090   0.6008   94.300   0.8517   93.890   0.8477 0.4092000 1.202000 
1 1 1   10   14    1 o   28.390   0.2947   29.000   0.4165   27.790   0.4170 1.211000 0.5894000 
1 1 1   10   14    2 o   24.760   0.3090   25.390   0.4346   24.140   0.4393 1.251000 0.6179000 
1 1 1   10   14    3 o   69.150   0.4544   69.530   0.6452   68.780   0.6401 0.7521000 0.9088000 
1 1 1   10   14    4 o   12.190   0.5494   12.280   0.7576   12.090   0.7958 0.1906000 1.099000 
1 1 1   10   14    5 o   50.370   0.3591   50.940   0.5088   49.790   0.5069 1.151000 0.7182000 
1 1 1   10   14    6 o   80.620   0.5230   81.270   0.7441   79.960   0.7353 1.308000 1.046000 
1 1 1   10   14    7 o   3.7040   1.1050   4.0120   1.6150   3.3970   1.5080 0.6156000 2.209000 
1 1 1   10   14    8 o   76.640   0.5788   77.200   0.8223   76.080   0.8148 1.117000 1.158000 
1 1 1   10   14    9 o   42.060   0.3868   42.630   0.5429   41.480   0.5511 1.150000 0.7736000 
1 1 1   10   14   10 f   48.280   0.4164   48.190   0.5838   48.380   0.5938 -0.1864000 0.8327000 
1 1 1   10   14   11 o   43.040   0.4197   42.750   0.5960   43.340   0.5910 -0.5849000 0.8393000 
1 1 1   10   14   12 o   37.520   0.4151   37.970   0.5935   37.070   0.5805 0.9036000 0.8302000 
1 1 1   10   14   13 o   7.0230   1.1900   8.2540   1.4430   5.7930   1.8930 2.462000 2.380000 
1 1 1   10   14   14 o   5.7360   1.2060   4.2030   1.7280   7.2690   1.6840 -3.065000 2.412000 
1 1 1   10   14   15 o   7.1900   1.1720   6.5050   1.7150   7.8750   1.5970 -1.370000 2.343000 
1 1 1   10   14   16 o   4.6430   1.3140   4.4880   1.8400   4.7990   1.8760 -0.3108000 2.628000 
1 1 1   10   14   17 o   11.230   0.8488   11.600   1.1540   10.860   1.2450 0.7393000 1.698000 
1 1 1   10   14   18 o   12.440   0.7736   12.990   0.9377   11.890   1.2310 1.103000 1.547000 
1 1 1   10   14   19 o   4.4860   1.1980   4.8590   1.7110   4.1120   1.6780 0.7471000 2.396000 
1 1 1   10   14   20 o   19.420   0.4302   19.800   0.5801   19.050   0.6355 0.7490000 0.8604000 
1 1 1   10   14   21 o   13.170   0.5848   12.000   0.8642   14.350   0.7882 -2.347000 1.170000 
1 1 1   10   14   22 o   13.570   0.5629   12.730   0.8126   14.410   0.7791 -1.684000 1.126000 
1 1 1   10   14   23 o   10.780   0.7292   11.510   0.9186   10.050   1.1330 1.464000 1.458000 
1 1 1   10   14   24 o   3.8450   1.1490   4.0470   1.6440   3.6440   1.6070 0.4031000 2.299000 
1 1 1   10   14   25 o   14.600   0.6094   15.540   0.8344   13.660   0.8885 1.881000 1.219000 
1 1 1   10   14   26 o   4.6080   1.1540   6.2560   1.8140   2.9600   1.4270 3.296000 2.308000 
1 1 1   10   14   27 o   4.1270   1.2780   4.5940   1.9200   3.6600   1.6880 0.9343000 2.556000 
1 1 1   10   14   28 o   6.9110   1.3140   7.0140   1.8010   6.8090   1.9140 0.2053000 2.628000 
1 1 1   10   14   29 o   5.0860   1.3320   4.2170   1.7750   5.9560   1.9870 -1.739000 2.664000 
1 1 1   10   14   30 o   4.5870   1.2570   3.2290   1.5310   5.9440   1.9950 -2.716000 2.515000 
1 1 1   10   14   31 o   4.3120   1.4150   4.2810   1.9740   4.3440   2.0270 -0.6308000E-01 2.829000 
1 1 1   10   14   32 o   4.5690   1.3050   4.1260   1.7800   5.0130   1.9090 -0.8861000 2.610000 
1 1 1   10   14   33 o   2.9940   1.0200   3.1040   1.4810   2.8840   1.4030 0.2202000 2.040000 
1 1 1   10   16    0 f   35.090   0.3174   35.080   0.4485   35.100   0.4494 -0.1525000E-01 0.6349000 
1 1 1   10   16    1 o   31.260   0.3204   31.460   0.4532   31.060   0.4530 0.3966000 0.6408000 
1 1 1   10   16    2 o   28.850   0.3599   28.980   0.5384   28.710   0.4779 0.2628000 0.7199000 
1 1 1   10   16    3 o   19.060   0.4917   19.230   0.6828   18.890   0.7079 0.3420000 0.9835000 
1 1 1   10   16    4 o   41.750   0.3914   41.830   0.5493   41.660   0.5576 0.1697000 0.7828000 
1 1 1   10   16    5 o   35.610   0.4293   35.480   0.6534   35.740   0.5571 -0.2600000 0.8587000 
1 1 1   10   16    6 o   89.870   0.6731   89.750   0.9503   89.990   0.9536 -0.2471000 1.346000 
1 1 1   10   16    7 o   53.030   0.3902   53.030   0.5462   53.030   0.5573 0.1949000E-02 0.7803000 
1 1 1   10   16    8 o   47.420   0.4002   48.060   0.6025   46.780   0.5269 1.282000 0.8004000 
1 1 1   10   16    9 o   83.800   0.6397   83.250   0.9012   84.340   0.9082 -1.094000 1.279000 
1 1 1   10   16   10 o   34.820   0.4362   34.030   0.6244   35.610   0.6093 -1.580000 0.8724000 
1 1 1   10   16   11 o   54.370   0.4025   54.330   0.5679   54.400   0.5704 -0.7769000E-01 0.8050000 
1 1 1   10   16   12 f   34.200   0.3629   34.210   0.5052   34.180   0.5209 0.2533000E-01 0.7257000 
1 1 1   10   16   13 o   17.480   0.5195   17.320   0.7193   17.650   0.7498 -0.3257000 1.039000 
1 1 1   10   16   14 o   5.1910   1.3460   4.4710   1.8240   5.9110   1.9800 -1.440000 2.692000 
1 1 1   10   16   15 o   10.780   1.2220   8.8120   2.2080   12.750   1.0470 -3.941000 2.444000 
1 1 1   10   16   16 o   13.440   0.7423   13.990   0.9221   12.890   1.1640 1.106000 1.485000 
1 1 1   10   16   17 o   23.880   0.4477   23.890   0.6015   23.880   0.6634 0.1249000E-01 0.8955000 
1 1 1   10   16   18 o   4.4410   1.1350   3.1610   1.4470   5.7200   1.7490 -2.559000 2.270000 
1 1 1   10   16   19 o   15.720   0.5195   15.710   0.7161   15.740   0.7528 -0.3157000E-01 1.039000 
1 1 1   10   16   20 o   4.4200   1.0560   6.1630   1.6620   2.6770   1.3010 3.486000 2.111000 
1 1 1   10   16   21 o   10.170   0.7743   10.280   1.0590   10.050   1.1300 0.2285000 1.549000 
1 1 1   10   16   22 o   5.7990   1.2540   5.5120   1.7500   6.0850   1.7970 -0.5727000 2.508000 
1 1 1   10   16   23 o   6.8350   1.1800   7.1300   1.5760   6.5390   1.7580 0.5913000 2.361000 
1 1 1   10   16   24 o   7.5500   1.1340   8.9100   1.3160   6.1890   1.8480 2.721000 2.269000 
1 1 1   10   16   25 o   8.9190   1.2410   9.4540   1.3860   8.3840   2.0600 1.071000 2.483000 
1 1 1   10   16   26 o   4.1930   1.3030   4.2460   1.8450   4.1400   1.8400 0.1062000 2.606000 
1 1 1   10   16   27 o   2.9630   1.0150   2.9670   1.4300   2.9590   1.4400 0.8483000E-02 2.029000 
1 1 1   10   16   28 f   4.0140   1.2430   4.1730   1.7790   3.8560   1.7370 0.3172000 2.486000 
1 1 1   10   16   29 o   4.5830   1.3010   5.2350   1.9110   3.9320   1.7660 1.303000 2.602000 
1 1 1   10   16   30 o   3.5800   1.2350   3.6620   1.7650   3.4980   1.7270 0.1636000 2.469000 
1 1 1   10   16   31 o   2.3800   0.8471   2.3060   1.1630   2.4530   1.2320 -0.1475000 1.694000 
1 1 1   10   16   32 o   2.3020   0.8226   2.4120   1.2110   2.1920   1.1140 0.2200000 1.645000 
1 1 1   10   18    0 o   23.290   0.4116   23.190   0.5822   23.380   0.5819 -0.1993000 0.8232000 
1 1 1   10   18    1 o   52.520   0.3845   52.490   0.5436   52.550   0.5438 -0.5684000E-01 0.7689000 
1 1 1   10   18    2 o   15.450   0.5868   15.950   0.8099   14.950   0.8493 1.003000 1.174000 
1 1 1   10   18    3 o   37.750   0.3803   37.730   0.4963   37.770   0.5765 -0.3844000E-01 0.7607000 
1 1 1   10   18    4 o   69.520   0.5446   69.690   0.7705   69.340   0.7697 0.3466000 1.089000 
1 1 1   10   18    5 o   11.010   1.0700   9.0030   1.7730   13.010   1.1980 -4.011000 2.140000 
1 1 1   10   18    6 o   15.860   0.7233   16.610   0.9579   15.100   1.0840 1.514000 1.447000 
1 1 1   10   18    7 o   5.7420   1.4680   4.9700   2.0040   6.5150   2.1470 -1.544000 2.937000 
1 1 1   10   18    8 o   24.120   0.4490   24.160   0.5674   24.090   0.6961 0.6742000E-01 0.8981000 
1 1 1   10   18    9 o   9.4040   0.9803   8.5050   1.4590   10.300   1.3090 -1.797000 1.961000 
1 1 1   10   18   10 o   11.840   0.7743   11.600   1.0900   12.080   1.1000 -0.4799000 1.549000 
1 1 1   10   18   11 o   12.070   0.8606   11.000   1.3100   13.150   1.1160 -2.156000 1.721000 
1 1 1   10   18   12 o   35.780   0.4146   35.900   0.5886   35.670   0.5839 0.2328000 0.8291000 
1 1 1   10   18   13 o   33.200   0.4201   33.560   0.6006   32.830   0.5877 0.7316000 0.8403000 
1 1 1   10   18   14 o   16.780   0.6195   15.890   0.8319   17.670   0.9181 -1.786000 1.239000 
1 1 1   10   18   15 f   17.350   0.5898   16.400   0.8056   18.300   0.8617 -1.904000 1.180000 
1 1 1   10   18   16 o   13.080   0.6186   12.720   0.8832   13.440   0.8666 -0.7155000 1.237000 
1 1 1   10   18   17 o   12.780   0.6218   12.920   0.8570   12.640   0.9011 0.2827000 1.244000 
1 1 1   10   18   18 o   4.8330   1.0490   2.8150   1.3390   6.8510   1.6150 -4.035000 2.098000 
1 1 1   10   18   19 o   3.5330   1.1040   3.6750   1.5890   3.3900   1.5340 0.2846000 2.209000 
1 1 1   10   18   20 o   3.4500   1.0770   4.0410   1.6530   2.8580   1.3790 1.183000 2.153000 
1 1 1   10   18   21 o   6.6370   1.1980   6.3920   1.6790   6.8820   1.7090 -0.4897000 2.396000 
1 1 1   10   18   22 o   6.9110   1.2070   7.4000   1.5980   6.4230   1.8100 0.9771000 2.414000 
1 1 1   10   18   23 o   10.370   0.9114   10.230   1.2500   10.510   1.3260 -0.2773000 1.823000 
1 1 1   10   18   24 o   12.450   0.9831   13.040   1.3030   11.870   1.4720 1.166000 1.966000 
1 1 1   10   18   25 o   5.0690   1.3870   5.7700   2.0130   4.3680   1.9080 1.402000 2.774000 
1 1 1   10   18   26 f   5.2860   1.3820   5.0340   1.9170   5.5380   1.9900 -0.5036000 2.763000 
1 1 1   10   18   27 o   3.3170   1.1030   3.5780   1.6380   3.0560   1.4790 0.5217000 2.207000 
1 1 1   10   18   28 o   3.3670   1.1470   3.3410   1.6030   3.3930   1.6410 -0.5174000E-01 2.294000 
1 1 1   10   18   29 o   3.1660   1.1210   2.7360   1.3850   3.5960   1.7630 -0.8596000 2.242000 
1 1 1   10   18   30 o   2.9920   1.0170   3.3210   1.5470   2.6640   1.3210 0.6579000 2.035000 
1 1 1   10   18   31 o   1.8830   0.6895   1.7530   0.9045   2.0130   1.0410 -0.2592000 1.379000 
1 1 1   10   20    0 o   54.160   0.4568   54.700   0.6512   53.620   0.6408 1.079000 0.9136000 
1 1 1   10   20    1 o   20.850   0.4570   21.490   0.6316   20.220   0.6606 1.275000 0.9139000 
1 1 1   10   20    2 o   33.460   0.3566   33.830   0.5019   33.080   0.5066 0.7469000 0.7131000 
1 1 1   10   20    3 o   35.590   0.3829   35.910   0.4952   35.270   0.5842 0.6404000 0.7658000 
1 1 1   10   20    4 o   31.840   0.3664   31.930   0.5083   31.760   0.5278 0.1652000 0.7328000 
1 1 1   10   20    5 o   13.400   0.6788   14.060   0.8712   12.740   1.0410 1.324000 1.358000 
1 1 1   10   20    6 o   14.400   0.6396   14.010   0.9005   14.780   0.9086 -0.7728000 1.279000 
1 1 1   10   20    7 o   21.990   0.4980   22.000   0.6881   21.970   0.7200 0.2470000E-01 0.9959000 
1 1 1   10   20    8 o   19.260   0.5405   19.650   0.7229   18.870   0.8036 0.7798000 1.081000 
1 1 1   10   20    9 o   12.330   0.7878   11.810   1.1340   12.850   1.0940 -1.046000 1.576000 
1 1 1   10   20   10 o   18.000   0.4998   18.530   0.6504   17.470   0.7591 1.063000 0.9997000 
1 1 1   10   20   11 o   16.890   0.6043   17.710   0.7356   16.070   0.9590 1.643000 1.209000 
1 1 1   10   20   12 o   20.830   0.5174   21.190   0.6820   20.470   0.7783 0.7193000 1.035000 
1 1 1   10   20   13 o   17.100   0.5206   17.420   0.7017   16.780   0.7693 0.6386000 1.041000 
1 1 1   10   20   14 o   5.1940   1.2440   4.3630   1.7120   6.0250   1.8050 -1.663000 2.488000 
1 1 1   10   20   15 o   9.8920   0.8697   11.630   0.9570   8.1530   1.4520 3.479000 1.739000 
1 1 1   10   20   16 o   4.2060   1.1900   4.7820   1.7600   3.6290   1.6020 1.153000 2.380000 
1 1 1   10   20   17 o   15.850   0.5343   15.350   0.7735   16.350   0.7374 -1.001000 1.069000 
1 1 1   10   20   18 o   4.9460   1.2250   5.8530   1.7690   4.0400   1.6960 1.813000 2.450000 
1 1 1   10   20   19 o   11.510   0.7645   12.980   0.9242   10.040   1.2180 2.941000 1.529000 
1 1 1   10   20   20 o   18.180   0.5001   18.010   0.6946   18.350   0.7198 -0.3365000 1.000000 
1 1 1   10   20   21 o   6.7440   1.3370   6.6360   1.8190   6.8520   1.9610 -0.2157000 2.675000 
1 1 1   10   20   22 o   14.370   0.7306   14.680   0.9341   14.060   1.1240 0.6223000 1.461000 
1 1 1   10   20   23 o   4.4820   1.3070   3.1620   1.5540   5.8020   2.1020 -2.640000 2.613000 
1 1 1   10   20   24 o   4.1560   1.2540   4.3600   1.8000   3.9530   1.7470 0.4070000 2.509000 
1 1 1   10   20   25 o   5.0140   1.3410   5.5840   1.9320   4.4440   1.8600 1.140000 2.682000 
1 1 1   10   20   26 o   5.1690   1.2830   6.6050   1.9160   3.7340   1.7080 2.871000 2.567000 
1 1 1   10   20   27 o   3.0820   1.0680   3.2730   1.5770   2.8910   1.4410 0.3814000 2.136000 
1 1 1   10   20   28 o   6.2140   1.3300   8.2610   1.9050   4.1680   1.8580 4.093000 2.661000 
1 1 1   10   20   29 o   2.3300   0.8313   2.3020   1.1620   2.3580   1.1890 -0.5576000E-01 1.663000 
1 1 1   10   22    0 o   27.010   0.4215   26.530   0.5909   27.480   0.6012 -0.9507000 0.8429000 
1 1 1   10   22    1 o   7.7600   1.2350   7.3710   1.7780   8.1490   1.7140 -0.7780000 2.469000 
1 1 1   10   22    2 o   21.690   0.4872   22.170   0.6653   21.210   0.7119 0.9605000 0.9744000 
1 1 1   10   22    3 o   34.150   0.3769   34.050   0.4913   34.250   0.5717 -0.1940000 0.7538000 
1 1 1   10   22    4 o   7.1060   1.2010   6.3310   1.7750   7.8810   1.6180 -1.551000 2.401000 
1 1 1   10   22    5 o   15.000   0.5723   14.880   0.7907   15.110   0.8277 -0.2331000 1.145000 
1 1 1   10   22    6 o   24.020   0.3977   24.370   0.5443   23.680   0.5799 0.6897000 0.7953000 
1 1 1   10   22    7 o   14.710   0.7312   14.750   0.8523   14.670   1.1880 0.8253000E-01 1.462000 
1 1 1   10   22    8 o   25.010   0.4475   25.880   0.5782   24.130   0.6833 1.750000 0.8951000 
1 1 1   10   22    9 o   17.450   0.5685   18.050   0.7179   16.860   0.8818 1.180000 1.137000 
1 1 1   10   22   10 o   17.630   0.4851   17.900   0.6544   17.360   0.7162 0.5353000 0.9702000 
1 1 1   10   22   11 o   15.340   0.5529   15.430   0.7344   15.260   0.8269 0.1684000 1.106000 
1 1 1   10   22   12 o   15.050   0.5521   15.040   0.7462   15.060   0.8138 -0.2496000E-01 1.104000 
1 1 1   10   22   13 o   6.9590   1.2190   6.6620   1.7790   7.2560   1.6670 -0.5934000 2.438000 
1 1 1   10   22   14 o   5.0820   1.2820   5.2020   1.7970   4.9630   1.8300 0.2389000 2.565000 
1 1 1   10   22   15 o   6.2410   1.2260   5.2670   1.7930   7.2150   1.6730 -1.948000 2.452000 
1 1 1   10   22   16 o   3.7120   1.1340   2.8740   1.3810   4.5500   1.7990 -1.676000 2.268000 
1 1 1   10   22   17 o   3.6160   1.1140   4.3120   1.7350   2.9190   1.3990 1.393000 2.229000 
1 1 1   10   22   18 o   3.6870   1.1270   2.8210   1.3610   4.5530   1.7960 -1.732000 2.254000 
1 1 1   10   22   19 o   6.3800   1.3670   6.7510   1.8540   6.0090   2.0100 0.7418000 2.734000 
1 1 1   10   22   20 o   8.8920   1.2030   11.150   1.3190   6.6380   2.0120 4.507000 2.406000 
1 1 1   10   22   21 o   9.8700   1.2330   10.810   1.5430   8.9320   1.9230 1.875000 2.466000 
1 1 1   10   22   22 o   5.7140   1.3770   5.8930   1.9250   5.5340   1.9700 0.3586000 2.754000 
1 1 1   10   22   23 o   4.1190   1.2570   3.9880   1.7390   4.2510   1.8150 -0.2629000 2.514000 
1 1 1   10   22   24 o   3.7140   1.1930   4.0900   1.7820   3.3380   1.5860 0.7527000 2.386000 
1 1 1   10   22   25 o   4.4110   1.3680   4.2330   1.8830   4.5890   1.9830 -0.3555000 2.735000 
1 1 1   10   22   26 o   2.8620   1.0220   3.0940   1.5410   2.6290   1.3420 0.4646000 2.044000 
1 1 1   10   22   27 o   3.9610   1.2210   4.8210   1.9370   3.1010   1.4880 1.721000 2.443000 
1 1 1   10   22   28 o   2.2610   0.8171   2.5470   1.2800   1.9740   1.0160 0.5731000 1.634000 
1 1 1   10   24    0 o   31.550   0.3891   31.290   0.5427   31.810   0.5578 -0.5288000 0.7782000 
1 1 1   10   24    1 o   5.7770   1.3140   6.0020   1.8240   5.5520   1.8900 0.4496000 2.627000 
1 1 1   10   24    2 o   12.270   0.7492   11.820   1.0720   12.710   1.0470 -0.8867000 1.498000 
1 1 1   10   24    3 o   20.370   0.5491   20.240   0.6584   20.500   0.8790 -0.2629000 1.098000 
1 1 1   10   24    4 o   17.920   0.5566   17.540   0.7374   18.300   0.8338 -0.7629000 1.113000 
1 1 1   10   24    5 o   7.2760   1.1440   7.1110   1.5760   7.4410   1.6580 -0.3296000 2.288000 
1 1 1   10   24    6 o   12.560   0.6632   12.980   0.8603   12.130   1.0090 0.8580000 1.326000 
1 1 1   10   24    7 o   6.4530   1.1360   4.6080   1.7290   8.2990   1.4750 -3.691000 2.273000 
1 1 1   10   24    8 o   10.750   0.7738   10.430   1.0710   11.070   1.1170 -0.6368000 1.548000 
1 1 1   10   24    9 o   4.5440   1.2260   5.1470   1.7650   3.9420   1.7010 1.205000 2.452000 
1 1 1   10   24   10 f   19.980   0.4558   19.800   0.6156   20.160   0.6723 -0.3624000 0.9116000 
1 1 1   10   24   11 o   22.900   0.4191   22.970   0.5618   22.840   0.6220 0.1296000 0.8381000 
1 1 1   10   24   12 o   4.7550   1.2170   5.7180   1.7740   3.7930   1.6670 1.925000 2.434000 
1 1 1   10   24   13 o   14.150   0.6512   14.940   0.7883   13.350   1.0370 1.598000 1.302000 
1 1 1   10   24   14 o   11.780   0.7515   12.320   0.9386   11.240   1.1740 1.084000 1.503000 
1 1 1   10   24   15 o   3.5230   1.1380   3.4180   1.5840   3.6290   1.6350 -0.2116000 2.276000 
1 1 1   10   24   16 o   4.6640   1.3230   4.3710   1.8030   4.9570   1.9350 -0.5863000 2.645000 
1 1 1   10   24   17 f   6.8530   1.3690   6.2970   1.9610   7.4080   1.9120 -1.111000 2.739000 
1 1 1   10   24   18 o   4.1800   1.2980   3.5630   1.6410   4.7970   2.0130 -1.234000 2.597000 
1 1 1   10   24   19 o   4.0970   1.3080   3.5310   1.6940   4.6630   1.9930 -1.131000 2.615000 
1 1 1   10   24   20 o   5.2520   1.3360   4.1450   1.7880   6.3590   1.9850 -2.214000 2.671000 
1 1 1   10   24   21 o   4.7160   1.3410   4.3020   1.8360   5.1290   1.9540 -0.8267000 2.681000 
1 1 1   10   24   22 o   5.1030   1.3660   4.5610   1.8620   5.6450   2.0000 -1.084000 2.733000 
1 1 1   10   24   23 o   5.9560   1.4380   7.4480   2.1170   4.4630   1.9460 2.985000 2.875000 
1 1 1   10   24   24 o   3.7260   1.2730   3.4080   1.6700   4.0450   1.9210 -0.6375000 2.546000 
1 1 1   10   24   25 o   6.6780   1.4760   6.0800   2.0910   7.2750   2.0830 -1.195000 2.952000 
1 1 1   10   24   26 o   2.2670   0.8123   2.1240   1.0810   2.4100   1.2130 -0.2865000 1.625000 
1 1 1   10   26    0 o   11.170   0.8699   11.670   1.3740   10.660   1.0670 1.012000 1.740000 
1 1 1   10   26    1 f   9.5720   1.0150   10.770   1.4860   8.3720   1.3840 2.401000 2.031000 
1 1 1   10   26    2 o   5.5580   1.3740   6.5600   2.1150   4.5550   1.7550 2.005000 2.749000 
1 1 1   10   26    3 o   12.890   0.8312   11.910   1.3840   13.870   0.9213 -1.959000 1.662000 
1 1 1   10   26    4 o   6.4420   1.3960   6.3760   2.1180   6.5090   1.8190 -0.1331000 2.792000 
1 1 1   10   26    5 o   3.8250   1.1870   3.3320   1.5730   4.3170   1.7780 -0.9850000 2.374000 
1 1 1   10   26    6 o   9.9610   0.8866   8.7640   1.3400   11.160   1.1610 -2.394000 1.773000 
1 1 1   10   26    7 o   18.640   0.4969   18.250   0.6841   19.020   0.7208 -0.7750000 0.9938000 
1 1 1   10   26    8 o   9.5640   0.9612   10.780   1.0880   8.3490   1.5850 2.429000 1.922000 
1 1 1   10   26    9 o   10.030   0.8883   9.7190   1.2470   10.340   1.2660 -0.6187000 1.777000 
1 1 1   10   26   10 o   5.2860   1.2680   6.1890   1.7860   4.3830   1.8020 1.806000 2.537000 
1 1 1   10   26   11 o   3.7450   1.1420   2.7200   1.3260   4.7690   1.8590 -2.049000 2.284000 
1 1 1   10   26   12 o   10.980   0.8608   10.220   1.2600   11.740   1.1730 -1.518000 1.722000 
1 1 1   10   26   13 o   14.080   0.7343   14.060   1.0210   14.100   1.0550 -0.3778000E-01 1.469000 
1 1 1   10   26   14 o   7.9060   1.2690   9.3360   1.5740   6.4770   1.9900 2.860000 2.537000 
1 1 1   10   26   15 o   14.890   0.7349   15.660   1.0910   14.110   0.9850 1.554000 1.470000 
1 1 1   10   26   16 o   5.5110   1.4780   4.6660   1.9870   6.3560   2.1870 -1.690000 2.955000 
1 1 1   10   26   17 o   4.1430   1.3430   3.8980   1.8580   4.3870   1.9400 -0.4891000 2.686000 
1 1 1   10   26   18 o   3.4880   1.1410   2.8350   1.3950   4.1400   1.8050 -1.305000 2.281000 
1 1 1   10   26   19 o   4.2540   1.2750   4.9340   1.9390   3.5740   1.6570 1.360000 2.550000 
1 1 1   10   26   20 o   4.2450   1.2600   5.0970   1.9510   3.3930   1.5960 1.704000 2.520000 
1 1 1   10   26   21 o   5.4570   1.4860   4.9820   2.0530   5.9330   2.1500 -0.9511000 2.973000 
1 1 1   10   26   22 o   3.1740   1.0910   3.2540   1.5710   3.0930   1.5140 0.1614000 2.182000 
1 1 1   10   26   23 o   2.8430   0.9968   2.8240   1.3990   2.8620   1.4200 -0.3799000E-01 1.994000 
1 1 1   10   26   24 o   2.4510   0.8803   2.4670   1.2460   2.4350   1.2440 0.3247000E-01 1.761000 
1 1 1   10   28    0 o   5.0830   1.2840   4.9740   1.8120   5.1930   1.8190 -0.2194000 2.568000 
1 1 1   10   28    1 o   4.4250   1.2050   3.4410   1.5640   5.4090   1.8330 -1.968000 2.409000 
1 1 1   10   28    2 o   3.8800   1.1740   3.3440   1.5360   4.4170   1.7760 -1.073000 2.348000 
1 1 1   10   28    3 o   4.5870   1.2830   4.6030   1.7950   4.5720   1.8320 0.3030000E-01 2.565000 
1 1 1   10   28    4 o   5.6610   1.3370   5.1290   1.8660   6.1930   1.9160 -1.064000 2.675000 
1 1 1   10   28    5 o   7.1850   1.2310   8.0210   1.5650   6.3490   1.9000 1.671000 2.461000 
1 1 1   10   28    6 o   10.170   1.0700   11.090   1.3250   9.2490   1.6790 1.841000 2.139000 
1 1 1   10   28    7 o   13.410   0.8587   14.000   1.2130   12.810   1.2160 1.191000 1.717000 
1 1 1   10   28    8 o   6.0750   1.6180   6.0930   2.4870   6.0570   2.0700 0.3552000E-01 3.235000 
1 1 1   10   28    9 o   12.490   1.2680   11.820   2.2460   13.170   1.1760 -1.350000 2.535000 
1 1 1   10   28   10 f   6.3560   1.6760   6.9720   2.6650   5.7400   2.0320 1.231000 3.351000 
1 1 1   10   28   11 f   11.900   1.0090   11.470   1.6590   12.320   1.1480 -0.8529000 2.018000 
1 1 1   10   28   12 o   11.170   1.1710   11.810   1.6770   10.530   1.6350 1.278000 2.342000 
1 1 1   10   28   13 o   4.7960   1.4640   4.8610   2.1220   4.7320   2.0180 0.1294000 2.928000 
1 1 1   10   28   14 o   4.8830   1.3940   4.1140   1.9170   5.6530   2.0250 -1.539000 2.789000 
1 1 1   10   28   15 o   7.3650   1.5360   7.0370   2.3990   7.6920   1.9190 -0.6553000 3.072000 
1 1 1   10   28   16 o   11.380   1.1430   11.570   1.8340   11.180   1.3630 0.3909000 2.285000 
1 1 1   10   28   17 o   5.4870   1.3830   4.1260   1.9380   6.8470   1.9720 -2.721000 2.765000 
1 1 1   10   28   18 f   3.7020   1.2690   3.6380   1.8330   3.7650   1.7550 -0.1268000 2.538000 
1 1 1   10   28   19 o   4.6730   1.3390   3.1790   1.6210   6.1660   2.1310 -2.987000 2.678000 
1 1 1   10   28   20 o   3.2290   1.1050   2.6570   1.3500   3.8010   1.7500 -1.144000 2.210000 
1 1 1   10   28   21 o   2.7220   0.9579   2.5580   1.3030   2.8860   1.4050 -0.3285000 1.916000 
1 1 1   10   30    0 o   4.5370   1.2740   4.0000   1.7160   5.0730   1.8830 -1.073000 2.548000 
1 1 1   10   30    1 o   7.0200   1.2670   6.6900   1.8100   7.3510   1.7740 -0.6615000 2.534000 
1 1 1   10   30    2 o   4.7590   1.2990   4.1080   1.7520   5.4100   1.9180 -1.301000 2.598000 
1 1 1   10   30    3 f   5.0160   1.2590   6.4120   1.8910   3.6210   1.6640 2.791000 2.518000 
1 1 1   10   30    4 o   11.640   0.8511   12.820   1.0410   10.460   1.3470 2.362000 1.702000 
1 1 1   10   30    5 o   18.730   0.5441   18.870   0.7496   18.590   0.7888 0.2737000 1.088000 
1 1 1   10   30    6 f   8.5770   1.1770   8.6010   1.6120   8.5530   1.7150 0.4732000E-01 2.354000 
1 1 1   10   30    7 o   3.7920   1.2270   2.9960   1.4800   4.5880   1.9570 -1.592000 2.454000 
1 1 1   10   30    8 o   5.1030   1.4490   5.3730   2.0950   4.8330   2.0030 0.5401000 2.899000 
1 1 1   10   30    9 o   4.6930   1.4050   4.9010   2.0290   4.4840   1.9450 0.4171000 2.811000 
1 1 1   10   30   10 o   9.3690   1.0900   9.7450   1.4610   8.9930   1.6180 0.7523000 2.180000 
1 1 1   10   30   11 o   7.2720   1.2620   9.0790   1.5820   5.4650   1.9670 3.613000 2.524000 
1 1 1   10   30   12 o   4.9200   1.3420   5.5840   1.9670   4.2560   1.8270 1.329000 2.685000 
1 1 1   10   30   13 f   5.2120   1.4300   5.1100   2.0460   5.3130   1.9990 -0.2028000 2.861000 
1 1 1   10   30   14 o   4.1690   1.3240   4.4830   1.9530   3.8560   1.7890 0.6272000 2.649000 
1 1 1   10   30   15 f   2.5620   0.9134   2.4760   1.2530   2.6490   1.3300 -0.1731000 1.827000 
1 1 1   10   30   16 o   3.1860   1.0690   2.8160   1.3770   3.5560   1.6350 -0.7400000 2.138000 
1 1 1   10   30   17 o   3.0360   1.0450   3.2340   1.5490   2.8380   1.4030 0.3966000 2.090000 
1 1 1   10   30   18 o   2.0730   0.7519   1.9650   1.0110   2.1810   1.1140 -0.2154000 1.504000 
1 1 1   10   32    0 o   4.0530   1.2810   3.5760   1.6750   4.5300   1.9390 -0.9544000 2.563000 
1 1 1   10   32    1 o   7.1080   1.4300   8.1090   1.8820   6.1060   2.1540 2.002000 2.860000 
1 1 1   10   32    2 o   3.9810   1.2590   3.8920   1.7060   4.0700   1.8510 -0.1776000 2.517000 
1 1 1   10   32    3 o   5.5800   1.3630   6.2480   1.9100   4.9120   1.9450 1.336000 2.726000 
1 1 1   10   32    4 o   4.0280   1.2400   4.3390   1.8060   3.7160   1.6990 0.6230000 2.479000 
1 1 1   10   32    5 o   5.1970   1.3500   5.7010   1.9070   4.6920   1.9100 1.009000 2.699000 
1 1 1   10   32    6 o   3.2100   1.0820   3.0030   1.4480   3.4160   1.6080 -0.4129000 2.164000 
1 1 1   10   32    7 f   3.0810   1.0670   3.2190   1.5550   2.9440   1.4600 0.2750000 2.133000 
1 1 1   10   32    8 f   4.7720   1.3160   6.1770   2.0740   3.3670   1.6200 2.810000 2.632000 
1 1 1   10   32    9 f   3.2500   1.1090   3.6490   1.7060   2.8500   1.4180 0.7990000 2.219000 
1 1 1   10   32   10 o   3.5210   1.1770   3.3670   1.6120   3.6750   1.7170 -0.3079000 2.355000 
1 1 1   10   32   11 o   3.5360   1.1400   3.2500   1.5260   3.8220   1.6940 -0.5720000 2.280000 
1 1 1   10   32   12 o   2.4770   0.8780   2.0940   1.0680   2.8600   1.3940 -0.7655000 1.756000 
1 1 1   10   32   13 o   2.3930   0.8571   2.1510   1.0980   2.6350   1.3160 -0.4832000 1.714000 
1 1 1   10   32   14 o   2.2790   0.8353   2.2840   1.1840   2.2730   1.1790 0.1068000E-01 1.671000 
1 1 1   10   34    0 o   3.3880   1.1250   2.6500   1.3070   4.1250   1.8330 -1.475000 2.251000 
1 1 1   10   34    1 o   2.6400   0.9216   2.6310   1.2970   2.6500   1.3100 -0.1869000E-01 1.843000 
1 1 1   10   34    2 o   3.0560   1.0340   2.8160   1.3710   3.2960   1.5490 -0.4791000 2.068000 
1 1 1   10   34    3 o   3.5850   1.1410   4.0370   1.7260   3.1320   1.4910 0.9046000 2.281000 
1 1 1   10   34    4 o   3.3410   1.1010   3.1290   1.4830   3.5530   1.6280 -0.4242000 2.202000 
1 1 1   10   34    5 o   2.9660   1.0090   3.1140   1.4750   2.8170   1.3770 0.2974000 2.018000 
1 1 1   10   34    6 o   3.0700   1.0310   3.4860   1.5920   2.6550   1.3120 0.8307000 2.063000 
1 1 1   10   34    7 o   2.1480   0.7761   2.1670   1.1060   2.1290   1.0890 0.3805000E-01 1.552000 
1 1 1   11    1    0 o   12.870   0.1315   12.740   0.1878   13.000   0.1842 -0.2580000 0.2630000 
1 1 1   11    1    1 o   85.940   0.5407   86.060   0.7654   85.830   0.7639 0.2356000 1.081000 
1 1 1   11    1    2 o   41.340   0.3068   41.470   0.4348   41.210   0.4329 0.2651000 0.6135000 
1 1 1   11    1    3 o   85.950   0.7659   86.260   1.0870   85.640   1.0790 0.6171000 1.532000 
1 1 1   11    1    4 f   54.440   0.3479   54.590   0.4931   54.280   0.4909 0.3106000 0.6958000 
1 1 1   11    1    5 o  113.900   0.7161  114.000   1.0140  113.800   1.0120 0.1869000 1.432000 
1 1 1   11    1    6 o   61.850   0.3950   61.690   0.5570   62.020   0.5601 -0.3246000 0.7899000 
1 1 1   11    1    7 o   11.430   0.2699   12.140   0.3609   10.720   0.4014 1.425000 0.5398000 
1 1 1   11    1    8 o   30.550   0.3270   30.480   0.4597   30.630   0.4651 -0.1523000 0.6539000 
1 1 1   11    1    9 o   68.310   0.5060   68.450   0.7160   68.170   0.7150 0.2847000 1.012000 
1 1 1   11    1   10 o   23.060   0.2253   23.030   0.3169   23.090   0.3202 -0.5607000E-01 0.4505000 
1 1 1   11    1   11 o   15.420   0.2831   15.550   0.3899   15.280   0.4106 0.2676000 0.5662000 
1 1 1   11    1   12 o   19.690   0.2637   20.110   0.3679   19.260   0.3778 0.8535000 0.5273000 
1 1 1   11    1   13 o   19.370   0.2768   19.560   0.3842   19.190   0.3985 0.3734000 0.5536000 
1 1 1   11    1   14 o   68.290   0.4443   68.420   0.6287   68.170   0.6280 0.2556000 0.8886000 
1 1 1   11    1   15 o   28.950   0.2848   28.580   0.3998   29.330   0.4058 -0.7465000 0.5696000 
1 1 1   11    1   16 f   36.920   0.3052   36.820   0.4325   37.010   0.4306 -0.1884000 0.6103000 
1 1 1   11    1   17 o   23.950   0.4531   24.230   0.6262   23.660   0.6549 0.5649000 0.9062000 
1 1 1   11    1   18 o   43.610   0.3435   43.580   0.4833   43.650   0.4884 -0.7392000E-01 0.6871000 
1 1 1   11    1   19 f   28.750   0.3382   28.870   0.4736   28.640   0.4830 0.2288000 0.6765000 
1 1 1   11    1   20 o   27.090   0.3561   27.150   0.5014   27.020   0.5058 0.1270000 0.7122000 
1 1 1   11    1   21 o   12.980   0.5964   13.190   0.8261   12.770   0.8603 0.4147000 1.193000 
1 1 1   11    1   22 o   4.6380   1.3880   4.5050   1.9080   4.7700   2.0150 -0.2656000 2.775000 
1 1 1   11    1   23 o   11.520   0.6513   11.080   0.9423   11.970   0.8994 -0.8887000 1.303000 
1 1 1   11    1   24 o   18.510   0.4113   18.820   0.5904   18.200   0.5729 0.6202000 0.8227000 
1 1 1   11    1   25 o   7.2840   0.9854   7.1790   1.3670   7.3880   1.4200 -0.2092000 1.971000 
1 1 1   11    1   26 o   2.9020   0.9622   2.6380   1.2700   3.1670   1.4450 -0.5293000 1.924000 
1 1 1   11    1   27 f   15.600   0.4819   15.150   0.7029   16.050   0.6594 -0.9055000 0.9638000 
1 1 1   11    1   28 f   8.4660   0.8912   9.0980   1.1690   7.8350   1.3460 1.263000 1.782000 
1 1 1   11    1   29 o   5.3860   1.2400   5.7760   1.7350   4.9960   1.7720 0.7807000 2.480000 
1 1 1   11    1   30 o   4.5230   1.3430   3.6280   1.7000   5.4180   2.0780 -1.791000 2.685000 
1 1 1   11    1   31 o   3.6310   1.1360   3.3140   1.5380   3.9490   1.6720 -0.6349000 2.272000 
1 1 1   11    1   32 o   6.1360   1.2580   4.5740   1.8470   7.6980   1.7100 -3.123000 2.517000 
1 1 1   11    1   33 o   4.7350   1.3150   4.1260   1.7620   5.3430   1.9530 -1.217000 2.630000 
1 1 1   11    1   34 o   4.5970   1.4600   4.3690   1.9800   4.8250   2.1450 -0.4563000 2.919000 
1 1 1   11    1   35 o   3.1060   1.0530   3.5110   1.6280   2.7020   1.3360 0.8088000 2.106000 
1 1 1   11    1   36 o   2.8880   0.9962   2.7490   1.3540   3.0280   1.4610 -0.2790000 1.992000 
1 1 1   11    3    0 o   37.550   0.3122   37.270   0.3949   37.820   0.4837 -0.5500000 0.6244000 
1 1 1   11    3    1 o   11.530   0.1816   11.190   0.2609   11.870   0.2526 -0.6820000 0.3632000 
1 1 1   11    3    2 f   25.640   0.2084   26.010   0.2709   25.270   0.3167 0.7462000 0.4167000 
1 1 1   11    3    3 o   49.040   0.3671   49.590   0.5245   48.490   0.5136 1.093000 0.7341000 
1 1 1   11    3    4 o   32.220   0.2410   32.920   0.3236   31.520   0.3571 1.403000 0.4819000 
1 1 1   11    3    5 o   48.740   0.3174   49.220   0.4528   48.260   0.4449 0.9605000 0.6348000 
1 1 1   11    3    6 o   17.230   0.2103   17.480   0.2938   16.990   0.3009 0.4839000 0.4206000 
1 1 1   11    3    7 o   18.690   0.2828   19.130   0.4498   18.250   0.3430 0.8786000 0.5656000 
1 1 1   11    3    8 o   53.130   0.4922   53.150   0.6957   53.110   0.6966 0.4504000E-01 0.9845000 
1 1 1   11    3    9 o   43.620   0.3422   43.650   0.4817   43.600   0.4861 0.4845000E-01 0.6843000 
1 1 1   11    3   10 o   44.070   0.3007   44.230   0.4258   43.910   0.4246 0.3240000 0.6013000 
1 1 1   11    3   11 o   5.5740   0.7601   4.9720   1.1450   6.1750   1.0000 -1.203000 1.520000 
1 1 1   11    3   12 o   43.320   0.3024   43.310   0.4266   43.330   0.4286 -0.2469000E-01 0.6047000 
1 1 1   11    3   13 o   23.320   0.2655   23.490   0.3706   23.150   0.3804 0.3403000 0.5311000 
1 1 1   11    3   14 o   7.7430   0.6744   7.4830   0.9578   8.0030   0.9496 -0.5199000 1.349000 
1 1 1   11    3   15 o   24.110   0.3235   23.540   0.4261   24.690   0.4870 -1.145000 0.6471000 
1 1 1   11    3   16 o   67.550   0.4465   67.810   0.6326   67.280   0.6304 0.5266000 0.8931000 
1 1 1   11    3   17 o   22.490   0.4808   22.800   0.6500   22.170   0.7085 0.6298000 0.9615000 
1 1 1   11    3   18 o   26.980   0.3526   26.760   0.4921   27.210   0.5051 -0.4467000 0.7052000 
1 1 1   11    3   19 o   43.290   0.3469   43.150   0.4876   43.430   0.4936 -0.2764000 0.6938000 
1 1 1   11    3   20 o   3.9050   1.1510   3.4150   1.5250   4.3950   1.7250 -0.9805000 2.302000 
1 1 1   11    3   21 o   15.170   0.5058   15.130   0.6976   15.220   0.7326 -0.8936000E-01 1.012000 
1 1 1   11    3   22 o   17.470   0.7093   18.190   0.9484   16.740   1.0550 1.449000 1.419000 
1 1 1   11    3   23 o   6.6530   1.0770   7.7070   1.3380   5.5990   1.6890 2.109000 2.155000 
1 1 1   11    3   24 o   3.5160   1.0640   3.9660   1.5920   3.0660   1.4110 0.8997000 2.127000 
1 1 1   11    3   25 o   9.7220   0.7291   10.280   0.9550   9.1680   1.1020 1.107000 1.458000 
1 1 1   11    3   26 o   15.120   0.4895   15.200   0.6857   15.040   0.6987 0.1610000 0.9790000 
1 1 1   11    3   27 o   14.420   0.5210   14.770   0.7237   14.070   0.7496 0.7056000 1.042000 
1 1 1   11    3   28 o   5.8610   1.1860   6.1400   1.6470   5.5830   1.7060 0.5570000 2.372000 
1 1 1   11    3   29 o   8.6700   0.9499   7.8580   1.4300   9.4820   1.2510 -1.624000 1.900000 
1 1 1   11    3   30 o   3.9450   1.2580   3.4920   1.6500   4.3990   1.8980 -0.9070000 2.515000 
1 1 1   11    3   31 f   3.7780   1.1780   3.9140   1.6960   3.6410   1.6350 0.2729000 2.355000 
1 1 1   11    3   32 o   3.9980   1.2300   3.6560   1.6530   4.3400   1.8230 -0.6841000 2.461000 
1 1 1   11    3   33 f   4.5080   1.3140   4.6700   1.8900   4.3470   1.8250 0.3232000 2.628000 
1 1 1   11    3   34 o   3.9000   1.3160   4.2860   1.9850   3.5140   1.7290 0.7722000 2.633000 
1 1 1   11    3   35 o   3.0530   1.0420   3.0320   1.4670   3.0740   1.4810 -0.4242000E-01 2.084000 
1 1 1   11    3   36 f   2.6980   0.9427   2.9230   1.4210   2.4740   1.2400 0.4491000 1.885000 
1 1 1   11    5    0 o   95.660   0.6030   95.330   0.8501   95.990   0.8553 -0.6576000 1.206000 
1 1 1   11    5    1 o  119.300   0.8673  118.800   1.2210  119.900   1.2320 -1.129000 1.735000 
1 1 1   11    5    2 o   60.830   0.4513   60.740   0.6373   60.910   0.6390 -0.1676000 0.9025000 
1 1 1   11    5    3 o   87.830   0.5554   87.870   0.7860   87.800   0.7849 0.6094000E-01 1.111000 
1 1 1   11    5    4 o   39.400   0.2700   39.780   0.3843   39.030   0.3795 0.7553000 0.5401000 
1 1 1   11    5    5 o   77.570   0.4933   77.730   0.6988   77.410   0.6964 0.3213000 0.9866000 
1 1 1   11    5    6 o   55.620   0.4166   56.050   0.5933   55.190   0.5851 0.8522000 0.8332000 
1 1 1   11    5    7 o   41.850   0.3699   42.250   0.5757   41.450   0.4645 0.8031000 0.7398000 
1 1 1   11    5    8 f   30.810   0.2829   30.920   0.3958   30.710   0.4042 0.2105000 0.5657000 
1 1 1   11    5    9 o   58.440   0.3819   58.770   0.5427   58.110   0.5375 0.6629000 0.7638000 
1 1 1   11    5   10 o   19.790   0.2550   19.830   0.3592   19.740   0.3622 0.8191000E-01 0.5101000 
1 1 1   11    5   11 o   28.010   0.2524   28.180   0.3517   27.840   0.3621 0.3341000 0.5047000 
1 1 1   11    5   12 o   57.320   0.3804   57.360   0.5370   57.290   0.5390 0.6928000E-01 0.7608000 
1 1 1   11    5   13 o   51.290   0.3501   51.210   0.4937   51.360   0.4964 -0.1466000 0.7001000 
1 1 1   11    5   14 o   70.750   0.4617   70.860   0.6532   70.640   0.6528 0.2117000 0.9235000 
1 1 1   11    5   15 o   39.900   0.3154   39.900   0.4423   39.900   0.4498 0.5646000E-03 0.6308000 
1 1 1   11    5   16 o   51.170   0.4188   51.250   0.5858   51.100   0.5987 0.1576000 0.8376000 
1 1 1   11    5   17 o   54.580   0.4493   54.240   0.6349   54.910   0.6360 -0.6720000 0.8987000 
1 1 1   11    5   18 o   6.3800   1.1790   6.5690   1.6190   6.1900   1.7160 0.3787000 2.359000 
1 1 1   11    5   19 o   27.100   0.3541   26.750   0.4921   27.450   0.5094 -0.6967000 0.7083000 
1 1 1   11    5   20 o   25.240   0.3673   25.060   0.5097   25.420   0.5291 -0.3589000 0.7346000 
1 1 1   11    5   21 o   19.260   0.5123   19.740   0.7050   18.780   0.7434 0.9624000 1.025000 
1 1 1   11    5   22 o   12.940   0.7386   13.680   0.8675   12.200   1.1960 1.482000 1.477000 
1 1 1   11    5   23 o   3.5310   1.0820   3.2610   1.4460   3.8010   1.6110 -0.5398000 2.165000 
1 1 1   11    5   24 f   2.9090   0.9603   2.6300   1.2540   3.1890   1.4550 -0.5597000 1.921000 
1 1 1   11    5   25 o   6.8490   1.0240   5.8070   1.5660   7.8910   1.3210 -2.084000 2.048000 
1 1 1   11    5   26 o   5.3360   1.1810   4.6830   1.6720   5.9890   1.6690 -1.307000 2.363000 
1 1 1   11    5   27 o   2.5970   0.8899   2.4700   1.2010   2.7250   1.3130 -0.2558000 1.780000 
1 1 1   11    5   28 o   4.5980   1.2220   4.6040   1.7090   4.5920   1.7460 0.1195000E-01 2.443000 
1 1 1   11    5   29 o   4.6910   1.3440   3.7180   1.7030   5.6650   2.0800 -1.948000 2.688000 
1 1 1   11    5   30 o   3.6080   1.1760   3.7820   1.7190   3.4330   1.6060 0.3483000 2.353000 
1 1 1   11    5   31 o   3.7430   1.1660   3.1830   1.4980   4.3030   1.7860 -1.120000 2.332000 
1 1 1   11    5   32 o   4.2780   1.2650   3.6920   1.6580   4.8640   1.9100 -1.172000 2.529000 
1 1 1   11    5   33 o   5.2920   1.4690   4.8620   2.0210   5.7210   2.1330 -0.8591000 2.938000 
1 1 1   11    5   34 o   3.2670   1.1410   3.6930   1.7730   2.8410   1.4380 0.8525000 2.283000 
1 1 1   11    5   35 o   3.1010   1.0540   3.3750   1.5850   2.8260   1.3900 0.5488000 2.108000 
1 1 1   11    7    0 f  141.100   0.8895  140.700   1.2550  141.400   1.2610 -0.6333000 1.779000 
1 1 1   11    7    1 o   84.450   0.5783   84.490   0.7576   84.420   0.8738 0.7377000E-01 1.157000 
1 1 1   11    7    2 o   44.680   0.3447   44.850   0.4889   44.500   0.4860 0.3477000 0.6894000 
1 1 1   11    7    3 o   28.580   0.2634   28.560   0.3730   28.590   0.3721 -0.3545000E-01 0.5268000 
1 1 1   11    7    4 o   74.980   0.5526   75.030   0.7821   74.940   0.7808 0.8961000E-01 1.105000 
1 1 1   11    7    5 o   27.440   0.2565   27.140   0.3293   27.750   0.3934 -0.6103000 0.5130000 
1 1 1   11    7    6 o   32.690   0.2933   32.540   0.4118   32.830   0.4178 -0.2932000 0.5866000 
1 1 1   11    7    7 o   17.460   0.3177   18.020   0.4284   16.890   0.4694 1.135000 0.6355000 
1 1 1   11    7    8 o   29.400   0.2496   29.810   0.3541   29.000   0.3519 0.8090000 0.4992000 
1 1 1   11    7    9 f   51.250   0.3442   51.700   0.4901   50.800   0.4836 0.8994000 0.6885000 
1 1 1   11    7   10 o   14.110   0.3455   14.430   0.4769   13.780   0.5000 0.6457000 0.6909000 
1 1 1   11    7   11 o   44.170   0.3136   44.190   0.4423   44.140   0.4447 0.4470000E-01 0.6272000 
1 1 1   11    7   12 f   85.410   0.5476   85.460   0.7745   85.360   0.7743 0.9892000E-01 1.095000 
1 1 1   11    7   13 o   36.410   0.2978   36.290   0.4201   36.530   0.4220 -0.2361000 0.5955000 
1 1 1   11    7   14 o   25.590   0.3111   25.030   0.4411   26.160   0.4386 -1.138000 0.6221000 
1 1 1   11    7   15 o   59.170   0.4625   59.310   0.6518   59.020   0.6564 0.2912000 0.9250000 
1 1 1   11    7   16 o   29.640   0.4489   29.830   0.6364   29.460   0.6334 0.3752000 0.8979000 
1 1 1   11    7   17 o   38.960   0.3386   38.960   0.4705   38.960   0.4869 -0.6355000E-02 0.6771000 
1 1 1   11    7   18 o   20.350   0.4308   20.680   0.5836   20.030   0.6338 0.6482000 0.8616000 
1 1 1   11    7   19 o   13.790   0.5783   13.950   0.7719   13.630   0.8613 0.3251000 1.157000 
1 1 1   11    7   20 o   9.2150   0.8959   10.370   1.0690   8.0630   1.4380 2.303000 1.792000 
1 1 1   11    7   21 o   3.7730   1.2340   3.6520   1.6940   3.8940   1.7940 -0.2416000 2.468000 
1 1 1   11    7   22 o   18.480   0.4343   19.060   0.5817   17.900   0.6450 1.154000 0.8686000 
1 1 1   11    7   23 o   12.860   0.5851   13.060   0.7660   12.660   0.8847 0.4043000 1.170000 
1 1 1   11    7   24 o   18.820   0.4185   18.700   0.5780   18.940   0.6053 -0.2439000 0.8369000 
1 1 1   11    7   25 o   3.4480   1.0700   3.4570   1.4960   3.4380   1.5310 0.1930000E-01 2.140000 
1 1 1   11    7   26 o   3.5380   1.0820   2.9720   1.3750   4.1050   1.6700 -1.133000 2.163000 
1 1 1   11    7   27 o   11.660   0.6760   10.520   1.0170   12.790   0.8907 -2.273000 1.352000 
1 1 1   11    7   28 o   4.6300   1.2030   5.1130   1.6900   4.1460   1.7140 0.9665000 2.407000 
1 1 1   11    7   29 o   5.1600   1.3520   6.6390   2.0720   3.6820   1.7390 2.957000 2.705000 
1 1 1   11    7   30 o   5.0900   1.3010   5.2830   1.8340   4.8960   1.8440 0.3867000 2.601000 
1 1 1   11    7   31 o   3.4370   1.1160   2.8410   1.3850   4.0330   1.7500 -1.191000 2.232000 
1 1 1   11    7   32 o   5.3740   1.3790   5.1560   1.8990   5.5910   2.0000 -0.4356000 2.758000 
1 1 1   11    7   33 o   3.4160   1.1890   3.2110   1.5860   3.6200   1.7720 -0.4092000 2.378000 
1 1 1   11    7   34 o   2.6310   0.9274   2.5860   1.2920   2.6770   1.3310 -0.9059000E-01 1.855000 
1 1 1   11    7   35 o   2.4610   0.8758   2.8130   1.3810   2.1090   1.0770 0.7047000 1.752000 
1 1 1   11    9    0 o   50.950   0.3380   50.850   0.4776   51.050   0.4783 -0.1994000 0.6759000 
1 1 1   11    9    1 o   25.880   0.2557   25.880   0.3379   25.870   0.3838 0.1426000E-01 0.5114000 
1 1 1   11    9    2 o   35.150   0.2627   35.070   0.3707   35.230   0.3724 -0.1608000 0.5254000 
1 1 1   11    9    3 o   22.950   0.2481   23.650   0.3472   22.250   0.3546 1.394000 0.4963000 
1 1 1   11    9    4 o   11.230   0.4736   12.880   0.5802   9.5780   0.7487 3.301000 0.9472000 
1 1 1   11    9    5 o   37.200   0.3230   37.170   0.4552   37.230   0.4584 -0.5886000E-01 0.6460000 
1 1 1   11    9    6 o   26.660   0.2549   26.890   0.3586   26.430   0.3624 0.4552000 0.5098000 
1 1 1   11    9    7 o   34.990   0.2725   35.210   0.3855   34.770   0.3853 0.4427000 0.5451000 
1 1 1   11    9    8 o   76.040   0.4900   75.990   0.6924   76.080   0.6936 -0.9602000E-01 0.9801000 
1 1 1   11    9    9 o   40.500   0.3005   40.710   0.4237   40.290   0.4263 0.4148000 0.6011000 
1 1 1   11    9   10 o   39.710   0.3004   39.810   0.4239   39.610   0.4257 0.1958000 0.6007000 
1 1 1   11    9   11 o   45.330   0.4684   42.440   0.6546   48.210   0.6701 -5.766000 0.9368000 
1 1 1   11    9   12 o   73.120   0.4771   73.210   0.6750   73.030   0.6743 0.1824000 0.9541000 
1 1 1   11    9   13 o   50.040   0.3565   50.000   0.5024   50.090   0.5058 -0.9410000E-01 0.7129000 
1 1 1   11    9   14 o   38.300   0.3626   38.340   0.5054   38.260   0.5201 0.8198000E-01 0.7252000 
1 1 1   11    9   15 o   34.070   0.4212   34.450   0.6349   33.680   0.5537 0.7723000 0.8424000 
1 1 1   11    9   16 o   19.860   0.5026   20.290   0.7080   19.430   0.7135 0.8629000 1.005000 
1 1 1   11    9   17 o   14.430   0.5625   14.220   0.7797   14.640   0.8110 -0.4268000 1.125000 
1 1 1   11    9   18 o   5.7920   1.1870   4.4630   1.7060   7.1210   1.6510 -2.659000 2.374000 
1 1 1   11    9   19 o   12.510   0.6185   12.040   0.8583   12.990   0.8908 -0.9522000 1.237000 
1 1 1   11    9   20 o   23.130   0.5674   22.980   0.7586   23.270   0.8440 -0.2916000 1.135000 
1 1 1   11    9   21 o   9.8510   0.9306   9.1970   1.2760   10.510   1.3550 -1.308000 1.861000 
1 1 1   11    9   22 o   19.710   0.4124   19.850   0.5651   19.560   0.6006 0.2912000 0.8247000 
1 1 1   11    9   23 o   14.360   0.5200   14.410   0.7177   14.320   0.7527 0.9222000E-01 1.040000 
1 1 1   11    9   24 o   11.620   0.6349   11.250   0.9060   12.000   0.8897 -0.7528000 1.270000 
1 1 1   11    9   25 o   13.830   0.5507   14.330   0.7144   13.320   0.8382 1.014000 1.101000 
1 1 1   11    9   26 o   10.760   0.7124   10.300   1.0160   11.220   0.9993 -0.9187000 1.425000 
1 1 1   11    9   27 o   4.3810   1.1970   4.5160   1.6930   4.2450   1.6930 0.2715000 2.394000 
1 1 1   11    9   28 o   6.3300   1.2240   7.9030   1.5250   4.7580   1.9140 3.146000 2.447000 
1 1 1   11    9   29 o   4.7380   1.2610   6.1010   1.9580   3.3760   1.5910 2.725000 2.523000 
1 1 1   11    9   30 o   4.0390   1.1980   4.7180   1.8180   3.3610   1.5600 1.357000 2.396000 
1 1 1   11    9   31 o   3.4970   1.1290   3.9790   1.7270   3.0150   1.4540 0.9637000 2.258000 
1 1 1   11    9   32 o   4.1180   1.2410   3.1110   1.4940   5.1250   1.9820 -2.014000 2.482000 
1 1 1   11    9   33 f   3.7620   1.2870   3.2840   1.6270   4.2400   1.9940 -0.9555000 2.574000 
1 1 1   11    9   34 o   3.0010   1.0310   3.1170   1.5060   2.8840   1.4090 0.2333000 2.062000 
1 1 1   11    9   35 o   2.2530   0.8123   2.1180   1.0810   2.3880   1.2130 -0.2700000 1.625000 
1 1 1   11   11    0 o   31.480   0.3016   31.780   0.4256   31.170   0.4273 0.6024000 0.6031000 
1 1 1   11   11    1 o   35.950   0.3179   36.320   0.4493   35.570   0.4499 0.7499000 0.6358000 
1 1 1   11   11    2 o   42.700   0.3903   42.280   0.4896   43.110   0.6079 -0.8353000 0.7805000 
1 1 1   11   11    3 o   11.580   0.4336   11.620   0.6078   11.540   0.6186 0.8421000E-01 0.8672000 
1 1 1   11   11    4 o   8.3360   0.6174   8.6850   0.8215   7.9880   0.9217 0.6977000 1.235000 
1 1 1   11   11    5 o   49.150   0.3392   49.400   0.4809   48.900   0.4783 0.4975000 0.6783000 
1 1 1   11   11    6 o   36.780   0.2901   36.540   0.4074   37.020   0.4132 -0.4822000 0.5802000 
1 1 1   11   11    7 o   20.980   0.3087   20.810   0.4323   21.140   0.4408 -0.3251000 0.6174000 
1 1 1   11   11    8 o   47.390   0.3377   47.570   0.4777   47.210   0.4773 0.3523000 0.6753000 
1 1 1   11   11    9 o   14.580   0.4291   14.950   0.5771   14.220   0.6350 0.7279000 0.8581000 
1 1 1   11   11   10 o   33.140   0.3274   33.510   0.4885   32.770   0.4360 0.7346000 0.6548000 
1 1 1   11   11   11 o   96.990   0.6212   96.970   0.8780   97.010   0.8790 -0.3713000E-01 1.242000 
1 1 1   11   11   12 o   5.0680   1.2010   5.8870   1.7060   4.2490   1.6920 1.638000 2.402000 
1 1 1   11   11   13 o   39.970   0.3750   39.980   0.5277   39.960   0.5330 0.2026000E-01 0.7500000 
1 1 1   11   11   14 o   46.710   0.4200   46.980   0.5985   46.430   0.5894 0.5498000 0.8400000 
1 1 1   11   11   15 o   33.480   0.4095   34.050   0.5902   32.910   0.5679 1.138000 0.8191000 
1 1 1   11   11   16 o   34.610   0.3474   35.030   0.4857   34.190   0.4967 0.8473000 0.6947000 
1 1 1   11   11   17 o   34.040   0.3476   34.210   0.4919   33.860   0.4914 0.3422000 0.6953000 
1 1 1   11   11   18 o   24.320   0.4482   24.620   0.6313   24.030   0.6365 0.5923000 0.8965000 
1 1 1   11   11   19 o   35.020   0.4968   35.090   0.6923   34.960   0.7126 0.1387000 0.9935000 
1 1 1   11   11   20 o   18.490   0.5232   18.680   0.6791   18.300   0.7961 0.3816000 1.046000 
1 1 1   11   11   21 o   15.310   0.5023   15.450   0.6835   15.160   0.7363 0.2880000 1.005000 
1 1 1   11   11   22 o   21.910   0.3830   22.250   0.5065   21.570   0.5748 0.6762000 0.7661000 
1 1 1   11   11   23 o   4.7910   1.1950   4.9250   1.6510   4.6570   1.7280 0.2683000 2.390000 
1 1 1   11   11   24 o   8.1530   0.9427   8.0360   1.2940   8.2700   1.3710 -0.2340000 1.885000 
1 1 1   11   11   25 o   15.610   0.5054   15.760   0.6740   15.460   0.7534 0.2975000 1.011000 
1 1 1   11   11   26 o   21.040   0.4233   21.020   0.5817   21.050   0.6151 -0.3047000E-01 0.8466000 
1 1 1   11   11   27 o   4.7290   1.2960   4.8670   1.8020   4.5910   1.8630 0.2754000 2.592000 
1 1 1   11   11   28 o   5.9970   1.5080   5.1630   2.0670   6.8310   2.1970 -1.668000 3.016000 
1 1 1   11   11   29 o   5.1880   1.2560   6.3170   1.8050   4.0590   1.7460 2.258000 2.511000 
1 1 1   11   11   30 f   3.3870   1.1160   2.9410   1.4230   3.8340   1.7200 -0.8929000 2.233000 
1 1 1   11   11   31 o   3.9900   1.2090   4.7350   1.8580   3.2460   1.5480 1.490000 2.419000 
1 1 1   11   11   32 f   5.0120   1.5430   4.4130   1.9850   5.6110   2.3650 -1.198000 3.087000 
1 1 1   11   11   33 o   2.5910   0.9135   2.5600   1.2790   2.6220   1.3050 -0.6167000E-01 1.827000 
1 1 1   11   11   34 o   2.1230   0.7655   2.1330   1.0880   2.1120   1.0780 0.2078000E-01 1.531000 
1 1 1   11   13    0 o   38.520   0.2944   38.510   0.4167   38.530   0.4160 -0.1890000E-01 0.5888000 
1 1 1   11   13    1 f   46.320   0.3276   46.670   0.4649   45.970   0.4618 0.7044000 0.6553000 
1 1 1   11   13    2 o   41.830   0.3093   42.020   0.4379   41.640   0.4371 0.3820000 0.6187000 
1 1 1   11   13    3 o   55.410   0.3757   55.350   0.5303   55.460   0.5324 -0.1062000 0.7514000 
1 1 1   11   13    4 o   18.090   0.3606   18.230   0.4989   17.940   0.5207 0.2884000 0.7212000 
1 1 1   11   13    5 o   9.9920   0.6362   10.670   0.8180   9.3150   0.9747 1.353000 1.272000 
1 1 1   11   13    6 o   45.260   0.3601   45.210   0.5410   45.310   0.4754 -0.9473000E-01 0.7202000 
1 1 1   11   13    7 o   29.510   0.3078   29.810   0.4305   29.220   0.4400 0.5934000 0.6156000 
1 1 1   11   13    8 o   80.060   0.5207   80.330   0.7383   79.780   0.7346 0.5510000 1.041000 
1 1 1   11   13    9 o   30.190   0.3265   30.450   0.4529   29.930   0.4705 0.5214000 0.6531000 
1 1 1   11   13   10 o   72.020   0.5481   72.320   0.7767   71.720   0.7735 0.5964000 1.096000 
1 1 1   11   13   11 o   17.710   0.5056   17.120   0.7147   18.310   0.7154 -1.188000 1.011000 
1 1 1   11   13   12 o   36.580   0.4701   35.680   0.5800   37.480   0.7401 -1.797000 0.9403000 
1 1 1   11   13   13 o   24.740   0.4665   25.110   0.6643   24.380   0.6551 0.7289000 0.9330000 
1 1 1   11   13   14 o   42.990   0.3585   43.280   0.5039   42.700   0.5102 0.5819000 0.7171000 
1 1 1   11   13   15 o   14.460   0.5892   13.980   0.8306   14.940   0.8361 -0.9606000 1.178000 
1 1 1   11   13   16 o   51.090   0.3840   50.970   0.5393   51.220   0.5468 -0.2503000 0.7680000 
1 1 1   11   13   17 o   17.370   0.5689   18.370   0.7893   16.380   0.8196 1.996000 1.138000 
1 1 1   11   13   18 o   14.110   0.8591   13.620   1.1600   14.610   1.2670 -0.9944000 1.718000 
1 1 1   11   13   19 o   13.240   0.7056   13.940   0.8473   12.540   1.1290 1.400000 1.411000 
1 1 1   11   13   20 o   5.2410   1.2010   4.6840   1.6860   5.7990   1.7100 -1.116000 2.402000 
1 1 1   11   13   21 o   12.380   0.6109   12.440   0.8237   12.320   0.9023 0.1198000 1.222000 
1 1 1   11   13   22 o   15.690   0.4899   15.860   0.6524   15.530   0.7310 0.3333000 0.9798000 
1 1 1   11   13   23 o   11.720   0.6491   11.750   0.8753   11.690   0.9588 0.6143000E-01 1.298000 
1 1 1   11   13   24 o   4.7440   1.1400   3.3970   1.5050   6.0910   1.7130 -2.694000 2.280000 
1 1 1   11   13   25 o   9.5330   0.9010   10.970   1.0130   8.1000   1.4900 2.865000 1.802000 
1 1 1   11   13   26 o   3.2780   1.0730   2.5750   1.2680   3.9820   1.7310 -1.407000 2.146000 
1 1 1   11   13   27 o   4.4380   1.3530   4.2960   1.8810   4.5790   1.9450 -0.2832000 2.706000 
1 1 1   11   13   28 o   5.5930   1.3060   4.9330   1.8250   6.2530   1.8680 -1.320000 2.611000 
1 1 1   11   13   29 o   3.5050   1.1420   3.6230   1.6360   3.3880   1.5950 0.2350000 2.284000 
1 1 1   11   13   30 o   4.5900   1.3020   3.7840   1.6970   5.3960   1.9760 -1.612000 2.604000 
1 1 1   11   13   31 o   4.5130   1.4570   4.5550   2.0510   4.4720   2.0690 0.8277000E-01 2.914000 
1 1 1   11   13   32 o   2.8540   0.9997   2.9390   1.4400   2.7700   1.3870 0.1691000 1.999000 
1 1 1   11   13   33 o   2.3280   0.8307   2.1590   1.0980   2.4980   1.2470 -0.3384000 1.661000 
1 1 1   11   15    0 o   27.940   0.3566   27.100   0.5044   28.770   0.5042 -1.666000 0.7132000 
1 1 1   11   15    1 o   27.170   0.3142   27.120   0.4460   27.230   0.4427 -0.1189000 0.6284000 
1 1 1   11   15    2 o   32.210   0.3069   32.400   0.4351   32.030   0.4329 0.3763000 0.6138000 
1 1 1   11   15    3 o   61.750   0.4167   61.760   0.5879   61.750   0.5907 0.9338000E-02 0.8334000 
1 1 1   11   15    4 o   44.980   0.3413   45.750   0.4840   44.220   0.4814 1.535000 0.6827000 
1 1 1   11   15    5 o   20.220   0.4019   20.920   0.5397   19.520   0.5957 1.402000 0.8038000 
1 1 1   11   15    6 o   22.750   0.4316   22.690   0.5894   22.820   0.6306 -0.1245000 0.8632000 
1 1 1   11   15    7 o   66.120   0.5138   66.410   0.7265   65.830   0.7267 0.5803000 1.028000 
1 1 1   11   15    8 o   81.480   0.6152   81.390   0.8677   81.570   0.8723 -0.1785000 1.230000 
1 1 1   11   15    9 o   20.460   0.5507   19.330   0.6630   21.580   0.8795 -2.254000 1.101000 
1 1 1   11   15   10 o   28.550   0.4655   28.020   0.6713   29.080   0.6452 -1.059000 0.9311000 
1 1 1   11   15   11 o   47.130   0.4415   47.140   0.6285   47.120   0.6203 0.2456000E-01 0.8830000 
1 1 1   11   15   12 o   7.7820   1.1600   8.0260   1.5570   7.5380   1.7210 0.4878000 2.321000 
1 1 1   11   15   13 o   7.2430   1.1840   6.7820   1.7320   7.7050   1.6140 -0.9229000 2.368000 
1 1 1   11   15   14 o   26.570   0.3830   26.460   0.5325   26.680   0.5508 -0.2150000 0.7661000 
1 1 1   11   15   15 o   33.740   0.4080   33.640   0.5810   33.850   0.5729 -0.2104000 0.8160000 
1 1 1   11   15   16 o   15.850   0.6060   16.580   0.8154   15.110   0.8967 1.470000 1.212000 
1 1 1   11   15   17 o   18.180   0.5487   18.150   0.7019   18.210   0.8436 -0.5998000E-01 1.097000 
1 1 1   11   15   18 o   11.330   0.7121   12.220   0.8848   10.440   1.1160 1.779000 1.424000 
1 1 1   11   15   19 o   17.220   0.4784   17.240   0.6508   17.200   0.7015 0.4122000E-01 0.9569000 
1 1 1   11   15   20 o   11.770   0.6584   11.320   0.9249   12.220   0.9373 -0.8966000 1.317000 
1 1 1   11   15   21 o   8.5440   0.9266   8.1020   1.3280   8.9860   1.2930 -0.8843000 1.853000 
1 1 1   11   15   22 o   3.4380   1.0760   3.0360   1.4040   3.8400   1.6310 -0.8040000 2.152000 
1 1 1   11   15   23 o   3.8870   1.1510   3.3380   1.4980   4.4350   1.7470 -1.098000 2.301000 
1 1 1   11   15   24 f   10.300   0.8182   10.400   1.0870   10.190   1.2230 0.2117000 1.636000 
1 1 1   11   15   25 o   3.5180   1.1250   3.7090   1.6250   3.3270   1.5560 0.3818000 2.250000 
1 1 1   11   15   26 o   4.6060   1.3830   5.1940   2.0640   4.0180   1.8420 1.176000 2.766000 
1 1 1   11   15   27 o   6.3100   1.2190   8.1150   1.5790   4.5060   1.8580 3.609000 2.438000 
1 1 1   11   15   28 o   7.8880   1.2430   7.4530   1.7600   8.3230   1.7570 -0.8699000 2.487000 
1 1 1   11   15   29 o   4.8150   1.3360   5.2970   1.9310   4.3320   1.8460 0.9656000 2.671000 
1 1 1   11   15   30 o   3.4260   1.1580   3.1760   1.5480   3.6750   1.7230 -0.4983000 2.316000 
1 1 1   11   15   31 o   2.8660   1.0060   3.3970   1.6230   2.3340   1.1890 1.062000 2.011000 
1 1 1   11   15   32 o   2.8410   0.9769   2.2170   1.1240   3.4650   1.5980 -1.249000 1.954000 
1 1 1   11   17    0 o   21.800   0.4695   21.870   0.6630   21.730   0.6648 0.1442000 0.9389000 
1 1 1   11   17    1 o   34.490   0.3895   34.620   0.5498   34.360   0.5518 0.2585000 0.7790000 
1 1 1   11   17    2 o   26.170   0.4278   25.800   0.6076   26.550   0.6025 -0.7546000 0.8557000 
1 1 1   11   17    3 o   24.220   0.4016   24.710   0.5506   23.720   0.5849 0.9903000 0.8033000 
1 1 1   11   17    4 o   16.010   0.5587   16.120   0.7704   15.900   0.8094 0.2216000 1.117000 
1 1 1   11   17    5 o   42.450   0.3569   42.690   0.5010   42.210   0.5084 0.4809000 0.7138000 
1 1 1   11   17    6 o   25.490   0.4392   24.790   0.5679   26.180   0.6701 -1.391000 0.8783000 
1 1 1   11   17    7 o   17.050   0.6609   17.410   0.9147   16.690   0.9542 0.7177000 1.322000 
1 1 1   11   17    8 o   57.630   0.4826   58.160   0.6806   57.090   0.6845 1.075000 0.9653000 
1 1 1   11   17    9 o   45.530   0.4140   46.440   0.6302   44.620   0.5370 1.814000 0.8280000 
1 1 1   11   17   10 o   37.700   0.3832   38.430   0.5671   36.960   0.5156 1.468000 0.7664000 
1 1 1   11   17   11 o   20.750   0.4604   20.660   0.6395   20.850   0.6626 -0.1881000 0.9209000 
1 1 1   11   17   12 o   8.1070   1.1310   8.1270   1.5770   8.0870   1.6220 0.4037000E-01 2.263000 
1 1 1   11   17   13 o   18.020   0.5744   18.430   0.7905   17.600   0.8335 0.8313000 1.149000 
1 1 1   11   17   14 o   23.200   0.4733   23.130   0.6686   23.260   0.6702 -0.1355000 0.9467000 
1 1 1   11   17   15 o   15.650   0.6440   15.960   0.8065   15.330   1.0040 0.6260000 1.288000 
1 1 1   11   17   16 o   9.5950   1.0020   8.8010   1.3990   10.390   1.4350 -1.589000 2.004000 
1 1 1   11   17   17 o   13.680   0.5916   14.310   0.7809   13.060   0.8888 1.251000 1.183000 
1 1 1   11   17   18 o   19.670   0.4756   19.140   0.6042   20.210   0.7347 -1.074000 0.9512000 
1 1 1   11   17   19 o   3.6210   1.1030   2.9250   1.3730   4.3170   1.7260 -1.392000 2.206000 
1 1 1   11   17   20 o   10.860   0.7356   10.890   0.9979   10.830   1.0810 0.6318000E-01 1.471000 
1 1 1   11   17   21 o   14.590   0.5574   14.000   0.8032   15.170   0.7731 -1.168000 1.115000 
1 1 1   11   17   22 o   7.4500   1.1180   6.7180   1.6640   8.1820   1.4920 -1.465000 2.235000 
1 1 1   11   17   23 o   5.9900   1.1470   3.9680   1.6670   8.0120   1.5760 -4.044000 2.294000 
1 1 1   11   17   24 f   4.2960   1.2750   4.1040   1.7390   4.4870   1.8650 -0.3825000 2.550000 
1 1 1   11   17   25 o   5.9170   1.4290   7.3640   2.1310   4.4710   1.9040 2.894000 2.857000 
1 1 1   11   17   26 o   3.7850   1.1810   3.0610   1.4640   4.5090   1.8530 -1.448000 2.362000 
1 1 1   11   17   27 o   3.2770   1.0930   3.4580   1.5930   3.0970   1.4970 0.3610000 2.186000 
1 1 1   11   17   28 o   5.4920   1.3910   5.1580   1.9410   5.8260   1.9940 -0.6683000 2.783000 
1 1 1   11   17   29 o   6.6020   1.5250   7.3140   2.0960   5.8900   2.2140 1.423000 3.049000 
1 1 1   11   17   30 o   3.5490   1.1810   3.9780   1.8040   3.1200   1.5250 0.8579000 2.362000 
1 1 1   11   17   31 o   2.3060   0.8227   2.2830   1.1500   2.3300   1.1770 -0.4707000E-01 1.645000 
1 1 1   11   19    0 o   42.290   0.4121   42.740   0.5905   41.840   0.5751 0.9073000 0.8242000 
1 1 1   11   19    1 o   38.880   0.4053   39.170   0.5802   38.590   0.5662 0.5718000 0.8107000 
1 1 1   11   19    2 o   48.200   0.4327   48.690   0.6179   47.720   0.6060 0.9712000 0.8654000 
1 1 1   11   19    3 o   55.960   0.4713   55.920   0.6627   55.990   0.6703 -0.6623000E-01 0.9426000 
1 1 1   11   19    4 o   10.290   1.1050   11.170   1.4030   9.4140   1.7060 1.751000 2.209000 
1 1 1   11   19    5 o   25.300   0.4886   25.090   0.6869   25.510   0.6952 -0.4214000 0.9773000 
1 1 1   11   19    6 o   26.300   0.3967   26.630   0.5422   25.970   0.5792 0.6600000 0.7934000 
1 1 1   11   19    7 o   11.090   0.8091   10.820   1.1370   11.350   1.1510 -0.5331000 1.618000 
1 1 1   11   19    8 o   17.380   0.5289   16.750   0.7365   18.000   0.7593 -1.255000 1.058000 
1 1 1   11   19    9 o   28.270   0.4275   28.090   0.5957   28.460   0.6134 -0.3703000 0.8551000 
1 1 1   11   19   10 o   27.430   0.4225   27.090   0.5772   27.760   0.6172 -0.6738000 0.8450000 
1 1 1   11   19   11 f   13.290   0.7464   13.400   1.0320   13.180   1.0780 0.2296000 1.493000 
1 1 1   11   19   12 o   10.530   0.8195   9.9870   1.1740   11.080   1.1430 -1.091000 1.639000 
1 1 1   11   19   13 o   27.190   0.4357   27.180   0.5799   27.210   0.6505 -0.3176000E-01 0.8714000 
1 1 1   11   19   14 o   15.140   0.6487   15.430   0.8395   14.850   0.9891 0.5816000 1.297000 
1 1 1   11   19   15 o   11.290   0.7306   11.300   1.0100   11.270   1.0560 0.3013000E-01 1.461000 
1 1 1   11   19   16 o   15.630   0.5239   16.190   0.7070   15.060   0.7732 1.134000 1.048000 
1 1 1   11   19   17 o   10.400   0.7753   10.260   1.0910   10.550   1.1010 -0.2871000 1.551000 
1 1 1   11   19   18 o   4.9030   1.2320   5.4000   1.7650   4.4050   1.7200 0.9953000 2.464000 
1 1 1   11   19   19 o   6.4770   1.1910   7.6610   1.5160   5.2920   1.8360 2.369000 2.381000 
1 1 1   11   19   20 o   4.9060   1.2540   4.4170   1.7360   5.3950   1.8090 -0.9784000 2.507000 
1 1 1   11   19   21 o   9.3970   0.9451   8.2860   1.4720   10.510   1.1860 -2.222000 1.890000 
1 1 1   11   19   22 o   3.5610   1.1410   2.8030   1.3610   4.3200   1.8310 -1.517000 2.281000 
1 1 1   11   19   23 o   4.5360   1.3920   5.1320   2.0920   3.9400   1.8360 1.193000 2.784000 
1 1 1   11   19   24 f   6.5010   1.4930   6.0310   2.1070   6.9720   2.1170 -0.9407000 2.987000 
1 1 1   11   19   25 o   5.9970   1.3870   6.2990   1.9410   5.6950   1.9820 0.6042000 2.774000 
1 1 1   11   19   26 o   3.5800   1.1520   4.1550   1.7820   3.0050   1.4600 1.150000 2.304000 
1 1 1   11   19   27 o   5.8920   1.4980   6.7230   2.1510   5.0600   2.0840 1.663000 2.995000 
1 1 1   11   19   28 o   3.4640   1.2000   3.7720   1.8070   3.1550   1.5810 0.6169000 2.401000 
1 1 1   11   19   29 o   4.2910   1.3300   4.6300   1.9400   3.9520   1.8200 0.6783000 2.660000 
1 1 1   11   19   30 o   2.2040   0.7900   2.1590   1.0950   2.2490   1.1390 -0.9057000E-01 1.580000 
1 1 1   11   21    0 o   50.670   0.4386   50.130   0.6125   51.200   0.6280 -1.074000 0.8773000 
1 1 1   11   21    1 o   17.340   0.5891   17.030   0.8223   17.660   0.8437 -0.6233000 1.178000 
1 1 1   11   21    2 o   18.960   0.5466   18.440   0.7711   19.490   0.7748 -1.053000 1.093000 
1 1 1   11   21    3 o   31.890   0.4111   31.530   0.5760   32.240   0.5866 -0.7094000 0.8221000 
1 1 1   11   21    4 o   49.270   0.4350   49.250   0.6130   49.290   0.6174 -0.4334000E-01 0.8700000 
1 1 1   11   21    5 o   15.940   0.6263   15.710   0.8981   16.170   0.8732 -0.4601000 1.253000 
1 1 1   11   21    6 o   22.610   0.4697   22.820   0.6497   22.400   0.6784 0.4188000 0.9393000 
1 1 1   11   21    7 o   22.780   0.4159   23.140   0.5612   22.430   0.6139 0.7176000 0.8317000 
1 1 1   11   21    8 o   9.8360   0.8805   10.570   1.0840   9.1030   1.3880 1.466000 1.761000 
1 1 1   11   21    9 o   8.0630   1.0640   6.5290   1.6680   9.5960   1.3200 -3.067000 2.127000 
1 1 1   11   21   10 o   19.850   0.5087   20.100   0.6588   19.600   0.7754 0.4997000 1.017000 
1 1 1   11   21   11 o   20.540   0.4941   20.640   0.6465   20.440   0.7475 0.2038000 0.9883000 
1 1 1   11   21   12 o   11.820   0.7831   10.290   1.2760   13.340   0.9082 -3.053000 1.566000 
1 1 1   11   21   13 o   7.6100   1.1150   8.9110   1.3120   6.3100   1.8040 2.601000 2.231000 
1 1 1   11   21   14 f   6.7010   1.1880   5.9810   1.7470   7.4220   1.6100 -1.441000 2.375000 
1 1 1   11   21   15 f   10.250   0.8087   10.290   1.1090   10.210   1.1780 0.8316000E-01 1.617000 
1 1 1   11   21   16 o   12.440   0.6853   13.150   0.9017   11.740   1.0320 1.412000 1.371000 
1 1 1   11   21   17 o   3.1210   1.0320   3.3660   1.5320   2.8750   1.3820 0.4910000 2.063000 
1 1 1   11   21   18 o   12.180   0.7306   13.510   0.8985   10.840   1.1520 2.668000 1.461000 
1 1 1   11   21   19 o   11.260   0.7722   11.400   1.0820   11.120   1.1020 0.2752000 1.544000 
1 1 1   11   21   20 o   3.1570   1.0690   3.0960   1.4840   3.2180   1.5390 -0.1218000 2.137000 
1 1 1   11   21   21 o   6.4130   1.4110   6.2470   1.9750   6.5800   2.0150 -0.3335000 2.821000 
1 1 1   11   21   22 o   5.3990   1.5050   5.7900   2.2200   5.0080   2.0330 0.7815000 3.010000 
1 1 1   11   21   23 o   4.2770   1.2620   3.7610   1.6660   4.7940   1.8950 -1.033000 2.524000 
1 1 1   11   21   24 o   6.7180   1.3600   7.0730   1.8630   6.3630   1.9840 0.7098000 2.721000 
1 1 1   11   21   25 o   5.1980   1.3440   4.1190   1.7900   6.2770   2.0070 -2.159000 2.689000 
1 1 1   11   21   26 o   3.0800   1.0710   2.5130   1.2830   3.6470   1.7150 -1.135000 2.142000 
1 1 1   11   21   27 o   4.0980   1.2910   4.5100   1.9190   3.6850   1.7280 0.8247000 2.582000 
1 1 1   11   21   28 o   2.6510   0.9247   2.9410   1.4160   2.3610   1.1890 0.5794000 1.849000 
1 1 1   11   23    0 f   27.270   0.3558   27.270   0.5021   27.270   0.5044 -0.4959000E-02 0.7117000 
1 1 1   11   23    1 o   14.260   0.5699   13.640   0.8431   14.880   0.7671 -1.239000 1.140000 
1 1 1   11   23    2 o   22.320   0.3996   22.520   0.5603   22.120   0.5700 0.3907000 0.7992000 
1 1 1   11   23    3 o   13.770   0.6196   14.000   0.8271   13.540   0.9227 0.4541000 1.239000 
1 1 1   11   23    4 o   34.900   0.4026   35.450   0.5435   34.360   0.5942 1.089000 0.8053000 
1 1 1   11   23    5 f   8.5350   1.1280   8.8750   1.4340   8.1960   1.7430 0.6791000 2.257000 
1 1 1   11   23    6 o   12.900   0.7527   13.030   0.9614   12.780   1.1580 0.2567000 1.505000 
1 1 1   11   23    7 o   27.980   0.4148   27.110   0.5544   28.850   0.6171 -1.738000 0.8296000 
1 1 1   11   23    8 o   19.880   0.4434   19.790   0.6091   19.970   0.6445 -0.1831000 0.8868000 
1 1 1   11   23    9 o   15.050   0.5625   15.540   0.7407   14.560   0.8468 0.9804000 1.125000 
1 1 1   11   23   10 o   17.880   0.4862   18.070   0.6526   17.700   0.7210 0.3652000 0.9725000 
1 1 1   11   23   11 o   7.9680   1.0470   7.5290   1.4730   8.4060   1.4870 -0.8763000 2.093000 
1 1 1   11   23   12 o   16.870   0.5147   17.740   0.6519   16.000   0.7966 1.745000 1.029000 
1 1 1   11   23   13 o   13.040   0.6596   12.810   0.8863   13.270   0.9772 -0.4670000 1.319000 
1 1 1   11   23   14 o   6.5290   1.2340   5.2130   1.8300   7.8450   1.6550 -2.632000 2.467000 
1 1 1   11   23   15 o   3.6630   1.1330   4.3270   1.7510   2.9990   1.4380 1.327000 2.266000 
1 1 1   11   23   16 o   6.3330   1.2840   5.9690   1.8500   6.6960   1.7820 -0.7268000 2.568000 
1 1 1   11   23   17 o   14.010   0.6620   14.000   0.9266   14.020   0.9457 -0.2493000E-01 1.324000 
1 1 1   11   23   18 o   5.6280   1.3760   4.8910   1.8920   6.3650   1.9990 -1.474000 2.752000 
1 1 1   11   23   19 o   4.9430   1.3180   4.3150   1.8030   5.5720   1.9240 -1.256000 2.636000 
1 1 1   11   23   20 o   3.9520   1.2750   3.5060   1.6740   4.3980   1.9230 -0.8916000 2.550000 
1 1 1   11   23   21 o   4.8140   1.1900   2.7110   1.3420   6.9170   1.9650 -4.205000 2.380000 
1 1 1   11   23   22 o   5.9220   1.2860   4.1410   1.7850   7.7030   1.8530 -3.562000 2.572000 
1 1 1   11   23   23 o   3.2780   1.0950   2.6950   1.3370   3.8600   1.7340 -1.165000 2.190000 
1 1 1   11   23   24 o   4.5770   1.3490   5.4830   2.0730   3.6710   1.7270 1.812000 2.698000 
1 1 1   11   23   25 o   2.4110   0.8682   2.3080   1.1770   2.5140   1.2770 -0.2063000 1.736000 
1 1 1   11   23   26 o   3.2080   1.1000   2.9070   1.4360   3.5080   1.6670 -0.6013000 2.200000 
1 1 1   11   23   27 o   2.2740   0.8235   2.2710   1.1570   2.2780   1.1720 -0.7195000E-02 1.647000 
1 1 1   11   25    0 o   21.990   0.4916   21.680   0.8048   22.290   0.5649 -0.6061000 0.9833000 
1 1 1   11   25    1 o   21.280   0.4970   21.700   0.8019   20.860   0.5874 0.8366000 0.9940000 
1 1 1   11   25    2 o   11.150   0.9310   9.9470   1.6210   12.360   0.9164 -2.410000 1.862000 
1 1 1   11   25    3 o   10.550   0.9567   11.050   1.4580   10.050   1.2390 1.007000 1.913000 
1 1 1   11   25    4 f   4.2360   1.2840   4.9770   2.0200   3.4960   1.5860 1.481000 2.568000 
1 1 1   11   25    5 o   12.960   0.7910   13.740   1.1950   12.180   1.0370 1.560000 1.582000 
1 1 1   11   25    6 o   7.6650   1.1290   7.2010   1.6240   8.1300   1.5700 -0.9291000 2.258000 
1 1 1   11   25    7 o   10.130   0.8930   11.800   0.9654   8.4570   1.5030 3.343000 1.786000 
1 1 1   11   25    8 o   5.3580   1.2130   6.5490   1.6840   4.1670   1.7470 2.383000 2.426000 
1 1 1   11   25    9 o   6.0130   1.2640   5.2000   1.7830   6.8270   1.7910 -1.627000 2.527000 
1 1 1   11   25   10 o   13.830   0.6447   13.320   0.8919   14.350   0.9310 -1.031000 1.289000 
1 1 1   11   25   11 o   10.570   0.8466   11.120   1.0700   10.020   1.3130 1.096000 1.693000 
1 1 1   11   25   12 o   6.1360   1.1080   8.4430   1.4190   3.8290   1.7030 4.614000 2.216000 
1 1 1   11   25   13 o   11.220   0.7939   11.010   1.0980   11.430   1.1470 -0.4190000 1.588000 
1 1 1   11   25   14 o   9.0580   1.1310   8.8360   1.5960   9.2790   1.6040 -0.4426000 2.263000 
1 1 1   11   25   15 o   8.9620   1.1760   10.740   1.2970   7.1810   1.9610 3.563000 2.351000 
1 1 1   11   25   16 o   6.9700   1.3210   5.4330   1.9900   8.5070   1.7370 -3.074000 2.642000 
1 1 1   11   25   17 o   8.0530   1.4790   7.8020   2.1920   8.3040   1.9870 -0.5020000 2.958000 
1 1 1   11   25   18 o   6.9730   1.5610   6.4300   2.2170   7.5170   2.1990 -1.086000 3.122000 
1 1 1   11   25   19 o   4.1050   1.2660   4.3350   1.8320   3.8740   1.7470 0.4606000 2.532000 
1 1 1   11   25   20 o   4.4800   1.2710   5.5820   1.9820   3.3780   1.5910 2.204000 2.541000 
1 1 1   11   25   21 o   3.8190   1.2160   3.4640   1.6200   4.1730   1.8120 -0.7090000 2.431000 
1 1 1   11   25   22 o   5.5110   1.4510   6.5140   2.1550   4.5090   1.9420 2.005000 2.901000 
1 1 1   11   25   23 o   3.5770   1.1930   3.1190   1.5220   4.0360   1.8380 -0.9166000 2.387000 
1 1 1   11   25   24 o   2.5190   0.8983   2.6890   1.3410   2.3480   1.1950 0.3409000 1.797000 
1 1 1   11   25   25 o   2.6390   0.9539   2.7420   1.3860   2.5360   1.3110 0.2051000 1.908000 
1 1 1   11   27    0 o   9.8810   0.8552   11.220   1.0320   8.5470   1.3640 2.669000 1.710000 
1 1 1   11   27    1 o   4.7520   1.2320   4.0840   1.6850   5.4210   1.7980 -1.337000 2.464000 
1 1 1   11   27    2 o   4.3000   1.2210   4.2220   1.7050   4.3780   1.7480 -0.1561000 2.442000 
1 1 1   11   27    3 o   7.4820   1.1770   7.9320   1.5260   7.0310   1.7920 0.9004000 2.354000 
1 1 1   11   27    4 o   3.6630   1.1490   3.9610   1.6840   3.3650   1.5630 0.5961000 2.297000 
1 1 1   11   27    5 o   4.3990   1.2330   3.6110   1.6070   5.1870   1.8710 -1.576000 2.466000 
1 1 1   11   27    6 o   7.9810   1.1470   9.4900   1.3310   6.4720   1.8700 3.018000 2.295000 
1 1 1   11   27    7 o   11.840   0.7815   12.160   1.0350   11.530   1.1710 0.6205000 1.563000 
1 1 1   11   27    8 o   15.680   0.6277   15.300   0.9267   16.050   0.8470 -0.7506000 1.255000 
1 1 1   11   27    9 o   7.5240   1.4500   5.8330   2.3960   9.2140   1.6340 -3.381000 2.900000 
1 1 1   11   27   10 o   6.3320   1.6410   7.9400   2.6420   4.7250   1.9470 3.214000 3.282000 
1 1 1   11   27   11 o   5.1140   1.5510   6.5790   2.6020   3.6490   1.6890 2.929000 3.102000 
1 1 1   11   27   12 o   8.1370   1.6410   8.2290   2.7160   8.0440   1.8400 0.1847000 3.281000 
1 1 1   11   27   13 o   14.770   0.8134   14.950   1.2920   14.590   0.9885 0.3654000 1.627000 
1 1 1   11   27   14 o   4.8240   1.4790   4.6450   2.0500   5.0040   2.1330 -0.3598000 2.959000 
1 1 1   11   27   15 o   3.8880   1.2870   4.5500   2.0380   3.2250   1.5730 1.325000 2.574000 
1 1 1   11   27   16 o   3.6760   1.2270   3.7070   1.7830   3.6450   1.6870 0.6226000E-01 2.455000 
1 1 1   11   27   17 o   5.6550   1.5290   6.1220   2.3310   5.1880   1.9800 0.9339000 3.058000 
1 1 1   11   27   18 o   5.0570   1.5470   5.7320   2.4670   4.3820   1.8660 1.350000 3.094000 
1 1 1   11   27   19 o   4.0730   1.3550   3.7870   1.9030   4.3590   1.9300 -0.5714000 2.710000 
1 1 1   11   27   20 f   3.6710   1.2970   4.3790   2.1420   2.9630   1.4630 1.416000 2.594000 
1 1 1   11   27   21 o   2.8710   1.0150   2.9090   1.4630   2.8320   1.4070 0.7661000E-01 2.030000 
1 1 1   11   27   22 o   2.5580   0.9187   2.6780   1.3600   2.4370   1.2350 0.2415000 1.837000 
1 1 1   11   29    0 o   9.2400   1.1110   8.8780   1.6480   9.6010   1.4890 -0.7226000 2.221000 
1 1 1   11   29    1 o   6.5890   1.3890   6.8810   1.9470   6.2980   1.9820 0.5822000 2.778000 
1 1 1   11   29    2 o   13.070   0.8086   13.190   1.1380   12.950   1.1490 0.2420000 1.617000 
1 1 1   11   29    3 o   6.7460   1.4470   6.3550   2.0280   7.1360   2.0640 -0.7809000 2.894000 
1 1 1   11   29    4 o   11.570   0.9762   11.900   1.3000   11.240   1.4560 0.6516000 1.952000 
1 1 1   11   29    5 o   10.920   1.0190   10.280   1.4830   11.570   1.3990 -1.296000 2.038000 
1 1 1   11   29    6 o   8.1140   1.2010   8.0260   1.6580   8.2020   1.7400 -0.1762000 2.403000 
1 1 1   11   29    7 o   13.870   0.7169   13.950   0.9777   13.790   1.0490 0.1597000 1.434000 
1 1 1   11   29    8 o   5.1810   1.3440   5.8190   1.9250   4.5440   1.8740 1.275000 2.687000 
1 1 1   11   29    9 o   3.6820   1.1710   3.9000   1.7050   3.4640   1.6060 0.4359000 2.342000 
1 1 1   11   29   10 o   8.7620   1.3320   7.9800   2.0220   9.5450   1.7350 -1.565000 2.664000 
1 1 1   11   29   11 o   6.5410   1.5080   5.7150   2.1510   7.3680   2.1140 -1.653000 3.016000 
1 1 1   11   29   12 o   8.8640   1.3590   8.7410   1.9740   8.9860   1.8670 -0.2448000 2.717000 
1 1 1   11   29   13 o   4.1690   1.2680   4.5410   1.8620   3.7980   1.7230 0.7437000 2.536000 
1 1 1   11   29   14 o   3.3930   1.1280   3.7120   1.6910   3.0750   1.4940 0.6371000 2.257000 
1 1 1   11   29   15 o   3.2180   1.1110   3.0810   1.5150   3.3560   1.6240 -0.2755000 2.221000 
1 1 1   11   29   16 o   4.4420   1.3650   4.7130   1.9910   4.1700   1.8660 0.5428000 2.729000 
1 1 1   11   29   17 o   3.0260   1.0500   3.1390   1.5270   2.9120   1.4420 0.2277000 2.100000 
1 1 1   11   29   18 o   2.7950   0.9782   2.4650   1.2360   3.1250   1.5170 -0.6597000 1.956000 
1 1 1   11   29   19 o   3.1190   1.0650   3.6610   1.6910   2.5780   1.2950 1.084000 2.129000 
1 1 1   11   31    0 o   4.8440   1.3220   5.0860   1.8880   4.6030   1.8530 0.4833000 2.645000 
1 1 1   11   31    1 o   11.460   0.8511   11.370   1.1840   11.550   1.2230 -0.1865000 1.702000 
1 1 1   11   31    2 o   7.7220   1.3910   4.8400   1.9870   10.600   1.9470 -5.764000 2.782000 
1 1 1   11   31    3 o   8.9940   1.3110   9.7610   1.6960   8.2270   1.9990 1.534000 2.622000 
1 1 1   11   31    4 f   8.6470   1.3640   8.7570   1.9030   8.5360   1.9560 0.2206000 2.729000 
1 1 1   11   31    5 o   8.6030   1.3620   10.160   1.6420   7.0520   2.1720 3.104000 2.723000 
1 1 1   11   31    6 o   7.6760   1.3960   9.7060   1.7640   5.6450   2.1640 4.060000 2.792000 
1 1 1   11   31    7 o   3.4200   1.1500   3.3870   1.6310   3.4540   1.6220 -0.6621000E-01 2.300000 
1 1 1   11   31    8 o   2.7050   0.9479   2.4230   1.2170   2.9860   1.4530 -0.5630000 1.896000 
1 1 1   11   31    9 o   5.8940   1.2570   7.6880   1.7600   4.1000   1.7950 3.588000 2.514000 
1 1 1   11   31   10 f   3.7190   1.2270   3.2610   1.5770   4.1770   1.8790 -0.9160000 2.453000 
1 1 1   11   31   11 o   3.7160   1.2300   3.5660   1.6840   3.8660   1.7920 -0.2993000 2.459000 
1 1 1   11   31   12 f   3.2620   1.1160   2.9210   1.4470   3.6040   1.6990 -0.6828000 2.231000 
1 1 1   11   31   13 o   3.1570   1.0650   2.9780   1.4410   3.3350   1.5680 -0.3571000 2.129000 
1 1 1   11   31   14 o   2.4910   0.8808   2.3790   1.1970   2.6030   1.2920 -0.2246000 1.762000 
1 1 1   11   31   15 o   2.4440   0.8729   2.2980   1.1670   2.5900   1.2980 -0.2921000 1.746000 
1 1 1   11   31   16 o   2.2870   0.8393   2.2370   1.1610   2.3380   1.2130 -0.1003000 1.679000 
1 1 1   11   33    0 o   3.8500   1.2280   4.4040   1.8740   3.2960   1.5880 1.108000 2.456000 
1 1 1   11   33    1 o   3.5700   1.1790   2.9560   1.4480   4.1840   1.8620 -1.229000 2.359000 
1 1 1   11   33    2 o   3.0610   1.0560   3.3960   1.6120   2.7250   1.3640 0.6713000 2.112000 
1 1 1   11   33    3 o   4.1270   1.2850   3.3640   1.6050   4.8900   2.0090 -1.527000 2.571000 
1 1 1   11   33    4 o   3.7240   1.2110   4.2950   1.8720   3.1520   1.5350 1.143000 2.421000 
1 1 1   11   33    5 o   2.4530   0.8781   2.3280   1.1840   2.5780   1.2970 -0.2499000 1.756000 
1 1 1   11   33    6 o   2.8020   0.9729   2.7260   1.3440   2.8770   1.4070 -0.1513000 1.946000 
1 1 1   11   33    7 o   2.9720   1.0170   2.8420   1.3880   3.1020   1.4860 -0.2600000 2.033000 
1 1 1   11   33    8 o   4.2750   1.2840   4.4300   1.8650   4.1200   1.7670 0.3097000 2.569000 
1 1 1   11   33    9 o   2.6490   0.9264   2.7120   1.3340   2.5860   1.2850 0.1258000 1.853000 
1 1 1   11   33   10 o   2.6180   0.9169   2.1660   1.0990   3.0700   1.4680 -0.9038000 1.834000 
1 1 1   11   33   11 o   1.9390   0.7137   1.9730   1.0270   1.9050   0.9917 0.6796000E-01 1.427000 
1 1 1   12    0    0 o  117.300   1.0410  117.300   1.0410  117.300   1.0410 -0.000000 0.000000 
1 1 1   12    0    1 o   31.720   0.2968   31.720   0.2968   31.720   0.2968 -0.000000 0.000000 
1 1 1   12    0    2 o   15.320   0.2257   15.320   0.2257   15.320   0.2257 -0.000000 0.000000 
1 1 1   12    0    3 o   15.020   0.3344   15.020   0.3344   15.020   0.3344 0.000000 0.000000 
1 1 1   12    0    4 o   65.340   0.5859   65.340   0.5859   65.340   0.5859 0.000000 0.000000 
1 1 1   12    0    5 o   70.790   0.6346   70.790   0.6346   70.790   0.6346 -0.000000 0.000000 
1 1 1   12    0    6 o   35.430   0.4820   35.430   0.4820   35.430   0.4820 0.000000 0.000000 
1 1 1   12    0    7 f   61.930   0.5611   61.930   0.5611   61.930   0.5611 0.000000 0.000000 
1 1 1   12    0    8 o  101.000   1.2790  101.000   1.2790  101.000   1.2790 0.000000 0.000000 
1 1 1   12    0    9 o   60.910   0.5581   60.910   0.5581   60.910   0.5581 0.000000 0.000000 
1 1 1   12    0   10 o   1.5040   1.0350   1.5040   1.0350   1.5040   1.0350 -0.000000 0.000000 
1 1 1   12    0   11 o   4.5380   1.4080   4.5380   1.4080   4.5380   1.4080 0.000000 0.000000 
1 1 1   12    0   12 o   37.420   0.3913   37.420   0.3913   37.420   0.3913 0.000000 0.000000 
1 1 1   12    0   13 o   23.870   0.3759   23.870   0.3759   23.870   0.3759 -0.000000 0.000000 
1 1 1   12    0   14 o   21.650   0.4197   21.650   0.4197   21.650   0.4197 0.000000 0.000000 
1 1 1   12    0   15 o   1.4670   1.0580   1.4670   1.0580   1.4670   1.0580 -0.000000 0.000000 
1 1 1   12    0   16 o   81.010   0.7406   81.010   0.7406   81.010   0.7406 0.000000 0.000000 
1 1 1   12    0   17 o   35.470   0.6028   35.470   0.6028   35.470   0.6028 0.000000 0.000000 
1 1 1   12    0   18 o   32.320   0.4657   32.320   0.4657   32.320   0.4657 0.000000 0.000000 
1 1 1   12    0   19 o   3.4400   1.9730   3.4400   1.9730   3.4400   1.9730 0.000000 0.000000 
1 1 1   12    0   20 o   4.9390   2.1160   4.9390   2.1160   4.9390   2.1160 -0.000000 0.000000 
1 1 1   12    0   21 o   14.100   0.7727   14.100   0.7727   14.100   0.7727 -0.000000 0.000000 
1 1 1   12    0   22 o   7.2250   2.5230   7.2250   2.5230   7.2250   2.5230 -0.000000 0.000000 
1 1 1   12    0   23 o   7.0000   1.6560   7.0000   1.6560   7.0000   1.6560 -0.000000 0.000000 
1 1 1   12    0   24 o   3.6170   1.9610   3.6170   1.9610   3.6170   1.9610 -0.000000 0.000000 
1 1 1   12    0   25 o   1.4550   1.0650   1.4550   1.0650   1.4550   1.0650 0.000000 0.000000 
1 1 1   12    0   26 o   15.290   0.6991   15.290   0.6991   15.290   0.6991 -0.000000 0.000000 
1 1 1   12    0   27 o   9.7210   1.1290   9.7210   1.1290   9.7210   1.1290 -0.000000 0.000000 
1 1 1   12    0   28 o   1.6260   1.1820   1.6260   1.1820   1.6260   1.1820 0.000000 0.000000 
1 1 1   12    0   29 o   17.690   0.7046   17.690   0.7046   17.690   0.7046 -0.000000 0.000000 
1 1 1   12    0   30 o   2.8190   1.9030   2.8190   1.9030   2.8190   1.9030 0.000000 0.000000 
1 1 1   12    0   31 o   8.1360   1.7320   8.1360   1.7320   8.1360   1.7320 -0.000000 0.000000 
1 1 1   12    0   32 o   9.1570   1.6640   9.1570   1.6640   9.1570   1.6640 0.000000 0.000000 
1 1 1   12    0   33 o   2.4620   1.6950   2.4620   1.6950   2.4620   1.6950 0.000000 0.000000 
1 1 1   12    0   34 f   4.4990   2.6420   4.4990   2.6420   4.4990   2.6420 0.000000 0.000000 
1 1 1   12    0   35 f   2.1660   1.5260   2.1660   1.5260   2.1660   1.5260 -0.000000 0.000000 
1 1 1   12    0   36 o   1.6070   1.1820   1.6070   1.1820   1.6070   1.1820 -0.000000 0.000000 
1 1 1   12    2    0 o   78.330   0.5693   78.330   0.8049   78.320   0.8053 0.9369000E-02 1.139000 
1 1 1   12    2    1 o   44.800   0.3302   44.890   0.4676   44.720   0.4663 0.1707000 0.6604000 
1 1 1   12    2    2 o   33.370   0.2552   33.590   0.3624   33.160   0.3594 0.4268000 0.5104000 
1 1 1   12    2    3 o   20.050   0.2085   19.840   0.2954   20.270   0.2944 -0.4321000 0.4170000 
1 1 1   12    2    4 o   25.340   0.2129   25.910   0.2774   24.780   0.3231 1.132000 0.4258000 
1 1 1   12    2    5 o   30.650   0.2379   30.350   0.3583   30.960   0.3130 -0.6148000 0.4757000 
1 1 1   12    2    6 o   63.880   0.4081   64.220   0.5801   63.540   0.5743 0.6844000 0.8163000 
1 1 1   12    2    7 o   14.020   0.2482   13.850   0.3500   14.190   0.3522 -0.3374000 0.4965000 
1 1 1   12    2    8 o   85.180   0.7673   85.110   1.0840   85.250   1.0860 -0.1489000 1.535000 
1 1 1   12    2    9 o   36.490   0.3011   36.580   0.4223   36.400   0.4292 0.1771000 0.6021000 
1 1 1   12    2   10 o   21.970   0.2355   22.090   0.3274   21.840   0.3385 0.2488000 0.4709000 
1 1 1   12    2   11 o   32.460   0.2533   32.530   0.3566   32.390   0.3598 0.1371000 0.5066000 
1 1 1   12    2   12 o   20.310   0.2627   20.540   0.3613   20.090   0.3815 0.4569000 0.5255000 
1 1 1   12    2   13 o   15.200   0.3352   15.270   0.4651   15.130   0.4829 0.1391000 0.6705000 
1 1 1   12    2   14 o   41.250   0.3038   41.220   0.4275   41.290   0.4318 -0.6437000E-01 0.6077000 
1 1 1   12    2   15 o   65.960   0.4344   66.070   0.6147   65.840   0.6139 0.2324000 0.8688000 
1 1 1   12    2   16 o   23.030   0.3234   22.550   0.4500   23.510   0.4647 -0.9662000 0.6468000 
1 1 1   12    2   17 o   44.470   0.4712   44.460   0.6651   44.480   0.6678 -0.1708000E-01 0.9425000 
1 1 1   12    2   18 o   12.390   0.6306   12.690   0.8207   12.090   0.9577 0.6055000 1.261000 
1 1 1   12    2   19 o   16.090   0.4952   15.630   0.7118   16.550   0.6886 -0.9272000 0.9904000 
1 1 1   12    2   20 o   13.880   0.5843   13.500   0.8300   14.260   0.8226 -0.7598000 1.169000 
1 1 1   12    2   21 o   12.670   0.6251   12.900   0.8607   12.440   0.9068 0.4597000 1.250000 
1 1 1   12    2   22 o   20.770   0.5898   21.610   0.7869   19.930   0.8788 1.681000 1.180000 
1 1 1   12    2   23 o   10.550   0.6863   9.7610   1.0520   11.340   0.8819 -1.583000 1.373000 
1 1 1   12    2   24 o   6.6570   1.0520   7.9260   1.2580   5.3880   1.6860 2.538000 2.103000 
1 1 1   12    2   25 o   5.4220   1.1590   5.1130   1.6410   5.7300   1.6350 -0.6168000 2.317000 
1 1 1   12    2   26 o   3.5110   1.0720   3.1090   1.4130   3.9140   1.6130 -0.8049000 2.144000 
1 1 1   12    2   27 o   12.860   0.5930   13.010   0.8160   12.710   0.8606 0.2963000 1.186000 
1 1 1   12    2   28 o   10.320   0.7494   9.9730   1.0750   10.660   1.0440 -0.6904000 1.499000 
1 1 1   12    2   29 o   9.5040   0.8779   10.280   1.1060   8.7260   1.3640 1.556000 1.756000 
1 1 1   12    2   30 o   3.8410   1.2470   3.4160   1.6310   4.2660   1.8880 -0.8504000 2.495000 
1 1 1   12    2   31 o   8.2540   1.1100   8.4410   1.4830   8.0670   1.6510 0.3742000 2.219000 
1 1 1   12    2   32 o   4.3800   1.2880   3.9560   1.7400   4.8040   1.9010 -0.8487000 2.577000 
1 1 1   12    2   33 o   5.8300   1.2280   3.8440   1.7160   7.8170   1.7560 -3.973000 2.455000 
1 1 1   12    2   34 o   3.5350   1.2130   3.6610   1.7540   3.4100   1.6770 0.2511000 2.427000 
1 1 1   12    2   35 o   3.2640   1.0890   3.7520   1.7030   2.7750   1.3590 0.9767000 2.178000 
1 1 1   12    2   36 o   2.2150   0.7984   2.2080   1.1310   2.2220   1.1270 -0.1350000E-01 1.597000 
1 1 1   12    4    0 o   59.760   0.3802   59.630   0.5366   59.890   0.5388 -0.2550000 0.7604000 
1 1 1   12    4    1 o  127.200   0.8637  127.500   1.3090  126.800   1.1270 0.7755000 1.727000 
1 1 1   12    4    2 o   58.510   0.4334   58.560   0.6133   58.450   0.6125 0.1073000 0.8668000 
1 1 1   12    4    3 o   90.940   0.6636   91.160   0.9407   90.730   0.9362 0.4322000 1.327000 
1 1 1   12    4    4 o   24.800   0.2042   25.310   0.2894   24.300   0.2883 1.008000 0.4085000 
1 1 1   12    4    5 o   79.200   0.5028   79.430   0.7132   78.970   0.7090 0.4522000 1.006000 
1 1 1   12    4    6 o   10.910   0.3291   11.220   0.4512   10.600   0.4791 0.6202000 0.6581000 
1 1 1   12    4    7 o   40.820   0.3208   41.060   0.4553   40.570   0.4520 0.4827000 0.6415000 
1 1 1   12    4    8 o   46.130   0.3582   46.040   0.5038   46.230   0.5093 -0.1830000 0.7164000 
1 1 1   12    4    9 o   61.230   0.3975   61.410   0.5632   61.050   0.5610 0.3656000 0.7949000 
1 1 1   12    4   10 o   61.180   0.3986   60.910   0.5609   61.440   0.5665 -0.5295000 0.7972000 
1 1 1   12    4   11 o   49.620   0.3347   49.610   0.4726   49.630   0.4742 -0.2283000E-01 0.6695000 
1 1 1   12    4   12 o   34.320   0.2701   34.580   0.3822   34.060   0.3819 0.5186000 0.5403000 
1 1 1   12    4   13 o   29.070   0.2691   29.150   0.3764   28.990   0.3848 0.1560000 0.5382000 
1 1 1   12    4   14 o   5.6030   0.9812   5.1400   1.4480   6.0650   1.3250 -0.9247000 1.962000 
1 1 1   12    4   15 o   20.590   0.3359   20.060   0.4800   21.120   0.4700 -1.062000 0.6718000 
1 1 1   12    4   16 o   37.410   0.3583   37.780   0.4986   37.050   0.5146 0.7312000 0.7165000 
1 1 1   12    4   17 o   4.0080   1.2380   4.2050   1.7920   3.8100   1.7090 0.3950000 2.476000 
1 1 1   12    4   18 o   43.350   0.3445   43.280   0.4856   43.430   0.4888 -0.1417000 0.6890000 
1 1 1   12    4   19 o   5.9840   1.1980   5.2300   1.7150   6.7390   1.6720 -1.509000 2.395000 
1 1 1   12    4   20 o   29.880   0.3398   30.080   0.4780   29.680   0.4831 0.3973000 0.6796000 
1 1 1   12    4   21 o   9.8340   0.9879   8.3280   1.6240   11.340   1.1260 -3.011000 1.976000 
1 1 1   12    4   22 o   13.320   0.8646   12.410   1.3070   14.230   1.1330 -1.825000 1.729000 
1 1 1   12    4   23 o   23.370   0.3604   23.090   0.4961   23.640   0.5230 -0.5435000 0.7209000 
1 1 1   12    4   24 o   6.1060   1.1060   5.6110   1.5980   6.6020   1.5310 -0.9910000 2.213000 
1 1 1   12    4   25 o   11.290   0.6260   10.580   0.9139   12.000   0.8557 -1.427000 1.252000 
1 1 1   12    4   26 o   9.6310   0.7874   10.920   0.9207   8.3400   1.2780 2.583000 1.575000 
1 1 1   12    4   27 o   9.3140   0.8083   10.120   0.9984   8.5040   1.2720 1.619000 1.617000 
1 1 1   12    4   28 o   3.4480   1.0800   3.4990   1.5240   3.3970   1.5300 0.1025000 2.160000 
1 1 1   12    4   29 f   5.5310   1.3100   6.1180   1.7800   4.9450   1.9210 1.173000 2.619000 
1 1 1   12    4   30 o   4.8740   1.3390   4.1960   1.7940   5.5530   1.9880 -1.357000 2.678000 
1 1 1   12    4   31 f   2.8870   0.9859   2.2160   1.1200   3.5590   1.6230 -1.342000 1.972000 
1 1 1   12    4   32 o   3.6650   1.1750   3.7850   1.6870   3.5440   1.6360 0.2405000 2.350000 
1 1 1   12    4   33 o   6.1840   1.5030   5.8640   2.1270   6.5040   2.1260 -0.6391000 3.007000 
1 1 1   12    4   34 o   3.5010   1.2140   3.0130   1.4990   3.9900   1.9100 -0.9768000 2.428000 
1 1 1   12    4   35 o   3.6500   1.1610   4.4020   1.8430   2.8990   1.4140 1.503000 2.323000 
1 1 1   12    6    0 o   53.680   0.4024   53.380   0.5662   53.990   0.5720 -0.6040000 0.8048000 
1 1 1   12    6    1 o   22.990   0.2516   22.960   0.3566   23.020   0.3551 -0.6095000E-01 0.5033000 
1 1 1   12    6    2 o   24.550   0.2360   24.830   0.3019   24.280   0.3627 0.5489000 0.4719000 
1 1 1   12    6    3 o   63.080   0.4056   63.270   0.5753   62.890   0.5718 0.3830000 0.8111000 
1 1 1   12    6    4 o   32.930   0.2787   33.310   0.3964   32.560   0.3918 0.7504000 0.5573000 
1 1 1   12    6    5 o   21.670   0.2524   21.950   0.3553   21.390   0.3586 0.5653000 0.5048000 
1 1 1   12    6    6 o   12.070   0.3092   12.470   0.4186   11.670   0.4553 0.7934000 0.6185000 
1 1 1   12    6    7 o   21.450   0.2809   21.740   0.3874   21.150   0.4069 0.5922000 0.5618000 
1 1 1   12    6    8 o   43.470   0.3005   43.300   0.4227   43.640   0.4272 -0.3357000 0.6009000 
1 1 1   12    6    9 o   65.070   0.4218   65.050   0.5961   65.090   0.5970 -0.4282000E-01 0.8437000 
1 1 1   12    6   10 o   47.520   0.3250   47.800   0.4619   47.240   0.4574 0.5591000 0.6500000 
1 1 1   12    6   11 o   40.170   0.2927   40.160   0.4132   40.180   0.4147 -0.1747000E-01 0.5855000 
1 1 1   12    6   12 o   16.610   0.3303   16.460   0.4606   16.750   0.4735 -0.2936000 0.6605000 
1 1 1   12    6   13 o   85.500   0.5488   85.490   0.7758   85.510   0.7765 -0.2178000E-01 1.098000 
1 1 1   12    6   14 o   54.030   0.3729   54.400   0.5300   53.650   0.5246 0.7566000 0.7458000 
1 1 1   12    6   15 o   36.700   0.3562   36.910   0.4969   36.490   0.5106 0.4159000 0.7125000 
1 1 1   12    6   16 o   6.5060   1.2930   8.2800   1.7270   4.7330   1.9240 3.547000 2.586000 
1 1 1   12    6   17 o   21.560   0.4689   21.500   0.6653   21.620   0.6610 -0.1128000 0.9379000 
1 1 1   12    6   18 o   22.990   0.3896   22.580   0.5341   23.390   0.5674 -0.8115000 0.7792000 
1 1 1   12    6   19 o   23.070   0.3827   22.910   0.5201   23.230   0.5617 -0.3184000 0.7655000 
1 1 1   12    6   20 o   6.8180   1.1400   5.9020   1.6740   7.7350   1.5470 -1.833000 2.280000 
1 1 1   12    6   21 o   7.7510   1.3630   9.3400   1.5940   6.1620   2.2120 3.178000 2.726000 
1 1 1   12    6   22 o   8.4420   1.0920   7.5820   1.5520   9.3030   1.5350 -1.720000 2.183000 
1 1 1   12    6   23 o   14.480   0.5189   14.270   0.6987   14.690   0.7673 -0.4203000 1.038000 
1 1 1   12    6   24 o   9.3130   0.7958   9.5110   1.0140   9.1140   1.2270 0.3965000 1.592000 
1 1 1   12    6   25 o   14.830   0.5196   14.330   0.7081   15.330   0.7607 -0.9927000 1.039000 
1 1 1   12    6   26 o   4.0090   1.1400   4.3060   1.6340   3.7130   1.5890 0.5934000 2.279000 
1 1 1   12    6   27 o   5.2570   1.1700   6.1770   1.5940   4.3370   1.7130 1.840000 2.339000 
1 1 1   12    6   28 o   2.9670   0.9921   2.8580   1.3560   3.0760   1.4480 -0.2183000 1.984000 
1 1 1   12    6   29 o   4.0910   1.2660   4.6810   1.9100   3.5010   1.6610 1.180000 2.531000 
1 1 1   12    6   30 o   5.0210   1.3050   4.4250   1.7700   5.6170   1.9180 -1.192000 2.609000 
1 1 1   12    6   31 f   5.6570   1.1280   8.0760   1.6510   3.2380   1.5380 4.838000 2.256000 
1 1 1   12    6   32 o   4.1370   1.2660   4.2980   1.8040   3.9760   1.7770 0.3215000 2.533000 
1 1 1   12    6   33 o   4.1830   1.3850   4.3600   2.0020   4.0070   1.9160 0.3526000 2.771000 
1 1 1   12    6   34 o   3.4070   1.1290   3.3500   1.5830   3.4640   1.6110 -0.1135000 2.259000 
1 1 1   12    6   35 o   2.7150   0.9482   2.5290   1.2640   2.9010   1.4130 -0.3716000 1.896000 
1 1 1   12    8    0 o   20.700   0.2614   20.510   0.3719   20.890   0.3675 -0.3725000 0.5229000 
1 1 1   12    8    1 o   30.440   0.2734   30.540   0.3877   30.340   0.3856 0.1919000 0.5468000 
1 1 1   12    8    2 o   37.200   0.3392   37.070   0.5227   37.340   0.4323 -0.2720000 0.6783000 
1 1 1   12    8    3 o   47.050   0.3179   47.520   0.4534   46.580   0.4456 0.9384000 0.6357000 
1 1 1   12    8    4 o   27.460   0.2415   27.570   0.3408   27.340   0.3422 0.2348000 0.4829000 
1 1 1   12    8    5 o   24.820   0.2858   25.280   0.4039   24.360   0.4045 0.9224000 0.5716000 
1 1 1   12    8    6 o   64.190   0.4825   65.210   0.6919   63.170   0.6727 2.040000 0.9650000 
1 1 1   12    8    7 o   19.600   0.2674   19.420   0.3744   19.790   0.3818 -0.3763000 0.5348000 
1 1 1   12    8    8 o   56.720   0.3755   57.150   0.5340   56.300   0.5280 0.8468000 0.7509000 
1 1 1   12    8    9 o   55.410   0.3702   55.850   0.5264   54.960   0.5205 0.8932000 0.7403000 
1 1 1   12    8   10 o   51.260   0.3509   51.640   0.4975   50.880   0.4949 0.7539000 0.7017000 
1 1 1   12    8   11 f   53.590   0.3647   53.690   0.5155   53.490   0.5160 0.2000000 0.7294000 
1 1 1   12    8   12 o   84.320   0.5433   84.080   0.7656   84.550   0.7710 -0.4760000 1.087000 
1 1 1   12    8   13 o   31.340   0.3593   31.170   0.5101   31.510   0.5061 -0.3341000 0.7186000 
1 1 1   12    8   14 o   17.740   0.4414   17.890   0.6111   17.580   0.6372 0.3012000 0.8829000 
1 1 1   12    8   15 o   18.130   0.4813   17.670   0.6854   18.600   0.6758 -0.9361000 0.9625000 
1 1 1   12    8   16 o   31.120   0.3924   31.120   0.5605   31.110   0.5494 0.1176000E-01 0.7849000 
1 1 1   12    8   17 o   26.330   0.3608   26.200   0.5012   26.460   0.5190 -0.2562000 0.7215000 
1 1 1   12    8   18 o   16.880   0.4876   16.940   0.6673   16.830   0.7111 0.1086000 0.9751000 
1 1 1   12    8   19 o   28.180   0.3546   28.240   0.4919   28.120   0.5108 0.1232000 0.7091000 
1 1 1   12    8   20 o   17.560   0.5414   16.650   0.7967   18.460   0.7332 -1.810000 1.083000 
1 1 1   12    8   21 o   19.730   0.4968   20.470   0.6237   19.000   0.7735 1.466000 0.9937000 
1 1 1   12    8   22 o   10.670   0.6818   10.920   0.8889   10.420   1.0340 0.5021000 1.364000 
1 1 1   12    8   23 o   13.000   0.5718   13.040   0.7689   12.970   0.8465 0.6799000E-01 1.144000 
1 1 1   12    8   24 o   22.260   0.3823   22.970   0.5188   21.550   0.5615 1.413000 0.7645000 
1 1 1   12    8   25 f   16.820   0.4623   16.940   0.6283   16.700   0.6785 0.2432000 0.9247000 
1 1 1   12    8   26 o   5.4840   1.1810   4.5570   1.6820   6.4110   1.6580 -1.854000 2.362000 
1 1 1   12    8   27 o   3.8790   1.0950   2.6210   1.2710   5.1370   1.7830 -2.516000 2.190000 
1 1 1   12    8   28 o   4.1890   1.2100   3.1120   1.4650   5.2660   1.9260 -2.154000 2.420000 
1 1 1   12    8   29 o   3.7100   1.2240   4.0570   1.8330   3.3620   1.6220 0.6953000 2.447000 
1 1 1   12    8   30 o   7.2150   1.1840   5.5060   1.8430   8.9240   1.4870 -3.418000 2.368000 
1 1 1   12    8   31 o   6.0740   1.3230   5.0230   1.8890   7.1250   1.8520 -2.102000 2.645000 
1 1 1   12    8   32 o   4.0590   1.2510   3.7500   1.6820   4.3690   1.8530 -0.6191000 2.502000 
1 1 1   12    8   33 o   3.9580   1.3280   3.9480   1.8550   3.9690   1.9000 -0.2090000E-01 2.655000 
1 1 1   12    8   34 o   2.6200   0.9206   2.3890   1.2030   2.8520   1.3940 -0.4636000 1.841000 
1 1 1   12    8   35 o   3.0880   1.0470   2.8140   1.3850   3.3630   1.5700 -0.5493000 2.093000 
1 1 1   12   10    0 o   31.910   0.2742   32.280   0.3644   31.530   0.4097 0.7545000 0.5484000 
1 1 1   12   10    1 o   32.910   0.2600   32.750   0.3667   33.070   0.3688 -0.3205000 0.5200000 
1 1 1   12   10    2 o   20.250   0.3083   20.230   0.4338   20.280   0.4382 -0.4204000E-01 0.6166000 
1 1 1   12   10    3 o   52.830   0.4086   53.210   0.5790   52.450   0.5766 0.7580000 0.8172000 
1 1 1   12   10    4 o   41.260   0.3806   40.960   0.5823   41.550   0.4903 -0.5830000 0.7613000 
1 1 1   12   10    5 f   3.8780   0.9668   3.7170   1.3560   4.0380   1.3780 -0.3208000 1.934000 
1 1 1   12   10    6 o   31.580   0.2694   31.610   0.3782   31.560   0.3837 0.5075000E-01 0.5387000 
1 1 1   12   10    7 o   53.350   0.3611   53.290   0.5098   53.420   0.5115 -0.1310000 0.7221000 
1 1 1   12   10    8 o   22.380   0.3204   21.930   0.4079   22.840   0.4942 -0.9110000 0.6408000 
1 1 1   12   10    9 o   89.890   0.5759   90.020   0.8151   89.760   0.8137 0.2648000 1.152000 
1 1 1   12   10   10 f   43.640   0.3237   44.080   0.4583   43.200   0.4574 0.8783000 0.6475000 
1 1 1   12   10   11 o   40.640   0.3158   40.980   0.4459   40.290   0.4473 0.6906000 0.6315000 
1 1 1   12   10   12 o   38.990   0.3427   38.560   0.5117   39.420   0.4561 -0.8527000 0.6855000 
1 1 1   12   10   13 o   19.010   0.4424   19.200   0.6102   18.830   0.6407 0.3745000 0.8848000 
1 1 1   12   10   14 o   47.470   0.4096   47.120   0.5725   47.810   0.5859 -0.6891000 0.8192000 
1 1 1   12   10   15 o   11.440   0.8756   11.700   1.2400   11.190   1.2370 0.5103000 1.751000 
1 1 1   12   10   16 o   31.430   0.3483   31.960   0.4839   30.900   0.5012 1.055000 0.6967000 
1 1 1   12   10   17 o   22.010   0.4053   21.930   0.5603   22.090   0.5859 -0.1611000 0.8107000 
1 1 1   12   10   18 o   28.830   0.3625   28.090   0.5186   29.570   0.5066 -1.478000 0.7250000 
1 1 1   12   10   19 o   12.700   0.7469   12.770   1.0820   12.640   1.0300 0.1362000 1.494000 
1 1 1   12   10   20 o   17.240   0.5570   17.470   0.7083   17.010   0.8599 0.4592000 1.114000 
1 1 1   12   10   21 o   3.5720   1.0680   4.2100   1.6270   2.9340   1.3850 1.276000 2.137000 
1 1 1   12   10   22 f   4.2230   1.1010   5.3190   1.6560   3.1270   1.4490 2.192000 2.201000 
1 1 1   12   10   23 o   5.1360   1.1860   4.9100   1.6190   5.3610   1.7350 -0.4508000 2.373000 
1 1 1   12   10   24 f   3.4500   1.0540   2.6210   1.2600   4.2800   1.6910 -1.659000 2.109000 
1 1 1   12   10   25 o   14.060   0.5460   13.740   0.7608   14.370   0.7833 -0.6242000 1.092000 
1 1 1   12   10   26 o   14.080   0.5640   14.070   0.7807   14.080   0.8142 -0.1732000E-01 1.128000 
1 1 1   12   10   27 o   12.500   0.6596   13.580   0.8044   11.430   1.0460 2.155000 1.319000 
1 1 1   12   10   28 o   7.8700   1.3790   6.0220   2.0790   9.7180   1.8120 -3.695000 2.758000 
1 1 1   12   10   29 o   7.7070   1.1810   7.2700   1.7180   8.1440   1.6200 -0.8734000 2.362000 
1 1 1   12   10   30 o   5.8860   1.3070   4.4820   1.8200   7.2890   1.8770 -2.806000 2.614000 
1 1 1   12   10   31 o   4.9900   1.3430   4.0810   1.7590   5.8980   2.0310 -1.817000 2.687000 
1 1 1   12   10   32 o   4.2040   1.3710   4.9160   2.1260   3.4920   1.7310 1.424000 2.742000 
1 1 1   12   10   33 o   3.3820   1.1440   3.7180   1.7290   3.0450   1.5000 0.6727000 2.289000 
1 1 1   12   10   34 o   2.6080   0.9189   2.8300   1.3900   2.3860   1.2020 0.4442000 1.838000 
1 1 1   12   12    0 o   38.860   0.3160   39.000   0.4794   38.710   0.4118 0.2927000 0.6320000 
1 1 1   12   12    1 f   47.180   0.3562   46.520   0.4591   47.830   0.5446 -1.305000 0.7123000 
1 1 1   12   12    2 f   7.4100   0.7819   7.9070   0.9461   6.9130   1.2450 0.9937000 1.564000 
1 1 1   12   12    3 o   84.220   0.5402   84.140   0.7634   84.290   0.7646 -0.1512000 1.080000 
1 1 1   12   12    4 o   42.320   0.3119   42.440   0.4388   42.200   0.4435 0.2434000 0.6239000 
1 1 1   12   12    5 o   23.970   0.2950   24.050   0.4110   23.880   0.4231 0.1656000 0.5899000 
1 1 1   12   12    6 o   31.750   0.2906   31.760   0.4116   31.730   0.4104 0.2453000E-01 0.5812000 
1 1 1   12   12    7 o   30.720   0.3165   31.420   0.4706   30.020   0.4233 1.400000 0.6329000 
1 1 1   12   12    8 o   58.870   0.3996   59.420   0.5695   58.320   0.5608 1.106000 0.7993000 
1 1 1   12   12    9 o   53.090   0.3725   53.090   0.5251   53.090   0.5284 -0.3422000E-02 0.7450000 
1 1 1   12   12   10 o   14.250   0.5045   15.320   0.6328   13.180   0.7860 2.145000 1.009000 
1 1 1   12   12   11 o   49.340   0.4085   49.330   0.5734   49.350   0.5820 -0.2186000E-01 0.8170000 
1 1 1   12   12   12 o   18.280   0.4905   18.130   0.6758   18.420   0.7110 -0.2970000 0.9810000 
1 1 1   12   12   13 o   49.570   0.4378   49.630   0.6207   49.510   0.6177 0.1202000 0.8757000 
1 1 1   12   12   14 o   33.470   0.4168   33.730   0.5846   33.220   0.5943 0.5044000 0.8336000 
1 1 1   12   12   15 o   44.310   0.3610   44.480   0.5082   44.140   0.5128 0.3411000 0.7220000 
1 1 1   12   12   16 o   12.170   0.6861   12.360   0.9209   11.980   1.0170 0.3749000 1.372000 
1 1 1   12   12   17 o   27.900   0.3748   27.650   0.5266   28.150   0.5334 -0.4980000 0.7496000 
1 1 1   12   12   18 o   20.150   0.5014   20.230   0.7117   20.070   0.7064 0.1556000 1.003000 
1 1 1   12   12   19 f   14.940   0.6408   15.070   0.8421   14.800   0.9660 0.2730000 1.282000 
1 1 1   12   12   20 o   9.6650   0.7707   9.1220   1.1030   10.210   1.0760 -1.087000 1.541000 
1 1 1   12   12   21 o   3.9220   1.1010   3.0000   1.3810   4.8440   1.7150 -1.843000 2.202000 
1 1 1   12   12   22 o   13.430   0.5662   13.210   0.7716   13.650   0.8289 -0.4430000 1.132000 
1 1 1   12   12   23 o   13.340   0.5734   13.540   0.7610   13.150   0.8580 0.3854000 1.147000 
1 1 1   12   12   24 o   3.0970   1.0090   2.7400   1.3020   3.4550   1.5430 -0.7150000 2.019000 
1 1 1   12   12   25 o   7.6430   1.0620   9.1410   1.1790   6.1450   1.7660 2.996000 2.123000 
1 1 1   12   12   26 o   3.5850   1.1240   3.4730   1.5450   3.6970   1.6320 -0.2233000 2.247000 
1 1 1   12   12   27 o   5.1990   1.4120   6.2470   2.1280   4.1510   1.8570 2.096000 2.825000 
1 1 1   12   12   28 o   4.4890   1.3270   4.6140   1.8760   4.3640   1.8770 0.2501000 2.654000 
1 1 1   12   12   29 o   3.5200   1.1360   4.0630   1.7500   2.9780   1.4480 1.085000 2.272000 
1 1 1   12   12   30 o   3.8590   1.2140   4.1240   1.7670   3.5930   1.6640 0.5313000 2.427000 
1 1 1   12   12   31 o   5.8920   1.4520   7.0980   2.0950   4.6850   2.0110 2.412000 2.904000 
1 1 1   12   12   32 o   5.0530   1.4370   5.2680   2.0200   4.8370   2.0450 0.4309000 2.875000 
1 1 1   12   12   33 o   2.5600   0.9026   2.4640   1.2360   2.6560   1.3160 -0.1914000 1.805000 
1 1 1   12   14    0 o  119.100   0.7556  119.400   1.0710  118.900   1.0660 0.5727000 1.511000 
1 1 1   12   14    1 o   62.950   0.4185   63.350   0.5946   62.560   0.5890 0.7875000 0.8369000 
1 1 1   12   14    2 o   29.730   0.2985   30.090   0.4235   29.370   0.4207 0.7196000 0.5969000 
1 1 1   12   14    3 o   70.650   0.4633   70.690   0.6544   70.600   0.6561 0.8727000E-01 0.9267000 
1 1 1   12   14    4 o   41.050   0.3227   42.010   0.4574   40.090   0.4553 1.913000 0.6453000 
1 1 1   12   14    5 o   40.800   0.3231   40.880   0.4519   40.730   0.4620 0.1551000 0.6462000 
1 1 1   12   14    6 o   31.740   0.3163   31.650   0.4381   31.820   0.4564 -0.1667000 0.6326000 
1 1 1   12   14    7 o   14.650   0.5189   14.830   0.7072   14.470   0.7594 0.3580000 1.038000 
1 1 1   12   14    8 o   27.470   0.3893   27.450   0.5390   27.490   0.5619 -0.4439000E-01 0.7787000 
1 1 1   12   14    9 o   48.410   0.4143   48.390   0.5831   48.420   0.5887 -0.3645000E-01 0.8286000 
1 1 1   12   14   10 o   39.420   0.3817   38.900   0.4873   39.940   0.5877 -1.043000 0.7635000 
1 1 1   12   14   11 o   33.260   0.4276   34.050   0.6101   32.480   0.5992 1.567000 0.8552000 
1 1 1   12   14   12 o   54.200   0.4658   54.520   0.6627   53.890   0.6547 0.6279000 0.9315000 
1 1 1   12   14   13 o   19.360   0.4712   19.850   0.6366   18.880   0.6948 0.9732000 0.9423000 
1 1 1   12   14   14 o   3.5230   1.1140   3.1160   1.4520   3.9300   1.6890 -0.8130000 2.227000 
1 1 1   12   14   15 o   19.460   0.4633   19.350   0.6486   19.580   0.6617 -0.2324000 0.9265000 
1 1 1   12   14   16 f   31.160   0.4070   31.240   0.5787   31.080   0.5726 0.1581000 0.8141000 
1 1 1   12   14   17 o   19.420   0.4811   19.900   0.6243   18.930   0.7320 0.9710000 0.9621000 
1 1 1   12   14   18 o   20.670   0.5217   21.270   0.6908   20.080   0.7821 1.193000 1.043000 
1 1 1   12   14   19 o   8.1430   0.9758   8.4420   1.2740   7.8440   1.4780 0.5978000 1.952000 
1 1 1   12   14   20 o   13.660   0.5655   13.190   0.8115   14.140   0.7879 -0.9495000 1.131000 
1 1 1   12   14   21 o   7.1190   1.0870   7.3840   1.4260   6.8540   1.6410 0.5305000 2.174000 
1 1 1   12   14   22 o   7.6490   1.0190   7.6040   1.3840   7.6930   1.4970 -0.8937000E-01 2.039000 
1 1 1   12   14   23 o   12.030   0.6443   11.950   0.8817   12.120   0.9397 -0.1644000 1.289000 
1 1 1   12   14   24 o   6.0610   1.1290   7.6730   1.4340   4.4480   1.7440 3.225000 2.258000 
1 1 1   12   14   25 o   7.8310   1.0800   7.0150   1.6130   8.6480   1.4370 -1.633000 2.161000 
1 1 1   12   14   26 o   3.0550   1.0420   3.2490   1.5260   2.8610   1.4190 0.3877000 2.084000 
1 1 1   12   14   27 f   4.5070   1.3380   4.1190   1.8120   4.8960   1.9690 -0.7771000 2.675000 
1 1 1   12   14   28 o   4.0190   1.2280   4.4090   1.8080   3.6290   1.6610 0.7799000 2.455000 
1 1 1   12   14   29 o   4.4920   1.2920   3.7870   1.6950   5.1980   1.9500 -1.411000 2.584000 
1 1 1   12   14   30 o   6.2960   1.4420   5.0170   2.0290   7.5750   2.0490 -2.558000 2.883000 
1 1 1   12   14   31 o   4.2140   1.3900   4.0950   1.9090   4.3340   2.0200 -0.2397000 2.780000 
1 1 1   12   14   32 o   4.8560   1.2610   6.2430   1.9400   3.4690   1.6100 2.774000 2.521000 
1 1 1   12   14   33 o   2.0070   0.7351   1.8430   0.9527   2.1710   1.1200 -0.3279000 1.470000 
1 1 1   12   16    0 o   51.450   0.4238   51.470   0.6004   51.430   0.5981 0.4010000E-01 0.8475000 
1 1 1   12   16    1 o   28.390   0.3808   28.140   0.5442   28.640   0.5329 -0.4935000 0.7616000 
1 1 1   12   16    2 o   38.670   0.3775   38.270   0.5355   39.070   0.5321 -0.8085000 0.7549000 
1 1 1   12   16    3 o   13.490   0.6825   12.940   0.9808   14.030   0.9493 -1.084000 1.365000 
1 1 1   12   16    4 o   37.540   0.3854   37.890   0.5398   37.190   0.5502 0.7057000 0.7708000 
1 1 1   12   16    5 o   39.200   0.3942   39.720   0.5526   38.670   0.5625 1.047000 0.7885000 
1 1 1   12   16    6 o   59.470   0.4175   59.500   0.5867   59.430   0.5940 0.6608000E-01 0.8349000 
1 1 1   12   16    7 o   45.450   0.3625   45.370   0.5051   45.530   0.5203 -0.1653000 0.7251000 
1 1 1   12   16    8 o   46.450   0.3954   46.830   0.5905   46.080   0.5260 0.7506000 0.7908000 
1 1 1   12   16    9 o   29.540   0.4574   29.560   0.6577   29.510   0.6359 0.5260000E-01 0.9149000 
1 1 1   12   16   10 o   28.050   0.4757   28.300   0.6782   27.790   0.6673 0.5118000 0.9515000 
1 1 1   12   16   11 o   40.060   0.3612   40.140   0.5053   39.980   0.5162 0.1608000 0.7223000 
1 1 1   12   16   12 o   14.370   0.6292   14.450   0.8781   14.300   0.9013 0.1536000 1.258000 
1 1 1   12   16   13 o   12.890   0.6947   13.990   0.8572   11.780   1.0930 2.213000 1.389000 
1 1 1   12   16   14 o   22.140   0.4841   22.010   0.6806   22.270   0.6888 -0.2671000 0.9683000 
1 1 1   12   16   15 o   18.450   0.5132   17.990   0.6748   18.900   0.7734 -0.9060000 1.026000 
1 1 1   12   16   16 o   6.2170   1.3500   5.1210   1.8630   7.3130   1.9550 -2.192000 2.700000 
1 1 1   12   16   17 o   27.070   0.4163   27.430   0.5598   26.700   0.6163 0.7244000 0.8325000 
1 1 1   12   16   18 o   12.950   0.6144   13.450   0.8223   12.450   0.9131 1.002000 1.229000 
1 1 1   12   16   19 o   14.430   0.5898   14.250   0.7691   14.610   0.8945 -0.3573000 1.180000 
1 1 1   12   16   20 o   5.6180   1.2270   5.5290   1.6940   5.7060   1.7760 -0.1774000 2.454000 
1 1 1   12   16   21 o   8.5730   0.9502   8.0340   1.3830   9.1120   1.3030 -1.078000 1.900000 
1 1 1   12   16   22 o   5.6140   1.3120   5.7550   1.7200   5.4730   1.9810 0.2822000 2.623000 
1 1 1   12   16   23 o   13.590   0.6207   12.750   0.8905   14.440   0.8650 -1.689000 1.241000 
1 1 1   12   16   24 o   8.6030   1.0730   7.6850   1.5900   9.5210   1.4420 -1.836000 2.147000 
1 1 1   12   16   25 o   7.6510   1.4940   7.4680   2.0720   7.8350   2.1530 -0.3679000 2.988000 
1 1 1   12   16   26 o   8.9130   1.2180   8.6810   1.7240   9.1460   1.7220 -0.4657000 2.437000 
1 1 1   12   16   27 o   4.4120   1.2270   5.5040   1.8890   3.3200   1.5660 2.184000 2.453000 
1 1 1   12   16   28 o   4.2510   1.2580   3.5360   1.6260   4.9660   1.9200 -1.430000 2.516000 
1 1 1   12   16   29 o   5.0890   1.4460   5.6960   2.1240   4.4820   1.9640 1.213000 2.893000 
1 1 1   12   16   30 o   4.2010   1.3860   4.4120   2.0080   3.9900   1.9120 0.4224000 2.773000 
1 1 1   12   16   31 o   2.6820   0.9371   2.4830   1.2430   2.8810   1.4030 -0.3975000 1.874000 
1 1 1   12   16   32 o   2.4220   0.8815   2.5440   1.2980   2.3000   1.1930 0.2441000 1.763000 
1 1 1   12   18    0 o   22.700   0.4190   22.720   0.5922   22.680   0.5928 0.4023000E-01 0.8379000 
1 1 1   12   18    1 o   31.120   0.3559   30.970   0.5044   31.260   0.5022 -0.2889000 0.7118000 
1 1 1   12   18    2 o   36.090   0.3514   36.480   0.4965   35.690   0.4973 0.7920000 0.7027000 
1 1 1   12   18    3 o   31.050   0.3681   31.530   0.5129   30.570   0.5283 0.9604000 0.7363000 
1 1 1   12   18    4 o   47.380   0.4069   46.840   0.5219   47.920   0.6243 -1.082000 0.8138000 
1 1 1   12   18    5 o   33.060   0.4364   33.360   0.6132   32.750   0.6211 0.6067000 0.8728000 
1 1 1   12   18    6 o   33.320   0.4349   33.400   0.6059   33.250   0.6240 0.1584000 0.8698000 
1 1 1   12   18    7 o   12.180   0.9335   12.480   1.2480   11.870   1.3890 0.6169000 1.867000 
1 1 1   12   18    8 o   7.2500   1.2170   6.0160   1.8380   8.4850   1.5950 -2.469000 2.434000 
1 1 1   12   18    9 o   13.230   0.6813   14.050   0.8567   12.400   1.0600 1.647000 1.363000 
1 1 1   12   18   10 o   16.140   0.6113   16.670   0.8631   15.620   0.8659 1.045000 1.223000 
1 1 1   12   18   11 o   15.770   0.6617   16.800   0.8793   14.740   0.9890 2.058000 1.323000 
1 1 1   12   18   12 o   12.120   0.7891   11.070   1.1950   13.170   1.0310 -2.107000 1.578000 
1 1 1   12   18   13 o   21.980   0.4249   22.160   0.5838   21.800   0.6175 0.3609000 0.8497000 
1 1 1   12   18   14 o   14.070   0.7091   13.630   0.9659   14.500   1.0380 -0.8742000 1.418000 
1 1 1   12   18   15 o   11.600   0.8315   11.700   1.0580   11.500   1.2830 0.2015000 1.663000 
1 1 1   12   18   16 o   7.1210   1.1200   6.5550   1.6590   7.6870   1.5050 -1.132000 2.240000 
1 1 1   12   18   17 o   22.690   0.3956   22.660   0.5529   22.720   0.5661 -0.6612000E-01 0.7913000 
1 1 1   12   18   18 o   5.3280   1.2120   4.3200   1.6790   6.3360   1.7480 -2.016000 2.423000 
1 1 1   12   18   19 o   4.9260   1.2120   3.8930   1.6310   5.9590   1.7930 -2.067000 2.423000 
1 1 1   12   18   20 o   9.6850   0.8529   8.8990   1.2850   10.470   1.1210 -1.571000 1.706000 
1 1 1   12   18   21 o   3.5960   1.1180   2.9620   1.4060   4.2300   1.7390 -1.268000 2.236000 
1 1 1   12   18   22 o   8.7690   1.0030   9.5950   1.2380   7.9430   1.5780 1.652000 2.006000 
1 1 1   12   18   23 o   5.0690   1.3370   4.9600   1.8590   5.1780   1.9230 -0.2184000 2.675000 
1 1 1   12   18   24 o   3.9890   1.2280   4.7180   1.9000   3.2600   1.5560 1.458000 2.455000 
1 1 1   12   18   25 o   7.9700   1.3020   6.3670   2.1110   9.5730   1.5240 -3.206000 2.604000 
1 1 1   12   18   26 o   10.690   0.9020   10.190   1.3100   11.190   1.2410 -1.006000 1.804000 
1 1 1   12   18   27 o   3.5280   1.1440   2.8240   1.3870   4.2320   1.8210 -1.408000 2.289000 
1 1 1   12   18   28 o   2.8580   1.0080   2.6020   1.3120   3.1140   1.5310 -0.5123000 2.016000 
1 1 1   12   18   29 o   3.9960   1.2700   4.7900   1.9980   3.2020   1.5670 1.587000 2.540000 
1 1 1   12   18   30 o   2.7960   0.9707   2.6110   1.2970   2.9800   1.4450 -0.3696000 1.941000 
1 1 1   12   20    0 o   14.440   0.7220   14.350   1.0430   14.530   0.9989 -0.1787000 1.444000 
1 1 1   12   20    1 o   17.090   0.6151   16.870   0.8940   17.300   0.8450 -0.4324000 1.230000 
1 1 1   12   20    2 f   32.330   0.3600   32.160   0.5075   32.500   0.5106 -0.3361000 0.7200000 
1 1 1   12   20    3 o   48.910   0.3785   49.050   0.5312   48.780   0.5393 0.2656000 0.7570000 
1 1 1   12   20    4 o   33.200   0.3611   33.700   0.4996   32.690   0.5215 1.007000 0.7222000 
1 1 1   12   20    5 f   28.050   0.4295   28.560   0.6029   27.550   0.6119 1.006000 0.8590000 
1 1 1   12   20    6 o   26.860   0.4354   27.250   0.6038   26.460   0.6274 0.7909000 0.8708000 
1 1 1   12   20    7 o   29.590   0.4207   29.930   0.5856   29.240   0.6042 0.6855000 0.8414000 
1 1 1   12   20    8 o   13.260   0.7402   13.490   1.0070   13.020   1.0850 0.4716000 1.480000 
1 1 1   12   20    9 o   7.2020   1.1520   8.6450   1.3660   5.7600   1.8560 2.885000 2.305000 
1 1 1   12   20   10 o   6.0900   1.2470   6.5560   1.6620   5.6230   1.8600 0.9327000 2.495000 
1 1 1   12   20   11 o   27.950   0.4171   28.110   0.5469   27.790   0.6299 0.3217000 0.8342000 
1 1 1   12   20   12 o   16.780   0.6196   17.780   0.7708   15.780   0.9704 2.000000 1.239000 
1 1 1   12   20   13 o   4.6690   1.2540   4.7480   1.7660   4.5900   1.7820 0.1580000 2.509000 
1 1 1   12   20   14 o   12.870   0.6485   12.760   0.9011   12.970   0.9330 -0.2111000 1.297000 
1 1 1   12   20   15 o   5.1290   1.2240   6.4430   1.7410   3.8150   1.7220 2.628000 2.449000 
1 1 1   12   20   16 o   12.930   0.6377   12.380   0.9331   13.470   0.8695 -1.091000 1.275000 
1 1 1   12   20   17 o   13.640   0.6215   14.290   0.8462   12.990   0.9104 1.305000 1.243000 
1 1 1   12   20   18 o   11.570   0.7240   11.680   1.0010   11.470   1.0460 0.2118000 1.448000 
1 1 1   12   20   19 o   10.170   0.8397   10.120   1.1960   10.210   1.1790 -0.9317000E-01 1.679000 
1 1 1   12   20   20 o   15.510   0.5806   16.200   0.7760   14.830   0.8640 1.368000 1.161000 
1 1 1   12   20   21 o   3.3550   1.1150   3.4040   1.5830   3.3060   1.5700 0.9797000E-01 2.230000 
1 1 1   12   20   22 o   6.5080   1.4210   6.4580   1.9280   6.5580   2.0880 -0.9931000E-01 2.842000 
1 1 1   12   20   23 o   5.7890   1.4770   5.3070   2.0300   6.2710   2.1450 -0.9646000 2.953000 
1 1 1   12   20   24 o   4.1040   1.1580   5.6040   1.9170   2.6030   1.2990 3.002000 2.315000 
1 1 1   12   20   25 o   5.1910   1.3300   4.0120   1.7570   6.3700   1.9970 -2.358000 2.659000 
1 1 1   12   20   26 o   5.9790   1.3210   8.1740   1.9660   3.7840   1.7640 4.390000 2.641000 
1 1 1   12   20   27 o   4.3040   1.3200   5.1170   2.0440   3.4920   1.6700 1.626000 2.640000 
1 1 1   12   20   28 o   3.8090   1.2370   3.7440   1.7170   3.8740   1.7800 -0.1298000 2.473000 
1 1 1   12   20   29 o   2.7120   0.9421   2.4550   1.2270   2.9700   1.4300 -0.5143000 1.884000 
1 1 1   12   22    0 o   11.800   0.7058   11.770   0.9866   11.830   1.0100 -0.5315000E-01 1.412000 
1 1 1   12   22    1 o   6.2700   1.2250   6.8930   1.6630   5.6480   1.8000 1.246000 2.451000 
1 1 1   12   22    2 o   27.980   0.3619   27.530   0.5111   28.430   0.5126 -0.8936000 0.7239000 
1 1 1   12   22    3 o   32.420   0.3784   32.140   0.4882   32.700   0.5784 -0.5628000 0.7569000 
1 1 1   12   22    4 o   32.430   0.3545   32.950   0.4859   31.910   0.5163 1.044000 0.7090000 
1 1 1   12   22    5 o   11.120   0.7546   11.880   0.9396   10.360   1.1810 1.524000 1.509000 
1 1 1   12   22    6 o   18.840   0.4627   19.030   0.6260   18.650   0.6816 0.3847000 0.9255000 
1 1 1   12   22    7 o   11.030   0.7568   11.070   1.0140   11.000   1.1240 0.6777000E-01 1.514000 
1 1 1   12   22    8 o   7.4210   1.2250   5.5690   1.8440   9.2740   1.6120 -3.706000 2.449000 
1 1 1   12   22    9 o   4.3330   1.2820   4.1870   1.7390   4.4780   1.8830 -0.2908000 2.564000 
1 1 1   12   22   10 f   10.520   0.7819   10.430   1.0700   10.610   1.1400 -0.1872000 1.564000 
1 1 1   12   22   11 o   19.550   0.4471   19.760   0.6092   19.340   0.6546 0.4128000 0.8943000 
1 1 1   12   22   12 o   16.480   0.5174   16.920   0.6829   16.030   0.7775 0.8856000 1.035000 
1 1 1   12   22   13 o   20.810   0.4600   21.250   0.6565   20.360   0.6447 0.8898000 0.9201000 
1 1 1   12   22   14 o   7.1170   1.1970   6.8730   1.6860   7.3610   1.6990 -0.4881000 2.394000 
1 1 1   12   22   15 o   6.7420   1.2090   5.4290   1.8140   8.0560   1.6000 -2.628000 2.418000 
1 1 1   12   22   16 o   6.8030   1.2110   7.7000   1.5650   5.9050   1.8480 1.795000 2.421000 
1 1 1   12   22   17 o   4.5200   1.2320   3.6790   1.6150   5.3610   1.8620 -1.682000 2.465000 
1 1 1   12   22   18 o   3.5370   1.1160   4.1110   1.7170   2.9630   1.4240 1.147000 2.231000 
1 1 1   12   22   19 o   4.3010   1.2760   4.8610   1.8970   3.7420   1.7070 1.120000 2.551000 
1 1 1   12   22   20 o   4.5760   1.3050   4.3550   1.8140   4.7960   1.8750 -0.4402000 2.609000 
1 1 1   12   22   21 o   10.850   1.1260   11.420   1.5160   10.290   1.6660 1.136000 2.252000 
1 1 1   12   22   22 o   5.9290   1.2860   4.2730   1.7930   7.5860   1.8430 -3.314000 2.572000 
1 1 1   12   22   23 o   3.8400   1.2180   3.8110   1.7060   3.8680   1.7370 -0.5761000E-01 2.435000 
1 1 1   12   22   24 o   3.5180   1.1570   3.4150   1.6000   3.6220   1.6710 -0.2072000 2.313000 
1 1 1   12   22   25 o   3.1470   1.0810   3.7180   1.7280   2.5760   1.3010 1.141000 2.163000 
1 1 1   12   22   26 o   3.0150   1.0520   2.9120   1.4400   3.1190   1.5350 -0.2070000 2.105000 
1 1 1   12   22   27 o   5.1660   1.2910   6.2050   1.8760   4.1280   1.7730 2.076000 2.581000 
1 1 1   12   24    0 o   22.990   0.4993   23.310   0.7661   22.670   0.6404 0.6373000 0.9985000 
1 1 1   12   24    1 o   8.9830   1.1640   9.9310   1.6460   8.0360   1.6460 1.895000 2.328000 
1 1 1   12   24    2 o   6.5510   1.4100   6.6890   2.1060   6.4130   1.8740 0.2763000 2.819000 
1 1 1   12   24    3 o   22.400   0.5338   22.580   0.7892   22.230   0.7190 0.3532000 1.068000 
1 1 1   12   24    4 o   14.980   0.7489   14.730   1.1220   15.230   0.9918 -0.5040000 1.498000 
1 1 1   12   24    5 o   19.020   0.5585   19.490   0.8595   18.550   0.7134 0.9318000 1.117000 
1 1 1   12   24    6 o   5.4030   1.3300   5.0790   1.9120   5.7270   1.8500 -0.6478000 2.660000 
1 1 1   12   24    7 f   14.420   0.5916   14.660   0.8015   14.180   0.8703 0.4798000 1.183000 
1 1 1   12   24    8 o   17.030   0.5155   17.140   0.6986   16.910   0.7581 0.2294000 1.031000 
1 1 1   12   24    9 o   10.080   0.8695   10.730   1.0760   9.4260   1.3660 1.308000 1.739000 
1 1 1   12   24   10 o   21.690   0.4340   21.080   0.5956   22.290   0.6314 -1.217000 0.8680000 
1 1 1   12   24   11 o   19.730   0.4688   19.320   0.6355   20.150   0.6893 -0.8339000 0.9376000 
1 1 1   12   24   12 o   10.920   0.8055   11.630   1.0010   10.210   1.2620 1.412000 1.611000 
1 1 1   12   24   13 o   8.3240   1.0900   10.020   1.1570   6.6310   1.8470 3.386000 2.179000 
1 1 1   12   24   14 o   8.5490   1.0660   9.8260   1.1820   7.2710   1.7750 2.555000 2.133000 
1 1 1   12   24   15 o   7.9730   1.1320   9.2580   1.3300   6.6880   1.8330 2.571000 2.265000 
1 1 1   12   24   16 o   4.9640   1.3580   5.1750   1.9100   4.7530   1.9310 0.4219000 2.716000 
1 1 1   12   24   17 o   2.8610   0.9930   2.4270   1.2230   3.2940   1.5650 -0.8668000 1.986000 
1 1 1   12   24   18 o   4.8070   1.3570   4.5580   1.9180   5.0560   1.9190 -0.4984000 2.714000 
1 1 1   12   24   19 o   4.7170   1.4280   4.7340   2.0340   4.7000   2.0050 0.3365000E-01 2.856000 
1 1 1   12   24   20 o   6.0100   1.3880   6.8570   1.9330   5.1640   1.9910 1.692000 2.775000 
1 1 1   12   24   21 o   3.3800   1.1210   3.8790   1.7360   2.8800   1.4170 0.9989000 2.241000 
1 1 1   12   24   22 o   4.9680   1.3400   5.8560   1.9950   4.0800   1.7890 1.776000 2.680000 
1 1 1   12   24   23 o   5.0040   1.4430   4.3920   1.9350   5.6170   2.1400 -1.225000 2.885000 
1 1 1   12   24   24 o   2.9160   1.0230   2.5230   1.2720   3.3100   1.6030 -0.7872000 2.046000 
1 1 1   12   24   25 o   2.6800   0.9488   2.7620   1.3740   2.5980   1.3090 0.1640000 1.898000 
1 1 1   12   24   26 o   2.1480   0.7897   2.1190   1.1020   2.1780   1.1320 -0.5924000E-01 1.579000 
1 1 1   12   26    0 o   22.870   0.3950   22.050   0.5737   23.690   0.5432 -1.635000 0.7901000 
1 1 1   12   26    1 o   3.8790   1.1610   3.6250   1.5930   4.1330   1.6890 -0.5075000 2.321000 
1 1 1   12   26    2 o   11.280   0.7255   11.130   1.0420   11.430   1.0100 -0.2988000 1.451000 
1 1 1   12   26    3 o   17.070   0.5189   17.340   0.7025   16.790   0.7639 0.5499000 1.038000 
1 1 1   12   26    4 f   12.750   0.7005   13.670   0.8750   11.830   1.0940 1.837000 1.401000 
1 1 1   12   26    5 o   14.800   0.5906   15.060   0.7872   14.530   0.8805 0.5358000 1.181000 
1 1 1   12   26    6 o   14.520   0.6089   14.520   0.8222   14.520   0.8983 -0.4110000E-02 1.218000 
1 1 1   12   26    7 o   16.320   0.5357   16.300   0.7337   16.340   0.7808 -0.4222000E-01 1.071000 
1 1 1   12   26    8 o   7.2390   1.2290   6.1340   1.8990   8.3450   1.5620 -2.211000 2.458000 
1 1 1   12   26    9 o   16.100   0.6817   17.490   1.0300   14.710   0.8931 2.775000 1.363000 
1 1 1   12   26   10 o   7.6320   1.3620   7.9660   2.0860   7.2980   1.7520 0.6676000 2.724000 
1 1 1   12   26   11 o   3.3550   1.1200   3.0250   1.5020   3.6840   1.6630 -0.6591000 2.241000 
1 1 1   12   26   12 o   3.4770   1.2150   3.9720   1.9440   2.9820   1.4590 0.9901000 2.430000 
1 1 1   12   26   13 o   6.5200   1.6280   6.3150   2.5500   6.7250   2.0250 -0.4101000 3.256000 
1 1 1   12   26   14 o   4.5650   1.3440   4.1170   1.9100   5.0140   1.8910 -0.8976000 2.687000 
1 1 1   12   26   15 o   6.8100   1.4440   6.0620   2.2720   7.5590   1.7830 -1.497000 2.888000 
1 1 1   12   26   16 o   9.0380   1.3200   12.650   1.5640   5.4290   2.1270 7.218000 2.641000 
1 1 1   12   26   17 f   8.5400   1.7360   8.4370   2.7720   8.6420   2.0900 -0.2049000 3.472000 
1 1 1   12   26   18 o   4.8030   1.3980   4.1470   1.9490   5.4600   2.0060 -1.314000 2.797000 
1 1 1   12   26   19 o   4.0140   1.3140   4.6450   2.0840   3.3840   1.6000 1.261000 2.627000 
1 1 1   12   26   20 o   3.8060   1.2720   3.2800   1.6720   4.3320   1.9160 -1.052000 2.543000 
1 1 1   12   26   21 o   3.1030   1.1260   3.6000   1.8180   2.6060   1.3270 0.9938000 2.251000 
1 1 1   12   26   22 o   3.3330   1.1430   3.0580   1.5310   3.6070   1.6970 -0.5490000 2.286000 
1 1 1   12   26   23 o   2.9920   1.0430   2.7300   1.3810   3.2530   1.5640 -0.5224000 2.087000 
1 1 1   12   28    0 o   3.7000   1.1000   2.5600   1.2620   4.8400   1.8030 -2.280000 2.201000 
1 1 1   12   28    1 o   9.5420   0.9146   9.2970   1.2990   9.7880   1.2880 -0.4910000 1.829000 
1 1 1   12   28    2 o   10.990   0.8008   10.920   1.1180   11.060   1.1460 -0.1417000 1.602000 
1 1 1   12   28    3 o   15.490   0.6592   13.790   0.8983   17.180   0.9651 -3.393000 1.318000 
1 1 1   12   28    4 o   8.7820   1.2360   9.5280   1.5420   8.0370   1.9330 1.491000 2.472000 
1 1 1   12   28    5 o   4.2330   1.3010   4.1550   1.8090   4.3120   1.8690 -0.1571000 2.601000 
1 1 1   12   28    6 o   8.0530   1.3130   8.0410   1.7910   8.0650   1.9200 -0.2412000E-01 2.626000 
1 1 1   12   28    7 o   4.5700   1.3500   4.4460   1.8680   4.6940   1.9500 -0.2478000 2.700000 
1 1 1   12   28    8 o   10.300   1.0750   11.550   1.2910   9.0430   1.7200 2.509000 2.150000 
1 1 1   12   28    9 o   9.2100   1.0880   7.7210   1.7220   10.700   1.3300 -2.979000 2.176000 
1 1 1   12   28   10 o   11.860   0.8174   11.680   1.1520   12.030   1.1600 -0.3513000 1.635000 
1 1 1   12   28   11 o   8.8650   1.1170   9.3950   1.4430   8.3350   1.7060 1.060000 2.234000 
1 1 1   12   28   12 o   3.9740   1.2840   3.7790   1.7610   4.1690   1.8690 -0.3900000 2.568000 
1 1 1   12   28   13 o   4.9720   1.4450   4.3950   1.9390   5.5490   2.1440 -1.154000 2.891000 
1 1 1   12   28   14 o   5.2670   1.4680   4.3700   1.9370   6.1640   2.2070 -1.793000 2.936000 
1 1 1   12   28   15 o   10.850   0.9695   11.250   1.2460   10.450   1.4860 0.7959000 1.939000 
1 1 1   12   28   16 o   4.9900   1.3640   4.5520   1.8720   5.4280   1.9860 -0.8753000 2.729000 
1 1 1   12   28   17 o   3.4210   1.1620   3.2600   1.5850   3.5820   1.6980 -0.3220000 2.323000 
1 1 1   12   28   18 o   3.6890   1.2100   3.0230   1.4870   4.3550   1.9100 -1.332000 2.420000 
1 1 1   12   28   19 o   3.2670   1.0870   2.7850   1.3660   3.7480   1.6910 -0.9640000 2.174000 
1 1 1   12   28   20 o   2.5830   0.9184   2.2950   1.1670   2.8720   1.4180 -0.5766000 1.837000 
1 1 1   12   28   21 o   2.2550   0.8199   2.3030   1.1830   2.2070   1.1360 0.9621000E-01 1.640000 
1 1 1   12   30    0 o   11.820   0.7807   11.050   1.1500   12.580   1.0560 -1.527000 1.561000 
1 1 1   12   30    1 o   6.4740   1.3210   6.3550   1.8520   6.5930   1.8840 -0.2381000 2.642000 
1 1 1   12   30    2 o   7.7150   1.3090   6.2800   1.8830   9.1500   1.8190 -2.871000 2.618000 
1 1 1   12   30    3 o   13.770   0.7217   14.160   0.9572   13.390   1.0810 0.7719000 1.443000 
1 1 1   12   30    4 o   15.080   0.6680   15.810   0.8723   14.350   1.0120 1.459000 1.336000 
1 1 1   12   30    5 o   7.8920   1.2330   9.0780   1.5090   6.7060   1.9500 2.372000 2.465000 
1 1 1   12   30    6 o   7.9600   1.2180   9.7690   1.4060   6.1510   1.9890 3.617000 2.436000 
1 1 1   12   30    7 o   9.7620   1.2330   9.3570   1.8070   10.170   1.6760 -0.8105000 2.465000 
1 1 1   12   30    8 o   11.080   1.0590   11.210   1.4670   10.960   1.5260 0.2521000 2.117000 
1 1 1   12   30    9 o   4.5040   1.3660   5.0570   2.0470   3.9500   1.8090 1.107000 2.732000 
1 1 1   12   30   10 o   8.2010   1.3690   9.9170   1.6810   6.4850   2.1610 3.432000 2.738000 
1 1 1   12   30   11 f   4.4630   1.3110   4.3020   1.8100   4.6250   1.8970 -0.3231000 2.622000 
1 1 1   12   30   12 o   4.7290   1.2270   6.3650   1.9440   3.0930   1.4960 3.272000 2.453000 
1 1 1   12   30   13 o   3.2350   1.1080   2.7330   1.3690   3.7370   1.7420 -1.004000 2.215000 
1 1 1   12   30   14 o   6.6870   1.5210   6.8730   2.1250   6.5010   2.1750 0.3722000 3.041000 
1 1 1   12   30   15 o   4.9850   1.3530   5.1970   1.9290   4.7740   1.8960 0.4228000 2.705000 
1 1 1   12   30   16 o   2.7850   0.9649   3.2110   1.5200   2.3590   1.1890 0.8522000 1.930000 
1 1 1   12   30   17 o   2.7010   0.9499   2.8310   1.3950   2.5710   1.2890 0.2605000 1.900000 
1 1 1   12   30   18 o   2.3220   0.8513   2.3230   1.2040   2.3210   1.2040 0.2198000E-02 1.703000 
1 1 1   12   32    0 o   5.1470   1.4370   5.1600   2.0170   5.1340   2.0480 0.2622000E-01 2.875000 
1 1 1   12   32    1 o   5.1460   1.3990   3.9270   1.7820   6.3640   2.1560 -2.437000 2.797000 
1 1 1   12   32    2 o   3.6450   1.2170   3.8250   1.7430   3.4660   1.6970 0.3596000 2.433000 
1 1 1   12   32    3 o   4.5760   1.3390   4.0240   1.8160   5.1290   1.9690 -1.105000 2.679000 
1 1 1   12   32    4 o   3.4300   1.1340   3.2540   1.5390   3.6070   1.6660 -0.3529000 2.268000 
1 1 1   12   32    5 o   4.3190   1.3380   3.9620   1.7890   4.6750   1.9900 -0.7137000 2.676000 
1 1 1   12   32    6 o   4.0710   1.2840   4.5470   1.9280   3.5950   1.6960 0.9516000 2.568000 
1 1 1   12   32    7 o   3.9750   1.2590   4.6780   1.9560   3.2720   1.5870 1.406000 2.519000 
1 1 1   12   32    8 o   3.7580   1.2220   4.3430   1.8900   3.1730   1.5490 1.170000 2.443000 
1 1 1   12   32    9 o   3.0620   1.0610   3.3740   1.6170   2.7500   1.3750 0.6240000 2.122000 
1 1 1   12   32   10 o   2.8050   0.9739   2.7770   1.3650   2.8320   1.3900 -0.5470000E-01 1.948000 
1 1 1   12   32   11 o   2.8650   0.9824   2.4680   1.2320   3.2610   1.5310 -0.7936000 1.965000 
1 1 1   12   32   12 o   2.2800   0.8148   2.2830   1.1530   2.2770   1.1520 0.5698000E-02 1.630000 
1 1 1   12   32   13 o   2.1490   0.7781   1.9830   1.0190   2.3140   1.1760 -0.3310000 1.556000 
1 1 1   12   34    0 o   3.2710   1.0720   2.5820   1.2780   3.9600   1.7210 -1.378000 2.144000 
1 1 1   12   34    1 o   2.8580   0.9805   3.0050   1.4380   2.7120   1.3330 0.2930000 1.961000 
1 1 1   12   34    2 f   2.5300   0.8899   2.7070   1.3290   2.3540   1.1840 0.3532000 1.780000 
1 1 1   12   34    3 o   3.0290   1.0260   3.1660   1.4950   2.8930   1.4050 0.2735000 2.051000 
1 1 1   12   34    4 o   2.7750   0.9602   2.9130   1.4090   2.6380   1.3050 0.2748000 1.920000 
1 1 1   12   34    5 o   2.4980   0.8807   2.4850   1.2380   2.5110   1.2530 -0.2617000E-01 1.761000 
1 1 1   12   34    6 o   2.1830   0.7845   2.0120   1.0280   2.3530   1.1850 -0.3411000 1.569000 
1 1 1   13    1    0 o   13.910   0.1587   14.540   0.2054   13.280   0.2420 1.259000 0.3175000 
1 1 1   13    1    1 o   57.940   0.3675   58.230   0.5222   57.660   0.5173 0.5681000 0.7351000 
1 1 1   13    1    2 o   68.870   0.5020   69.590   0.7167   68.160   0.7031 1.429000 1.004000 
1 1 1   13    1    3 o   43.720   0.3699   43.110   0.4588   44.330   0.5804 -1.221000 0.7398000 
1 1 1   13    1    4 o   63.300   0.4023   63.090   0.5672   63.500   0.5707 -0.4098000 0.8047000 
1 1 1   13    1    5 o   80.260   0.5078   80.400   0.7193   80.110   0.7168 0.2851000 1.016000 
1 1 1   13    1    6 o   20.220   0.2026   20.170   0.2863   20.270   0.2866 -0.9163000E-01 0.4051000 
1 1 1   13    1    7 o   15.310   0.2316   15.270   0.3285   15.350   0.3265 -0.8410000E-01 0.4632000 
1 1 1   13    1    8 o   37.140   0.3693   37.280   0.5220   37.010   0.5225 0.2641000 0.7385000 
1 1 1   13    1    9 o   48.190   0.3204   48.200   0.4528   48.180   0.4534 0.2600000E-01 0.6408000 
1 1 1   13    1   10 o   27.640   0.2360   28.250   0.3335   27.030   0.3339 1.220000 0.4719000 
1 1 1   13    1   11 o   30.940   0.2487   30.930   0.3489   30.940   0.3544 -0.1718000E-01 0.4974000 
1 1 1   13    1   12 o   28.060   0.2540   27.810   0.3593   28.300   0.3592 -0.4910000 0.5080000 
1 1 1   13    1   13 o   19.810   0.2923   20.180   0.4037   19.440   0.4228 0.7453000 0.5846000 
1 1 1   13    1   14 o   84.310   0.5406   84.540   0.7664   84.090   0.7627 0.4491000 1.081000 
1 1 1   13    1   15 o   57.980   0.3910   58.090   0.5539   57.880   0.5519 0.2166000 0.7819000 
1 1 1   13    1   16 o   44.630   0.3325   44.730   0.4697   44.530   0.4706 0.2027000 0.6649000 
1 1 1   13    1   17 o   41.240   0.4556   41.000   0.6427   41.480   0.6460 -0.4778000 0.9113000 
1 1 1   13    1   18 o   46.510   0.3537   46.510   0.4964   46.510   0.5039 -0.3311000E-02 0.7073000 
1 1 1   13    1   19 o   24.720   0.3659   24.870   0.5003   24.560   0.5339 0.3074000 0.7317000 
1 1 1   13    1   20 o   22.370   0.3901   22.510   0.5374   22.240   0.5657 0.2700000 0.7802000 
1 1 1   13    1   21 o   12.240   0.6490   12.070   0.9235   12.410   0.9121 -0.3400000 1.298000 
1 1 1   13    1   22 o   17.980   0.6801   16.930   1.0150   19.030   0.9058 -2.098000 1.360000 
1 1 1   13    1   23 o   4.2980   1.1640   4.1860   1.6280   4.4110   1.6660 -0.2244000 2.329000 
1 1 1   13    1   24 o   4.9190   1.1860   5.0570   1.6830   4.7820   1.6700 0.2747000 2.371000 
1 1 1   13    1   25 o   3.5240   1.0320   4.4180   1.6330   2.6310   1.2620 1.787000 2.063000 
1 1 1   13    1   26 o   16.210   0.5051   17.270   0.7104   15.140   0.7182 2.126000 1.010000 
1 1 1   13    1   27 o   9.4360   0.8068   8.2550   1.2780   10.620   0.9845 -2.364000 1.614000 
1 1 1   13    1   28 o   5.0590   1.1640   3.8130   1.6020   6.3050   1.6880 -2.491000 2.328000 
1 1 1   13    1   29 o   6.0880   1.2640   5.3870   1.8080   6.7890   1.7680 -1.402000 2.528000 
1 1 1   13    1   30 o   3.6230   1.1990   3.3420   1.6040   3.9040   1.7830 -0.5627000 2.398000 
1 1 1   13    1   31 o   4.2480   1.2580   3.9380   1.7130   4.5570   1.8420 -0.6187000 2.515000 
1 1 1   13    1   32 o   5.2090   1.3460   4.4890   1.8430   5.9300   1.9610 -1.441000 2.691000 
1 1 1   13    1   33 o   4.5200   1.3210   4.8100   1.9010   4.2300   1.8330 0.5803000 2.641000 
1 1 1   13    1   34 o   4.6900   1.4490   5.6760   2.2730   3.7040   1.7960 1.972000 2.897000 
1 1 1   13    1   35 o   2.9440   1.0140   2.7680   1.3660   3.1190   1.4980 -0.3510000 2.027000 
1 1 1   13    1   36 o   3.0280   1.5400   3.0280   1.5400  ?   ?       ?      ? 
1 1 1   13    3    0 o   73.150   0.5326   72.930   0.7508   73.380   0.7555 -0.4470000 1.065000 
1 1 1   13    3    1 o   78.300   0.4940   78.570   0.7009   78.030   0.6964 0.5398000 0.9880000 
1 1 1   13    3    2 o   16.760   0.2120   17.090   0.2999   16.420   0.2997 0.6731000 0.4240000 
1 1 1   13    3    3 o   36.400   0.2871   36.760   0.4091   36.030   0.4029 0.7317000 0.5742000 
1 1 1   13    3    4 o   38.030   0.2569   38.320   0.3650   37.730   0.3616 0.5917000 0.5138000 
1 1 1   13    3    5 o   35.340   0.2456   35.380   0.3471   35.310   0.3476 0.7597000E-01 0.4913000 
1 1 1   13    3    6 o   35.770   0.2501   35.800   0.3528   35.740   0.3547 0.6542000E-01 0.5003000 
1 1 1   13    3    7 o   35.770   0.2909   35.890   0.4123   35.650   0.4103 0.2387000 0.5817000 
1 1 1   13    3    8 o   51.720   0.3936   52.510   0.5632   50.920   0.5499 1.584000 0.7871000 
1 1 1   13    3    9 o   50.240   0.3331   50.250   0.4702   50.240   0.4720 0.9899000E-02 0.6663000 
1 1 1   13    3   10 o   23.010   0.2396   23.160   0.3350   22.860   0.3426 0.2977000 0.4792000 
1 1 1   13    3   11 o   20.620   0.2570   20.820   0.3596   20.420   0.3672 0.4040000 0.5140000 
1 1 1   13    3   12 o   10.440   0.4442   10.600   0.6063   10.270   0.6494 0.3350000 0.8884000 
1 1 1   13    3   13 o   29.240   0.2671   29.040   0.3775   29.440   0.3781 -0.4001000 0.5343000 
1 1 1   13    3   14 o   34.730   0.2863   34.690   0.4029   34.770   0.4070 -0.7577000E-01 0.5726000 
1 1 1   13    3   15 o   31.890   0.2941   32.000   0.4133   31.780   0.4185 0.2111000 0.5883000 
1 1 1   13    3   16 o   31.400   0.3486   30.970   0.4790   31.840   0.5066 -0.8716000 0.6972000 
1 1 1   13    3   17 o   39.290   0.4513   39.370   0.6395   39.200   0.6369 0.1686000 0.9026000 
1 1 1   13    3   18 o   38.570   0.3332   38.160   0.4643   38.980   0.4779 -0.8182000 0.6663000 
1 1 1   13    3   19 o   26.230   0.3537   25.880   0.4953   26.570   0.5050 -0.6904000 0.7074000 
1 1 1   13    3   20 o   25.660   0.3604   25.710   0.5001   25.620   0.5189 0.9216000E-01 0.7207000 
1 1 1   13    3   21 o   7.7620   1.2060   8.5250   1.6060   6.9980   1.7990 1.527000 2.411000 
1 1 1   13    3   22 o   7.2920   1.4430   8.3870   1.8750   6.1960   2.1950 2.192000 2.886000 
1 1 1   13    3   23 o   13.620   0.5321   13.300   0.7402   13.950   0.7645 -0.6466000 1.064000 
1 1 1   13    3   24 o   2.8610   0.9445   2.9860   1.3630   2.7360   1.3080 0.2501000 1.889000 
1 1 1   13    3   25 o   9.2630   0.7691   9.1050   1.0720   9.4220   1.1030 -0.3171000 1.538000 
1 1 1   13    3   26 o   4.0090   1.0780   2.8640   1.3410   5.1540   1.6870 -2.291000 2.155000 
1 1 1   13    3   27 o   3.0530   0.9939   2.6500   1.2730   3.4560   1.5270 -0.8063000 1.988000 
1 1 1   13    3   28 o   4.4060   1.1980   4.2850   1.6610   4.5280   1.7260 -0.2427000 2.395000 
1 1 1   13    3   29 o   5.5210   1.4430   5.1350   2.0080   5.9080   2.0740 -0.7732000 2.887000 
1 1 1   13    3   30 o   8.5470   1.1990   7.4220   1.9020   9.6720   1.4620 -2.250000 2.399000 
1 1 1   13    3   31 o   5.8650   1.3010   6.9070   1.8050   4.8230   1.8730 2.084000 2.601000 
1 1 1   13    3   32 o   4.7320   1.3140   4.0200   1.7440   5.4440   1.9660 -1.424000 2.628000 
1 1 1   13    3   33 o   7.7110   1.3940   6.2710   2.1040   9.1510   1.8300 -2.880000 2.789000 
1 1 1   13    3   34 o   3.4500   1.1940   3.5610   1.7340   3.3380   1.6440 0.2228000 2.389000 
1 1 1   13    3   35 o   2.6930   0.9436   2.6720   1.3270   2.7140   1.3420 -0.4234000E-01 1.887000 
1 1 1   13    5    0 o   92.660   0.5842   92.140   0.8217   93.180   0.8307 -1.033000 1.168000 
1 1 1   13    5    1 f   92.000   0.6710   91.710   0.9460   92.290   0.9518 -0.5858000 1.342000 
1 1 1   13    5    2 o   50.850   0.3842   50.800   0.5429   50.900   0.5439 -0.9571000E-01 0.7685000 
1 1 1   13    5    3 o   38.680   0.2643   38.810   0.3747   38.560   0.3729 0.2467000 0.5286000 
1 1 1   13    5    4 o   36.780   0.2574   36.890   0.3644   36.680   0.3637 0.2072000 0.5149000 
1 1 1   13    5    5 o   66.250   0.4903   65.970   0.6905   66.520   0.6963 -0.5554000 0.9806000 
1 1 1   13    5    6 o   17.910   0.2578   17.750   0.3614   18.060   0.3676 -0.3083000 0.5155000 
1 1 1   13    5    7 o   16.380   0.2976   16.180   0.4052   16.580   0.4360 -0.4004000 0.5952000 
1 1 1   13    5    8 o   38.030   0.3153   37.980   0.4432   38.080   0.4487 -0.1005000 0.6307000 
1 1 1   13    5    9 o   22.360   0.2434   22.610   0.3383   22.100   0.3502 0.5139000 0.4869000 
1 1 1   13    5   10 o   58.420   0.3836   58.880   0.5461   57.960   0.5388 0.9245000 0.7671000 
1 1 1   13    5   11 o   30.300   0.2609   30.200   0.3635   30.400   0.3744 -0.2086000 0.5218000 
1 1 1   13    5   12 o   5.1230   0.9477   5.3380   1.2880   4.9090   1.3910 0.4285000 1.895000 
1 1 1   13    5   13 o   29.260   0.2805   29.250   0.3963   29.270   0.3970 -0.1340000E-01 0.5609000 
1 1 1   13    5   14 o   25.430   0.3016   25.590   0.4171   25.260   0.4357 0.3226000 0.6032000 
1 1 1   13    5   15 o   80.880   0.5246   80.560   0.7382   81.210   0.7456 -0.6493000 1.049000 
1 1 1   13    5   16 o   24.300   0.4654   24.090   0.6487   24.510   0.6675 -0.4188000 0.9308000 
1 1 1   13    5   17 f   12.470   0.7325   11.620   1.1230   13.320   0.9405 -1.702000 1.465000 
1 1 1   13    5   18 o   34.650   0.3353   34.600   0.4675   34.700   0.4807 -0.1010000 0.6705000 
1 1 1   13    5   19 o   6.6880   1.1800   6.6240   1.6350   6.7510   1.7000 -0.1272000 2.359000 
1 1 1   13    5   20 o   15.470   0.5142   15.690   0.6879   15.250   0.7645 0.4404000 1.028000 
1 1 1   13    5   21 o   13.640   0.8886   13.260   1.2150   14.010   1.2970 -0.7532000 1.777000 
1 1 1   13    5   22 o   9.2280   1.0060   7.5580   1.5740   10.900   1.2540 -3.340000 2.012000 
1 1 1   13    5   23 o   17.060   0.4410   16.510   0.6178   17.610   0.6295 -1.107000 0.8820000 
1 1 1   13    5   24 o   3.6160   1.0660   4.2040   1.6090   3.0270   1.3990 1.177000 2.132000 
1 1 1   13    5   25 o   3.7840   1.0760   2.7610   1.3100   4.8070   1.7090 -2.046000 2.153000 
1 1 1   13    5   26 o   10.420   0.6848   10.590   0.9119   10.240   1.0220 0.3484000 1.370000 
1 1 1   13    5   27 o   11.040   0.6847   10.870   0.9653   11.210   0.9714 -0.3366000 1.369000 
1 1 1   13    5   28 o   3.3770   1.0710   2.7890   1.3330   3.9660   1.6760 -1.177000 2.141000 
1 1 1   13    5   29 o   3.9530   1.2570   3.3860   1.6070   4.5210   1.9340 -1.135000 2.515000 
1 1 1   13    5   30 o   4.4390   1.2630   4.5240   1.7830   4.3540   1.7890 0.1696000 2.526000 
1 1 1   13    5   31 o   4.2950   1.2710   4.2290   1.7810   4.3600   1.8130 -0.1315000 2.542000 
1 1 1   13    5   32 o   3.3820   1.1190   3.1130   1.4890   3.6510   1.6710 -0.5377000 2.238000 
1 1 1   13    5   33 o   4.6970   1.4840   4.5540   2.0290   4.8390   2.1670 -0.2852000 2.969000 
1 1 1   13    5   34 o   2.5830   0.9146   2.8070   1.3840   2.3590   1.1960 0.4484000 1.829000 
1 1 1   13    5   35 o   2.7260   0.9540   2.8750   1.4070   2.5770   1.2890 0.2983000 1.908000 
1 1 1   13    7    0 o   91.440   0.5789   91.410   0.8184   91.480   0.8191 -0.7150000E-01 1.158000 
1 1 1   13    7    1 o   32.370   0.2744   32.380   0.3864   32.370   0.3896 0.1629000E-01 0.5488000 
1 1 1   13    7    2 o   54.680   0.4108   54.300   0.5767   55.060   0.5852 -0.7603000 0.8216000 
1 1 1   13    7    3 o   38.400   0.3093   37.970   0.4341   38.830   0.4408 -0.8664000 0.6187000 
1 1 1   13    7    4 o   18.940   0.2677   18.870   0.3791   19.010   0.3780 -0.1448000 0.5353000 
1 1 1   13    7    5 o   46.630   0.3158   46.710   0.4467   46.550   0.4464 0.1587000 0.6315000 
1 1 1   13    7    6 o   26.560   0.2813   26.330   0.3934   26.800   0.4022 -0.4703000 0.5626000 
1 1 1   13    7    7 o   16.900   0.3998   17.280   0.6362   16.510   0.4844 0.7683000 0.7996000 
1 1 1   13    7    8 o   35.770   0.2949   35.360   0.3775   36.180   0.4532 -0.8281000 0.5898000 
1 1 1   13    7    9 o   17.270   0.2981   17.320   0.4155   17.210   0.4276 0.1099000 0.5962000 
1 1 1   13    7   10 o   18.110   0.2999   18.080   0.4191   18.140   0.4291 -0.5820000E-01 0.5998000 
1 1 1   13    7   11 o   35.370   0.2834   35.320   0.3974   35.410   0.4042 -0.9160000E-01 0.5668000 
1 1 1   13    7   12 o   27.720   0.2871   27.800   0.4011   27.650   0.4109 0.1530000 0.5742000 
1 1 1   13    7   13 o   75.150   0.4885   75.720   0.6954   74.580   0.6863 1.137000 0.9770000 
1 1 1   13    7   14 o   9.2740   0.7422   10.480   0.8767   8.0690   1.1980 2.410000 1.484000 
1 1 1   13    7   15 o   52.340   0.4252   52.860   0.6005   51.820   0.6022 1.035000 0.8504000 
1 1 1   13    7   16 o   8.7000   1.0910   9.1450   1.5070   8.2550   1.5790 0.8905000 2.183000 
1 1 1   13    7   17 o   25.670   0.3644   25.030   0.5092   26.320   0.5214 -1.291000 0.7288000 
1 1 1   13    7   18 f   32.100   0.3622   32.110   0.4674   32.080   0.5535 0.2912000E-01 0.7244000 
1 1 1   13    7   19 o   4.6360   1.2220   4.1780   1.6550   5.0950   1.7980 -0.9174000 2.444000 
1 1 1   13    7   20 o   25.400   0.4286   25.120   0.6088   25.670   0.6034 -0.5591000 0.8572000 
1 1 1   13    7   21 o   26.650   0.5086   26.300   0.7066   27.010   0.7317 -0.7049000 1.017000 
1 1 1   13    7   22 o   6.7490   1.1130   7.0720   1.4790   6.4270   1.6640 0.6450000 2.227000 
1 1 1   13    7   23 o   3.7510   1.1130   3.4090   1.4930   4.0940   1.6520 -0.6842000 2.227000 
1 1 1   13    7   24 o   4.1860   1.0770   2.8040   1.3240   5.5680   1.7000 -2.763000 2.155000 
1 1 1   13    7   25 o   11.050   0.6841   11.940   0.8385   10.160   1.0810 1.780000 1.368000 
1 1 1   13    7   26 o   16.390   0.4769   16.610   0.6336   16.170   0.7129 0.4470000 0.9538000 
1 1 1   13    7   27 o   3.8660   1.1440   3.4810   1.5170   4.2510   1.7140 -0.7696000 2.288000 
1 1 1   13    7   28 o   6.3580   1.2780   6.9990   1.6340   5.7170   1.9660 1.282000 2.556000 
1 1 1   13    7   29 o   3.6230   1.2040   3.9380   1.8030   3.3080   1.5960 0.6292000 2.408000 
1 1 1   13    7   30 o   7.2230   1.2160   6.9460   1.7150   7.4990   1.7250 -0.5533000 2.433000 
1 1 1   13    7   31 o   7.4180   1.2750   7.7960   1.7210   7.0410   1.8830 0.7555000 2.551000 
1 1 1   13    7   32 o   3.6870   1.1820   3.8360   1.6970   3.5370   1.6470 0.2992000 2.365000 
1 1 1   13    7   33 o   4.2720   1.4040   4.0160   1.8910   4.5280   2.0750 -0.5126000 2.808000 
1 1 1   13    7   34 f   2.5680   0.9093   2.2420   1.1390   2.8940   1.4180 -0.6520000 1.819000 
1 1 1   13    7   35 o   2.6350   0.9254   2.4790   1.2440   2.7910   1.3700 -0.3120000 1.851000 
1 1 1   13    9    0 o   36.340   0.2651   36.640   0.3768   36.050   0.3731 0.5904000 0.5303000 
1 1 1   13    9    1 o   22.150   0.2463   22.510   0.3469   21.800   0.3498 0.7082000 0.4926000 
1 1 1   13    9    2 o   30.420   0.2852   30.710   0.4077   30.130   0.3989 0.5811000 0.5704000 
1 1 1   13    9    3 o   42.950   0.2997   43.130   0.4242   42.780   0.4234 0.3472000 0.5993000 
1 1 1   13    9    4 o   31.490   0.2987   31.670   0.4209   31.320   0.4239 0.3468000 0.5974000 
1 1 1   13    9    5 o   45.310   0.3642   45.200   0.5134   45.430   0.5167 -0.2259000 0.7284000 
1 1 1   13    9    6 o   8.1500   0.5550   7.7620   0.8093   8.5380   0.7596 -0.7766000 1.110000 
1 1 1   13    9    7 o   37.200   0.2832   37.860   0.4034   36.550   0.3976 1.316000 0.5665000 
1 1 1   13    9    8 o   20.530   0.3096   20.230   0.4617   20.840   0.4126 -0.6137000 0.6192000 
1 1 1   13    9    9 o   68.800   0.4488   69.170   0.6372   68.420   0.6320 0.7433000 0.8975000 
1 1 1   13    9   10 o   36.950   0.2965   36.930   0.4146   36.980   0.4239 -0.5435000E-01 0.5929000 
1 1 1   13    9   11 o   71.320   0.4663   71.260   0.6585   71.370   0.6605 -0.1156000 0.9327000 
1 1 1   13    9   12 o   41.880   0.3242   41.880   0.4561   41.880   0.4610 -0.6611000E-02 0.6485000 
1 1 1   13    9   13 o   3.0690   0.9992   2.6910   1.2910   3.4470   1.5250 -0.7553000 1.998000 
1 1 1   13    9   14 o   25.630   0.4145   26.210   0.6131   25.040   0.5580 1.169000 0.8290000 
1 1 1   13    9   15 o   40.920   0.4012   40.800   0.5734   41.040   0.5614 -0.2331000 0.8025000 
1 1 1   13    9   16 o   26.470   0.3727   27.110   0.5149   25.820   0.5391 1.294000 0.7455000 
1 1 1   13    9   17 o   20.770   0.4302   20.440   0.6030   21.100   0.6139 -0.6647000 0.8605000 
1 1 1   13    9   18 o   10.860   0.7532   10.770   1.0250   10.950   1.1040 -0.1721000 1.506000 
1 1 1   13    9   19 o   15.740   0.5997   15.630   0.8534   15.850   0.8427 -0.2253000 1.199000 
1 1 1   13    9   20 o   9.3180   1.2810   10.150   1.5600   8.4900   2.0330 1.655000 2.562000 
1 1 1   13    9   21 o   30.860   0.3959   30.710   0.5278   31.010   0.5901 -0.2972000 0.7917000 
1 1 1   13    9   22 o   10.650   0.7251   11.740   0.8601   9.5550   1.1680 2.187000 1.450000 
1 1 1   13    9   23 o   2.8610   0.9411   3.3790   1.4800   2.3440   1.1630 1.035000 1.882000 
1 1 1   13    9   24 o   11.520   0.6507   11.760   0.8767   11.270   0.9617 0.4868000 1.301000 
1 1 1   13    9   25 o   8.7770   0.8804   7.7950   1.3490   9.7600   1.1320 -1.965000 1.761000 
1 1 1   13    9   26 o   3.3880   1.0710   3.4010   1.5130   3.3750   1.5170 0.2635000E-01 2.142000 
1 1 1   13    9   27 o   7.0990   1.1180   7.0280   1.5230   7.1690   1.6360 -0.1404000 2.235000 
1 1 1   13    9   28 o   5.0130   1.4180   5.5270   2.0550   4.4980   1.9550 1.029000 2.836000 
1 1 1   13    9   29 o   4.8510   1.3690   4.9750   1.9480   4.7270   1.9250 0.2475000 2.739000 
1 1 1   13    9   30 o   4.8770   1.3170   5.3420   1.9070   4.4110   1.8170 0.9304000 2.634000 
1 1 1   13    9   31 o   4.9200   1.2910   3.2430   1.5240   6.5980   2.0850 -3.355000 2.583000 
1 1 1   13    9   32 o   3.1570   1.0930   2.9110   1.4440   3.4030   1.6410 -0.4923000 2.186000 
1 1 1   13    9   33 o   4.0290   1.2970   3.9200   1.7950   4.1390   1.8720 -0.2196000 2.594000 
1 1 1   13    9   34 o   2.6550   0.9317   2.9310   1.4280   2.3790   1.1970 0.5523000 1.863000 
1 1 1   13   11    0 o   41.400   0.3417   40.880   0.4773   41.920   0.4890 -1.034000 0.6833000 
1 1 1   13   11    1 o   34.660   0.3556   35.210   0.5549   34.110   0.4448 1.097000 0.7112000 
1 1 1   13   11    2 o   54.290   0.4193   55.690   0.6040   52.900   0.5817 2.790000 0.8385000 
1 1 1   13   11    3 o   88.010   0.5622   87.780   0.7926   88.250   0.7977 -0.4657000 1.124000 
1 1 1   13   11    4 o   67.520   0.4398   68.110   0.6259   66.940   0.6179 1.161000 0.8795000 
1 1 1   13   11    5 o   35.920   0.2854   36.020   0.4020   35.810   0.4053 0.2015000 0.5708000 
1 1 1   13   11    6 o   19.060   0.3180   19.200   0.4433   18.930   0.4562 0.2694000 0.6361000 
1 1 1   13   11    7 o   53.510   0.3659   54.160   0.5214   52.860   0.5134 1.298000 0.7317000 
1 1 1   13   11    8 o   32.910   0.2957   33.100   0.4145   32.710   0.4218 0.3910000 0.5913000 
1 1 1   13   11    9 o   50.750   0.4404   49.340   0.7139   52.160   0.5159 -2.820000 0.8808000 
1 1 1   13   11   10 o   39.650   0.3172   39.820   0.4466   39.490   0.4506 0.3311000 0.6344000 
1 1 1   13   11   11 o   17.110   0.4252   17.220   0.5780   17.000   0.6236 0.2186000 0.8503000 
1 1 1   13   11   12 o   17.680   0.4711   17.590   0.6544   17.760   0.6779 -0.1720000 0.9422000 
1 1 1   13   11   13 o   39.390   0.3897   39.140   0.5557   39.640   0.5465 -0.4961000 0.7794000 
1 1 1   13   11   14 o   24.350   0.4636   25.310   0.6486   23.380   0.6627 1.929000 0.9272000 
1 1 1   13   11   15 o   16.610   0.5208   16.210   0.7354   17.010   0.7376 -0.8000000 1.042000 
1 1 1   13   11   16 o   21.980   0.4388   21.450   0.5762   22.500   0.6620 -1.048000 0.8776000 
1 1 1   13   11   17 o   11.010   0.7339   10.550   1.0640   11.470   1.0110 -0.9180000 1.468000 
1 1 1   13   11   18 o   16.230   0.5768   16.840   0.8026   15.630   0.8286 1.210000 1.154000 
1 1 1   13   11   19 o   21.530   0.5870   21.940   0.7763   21.110   0.8807 0.8301000 1.174000 
1 1 1   13   11   20 o   5.3150   1.2420   6.3330   1.6980   4.2980   1.8140 2.035000 2.484000 
1 1 1   13   11   21 o   16.990   0.4580   17.030   0.6149   16.940   0.6788 0.8502000E-01 0.9160000 
1 1 1   13   11   22 o   11.390   0.6590   12.290   0.8048   10.500   1.0440 1.785000 1.318000 
1 1 1   13   11   23 o   3.0990   1.0110   2.9870   1.3840   3.2120   1.4740 -0.2246000 2.022000 
1 1 1   13   11   24 o   8.1300   0.9675   9.6070   1.0510   6.6540   1.6250 2.953000 1.935000 
1 1 1   13   11   25 o   6.4830   1.1040   5.0250   1.6670   7.9420   1.4470 -2.916000 2.207000 
1 1 1   13   11   26 o   5.5740   1.2470   5.6710   1.7160   5.4760   1.8090 0.1952000 2.493000 
1 1 1   13   11   27 o   6.7260   1.3070   6.8720   1.7940   6.5790   1.9020 0.2935000 2.614000 
1 1 1   13   11   28 o   4.7340   1.3600   4.5120   1.8800   4.9570   1.9670 -0.4453000 2.721000 
1 1 1   13   11   29 o   3.9180   1.2030   3.9760   1.6960   3.8590   1.7070 0.1167000 2.406000 
1 1 1   13   11   30 o   3.7000   1.1830   4.1860   1.7990   3.2140   1.5360 0.9718000 2.365000 
1 1 1   13   11   31 o   3.1280   1.0670   3.0560   1.4770   3.1990   1.5390 -0.1428000 2.133000 
1 1 1   13   11   32 o   4.7420   1.4960   4.2710   1.9490   5.2130   2.2710 -0.9424000 2.992000 
1 1 1   13   11   33 o   3.0050   1.0270   3.2780   1.5490   2.7320   1.3490 0.5465000 2.054000 
1 1 1   13   11   34 o   2.0830   0.7524   2.0080   1.0290   2.1580   1.0980 -0.1499000 1.505000 
1 1 1   13   13    0 o   50.480   0.3766   50.810   0.5729   50.140   0.4890 0.6695000 0.7532000 
1 1 1   13   13    1 o   45.740   0.3791   45.630   0.5355   45.840   0.5368 -0.2120000 0.7582000 
1 1 1   13   13    2 o   72.430   0.5081   72.800   0.6685   72.060   0.7655 0.7488000 1.016000 
1 1 1   13   13    3 o   53.910   0.3691   54.020   0.5212   53.800   0.5227 0.2194000 0.7382000 
1 1 1   13   13    4 o   6.8000   0.9347   5.6820   1.4720   7.9180   1.1520 -2.237000 1.869000 
1 1 1   13   13    5 o   14.760   0.4468   14.570   0.6283   14.940   0.6354 -0.3704000 0.8936000 
1 1 1   13   13    6 o   48.930   0.3525   49.360   0.5004   48.510   0.4968 0.8540000 0.7051000 
1 1 1   13   13    7 f   51.310   0.3652   51.520   0.5169   51.110   0.5160 0.4041000 0.7303000 
1 1 1   13   13    8 o   83.840   0.5437   84.050   0.7701   83.630   0.7678 0.4263000 1.087000 
1 1 1   13   13    9 o   28.260   0.3729   28.470   0.5165   28.050   0.5381 0.4238000 0.7459000 
1 1 1   13   13   10 o   58.990   0.4684   59.250   0.6609   58.730   0.6640 0.5162000 0.9368000 
1 1 1   13   13   11 o   32.940   0.3427   32.820   0.4771   33.050   0.4921 -0.2363000 0.6854000 
1 1 1   13   13   12 o   7.9330   1.2400   5.5090   2.0020   10.360   1.4640 -4.848000 2.480000 
1 1 1   13   13   13 o   12.410   0.8252   11.970   1.2190   12.850   1.1120 -0.8783000 1.650000 
1 1 1   13   13   14 o   25.000   0.3889   25.100   0.5333   24.890   0.5662 0.2101000 0.7778000 
1 1 1   13   13   15 o   29.970   0.3530   29.760   0.4923   30.170   0.5060 -0.4084000 0.7059000 
1 1 1   13   13   16 o   10.800   0.8968   11.890   1.1360   9.7140   1.3880 2.172000 1.794000 
1 1 1   13   13   17 o   8.5580   1.0890   7.0570   1.7360   10.060   1.3160 -3.002000 2.179000 
1 1 1   13   13   18 f   8.4320   1.1700   10.240   1.2220   6.6280   1.9940 3.607000 2.339000 
1 1 1   13   13   19 o   18.440   0.5318   19.100   0.6711   17.790   0.8252 1.308000 1.064000 
1 1 1   13   13   20 o   3.6680   1.0880   4.2580   1.6400   3.0790   1.4310 1.178000 2.176000 
1 1 1   13   13   21 o   14.490   0.5342   14.700   0.7194   14.280   0.7898 0.4249000 1.068000 
1 1 1   13   13   22 o   10.500   0.7176   9.7230   1.0480   11.280   0.9811 -1.555000 1.435000 
1 1 1   13   13   23 o   7.2540   1.0640   8.0350   1.2970   6.4720   1.6870 1.563000 2.128000 
1 1 1   13   13   24 o   4.1620   1.1740   3.7220   1.5790   4.6030   1.7370 -0.8806000 2.347000 
1 1 1   13   13   25 o   6.8550   1.1570   7.2170   1.5140   6.4930   1.7490 0.7248000 2.313000 
1 1 1   13   13   26 o   3.6610   1.1610   3.7780   1.6620   3.5440   1.6220 0.2342000 2.322000 
1 1 1   13   13   27 o   9.0130   1.1590   8.8960   1.6090   9.1310   1.6690 -0.2354000 2.319000 
1 1 1   13   13   28 o   4.1370   1.2170   3.1900   1.4970   5.0840   1.9180 -1.893000 2.433000 
1 1 1   13   13   29 o   3.3260   1.1040   3.5100   1.6090   3.1420   1.5110 0.3683000 2.207000 
1 1 1   13   13   30 o   3.9060   1.1760   4.9650   1.8900   2.8470   1.4000 2.118000 2.352000 
1 1 1   13   13   31 o   4.0830   1.3560   4.3850   1.9940   3.7810   1.8370 0.6033000 2.711000 
1 1 1   13   13   32 o   3.7710   1.1600   4.8130   1.8860   2.7300   1.3510 2.083000 2.320000 
1 1 1   13   13   33 o   2.4630   0.8803   2.7180   1.3570   2.2080   1.1220 0.5100000 1.761000 
1 1 1   13   15    0 o   21.500   0.3552   21.180   0.5026   21.830   0.5022 -0.6480000 0.7105000 
1 1 1   13   15    1 o   21.770   0.3554   21.650   0.5047   21.900   0.5006 -0.2513000 0.7109000 
1 1 1   13   15    2 o   34.610   0.3116   34.710   0.4405   34.510   0.4408 0.1955000 0.6232000 
1 1 1   13   15    3 o   46.730   0.3757   48.480   0.4997   44.970   0.5612 3.511000 0.7514000 
1 1 1   13   15    4 o   46.640   0.3511   46.740   0.4931   46.550   0.5000 0.1926000 0.7022000 
1 1 1   13   15    5 o   30.310   0.3798   30.550   0.5280   30.080   0.5460 0.4661000 0.7595000 
1 1 1   13   15    6 o   15.220   0.6044   14.830   0.8507   15.610   0.8588 -0.7755000 1.209000 
1 1 1   13   15    7 o   49.060   0.4221   49.420   0.5950   48.700   0.5990 0.7232000 0.8443000 
1 1 1   13   15    8 o   48.440   0.3963   48.950   0.5935   47.940   0.5254 1.012000 0.7927000 
1 1 1   13   15    9 o   18.020   0.5658   18.860   0.8407   17.180   0.7574 1.685000 1.132000 
1 1 1   13   15   10 o   45.890   0.4380   45.780   0.6255   46.000   0.6133 -0.2176000 0.8760000 
1 1 1   13   15   11 f   5.7760   1.4510   6.5550   2.1120   4.9980   1.9900 1.558000 2.902000 
1 1 1   13   15   12 o   9.5180   0.9339   8.4840   1.4260   10.550   1.2070 -2.069000 1.868000 
1 1 1   13   15   13 o   21.550   0.4341   21.920   0.5969   21.170   0.6304 0.7507000 0.8681000 
1 1 1   13   15   14 o   17.640   0.5778   18.810   0.7774   16.480   0.8550 2.331000 1.156000 
1 1 1   13   15   15 o   14.930   0.6350   15.000   0.8907   14.850   0.9053 0.1489000 1.270000 
1 1 1   13   15   16 o   14.590   0.5743   15.350   0.7425   13.830   0.8764 1.528000 1.149000 
1 1 1   13   15   17 o   5.6230   1.2810   6.7980   1.7400   4.4480   1.8790 2.350000 2.561000 
1 1 1   13   15   18 o   21.410   0.4126   21.780   0.5603   21.030   0.6057 0.7494000 0.8251000 
1 1 1   13   15   19 o   17.100   0.4801   16.640   0.6720   17.560   0.6858 -0.9239000 0.9601000 
1 1 1   13   15   20 o   5.3270   1.2360   4.8190   1.7240   5.8340   1.7720 -1.014000 2.473000 
1 1 1   13   15   21 o   20.600   0.4160   20.620   0.5716   20.580   0.6044 0.4112000E-01 0.8319000 
1 1 1   13   15   22 o   3.5760   1.1090   3.2990   1.4930   3.8530   1.6400 -0.5539000 2.218000 
1 1 1   13   15   23 f   10.440   0.7775   10.290   1.0580   10.600   1.1400 -0.3060000 1.555000 
1 1 1   13   15   24 o   17.640   0.4915   17.840   0.6586   17.430   0.7298 0.4150000 0.9831000 
1 1 1   13   15   25 o   3.9920   1.2200   3.8430   1.6710   4.1410   1.7790 -0.2982000 2.440000 
1 1 1   13   15   26 o   3.8780   1.2320   4.1000   1.7960   3.6550   1.6880 0.4450000 2.464000 
1 1 1   13   15   27 o   3.6920   1.1730   3.3340   1.5490   4.0490   1.7620 -0.7145000 2.346000 
1 1 1   13   15   28 o   4.8300   1.3270   5.2200   1.8940   4.4400   1.8580 0.7809000 2.653000 
1 1 1   13   15   29 o   4.3700   1.2890   4.7390   1.8670   4.0000   1.7780 0.7394000 2.578000 
1 1 1   13   15   30 o   4.1310   1.3700   4.0710   1.8880   4.1910   1.9860 -0.1206000 2.740000 
1 1 1   13   15   31 o   2.7420   0.9690   2.3820   1.2080   3.1020   1.5150 -0.7194000 1.938000 
1 1 1   13   15   32 o   2.2490   0.8076   2.0160   1.0320   2.4820   1.2420 -0.4660000 1.615000 
1 1 1   13   17    0 o   34.280   0.3925   34.510   0.5564   34.040   0.5537 0.4684000 0.7849000 
1 1 1   13   17    1 o   30.880   0.3515   31.090   0.4936   30.660   0.5006 0.4287000 0.7030000 
1 1 1   13   17    2 o   14.850   0.5952   13.100   0.9222   16.600   0.7527 -3.497000 1.190000 
1 1 1   13   17    3 o   27.120   0.3810   27.320   0.5283   26.910   0.5490 0.4135000 0.7619000 
1 1 1   13   17    4 o   37.820   0.3501   37.780   0.4918   37.860   0.4985 -0.7997000E-01 0.7003000 
1 1 1   13   17    5 o   25.370   0.4014   25.710   0.5540   25.030   0.5809 0.6884000 0.8027000 
1 1 1   13   17    6 o   12.280   0.7450   12.150   1.0370   12.410   1.0700 -0.2568000 1.490000 
1 1 1   13   17    7 o   47.270   0.4384   47.210   0.6162   47.340   0.6239 -0.1312000 0.8769000 
1 1 1   13   17    8 o   38.920   0.4768   38.320   0.7343   39.520   0.6084 -1.200000 0.9536000 
1 1 1   13   17    9 o   13.110   0.8935   13.820   1.2120   12.390   1.3130 1.429000 1.787000 
1 1 1   13   17   10 o   27.590   0.4459   27.130   0.7004   28.050   0.5521 -0.9222000 0.8918000 
1 1 1   13   17   11 o   18.140   0.5144   18.810   0.6763   17.480   0.7752 1.325000 1.029000 
1 1 1   13   17   12 o   6.4400   1.3750   6.5510   1.9140   6.3290   1.9730 0.2223000 2.749000 
1 1 1   13   17   13 o   12.090   0.8004   12.550   1.0840   11.630   1.1780 0.9168000 1.601000 
1 1 1   13   17   14 o   13.620   0.6218   13.830   0.8492   13.410   0.9085 0.4168000 1.244000 
1 1 1   13   17   15 o   21.290   0.4833   21.870   0.6330   20.700   0.7304 1.168000 0.9666000 
1 1 1   13   17   16 o   14.480   0.6602   14.910   0.8570   14.050   1.0050 0.8586000 1.320000 
1 1 1   13   17   17 o   25.520   0.3680   25.990   0.5090   25.050   0.5316 0.9396000 0.7360000 
1 1 1   13   17   18 o   12.020   0.6658   12.080   0.8963   11.960   0.9848 0.1192000 1.332000 
1 1 1   13   17   19 o   6.6760   1.1330   6.8520   1.5190   6.5000   1.6820 0.3516000 2.266000 
1 1 1   13   17   20 o   12.970   0.6210   13.550   0.8226   12.390   0.9306 1.159000 1.242000 
1 1 1   13   17   21 o   7.0430   1.1290   7.8550   1.4370   6.2320   1.7410 1.623000 2.258000 
1 1 1   13   17   22 o   8.8090   1.0290   10.680   1.0880   6.9410   1.7460 3.736000 2.057000 
1 1 1   13   17   23 f   14.040   0.6748   14.310   0.8835   13.760   1.0200 0.5541000 1.350000 
1 1 1   13   17   24 o   4.5710   1.2900   3.6600   1.6460   5.4810   1.9870 -1.821000 2.580000 
1 1 1   13   17   25 o   3.4950   1.1590   3.0280   1.4730   3.9610   1.7910 -0.9332000 2.319000 
1 1 1   13   17   26 o   3.6410   1.1630   4.0140   1.7330   3.2670   1.5530 0.7471000 2.327000 
1 1 1   13   17   27 o   3.9580   1.2240   3.7030   1.6600   4.2140   1.7980 -0.5108000 2.447000 
1 1 1   13   17   28 o   9.9380   1.2180   9.2060   1.8260   10.670   1.6130 -1.465000 2.436000 
1 1 1   13   17   29 o   4.5030   1.4520   4.9580   2.1690   4.0480   1.9320 0.9096000 2.905000 
1 1 1   13   17   30 o   2.8930   1.0120   2.8600   1.4180   2.9250   1.4450 -0.6472000E-01 2.024000 
1 1 1   13   17   31 o   2.1050   0.7579   2.1540   1.0940   2.0560   1.0490 0.9716000E-01 1.516000 
1 1 1   13   19    0 o   36.440   0.3532   36.120   0.4975   36.760   0.5015 -0.6474000 0.7064000 
1 1 1   13   19    1 o   31.410   0.3887   31.740   0.5092   31.070   0.5875 0.6689000 0.7775000 
1 1 1   13   19    2 o   40.770   0.4617   41.580   0.7156   39.960   0.5836 1.621000 0.9234000 
1 1 1   13   19    3 o   13.760   0.8086   13.290   1.1510   14.230   1.1350 -0.9466000 1.617000 
1 1 1   13   19    4 o   12.360   0.9037   12.930   1.1930   11.790   1.3580 1.133000 1.807000 
1 1 1   13   19    5 o   39.410   0.4227   39.210   0.5864   39.600   0.6090 -0.3913000 0.8454000 
1 1 1   13   19    6 o   23.060   0.4331   22.920   0.5998   23.200   0.6251 -0.2769000 0.8663000 
1 1 1   13   19    7 f   24.690   0.4085   24.010   0.5717   25.380   0.5837 -1.377000 0.8170000 
1 1 1   13   19    8 o   18.140   0.5652   18.110   0.7734   18.180   0.8245 -0.7085000E-01 1.130000 
1 1 1   13   19    9 o   11.270   0.8725   10.540   1.2690   11.990   1.1980 -1.454000 1.745000 
1 1 1   13   19   10 o   9.4980   1.0200   10.080   1.2640   8.9180   1.6010 1.162000 2.039000 
1 1 1   13   19   11 o   16.810   0.5356   17.890   0.7050   15.740   0.8063 2.154000 1.071000 
1 1 1   13   19   12 o   29.010   0.3714   29.690   0.5126   28.340   0.5377 1.357000 0.7428000 
1 1 1   13   19   13 o   6.3820   1.2990   7.7320   1.6850   5.0320   1.9770 2.700000 2.597000 
1 1 1   13   19   14 o   5.4760   1.3620   5.7540   1.8700   5.1970   1.9810 0.5570000 2.724000 
1 1 1   13   19   15 o   18.280   0.4690   18.150   0.6573   18.420   0.6692 -0.2662000 0.9380000 
1 1 1   13   19   16 o   14.270   0.5788   14.240   0.8091   14.310   0.8280 -0.6733000E-01 1.158000 
1 1 1   13   19   17 o   5.4230   1.2270   6.1430   1.7180   4.7040   1.7520 1.439000 2.453000 
1 1 1   13   19   18 o   7.3650   1.0680   9.6600   1.1570   5.0710   1.7950 4.589000 2.136000 
1 1 1   13   19   19 o   10.220   0.8026   10.090   1.1280   10.340   1.1420 -0.2487000 1.605000 
1 1 1   13   19   20 o   4.3110   1.1990   3.5490   1.5780   5.0720   1.8060 -1.523000 2.398000 
1 1 1   13   19   21 f   8.2020   1.0740   8.1630   1.5150   8.2410   1.5240 -0.7789000E-01 2.149000 
1 1 1   13   19   22 o   4.6400   1.2860   5.4680   1.9080   3.8110   1.7260 1.657000 2.573000 
1 1 1   13   19   23 o   4.7270   1.3520   3.8330   1.7460   5.6200   2.0640 -1.787000 2.703000 
1 1 1   13   19   24 o   4.3150   1.3410   3.9190   1.7930   4.7100   1.9960 -0.7909000 2.683000 
1 1 1   13   19   25 o   11.110   0.8776   11.520   1.1590   10.690   1.3180 0.8289000 1.755000 
1 1 1   13   19   26 o   4.1590   1.2690   3.9970   1.7470   4.3220   1.8420 -0.3248000 2.539000 
1 1 1   13   19   27 o   4.7570   1.4210   4.9260   2.0240   4.5890   1.9960 0.3366000 2.842000 
1 1 1   13   19   28 o   3.9830   1.2700   3.3140   1.5890   4.6520   1.9830 -1.338000 2.541000 
1 1 1   13   19   29 o   2.6030   0.9159   2.4080   1.2090   2.7990   1.3760 -0.3907000 1.832000 
1 1 1   13   19   30 o   2.2360   0.8174   2.2550   1.1610   2.2170   1.1510 0.3800000E-01 1.635000 
1 1 1   13   21    0 o   64.470   0.5127   64.860   0.7249   64.080   0.7252 0.7788000 1.025000 
1 1 1   13   21    1 o   9.0680   1.1320   10.100   1.3610   8.0340   1.8100 2.068000 2.265000 
1 1 1   13   21    2 o   12.110   0.8288   12.690   1.0640   11.530   1.2710 1.152000 1.658000 
1 1 1   13   21    3 o   39.280   0.4053   39.210   0.5650   39.350   0.5814 -0.1416000 0.8107000 
1 1 1   13   21    4 o   10.060   0.9893   9.7050   1.4230   10.420   1.3750 -0.7157000 1.979000 
1 1 1   13   21    5 o   24.010   0.4583   24.190   0.6323   23.820   0.6635 0.3679000 0.9165000 
1 1 1   13   21    6 o   17.270   0.5148   17.730   0.6732   16.820   0.7790 0.9064000 1.030000 
1 1 1   13   21    7 o   14.620   0.5760   14.300   0.8015   14.940   0.8275 -0.6444000 1.152000 
1 1 1   13   21    8 o   6.7250   1.1740   5.3710   1.7700   8.0790   1.5420 -2.708000 2.347000 
1 1 1   13   21    9 o   10.240   0.8252   10.150   1.1040   10.330   1.2270 -0.1783000 1.650000 
1 1 1   13   21   10 o   24.960   0.4368   24.870   0.5726   25.050   0.6597 -0.1751000 0.8735000 
1 1 1   13   21   11 o   10.510   0.8978   10.320   1.1520   10.710   1.3770 -0.3887000 1.796000 
1 1 1   13   21   12 o   2.8740   0.9799   2.7120   1.3270   3.0360   1.4420 -0.3238000 1.960000 
1 1 1   13   21   13 o   5.5460   1.2680   5.7400   1.7660   5.3510   1.8190 0.3889000 2.535000 
1 1 1   13   21   14 o   13.740   0.6268   13.220   0.8988   14.260   0.8737 -1.040000 1.254000 
1 1 1   13   21   15 o   13.080   0.6379   13.630   0.8331   12.520   0.9662 1.105000 1.276000 
1 1 1   13   21   16 o   9.1120   0.9509   8.7800   1.3730   9.4440   1.3160 -0.6639000 1.902000 
1 1 1   13   21   17 o   10.300   0.8161   10.420   1.1170   10.180   1.1900 0.2449000 1.632000 
1 1 1   13   21   18 o   4.9980   1.2520   5.7540   1.7990   4.2420   1.7410 1.513000 2.504000 
1 1 1   13   21   19 o   4.0170   1.1840   3.2720   1.5150   4.7620   1.8190 -1.491000 2.368000 
1 1 1   13   21   20 f   5.1640   1.3540   5.5500   1.9150   4.7780   1.9140 0.7721000 2.708000 
1 1 1   13   21   21 o   3.6950   1.1600   2.9720   1.4300   4.4180   1.8280 -1.446000 2.320000 
1 1 1   13   21   22 o   4.2570   1.3340   4.1310   1.8610   4.3830   1.9120 -0.2518000 2.668000 
1 1 1   13   21   23 o   5.0690   1.3240   4.0950   1.7660   6.0420   1.9730 -1.947000 2.647000 
1 1 1   13   21   24 o   4.9670   1.3540   5.7380   1.9970   4.1950   1.8280 1.543000 2.707000 
1 1 1   13   21   25 o   4.6410   1.3720   5.3150   2.0590   3.9660   1.8130 1.349000 2.744000 
1 1 1   13   21   26 o   3.3890   1.1510   3.2230   1.5580   3.5550   1.6940 -0.3316000 2.302000 
1 1 1   13   21   27 o   3.2650   1.1100   3.5790   1.6750   2.9500   1.4580 0.6289000 2.221000 
1 1 1   13   21   28 o   3.6320   1.1240   4.6490   1.8360   2.6160   1.2980 2.033000 2.248000 
1 1 1   13   23    0 o   7.1720   1.2540   8.9340   1.7730   5.4100   1.7740 3.524000 2.509000 
1 1 1   13   23    1 o   15.400   0.6515   14.850   1.0810   15.940   0.7274 -1.093000 1.303000 
1 1 1   13   23    2 o   15.220   0.6585   15.820   1.0400   14.620   0.8083 1.202000 1.317000 
1 1 1   13   23    3 o   8.8630   1.1580   10.490   1.5350   7.2390   1.7330 3.248000 2.315000 
1 1 1   13   23    4 o   12.400   0.8726   10.910   1.4770   13.890   0.9291 -2.984000 1.745000 
1 1 1   13   23    5 f   15.870   0.6986   15.950   1.0110   15.790   0.9646 0.1597000 1.397000 
1 1 1   13   23    6 o   25.580   0.4918   25.260   0.7292   25.890   0.6601 -0.6297000 0.9836000 
1 1 1   13   23    7 o   25.290   0.4959   25.530   0.7330   25.060   0.6681 0.4674000 0.9918000 
1 1 1   13   23    8 o   12.670   0.6688   11.750   0.9785   13.590   0.9121 -1.838000 1.338000 
1 1 1   13   23    9 o   8.1090   1.0750   10.320   1.1170   5.8950   1.8360 4.427000 2.149000 
1 1 1   13   23   10 o   6.2040   1.2580   6.1630   1.7380   6.2450   1.8180 -0.8187000E-01 2.515000 
1 1 1   13   23   11 o   4.7490   1.2590   4.5910   1.7330   4.9060   1.8270 -0.3147000 2.518000 
1 1 1   13   23   12 o   8.4480   0.9975   7.7530   1.4440   9.1430   1.3760 -1.389000 1.995000 
1 1 1   13   23   13 f   14.640   0.5999   14.770   0.7872   14.520   0.9053 0.2435000 1.200000 
1 1 1   13   23   14 o   5.0510   1.1740   6.7270   1.7500   3.3760   1.5650 3.350000 2.348000 
1 1 1   13   23   15 f   3.6340   1.1470   3.2450   1.5160   4.0230   1.7210 -0.7786000 2.294000 
1 1 1   13   23   16 o   4.1980   1.2290   4.5650   1.7930   3.8300   1.6820 0.7346000 2.459000 
1 1 1   13   23   17 f   8.4450   1.1930   7.6400   1.7640   9.2500   1.6070 -1.610000 2.386000 
1 1 1   13   23   18 o   13.030   0.7839   13.350   1.0690   12.710   1.1470 0.6422000 1.568000 
1 1 1   13   23   19 o   8.9830   1.0920   9.8970   1.3630   8.0700   1.7070 1.827000 2.185000 
1 1 1   13   23   20 o   7.3950   1.4980   8.2450   2.0540   6.5450   2.1800 1.699000 2.995000 
1 1 1   13   23   21 f   11.340   0.9129   10.350   1.3620   12.330   1.2160 -1.979000 1.826000 
1 1 1   13   23   22 o   3.0840   1.0520   3.4230   1.6050   2.7450   1.3610 0.6777000 2.104000 
1 1 1   13   23   23 o   6.8900   1.4900   6.2320   2.1700   7.5480   2.0410 -1.316000 2.979000 
1 1 1   13   23   24 o   4.0420   1.2830   4.8320   2.0210   3.2530   1.5810 1.579000 2.566000 
1 1 1   13   23   25 f   2.4630   0.8849   2.2920   1.1690   2.6330   1.3290 -0.3413000 1.770000 
1 1 1   13   23   26 o   2.2180   0.8018   2.1330   1.0930   2.3020   1.1730 -0.1688000 1.604000 
1 1 1   13   25    0 o   8.5590   1.0940   6.8390   1.7700   10.280   1.2860 -3.440000 2.188000 
1 1 1   13   25    1 o   5.5100   1.2260   4.7930   1.7480   6.2260   1.7180 -1.432000 2.451000 
1 1 1   13   25    2 o   15.470   0.5383   14.860   0.7775   16.080   0.7446 -1.219000 1.077000 
1 1 1   13   25    3 o   30.320   0.3644   30.690   0.5000   29.950   0.5303 0.7462000 0.7288000 
1 1 1   13   25    4 o   11.500   0.7443   11.130   1.0500   11.870   1.0550 -0.7402000 1.489000 
1 1 1   13   25    5 o   12.110   0.7094   12.670   0.8993   11.560   1.0970 1.111000 1.419000 
1 1 1   13   25    6 o   10.410   0.8174   10.150   1.1340   10.680   1.1780 -0.5377000 1.635000 
1 1 1   13   25    7 o   31.200   0.3598   31.240   0.4996   31.160   0.5179 0.8183000E-01 0.7196000 
1 1 1   13   25    8 o   13.680   0.6395   14.450   0.8173   12.900   0.9839 1.551000 1.279000 
1 1 1   13   25    9 o   6.1340   1.1990   8.0020   1.6340   4.2660   1.7540 3.736000 2.397000 
1 1 1   13   25   10 o   5.2250   1.4220   5.5950   2.1520   4.8540   1.8590 0.7410000 2.843000 
1 1 1   13   25   11 o   13.550   0.8088   14.310   1.2320   12.780   1.0480 1.537000 1.618000 
1 1 1   13   25   12 o   12.680   0.8989   12.330   1.4610   13.030   1.0480 -0.6965000 1.798000 
1 1 1   13   25   13 o   6.1810   1.4420   5.0010   2.2390   7.3620   1.8180 -2.361000 2.884000 
1 1 1   13   25   14 o   7.1950   1.6330   7.4320   2.6060   6.9580   1.9690 0.4742000 3.266000 
1 1 1   13   25   15 o   4.7110   1.4710   4.8410   2.2350   4.5820   1.9130 0.2581000 2.942000 
1 1 1   13   25   16 o   10.520   1.2360   10.820   2.0440   10.220   1.3910 0.6015000 2.472000 
1 1 1   13   25   17 o   10.030   1.3900   9.3880   2.2430   10.680   1.6440 -1.290000 2.781000 
1 1 1   13   25   18 o   3.4900   1.2000   3.5820   1.7470   3.3980   1.6460 0.1836000 2.400000 
1 1 1   13   25   19 o   3.5250   1.2010   3.9430   1.8740   3.1070   1.5010 0.8365000 2.401000 
1 1 1   13   25   20 o   3.4290   1.1790   3.7850   1.8280   3.0730   1.4890 0.7126000 2.358000 
1 1 1   13   25   21 o   3.9010   1.3580   4.5810   2.2200   3.2220   1.5630 1.359000 2.715000 
1 1 1   13   25   22 o   4.4740   1.4980   5.3660   2.4760   3.5820   1.6860 1.784000 2.996000 
1 1 1   13   25   23 o   2.7440   0.9767   2.7270   1.3810   2.7610   1.3810 -0.3424000E-01 1.953000 
1 1 1   13   25   24 o   2.7780   0.9887   2.8650   1.4430   2.6920   1.3520 0.1730000 1.977000 
1 1 1   13   27    0 o   13.420   0.6181   13.310   0.8813   13.540   0.8669 -0.2345000 1.236000 
1 1 1   13   27    1 o   3.9140   1.1860   3.8660   1.6630   3.9620   1.6910 -0.9615000E-01 2.372000 
1 1 1   13   27    2 o   8.8890   1.0290   6.9180   1.7110   10.860   1.1440 -3.943000 2.058000 
1 1 1   13   27    3 o   19.060   0.5031   19.870   0.6500   18.260   0.7681 1.608000 1.006000 
1 1 1   13   27    4 o   9.8430   0.9377   10.060   1.2090   9.6250   1.4340 0.4360000 1.875000 
1 1 1   13   27    5 o   4.0040   1.2130   3.9630   1.6840   4.0460   1.7450 -0.8353000E-01 2.425000 
1 1 1   13   27    6 o   7.7290   1.1810   7.8140   1.5940   7.6440   1.7420 0.1703000 2.362000 
1 1 1   13   27    7 o   9.6430   0.9535   8.6320   1.4260   10.660   1.2660 -2.024000 1.907000 
1 1 1   13   27    8 o   8.1630   1.2570   7.5500   1.8210   8.7760   1.7340 -1.226000 2.515000 
1 1 1   13   27    9 o   17.640   0.6088   17.860   0.8188   17.410   0.9012 0.4561000 1.218000 
1 1 1   13   27   10 o   7.0130   1.3840   7.9380   1.8530   6.0890   2.0570 1.849000 2.768000 
1 1 1   13   27   11 o   8.9790   1.2010   8.9950   1.6980   8.9640   1.6990 0.3132000E-01 2.402000 
1 1 1   13   27   12 f   6.2980   1.3300   6.6440   1.8610   5.9520   1.9020 0.6926000 2.661000 
1 1 1   13   27   13 o   7.4000   1.2770   7.9300   1.7100   6.8700   1.8970 1.060000 2.554000 
1 1 1   13   27   14 o   5.5040   1.4800   5.2960   2.0800   5.7120   2.1050 -0.4157000 2.959000 
1 1 1   13   27   15 o   4.4630   1.3740   4.4380   1.9310   4.4880   1.9560 -0.5071000E-01 2.748000 
1 1 1   13   27   16 o   4.6740   1.2830   3.3770   1.5860   5.9710   2.0160 -2.594000 2.565000 
1 1 1   13   27   17 o   9.6730   1.1510   12.230   1.1490   7.1160   1.9960 5.114000 2.303000 
1 1 1   13   27   18 o   4.4250   1.3940   4.5220   2.0230   4.3280   1.9190 0.1942000 2.788000 
1 1 1   13   27   19 o   3.5960   1.2010   3.8190   1.7720   3.3720   1.6200 0.4471000 2.401000 
1 1 1   13   27   20 o   3.0930   1.0520   2.9560   1.4370   3.2290   1.5380 -0.2735000 2.105000 
1 1 1   13   27   21 o   2.7710   0.9782   2.2730   1.1580   3.2690   1.5770 -0.9959000 1.956000 
1 1 1   13   27   22 o   2.6220   0.9301   2.4790   1.2520   2.7640   1.3750 -0.2855000 1.860000 
1 1 1   13   29    0 o   4.4350   1.2720   3.4620   1.6210   5.4070   1.9610 -1.946000 2.544000 
1 1 1   13   29    1 o   4.0720   1.2670   4.0170   1.7760   4.1270   1.8070 -0.1104000 2.533000 
1 1 1   13   29    2 o   5.6150   1.2880   7.5790   1.8910   3.6510   1.7490 3.928000 2.576000 
1 1 1   13   29    3 o   10.960   1.0760   12.650   1.1870   9.2590   1.7940 3.395000 2.151000 
1 1 1   13   29    4 o   6.7920   1.3420   6.5070   1.8510   7.0760   1.9440 -0.5692000 2.684000 
1 1 1   13   29    5 o   12.520   0.7697   11.570   1.1260   13.460   1.0500 -1.880000 1.539000 
1 1 1   13   29    6 o   3.9250   1.1970   4.6450   1.8400   3.2050   1.5300 1.440000 2.394000 
1 1 1   13   29    7 o   4.6150   1.2480   3.2300   1.5260   5.9990   1.9760 -2.769000 2.497000 
1 1 1   13   29    8 o   12.160   0.8066   12.830   1.0410   11.490   1.2320 1.339000 1.613000 
1 1 1   13   29    9 o   6.3210   1.3430   5.8620   1.8990   6.7800   1.9010 -0.9174000 2.687000 
1 1 1   13   29   10 o   4.3300   1.3470   3.9210   1.8000   4.7390   2.0040 -0.8183000 2.693000 
1 1 1   13   29   11 o   14.660   0.8302   14.770   1.1600   14.560   1.1880 0.2119000 1.660000 
1 1 1   13   29   12 o   4.2670   1.3220   3.5070   1.6680   5.0260   2.0520 -1.519000 2.644000 
1 1 1   13   29   13 o   4.6550   1.3330   5.1360   1.9390   4.1740   1.8290 0.9623000 2.666000 
1 1 1   13   29   14 o   4.6970   1.3120   3.6030   1.6550   5.7920   2.0370 -2.189000 2.624000 
1 1 1   13   29   15 o   3.1350   1.0850   3.3760   1.6260   2.8930   1.4380 0.4821000 2.171000 
1 1 1   13   29   16 o   4.4410   1.3190   5.5450   2.0900   3.3380   1.6080 2.207000 2.637000 
1 1 1   13   29   17 o   3.0320   1.0300   3.0400   1.4580   3.0230   1.4570 0.1756000E-01 2.061000 
1 1 1   13   29   18 o   2.1130   0.7619   2.0900   1.0660   2.1370   1.0890 -0.4731000E-01 1.524000 
1 1 1   13   29   19 o   2.3000   0.8271   2.4250   1.2250   2.1750   1.1120 0.2509000 1.654000 
1 1 1   13   31    0 o   8.7200   1.0940   7.6670   1.7030   9.7720   1.3740 -2.104000 2.188000 
1 1 1   13   31    1 f   8.8240   1.0930   7.9790   1.6530   9.6690   1.4320 -1.690000 2.187000 
1 1 1   13   31    2 o   8.1680   1.2460   10.380   1.2900   5.9580   2.1330 4.420000 2.493000 
1 1 1   13   31    3 o   15.050   0.7294   14.920   0.9265   15.180   1.1270 -0.2582000 1.459000 
1 1 1   13   31    4 o   14.390   0.8221   14.080   1.1530   14.710   1.1720 -0.6373000 1.644000 
1 1 1   13   31    5 o   5.4940   1.3730   7.1810   2.0870   3.8060   1.7840 3.376000 2.746000 
1 1 1   13   31    6 f   6.1400   1.5410   5.7830   2.1390   6.4960   2.2180 -0.7131000 3.082000 
1 1 1   13   31    7 o   5.6910   1.4980   5.9860   2.1320   5.3950   2.1040 0.5910000 2.995000 
1 1 1   13   31    8 f   3.9810   1.2170   3.0360   1.4640   4.9250   1.9440 -1.889000 2.434000 
1 1 1   13   31    9 o   3.5750   1.1970   3.2290   1.5630   3.9210   1.8140 -0.6927000 2.395000 
1 1 1   13   31   10 o   8.7880   1.3050   10.200   1.5500   7.3770   2.1000 2.822000 2.610000 
1 1 1   13   31   11 o   3.8790   1.2570   4.2580   1.8780   3.5010   1.6720 0.7569000 2.514000 
1 1 1   13   31   12 o   3.6550   1.1460   4.6310   1.8670   2.6790   1.3300 1.951000 2.292000 
1 1 1   13   31   13 o   2.6640   0.9321   2.6290   1.3020   2.6990   1.3340 -0.6946000E-01 1.864000 
1 1 1   13   31   14 o   3.5060   1.1320   3.7160   1.6600   3.2960   1.5400 0.4201000 2.264000 
1 1 1   13   31   15 o   2.6640   0.9408   2.6030   1.3020   2.7260   1.3580 -0.1230000 1.882000 
1 1 1   13   33    0 o   3.3650   1.1320   3.3900   1.6030   3.3410   1.5990 0.4955000E-01 2.264000 
1 1 1   13   33    1 f   3.1800   1.0860   2.8060   1.3880   3.5530   1.6700 -0.7471000 2.172000 
1 1 1   13   33    2 o   4.6170   1.3490   5.2580   2.0110   3.9750   1.7990 1.283000 2.698000 
1 1 1   13   33    3 o   5.4120   1.4460   5.0370   2.0000   5.7870   2.0880 -0.7505000 2.892000 
1 1 1   13   33    4 o   3.0800   1.0430   3.2390   1.5250   2.9200   1.4240 0.3186000 2.087000 
1 1 1   13   33    5 o   4.9610   1.3370   4.9300   1.8680   4.9920   1.9140 -0.6156000E-01 2.674000 
1 1 1   13   33    6 o   3.0700   1.0430   2.9430   1.4250   3.1970   1.5240 -0.2536000 2.087000 
1 1 1   13   33    7 o   2.6640   0.9306   2.9380   1.4210   2.3900   1.2020 0.5483000 1.861000 
1 1 1   13   33    8 o   2.1760   0.7810   2.0500   1.0460   2.3010   1.1600 -0.2513000 1.562000 
1 1 1   13   33    9 o   2.3770   0.8459   2.2070   1.1190   2.5460   1.2690 -0.3397000 1.692000 
1 1 1   13   33   10 o   2.7160   0.9425   3.3160   1.5460   2.1170   1.0780 1.199000 1.885000 
1 1 1   14    0    0 o  115.600   1.0260  115.600   1.0260  115.600   1.0260 0.000000 0.000000 
1 1 1   14    0    1 o  106.600   0.9469  106.600   0.9469  106.600   0.9469 -0.000000 0.000000 
1 1 1   14    0    2 o   35.190   0.4645   35.190   0.4645   35.190   0.4645 0.000000 0.000000 
1 1 1   14    0    3 o   65.090   0.8250   65.090   0.8250   65.090   0.8250 -0.000000 0.000000 
1 1 1   14    0    4 o  111.000   0.9878  111.000   0.9878  111.000   0.9878 -0.000000 0.000000 
1 1 1   14    0    5 o   32.260   0.3227   32.260   0.3227   32.260   0.3227 -0.000000 0.000000 
1 1 1   14    0    6 o   35.140   0.3464   35.140   0.3464   35.140   0.3464 0.000000 0.000000 
1 1 1   14    0    7 o   67.050   0.6073   67.050   0.6073   67.050   0.6073 0.000000 0.000000 
1 1 1   14    0    8 o   86.740   1.1030   86.740   1.1030   86.740   1.1030 -0.000000 0.000000 
1 1 1   14    0    9 o   66.780   0.6067   66.780   0.6067   66.780   0.6067 -0.000000 0.000000 
1 1 1   14    0   10 o   29.890   0.3454   29.890   0.3454   29.890   0.3454 -0.000000 0.000000 
1 1 1   14    0   11 o   51.090   0.4826   51.090   0.4826   51.090   0.4826 0.000000 0.000000 
1 1 1   14    0   12 o   47.260   0.4592   47.260   0.4592   47.260   0.4592 0.000000 0.000000 
1 1 1   14    0   13 o   65.140   0.6007   65.140   0.6007   65.140   0.6007 0.000000 0.000000 
1 1 1   14    0   14 f   63.360   0.5907   63.360   0.5907   63.360   0.5907 -0.000000 0.000000 
1 1 1   14    0   15 o   60.870   0.5757   60.870   0.5757   60.870   0.5757 -0.000000 0.000000 
1 1 1   14    0   16 o   48.410   0.4952   48.410   0.4952   48.410   0.4952 -0.000000 0.000000 
1 1 1   14    0   17 o   3.3850   2.0650   3.3850   2.0650   3.3850   2.0650 0.000000 0.000000 
1 1 1   14    0   18 o   88.310   0.8070   88.310   0.8070   88.310   0.8070 -0.000000 0.000000 
1 1 1   14    0   19 f   22.510   0.5553   22.510   0.5553   22.510   0.5553 -0.000000 0.000000 
1 1 1   14    0   20 f   11.680   0.9539   11.680   0.9539   11.680   0.9539 0.000000 0.000000 
1 1 1   14    0   21 o   9.2710   1.2320   9.2710   1.2320   9.2710   1.2320 -0.000000 0.000000 
1 1 1   14    0   22 o   17.630   0.9051   17.630   0.9051   17.630   0.9051 0.000000 0.000000 
1 1 1   14    0   23 o   13.310   0.7707   13.310   0.7707   13.310   0.7707 -0.000000 0.000000 
1 1 1   14    0   24 o   2.4150   1.5890   2.4150   1.5890   2.4150   1.5890 -0.000000 0.000000 
1 1 1   14    0   25 o   2.5580   1.6490   2.5580   1.6490   2.5580   1.6490 -0.000000 0.000000 
1 1 1   14    0   26 o   2.4820   1.6220   2.4820   1.6220   2.4820   1.6220 -0.000000 0.000000 
1 1 1   14    0   27 o   16.440   0.6802   16.440   0.6802   16.440   0.6802 0.000000 0.000000 
1 1 1   14    0   28 o   14.760   0.7837   14.760   0.7837   14.760   0.7837 -0.000000 0.000000 
1 1 1   14    0   29 o   3.8440   2.2730   3.8440   2.2730   3.8440   2.2730 -0.000000 0.000000 
1 1 1   14    0   30 o   2.3180   1.6390   2.3180   1.6390   2.3180   1.6390 -0.000000 0.000000 
1 1 1   14    0   31 f   4.3400   2.2550   4.3400   2.2550   4.3400   2.2550 -0.000000 0.000000 
1 1 1   14    0   32 o   2.7800   1.8330   2.7800   1.8330   2.7800   1.8330 -0.000000 0.000000 
1 1 1   14    0   33 o   2.5200   1.7280   2.5200   1.7280   2.5200   1.7280 -0.000000 0.000000 
1 1 1   14    0   34 o   2.1640   1.5740   2.1640   1.5740   2.1640   1.5740 0.000000 0.000000 
1 1 1   14    0   35 o   6.7750   2.2710   6.7750   2.2710   6.7750   2.2710 -0.000000 0.000000 
1 1 1   14    2    0 o   53.640   0.3925   53.490   0.5535   53.790   0.5566 -0.2997000 0.7850000 
1 1 1   14    2    1 o   38.270   0.2866   37.640   0.3991   38.890   0.4115 -1.250000 0.5733000 
1 1 1   14    2    2 o   46.660   0.3012   47.420   0.4320   45.900   0.4197 1.527000 0.6023000 
1 1 1   14    2    3 o   41.590   0.3173   41.590   0.4484   41.580   0.4492 0.1071000E-01 0.6347000 
1 1 1   14    2    4 o   54.700   0.3514   55.090   0.5001   54.310   0.4938 0.7804000 0.7028000 
1 1 1   14    2    5 f   31.810   0.2280   32.110   0.3238   31.520   0.3211 0.5932000 0.4561000 
1 1 1   14    2    6 o   65.610   0.4197   65.890   0.5961   65.340   0.5911 0.5417000 0.8395000 
1 1 1   14    2    7 o   49.130   0.3726   49.420   0.5304   48.830   0.5235 0.5976000 0.7453000 
1 1 1   14    2    8 o   40.320   0.3934   40.080   0.5516   40.570   0.5611 -0.4953000 0.7868000 
1 1 1   14    2    9 o   25.100   0.2292   24.860   0.3211   25.350   0.3271 -0.4881000 0.4584000 
1 1 1   14    2   10 o   29.010   0.2422   29.120   0.3420   28.910   0.3431 0.2063000 0.4844000 
1 1 1   14    2   11 o   23.390   0.2473   23.560   0.3455   23.230   0.3538 0.3344000 0.4945000 
1 1 1   14    2   12 o   6.3730   0.7464   6.7200   0.9733   6.0260   1.1320 0.6938000 1.493000 
1 1 1   14    2   13 o   10.210   0.5056   9.9700   0.7234   10.460   0.7067 -0.4882000 1.011000 
1 1 1   14    2   14 o   33.250   0.2823   33.350   0.3952   33.160   0.4032 0.1913000 0.5645000 
1 1 1   14    2   15 o   59.490   0.4003   59.880   0.5687   59.090   0.5634 0.7872000 0.8006000 
1 1 1   14    2   16 o   13.380   0.6902   11.560   0.9210   15.210   1.0280 -3.651000 1.380000 
1 1 1   14    2   17 o   40.260   0.6407  ?   ?    40.260   0.6407      ?      ? 
1 1 1   14    2   18 o   49.370   0.3656   49.390   0.5176   49.340   0.5165 0.5359000E-01 0.7312000 
1 1 1   14    2   19 f   19.110   0.4320   19.050   0.5902   19.160   0.6311 -0.1088000 0.8641000 
1 1 1   14    2   20 o   12.130   0.6517   11.690   0.9622   12.570   0.8793 -0.8795000 1.303000 
1 1 1   14    2   21 o   20.670   0.4764   20.830   0.6609   20.520   0.6862 0.3127000 0.9528000 
1 1 1   14    2   22 o   19.790   0.6180   19.830   0.8397   19.740   0.9071 0.8341000E-01 1.236000 
1 1 1   14    2   23 o   7.4880   0.9747   7.0240   1.4230   7.9520   1.3320 -0.9288000 1.949000 
1 1 1   14    2   24 o   9.0810   0.7796   8.9210   1.0810   9.2400   1.1240 -0.3189000 1.559000 
1 1 1   14    2   25 o   8.5510   0.8512   8.8080   1.1120   8.2940   1.2890 0.5143000 1.702000 
1 1 1   14    2   26 o   6.9550   1.0510   6.8420   1.5080   7.0680   1.4630 -0.2260000 2.102000 
1 1 1   14    2   27 o   10.330   0.7324   10.790   0.9754   9.8730   1.0930 0.9169000 1.465000 
1 1 1   14    2   28 o   4.1980   1.1850   4.2270   1.6690   4.1690   1.6830 0.5869000E-01 2.370000 
1 1 1   14    2   29 o   5.6160   1.4540   5.1670   2.0110   6.0650   2.1020 -0.8984000 2.909000 
1 1 1   14    2   30 o   3.8570   1.1800   2.7550   1.3640   4.9600   1.9260 -2.204000 2.360000 
1 1 1   14    2   31 o   3.3730   1.1040   3.7690   1.6790   2.9780   1.4350 0.7902000 2.209000 
1 1 1   14    2   32 o   4.3750   1.2270   2.9950   1.4430   5.7550   1.9850 -2.760000 2.454000 
1 1 1   14    2   33 o   3.3800   1.1650   3.5200   1.6750   3.2410   1.6190 0.2785000 2.330000 
1 1 1   14    2   34 o   4.3060   1.3820   4.1600   1.8660   4.4530   2.0390 -0.2925000 2.764000 
1 1 1   14    2   35 o   2.9350   1.0100   3.1540   1.5070   2.7160   1.3440 0.4381000 2.019000 
1 1 1   14    4    0 o   48.910   0.3398   48.600   0.4430   49.220   0.5153 -0.6214000 0.6796000 
1 1 1   14    4    1 o   40.900   0.3573   38.700   0.4180   43.100   0.5795 -4.397000 0.7146000 
1 1 1   14    4    2 o   60.390   0.4469   60.580   0.6338   60.200   0.6302 0.3792000 0.8938000 
1 1 1   14    4    3 o   43.740   0.3373   43.440   0.4739   44.040   0.4800 -0.5985000 0.6745000 
1 1 1   14    4    4 o   25.840   0.2083   25.950   0.2937   25.730   0.2956 0.2262000 0.4167000 
1 1 1   14    4    5 o   88.200   0.5589   88.780   0.7956   87.620   0.7852 1.160000 1.118000 
1 1 1   14    4    6 o   12.290   0.3778   11.350   0.6316   13.230   0.4148 -1.885000 0.7556000 
1 1 1   14    4    7 o   34.050   0.2852   33.960   0.4012   34.150   0.4056 -0.1874000 0.5705000 
1 1 1   14    4    8 o   17.500   0.2936   17.460   0.4050   17.550   0.4251 -0.9541000E-01 0.5871000 
1 1 1   14    4    9 o   33.550   0.2738   32.950   0.3558   34.140   0.4162 -1.194000 0.5475000 
1 1 1   14    4   10 o   3.3150   0.8769   2.9310   1.2080   3.6990   1.2720 -0.7674000 1.754000 
1 1 1   14    4   11 o   31.640   0.2589   31.790   0.3669   31.500   0.3653 0.2879000 0.5178000 
1 1 1   14    4   12 o   40.070   0.2932   40.120   0.4118   40.030   0.4175 0.8801000E-01 0.5864000 
1 1 1   14    4   13 o   36.580   0.2882   36.910   0.4110   36.260   0.4040 0.6533000 0.5763000 
1 1 1   14    4   14 o   18.600   0.3457   18.710   0.4748   18.490   0.5027 0.2183000 0.6915000 
1 1 1   14    4   15 o   33.710   0.3042   33.590   0.4257   33.840   0.4346 -0.2570000 0.6084000 
1 1 1   14    4   16 o   37.220   0.3653   37.460   0.5046   36.990   0.5284 0.4689000 0.7307000 
1 1 1   14    4   17 o   36.950   0.3808   37.210   0.5434   36.680   0.5335 0.5307000 0.7615000 
1 1 1   14    4   18 o   19.630   0.4145   19.860   0.5612   19.410   0.6101 0.4505000 0.8290000 
1 1 1   14    4   19 f   15.980   0.5121   15.920   0.7147   16.030   0.7337 -0.1123000 1.024000 
1 1 1   14    4   20 o   34.650   0.3300   34.320   0.4612   34.980   0.4720 -0.6626000 0.6599000 
1 1 1   14    4   21 o   14.410   0.8221   14.890   1.0880   13.930   1.2330 0.9663000 1.644000 
1 1 1   14    4   22 o   6.9240   1.2400   7.9640   1.5460   5.8840   1.9390 2.079000 2.480000 
1 1 1   14    4   23 o   17.280   0.4433   18.120   0.5745   16.450   0.6752 1.664000 0.8866000 
1 1 1   14    4   24 o   10.420   0.6840   10.290   0.9554   10.550   0.9791 -0.2564000 1.368000 
1 1 1   14    4   25 o   10.380   0.7280   11.220   0.9101   9.5470   1.1360 1.670000 1.456000 
1 1 1   14    4   26 o   12.310   0.6019   12.130   0.8571   12.490   0.8453 -0.3585000 1.204000 
1 1 1   14    4   27 o   9.0490   0.8263   9.5840   1.1070   8.5150   1.2270 1.069000 1.653000 
1 1 1   14    4   28 o   9.3120   0.8509   8.9790   1.2150   9.6440   1.1920 -0.6653000 1.702000 
1 1 1   14    4   29 o   5.7500   1.4260   5.7940   1.9980   5.7060   2.0360 0.8802000E-01 2.853000 
1 1 1   14    4   30 o   4.1960   1.1910   5.0710   1.8200   3.3210   1.5370 1.750000 2.382000 
1 1 1   14    4   31 o   4.2730   1.2600   4.9120   1.8970   3.6340   1.6590 1.278000 2.520000 
1 1 1   14    4   32 o   4.3860   1.2780   5.0770   1.9270   3.6950   1.6800 1.383000 2.556000 
1 1 1   14    4   33 o   3.4600   1.2010   3.4090   1.6710   3.5120   1.7250 -0.1028000 2.402000 
1 1 1   14    4   34 o   5.9950   1.3440   7.2620   1.8850   4.7270   1.9150 2.536000 2.687000 
1 1 1   14    4   35 o   2.7550   0.9615   2.6530   1.3180   2.8580   1.4010 -0.2053000 1.923000 
1 1 1   14    6    0 o   45.240   0.3479   45.760   0.4972   44.710   0.4866 1.051000 0.6957000 
1 1 1   14    6    1 o   61.100   0.4546   60.730   0.6388   61.470   0.6470 -0.7395000 0.9092000 
1 1 1   14    6    2 o   32.420   0.2814   32.040   0.3960   32.790   0.4000 -0.7581000 0.5628000 
1 1 1   14    6    3 o   88.290   0.6463   88.360   0.9147   88.220   0.9132 0.1319000 1.293000 
1 1 1   14    6    4 o   42.010   0.3292   41.860   0.4644   42.160   0.4667 -0.2981000 0.6584000 
1 1 1   14    6    5 o   19.420   0.2542   19.400   0.3607   19.440   0.3584 -0.4009000E-01 0.5085000 
1 1 1   14    6    6 o   7.8060   0.4734   8.2990   0.6213   7.3130   0.7144 0.9865000 0.9468000 
1 1 1   14    6    7 o   17.370   0.3064   17.220   0.4195   17.520   0.4467 -0.2947000 0.6128000 
1 1 1   14    6    8 o   30.670   0.2512   30.840   0.3540   30.490   0.3564 0.3483000 0.5023000 
1 1 1   14    6    9 o   30.070   0.2553   30.540   0.3592   29.610   0.3630 0.9331000 0.5107000 
1 1 1   14    6   10 o   24.830   0.2599   24.880   0.3643   24.790   0.3709 0.8671000E-01 0.5199000 
1 1 1   14    6   11 f   2.5950   0.8336   2.7410   1.2120   2.4490   1.1450 0.2923000 1.667000 
1 1 1   14    6   12 o   15.220   0.3689   15.590   0.5039   14.850   0.5388 0.7404000 0.7378000 
1 1 1   14    6   13 o   74.920   0.4864   74.750   0.6856   75.090   0.6902 -0.3314000 0.9728000 
1 1 1   14    6   14 o   63.450   0.4238   63.790   0.6016   63.110   0.5972 0.6761000 0.8477000 
1 1 1   14    6   15 o   57.250   0.4530   57.210   0.6339   57.290   0.6473 -0.8118000E-01 0.9060000 
1 1 1   14    6   16 f   53.540   0.5514   54.870   0.7679   52.210   0.7914 2.658000 1.103000 
1 1 1   14    6   17 o   21.970   0.4043   21.520   0.5649   22.420   0.5785 -0.8939000 0.8086000 
1 1 1   14    6   18 f   13.710   0.5999   13.320   0.8588   14.090   0.8379 -0.7725000 1.200000 
1 1 1   14    6   19 o   20.080   0.4266   20.140   0.5843   20.020   0.6216 0.1211000 0.8531000 
1 1 1   14    6   20 o   9.1850   0.9942   8.2410   1.5220   10.130   1.2800 -1.889000 1.988000 
1 1 1   14    6   21 o   5.7600   1.4260   4.0720   1.8320   7.4490   2.1860 -3.377000 2.852000 
1 1 1   14    6   22 o   3.2160   1.0270   2.5950   1.2570   3.8380   1.6250 -1.243000 2.054000 
1 1 1   14    6   23 o   14.940   0.5076   14.980   0.6724   14.890   0.7605 0.9025000E-01 1.015000 
1 1 1   14    6   24 o   3.3560   1.0510   2.8460   1.3300   3.8650   1.6270 -1.019000 2.101000 
1 1 1   14    6   25 o   21.810   0.3774   21.250   0.5215   22.360   0.5456 -1.111000 0.7548000 
1 1 1   14    6   26 o   7.9570   0.9606   7.0670   1.4600   8.8480   1.2480 -1.781000 1.921000 
1 1 1   14    6   27 o   9.7880   0.7956   10.290   1.0070   9.2880   1.2320 0.9995000 1.591000 
1 1 1   14    6   28 o   4.3070   1.1870   3.4150   1.5290   5.1990   1.8170 -1.785000 2.375000 
1 1 1   14    6   29 f   3.7020   1.1870   4.5240   1.8940   2.8810   1.4300 1.643000 2.374000 
1 1 1   14    6   30 o   3.1970   1.0620   3.2500   1.5080   3.1450   1.4950 0.1052000 2.123000 
1 1 1   14    6   31 o   4.0230   1.2420   4.0910   1.7620   3.9550   1.7500 0.1366000 2.483000 
1 1 1   14    6   32 o   4.4650   1.2660   3.3590   1.5720   5.5700   1.9850 -2.211000 2.532000 
1 1 1   14    6   33 o   6.1580   1.6730   5.6210   2.2470   6.6950   2.4800 -1.075000 3.346000 
1 1 1   14    6   34 o   2.9450   1.0110   2.5460   1.2720   3.3430   1.5720 -0.7969000 2.023000 
1 1 1   14    6   35 o   3.2570   1.0970   2.1760   1.1080   4.3380   1.8930 -2.163000 2.193000 
1 1 1   14    8    0 o   30.420   0.2717   30.420   0.3827   30.420   0.3859 0.8480000E-02 0.5435000 
1 1 1   14    8    1 f   11.630   0.3732   12.600   0.4954   10.660   0.5584 1.941000 0.7465000 
1 1 1   14    8    2 o   56.640   0.3708   56.130   0.5199   57.160   0.5289 -1.023000 0.7416000 
1 1 1   14    8    3 o   19.380   0.2505   19.270   0.3544   19.490   0.3543 -0.2176000 0.5011000 
1 1 1   14    8    4 o   60.570   0.4276   60.330   0.6448   60.810   0.5617 -0.4768000 0.8551000 
1 1 1   14    8    5 o   48.320   0.3794   48.560   0.5375   48.090   0.5354 0.4700000 0.7587000 
1 1 1   14    8    6 o   51.370   0.3996   51.830   0.5674   50.910   0.5629 0.9197000 0.7993000 
1 1 1   14    8    7 o   52.330   0.3518   52.160   0.4953   52.490   0.4998 -0.3334000 0.7036000 
1 1 1   14    8    8 o   25.010   0.2624   25.100   0.3679   24.920   0.3741 0.1812000 0.5247000 
1 1 1   14    8    9 o   64.140   0.4202   64.190   0.5943   64.090   0.5943 0.1032000 0.8404000 
1 1 1   14    8   10 o   17.280   0.3331   17.530   0.4558   17.040   0.4860 0.4992000 0.6663000 
1 1 1   14    8   11 o   49.720   0.3478   49.760   0.4902   49.690   0.4934 0.7148000E-01 0.6955000 
1 1 1   14    8   12 o   70.270   0.4605   70.460   0.6522   70.080   0.6502 0.3885000 0.9210000 
1 1 1   14    8   13 o   69.120   0.4561   69.590   0.6480   68.650   0.6421 0.9320000 0.9122000 
1 1 1   14    8   14 o   27.550   0.3595   27.680   0.4932   27.420   0.5231 0.2545000 0.7189000 
1 1 1   14    8   15 o   8.9790   1.0760   8.2070   1.6470   9.7510   1.3860 -1.544000 2.153000 
1 1 1   14    8   16 o   8.7580   1.1170   8.4260   1.6110   9.0900   1.5480 -0.6638000 2.234000 
1 1 1   14    8   17 o   13.170   0.6315   14.260   0.7841   12.080   0.9902 2.180000 1.263000 
1 1 1   14    8   18 o   19.080   0.4516   19.020   0.6274   19.150   0.6498 -0.1290000 0.9033000 
1 1 1   14    8   19 o   10.200   0.7846   9.6520   1.1620   10.740   1.0550 -1.091000 1.569000 
1 1 1   14    8   20 o   14.290   0.6847   15.110   0.9225   13.460   1.0120 1.648000 1.369000 
1 1 1   14    8   21 o   7.2090   1.1040   9.7610   1.1500   4.6580   1.8850 5.103000 2.208000 
1 1 1   14    8   22 o   4.2960   1.1620   4.3380   1.6220   4.2550   1.6630 0.8319000E-01 2.323000 
1 1 1   14    8   23 o   9.1820   0.8225   10.170   0.9655   8.1900   1.3320 1.983000 1.645000 
1 1 1   14    8   24 o   15.020   0.5073   15.780   0.6707   14.260   0.7612 1.515000 1.015000 
1 1 1   14    8   25 o   12.880   0.5876   12.290   0.8316   13.470   0.8304 -1.188000 1.175000 
1 1 1   14    8   26 o   5.7110   1.1980   6.0270   1.6520   5.3950   1.7370 0.6313000 2.397000 
1 1 1   14    8   27 o   2.7250   0.9301   2.7400   1.3170   2.7100   1.3130 0.3058000E-01 1.860000 
1 1 1   14    8   28 o   4.3290   1.2640   3.8040   1.6740   4.8540   1.8930 -1.050000 2.527000 
1 1 1   14    8   29 o   7.8390   1.2750   6.5380   2.0220   9.1410   1.5530 -2.603000 2.550000 
1 1 1   14    8   30 o   3.3350   1.0780   4.0860   1.7320   2.5850   1.2840 1.500000 2.156000 
1 1 1   14    8   31 o   3.3990   1.1150   3.6730   1.6570   3.1250   1.4920 0.5478000 2.230000 
1 1 1   14    8   32 f   4.1200   1.3000   3.3560   1.6170   4.8830   2.0360 -1.528000 2.600000 
1 1 1   14    8   33 o   3.3920   1.1390   3.9530   1.7850   2.8320   1.4150 1.121000 2.278000 
1 1 1   14    8   34 f   2.8500   0.9873   2.9530   1.4370   2.7470   1.3540 0.2054000 1.975000 
1 1 1   14   10    0 o   13.560   0.3843   13.870   0.4743   13.250   0.6047 0.6259000 0.7685000 
1 1 1   14   10    1 o   53.530   0.3556   53.230   0.4999   53.840   0.5058 -0.6152000 0.7111000 
1 1 1   14   10    2 o   43.180   0.3048   43.620   0.4327   42.730   0.4293 0.8876000 0.6095000 
1 1 1   14   10    3 o   59.140   0.4499   58.990   0.6330   59.290   0.6396 -0.3068000 0.8999000 
1 1 1   14   10    4 o   7.4250   0.8247   7.2420   1.2460   7.6070   1.0800 -0.3649000 1.649000 
1 1 1   14   10    5 o   29.320   0.2661   29.600   0.3756   29.040   0.3771 0.5627000 0.5323000 
1 1 1   14   10    6 o   28.470   0.2691   28.660   0.3790   28.280   0.3821 0.3883000 0.5381000 
1 1 1   14   10    7 o   46.720   0.3287   46.920   0.4652   46.530   0.4644 0.3953000 0.6573000 
1 1 1   14   10    8 o   58.350   0.3912   58.790   0.5562   57.900   0.5501 0.8877000 0.7823000 
1 1 1   14   10    9 f   55.100   0.3762   55.740   0.5348   54.460   0.5292 1.276000 0.7524000 
1 1 1   14   10   10 o   58.570   0.4263   59.340   0.6469   57.800   0.5554 1.546000 0.8526000 
1 1 1   14   10   11 o   51.730   0.4800   51.410   0.5975   52.050   0.7515 -0.6380000 0.9601000 
1 1 1   14   10   12 o   55.660   0.4413   56.230   0.6235   55.100   0.6246 1.129000 0.8826000 
1 1 1   14   10   13 o   7.5410   1.0720   8.7300   1.2800   6.3520   1.7200 2.377000 2.144000 
1 1 1   14   10   14 o   45.260   0.4145   45.410   0.5870   45.110   0.5853 0.2973000 0.8290000 
1 1 1   14   10   15 o   19.440   0.5393   18.920   0.7969   19.960   0.7269 -1.043000 1.079000 
1 1 1   14   10   16 o   14.310   0.5784   14.520   0.7914   14.090   0.8437 0.4352000 1.157000 
1 1 1   14   10   17 o   19.470   0.4400   19.230   0.6153   19.720   0.6290 -0.4944000 0.8799000 
1 1 1   14   10   18 o   4.0220   1.2230   3.5470   1.6340   4.4960   1.8210 -0.9485000 2.447000 
1 1 1   14   10   19 o   4.6070   1.2750   5.2610   1.8950   3.9530   1.7070 1.307000 2.550000 
1 1 1   14   10   20 o   11.490   0.8173   12.080   0.9358   10.910   1.3400 1.162000 1.635000 
1 1 1   14   10   21 o   16.850   0.4682   16.940   0.6242   16.750   0.6981 0.1936000 0.9365000 
1 1 1   14   10   22 o   5.4370   1.1900   5.6480   1.6210   5.2250   1.7440 0.4236000 2.381000 
1 1 1   14   10   23 o   9.5950   0.7536   10.120   0.9380   9.0690   1.1800 1.053000 1.507000 
1 1 1   14   10   24 o   5.6720   1.1700   5.2100   1.6240   6.1340   1.6840 -0.9233000 2.339000 
1 1 1   14   10   25 o   13.870   0.5535   14.190   0.7289   13.540   0.8331 0.6539000 1.107000 
1 1 1   14   10   26 o   8.5110   0.9506   8.9020   1.2020   8.1210   1.4730 0.7806000 1.901000 
1 1 1   14   10   27 o   3.3590   1.1010   3.2110   1.4890   3.5060   1.6210 -0.2958000 2.201000 
1 1 1   14   10   28 o   3.6490   1.2150   3.1470   1.5360   4.1510   1.8820 -1.003000 2.429000 
1 1 1   14   10   29 o   6.6350   1.2370   8.0740   1.5900   5.1960   1.8950 2.878000 2.474000 
1 1 1   14   10   30 o   3.2980   1.0830   2.4850   1.2440   4.1110   1.7740 -1.626000 2.167000 
1 1 1   14   10   31 o   3.4940   1.1480   3.5450   1.6360   3.4420   1.6110 0.1029000 2.296000 
1 1 1   14   10   32 o   4.6370   1.4360   5.7260   2.2800   3.5470   1.7450 2.179000 2.871000 
1 1 1   14   10   33 o   2.2300   0.8032   2.2930   1.1650   2.1680   1.1060 0.1254000 1.606000 
1 1 1   14   10   34 o   2.7490   0.9558   2.4730   1.2420   3.0260   1.4540 -0.5529000 1.912000 
1 1 1   14   12    0 o   66.280   0.4988   66.560   0.7072   66.000   0.7038 0.5583000 0.9977000 
1 1 1   14   12    1 o   55.180   0.3700   55.690   0.5264   54.670   0.5202 1.020000 0.7400000 
1 1 1   14   12    2 o   52.190   0.3837   52.530   0.5807   51.860   0.5016 0.6736000 0.7673000 
1 1 1   14   12    3 o   43.570   0.3420   44.790   0.4507   42.350   0.5146 2.446000 0.6841000 
1 1 1   14   12    4 o   54.540   0.3706   55.250   0.5269   53.830   0.5213 1.423000 0.7412000 
1 1 1   14   12    5 o   56.010   0.3794   56.440   0.5389   55.590   0.5343 0.8534000 0.7589000 
1 1 1   14   12    6 o   39.280   0.3097   39.670   0.4403   38.890   0.4357 0.7812000 0.6195000 
1 1 1   14   12    7 o   42.850   0.3236   43.280   0.4568   42.420   0.4584 0.8626000 0.6472000 
1 1 1   14   12    8 o   36.120   0.3585   35.540   0.4992   36.710   0.5147 -1.169000 0.7170000 
1 1 1   14   12    9 o   33.540   0.3144   33.780   0.4420   33.300   0.4471 0.4826000 0.6287000 
1 1 1   14   12   10 o   25.630   0.3745   25.320   0.5112   25.930   0.5473 -0.6101000 0.7489000 
1 1 1   14   12   11 o   21.790   0.4223   22.010   0.5683   21.570   0.6248 0.4448000 0.8446000 
1 1 1   14   12   12 o   70.270   0.4709   70.370   0.6659   70.160   0.6661 0.2115000 0.9418000 
1 1 1   14   12   13 o   65.470   0.5199   65.500   0.7364   65.440   0.7340 0.5320000E-01 1.040000 
1 1 1   14   12   14 o   64.600   0.5159   64.620   0.7307   64.580   0.7285 0.3787000E-01 1.032000 
1 1 1   14   12   15 o   18.290   0.4770   17.960   0.6728   18.610   0.6762 -0.6540000 0.9539000 
1 1 1   14   12   16 o   37.930   0.3501   38.190   0.4934   37.670   0.4969 0.5234000 0.7003000 
1 1 1   14   12   17 o   3.6690   1.1580   3.1580   1.5030   4.1810   1.7630 -1.023000 2.316000 
1 1 1   14   12   18 o   27.880   0.4116   27.850   0.5930   27.910   0.5710 -0.6173000E-01 0.8232000 
1 1 1   14   12   19 o   11.050   0.8430   11.590   1.0200   10.510   1.3420 1.082000 1.686000 
1 1 1   14   12   20 o   7.1010   1.0610   8.1430   1.3140   6.0600   1.6660 2.083000 2.121000 
1 1 1   14   12   21 o   10.580   0.7202   9.9420   1.0620   11.220   0.9725 -1.277000 1.440000 
1 1 1   14   12   22 o   14.440   0.5297   14.890   0.7023   13.990   0.7931 0.8995000 1.059000 
1 1 1   14   12   23 o   3.3840   1.0670   3.3190   1.4780   3.4490   1.5390 -0.1300000 2.134000 
1 1 1   14   12   24 o   5.4150   1.1090   6.8960   1.4980   3.9330   1.6350 2.963000 2.217000 
1 1 1   14   12   25 o   11.440   0.7135   12.680   0.8438   10.190   1.1510 2.487000 1.427000 
1 1 1   14   12   26 o   3.4070   1.1110   3.2550   1.5060   3.5590   1.6350 -0.3035000 2.223000 
1 1 1   14   12   27 o   6.8120   1.4520   7.8740   1.9480   5.7500   2.1550 2.124000 2.904000 
1 1 1   14   12   28 o   3.3880   1.1220   3.2170   1.5450   3.5600   1.6290 -0.3430000 2.245000 
1 1 1   14   12   29 o   5.5750   1.3440   6.4590   1.8930   4.6910   1.9080 1.767000 2.687000 
1 1 1   14   12   30 o   3.5060   1.1510   3.4240   1.5930   3.5880   1.6610 -0.1642000 2.301000 
1 1 1   14   12   31 o   3.1380   1.0890   2.9940   1.4770   3.2810   1.6000 -0.2873000 2.178000 
1 1 1   14   12   32 o   4.1590   1.3100   3.4910   1.6620   4.8280   2.0250 -1.336000 2.619000 
1 1 1   14   12   33 o   2.0440   0.7410   1.9100   0.9823   2.1780   1.1100 -0.2680000 1.482000 
1 1 1   14   14    0 o   32.680   0.3181   32.250   0.4777   33.100   0.4204 -0.8447000 0.6363000 
1 1 1   14   14    1 o   64.420   0.4272   64.390   0.6039   64.440   0.6044 -0.5894000E-01 0.8544000 
1 1 1   14   14    2 o   95.340   0.6592   95.440   0.8634   95.240   0.9964 0.1984000 1.318000 
1 1 1   14   14    3 o   92.380   0.5929   92.800   0.8416   91.950   0.8354 0.8545000 1.186000 
1 1 1   14   14    4 o   79.230   0.5149   79.280   0.7272   79.180   0.7291 0.1071000 1.030000 
1 1 1   14   14    5 o   60.770   0.4129   60.500   0.5791   61.040   0.5886 -0.5382000 0.8257000 
1 1 1   14   14    6 o   51.230   0.3683   52.190   0.5239   50.280   0.5179 1.910000 0.7366000 
1 1 1   14   14    7 o   42.450   0.3872   42.880   0.5437   42.020   0.5515 0.8509000 0.7744000 
1 1 1   14   14    8 o   30.270   0.3811   30.390   0.5240   30.150   0.5535 0.2380000 0.7622000 
1 1 1   14   14    9 o   42.730   0.3952   43.170   0.5548   42.290   0.5631 0.8752000 0.7905000 
1 1 1   14   14   10 o   15.140   0.5625   15.190   0.7800   15.090   0.8106 0.9346000E-01 1.125000 
1 1 1   14   14   11 o   7.5280   1.3700   8.6250   1.8200   6.4320   2.0480 2.193000 2.740000 
1 1 1   14   14   12 o   10.920   1.0550   12.510   1.2680   9.3210   1.6850 3.189000 2.109000 
1 1 1   14   14   13 o   35.850   0.3535   35.570   0.4964   36.130   0.5033 -0.5621000 0.7069000 
1 1 1   14   14   14 o   23.190   0.4058   22.740   0.5677   23.650   0.5800 -0.9144000 0.8116000 
1 1 1   14   14   15 o   4.4190   1.2800   4.1150   1.7590   4.7230   1.8600 -0.6085000 2.560000 
1 1 1   14   14   16 o   5.5270   1.3340   5.2720   1.8790   5.7830   1.8930 -0.5111000 2.667000 
1 1 1   14   14   17 o   3.3880   1.0800   3.2610   1.4760   3.5160   1.5760 -0.2544000 2.159000 
1 1 1   14   14   18 o   4.2700   1.2180   5.0030   1.8050   3.5360   1.6370 1.467000 2.437000 
1 1 1   14   14   19 o   22.380   0.3920   22.710   0.5422   22.050   0.5664 0.6646000 0.7841000 
1 1 1   14   14   20 o   2.7650   0.9370   2.6360   1.2710   2.8940   1.3770 -0.2582000 1.874000 
1 1 1   14   14   21 o   12.070   0.6471   10.900   0.9628   13.230   0.8648 -2.325000 1.294000 
1 1 1   14   14   22 o   9.9970   0.7883   9.2170   1.1660   10.780   1.0620 -1.559000 1.577000 
1 1 1   14   14   23 o   4.2940   1.1810   3.6840   1.5680   4.9030   1.7670 -1.218000 2.362000 
1 1 1   14   14   24 o   19.090   0.5088   18.540   0.7784   19.640   0.6553 -1.098000 1.018000 
1 1 1   14   14   25 o   7.6800   1.1700   7.5190   1.6120   7.8410   1.6980 -0.3226000 2.341000 
1 1 1   14   14   26 o   4.5430   1.3700   4.8980   1.9870   4.1880   1.8870 0.7098000 2.741000 
1 1 1   14   14   27 o   8.6080   1.2790   8.9790   1.7020   8.2370   1.9100 0.7423000 2.558000 
1 1 1   14   14   28 o   6.6840   1.3370   6.1170   1.8790   7.2510   1.9030 -1.134000 2.674000 
1 1 1   14   14   29 f   7.5030   1.2620   8.5000   1.5430   6.5060   1.9980 1.993000 2.524000 
1 1 1   14   14   30 o   4.5670   1.3620   5.4480   2.1070   3.6860   1.7260 1.763000 2.723000 
1 1 1   14   14   31 o   2.6530   0.9422   2.9510   1.4520   2.3550   1.2010 0.5968000 1.884000 
1 1 1   14   14   32 o   2.3640   0.8447   2.1920   1.1200   2.5350   1.2650 -0.3433000 1.689000 
1 1 1   14   16    0 o   43.280   0.3899   43.530   0.5519   43.040   0.5509 0.4930000 0.7798000 
1 1 1   14   16    1 o   9.1330   1.0060   8.4300   1.5550   9.8360   1.2770 -1.406000 2.012000 
1 1 1   14   16    2 o   19.620   0.4808   19.670   0.6857   19.560   0.6742 0.1104000 0.9617000 
1 1 1   14   16    3 o   38.240   0.4337   37.740   0.5422   38.730   0.6770 -0.9882000 0.8674000 
1 1 1   14   16    4 o   64.940   0.5092   65.150   0.7189   64.730   0.7213 0.4206000 1.018000 
1 1 1   14   16    5 o   59.930   0.4188   60.160   0.5913   59.710   0.5931 0.4499000 0.8375000 
1 1 1   14   16    6 o   18.860   0.4866   18.260   0.6788   19.460   0.6975 -1.202000 0.9732000 
1 1 1   14   16    7 o   36.190   0.3875   36.700   0.5831   35.680   0.5104 1.025000 0.7750000 
1 1 1   14   16    8 o   17.350   0.5439   18.290   0.7250   16.420   0.8110 1.869000 1.088000 
1 1 1   14   16    9 o   24.820   0.5122   25.230   0.7232   24.420   0.7254 0.8098000 1.024000 
1 1 1   14   16   10 o   19.680   0.6029   19.850   0.8581   19.500   0.8470 0.3496000 1.206000 
1 1 1   14   16   11 o   27.700   0.3858   28.210   0.5295   27.190   0.5612 1.018000 0.7715000 
1 1 1   14   16   12 o   25.510   0.3995   26.360   0.5413   24.650   0.5876 1.709000 0.7989000 
1 1 1   14   16   13 o   26.470   0.5534   25.530   0.9207   27.410   0.6144 -1.882000 1.107000 
1 1 1   14   16   14 o   5.3380   1.2920   4.2180   1.7540   6.4570   1.8980 -2.238000 2.584000 
1 1 1   14   16   15 o   7.8810   1.0670   9.5570   1.1620   6.2050   1.7900 3.352000 2.134000 
1 1 1   14   16   16 o   12.900   0.7428   13.240   0.9473   12.560   1.1450 0.6842000 1.486000 
1 1 1   14   16   17 o   5.9330   1.2380   7.2920   1.6360   4.5750   1.8590 2.717000 2.476000 
1 1 1   14   16   18 o   15.380   0.5024   15.400   0.6958   15.350   0.7248 0.5190000E-01 1.005000 
1 1 1   14   16   19 o   10.320   0.8851   10.750   1.3290   9.8830   1.1690 0.8712000 1.770000 
1 1 1   14   16   20 o   9.8060   0.7852   9.1550   1.1530   10.460   1.0670 -1.301000 1.570000 
1 1 1   14   16   21 o   10.090   0.7982   10.380   1.0430   9.7990   1.2090 0.5779000 1.596000 
1 1 1   14   16   22 o   5.7350   1.2570   5.6620   1.7370   5.8080   1.8180 -0.1457000 2.515000 
1 1 1   14   16   23 o   8.1740   1.0250   8.0750   1.4180   8.2740   1.4820 -0.1987000 2.051000 
1 1 1   14   16   24 o   5.5790   1.3130   4.6250   1.8020   6.5330   1.9110 -1.909000 2.627000 
1 1 1   14   16   25 o   4.1940   1.2610   4.9200   1.9190   3.4680   1.6380 1.452000 2.523000 
1 1 1   14   16   26 o   5.3920   1.5000   4.8920   2.1210   5.8910   2.1220 -0.9987000 3.000000 
1 1 1   14   16   27 o   4.1280   1.2500   4.1470   1.7540   4.1090   1.7820 0.3751000E-01 2.501000 
1 1 1   14   16   28 o   3.8570   1.2160   3.7080   1.6820   4.0060   1.7560 -0.2987000 2.432000 
1 1 1   14   16   29 o   2.6350   0.9387   2.6130   1.3180   2.6560   1.3370 -0.4287000E-01 1.877000 
1 1 1   14   16   30 o   2.7620   0.9756   2.7420   1.3710   2.7820   1.3880 -0.3932000E-01 1.951000 
1 1 1   14   16   31 o   2.7640   0.9588   2.8020   1.3670   2.7260   1.3440 0.7615000E-01 1.918000 
1 1 1   14   18    0 o   23.890   0.4061   23.850   0.5709   23.930   0.5777 -0.7955000E-01 0.8122000 
1 1 1   14   18    1 o   20.320   0.4555   20.630   0.6320   20.010   0.6561 0.6238000 0.9110000 
1 1 1   14   18    2 f   56.010   0.4008   55.680   0.5651   56.340   0.5686 -0.6524000 0.8017000 
1 1 1   14   18    3 o   27.740   0.3862   28.470   0.5273   27.010   0.5644 1.458000 0.7724000 
1 1 1   14   18    4 o   25.710   0.4029   26.310   0.5506   25.110   0.5885 1.195000 0.8059000 
1 1 1   14   18    5 o   31.690   0.4362   31.660   0.6105   31.720   0.6232 -0.5493000E-01 0.8725000 
1 1 1   14   18    6 o   28.640   0.4616   29.380   0.6334   27.910   0.6716 1.471000 0.9231000 
1 1 1   14   18    7 o   59.270   0.4922   59.390   0.6931   59.140   0.6989 0.2575000 0.9843000 
1 1 1   14   18    8 o   26.140   0.3990   25.880   0.5538   26.410   0.5745 -0.5378000 0.7980000 
1 1 1   14   18    9 o   24.490   0.4080   24.550   0.5555   24.430   0.5978 0.1220000 0.8160000 
1 1 1   14   18   10 o   18.840   0.5590   19.700   0.7658   17.970   0.8146 1.729000 1.118000 
1 1 1   14   18   11 o   3.8650   1.2090   3.5320   1.6220   4.1970   1.7930 -0.6650000 2.418000 
1 1 1   14   18   12 o   16.840   0.5287   17.150   0.7191   16.520   0.7754 0.6275000 1.057000 
1 1 1   14   18   13 o   15.250   0.5626   15.180   0.7786   15.320   0.8123 -0.1395000 1.125000 
1 1 1   14   18   14 o   9.3720   1.0400   9.2690   1.3370   9.4750   1.5930 -0.2058000 2.080000 
1 1 1   14   18   15 o   9.4840   1.0600   10.230   1.2560   8.7400   1.7080 1.488000 2.120000 
1 1 1   14   18   16 o   3.7970   1.1200   4.4140   1.6830   3.1790   1.4770 1.235000 2.239000 
1 1 1   14   18   17 o   8.6890   0.9489   7.9720   1.4220   9.4050   1.2570 -1.432000 1.898000 
1 1 1   14   18   18 o   19.790   0.4441   20.460   0.5916   19.120   0.6626 1.339000 0.8882000 
1 1 1   14   18   19 o   4.0640   1.1770   4.4430   1.7140   3.6850   1.6150 0.7585000 2.355000 
1 1 1   14   18   20 o   3.4640   1.0700   4.2480   1.6940   2.6800   1.3070 1.568000 2.139000 
1 1 1   14   18   21 o   5.6500   1.2800   6.0600   1.7840   5.2410   1.8350 0.8197000 2.560000 
1 1 1   14   18   22 o   5.1010   1.3360   5.3060   1.8720   4.8960   1.9070 0.4099000 2.672000 
1 1 1   14   18   23 o   5.9580   1.3580   5.0070   1.8900   6.9090   1.9520 -1.902000 2.717000 
1 1 1   14   18   24 o   3.4360   1.1410   3.8590   1.7450   3.0120   1.4710 0.8470000 2.283000 
1 1 1   14   18   25 o   7.4120   1.2860   6.4880   1.8890   8.3370   1.7440 -1.849000 2.571000 
1 1 1   14   18   26 o   7.5670   1.2530   6.9610   1.8130   8.1740   1.7310 -1.213000 2.506000 
1 1 1   14   18   27 o   3.1940   1.0690   2.5180   1.2590   3.8700   1.7280 -1.352000 2.138000 
1 1 1   14   18   28 o   3.1240   1.0810   3.3930   1.6250   2.8560   1.4260 0.5376000 2.162000 
1 1 1   14   18   29 o   3.6460   1.2060   2.9000   1.4320   4.3930   1.9420 -1.493000 2.413000 
1 1 1   14   18   30 o   2.1810   0.7834   2.2420   1.1350   2.1200   1.0800 0.1212000 1.567000 
1 1 1   14   20    0 o   56.520   0.4688   56.720   0.6665   56.330   0.6594 0.3912000 0.9376000 
1 1 1   14   20    1 o   11.970   0.8588   11.370   1.2960   12.560   1.1270 -1.192000 1.718000 
1 1 1   14   20    2 o   38.790   0.4083   39.590   0.5817   37.990   0.5732 1.602000 0.8167000 
1 1 1   14   20    3 f   34.190   0.3624   34.160   0.5036   34.220   0.5214 -0.6602000E-01 0.7249000 
1 1 1   14   20    4 o   26.840   0.4378   27.250   0.6047   26.430   0.6331 0.8248000 0.8755000 
1 1 1   14   20    5 o   44.050   0.4186   43.870   0.5859   44.230   0.5980 -0.3671000 0.8372000 
1 1 1   14   20    6 o   9.1910   1.1340   11.300   1.1820   7.0840   1.9360 4.213000 2.268000 
1 1 1   14   20    7 o   24.250   0.4608   24.760   0.6190   23.740   0.6828 1.016000 0.9216000 
1 1 1   14   20    8 o   22.600   0.4263   23.030   0.5704   22.180   0.6336 0.8526000 0.8525000 
1 1 1   14   20    9 o   11.990   0.7094   12.520   0.8945   11.460   1.1010 1.065000 1.419000 
1 1 1   14   20   10 o   3.9760   1.1820   3.9520   1.6430   3.9990   1.6990 -0.4651000E-01 2.364000 
1 1 1   14   20   11 o   15.870   0.6584   15.680   0.9312   16.050   0.9311 -0.3742000 1.317000 
1 1 1   14   20   12 o   9.1160   1.0770   9.4610   1.3750   8.7710   1.6590 0.6903000 2.155000 
1 1 1   14   20   13 o   7.9590   1.1310   7.6170   1.7130   8.3010   1.4780 -0.6845000 2.263000 
1 1 1   14   20   14 o   11.800   0.6987   12.140   0.9448   11.450   1.0300 0.6899000 1.397000 
1 1 1   14   20   15 o   5.2800   1.2310   6.0340   1.7230   4.5260   1.7580 1.507000 2.461000 
1 1 1   14   20   16 o   12.330   0.6748   12.680   0.9063   11.980   1.0000 0.6928000 1.350000 
1 1 1   14   20   17 f   21.180   0.4317   21.520   0.5884   20.830   0.6318 0.6897000 0.8634000 
1 1 1   14   20   18 o   13.140   0.6418   13.560   0.8653   12.720   0.9481 0.8480000 1.284000 
1 1 1   14   20   19 o   7.3700   1.1620   7.6470   1.5660   7.0930   1.7160 0.5550000 2.323000 
1 1 1   14   20   20 o   14.200   0.6994   15.040   0.9046   13.350   1.0670 1.696000 1.399000 
1 1 1   14   20   21 o   5.2870   1.3860   5.2390   1.9230   5.3350   1.9960 -0.9605000E-01 2.772000 
1 1 1   14   20   22 o   4.6450   1.3390   4.2640   1.7790   5.0260   2.0030 -0.7618000 2.679000 
1 1 1   14   20   23 o   3.3400   1.1370   3.4900   1.6570   3.1910   1.5590 0.2992000 2.275000 
1 1 1   14   20   24 o   6.7260   1.3680   6.9350   1.8720   6.5180   1.9940 0.4170000 2.735000 
1 1 1   14   20   25 o   5.5080   1.3370   6.6290   1.9220   4.3880   1.8600 2.241000 2.674000 
1 1 1   14   20   26 o   7.8340   1.4310   8.9880   1.8840   6.6810   2.1550 2.307000 2.863000 
1 1 1   14   20   27 f   3.5620   1.1610   3.4150   1.5950   3.7090   1.6860 -0.2933000 2.321000 
1 1 1   14   20   28 o   2.6030   0.9246   2.6840   1.3400   2.5210   1.2740 0.1636000 1.849000 
1 1 1   14   20   29 o   2.9200   1.0230   3.3060   1.5850   2.5350   1.2950 0.7707000 2.046000 
1 1 1   14   22    0 o   12.170   0.8056   13.260   1.2250   11.070   1.0460 2.189000 1.611000 
1 1 1   14   22    1 o   6.7450   1.3570   7.5410   2.0560   5.9490   1.7700 1.593000 2.713000 
1 1 1   14   22    2 o   21.200   0.5031   21.810   0.8063   20.590   0.6019 1.227000 1.006000 
1 1 1   14   22    3 o   13.880   0.7445   15.160   1.0940   12.600   1.0100 2.554000 1.489000 
1 1 1   14   22    4 o   20.510   0.5294   21.660   0.8157   19.360   0.6750 2.293000 1.059000 
1 1 1   14   22    5 o   21.470   0.5063   22.220   0.7898   20.730   0.6338 1.491000 1.013000 
1 1 1   14   22    6 o   16.260   0.6256   17.620   0.9325   14.910   0.8342 2.706000 1.251000 
1 1 1   14   22    7 o   8.0920   1.2310   9.9170   1.6290   6.2660   1.8460 3.651000 2.462000 
1 1 1   14   22    8 o   7.7050   1.3160   5.8420   2.1020   9.5680   1.5840 -3.726000 2.632000 
1 1 1   14   22    9 o   9.5430   1.0240   9.1880   1.3780   9.8980   1.5140 -0.7099000 2.047000 
1 1 1   14   22   10 o   4.8420   1.2710   4.1770   1.7280   5.5070   1.8650 -1.330000 2.542000 
1 1 1   14   22   11 o   13.900   0.5997   13.430   0.8330   14.380   0.8631 -0.9561000 1.199000 
1 1 1   14   22   12 o   16.020   0.5292   16.380   0.6891   15.660   0.8034 0.7204000 1.058000 
1 1 1   14   22   13 o   16.550   0.5379   15.830   0.7651   17.280   0.7564 -1.448000 1.076000 
1 1 1   14   22   14 f   14.700   0.5994   14.970   0.8036   14.430   0.8895 0.5334000 1.199000 
1 1 1   14   22   15 o   6.0620   1.1720   7.8370   1.5400   4.2870   1.7670 3.550000 2.344000 
1 1 1   14   22   16 o   16.520   0.5521   16.020   0.7861   17.030   0.7754 -1.015000 1.104000 
1 1 1   14   22   17 o   11.040   0.8092   10.810   1.1430   11.270   1.1460 -0.4577000 1.618000 
1 1 1   14   22   18 o   5.5720   1.4090   5.6500   1.9630   5.4930   2.0220 0.1570000 2.818000 
1 1 1   14   22   19 o   8.9390   1.1820   11.470   1.2410   6.4030   2.0110 5.071000 2.363000 
1 1 1   14   22   20 o   6.1550   1.3100   4.8710   1.9160   7.4380   1.7870 -2.567000 2.620000 
1 1 1   14   22   21 o   5.6550   1.5100   6.0110   2.1730   5.2990   2.0980 0.7122000 3.020000 
1 1 1   14   22   22 o   4.0360   1.2350   3.4630   1.5990   4.6090   1.8840 -1.146000 2.471000 
1 1 1   14   22   23 o   3.4020   1.1310   3.3030   1.5630   3.5010   1.6350 -0.1982000 2.262000 
1 1 1   14   22   24 o   10.310   1.1710   9.3630   1.7820   11.260   1.5210 -1.896000 2.343000 
1 1 1   14   22   25 o   3.1220   1.0810   3.3540   1.6150   2.8910   1.4380 0.4635000 2.162000 
1 1 1   14   22   26 o   3.3810   1.1410   4.0710   1.8360   2.6910   1.3560 1.380000 2.282000 
1 1 1   14   22   27 o   2.1670   0.7787   2.2400   1.1340   2.0940   1.0680 0.1465000 1.557000 
1 1 1   14   24    0 o   5.9710   1.3040   5.3320   1.8520   6.6100   1.8380 -1.278000 2.609000 
1 1 1   14   24    1 o   18.750   0.5158   19.330   0.6996   18.170   0.7580 1.154000 1.032000 
1 1 1   14   24    2 o   11.630   0.7992   12.490   1.0120   10.770   1.2370 1.719000 1.598000 
1 1 1   14   24    3 o   27.220   0.4290   27.010   0.5754   27.430   0.6365 -0.4231000 0.8580000 
1 1 1   14   24    4 o   13.650   0.7172   13.750   0.9238   13.560   1.0970 0.1962000 1.434000 
1 1 1   14   24    5 o   24.650   0.4495   24.590   0.5903   24.720   0.6779 -0.1218000 0.8989000 
1 1 1   14   24    6 o   20.080   0.4406   20.150   0.5904   20.020   0.6542 0.1307000 0.8812000 
1 1 1   14   24    7 o   13.980   0.5998   13.740   0.8213   14.220   0.8744 -0.4824000 1.200000 
1 1 1   14   24    8 o   20.590   0.4410   21.200   0.5813   19.980   0.6633 1.226000 0.8820000 
1 1 1   14   24    9 o   11.290   0.7619   11.070   1.0630   11.520   1.0920 -0.4550000 1.524000 
1 1 1   14   24   10 o   16.580   0.5556   17.310   0.7777   15.850   0.7938 1.454000 1.111000 
1 1 1   14   24   11 o   12.720   0.8344   13.140   1.3000   12.290   1.0460 0.8482000 1.669000 
1 1 1   14   24   12 o   14.070   0.7886   13.690   1.3030   14.440   0.8895 -0.7512000 1.577000 
1 1 1   14   24   13 o   12.360   0.8947   13.270   1.3670   11.440   1.1540 1.832000 1.789000 
1 1 1   14   24   14 o   6.4330   1.4590   7.0190   2.2130   5.8470   1.9020 1.173000 2.918000 
1 1 1   14   24   15 f   5.8580   1.6000   6.1820   2.4990   5.5350   2.0000 0.6468000 3.201000 
1 1 1   14   24   16 o   5.4170   1.5110   4.7810   2.2100   6.0530   2.0610 -1.272000 3.022000 
1 1 1   14   24   17 o   3.6770   1.2270   3.7670   1.8230   3.5870   1.6440 0.1796000 2.455000 
1 1 1   14   24   18 o   3.6790   1.2260   3.6000   1.7580   3.7590   1.7100 -0.1588000 2.452000 
1 1 1   14   24   19 o   5.5780   1.4780   7.4690   2.3940   3.6870   1.7330 3.782000 2.956000 
1 1 1   14   24   20 o   4.1460   1.3370   5.5260   2.2940   2.7650   1.3730 2.761000 2.674000 
1 1 1   14   24   21 o   5.4010   1.5330   5.9100   2.3710   4.8930   1.9430 1.017000 3.065000 
1 1 1   14   24   22 o   4.2920   1.4310   4.4050   2.1560   4.1800   1.8820 0.2251000 2.862000 
1 1 1   14   24   23 o   4.6860   1.4580   4.0640   2.0250   5.3070   2.0970 -1.243000 2.915000 
1 1 1   14   24   24 o   3.7310   1.2520   3.9080   1.8490   3.5530   1.6880 0.3555000 2.503000 
1 1 1   14   24   25 o   2.6550   0.9511   2.8730   1.4450   2.4380   1.2370 0.4346000 1.902000 
1 1 1   14   26    0 o   8.1860   0.9919   7.7360   1.4780   8.6360   1.3240 -0.8997000 1.984000 
1 1 1   14   26    1 o   13.520   0.6118   13.850   0.8400   13.190   0.8898 0.6644000 1.224000 
1 1 1   14   26    2 f   17.470   0.4927   17.240   0.6994   17.710   0.6941 -0.4775000 0.9853000 
1 1 1   14   26    3 o   24.800   0.4077   24.910   0.5578   24.690   0.5947 0.2297000 0.8154000 
1 1 1   14   26    4 o   17.430   0.5302   18.200   0.6867   16.670   0.8080 1.532000 1.060000 
1 1 1   14   26    5 o   12.140   0.7193   12.030   0.9836   12.250   1.0500 -0.2161000 1.439000 
1 1 1   14   26    6 o   15.990   0.5663   15.930   0.7615   16.050   0.8383 -0.1168000 1.133000 
1 1 1   14   26    7 o   5.5030   1.2980   5.7850   1.7800   5.2220   1.8890 0.5631000 2.595000 
1 1 1   14   26    8 o   7.1110   1.1990   8.3860   1.4620   5.8370   1.9010 2.549000 2.399000 
1 1 1   14   26    9 o   5.8580   1.3160   5.6240   1.8380   6.0920   1.8850 -0.4674000 2.633000 
1 1 1   14   26   10 o   16.870   0.5463   17.430   0.7267   16.320   0.8160 1.105000 1.093000 
1 1 1   14   26   11 o   5.2520   1.3900   5.7190   2.0040   4.7850   1.9280 0.9347000 2.780000 
1 1 1   14   26   12 o   8.7310   1.2300   10.460   1.4360   6.9980   1.9970 3.465000 2.460000 
1 1 1   14   26   13 o   7.7760   1.2860   9.5370   1.5840   6.0150   2.0270 3.521000 2.573000 
1 1 1   14   26   14 o   5.1940   1.3460   5.0860   1.8690   5.3010   1.9360 -0.2150000 2.691000 
1 1 1   14   26   15 o   7.9940   1.2200   7.6970   1.7490   8.2910   1.7010 -0.5944000 2.439000 
1 1 1   14   26   16 o   6.8100   1.5330   6.5580   2.1620   7.0620   2.1740 -0.5040000 3.066000 
1 1 1   14   26   17 o   4.1670   1.3590   4.4220   2.0240   3.9110   1.8150 0.5101000 2.719000 
1 1 1   14   26   18 o   3.7650   1.2060   3.5480   1.6340   3.9820   1.7740 -0.4340000 2.412000 
1 1 1   14   26   19 o   3.8290   1.2520   3.1510   1.5420   4.5070   1.9720 -1.356000 2.504000 
1 1 1   14   26   20 o   4.3710   1.3270   5.4330   2.1190   3.3080   1.5990 2.125000 2.654000 
1 1 1   14   26   21 o   2.4200   0.8610   2.5060   1.2540   2.3340   1.1800 0.1722000 1.722000 
1 1 1   14   26   22 o   2.9470   1.0260   2.8940   1.4270   2.9990   1.4750 -0.1051000 2.053000 
1 1 1   14   26   23 o   2.1650   0.7857   1.9550   1.0070   2.3750   1.2070 -0.4204000 1.571000 
1 1 1   14   28    0 o   14.420   0.6010   13.930   0.8734   14.900   0.8257 -0.9693000 1.202000 
1 1 1   14   28    1 o   19.590   0.5487   19.390   0.7844   19.780   0.7676 -0.3899000 1.097000 
1 1 1   14   28    2 o   18.220   0.5856   18.870   0.8044   17.570   0.8512 1.303000 1.171000 
1 1 1   14   28    3 o   6.2960   1.4060   7.1980   1.9310   5.3940   2.0460 1.804000 2.813000 
1 1 1   14   28    4 o   11.840   0.9272   12.900   1.1300   10.780   1.4700 2.116000 1.854000 
1 1 1   14   28    5 o   19.830   0.5721   19.320   0.8096   20.330   0.8087 -1.007000 1.144000 
1 1 1   14   28    6 o   4.5090   1.3420   4.7480   1.9210   4.2710   1.8760 0.4771000 2.685000 
1 1 1   14   28    7 o   3.5800   1.1790   3.7670   1.7120   3.3920   1.6210 0.3751000 2.358000 
1 1 1   14   28    8 o   5.4200   1.3510   5.5310   1.8810   5.3090   1.9390 0.2217000 2.702000 
1 1 1   14   28    9 o   6.3250   1.3240   5.3820   1.8920   7.2690   1.8520 -1.887000 2.648000 
1 1 1   14   28   10 o   16.760   0.5904   16.880   0.8063   16.650   0.8626 0.2275000 1.181000 
1 1 1   14   28   11 o   2.9810   1.0200   3.0630   1.4700   2.8980   1.4160 0.1648000 2.041000 
1 1 1   14   28   12 o   5.6870   1.3940   5.9960   1.9490   5.3780   1.9930 0.6182000 2.788000 
1 1 1   14   28   13 o   8.6300   1.3610   6.5200   2.1620   10.740   1.6520 -4.219000 2.721000 
1 1 1   14   28   14 o   8.2060   1.4920   8.0560   2.0810   8.3550   2.1380 -0.2989000 2.984000 
1 1 1   14   28   15 o   5.5600   1.3710   4.6400   1.8670   6.4810   2.0090 -1.841000 2.743000 
1 1 1   14   28   16 o   3.9240   1.2610   4.6240   1.9730   3.2240   1.5700 1.400000 2.521000 
1 1 1   14   28   17 o   4.0360   1.2690   5.0520   2.0560   3.0190   1.4890 2.033000 2.539000 
1 1 1   14   28   18 o   2.9370   1.0130   2.6380   1.3120   3.2350   1.5450 -0.5969000 2.026000 
1 1 1   14   28   19 o   2.6590   0.9366   2.7240   1.3560   2.5940   1.2930 0.1304000 1.873000 
1 1 1   14   28   20 o   2.6430   0.9353   2.7230   1.3550   2.5640   1.2900 0.1587000 1.871000 
1 1 1   14   30    0 f   12.000   0.7739   12.450   1.0250   11.540   1.1600 0.9009000 1.548000 
1 1 1   14   30    1 o   8.5830   1.1070   8.8230   1.4980   8.3430   1.6290 0.4803000 2.213000 
1 1 1   14   30    2 o   12.810   0.8216   13.600   0.9761   12.030   1.3220 1.567000 1.643000 
1 1 1   14   30    3 o   3.5060   1.1100   4.5720   1.8500   2.4410   1.2280 2.131000 2.221000 
1 1 1   14   30    4 o   3.6090   1.1650   3.3120   1.5540   3.9060   1.7350 -0.5943000 2.329000 
1 1 1   14   30    5 o   4.0240   1.1720   5.2950   1.9100   2.7520   1.3590 2.543000 2.344000 
1 1 1   14   30    6 o   12.720   0.8081   14.390   0.9572   11.060   1.3020 3.328000 1.616000 
1 1 1   14   30    7 o   11.330   0.8820   10.980   1.2650   11.680   1.2300 -0.7001000 1.764000 
1 1 1   14   30    8 o   6.1010   1.4260   7.5270   2.0450   4.6750   1.9880 2.852000 2.852000 
1 1 1   14   30    9 o   5.2780   1.4610   5.1130   2.0550   5.4430   2.0770 -0.3306000 2.922000 
1 1 1   14   30   10 o   4.6310   1.3860   5.1290   2.0530   4.1340   1.8610 0.9953000 2.771000 
1 1 1   14   30   11 o   7.3780   1.3370   7.6910   1.8190   7.0660   1.9590 0.6245000 2.673000 
1 1 1   14   30   12 o   2.9530   1.0330   3.0540   1.4950   2.8530   1.4250 0.2008000 2.065000 
1 1 1   14   30   13 o   4.2130   1.3250   4.5420   1.9540   3.8850   1.7910 0.6568000 2.651000 
1 1 1   14   30   14 o   2.4080   0.8585   2.2590   1.1460   2.5560   1.2790 -0.2968000 1.717000 
1 1 1   14   30   15 o   4.0120   1.2240   4.5280   1.8350   3.4960   1.6190 1.032000 2.447000 
1 1 1   14   30   16 o   2.4670   0.8741   2.4480   1.2270   2.4850   1.2460 -0.3685000E-01 1.748000 
1 1 1   14   30   17 o   2.4740   0.8814   2.5440   1.2760   2.4030   1.2170 0.1406000 1.763000 
1 1 1   14   32    0 o   4.8590   1.4090   4.8980   1.9840   4.8200   2.0010 0.7813000E-01 2.818000 
1 1 1   14   32    1 o   4.9150   1.4210   5.0590   2.0090   4.7710   2.0090 0.2883000 2.841000 
1 1 1   14   32    2 o   5.4540   1.5230   4.0790   1.8900   6.8290   2.3900 -2.750000 3.047000 
1 1 1   14   32    3 o   4.4260   1.4190   4.0250   1.8850   4.8270   2.1230 -0.8025000 2.839000 
1 1 1   14   32    4 o   5.1760   1.4960   6.5090   2.3930   3.8430   1.7940 2.667000 2.991000 
1 1 1   14   32    5 o   6.0050   1.2730   8.3890   1.8840   3.6220   1.7130 4.767000 2.546000 
1 1 1   14   32    6 o   6.7520   1.4820   7.4260   2.0230   6.0780   2.1660 1.348000 2.964000 
1 1 1   14   32    7 o   3.5270   1.1820   3.4210   1.6240   3.6330   1.7170 -0.2125000 2.364000 
1 1 1   14   32    8 o   6.7610   1.4620   5.6390   2.0690   7.8830   2.0650 -2.244000 2.923000 
1 1 1   14   32    9 o   3.7680   1.1940   4.0820   1.7580   3.4540   1.6160 0.6275000 2.388000 
1 1 1   14   32   10 o   3.1990   1.0750   3.3070   1.5540   3.0910   1.4870 0.2159000 2.151000 
1 1 1   14   32   11 o   2.5550   0.8984   2.3580   1.1850   2.7520   1.3500 -0.3936000 1.797000 
1 1 1   14   32   12 o   2.4920   0.8789   2.7000   1.3270   2.2840   1.1530 0.4166000 1.758000 
1 1 1   14   32   13 o   2.0630   0.7582   2.1140   1.0980   2.0110   1.0460 0.1032000 1.516000 
1 1 1   14   34    0 o   4.1440   1.2600   4.1460   1.7430   4.1410   1.8200 0.5712000E-02 2.519000 
1 1 1   14   34    1 o   2.9750   1.0110   3.3670   1.5530   2.5830   1.2950 0.7846000 2.022000 
1 1 1   14   34    2 o   2.4480   0.8656   2.5860   1.2800   2.3100   1.1650 0.2762000 1.731000 
1 1 1   14   34    3 o   2.7270   0.9469   2.5870   1.2790   2.8680   1.3970 -0.2817000 1.894000 
1 1 1   14   34    4 o   2.7410   0.9493   2.8410   1.3790   2.6410   1.3060 0.1996000 1.899000 
1 1 1   14   34    5 o   2.1790   0.7846   2.3270   1.1710   2.0310   1.0440 0.2962000 1.569000 
1 1 1   14   34    6 o   1.9360   1.0020  ?   ?    1.9360   1.0020      ?      ? 
1 1 1   15    1    0 o   76.450   0.4817   76.680   0.6831   76.220   0.6793 0.4586000 0.9633000 
1 1 1   15    1    1 o   39.630   0.2964   39.550   0.4186   39.720   0.4199 -0.1671000 0.5929000 
1 1 1   15    1    2 o   49.680   0.4497   49.510   0.6340   49.850   0.6378 -0.3395000 0.8993000 
1 1 1   15    1    3 o   45.470   0.3414   45.000   0.4785   45.950   0.4872 -0.9475000 0.6829000 
1 1 1   15    1    4 o   50.770   0.3277   50.990   0.4649   50.550   0.4621 0.4338000 0.6555000 
1 1 1   15    1    5 f   72.300   0.4594   72.650   0.6524   71.950   0.6469 0.7006000 0.9188000 
1 1 1   15    1    6 o   36.500   0.2532   36.180   0.3559   36.810   0.3602 -0.6305000 0.5063000 
1 1 1   15    1    7 o   9.2380   0.4172   9.9840   0.5509   8.4920   0.6266 1.492000 0.8344000 
1 1 1   15    1    8 o   33.500   0.3503   33.580   0.4952   33.420   0.4955 0.1642000 0.7006000 
1 1 1   15    1    9 o   33.800   0.2520   33.640   0.3560   33.960   0.3568 -0.3219000 0.5040000 
1 1 1   15    1   10 o   15.470   0.2845   15.380   0.4013   15.550   0.4033 -0.1680000 0.5690000 
1 1 1   15    1   11 o   46.710   0.3189   46.940   0.4524   46.490   0.4495 0.4488000 0.6377000 
1 1 1   15    1   12 o   39.370   0.2891   39.440   0.4087   39.300   0.4089 0.1426000 0.5781000 
1 1 1   15    1   13 o   12.570   0.4157   12.340   0.5926   12.800   0.5832 -0.4564000 0.8314000 
1 1 1   15    1   14 o   54.820   0.4019   55.710   0.6119   53.930   0.5212 1.777000 0.8038000 
1 1 1   15    1   15 o   23.020   0.3301   22.710   0.4676   23.320   0.4659 -0.6145000 0.6601000 
1 1 1   15    1   16 o   28.840   0.3548   29.110   0.4916   28.570   0.5117 0.5345000 0.7095000 
1 1 1   15    1   17 o   15.230   0.6585   14.600   0.9720   15.860   0.8887 -1.264000 1.317000 
1 1 1   15    1   18 o   36.400   0.3324   36.610   0.4681   36.190   0.4720 0.4232000 0.6647000 
1 1 1   15    1   19 o   42.150   0.3443   41.860   0.4891   42.450   0.4846 -0.5861000 0.6885000 
1 1 1   15    1   20 o   14.410   0.5347   14.670   0.7508   14.160   0.7615 0.5141000 1.069000 
1 1 1   15    1   21 o   9.6130   1.2110   10.520   1.5350   8.7070   1.8750 1.813000 2.423000 
1 1 1   15    1   22 o   5.2810   1.3630   3.9500   1.7620   6.6130   2.0790 -2.663000 2.725000 
1 1 1   15    1   23 o   12.050   0.5924   11.700   0.8496   12.410   0.8257 -0.7116000 1.185000 
1 1 1   15    1   24 o   11.240   0.6316   11.270   0.9082   11.210   0.8779 0.5916000E-01 1.263000 
1 1 1   15    1   25 o   3.7590   1.0880   2.9870   1.3740   4.5300   1.6860 -1.543000 2.175000 
1 1 1   15    1   26 o   5.0000   1.1170   3.8000   1.5800   6.1990   1.5800 -2.399000 2.235000 
1 1 1   15    1   27 o   3.3840   1.0660   3.1380   1.4380   3.6300   1.5740 -0.4918000 2.132000 
1 1 1   15    1   28 o   3.4190   1.0770   3.4990   1.5430   3.3390   1.5030 0.1609000 2.154000 
1 1 1   15    1   29 o   3.7790   1.2210   4.3290   1.8850   3.2290   1.5530 1.100000 2.442000 
1 1 1   15    1   30 o   8.3400   1.1020   7.5440   1.6860   9.1350   1.4200 -1.591000 2.205000 
1 1 1   15    1   31 o   2.8610   0.9852   2.8540   1.3890   2.8670   1.3980 -0.1287000E-01 1.970000 
1 1 1   15    1   32 o   4.5610   1.3210   4.6650   1.8910   4.4570   1.8440 0.2078000 2.641000 
1 1 1   15    1   33 o   3.4040   1.1850   3.6110   1.7570   3.1970   1.5900 0.4144000 2.370000 
1 1 1   15    1   34 f   3.6080   1.1800   3.6330   1.6780   3.5820   1.6590 0.5098000E-01 2.360000 
1 1 1   15    1   35 o   2.8210   0.9795   3.0130   1.4600   2.6290   1.3060 0.3843000 1.959000 
1 1 1   15    3    0 o   67.310   0.4259   67.270   0.6017   67.340   0.6030 -0.6615000E-01 0.8519000 
1 1 1   15    3    1 o   62.060   0.3945   62.380   0.5606   61.750   0.5552 0.6217000 0.7890000 
1 1 1   15    3    2 o   40.410   0.3113   40.550   0.4412   40.280   0.4393 0.2684000 0.6226000 
1 1 1   15    3    3 o   42.600   0.3278   43.330   0.4697   41.870   0.4574 1.452000 0.6556000 
1 1 1   15    3    4 o   58.080   0.3730   58.830   0.5335   57.340   0.5216 1.487000 0.7461000 
1 1 1   15    3    5 o   43.740   0.2915   43.600   0.4106   43.880   0.4139 -0.2846000 0.5830000 
1 1 1   15    3    6 o   4.2270   0.7889   4.0560   1.1400   4.3980   1.0910 -0.3421000 1.578000 
1 1 1   15    3    7 o   14.060   0.2942   14.140   0.4126   13.980   0.4195 0.1639000 0.5884000 
1 1 1   15    3    8 f   26.740   0.2698   27.380   0.3774   26.110   0.3857 1.267000 0.5396000 
1 1 1   15    3    9 o   4.3060   0.8226   3.5660   1.2270   5.0460   1.0950 -1.480000 1.645000 
1 1 1   15    3   10 o   24.910   0.2430   24.560   0.3415   25.260   0.3459 -0.6962000 0.4861000 
1 1 1   15    3   11 o   7.8940   0.5686   7.7600   0.8008   8.0270   0.8076 -0.2667000 1.137000 
1 1 1   15    3   12 o   15.130   0.3338   14.830   0.4654   15.420   0.4787 -0.5929000 0.6676000 
1 1 1   15    3   13 o   33.210   0.2797   33.510   0.3947   32.910   0.3965 0.6009000 0.5594000 
1 1 1   15    3   14 o   17.320   0.3585   17.810   0.4958   16.830   0.5181 0.9822000 0.7171000 
1 1 1   15    3   15 o   21.840   0.3383   21.770   0.4701   21.910   0.4866 -0.1341000 0.6766000 
1 1 1   15    3   16 o   44.530   0.3875   44.400   0.5381   44.650   0.5576 -0.2562000 0.7750000 
1 1 1   15    3   17 o   21.330   0.4490   20.450   0.6662   22.210   0.6021 -1.762000 0.8979000 
1 1 1   15    3   18 o   33.550   0.3355   33.210   0.4746   33.900   0.4744 -0.6892000 0.6710000 
1 1 1   15    3   19 o   22.060   0.3974   22.510   0.5541   21.620   0.5696 0.8917000 0.7947000 
1 1 1   15    3   20 o   18.840   0.4400   18.630   0.6316   19.050   0.6128 -0.4179000 0.8801000 
1 1 1   15    3   21 o   6.6220   1.5060   6.3420   2.1170   6.9030   2.1430 -0.5609000 3.013000 
1 1 1   15    3   22 o   11.020   0.8119   11.130   1.0130   10.910   1.2690 0.2196000 1.624000 
1 1 1   15    3   23 o   3.8960   1.1150   4.4140   1.6600   3.3780   1.4900 1.035000 2.231000 
1 1 1   15    3   24 o   12.240   0.5833   12.480   0.8086   12.000   0.8409 0.4762000 1.167000 
1 1 1   15    3   25 o   3.3930   1.0140   4.3280   1.6310   2.4580   1.2050 1.871000 2.027000 
1 1 1   15    3   26 f   6.9830   1.0570   6.8450   1.4700   7.1210   1.5190 -0.2762000 2.114000 
1 1 1   15    3   27 o   8.7520   0.8635   9.3930   1.0920   8.1120   1.3380 1.281000 1.727000 
1 1 1   15    3   28 o   14.840   0.5468   15.010   0.7462   14.680   0.7994 0.3252000 1.094000 
1 1 1   15    3   29 o   4.7550   1.3900   4.8610   1.9760   4.6490   1.9560 0.2114000 2.780000 
1 1 1   15    3   30 o   11.140   0.8597   13.070   0.9752   9.2070   1.4160 3.866000 1.719000 
1 1 1   15    3   31 o   4.1320   1.2200   4.9910   1.8840   3.2740   1.5520 1.717000 2.440000 
1 1 1   15    3   32 o   3.0800   1.0440   2.4770   1.2420   3.6840   1.6770 -1.207000 2.087000 
1 1 1   15    3   33 o   5.1600   1.5420   4.2040   1.9440   6.1160   2.3950 -1.912000 3.085000 
1 1 1   15    3   34 o   2.9380   1.0140   2.7440   1.3550   3.1330   1.5090 -0.3895000 2.028000 
1 1 1   15    3   35 o   2.2390   0.8038   2.3340   1.1800   2.1430   1.0920 0.1915000 1.608000 
1 1 1   15    5    0 o   14.780   0.2050   14.870   0.2927   14.690   0.2871 0.1847000 0.4100000 
1 1 1   15    5    1 o   15.850   0.2590   16.270   0.3565   15.430   0.3759 0.8340000 0.5180000 
1 1 1   15    5    2 o   74.380   0.5476   74.070   0.7706   74.700   0.7781 -0.6290000 1.095000 
1 1 1   15    5    3 o   15.490   0.2226   15.430   0.3120   15.540   0.3174 -0.1027000 0.4451000 
1 1 1   15    5    4 o   83.810   0.5322   84.300   0.7565   83.320   0.7486 0.9719000 1.064000 
1 1 1   15    5    5 o   23.800   0.2444   23.670   0.3448   23.940   0.3464 -0.2713000 0.4888000 
1 1 1   15    5    6 o   24.830   0.2515   24.660   0.3525   25.000   0.3587 -0.3382000 0.5029000 
1 1 1   15    5    7 o   28.850   0.2791   28.900   0.3873   28.800   0.4019 0.9619000E-01 0.5581000 
1 1 1   15    5    8 o   14.700   0.3510   14.980   0.4651   14.430   0.5260 0.5529000 0.7021000 
1 1 1   15    5    9 o   17.090   0.2747   17.560   0.3760   16.630   0.4006 0.9288000 0.5494000 
1 1 1   15    5   10 o   48.810   0.3326   48.540   0.4678   49.080   0.4730 -0.5443000 0.6653000 
1 1 1   15    5   11 o   55.950   0.4045   55.450   0.5227   56.440   0.6175 -0.9991000 0.8091000 
1 1 1   15    5   12 o   41.500   0.3060   41.840   0.4329   41.160   0.4326 0.6853000 0.6120000 
1 1 1   15    5   13 f   24.070   0.3018   24.140   0.4215   24.010   0.4319 0.1330000 0.6036000 
1 1 1   15    5   14 o   33.330   0.3298   33.000   0.5004   33.660   0.4297 -0.6603000 0.6596000 
1 1 1   15    5   15 o   21.130   0.4042   21.270   0.5497   20.980   0.5927 0.2886000 0.8083000 
1 1 1   15    5   16 o   31.850   0.4398   31.810   0.6174   31.890   0.6264 -0.8139000E-01 0.8796000 
1 1 1   15    5   17 o   21.810   0.4664   22.220   0.6625   21.400   0.6568 0.8162000 0.9329000 
1 1 1   15    5   18 o   3.1080   1.0220   2.7800   1.3320   3.4360   1.5500 -0.6563000 2.044000 
1 1 1   15    5   19 o   21.810   0.4000   21.890   0.5464   21.740   0.5843 0.1460000 0.7999000 
1 1 1   15    5   20 o   4.7840   1.2340   4.5480   1.7220   5.0210   1.7670 -0.4723000 2.468000 
1 1 1   15    5   21 o   6.3030   1.4640   4.9280   2.0100   7.6770   2.1300 -2.749000 2.929000 
1 1 1   15    5   22 o   5.4580   1.1370   6.8220   1.5360   4.0940   1.6760 2.729000 2.273000 
1 1 1   15    5   23 o   8.2450   0.8839   8.1480   1.2010   8.3430   1.2970 -0.1952000 1.768000 
1 1 1   15    5   24 o   13.160   0.5636   13.220   0.7551   13.100   0.8369 0.1228000 1.127000 
1 1 1   15    5   25 o   12.250   0.6191   13.630   0.7548   10.870   0.9816 2.764000 1.238000 
1 1 1   15    5   26 o   4.1940   1.1690   4.2400   1.6200   4.1490   1.6860 0.9127000E-01 2.338000 
1 1 1   15    5   27 o   2.8000   0.9458   2.7270   1.3100   2.8730   1.3640 -0.1463000 1.892000 
1 1 1   15    5   28 o   11.680   0.7182   11.720   0.9670   11.650   1.0620 0.6449000E-01 1.436000 
1 1 1   15    5   29 o   5.7070   1.4450   6.5320   2.0680   4.8810   2.0180 1.651000 2.889000 
1 1 1   15    5   30 o   4.0550   1.1690   5.1090   1.8370   3.0010   1.4450 2.109000 2.337000 
1 1 1   15    5   31 o   4.9160   1.3510   5.1840   1.9290   4.6470   1.8920 0.5369000 2.701000 
1 1 1   15    5   32 o   4.5940   1.2540   5.8990   1.9620   3.2880   1.5630 2.611000 2.509000 
1 1 1   15    5   33 o   5.4080   1.4760   7.1100   2.3430   3.7060   1.7940 3.403000 2.951000 
1 1 1   15    5   34 o   2.6740   0.9380   2.4200   1.2190   2.9290   1.4260 -0.5094000 1.876000 
1 1 1   15    5   35 o   2.3710   0.8473   2.2490   1.1400   2.4940   1.2540 -0.2451000 1.695000 
1 1 1   15    7    0 o   35.680   0.2914   35.840   0.4119   35.520   0.4122 0.3242000 0.5828000 
1 1 1   15    7    1 o   61.880   0.4595   62.460   0.6550   61.300   0.6446 1.162000 0.9190000 
1 1 1   15    7    2 o   40.180   0.3180   39.990   0.4469   40.370   0.4525 -0.3768000 0.6360000 
1 1 1   15    7    3 o   46.760   0.3606   47.000   0.5123   46.520   0.5076 0.4751000 0.7212000 
1 1 1   15    7    4 o   34.500   0.2757   34.430   0.3639   34.560   0.4141 -0.1223000 0.5513000 
1 1 1   15    7    5 o   23.450   0.2622   23.940   0.3343   22.960   0.4040 0.9743000 0.5244000 
1 1 1   15    7    6 o   30.490   0.2932   30.710   0.4113   30.270   0.4180 0.4419000 0.5864000 
1 1 1   15    7    7 o   20.580   0.3686   20.710   0.5828   20.450   0.4513 0.2600000 0.7371000 
1 1 1   15    7    8 o   44.340   0.3091   44.390   0.4364   44.300   0.4377 0.9527000E-01 0.6181000 
1 1 1   15    7    9 o   14.080   0.3547   14.040   0.4912   14.120   0.5118 -0.8055000E-01 0.7094000 
1 1 1   15    7   10 o   44.020   0.3138   44.120   0.4441   43.920   0.4434 0.2051000 0.6276000 
1 1 1   15    7   11 o   23.500   0.2868   23.910   0.3964   23.090   0.4147 0.8194000 0.5737000 
1 1 1   15    7   12 o   65.280   0.4312   65.250   0.6085   65.310   0.6110 -0.6027000E-01 0.8623000 
1 1 1   15    7   13 o   78.100   0.5069   78.100   0.7163   78.100   0.7175 -0.2663000E-02 1.014000 
1 1 1   15    7   14 o   39.660   0.3607   39.320   0.4989   40.000   0.5210 -0.6750000 0.7214000 
1 1 1   15    7   15 o   29.530   0.3693   29.910   0.5060   29.160   0.5380 0.7490000 0.7386000 
1 1 1   15    7   16 o   35.070   0.3920   35.080   0.5633   35.050   0.5452 0.2617000E-01 0.7840000 
1 1 1   15    7   17 o   3.3600   1.0750   3.2780   1.4880   3.4410   1.5530 -0.1632000 2.151000 
1 1 1   15    7   18 o   6.4840   1.2010   5.7260   1.7660   7.2420   1.6300 -1.517000 2.403000 
1 1 1   15    7   19 o   11.090   0.7054   10.830   0.9885   11.350   1.0070 -0.5207000 1.411000 
1 1 1   15    7   20 o   5.5290   1.3300   5.1060   1.8910   5.9520   1.8700 -0.8460000 2.659000 
1 1 1   15    7   21 o   8.9520   1.0500   7.8160   1.5290   10.090   1.4400 -2.271000 2.101000 
1 1 1   15    7   22 o   8.5830   0.8962   8.4730   1.2190   8.6920   1.3140 -0.2193000 1.792000 
1 1 1   15    7   23 o   14.580   0.5187   14.970   0.6880   14.190   0.7764 0.7767000 1.037000 
1 1 1   15    7   24 o   15.930   0.4825   16.870   0.6316   15.000   0.7295 1.865000 0.9649000 
1 1 1   15    7   25 o   4.6040   1.1910   4.2990   1.6400   4.9100   1.7260 -0.6116000 2.381000 
1 1 1   15    7   26 o   4.6700   1.1770   3.8090   1.5830   5.5320   1.7420 -1.723000 2.354000 
1 1 1   15    7   27 o   3.7600   1.1030   4.5580   1.6970   2.9630   1.4100 1.595000 2.206000 
1 1 1   15    7   28 o   3.8760   1.2030   3.4100   1.5590   4.3420   1.8310 -0.9320000 2.405000 
1 1 1   15    7   29 o   3.7440   1.1980   4.2670   1.8370   3.2210   1.5390 1.045000 2.396000 
1 1 1   15    7   30 o   3.1780   1.0590   3.3120   1.5270   3.0450   1.4660 0.2665000 2.117000 
1 1 1   15    7   31 o   3.8980   1.2230   3.7020   1.6720   4.0930   1.7840 -0.3908000 2.445000 
1 1 1   15    7   32 o   3.9650   1.2780   3.6870   1.7270   4.2430   1.8850 -0.5557000 2.557000 
1 1 1   15    7   33 o   3.3650   1.1750   3.4510   1.6910   3.2800   1.6320 0.1711000 2.350000 
1 1 1   15    7   34 o   3.0040   1.0240   2.6480   1.3170   3.3590   1.5690 -0.7115000 2.048000 
1 1 1   15    9    0 o   31.370   0.2501   31.220   0.3522   31.520   0.3551 -0.3022000 0.5002000 
1 1 1   15    9    1 f   25.540   0.2424   25.250   0.3431   25.820   0.3425 -0.5725000 0.4848000 
1 1 1   15    9    2 o   16.920   0.2815   16.660   0.3956   17.180   0.4005 -0.5221000 0.5629000 
1 1 1   15    9    3 o   22.600   0.2523   22.620   0.3524   22.590   0.3612 0.2799000E-01 0.5046000 
1 1 1   15    9    4 o   27.310   0.2968   27.320   0.4123   27.300   0.4270 0.2103000E-01 0.5936000 
1 1 1   15    9    5 o   10.150   0.5598   11.730   0.6442   8.5760   0.9157 3.150000 1.120000 
1 1 1   15    9    6 o   24.130   0.2630   24.130   0.3694   24.140   0.3744 -0.4965000E-02 0.5259000 
1 1 1   15    9    7 o   45.510   0.3212   45.560   0.4532   45.450   0.4553 0.1142000 0.6424000 
1 1 1   15    9    8 o   35.870   0.2871   35.640   0.4025   36.100   0.4096 -0.4643000 0.5743000 
1 1 1   15    9    9 o   38.810   0.3681   40.210   0.4284   37.420   0.5988 2.791000 0.7363000 
1 1 1   15    9   10 o   32.890   0.2928   33.400   0.4121   32.380   0.4159 1.013000 0.5855000 
1 1 1   15    9   11 o   62.330   0.4163   62.650   0.5906   62.010   0.5868 0.6411000 0.8326000 
1 1 1   15    9   12 o   36.450   0.3133   36.590   0.4430   36.320   0.4431 0.2684000 0.6266000 
1 1 1   15    9   13 o   70.400   0.5357   70.710   0.7578   70.090   0.7575 0.6218000 1.071000 
1 1 1   15    9   14 o   23.750   0.4068   23.560   0.5567   23.940   0.5933 -0.3758000 0.8136000 
1 1 1   15    9   15 o   25.990   0.5159   24.950   0.8444   27.030   0.5930 -2.086000 1.032000 
1 1 1   15    9   16 o   17.800   0.4810   17.810   0.6649   17.780   0.6953 0.2987000E-01 0.9621000 
1 1 1   15    9   17 o   32.410   0.3442   32.350   0.4786   32.470   0.4949 -0.1237000 0.6884000 
1 1 1   15    9   18 o   31.690   0.3420   32.100   0.4777   31.290   0.4895 0.8084000 0.6839000 
1 1 1   15    9   19 f   10.700   0.8579   10.130   1.2890   11.270   1.1320 -1.144000 1.716000 
1 1 1   15    9   20 o   4.7690   1.2120   6.0070   1.7880   3.5300   1.6380 2.477000 2.425000 
1 1 1   15    9   21 o   11.820   0.6537   12.280   0.8470   11.360   0.9959 0.9251000 1.307000 
1 1 1   15    9   22 o   5.1600   1.2430   3.9230   1.5730   6.3960   1.9250 -2.474000 2.486000 
1 1 1   15    9   23 o   10.530   0.6903   9.4520   1.0360   11.610   0.9127 -2.159000 1.381000 
1 1 1   15    9   24 o   4.3380   1.1030   5.4640   1.6480   3.2120   1.4680 2.251000 2.206000 
1 1 1   15    9   25 o   11.670   0.6532   10.890   0.9589   12.440   0.8872 -1.547000 1.306000 
1 1 1   15    9   26 o   3.8400   1.1430   3.4740   1.5230   4.2070   1.7040 -0.7321000 2.285000 
1 1 1   15    9   27 o   3.1310   1.0320   2.4440   1.2090   3.8170   1.6730 -1.372000 2.064000 
1 1 1   15    9   28 o   4.9320   1.4120   5.1210   2.0200   4.7430   1.9730 0.3776000 2.823000 
1 1 1   15    9   29 o   3.6540   1.1510   4.0780   1.7310   3.2310   1.5160 0.8472000 2.301000 
1 1 1   15    9   30 o   4.1230   1.2510   4.1490   1.7760   4.0970   1.7630 0.5211000E-01 2.503000 
1 1 1   15    9   31 o   5.0450   1.2660   3.5050   1.6210   6.5860   1.9450 -3.081000 2.532000 
1 1 1   15    9   32 o   4.3310   1.4110   4.6000   2.0630   4.0620   1.9260 0.5373000 2.822000 
1 1 1   15    9   33 o   2.9220   1.0120   2.5810   1.3040   3.2630   1.5470 -0.6823000 2.023000 
1 1 1   15    9   34 o   2.6280   0.9226   2.3900   1.2040   2.8660   1.3980 -0.4758000 1.845000 
1 1 1   15   11    0 o   76.810   0.5702   76.700   0.8049   76.920   0.8080 -0.2144000 1.140000 
1 1 1   15   11    1 o   28.930   0.3037   28.740   0.4253   29.130   0.4337 -0.3907000 0.6074000 
1 1 1   15   11    2 o   28.840   0.3088   29.380   0.4323   28.290   0.4410 1.095000 0.6176000 
1 1 1   15   11    3 o   21.700   0.3330   22.690   0.4445   20.720   0.4960 1.974000 0.6661000 
1 1 1   15   11    4 o   21.540   0.2902   21.390   0.4055   21.680   0.4153 -0.2908000 0.5805000 
1 1 1   15   11    5 o   68.590   0.4475   68.830   0.6343   68.360   0.6315 0.4697000 0.8950000 
1 1 1   15   11    6 o   40.250   0.3056   40.650   0.4331   39.840   0.4313 0.8078000 0.6112000 
1 1 1   15   11    7 o   38.810   0.3059   39.140   0.4326   38.480   0.4327 0.6580000 0.6118000 
1 1 1   15   11    8 o   87.180   0.5608   87.510   0.7955   86.850   0.7907 0.6561000 1.122000 
1 1 1   15   11    9 o   13.110   0.5021   13.220   0.6898   13.000   0.7298 0.2162000 1.004000 
1 1 1   15   11   10 o   28.370   0.3167   28.230   0.4414   28.500   0.4543 -0.2679000 0.6334000 
1 1 1   15   11   11 o   26.790   0.3658   26.830   0.4999   26.760   0.5342 0.7030000E-01 0.7316000 
1 1 1   15   11   12 f   67.580   0.5199   67.200   0.7281   67.960   0.7423 -0.7580000 1.040000 
1 1 1   15   11   13 o   54.110   0.3911   54.000   0.5514   54.220   0.5549 -0.2144000 0.7823000 
1 1 1   15   11   14 o   36.400   0.4115   36.330   0.5876   36.470   0.5762 -0.1360000 0.8230000 
1 1 1   15   11   15 o   28.390   0.3616   28.450   0.5056   28.340   0.5171 0.1084000 0.7232000 
1 1 1   15   11   16 o   12.660   0.6456   13.300   0.8452   12.020   0.9762 1.278000 1.291000 
1 1 1   15   11   17 o   15.100   0.5494   15.090   0.7741   15.120   0.7799 -0.2679000E-01 1.099000 
1 1 1   15   11   18 o   6.8420   1.2560   6.6890   1.8180   6.9940   1.7320 -0.3042000 2.511000 
1 1 1   15   11   19 f   3.8430   1.2000   3.9380   1.6890   3.7490   1.7060 0.1887000 2.400000 
1 1 1   15   11   20 o   8.8520   1.0310   7.7270   1.5070   9.9760   1.4070 -2.249000 2.062000 
1 1 1   15   11   21 o   13.620   0.5635   13.930   0.7580   13.320   0.8341 0.6115000 1.127000 
1 1 1   15   11   22 o   5.5780   1.1960   5.3000   1.6620   5.8550   1.7210 -0.5550000 2.393000 
1 1 1   15   11   23 o   10.710   0.6992   10.280   0.9799   11.130   0.9975 -0.8540000 1.398000 
1 1 1   15   11   24 o   5.1090   1.2060   4.4120   1.6540   5.8060   1.7550 -1.394000 2.411000 
1 1 1   15   11   25 o   6.9100   1.1240   7.3120   1.4480   6.5080   1.7190 0.8036000 2.248000 
1 1 1   15   11   26 o   4.3960   1.2180   3.7920   1.6120   5.0000   1.8260 -1.208000 2.435000 
1 1 1   15   11   27 o   3.9160   1.2250   3.7720   1.6750   4.0610   1.7880 -0.2892000 2.450000 
1 1 1   15   11   28 o   10.100   1.0460   9.9780   1.4450   10.220   1.5130 -0.2405000 2.092000 
1 1 1   15   11   29 o   4.1370   1.2340   4.9700   1.9100   3.3040   1.5610 1.667000 2.467000 
1 1 1   15   11   30 o   6.2880   1.3920   6.6630   1.9310   5.9130   2.0070 0.7504000 2.785000 
1 1 1   15   11   31 o   4.0340   1.2850   4.5480   1.9470   3.5190   1.6780 1.029000 2.570000 
1 1 1   15   11   32 o   3.6340   1.2070   3.0750   1.5010   4.1930   1.8920 -1.118000 2.415000 
1 1 1   15   11   33 o   2.8440   0.9856   3.0590   1.4760   2.6280   1.3070 0.4307000 1.971000 
1 1 1   15   13    0 o   42.420   0.3124   42.660   0.4425   42.170   0.4411 0.4918000 0.6248000 
1 1 1   15   13    1 o   42.830   0.3145   43.250   0.4467   42.410   0.4428 0.8444000 0.6290000 
1 1 1   15   13    2 o   37.480   0.3001   37.470   0.4222   37.500   0.4266 -0.2978000E-01 0.6002000 
1 1 1   15   13    3 o  103.600   0.6601  104.100   0.9374  103.000   0.9297 1.074000 1.320000 
1 1 1   15   13    4 o   28.540   0.3474   27.780   0.4798   29.310   0.5025 -1.535000 0.6948000 
1 1 1   15   13    5 o   23.690   0.3237   24.340   0.4489   23.040   0.4665 1.298000 0.6474000 
1 1 1   15   13    6 o   33.810   0.3117   33.750   0.4395   33.860   0.4422 -0.1172000 0.6234000 
1 1 1   15   13    7 o   42.820   0.3342   43.080   0.4705   42.550   0.4748 0.5288000 0.6684000 
1 1 1   15   13    8 o   63.500   0.4921   64.160   0.6991   62.840   0.6926 1.313000 0.9841000 
1 1 1   15   13    9 o   70.600   0.5398   70.730   0.7614   70.460   0.7653 0.2746000 1.080000 
1 1 1   15   13   10 o   74.940   0.5697   75.230   0.8057   74.650   0.8056 0.5772000 1.139000 
1 1 1   15   13   11 o   7.3170   1.1390   7.5550   1.5140   7.0780   1.7020 0.4778000 2.278000 
1 1 1   15   13   12 o   38.190   0.4142   38.630   0.5914   37.740   0.5800 0.8868000 0.8283000 
1 1 1   15   13   13 o   34.250   0.4186   34.290   0.5873   34.210   0.5968 0.8784000E-01 0.8373000 
1 1 1   15   13   14 o   20.030   0.4523   20.670   0.6172   19.380   0.6613 1.286000 0.9045000 
1 1 1   15   13   15 o   21.630   0.4278   21.330   0.5987   21.940   0.6112 -0.6059000 0.8556000 
1 1 1   15   13   16 o   3.6130   1.1540   3.6890   1.6560   3.5360   1.6090 0.1537000 2.309000 
1 1 1   15   13   17 o   6.6370   1.2530   5.9410   1.8400   7.3320   1.7020 -1.391000 2.506000 
1 1 1   15   13   18 f   10.540   0.9199   8.8730   1.3830   12.210   1.2140 -3.332000 1.840000 
1 1 1   15   13   19 o   4.2740   1.2580   4.0020   1.6790   4.5450   1.8740 -0.5427000 2.516000 
1 1 1   15   13   20 o   17.600   0.4395   17.940   0.5995   17.260   0.6430 0.6810000 0.8791000 
1 1 1   15   13   21 o   7.7900   0.9795   6.9470   1.4820   8.6330   1.2810 -1.686000 1.959000 
1 1 1   15   13   22 o   3.9010   1.1390   3.5080   1.5220   4.2930   1.6960 -0.7841000 2.279000 
1 1 1   15   13   23 o   3.7440   1.1290   3.7470   1.5830   3.7410   1.6100 0.5313000E-02 2.258000 
1 1 1   15   13   24 o   10.740   0.7406   10.500   1.0160   10.970   1.0780 -0.4637000 1.481000 
1 1 1   15   13   25 o   5.1750   1.2460   5.7200   1.7440   4.6300   1.7810 1.089000 2.492000 
1 1 1   15   13   26 o   4.5280   1.2560   5.3080   1.8610   3.7490   1.6850 1.559000 2.511000 
1 1 1   15   13   27 o   7.1990   1.3390   8.5660   1.7070   5.8320   2.0640 2.734000 2.678000 
1 1 1   15   13   28 o   5.0220   1.2110   6.7520   1.8530   3.2930   1.5590 3.459000 2.421000 
1 1 1   15   13   29 o   6.1390   1.3620   5.3250   1.8970   6.9530   1.9560 -1.628000 2.725000 
1 1 1   15   13   30 o   4.7730   1.4110   4.3750   1.8980   5.1720   2.0880 -0.7969000 2.822000 
1 1 1   15   13   31 o   5.1350   1.4520   4.1830   1.8620   6.0860   2.2280 -1.903000 2.904000 
1 1 1   15   13   32 o   2.6920   0.9390   2.9010   1.4070   2.4830   1.2440 0.4182000 1.878000 
1 1 1   15   13   33 o   2.0570   0.7510   2.0560   1.0610   2.0580   1.0630 -0.2107000E-02 1.502000 
1 1 1   15   15    0 o   23.630   0.3391   22.960   0.4876   24.300   0.4713 -1.340000 0.6782000 
1 1 1   15   15    1 o   27.750   0.3215   27.850   0.4549   27.650   0.4544 0.2062000 0.6430000 
1 1 1   15   15    2 o   54.630   0.4108   54.690   0.5380   54.570   0.6211 0.1220000 0.8217000 
1 1 1   15   15    3 o   25.860   0.3728   26.340   0.5489   25.380   0.5045 0.9597000 0.7455000 
1 1 1   15   15    4 o   32.010   0.3749   32.790   0.5224   31.230   0.5378 1.555000 0.7498000 
1 1 1   15   15    5 o   52.890   0.4374   53.790   0.6213   51.990   0.6159 1.799000 0.8749000 
1 1 1   15   15    6 o   51.300   0.4332   52.150   0.6155   50.450   0.6097 1.698000 0.8663000 
1 1 1   15   15    7 o   30.800   0.3961   32.390   0.4866   29.210   0.6251 3.172000 0.7922000 
1 1 1   15   15    8 o   11.170   0.7900   10.760   1.1070   11.580   1.1270 -0.8187000 1.580000 
1 1 1   15   15    9 o   39.610   0.3567   39.360   0.5001   39.850   0.5087 -0.4936000 0.7134000 
1 1 1   15   15   10 o   28.330   0.4643   28.270   0.6599   28.390   0.6532 -0.1150000 0.9286000 
1 1 1   15   15   11 o   32.130   0.4489   31.570   0.6509   32.700   0.6185 -1.124000 0.8979000 
1 1 1   15   15   12 f   33.680   0.3630   34.120   0.5131   33.240   0.5137 0.8888000 0.7261000 
1 1 1   15   15   13 o   20.720   0.4451   20.940   0.6103   20.500   0.6482 0.4342000 0.8903000 
1 1 1   15   15   14 o   35.640   0.4075   35.790   0.5828   35.500   0.5697 0.2829000 0.8150000 
1 1 1   15   15   15 o   19.010   0.5150   19.230   0.7272   18.790   0.7295 0.4364000 1.030000 
1 1 1   15   15   16 o   7.2750   1.1100   6.7420   1.5990   7.8090   1.5390 -1.067000 2.219000 
1 1 1   15   15   17 o   16.010   0.5925   16.360   0.7713   15.660   0.8996 0.7004000 1.185000 
1 1 1   15   15   18 o   11.390   0.6911   11.490   0.9226   11.290   1.0290 0.1952000 1.382000 
1 1 1   15   15   19 o   12.910   0.6074   12.560   0.8405   13.250   0.8771 -0.6848000 1.215000 
1 1 1   15   15   20 o   12.740   0.6245   12.290   0.8792   13.180   0.8870 -0.8884000 1.249000 
1 1 1   15   15   21 o   7.3850   1.0650   8.1170   1.3140   6.6530   1.6760 1.463000 2.130000 
1 1 1   15   15   22 o   4.3310   1.1090   2.8370   1.3520   5.8250   1.7600 -2.988000 2.219000 
1 1 1   15   15   23 o   7.7520   1.0540   5.1820   1.7520   10.320   1.1730 -5.140000 2.109000 
1 1 1   15   15   24 o   3.7320   1.1670   3.4950   1.5800   3.9690   1.7180 -0.4741000 2.335000 
1 1 1   15   15   25 o   6.1480   1.3430   6.5500   1.8370   5.7470   1.9600 0.8022000 2.686000 
1 1 1   15   15   26 f   4.3930   1.3220   4.0150   1.7790   4.7720   1.9560 -0.7564000 2.644000 
1 1 1   15   15   27 o   3.6080   1.1540   3.9620   1.7150   3.2540   1.5450 0.7085000 2.308000 
1 1 1   15   15   28 o   5.6480   1.2330   7.5570   1.7880   3.7390   1.6990 3.818000 2.467000 
1 1 1   15   15   29 o   4.7380   1.4110   4.5230   1.9540   4.9520   2.0350 -0.4287000 2.821000 
1 1 1   15   15   30 o   4.3560   1.3600   3.9860   1.8050   4.7250   2.0350 -0.7384000 2.720000 
1 1 1   15   15   31 f   2.4330   0.8645   2.3500   1.1860   2.5170   1.2580 -0.1675000 1.729000 
1 1 1   15   15   32 o   2.4950   0.8896   2.7870   1.3630   2.2030   1.1440 0.5844000 1.779000 
1 1 1   15   17    0 o   34.340   0.3437   34.400   0.4836   34.280   0.4885 0.1180000 0.6873000 
1 1 1   15   17    1 o   51.590   0.3797   51.910   0.5376   51.270   0.5365 0.6395000 0.7595000 
1 1 1   15   17    2 o   53.360   0.3875   53.760   0.5489   52.970   0.5471 0.7943000 0.7749000 
1 1 1   15   17    3 o   22.300   0.4235   21.960   0.5962   22.640   0.6018 -0.6872000 0.8471000 
1 1 1   15   17    4 o   18.960   0.4858   18.300   0.6895   19.620   0.6846 -1.321000 0.9716000 
1 1 1   15   17    5 o   34.190   0.3553   34.310   0.4913   34.060   0.5133 0.2525000 0.7105000 
1 1 1   15   17    6 o   4.6110   1.2240   3.2090   1.5000   6.0120   1.9350 -2.803000 2.449000 
1 1 1   15   17    7 o   18.620   0.5748   19.100   0.6944   18.130   0.9163 0.9711000 1.150000 
1 1 1   15   17    8 o   48.000   0.4420   48.360   0.6215   47.650   0.6286 0.7115000 0.8839000 
1 1 1   15   17    9 o   9.7240   1.1860   10.990   1.4890   8.4580   1.8470 2.531000 2.373000 
1 1 1   15   17   10 o   9.0990   0.9819   9.0690   1.3560   9.1300   1.4200 -0.6122000E-01 1.964000 
1 1 1   15   17   11 o   26.500   0.4520   26.880   0.6452   26.120   0.6332 0.7626000 0.9039000 
1 1 1   15   17   12 o   21.790   0.4982   21.970   0.7022   21.610   0.7070 0.3677000 0.9964000 
1 1 1   15   17   13 o   28.060   0.3774   27.960   0.5285   28.170   0.5388 -0.2093000 0.7547000 
1 1 1   15   17   14 o   14.040   0.6161   15.750   0.7435   12.330   0.9825 3.419000 1.232000 
1 1 1   15   17   15 o   4.5070   1.2700   3.5500   1.5960   5.4630   1.9760 -1.913000 2.540000 
1 1 1   15   17   16 o   12.920   0.7192   11.990   1.0130   13.850   1.0210 -1.862000 1.438000 
1 1 1   15   17   17 o  10.0000   0.8014   10.320   1.0630   9.6930   1.2000 0.6243000 1.603000 
1 1 1   15   17   18 o   15.050   0.5417   14.440   0.7810   15.650   0.7508 -1.217000 1.083000 
1 1 1   15   17   19 o   6.0670   1.1760   4.9440   1.7400   7.1900   1.5830 -2.247000 2.352000 
1 1 1   15   17   20 o   10.500   0.7741   10.730   1.0490   10.270   1.1390 0.4611000 1.548000 
1 1 1   15   17   21 o   6.4510   1.1880   7.2670   1.5550   5.6340   1.7970 1.632000 2.376000 
1 1 1   15   17   22 o   5.3750   1.2830   5.7880   1.7960   4.9610   1.8330 0.8266000 2.567000 
1 1 1   15   17   23 o   6.2680   1.3630   6.3310   1.8730   6.2050   1.9790 0.1261000 2.725000 
1 1 1   15   17   24 o   4.2410   1.2470   4.2940   1.7590   4.1890   1.7670 0.1051000 2.494000 
1 1 1   15   17   25 o   5.6960   1.3320   3.7850   1.7300   7.6070   2.0250 -3.822000 2.663000 
1 1 1   15   17   26 o   3.9150   1.2200   3.9420   1.7160   3.8880   1.7340 0.5393000E-01 2.439000 
1 1 1   15   17   27 o   5.4180   1.3770   5.3640   1.9480   5.4710   1.9480 -0.1065000 2.755000 
1 1 1   15   17   28 o   4.8020   1.4170   5.1450   2.0560   4.4590   1.9520 0.6856000 2.835000 
1 1 1   15   17   29 o   2.9160   1.0210   2.2440   1.1450   3.5870   1.6900 -1.343000 2.041000 
1 1 1   15   17   30 o   3.4170   1.1230   3.6970   1.6720   3.1370   1.4990 0.5603000 2.246000 
1 1 1   15   17   31 o   1.7450   0.6439   1.6730   0.8725   1.8170   0.9471 -0.1441000 1.288000 
1 1 1   15   19    0 o   20.300   0.4616   19.730   0.6607   20.870   0.6449 -1.138000 0.9232000 
1 1 1   15   19    1 o   48.400   0.3725   49.270   0.5298   47.530   0.5237 1.741000 0.7449000 
1 1 1   15   19    2 o   56.190   0.4373   56.430   0.5740   55.950   0.6600 0.4834000 0.8747000 
1 1 1   15   19    3 o   31.160   0.4339   31.210   0.6058   31.110   0.6215 0.9981000E-01 0.8679000 
1 1 1   15   19    4 o   5.0460   1.4070   5.3970   2.0250   4.6950   1.9530 0.7011000 2.813000 
1 1 1   15   19    5 o   6.1690   1.3800   7.6240   1.9450   4.7130   1.9570 2.911000 2.759000 
1 1 1   15   19    6 o   6.5600   1.2990   6.2950   1.8110   6.8240   1.8630 -0.5285000 2.598000 
1 1 1   15   19    7 f   20.030   0.5341   20.510   0.7050   19.550   0.8026 0.9608000 1.068000 
1 1 1   15   19    8 o   20.970   0.5045   21.640   0.6607   20.290   0.7627 1.346000 1.009000 
1 1 1   15   19    9 o   17.670   0.5729   17.350   0.7767   18.000   0.8423 -0.6487000 1.146000 
1 1 1   15   19   10 o   9.3010   0.9138   9.1040   1.2460   9.4980   1.3370 -0.3935000 1.828000 
1 1 1   15   19   11 o   22.780   0.4273   22.410   0.5991   23.160   0.6093 -0.7434000 0.8545000 
1 1 1   15   19   12 o   27.150   0.3712   27.760   0.5136   26.540   0.5359 1.217000 0.7423000 
1 1 1   15   19   13 o   17.320   0.5865   17.570   0.7709   17.070   0.8841 0.4977000 1.173000 
1 1 1   15   19   14 o   16.940   0.5956   17.310   0.7760   16.560   0.9038 0.7529000 1.191000 
1 1 1   15   19   15 o   17.390   0.4894   17.900   0.6590   16.870   0.7237 1.023000 0.9788000 
1 1 1   15   19   16 o   10.650   0.7513   10.260   1.0830   11.040   1.0420 -0.7756000 1.503000 
1 1 1   15   19   17 o   6.8660   1.1620   7.5980   1.4960   6.1350   1.7780 1.463000 2.324000 
1 1 1   15   19   18 o   8.4220   1.0180   9.2770   1.2300   7.5670   1.6230 1.710000 2.036000 
1 1 1   15   19   19 o   4.0270   1.1780   4.3650   1.7190   3.6880   1.6130 0.6769000 2.357000 
1 1 1   15   19   20 o   6.1500   1.2510   6.0710   1.7540   6.2300   1.7850 -0.1591000 2.502000 
1 1 1   15   19   21 o   4.1830   1.2390   4.7050   1.8450   3.6620   1.6550 1.043000 2.479000 
1 1 1   15   19   22 o   3.3990   1.1180   3.6800   1.6600   3.1180   1.4970 0.5624000 2.235000 
1 1 1   15   19   23 o   4.0580   1.2800   4.3430   1.8760   3.7740   1.7420 0.5688000 2.560000 
1 1 1   15   19   24 o   3.9140   1.2750   3.8540   1.7840   3.9740   1.8210 -0.1205000 2.549000 
1 1 1   15   19   25 o   6.4480   1.3590   6.4420   1.9140   6.4530   1.9300 -0.1101000E-01 2.718000 
1 1 1   15   19   26 o   4.0770   1.2590   3.3750   1.6280   4.7800   1.9210 -1.405000 2.517000 
1 1 1   15   19   27 o   3.9350   1.2760   3.4920   1.6580   4.3780   1.9390 -0.8861000 2.551000 
1 1 1   15   19   28 o   3.4910   1.1700   3.6580   1.7020   3.3240   1.6050 0.3333000 2.340000 
1 1 1   15   19   29 o   2.3350   0.8327   2.5410   1.2640   2.1280   1.0840 0.4133000 1.665000 
1 1 1   15   21    0 o   47.330   0.6046   48.120   1.0500   46.530   0.5996 1.587000 1.209000 
1 1 1   15   21    1 o   9.1460   1.4290   11.310   2.0820   6.9820   1.9570 4.328000 2.858000 
1 1 1   15   21    2 f   30.080   0.5629   30.250   0.9576   29.910   0.5919 0.3424000 1.126000 
1 1 1   15   21    3 o   31.210   0.5722   31.060   0.9803   31.360   0.5904 -0.2960000 1.144000 
1 1 1   15   21    4 o   20.410   0.5534   20.760   0.8791   20.060   0.6727 0.7009000 1.107000 
1 1 1   15   21    5 o   24.300   0.4885   24.060   0.7859   24.540   0.5804 -0.4838000 0.9770000 
1 1 1   15   21    6 o   15.570   0.6788   15.630   1.0820   15.510   0.8203 0.1199000 1.358000 
1 1 1   15   21    7 o   7.1440   1.3640   6.7880   2.1630   7.5010   1.6630 -0.7134000 2.728000 
1 1 1   15   21    8 o   7.3730   1.3260   6.4970   2.1590   8.2480   1.5390 -1.751000 2.652000 
1 1 1   15   21    9 o   12.960   0.7312   13.380   1.0590   12.550   1.0090 0.8317000 1.462000 
1 1 1   15   21   10 o   11.030   0.8682   10.800   1.1260   11.250   1.3220 -0.4507000 1.736000 
1 1 1   15   21   11 o   29.080   0.4135   29.460   0.5482   28.710   0.6191 0.7546000 0.8270000 
1 1 1   15   21   12 o   23.040   0.4311   22.820   0.6299   23.270   0.5888 -0.4509000 0.8622000 
1 1 1   15   21   13 o   23.950   0.4048   23.590   0.5721   24.300   0.5727 -0.7124000 0.8095000 
1 1 1   15   21   14 o   24.260   0.4020   23.840   0.5721   24.690   0.5650 -0.8522000 0.8040000 
1 1 1   15   21   15 o   22.600   0.4215   22.370   0.5936   22.830   0.5985 -0.4651000 0.8429000 
1 1 1   15   21   16 o   4.2540   1.1390   5.6340   1.8030   2.8740   1.3900 2.761000 2.277000 
1 1 1   15   21   17 o   5.2520   1.2620   6.1750   1.7900   4.3300   1.7800 1.845000 2.525000 
1 1 1   15   21   18 o   6.2070   1.2330   4.9310   1.8060   7.4830   1.6780 -2.552000 2.466000 
1 1 1   15   21   19 o   6.1250   1.3410   7.0160   1.8130   5.2340   1.9760 1.782000 2.682000 
1 1 1   15   21   20 o   5.8370   1.3740   6.5680   1.9180   5.1070   1.9680 1.461000 2.748000 
1 1 1   15   21   21 o   7.1900   1.3790   6.4230   2.1610   7.9560   1.7140 -1.533000 2.759000 
1 1 1   15   21   22 o   9.0370   1.3310   9.0970   1.8610   8.9770   1.9030 0.1201000 2.661000 
1 1 1   15   21   23 o   6.3020   1.3700   5.6630   1.9350   6.9400   1.9400 -1.277000 2.740000 
1 1 1   15   21   24 f   4.8610   1.3390   3.8730   1.7350   5.8480   2.0410 -1.976000 2.679000 
1 1 1   15   21   25 o   5.2400   1.3960   3.7400   1.7420   6.7400   2.1820 -3.001000 2.792000 
1 1 1   15   21   26 o   3.2820   1.0990   3.3750   1.5830   3.1900   1.5230 0.1846000 2.197000 
1 1 1   15   21   27 o   2.6350   0.9366   2.9750   1.4620   2.2950   1.1710 0.6797000 1.873000 
1 1 1   15   21   28 o   2.1930   0.7930   2.0840   1.0690   2.3010   1.1710 -0.2168000 1.586000 
1 1 1   15   23    0 o   16.840   0.4825   16.270   0.6969   17.400   0.6674 -1.124000 0.9649000 
1 1 1   15   23    1 o   12.910   0.6221   12.640   0.9008   13.190   0.8583 -0.5493000 1.244000 
1 1 1   15   23    2 o   7.1060   1.1270   5.9500   1.7450   8.2610   1.4270 -2.311000 2.254000 
1 1 1   15   23    3 o   36.550   0.3503   36.630   0.4829   36.470   0.5075 0.1652000 0.7005000 
1 1 1   15   23    4 o   11.230   0.7457   11.090   1.0080   11.380   1.0990 -0.2866000 1.491000 
1 1 1   15   23    5 o   9.5220   0.9290   10.850   1.0290   8.1910   1.5470 2.663000 1.858000 
1 1 1   15   23    6 o   9.4830   1.0030   8.2420   1.4880   10.720   1.3450 -2.483000 2.006000 
1 1 1   15   23    7 o   5.0520   1.3200   4.4830   1.7630   5.6220   1.9660 -1.138000 2.641000 
1 1 1   15   23    8 o   13.930   0.6878   14.140   0.8691   13.730   1.0660 0.4063000 1.376000 
1 1 1   15   23    9 o   7.6060   1.1040   6.1600   1.7050   9.0520   1.4020 -2.892000 2.208000 
1 1 1   15   23   10 o   4.5780   1.2440   4.4830   1.7340   4.6720   1.7830 -0.1887000 2.487000 
1 1 1   15   23   11 o   12.850   0.8063   12.380   1.3070   13.320   0.9438 -0.9384000 1.613000 
1 1 1   15   23   12 o   9.4220   1.1750   7.5240   2.0740   11.320   1.1050 -3.796000 2.350000 
1 1 1   15   23   13 o   26.460   0.4704   26.880   0.7460   26.040   0.5733 0.8463000 0.9408000 
1 1 1   15   23   14 o   9.3590   1.2350   10.790   1.8710   7.9280   1.6120 2.862000 2.470000 
1 1 1   15   23   15 o   5.2920   1.4650   5.7950   2.2840   4.7890   1.8340 1.006000 2.929000 
1 1 1   15   23   16 o   5.1580   1.5180   5.3450   2.3360   4.9710   1.9390 0.3742000 3.036000 
1 1 1   15   23   17 o   8.6650   1.6170   9.1660   2.6460   8.1650   1.8590 1.001000 3.234000 
1 1 1   15   23   18 o   11.050   1.1260   12.100   1.8120   10.010   1.3380 2.090000 2.252000 
1 1 1   15   23   19 f   4.2750   1.3180   3.8450   1.8500   4.7040   1.8790 -0.8588000 2.637000 
1 1 1   15   23   20 o   7.4490   1.6110   8.7950   2.3600   6.1030   2.1940 2.692000 3.223000 
1 1 1   15   23   21 o   4.9550   1.4370   4.5470   2.0580   5.3620   2.0050 -0.8154000 2.873000 
1 1 1   15   23   22 o   3.7070   1.2490   4.2390   1.9820   3.1760   1.5200 1.063000 2.497000 
1 1 1   15   23   23 o   4.1510   1.3750   3.8870   1.9440   4.4150   1.9440 -0.5286000 2.749000 
1 1 1   15   23   24 o   4.0420   1.2960   3.7180   1.8070   4.3670   1.8580 -0.6484000 2.592000 
1 1 1   15   23   25 o   2.6090   0.9346   2.5010   1.2780   2.7180   1.3640 -0.2170000 1.869000 
1 1 1   15   23   26 o   2.5530   0.9153   2.2120   1.1390   2.8940   1.4330 -0.6814000 1.831000 
1 1 1   15   25    0 o   30.350   0.3931   30.260   0.5489   30.450   0.5629 -0.1894000 0.7862000 
1 1 1   15   25    1 o   5.8020   1.3300   5.3800   1.8650   6.2250   1.8970 -0.8442000 2.660000 
1 1 1   15   25    2 o   15.490   0.6072   14.890   0.8598   16.090   0.8576 -1.199000 1.214000 
1 1 1   15   25    3 o   13.950   0.6269   13.670   0.8629   14.220   0.9096 -0.5528000 1.254000 
1 1 1   15   25    4 o   10.740   0.8008   10.800   1.0630   10.670   1.1980 0.1320000 1.602000 
1 1 1   15   25    5 o   16.650   0.5338   16.480   0.7199   16.830   0.7882 -0.3459000 1.068000 
1 1 1   15   25    6 o   12.260   0.6948   11.840   0.9678   12.670   0.9973 -0.8307000 1.390000 
1 1 1   15   25    7 o   17.530   0.5018   17.670   0.6709   17.380   0.7464 0.2881000 1.004000 
1 1 1   15   25    8 o   4.3850   1.1740   2.9870   1.4110   5.7820   1.8780 -2.795000 2.349000 
1 1 1   15   25    9 o   5.4240   1.2600   4.5780   1.7500   6.2700   1.8130 -1.692000 2.520000 
1 1 1   15   25   10 o   5.7260   1.2990   5.9830   1.7950   5.4690   1.8770 0.5145000 2.597000 
1 1 1   15   25   11 o   12.600   0.7152   12.490   0.9726   12.720   1.0490 -0.2293000 1.430000 
1 1 1   15   25   12 o   5.8470   1.3250   5.5780   1.8530   6.1170   1.8950 -0.5396000 2.650000 
1 1 1   15   25   13 o   9.0950   1.1270   10.150   1.3550   8.0430   1.8010 2.103000 2.254000 
1 1 1   15   25   14 o   5.5660   1.3400   4.2820   1.8230   6.8500   1.9630 -2.568000 2.679000 
1 1 1   15   25   15 o   4.0800   1.2100   3.2290   1.5160   4.9320   1.8870 -1.703000 2.420000 
1 1 1   15   25   16 o   4.5480   1.3060   4.1060   1.7760   4.9890   1.9160 -0.8836000 2.612000 
1 1 1   15   25   17 o   3.6520   1.2050   2.7720   1.3890   4.5330   1.9690 -1.761000 2.410000 
1 1 1   15   25   18 o   8.6270   1.4260   7.2170   2.2040   10.040   1.8090 -2.821000 2.852000 
1 1 1   15   25   19 o   5.0170   1.2370   3.0480   1.4770   6.9860   1.9860 -3.938000 2.475000 
1 1 1   15   25   20 o   3.2370   1.0960   2.6910   1.3390   3.7830   1.7350 -1.092000 2.191000 
1 1 1   15   25   21 o   4.1180   1.2930   3.4210   1.6450   4.8150   1.9940 -1.394000 2.585000 
1 1 1   15   25   22 o   2.6900   0.9438   2.7260   1.3470   2.6540   1.3220 0.7229000E-01 1.888000 
1 1 1   15   25   23 o   3.0810   1.0680   2.4730   1.2500   3.6900   1.7320 -1.217000 2.136000 
1 1 1   15   25   24 o   2.8600   0.9991   2.9350   1.4390   2.7860   1.3860 0.1498000 1.998000 
1 1 1   15   27    0 o   5.8630   1.1780   4.2860   1.7270   7.4400   1.6010 -3.154000 2.355000 
1 1 1   15   27    1 o   19.150   0.4671   18.970   0.6574   19.330   0.6639 -0.3559000 0.9343000 
1 1 1   15   27    2 o   14.470   0.6539   13.820   0.8672   15.120   0.9789 -1.296000 1.308000 
1 1 1   15   27    3 o   5.1340   1.1610   3.0060   1.4300   7.2610   1.8300 -4.254000 2.323000 
1 1 1   15   27    4 o   15.490   0.6063   14.700   0.8600   16.280   0.8548 -1.580000 1.213000 
1 1 1   15   27    5 o   4.2850   1.2570   3.9940   1.6950   4.5750   1.8560 -0.5819000 2.513000 
1 1 1   15   27    6 o   4.2830   1.2150   5.1540   1.8360   3.4120   1.5920 1.742000 2.430000 
1 1 1   15   27    7 o   4.4850   1.3240   4.5560   1.8630   4.4150   1.8820 0.1411000 2.648000 
1 1 1   15   27    8 o   14.270   0.7398   13.450   1.0670   15.090   1.0250 -1.644000 1.480000 
1 1 1   15   27    9 o   10.640   0.9897   10.560   1.3570   10.730   1.4410 -0.1716000 1.979000 
1 1 1   15   27   10 o   3.8180   1.2080   3.0700   1.4880   4.5670   1.9030 -1.497000 2.416000 
1 1 1   15   27   11 f   14.650   0.6453   15.350   0.8515   13.950   0.9699 1.398000 1.291000 
1 1 1   15   27   12 o   5.7420   1.3570   5.3840   1.8890   6.1000   1.9500 -0.7157000 2.715000 
1 1 1   15   27   13 o   6.4240   1.3230   5.3370   1.9120   7.5100   1.8300 -2.174000 2.646000 
1 1 1   15   27   14 o   4.0300   1.2490   2.9460   1.4280   5.1140   2.0490 -2.168000 2.498000 
1 1 1   15   27   15 o   6.5500   1.4270   8.3070   1.9990   4.7930   2.0360 3.514000 2.853000 
1 1 1   15   27   16 o   9.9410   1.1510   10.290   1.6810   9.5970   1.5730 0.6889000 2.302000 
1 1 1   15   27   17 o   3.3250   1.1140   3.0260   1.4660   3.6230   1.6770 -0.5976000 2.227000 
1 1 1   15   27   18 o   4.7220   1.4410   4.6830   2.0580   4.7610   2.0180 -0.7790000E-01 2.882000 
1 1 1   15   27   19 o   3.0430   1.0590   2.9970   1.4760   3.0900   1.5200 -0.9338000E-01 2.118000 
1 1 1   15   27   20 o   3.0240   1.0320   2.6340   1.3090   3.4140   1.5950 -0.7794000 2.063000 
1 1 1   15   27   21 o   2.2890   0.8246   2.3320   1.1850   2.2460   1.1470 0.8549000E-01 1.649000 
1 1 1   15   27   22 o   1.3880   0.5124   1.4020   0.7322   1.3730   0.7169 0.2933000E-01 1.025000 
1 1 1   15   29    0 o   16.150   0.6462   15.300   0.9614   17.000   0.8637 -1.697000 1.292000 
1 1 1   15   29    1 o   5.2530   1.3120   5.7130   1.8630   4.7920   1.8480 0.9206000 2.624000 
1 1 1   15   29    2 o   7.9940   1.2360   9.3690   1.3700   6.6200   2.0580 2.749000 2.472000 
1 1 1   15   29    3 o   5.7950   1.3600   5.9290   1.8890   5.6610   1.9570 0.2681000 2.720000 
1 1 1   15   29    4 o   8.3670   1.1670   9.9310   1.3060   6.8040   1.9340 3.128000 2.334000 
1 1 1   15   29    5 o   3.7200   1.1800   3.9640   1.7190   3.4760   1.6180 0.4880000 2.361000 
1 1 1   15   29    6 o   5.4990   1.3620   4.8950   1.8610   6.1020   1.9900 -1.207000 2.724000 
1 1 1   15   29    7 o   6.4960   1.3220   5.3170   1.9120   7.6740   1.8280 -2.357000 2.645000 
1 1 1   15   29    8 o   5.5000   1.3010   6.7520   1.8650   4.2470   1.8150 2.504000 2.602000 
1 1 1   15   29    9 o   3.6710   1.1740   3.4020   1.5730   3.9410   1.7420 -0.5397000 2.347000 
1 1 1   15   29   10 f   8.9920   1.1200   8.2500   1.6660   9.7340   1.4980 -1.484000 2.240000 
1 1 1   15   29   11 o   4.6690   1.3980   4.9790   2.0360   4.3590   1.9160 0.6201000 2.796000 
1 1 1   15   29   12 o   6.8350   1.5040   6.4790   2.1440   7.1910   2.1100 -0.7121000 3.008000 
1 1 1   15   29   13 o   5.3570   1.3840   4.7350   1.9000   5.9800   2.0140 -1.246000 2.769000 
1 1 1   15   29   14 o   4.0070   1.2840   4.3640   1.9040   3.6500   1.7240 0.7139000 2.569000 
1 1 1   15   29   15 f   3.5470   1.1910   3.9000   1.8010   3.1950   1.5600 0.7043000 2.382000 
1 1 1   15   29   16 o   3.5060   1.1290   2.7510   1.3550   4.2600   1.8070 -1.509000 2.258000 
1 1 1   15   29   17 o   2.7160   0.9480   2.9690   1.4370   2.4630   1.2360 0.5053000 1.896000 
1 1 1   15   29   18 o   2.1540   0.7755   2.1980   1.1150   2.1100   1.0780 0.8737000E-01 1.551000 
1 1 1   15   29   19 f   2.1140   0.7771   2.0590   1.0710   2.1690   1.1270 -0.1100000 1.554000 
1 1 1   15   31    0 o   5.0420   1.2610   6.2960   1.8700   3.7880   1.6930 2.508000 2.523000 
1 1 1   15   31    1 o   9.2060   1.1070   11.740   1.1090   6.6720   1.9150 5.068000 2.213000 
1 1 1   15   31    2 o   5.4550   1.3620   4.8040   1.8640   6.1070   1.9870 -1.303000 2.725000 
1 1 1   15   31    3 o   9.9630   0.9890   9.8140   1.3630   10.110   1.4330 -0.2978000 1.978000 
1 1 1   15   31    4 o   3.9370   1.2540   3.4880   1.6050   4.3850   1.9260 -0.8975000 2.507000 
1 1 1   15   31    5 o   3.9240   1.2700   3.2550   1.5750   4.5940   1.9920 -1.339000 2.539000 
1 1 1   15   31    6 o   4.9730   1.4480   4.5570   1.9560   5.3900   2.1340 -0.8329000 2.895000 
1 1 1   15   31    7 o   6.2090   1.4950   5.1270   2.0540   7.2910   2.1710 -2.164000 2.989000 
1 1 1   15   31    8 o   4.2410   1.3580   5.5250   2.2840   2.9560   1.4680 2.569000 2.715000 
1 1 1   15   31    9 o   2.8330   1.0010   2.5790   1.2980   3.0880   1.5230 -0.5085000 2.001000 
1 1 1   15   31   10 o   3.3010   1.1200   3.6500   1.6950   2.9510   1.4630 0.6991000 2.239000 
1 1 1   15   31   11 o   9.5150   1.1540   9.0690   1.5520   9.9600   1.7090 -0.8915000 2.308000 
1 1 1   15   31   12 o   3.1420   1.0550   3.5430   1.6210   2.7410   1.3500 0.8021000 2.110000 
1 1 1   15   31   13 o   3.0730   1.0410   3.0940   1.4730   3.0530   1.4700 0.4117000E-01 2.081000 
1 1 1   15   31   14 o   3.8010   1.1670   4.6190   1.8370   2.9830   1.4390 1.636000 2.333000 
1 1 1   15   31   15 o   2.0900   0.7684   2.0630   1.0720   2.1170   1.1010 -0.5429000E-01 1.537000 
1 1 1   15   33    0 o   3.9240   1.2560   4.1080   1.8160   3.7400   1.7360 0.3680000 2.512000 
1 1 1   15   33    1 o   2.4230   0.8607   2.4390   1.2220   2.4080   1.2120 0.3081000E-01 1.721000 
1 1 1   15   33    2 o   2.8490   0.9833   3.0410   1.4590   2.6570   1.3190 0.3838000 1.967000 
1 1 1   15   33    3 o   3.9980   1.2360   4.0930   1.7590   3.9040   1.7380 0.1892000 2.472000 
1 1 1   15   33    4 o   8.4740   1.1520   8.5210   1.5680   8.4270   1.6880 0.9445000E-01 2.304000 
1 1 1   15   33    5 f   3.1220   1.0530   2.8210   1.3750   3.4230   1.5950 -0.6024000 2.105000 
1 1 1   15   33    6 o   2.5270   0.8922   2.8230   1.3780   2.2320   1.1330 0.5915000 1.784000 
1 1 1   15   33    7 o   2.3390   0.8355   2.0960   1.0680   2.5830   1.2850 -0.4868000 1.671000 
1 1 1   15   33    8 o   3.6160   1.1530   3.4540   1.5810   3.7770   1.6800 -0.3222000 2.307000 
1 1 1   15   33    9 o   3.2210   1.0720   3.4730   1.5910   2.9680   1.4380 0.5058000 2.145000 
1 1 1   16    0    0 o   88.280   0.7854   88.280   0.7854   88.280   0.7854 -0.000000 0.000000 
1 1 1   16    0    1 o   99.830   0.8876   99.830   0.8876   99.830   0.8876 -0.000000 0.000000 
1 1 1   16    0    2 o   72.760   0.9191   72.760   0.9191   72.760   0.9191 -0.000000 0.000000 
1 1 1   16    0    3 o   77.670   0.6941   77.670   0.6941   77.670   0.6941 0.000000 0.000000 
1 1 1   16    0    4 o   21.140   0.2707   21.140   0.2707   21.140   0.2707 0.000000 0.000000 
1 1 1   16    0    5 o   32.510   0.3278   32.510   0.3278   32.510   0.3278 -0.000000 0.000000 
1 1 1   16    0    6 o   25.820   0.3001   25.820   0.3001   25.820   0.3001 0.000000 0.000000 
1 1 1   16    0    7 o   1.7980   1.2170   1.7980   1.2170   1.7980   1.2170 -0.000000 0.000000 
1 1 1   16    0    8 o   2.4110   1.5010   2.4110   1.5010   2.4110   1.5010 0.000000 0.000000 
1 1 1   16    0    9 o   1.1520   0.8352   1.1520   0.8352   1.1520   0.8352 -0.000000 0.000000 
1 1 1   16    0   10 o   7.5380   0.7774   7.5380   0.7774   7.5380   0.7774 -0.000000 0.000000 
1 1 1   16    0   11 o   50.530   0.4800   50.530   0.4800   50.530   0.4800 -0.000000 0.000000 
1 1 1   16    0   12 f   24.290   0.3677   24.290   0.3677   24.290   0.3677 -0.000000 0.000000 
1 1 1   16    0   13 o   21.260   0.4198   21.260   0.4198   21.260   0.4198 -0.000000 0.000000 
1 1 1   16    0   14 o   49.400   0.4869   49.400   0.4869   49.400   0.4869 -0.000000 0.000000 
1 1 1   16    0   15 o   2.0120   1.3790   2.0120   1.3790   2.0120   1.3790 -0.000000 0.000000 
1 1 1   16    0   16 o   4.1290   2.2050   4.1290   2.2050   4.1290   2.2050 0.000000 0.000000 
1 1 1   16    0   17 o   10.550   1.2890   10.550   1.2890   10.550   1.2890 0.000000 0.000000 
1 1 1   16    0   18 o   55.480   0.5528   55.480   0.5528   55.480   0.5528 0.000000 0.000000 
1 1 1   16    0   19 o   20.330   0.5867   20.330   0.5867   20.330   0.5867 -0.000000 0.000000 
1 1 1   16    0   20 o   2.4830   1.6420   2.4830   1.6420   2.4830   1.6420 0.000000 0.000000 
1 1 1   16    0   21 o   7.7200   2.2950   7.7200   2.2950   7.7200   2.2950 0.000000 0.000000 
1 1 1   16    0   22 o   2.4230   1.6970   2.4230   1.6970   2.4230   1.6970 0.000000 0.000000 
1 1 1   16    0   23 o   1.4870   1.0850   1.4870   1.0850   1.4870   1.0850 -0.000000 0.000000 
1 1 1   16    0   24 o   2.5670   1.6570   2.5670   1.6570   2.5670   1.6570 0.000000 0.000000 
1 1 1   16    0   25 o   18.560   0.5906   18.560   0.5906   18.560   0.5906 -0.000000 0.000000 
1 1 1   16    0   26 o   7.4300   1.5460   7.4300   1.5460   7.4300   1.5460 -0.000000 0.000000 
1 1 1   16    0   27 o   3.8590   2.0340   3.8590   2.0340   3.8590   2.0340 -0.000000 0.000000 
1 1 1   16    0   28 o   11.940   0.9531   11.940   0.9531   11.940   0.9531 0.000000 0.000000 
1 1 1   16    0   29 o   2.6700   1.8220   2.6700   1.8220   2.6700   1.8220 0.000000 0.000000 
1 1 1   16    0   30 o   7.1570   2.0040   7.1570   2.0040   7.1570   2.0040 -0.000000 0.000000 
1 1 1   16    0   31 o   4.9860   2.3420   4.9860   2.3420   4.9860   2.3420 -0.000000 0.000000 
1 1 1   16    0   32 o   2.4340   1.6780   2.4340   1.6780   2.4340   1.6780 -0.000000 0.000000 
1 1 1   16    0   33 o   2.2150   1.6060   2.2150   1.6060   2.2150   1.6060 0.000000 0.000000 
1 1 1   16    0   34 o   2.9420   1.9220   2.9420   1.9220   2.9420   1.9220 0.000000 0.000000 
1 1 1   16    0   35 o   2.7790   1.8420   2.7790   1.8420   2.7790   1.8420 0.000000 0.000000 
1 1 1   16    2    0 o   25.990   0.2367   26.100   0.3708   25.890   0.2943 0.2041000 0.4734000 
1 1 1   16    2    1 o   38.960   0.2935   39.430   0.4186   38.500   0.4116 0.9245000 0.5871000 
1 1 1   16    2    2 o   31.330   0.2544   31.650   0.3629   31.010   0.3565 0.6417000 0.5087000 
1 1 1   16    2    3 o   31.600   0.2603   32.020   0.3712   31.190   0.3652 0.8240000 0.5207000 
1 1 1   16    2    4 o   24.410   0.2007   24.720   0.2819   24.090   0.2858 0.6291000 0.4014000 
1 1 1   16    2    5 o   40.460   0.2733   40.600   0.3871   40.310   0.3859 0.2903000 0.5466000 
1 1 1   16    2    6 o   15.410   0.2361   15.830   0.3262   14.980   0.3413 0.8448000 0.4721000 
1 1 1   16    2    7 o   38.640   0.3093   38.410   0.4364   38.870   0.4384 -0.4659000 0.6185000 
1 1 1   16    2    8 o   22.260   0.2681   22.070   0.3688   22.460   0.3893 -0.3916000 0.5363000 
1 1 1   16    2    9 o   60.920   0.3959   60.900   0.5596   60.940   0.5602 -0.4155000E-01 0.7918000 
1 1 1   16    2   10 o   41.620   0.2932   41.630   0.4132   41.610   0.4160 0.1640000E-01 0.5864000 
1 1 1   16    2   11 o   13.610   0.3649   13.170   0.4970   14.050   0.5345 -0.8774000 0.7298000 
1 1 1   16    2   12 o   11.970   0.4135   12.340   0.5631   11.590   0.6056 0.7497000 0.8269000 
1 1 1   16    2   13 o   49.780   0.3444   50.420   0.4901   49.140   0.4839 1.278000 0.6887000 
1 1 1   16    2   14 o   37.570   0.3015   37.600   0.4247   37.550   0.4282 0.5875000E-01 0.6031000 
1 1 1   16    2   15 o   12.350   0.5266   12.270   0.7393   12.430   0.7503 -0.1692000 1.053000 
1 1 1   16    2   16 o   26.620   0.4460   26.940   0.6320   26.290   0.6294 0.6491000 0.8920000 
1 1 1   16    2   17 o   29.940   0.4572   28.750   0.7473   31.130   0.5270 -2.378000 0.9144000 
1 1 1   16    2   18 o   10.260   0.7582   9.7220   1.1240   10.790   1.0180 -1.072000 1.516000 
1 1 1   16    2   19 o   16.710   0.4866   16.980   0.6878   16.440   0.6885 0.5390000 0.9732000 
1 1 1   16    2   20 o   5.0360   1.2140   4.4450   1.7100   5.6270   1.7220 -1.182000 2.427000 
1 1 1   16    2   21 o   3.7750   1.2280   3.9420   1.7770   3.6090   1.6940 0.3333000 2.455000 
1 1 1   16    2   22 o   11.480   0.7883   11.660   1.0120   11.300   1.2090 0.3605000 1.577000 
1 1 1   16    2   23 o   3.5500   1.0840   3.6210   1.5400   3.4780   1.5260 0.1429000 2.168000 
1 1 1   16    2   24 o   6.1390   1.0470   7.6670   1.2810   4.6110   1.6570 3.056000 2.095000 
1 1 1   16    2   25 o   3.4910   1.0420   4.3180   1.6430   2.6640   1.2820 1.654000 2.084000 
1 1 1   16    2   26 o   3.2350   1.0250   3.4280   1.4930   3.0420   1.4050 0.3869000 2.051000 
1 1 1   16    2   27 o   6.6820   1.1310   5.9010   1.7130   7.4620   1.4760 -1.561000 2.262000 
1 1 1   16    2   28 o   4.7720   1.0450   6.6450   1.5660   2.8980   1.3840 3.747000 2.090000 
1 1 1   16    2   29 o   3.7660   1.2130   3.2060   1.5560   4.3260   1.8620 -1.120000 2.427000 
1 1 1   16    2   30 o   8.0100   1.1280   10.170   1.2050   5.8540   1.9080 4.312000 2.256000 
1 1 1   16    2   31 o   6.1140   1.2590   4.3070   1.8090   7.9210   1.7510 -3.615000 2.518000 
1 1 1   16    2   32 o   3.6490   1.1870   2.9990   1.4440   4.2980   1.8850 -1.299000 2.374000 
1 1 1   16    2   33 f   4.2090   1.3850   3.7100   1.7910   4.7090   2.1130 -0.9984000 2.770000 
1 1 1   16    2   34 o   3.2220   1.0860   3.1320   1.5020   3.3120   1.5690 -0.1804000 2.172000 
1 1 1   16    2   35 o   2.1500   0.7750   2.1780   1.1090   2.1220   1.0830 0.5576000E-01 1.550000 
1 1 1   16    4    0 f   70.510   0.4468   70.710   0.6334   70.310   0.6302 0.4028000 0.8935000 
1 1 1   16    4    1 o   57.660   0.3692   57.290   0.5188   58.040   0.5254 -0.7431000 0.7384000 
1 1 1   16    4    2 o   26.440   0.2465   26.910   0.3517   25.970   0.3456 0.9379000 0.4931000 
1 1 1   16    4    3 o   31.050   0.2487   31.610   0.3248   30.500   0.3766 1.108000 0.4973000 
1 1 1   16    4    4 o   52.660   0.3428   53.380   0.4905   51.940   0.4791 1.445000 0.6857000 
1 1 1   16    4    5 o   76.840   0.5644   77.520   0.8050   76.170   0.7912 1.351000 1.129000 
1 1 1   16    4    6 o   55.160   0.4139   55.290   0.5870   55.030   0.5836 0.2571000 0.8278000 
1 1 1   16    4    7 o   40.150   0.3259   40.520   0.4607   39.780   0.4611 0.7389000 0.6518000 
1 1 1   16    4    8 o   29.760   0.2846   29.710   0.3971   29.810   0.4077 -0.9775000E-01 0.5691000 
1 1 1   16    4    9 f   39.260   0.2819   39.170   0.3966   39.350   0.4007 -0.1814000 0.5637000 
1 1 1   16    4   10 o   61.350   0.4014   61.270   0.5663   61.430   0.5691 -0.1590000 0.8029000 
1 1 1   16    4   11 o   66.330   0.4315   66.490   0.6109   66.170   0.6095 0.3209000 0.8629000 
1 1 1   16    4   12 o   54.550   0.3680   54.750   0.5210   54.360   0.5198 0.3814000 0.7360000 
1 1 1   16    4   13 o   8.5460   0.6544   8.7330   0.8835   8.3580   0.9656 0.3754000 1.309000 
1 1 1   16    4   14 o   47.710   0.3431   47.860   0.4838   47.570   0.4867 0.2909000 0.6863000 
1 1 1   16    4   15 o   6.9010   1.0210   6.1650   1.5350   7.6380   1.3470 -1.472000 2.042000 
1 1 1   16    4   16 o   25.600   0.4635   26.030   0.6458   25.180   0.6651 0.8536000 0.9270000 
1 1 1   16    4   17 o   37.920   0.3904   37.760   0.5569   38.070   0.5472 -0.3169000 0.7808000 
1 1 1   16    4   18 o   20.310   0.4274   20.450   0.5862   20.180   0.6221 0.2754000 0.8548000 
1 1 1   16    4   19 o   13.150   0.5941   13.240   0.8168   13.060   0.8630 0.1854000 1.188000 
1 1 1   16    4   20 o   23.570   0.3672   23.690   0.5076   23.440   0.5307 0.2522000 0.7344000 
1 1 1   16    4   21 o   4.8420   1.4260   4.6790   1.9530   5.0050   2.0790 -0.3266000 2.853000 
1 1 1   16    4   22 o   17.850   0.4443   18.400   0.5841   17.300   0.6698 1.104000 0.8886000 
1 1 1   16    4   23 o   8.1090   0.9004   7.2240   1.3800   8.9950   1.1570 -1.771000 1.801000 
1 1 1   16    4   24 o   10.570   0.7077   12.100   0.8439   9.0490   1.1360 3.049000 1.415000 
1 1 1   16    4   25 o   8.6430   0.8670   9.2530   1.1080   8.0340   1.3340 1.219000 1.734000 
1 1 1   16    4   26 o   13.120   0.5707   12.810   0.8165   13.420   0.7975 -0.6013000 1.141000 
1 1 1   16    4   27 o   13.740   0.5715   14.370   0.7698   13.110   0.8450 1.259000 1.143000 
1 1 1   16    4   28 o   4.4950   1.2310   4.5250   1.7260   4.4640   1.7560 0.6104000E-01 2.462000 
1 1 1   16    4   29 o   3.6650   1.2050   3.5250   1.6460   3.8060   1.7600 -0.2817000 2.410000 
1 1 1   16    4   30 o   6.9830   1.2530   7.0590   1.7180   6.9070   1.8240 0.1518000 2.506000 
1 1 1   16    4   31 o   7.6130   1.2590   8.3790   1.6310   6.8460   1.9170 1.532000 2.517000 
1 1 1   16    4   32 o   4.3800   1.2880   3.9310   1.7390   4.8280   1.9010 -0.8971000 2.576000 
1 1 1   16    4   33 o   5.0460   1.5460   5.2630   2.2060   4.8280   2.1670 0.4358000 3.092000 
1 1 1   16    4   34 o   3.1860   1.0680   2.4310   1.2240   3.9400   1.7510 -1.509000 2.136000 
1 1 1   16    4   35 o   2.5300   0.8967   2.1340   1.0870   2.9260   1.4260 -0.7927000 1.793000 
1 1 1   16    6    0 o   39.440   0.3140   39.650   0.4463   39.240   0.4418 0.4075000 0.6280000 
1 1 1   16    6    1 o   43.710   0.3423   43.670   0.4825   43.750   0.4856 -0.7779000E-01 0.6845000 
1 1 1   16    6    2 o   83.730   0.5322   83.480   0.7502   83.970   0.7552 -0.4911000 1.064000 
1 1 1   16    6    3 o   17.100   0.2520   17.020   0.3555   17.180   0.3574 -0.1579000 0.5041000 
1 1 1   16    6    4 o   25.550   0.2537   25.770   0.3583   25.340   0.3594 0.4308000 0.5075000 
1 1 1   16    6    5 o   49.160   0.3277   49.540   0.4659   48.780   0.4610 0.7643000 0.6554000 
1 1 1   16    6    6 o   24.890   0.2356   25.300   0.3332   24.490   0.3331 0.8114000 0.4712000 
1 1 1   16    6    7 o   32.180   0.2976   32.280   0.4173   32.070   0.4245 0.2084000 0.5953000 
1 1 1   16    6    8 o   38.950   0.2819   39.030   0.3989   38.860   0.3985 0.1690000 0.5639000 
1 1 1   16    6    9 o   57.860   0.3819   57.800   0.5392   57.910   0.5408 -0.1116000 0.7637000 
1 1 1   16    6   10 o   61.280   0.4032   61.230   0.5692   61.330   0.5711 -0.1001000 0.8063000 
1 1 1   16    6   11 o   67.580   0.4411   67.800   0.6254   67.350   0.6222 0.4570000 0.8821000 
1 1 1   16    6   12 o   32.440   0.2872   32.680   0.4033   32.190   0.4089 0.4951000 0.5744000 
1 1 1   16    6   13 o   29.710   0.2980   29.590   0.4164   29.820   0.4263 -0.2271000 0.5959000 
1 1 1   16    6   14 o   47.750   0.3493   47.560   0.4907   47.940   0.4974 -0.3780000 0.6987000 
1 1 1   16    6   15 o   48.010   0.4047   48.230   0.5666   47.790   0.5780 0.4448000 0.8094000 
1 1 1   16    6   16 o   15.700   0.6226   15.260   0.9126   16.130   0.8472 -0.8623000 1.245000 
1 1 1   16    6   17 o   34.780   0.3398   34.740   0.4776   34.830   0.4834 -0.9208000E-01 0.6795000 
1 1 1   16    6   18 o   35.280   0.3448   35.660   0.4827   34.910   0.4926 0.7583000 0.6897000 
1 1 1   16    6   19 o   10.310   0.7830   9.4670   1.1490   11.160   1.0640 -1.695000 1.566000 
1 1 1   16    6   20 o   14.280   0.6541   14.090   0.9501   14.480   0.8992 -0.3922000 1.308000 
1 1 1   16    6   21 o   16.960   0.5668   17.150   0.7038   16.780   0.8888 0.3662000 1.134000 
1 1 1   16    6   22 o   25.610   0.3574   26.000   0.4881   25.230   0.5221 0.7711000 0.7147000 
1 1 1   16    6   23 o   9.7930   0.7589   9.3330   1.0540   10.250   1.0920 -0.9202000 1.518000 
1 1 1   16    6   24 o   6.6830   1.0860   5.9690   1.5730   7.3970   1.4980 -1.429000 2.172000 
1 1 1   16    6   25 o   9.4970   0.8005   9.2940   1.1040   9.7010   1.1590 -0.4075000 1.601000 
1 1 1   16    6   26 o   5.9220   1.1750   6.6150   1.5330   5.2290   1.7820 1.386000 2.350000 
1 1 1   16    6   27 o   10.140   0.7840   10.260   1.0500   10.030   1.1640 0.2350000 1.568000 
1 1 1   16    6   28 o   4.7790   1.3230   4.9290   1.8610   4.6290   1.8800 0.2992000 2.645000 
1 1 1   16    6   29 o   4.8830   1.3140   5.9340   1.9720   3.8320   1.7360 2.103000 2.627000 
1 1 1   16    6   30 o   6.9960   1.2930   6.3760   1.8430   7.6160   1.8140 -1.240000 2.586000 
1 1 1   16    6   31 o   4.1240   1.2640   4.2260   1.8070   4.0230   1.7680 0.2030000 2.528000 
1 1 1   16    6   32 o   3.8500   1.2230   3.6820   1.6830   4.0180   1.7750 -0.3365000 2.446000 
1 1 1   16    6   33 o   3.0050   1.0640   3.4280   1.6690   2.5830   1.3210 0.8451000 2.128000 
1 1 1   16    6   34 o   4.1970   1.2650   4.6590   1.8750   3.7360   1.6990 0.9227000 2.531000 
1 1 1   16    8    0 o   44.830   0.3046   45.220   0.4329   44.440   0.4285 0.7843000 0.6091000 
1 1 1   16    8    1 o   14.540   0.2844   14.770   0.3951   14.300   0.4091 0.4713000 0.5687000 
1 1 1   16    8    2 o   50.590   0.3368   50.800   0.4764   50.380   0.4762 0.4144000 0.6736000 
1 1 1   16    8    3 o   44.850   0.3071   44.900   0.4341   44.800   0.4345 0.9982000E-01 0.6142000 
1 1 1   16    8    4 o   37.470   0.2742   37.630   0.3873   37.310   0.3882 0.3246000 0.5483000 
1 1 1   16    8    5 o   5.4480   0.9248   5.3130   1.2900   5.5830   1.3250 -0.2694000 1.850000 
1 1 1   16    8    6 o   8.9090   0.6273   7.2400   1.0260   10.580   0.7228 -3.338000 1.255000 
1 1 1   16    8    7 o   46.420   0.3221   46.360   0.4542   46.480   0.4568 -0.1233000 0.6442000 
1 1 1   16    8    8 o   55.700   0.3731   55.880   0.5283   55.520   0.5270 0.3608000 0.7462000 
1 1 1   16    8    9 o   58.160   0.3879   58.340   0.5495   57.970   0.5475 0.3728000 0.7757000 
1 1 1   16    8   10 o   17.810   0.3366   18.440   0.4624   17.190   0.4892 1.250000 0.6732000 
1 1 1   16    8   11 o   42.710   0.3201   42.620   0.4509   42.790   0.4545 -0.1719000 0.6403000 
1 1 1   16    8   12 o   18.030   0.3804   17.980   0.5287   18.070   0.5472 -0.8780000E-01 0.7609000 
1 1 1   16    8   13 o   32.330   0.3461   32.550   0.4757   32.100   0.5028 0.4516000 0.6921000 
1 1 1   16    8   14 o   18.720   0.4531   18.150   0.6294   19.290   0.6519 -1.144000 0.9061000 
1 1 1   16    8   15 o   29.940   0.4032   29.610   0.5788   30.270   0.5616 -0.6619000 0.8065000 
1 1 1   16    8   16 o   16.900   0.5895   16.790   0.8659   17.010   0.8002 -0.2200000 1.179000 
1 1 1   16    8   17 o   33.390   0.3402   33.580   0.4768   33.200   0.4853 0.3846000 0.6803000 
1 1 1   16    8   18 o   22.540   0.3964   22.760   0.5400   22.320   0.5804 0.4367000 0.7928000 
1 1 1   16    8   19 o   5.9490   1.3220   6.0750   1.8840   5.8240   1.8550 0.2515000 2.644000 
1 1 1   16    8   20 o   18.280   0.6637   18.410   0.8658   18.140   1.0060 0.2717000 1.327000 
1 1 1   16    8   21 f   11.670   0.7609   11.730   0.9514   11.610   1.1880 0.1193000 1.522000 
1 1 1   16    8   22 o   14.650   0.5129   15.230   0.6738   14.060   0.7734 1.174000 1.026000 
1 1 1   16    8   23 o   4.4940   1.1300   3.3270   1.4660   5.6610   1.7200 -2.334000 2.260000 
1 1 1   16    8   24 o   18.290   0.4291   18.340   0.5950   18.250   0.6186 0.8971000E-01 0.8583000 
1 1 1   16    8   25 o   4.6020   1.1440   5.6940   1.6780   3.5100   1.5540 2.184000 2.287000 
1 1 1   16    8   26 o   3.0650   1.0080   3.1770   1.4510   2.9540   1.3990 0.2224000 2.016000 
1 1 1   16    8   27 o   3.3320   1.0710   3.3240   1.4990   3.3410   1.5310 -0.1692000E-01 2.143000 
1 1 1   16    8   28 o   6.6870   1.4560   7.1260   2.0020   6.2490   2.1140 0.8770000 2.911000 
1 1 1   16    8   29 o   4.1820   1.2800   4.6700   1.9200   3.6950   1.6940 0.9752000 2.560000 
1 1 1   16    8   30 o   7.5550   1.2330   8.3700   1.5740   6.7400   1.8980 1.629000 2.466000 
1 1 1   16    8   31 o   3.0810   1.0450   2.5990   1.2910   3.5630   1.6440 -0.9641000 2.090000 
1 1 1   16    8   32 o   4.1850   1.3270   3.9260   1.8000   4.4450   1.9510 -0.5195000 2.655000 
1 1 1   16    8   33 o   3.2690   1.1200   3.0910   1.5130   3.4460   1.6520 -0.3554000 2.240000 
1 1 1   16    8   34 o   2.7690   0.9664   3.5860   1.6530   1.9530   1.0020 1.633000 1.933000 
1 1 1   16   10    0 o   55.330   0.3658   55.340   0.5171   55.330   0.5175 0.1150000E-01 0.7316000 
1 1 1   16   10    1 o   59.320   0.3888   59.740   0.5528   58.900   0.5467 0.8362000 0.7775000 
1 1 1   16   10    2 o   25.850   0.2568   25.510   0.3627   26.190   0.3637 -0.6796000 0.5136000 
1 1 1   16   10    3 o   18.730   0.3374   18.030   0.4762   19.440   0.4782 -1.405000 0.6749000 
1 1 1   16   10    4 o   32.690   0.3161   32.920   0.4451   32.450   0.4488 0.4780000 0.6321000 
1 1 1   16   10    5 o   41.480   0.3244   41.900   0.4283   41.070   0.4874 0.8307000 0.6488000 
1 1 1   16   10    6 o   30.220   0.2733   30.680   0.3809   29.760   0.3921 0.9196000 0.5466000 
1 1 1   16   10    7 o   37.940   0.2986   38.210   0.4206   37.660   0.4240 0.5544000 0.5972000 
1 1 1   16   10    8 o   13.130   0.4454   13.620   0.5989   12.640   0.6596 0.9850000 0.8909000 
1 1 1   16   10    9 o   62.790   0.4183   62.750   0.5902   62.820   0.5930 -0.7156000E-01 0.8367000 
1 1 1   16   10   10 o   28.360   0.3206   28.730   0.4697   27.990   0.4366 0.7435000 0.6413000 
1 1 1   16   10   11 o   35.400   0.3154   35.220   0.4399   35.590   0.4521 -0.3657000 0.6308000 
1 1 1   16   10   12 o   29.980   0.3577   30.210   0.4947   29.740   0.5168 0.4729000 0.7154000 
1 1 1   16   10   13 o   63.310   0.4932   63.200   0.6926   63.420   0.7023 -0.2224000 0.9863000 
1 1 1   16   10   14 o   5.2210   1.3510   6.0970   1.9880   4.3440   1.8300 1.753000 2.702000 
1 1 1   16   10   15 o   31.980   0.4146   31.810   0.5944   32.150   0.5781 -0.3403000 0.8291000 
1 1 1   16   10   16 o   22.450   0.4047   22.230   0.5556   22.670   0.5885 -0.4395000 0.8093000 
1 1 1   16   10   17 o   5.7820   1.2500   5.3570   1.7740   6.2080   1.7610 -0.8512000 2.499000 
1 1 1   16   10   18 o   45.110   0.4176   45.380   0.5993   44.840   0.5816 0.5402000 0.8352000 
1 1 1   16   10   19 o   4.0650   1.1930   3.3610   1.5160   4.7700   1.8420 -1.409000 2.386000 
1 1 1   16   10   20 o   5.2150   1.2760   5.9470   1.7540   4.4840   1.8530 1.463000 2.551000 
1 1 1   16   10   21 o   16.940   0.4602   16.680   0.6412   17.200   0.6603 -0.5184000 0.9204000 
1 1 1   16   10   22 f   10.430   0.6966   9.5910   1.0030   11.270   0.9668 -1.680000 1.393000 
1 1 1   16   10   23 o   5.6580   1.1720   5.9600   1.5890   5.3560   1.7240 0.6047000 2.345000 
1 1 1   16   10   24 o   3.4160   1.0630   2.8010   1.3250   4.0310   1.6620 -1.231000 2.126000 
1 1 1   16   10   25 o   2.7440   0.9331   2.6950   1.2950   2.7930   1.3440 -0.9728000E-01 1.866000 
1 1 1   16   10   26 o   5.4850   1.2530   5.3910   1.7270   5.5790   1.8160 -0.1876000 2.506000 
1 1 1   16   10   27 o   7.1270   1.2830   7.8970   1.6550   6.3580   1.9620 1.539000 2.567000 
1 1 1   16   10   28 o   5.9680   1.3990   6.4040   1.9600   5.5320   1.9970 0.8723000 2.798000 
1 1 1   16   10   29 o   6.4830   1.2820   7.8120   1.7050   5.1540   1.9140 2.658000 2.563000 
1 1 1   16   10   30 o   4.3790   1.2490   3.1820   1.5110   5.5750   1.9900 -2.392000 2.499000 
1 1 1   16   10   31 o   4.2610   1.3420   4.1880   1.8680   4.3330   1.9260 -0.1449000 2.683000 
1 1 1   16   10   32 o   4.3610   1.4010   3.3180   1.6020   5.4050   2.3000 -2.086000 2.802000 
1 1 1   16   10   33 o   3.1400   1.0540   2.4130   1.2180   3.8660   1.7210 -1.453000 2.108000 
1 1 1   16   12    0 o   70.650   0.5295   70.600   0.7478   70.690   0.7500 -0.8934000E-01 1.059000 
1 1 1   16   12    1 o   35.300   0.3079   35.060   0.4008   35.530   0.4675 -0.4768000 0.6158000 
1 1 1   16   12    2 o   56.200   0.3776   56.200   0.5326   56.200   0.5355 -0.3021000E-02 0.7552000 
1 1 1   16   12    3 o   36.400   0.3139   35.860   0.4644   36.940   0.4223 -1.084000 0.6277000 
1 1 1   16   12    4 o   15.920   0.3857   15.810   0.5315   16.020   0.5591 -0.2153000 0.7714000 
1 1 1   16   12    5 o   18.620   0.3522   17.910   0.4958   19.330   0.5005 -1.421000 0.7045000 
1 1 1   16   12    6 o   37.710   0.3073   37.640   0.4324   37.770   0.4368 -0.1238000 0.6146000 
1 1 1   16   12    7 o   17.640   0.3954   17.660   0.5495   17.620   0.5687 0.3385000E-01 0.7908000 
1 1 1   16   12    8 o   31.440   0.3462   32.440   0.4397   30.450   0.5348 1.998000 0.6924000 
1 1 1   16   12    9 o   20.990   0.3843   21.310   0.5314   20.670   0.5551 0.6401000 0.7685000 
1 1 1   16   12   10 o   18.370   0.4743   18.910   0.6249   17.840   0.7137 1.072000 0.9487000 
1 1 1   16   12   11 o   25.200   0.4028   24.920   0.5522   25.480   0.5867 -0.5577000 0.8057000 
1 1 1   16   12   12 o   61.650   0.4273   61.800   0.6025   61.500   0.6060 0.2931000 0.8545000 
1 1 1   16   12   13 o   45.360   0.4262   45.210   0.6037   45.510   0.6018 -0.2959000 0.8524000 
1 1 1   16   12   14 o   23.340   0.4817   23.350   0.6930   23.320   0.6692 0.3753000E-01 0.9634000 
1 1 1   16   12   15 o   14.460   0.5795   14.450   0.8103   14.470   0.8287 -0.1836000E-01 1.159000 
1 1 1   16   12   16 f   35.550   0.3496   35.200   0.4895   35.910   0.4993 -0.7066000 0.6992000 
1 1 1   16   12   17 o   12.660   0.7062   12.990   0.9847   12.340   1.0130 0.6515000 1.412000 
1 1 1   16   12   18 o   21.130   0.4171   21.450   0.5792   20.800   0.6003 0.6588000 0.8342000 
1 1 1   16   12   19 o   5.8420   1.3060   6.0460   1.7150   5.6380   1.9690 0.4084000 2.611000 
1 1 1   16   12   20 o   4.8040   1.1460   3.5710   1.5420   6.0380   1.6970 -2.467000 2.292000 
1 1 1   16   12   21 o   8.5380   0.9277   9.7960   1.0590   7.2810   1.5230 2.515000 1.855000 
1 1 1   16   12   22 o   5.1250   1.1300   3.7160   1.5670   6.5340   1.6290 -2.818000 2.260000 
1 1 1   16   12   23 f   12.400   0.6739   12.910   0.8142   11.880   1.0740 1.033000 1.348000 
1 1 1   16   12   24 o   6.1890   1.1940   6.7080   1.5830   5.6710   1.7880 1.037000 2.388000 
1 1 1   16   12   25 o   2.7830   0.9491   2.4820   1.2210   3.0840   1.4530 -0.6026000 1.898000 
1 1 1   16   12   26 o   5.9190   1.3530   5.3470   1.8660   6.4900   1.9600 -1.143000 2.706000 
1 1 1   16   12   27 o   5.0950   1.3010   3.4660   1.6230   6.7250   2.0340 -3.259000 2.602000 
1 1 1   16   12   28 o   4.9320   1.2450   6.2980   1.8670   3.5660   1.6460 2.731000 2.489000 
1 1 1   16   12   29 o   5.8650   1.3550   6.7780   1.8960   4.9530   1.9360 1.825000 2.710000 
1 1 1   16   12   30 o   3.7060   1.1960   3.7460   1.6920   3.6660   1.6910 0.7944000E-01 2.391000 
1 1 1   16   12   31 o   4.6510   1.4790   4.6170   2.0580   4.6850   2.1250 -0.6834000E-01 2.958000 
1 1 1   16   12   32 o   2.2470   0.8126   2.4780   1.2500   2.0170   1.0380 0.4605000 1.625000 
1 1 1   16   12   33 o   2.8650   0.9881   2.6370   1.3070   3.0940   1.4820 -0.4567000 1.976000 
1 1 1   16   14    0 o   19.550   0.4106   18.720   0.5895   20.380   0.5719 -1.656000 0.8213000 
1 1 1   16   14    1 o   60.780   0.4076   61.260   0.5801   60.300   0.5726 0.9572000 0.8151000 
1 1 1   16   14    2 f   75.160   0.4900   75.470   0.6944   74.850   0.6915 0.6222000 0.9799000 
1 1 1   16   14    3 o   43.880   0.3331   44.580   0.4728   43.190   0.4694 1.390000 0.6663000 
1 1 1   16   14    4 o   32.330   0.3399   34.200   0.5024   30.460   0.4580 3.743000 0.6799000 
1 1 1   16   14    5 o   50.830   0.3662   51.110   0.5152   50.560   0.5206 0.5485000 0.7324000 
1 1 1   16   14    6 o   15.830   0.5551   16.310   0.7441   15.340   0.8239 0.9756000 1.110000 
1 1 1   16   14    7 o   50.570   0.4244   51.310   0.6018   49.840   0.5986 1.478000 0.8488000 
1 1 1   16   14    8 o   16.110   0.5895   17.900   0.7096   14.320   0.9415 3.579000 1.179000 
1 1 1   16   14    9 o   46.050   0.3647   45.820   0.5144   46.270   0.5172 -0.4561000 0.7294000 
1 1 1   16   14   10 o   20.540   0.4365   19.990   0.6174   21.090   0.6171 -1.100000 0.8729000 
1 1 1   16   14   11 o   24.740   0.4896   24.770   0.6968   24.710   0.6879 0.5667000E-01 0.9791000 
1 1 1   16   14   12 o   43.320   0.4356   43.200   0.6203   43.430   0.6118 -0.2298000 0.8713000 
1 1 1   16   14   13 o   23.160   0.4169   23.360   0.5699   22.960   0.6085 0.4052000 0.8337000 
1 1 1   16   14   14 o   10.830   0.7804   11.410   1.0220   10.250   1.1800 1.164000 1.561000 
1 1 1   16   14   15 o   33.370   0.4017   33.540   0.5733   33.200   0.5629 0.3377000 0.8034000 
1 1 1   16   14   16 o   13.200   0.6617   13.800   0.8414   12.590   1.0220 1.205000 1.323000 
1 1 1   16   14   17 f   10.590   0.8936   9.6100   1.2520   11.580   1.2760 -1.968000 1.787000 
1 1 1   16   14   18 f   4.5910   1.2900   4.5720   1.7770   4.6100   1.8720 -0.3784000E-01 2.581000 
1 1 1   16   14   19 o   10.600   0.7296   10.290   1.0250   10.900   1.0390 -0.6101000 1.459000 
1 1 1   16   14   20 o   22.630   0.3935   23.150   0.5356   22.120   0.5766 1.031000 0.7870000 
1 1 1   16   14   21 o   7.9670   0.9699   8.3710   1.2360   7.5640   1.4950 0.8073000 1.940000 
1 1 1   16   14   22 o   6.4440   1.1470   5.7790   1.6710   7.1090   1.5720 -1.329000 2.294000 
1 1 1   16   14   23 o   3.3730   1.0780   3.3730   1.5210   3.3740   1.5270 -0.1266000E-02 2.155000 
1 1 1   16   14   24 o   6.3890   1.2240   6.0860   1.7380   6.6930   1.7240 -0.6063000 2.448000 
1 1 1   16   14   25 o   7.6870   1.1490   9.9500   1.2700   5.4240   1.9140 4.526000 2.297000 
1 1 1   16   14   26 o   7.8140   1.3020   7.8220   1.8220   7.8060   1.8610 0.1546000E-01 2.604000 
1 1 1   16   14   27 o   7.8090   1.3650   7.2840   1.9610   8.3330   1.8990 -1.050000 2.730000 
1 1 1   16   14   28 o   4.5990   1.3180   4.6310   1.8420   4.5670   1.8850 0.6463000E-01 2.636000 
1 1 1   16   14   29 o   4.2030   1.2770   4.1720   1.7880   4.2330   1.8240 -0.6168000E-01 2.554000 
1 1 1   16   14   30 o   4.4560   1.3680   4.5260   1.9540   4.3870   1.9140 0.1391000 2.736000 
1 1 1   16   14   31 o   3.1380   1.0820   3.6040   1.6980   2.6730   1.3430 0.9302000 2.165000 
1 1 1   16   14   32 o   3.0960   1.0460   3.2730   1.5400   2.9180   1.4160 0.3551000 2.092000 
1 1 1   16   16    0 o   34.270   0.3785   35.130   0.5339   33.420   0.5366 1.709000 0.7570000 
1 1 1   16   16    1 o   89.300   0.6669   89.310   0.9434   89.300   0.9429 0.1686000E-01 1.334000 
1 1 1   16   16    2 o   33.940   0.4301   34.190   0.5435   33.690   0.6668 0.4991000 0.8603000 
1 1 1   16   16    3 o   24.890   0.4301   24.530   0.6100   25.260   0.6064 -0.7243000 0.8601000 
1 1 1   16   16    4 o   41.810   0.3500   41.360   0.4889   42.250   0.5011 -0.8848000 0.7001000 
1 1 1   16   16    5 o   29.480   0.3646   29.250   0.5078   29.700   0.5233 -0.4491000 0.7292000 
1 1 1   16   16    6 o   61.530   0.4277   61.160   0.5981   61.910   0.6116 -0.7438000 0.8554000 
1 1 1   16   16    7 o   47.890   0.4074   49.680   0.5305   46.110   0.6184 3.572000 0.8147000 
1 1 1   16   16    8 o   19.610   0.4912   20.510   0.6573   18.700   0.7300 1.805000 0.9823000 
1 1 1   16   16    9 o   23.390   0.5327   23.790   0.7357   22.990   0.7705 0.8087000 1.065000 
1 1 1   16   16   10 o   25.060   0.5077   25.470   0.7134   24.660   0.7224 0.8106000 1.015000 
1 1 1   16   16   11 o   9.9910   0.9160   8.6770   1.4420   11.300   1.1310 -2.627000 1.832000 
1 1 1   16   16   12 o   22.320   0.4857   22.330   0.6932   22.310   0.6803 0.2689000E-01 0.9713000 
1 1 1   16   16   13 o   27.610   0.4282   28.340   0.6041   26.880   0.6069 1.456000 0.8563000 
1 1 1   16   16   14 o   27.870   0.3717   28.080   0.5197   27.670   0.5314 0.4100000 0.7433000 
1 1 1   16   16   15 o   27.400   0.3685   27.920   0.5077   26.890   0.5343 1.032000 0.7371000 
1 1 1   16   16   16 o   12.470   0.8055   13.980   0.8930   10.960   1.3410 3.017000 1.611000 
1 1 1   16   16   17 o   4.8670   1.3100   4.3870   1.7570   5.3470   1.9450 -0.9605000 2.620000 
1 1 1   16   16   18 o   12.120   0.6535   11.610   0.9328   12.630   0.9155 -1.014000 1.307000 
1 1 1   16   16   19 o   4.1790   1.1320   5.2660   1.7360   3.0930   1.4530 2.173000 2.264000 
1 1 1   16   16   20 o   7.2220   1.0710   6.6540   1.6040   7.7900   1.4190 -1.135000 2.142000 
1 1 1   16   16   21 o   11.270   0.7131   10.750   1.0280   11.790   0.9886 -1.033000 1.426000 
1 1 1   16   16   22 o   6.8270   1.1690   7.5930   1.4920   6.0620   1.8000 1.531000 2.338000 
1 1 1   16   16   23 o   4.8980   1.2930   5.3510   1.8460   4.4450   1.8100 0.9057000 2.585000 
1 1 1   16   16   24 o   5.5290   1.3350   4.8130   1.8520   6.2450   1.9250 -1.432000 2.671000 
1 1 1   16   16   25 o   4.8380   1.3680   4.2670   1.8380   5.4090   2.0250 -1.142000 2.735000 
1 1 1   16   16   26 o   3.2940   1.1090   3.5210   1.6510   3.0670   1.4800 0.4540000 2.217000 
1 1 1   16   16   27 o   3.6350   1.1750   3.6350   1.6570   3.6340   1.6650 0.6027000E-03 2.349000 
1 1 1   16   16   28 o   3.5410   1.1910   3.6370   1.7110   3.4450   1.6580 0.1914000 2.382000 
1 1 1   16   16   29 f   4.2050   1.3120   3.4230   1.6370   4.9870   2.0500 -1.565000 2.623000 
1 1 1   16   16   30 o   3.1660   1.0900   3.0590   1.4930   3.2740   1.5870 -0.2155000 2.179000 
1 1 1   16   16   31 o   2.2420   0.8042   2.3790   1.1970   2.1050   1.0740 0.2738000 1.608000 
1 1 1   16   18    0 o   24.170   0.4027   24.330   0.5628   24.010   0.5762 0.3229000 0.8054000 
1 1 1   16   18    1 o   13.600   0.6587   14.060   0.8948   13.140   0.9668 0.9196000 1.317000 
1 1 1   16   18    2 o   45.170   0.3636   46.170   0.5178   44.170   0.5106 2.004000 0.7272000 
1 1 1   16   18    3 o   20.070   0.4721   19.620   0.6716   20.520   0.6636 -0.8977000 0.9442000 
1 1 1   16   18    4 o   34.710   0.3589   35.310   0.4981   34.110   0.5169 1.202000 0.7179000 
1 1 1   16   18    5 o   31.710   0.3634   31.180   0.5045   32.240   0.5232 -1.056000 0.7269000 
1 1 1   16   18    6 o   39.070   0.4292   39.590   0.6027   38.540   0.6113 1.050000 0.8584000 
1 1 1   16   18    7 o   38.380   0.4250   37.930   0.5935   38.830   0.6084 -0.8937000 0.8500000 
1 1 1   16   18    8 o   12.100   0.7466   11.940   1.0050   12.250   1.1040 -0.3106000 1.493000 
1 1 1   16   18    9 o   25.820   0.4454   26.930   0.5922   24.720   0.6655 2.210000 0.8908000 
1 1 1   16   18   10 o   16.550   0.6159   16.100   0.8723   17.000   0.8696 -0.9012000 1.232000 
1 1 1   16   18   11 o   9.0770   1.0760   8.7810   1.5700   9.3720   1.4710 -0.5910000 2.152000 
1 1 1   16   18   12 o   4.3560   1.2320   4.5930   1.7570   4.1180   1.7270 0.4746000 2.464000 
1 1 1   16   18   13 o   12.800   0.6426   12.880   0.8939   12.730   0.9233 0.1443000 1.285000 
1 1 1   16   18   14 o   5.3510   1.3420   5.7440   1.8410   4.9570   1.9530 0.7871000 2.683000 
1 1 1   16   18   15 o   7.5070   1.1910   5.4490   1.8570   9.5660   1.4910 -4.117000 2.381000 
1 1 1   16   18   16 o   4.9470   1.2490   4.9470   1.7580   4.9460   1.7740 0.6766000E-03 2.497000 
1 1 1   16   18   17 o   10.900   0.7584   9.7670   1.1630   12.030   0.9732 -2.263000 1.517000 
1 1 1   16   18   18 o   16.190   0.5267   16.660   0.6975   15.730   0.7893 0.9285000 1.053000 
1 1 1   16   18   19 o   3.2560   1.0560   2.9190   1.3810   3.5930   1.5980 -0.6737000 2.112000 
1 1 1   16   18   20 o   4.1670   1.1700   4.9200   1.7530   3.4140   1.5490 1.505000 2.339000 
1 1 1   16   18   21 o   4.4020   1.2220   3.4920   1.5640   5.3110   1.8780 -1.819000 2.444000 
1 1 1   16   18   22 o   7.8080   1.2190   8.2030   1.5800   7.4130   1.8550 0.7900000 2.437000 
1 1 1   16   18   23 o   3.9340   1.1910   3.3940   1.5480   4.4740   1.8090 -1.080000 2.381000 
1 1 1   16   18   24 o   6.1440   1.4230   7.1730   2.0040   5.1160   2.0200 2.057000 2.846000 
1 1 1   16   18   25 o   4.7020   1.2750   3.4940   1.6090   5.9110   1.9790 -2.417000 2.551000 
1 1 1   16   18   26 o   4.5780   1.3120   4.9290   1.9010   4.2260   1.8100 0.7033000 2.625000 
1 1 1   16   18   27 f   3.3980   1.1540   3.8980   1.7990   2.8980   1.4450 1.000000 2.307000 
1 1 1   16   18   28 o   3.3990   1.1170   2.7500   1.3560   4.0470   1.7750 -1.297000 2.233000 
1 1 1   16   18   29 o   2.5490   0.9092   2.4140   1.2230   2.6830   1.3460 -0.2687000 1.818000 
1 1 1   16   18   30 o   2.0760   0.7535   2.0910   1.0650   2.0620   1.0660 0.2927000E-01 1.507000 
1 1 1   16   20    0 o   32.730   0.4573   33.040   0.7096   32.410   0.5771 0.6270000 0.9146000 
1 1 1   16   20    1 o   22.750   0.5373   22.670   0.8307   22.840   0.6818 -0.1774000 1.075000 
1 1 1   16   20    2 o   16.300   0.9285   17.290   1.4030   15.310   1.2170 1.986000 1.857000 
1 1 1   16   20    3 o   15.560   0.9832   16.010   1.5380   15.110   1.2250 0.9052000 1.966000 
1 1 1   16   20    4 o   10.520   1.3750   9.0620   2.4790   11.980   1.1910 -2.914000 2.750000 
1 1 1   16   20    5 o   19.960   0.7426   20.550   1.2680   19.370   0.7728 1.174000 1.485000 
1 1 1   16   20    6 o   31.250   0.5712   31.400   0.9797   31.110   0.5875 0.2913000 1.142000 
1 1 1   16   20    7 o   29.460   0.4574   30.230   0.7342   28.690   0.5456 1.540000 0.9147000 
1 1 1   16   20    8 o   33.620   0.4368   33.370   0.7055   33.870   0.5152 -0.5009000 0.8736000 
1 1 1   16   20    9 o   18.630   0.5764   18.540   0.9243   18.720   0.6889 -0.1763000 1.153000 
1 1 1   16   20   10 o   6.8950   1.2990   7.7190   1.8600   6.0720   1.8150 1.647000 2.598000 
1 1 1   16   20   11 o   6.9610   1.2560   6.7290   1.8500   7.1930   1.7000 -0.4633000 2.513000 
1 1 1   16   20   12 o   15.990   0.6293   15.970   0.8378   16.000   0.9392 -0.3573000E-01 1.259000 
1 1 1   16   20   13 f   4.5820   1.2790   5.4560   1.9120   3.7080   1.6990 1.748000 2.558000 
1 1 1   16   20   14 o   12.100   0.6929   12.970   0.8692   11.240   1.0790 1.725000 1.386000 
1 1 1   16   20   15 o   17.950   0.4865   17.260   0.6945   18.640   0.6814 -1.382000 0.9729000 
1 1 1   16   20   16 o   13.020   0.6524   13.080   0.8959   12.950   0.9486 0.1237000 1.305000 
1 1 1   16   20   17 o   3.5850   1.1160   2.9310   1.3910   4.2380   1.7450 -1.307000 2.232000 
1 1 1   16   20   18 o   6.0510   1.2270   4.7480   1.7900   7.3550   1.6800 -2.608000 2.454000 
1 1 1   16   20   19 o   3.0210   1.0160   3.0090   1.4260   3.0320   1.4470 -0.2342000E-01 2.032000 
1 1 1   16   20   20 o   5.5340   1.3730   5.0010   1.8810   6.0660   2.0000 -1.065000 2.746000 
1 1 1   16   20   21 o   11.050   0.9329   11.780   1.1670   10.320   1.4560 1.458000 1.866000 
1 1 1   16   20   22 o   6.3770   1.3150   9.1750   2.0260   3.5790   1.6770 5.595000 2.630000 
1 1 1   16   20   23 o   3.4440   1.1600   3.5790   1.6860   3.3090   1.5940 0.2706000 2.320000 
1 1 1   16   20   24 o   4.8020   1.3530   4.6640   1.8790   4.9400   1.9470 -0.2760000 2.706000 
1 1 1   16   20   25 o   6.3710   1.3870   7.1490   1.9140   5.5940   2.0080 1.555000 2.774000 
1 1 1   16   20   26 o   3.3410   1.1430   3.5230   1.6790   3.1580   1.5510 0.3651000 2.286000 
1 1 1   16   20   27 o   3.5610   1.1810   3.9860   1.7990   3.1360   1.5310 0.8507000 2.362000 
1 1 1   16   20   28 o   2.5230   0.8996   2.6380   1.3210   2.4080   1.2220 0.2297000 1.799000 
1 1 1   16   22    0 o   28.680   0.3481   28.130   0.4954   29.230   0.4891 -1.101000 0.6961000 
1 1 1   16   22    1 o   8.2970   0.9960   7.2530   1.5690   9.3400   1.2270 -2.087000 1.992000 
1 1 1   16   22    2 o   6.9220   1.1500   7.5300   1.5390   6.3150   1.7100 1.216000 2.300000 
1 1 1   16   22    3 o   11.730   0.7336   12.300   0.9350   11.160   1.1310 1.134000 1.467000 
1 1 1   16   22    4 o   4.3540   1.2210   3.7010   1.6050   5.0070   1.8390 -1.307000 2.441000 
1 1 1   16   22    5 o   11.740   0.7090   11.710   0.9619   11.780   1.0420 -0.6633000E-01 1.418000 
1 1 1   16   22    6 o   8.0380   1.0470   8.1940   1.3710   7.8830   1.5830 0.3109000 2.095000 
1 1 1   16   22    7 o   12.240   0.6737   11.990   0.9236   12.500   0.9810 -0.5166000 1.347000 
1 1 1   16   22    8 o   7.0460   1.2920   6.5470   1.7710   7.5460   1.8830 -0.9992000 2.585000 
1 1 1   16   22    9 o   10.900   0.8967   11.400   1.0790   10.400   1.4320 1.006000 1.793000 
1 1 1   16   22   10 o   6.9180   1.2370   5.0150   1.8230   8.8200   1.6710 -3.805000 2.474000 
1 1 1   16   22   11 o   2.9040   0.9828   2.7210   1.3140   3.0880   1.4620 -0.3671000 1.966000 
1 1 1   16   22   12 o   7.0810   1.3220   8.3090   1.9210   5.8540   1.8170 2.455000 2.645000 
1 1 1   16   22   13 o   18.360   0.6415   18.990   1.0450   17.740   0.7441 1.248000 1.283000 
1 1 1   16   22   14 o   6.5160   1.4770   7.0810   2.3280   5.9500   1.8170 1.131000 2.953000 
1 1 1   16   22   15 o   4.8210   1.3120   3.9320   1.8530   5.7100   1.8590 -1.777000 2.625000 
1 1 1   16   22   16 o   10.530   1.1530   10.840   1.9160   10.220   1.2810 0.6213000 2.305000 
1 1 1   16   22   17 o   3.5970   1.2360   3.9200   1.9130   3.2730   1.5640 0.6473000 2.471000 
1 1 1   16   22   18 o   9.9230   1.5040   10.270   2.5210   9.5710   1.6410 0.7038000 3.008000 
1 1 1   16   22   19 o   5.3170   1.4600   6.7700   2.3750   3.8640   1.7010 2.906000 2.921000 
1 1 1   16   22   20 o   3.8790   1.2640   3.8430   1.8370   3.9150   1.7370 -0.7141000E-01 2.528000 
1 1 1   16   22   21 o   4.6010   1.4260   4.5820   2.0510   4.6210   1.9820 -0.3944000E-01 2.852000 
1 1 1   16   22   22 o   4.6770   1.3490   3.8170   1.8270   5.5370   1.9860 -1.719000 2.698000 
1 1 1   16   22   23 o   5.5740   1.5200   5.6370   2.3070   5.5100   1.9820 0.1278000 3.041000 
1 1 1   16   22   24 o   3.7990   1.3340   4.5510   2.2010   3.0470   1.5060 1.504000 2.667000 
1 1 1   16   22   25 o   3.5830   1.2170   3.9870   1.8920   3.1780   1.5310 0.8094000 2.433000 
1 1 1   16   22   26 o   2.9730   1.0450   2.6990   1.3720   3.2470   1.5780 -0.5479000 2.091000 
1 1 1   16   22   27 o   2.5030   0.9147   2.7070   1.3950   2.2980   1.1830 0.4088000 1.829000 
1 1 1   16   24    0 o   8.8210   0.9304   10.270   1.0590   7.3760   1.5300 2.890000 1.861000 
1 1 1   16   24    1 o   17.530   0.4771   17.300   0.6738   17.760   0.6757 -0.4526000 0.9542000 
1 1 1   16   24    2 o   7.3990   1.2180   8.2000   1.5490   6.5970   1.8800 1.603000 2.436000 
1 1 1   16   24    3 o   13.310   0.7361   13.260   0.9582   13.360   1.1180 -0.1065000 1.472000 
1 1 1   16   24    4 o   27.780   0.4275   27.510   0.5697   28.050   0.6377 -0.5444000 0.8551000 
1 1 1   16   24    5 o   13.110   0.7381   12.500   0.9953   13.710   1.0900 -1.213000 1.476000 
1 1 1   16   24    6 o   11.520   0.7582   12.160   1.0050   10.880   1.1350 1.283000 1.516000 
1 1 1   16   24    7 o   3.9080   1.1570   3.2380   1.4780   4.5780   1.7800 -1.340000 2.314000 
1 1 1   16   24    8 o   4.8850   1.2630   4.4220   1.7230   5.3490   1.8470 -0.9267000 2.526000 
1 1 1   16   24    9 o   13.290   0.6497   13.280   0.8567   13.290   0.9769 -0.8005000E-02 1.299000 
1 1 1   16   24   10 o   6.1240   1.2520   6.6710   1.6530   5.5770   1.8820 1.095000 2.504000 
1 1 1   16   24   11 o   3.7480   1.1450   4.0630   1.6620   3.4320   1.5750 0.6307000 2.290000 
1 1 1   16   24   12 o   10.790   0.8200   11.700   0.9916   9.8750   1.3060 1.828000 1.640000 
1 1 1   16   24   13 o   2.9020   0.9818   3.3210   1.5240   2.4820   1.2390 0.8388000 1.964000 
1 1 1   16   24   14 o   3.9360   1.2310   3.7630   1.6820   4.1090   1.7980 -0.3454000 2.462000 
1 1 1   16   24   15 o   4.4810   1.3250   4.1730   1.8000   4.7890   1.9440 -0.6169000 2.649000 
1 1 1   16   24   16 o   9.5420   1.0500  10.0000   1.4650   9.0840   1.5060 0.9161000 2.101000 
1 1 1   16   24   17 o   6.3730   1.3370   5.6820   1.9330   7.0650   1.8470 -1.384000 2.673000 
1 1 1   16   24   18 o   6.4250   1.3270   7.7750   1.7790   5.0760   1.9710 2.699000 2.655000 
1 1 1   16   24   19 o   4.0970   1.3110   3.1890   1.5930   5.0060   2.0820 -1.817000 2.621000 
1 1 1   16   24   20 o   5.2880   1.3540   4.2780   1.8290   6.2970   1.9980 -2.019000 2.708000 
1 1 1   16   24   21 o   4.5470   1.3880   4.5750   1.9640   4.5180   1.9630 0.5681000E-01 2.777000 
1 1 1   16   24   22 o   3.9220   1.2750   4.4140   1.9470   3.4300   1.6470 0.9848000 2.550000 
1 1 1   16   24   23 o   4.7370   1.3310   4.2260   1.8000   5.2490   1.9620 -1.023000 2.662000 
1 1 1   16   24   24 o   2.9850   1.0390   2.8240   1.4000   3.1450   1.5350 -0.3212000 2.077000 
1 1 1   16   24   25 o   2.2810   0.8317   2.5130   1.2820   2.0500   1.0600 0.4630000 1.663000 
1 1 1   16   26    0 o   8.7870   0.9412   7.8160   1.4650   9.7570   1.1820 -1.940000 1.882000 
1 1 1   16   26    1 o   22.630   0.4024   22.860   0.5607   22.400   0.5772 0.4659000 0.8047000 
1 1 1   16   26    2 o   27.680   0.4034   27.700   0.5162   27.670   0.6201 0.2362000E-01 0.8068000 
1 1 1   16   26    3 o   19.020   0.4901   19.020   0.6581   19.020   0.7265 0.5234000E-02 0.9802000 
1 1 1   16   26    4 o   19.230   0.4828   19.840   0.6436   18.610   0.7198 1.225000 0.9656000 
1 1 1   16   26    5 o   10.530   0.8481   10.520   1.1360   10.540   1.2590 -0.2383000E-01 1.696000 
1 1 1   16   26    6 o   8.9010   1.0100   8.6160   1.3980   9.1850   1.4580 -0.5691000 2.020000 
1 1 1   16   26    7 o   6.0680   1.3030   6.1340   1.7710   6.0020   1.9120 0.1320000 2.606000 
1 1 1   16   26    8 o   7.1010   1.2020   5.8110   1.8100   8.3910   1.5820 -2.580000 2.404000 
1 1 1   16   26    9 f   11.180   0.8192   12.190   0.9980   10.170   1.2990 2.015000 1.638000 
1 1 1   16   26   10 o   6.9020   1.3900   7.4250   1.9070   6.3800   2.0230 1.045000 2.780000 
1 1 1   16   26   11 o   5.4810   1.4000   4.6200   1.9110   6.3420   2.0460 -1.722000 2.800000 
1 1 1   16   26   12 f   3.8860   1.2170   3.1430   1.5160   4.6280   1.9050 -1.485000 2.434000 
1 1 1   16   26   13 o   8.5140   1.1140   9.0440   1.4630   7.9840   1.6800 1.060000 2.228000 
1 1 1   16   26   14 o   11.070   0.8857   11.930   1.1230   10.210   1.3700 1.717000 1.771000 
1 1 1   16   26   15 o   6.0460   1.3440   6.9050   1.8470   5.1880   1.9520 1.717000 2.688000 
1 1 1   16   26   16 o   5.0290   1.4520   4.4730   1.9490   5.5850   2.1530 -1.112000 2.904000 
1 1 1   16   26   17 o   3.8900   1.2780   3.4220   1.6780   4.3570   1.9290 -0.9354000 2.557000 
1 1 1   16   26   18 f   3.3040   1.1040   3.6880   1.6820   2.9200   1.4320 0.7675000 2.209000 
1 1 1   16   26   19 o   4.2100   1.3220   3.5730   1.6980   4.8460   2.0270 -1.272000 2.644000 
1 1 1   16   26   20 o   3.7780   1.2360   4.5240   1.9700   3.0330   1.4940 1.491000 2.472000 
1 1 1   16   26   21 o   3.3660   1.1140   3.0040   1.4500   3.7280   1.6920 -0.7236000 2.229000 
1 1 1   16   26   22 o   2.6760   0.9485   2.9300   1.4450   2.4220   1.2290 0.5081000 1.897000 
1 1 1   16   26   23 o   1.9550   0.7200   1.9000   0.9898   2.0090   1.0460 -0.1091000 1.440000 
1 1 1   16   28    0 f   8.4500   1.1710   8.1260   1.7490   8.7740   1.5590 -0.6485000 2.343000 
1 1 1   16   28    1 o   13.820   0.7418   13.720   1.0560   13.920   1.0420 -0.2031000 1.484000 
1 1 1   16   28    2 o   12.480   0.9605   12.810   1.1410   12.150   1.5450 0.6634000 1.921000 
1 1 1   16   28    3 f   11.120   0.9832   10.930   1.3320   11.310   1.4470 -0.3771000 1.966000 
1 1 1   16   28    4 o   14.560   0.7442   14.170   1.0400   14.950   1.0650 -0.7843000 1.488000 
1 1 1   16   28    5 o   7.1300   1.4040   7.6200   1.8960   6.6410   2.0720 0.9798000 2.808000 
1 1 1   16   28    6 o   8.9830   1.2180   9.0480   1.6370   8.9190   1.8030 0.1291000 2.436000 
1 1 1   16   28    7 o   3.3160   1.0950   3.4640   1.5850   3.1690   1.5100 0.2952000 2.189000 
1 1 1   16   28    8 o   6.5980   1.2740   7.6300   1.6670   5.5660   1.9280 2.064000 2.549000 
1 1 1   16   28    9 o   7.2270   1.2230   5.4480   1.9000   9.0060   1.5410 -3.558000 2.446000 
1 1 1   16   28   10 o   11.880   0.8146   12.490   1.0440   11.260   1.2500 1.223000 1.629000 
1 1 1   16   28   11 o   6.2590   1.2480   8.1560   1.6910   4.3630   1.8370 3.793000 2.497000 
1 1 1   16   28   12 o   5.9130   1.3870   6.3550   1.9190   5.4710   2.0040 0.8833000 2.774000 
1 1 1   16   28   13 o   4.0770   1.3060   3.6610   1.7210   4.4940   1.9630 -0.8336000 2.611000 
1 1 1   16   28   14 o   5.1030   1.4800   4.8570   2.0380   5.3490   2.1470 -0.4920000 2.960000 
1 1 1   16   28   15 o   4.3000   1.3240   5.0030   2.0250   3.5970   1.7060 1.406000 2.648000 
1 1 1   16   28   16 o   3.8560   1.2400   4.7710   2.0070   2.9420   1.4560 1.829000 2.480000 
1 1 1   16   28   17 o   3.3390   1.1390   3.3060   1.5960   3.3730   1.6240 -0.6757000E-01 2.277000 
1 1 1   16   28   18 o   3.2730   1.0860   3.6890   1.6600   2.8580   1.4020 0.8315000 2.172000 
1 1 1   16   28   19 o   2.2870   0.8232   2.5150   1.2650   2.0600   1.0540 0.4552000 1.646000 
1 1 1   16   28   20 o   2.0240   0.7386   1.9330   0.9958   2.1140   1.0910 -0.1804000 1.477000 
1 1 1   16   30    0 o   8.2680   1.1230   8.6530   1.4850   7.8830   1.6850 0.7704000 2.246000 
1 1 1   16   30    1 o   5.0600   1.3070   5.7560   1.8810   4.3640   1.8140 1.392000 2.613000 
1 1 1   16   30    2 o   5.2620   1.2780   6.5750   1.8730   3.9490   1.7390 2.625000 2.556000 
1 1 1   16   30    3 o   12.000   0.8329   12.720   1.0890   11.290   1.2610 1.432000 1.666000 
1 1 1   16   30    4 f   3.7940   1.2000   3.8720   1.7100   3.7170   1.6850 0.1548000 2.401000 
1 1 1   16   30    5 f   8.6810   1.1480   8.3460   1.6650   9.0170   1.5800 -0.6703000 2.295000 
1 1 1   16   30    6 o   7.1280   1.3080   7.7700   1.7510   6.4870   1.9440 1.283000 2.616000 
1 1 1   16   30    7 o   3.3640   1.0980   4.1440   1.7760   2.5840   1.2900 1.560000 2.195000 
1 1 1   16   30    8 o   3.2460   1.1140   3.2410   1.5710   3.2510   1.5790 -0.1007000E-01 2.228000 
1 1 1   16   30    9 o   3.4920   1.1750   3.6330   1.7080   3.3500   1.6130 0.2827000 2.349000 
1 1 1   16   30   10 o   4.8780   1.4000   5.8120   2.1380   3.9440   1.8090 1.867000 2.800000 
1 1 1   16   30   11 o   5.0540   1.4550   5.0030   2.0370   5.1060   2.0790 -0.1031000 2.911000 
1 1 1   16   30   12 o   6.7530   1.4420   8.2670   1.9810   5.2400   2.0950 3.027000 2.883000 
1 1 1   16   30   13 o   4.3070   1.3310   4.6680   1.9600   3.9460   1.8010 0.7217000 2.662000 
1 1 1   16   30   14 o   3.0320   1.0330   3.0280   1.4560   3.0360   1.4670 -0.7515000E-02 2.067000 
1 1 1   16   30   15 o   3.1020   1.0480   2.8090   1.3710   3.3960   1.5860 -0.5873000 2.097000 
1 1 1   16   30   16 o   2.5100   0.8868   2.2570   1.1410   2.7620   1.3580 -0.5050000 1.774000 
1 1 1   16   30   17 o   2.1500   0.7904   2.2570   1.1700   2.0440   1.0630 0.2129000 1.581000 
1 1 1   16   32    0 o   5.3940   1.6410   5.1770   2.1590   5.6110   2.4710 -0.4338000 3.281000 
1 1 1   16   32    1 o   4.4250   1.4150   4.0300   1.8830   4.8210   2.1130 -0.7910000 2.831000 
1 1 1   16   32    2 o   4.4710   1.4260   4.6020   2.0410   4.3400   1.9930 0.2626000 2.853000 
1 1 1   16   32    3 o   4.6090   1.4570   4.8830   2.1220   4.3360   1.9970 0.5468000 2.914000 
1 1 1   16   32    4 o   6.3710   1.6580   5.6200   2.2870   7.1220   2.4010 -1.502000 3.316000 
1 1 1   16   32    5 o   5.8560   1.5920   6.3650   2.3880   5.3470   2.1070 1.017000 3.184000 
1 1 1   16   32    6 o   7.3500   1.4380   8.2760   1.8880   6.4230   2.1690 1.853000 2.876000 
1 1 1   16   32    7 o   4.2940   1.2830   4.8730   1.8940   3.7150   1.7320 1.158000 2.567000 
1 1 1   16   32    8 f   3.1330   1.0570   2.4310   1.2330   3.8340   1.7160 -1.403000 2.113000 
1 1 1   16   32    9 o   2.7950   0.9693   3.1040   1.4850   2.4850   1.2460 0.6185000 1.939000 
1 1 1   16   32   10 o   3.5760   1.1500   3.0750   1.4710   4.0770   1.7690 -1.003000 2.301000 
1 1 1   16   32   11 o   2.4760   0.8775   2.0790   1.0590   2.8730   1.4000 -0.7942000 1.755000 
1 1 1   16   32   12 o   2.1000   0.7561   2.0620   1.0500   2.1390   1.0890 -0.7678000E-01 1.512000 
1 1 1   16   34    0 o   2.7100   0.9394   2.8550   1.3810   2.5650   1.2730 0.2904000 1.879000 
1 1 1   16   34    1 o   2.8660   0.9920   2.6260   1.2920   3.1050   1.5050 -0.4798000 1.984000 
1 1 1   16   34    2 o   2.6720   0.9354   2.7330   1.3360   2.6110   1.3100 0.1223000 1.871000 
1 1 1   16   34    3 o   2.3030   0.8248   2.2780   1.1480   2.3270   1.1840 -0.4962000E-01 1.650000 
1 1 1   16   34    4 o   2.2230   0.8011   2.2690   1.1450   2.1760   1.1210 0.9336000E-01 1.602000 
1 1 1   16   34    5 o   1.7060   0.8888  ?   ?    1.7060   0.8888      ?      ? 
1 1 1   17    1    0 o   95.860   0.6964   95.880   0.9856   95.840   0.9842 0.4183000E-01 1.393000 
1 1 1   17    1    1 o   65.950   0.4818   65.780   0.6797   66.110   0.6830 -0.3282000 0.9636000 
1 1 1   17    1    2 o   40.010   0.3717   40.040   0.5259   39.980   0.5254 0.6159000E-01 0.7434000 
1 1 1   17    1    3 o   41.080   0.3144   40.830   0.4424   41.320   0.4467 -0.4860000 0.6287000 
1 1 1   17    1    4 o   20.770   0.1975   20.810   0.2777   20.740   0.2810 0.6973000E-01 0.3950000 
1 1 1   17    1    5 o   22.140   0.2062   21.910   0.2914   22.370   0.2919 -0.4643000 0.4124000 
1 1 1   17    1    6 o   37.860   0.2833   37.500   0.3674   38.220   0.4314 -0.7285000 0.5666000 
1 1 1   17    1    7 o   24.850   0.2588   25.140   0.3712   24.560   0.3606 0.5715000 0.5175000 
1 1 1   17    1    8 o   9.0550   0.5909   9.1750   0.8376   8.9360   0.8337 0.2392000 1.182000 
1 1 1   17    1    9 o   47.670   0.3207   47.760   0.4542   47.580   0.4530 0.1807000 0.6415000 
1 1 1   17    1   10 o   40.700   0.2890   40.820   0.4082   40.570   0.4090 0.2550000 0.5779000 
1 1 1   17    1   11 o   15.250   0.3217   15.240   0.4513   15.260   0.4586 -0.1997000E-01 0.6434000 
1 1 1   17    1   12 o   33.350   0.2723   33.330   0.3840   33.370   0.3862 -0.4453000E-01 0.5446000 
1 1 1   17    1   13 o   23.440   0.2927   23.500   0.4095   23.380   0.4182 0.1241000 0.5853000 
1 1 1   17    1   14 o   48.560   0.3447   48.620   0.4875   48.490   0.4874 0.1323000 0.6894000 
1 1 1   17    1   15 o   63.870   0.4262   63.680   0.6009   64.060   0.6045 -0.3730000 0.8523000 
1 1 1   17    1   16 o   3.7970   1.1870   4.2850   1.7960   3.3090   1.5520 0.9761000 2.374000 
1 1 1   17    1   17 o   20.040   0.4912   20.910   0.6299   19.170   0.7539 1.734000 0.9824000 
1 1 1   17    1   18 o   58.120   0.4061   58.120   0.5746   58.130   0.5741 -0.6741000E-02 0.8122000 
1 1 1   17    1   19 o   33.640   0.3303   33.540   0.4657   33.740   0.4686 -0.2022000 0.6607000 
1 1 1   17    1   20 o   4.2100   1.1270   5.1230   1.6980   3.2960   1.4820 1.827000 2.254000 
1 1 1   17    1   21 o   8.4990   1.3590   7.6400   2.0290   9.3580   1.8070 -1.718000 2.717000 
1 1 1   17    1   22 o   4.3330   1.1750   3.9710   1.6150   4.6950   1.7070 -0.7245000 2.350000 
1 1 1   17    1   23 o   6.8930   1.0280   5.6380   1.6360   8.1480   1.2460 -2.510000 2.056000 
1 1 1   17    1   24 o   11.700   0.6116   11.580   0.8554   11.820   0.8744 -0.2433000 1.223000 
1 1 1   17    1   25 f   13.320   0.5582   13.230   0.7915   13.420   0.7874 -0.1937000 1.116000 
1 1 1   17    1   26 o   6.4830   1.0870   6.3030   1.6010   6.6620   1.4710 -0.3586000 2.174000 
1 1 1   17    1   27 o   8.2260   0.9316   8.7630   1.2330   7.6900   1.3970 1.072000 1.863000 
1 1 1   17    1   28 o   4.6360   1.2300   4.7050   1.7230   4.5660   1.7550 0.1389000 2.460000 
1 1 1   17    1   29 o   3.7730   1.2280   3.3680   1.6160   4.1780   1.8500 -0.8098000 2.456000 
1 1 1   17    1   30 o   4.2380   1.2200   5.0430   1.8560   3.4320   1.5840 1.611000 2.440000 
1 1 1   17    1   31 o   3.7950   1.1960   3.2380   1.5330   4.3520   1.8360 -1.114000 2.392000 
1 1 1   17    1   32 o   4.0200   1.2470   4.1970   1.7880   3.8420   1.7380 0.3542000 2.494000 
1 1 1   17    1   33 o   2.8920   1.0350   2.6080   1.3260   3.1750   1.5890 -0.5673000 2.069000 
1 1 1   17    1   34 o   2.9040   1.0010   2.4940   1.2500   3.3150   1.5620 -0.8215000 2.001000 
1 1 1   17    1   35 o   2.1780   0.7872   1.8920   0.9719   2.4650   1.2390 -0.5727000 1.574000 
1 1 1   17    3    0 o   48.700   0.3133   49.250   0.4472   48.150   0.4390 1.097000 0.6267000 
1 1 1   17    3    1 o   45.950   0.2985   46.110   0.4232   45.790   0.4211 0.3226000 0.5970000 
1 1 1   17    3    2 o   23.080   0.2291   23.430   0.3272   22.740   0.3207 0.6942000 0.4581000 
1 1 1   17    3    3 o   25.720   0.2431   26.090   0.3450   25.360   0.3426 0.7309000 0.4862000 
1 1 1   17    3    4 o   60.980   0.3910   61.460   0.5569   60.510   0.5490 0.9517000 0.7820000 
1 1 1   17    3    5 o   26.560   0.2173   26.740   0.3059   26.370   0.3087 0.3702000 0.4346000 
1 1 1   17    3    6 o   25.510   0.2490   25.480   0.3531   25.540   0.3510 -0.6394000E-01 0.4979000 
1 1 1   17    3    7 o   19.440   0.2634   19.630   0.3727   19.250   0.3724 0.3828000 0.5269000 
1 1 1   17    3    8 f   13.010   0.3802   13.620   0.4716   12.410   0.5964 1.202000 0.7603000 
1 1 1   17    3    9 o   30.380   0.2485   30.550   0.3492   30.210   0.3537 0.3400000 0.4971000 
1 1 1   17    3   10 o   22.840   0.2558   22.810   0.3618   22.870   0.3617 -0.6064000E-01 0.5116000 
1 1 1   17    3   11 o   37.760   0.2838   38.140   0.4017   37.370   0.4010 0.7708000 0.5676000 
1 1 1   17    3   12 o   35.900   0.2834   36.490   0.4033   35.320   0.3984 1.167000 0.5668000 
1 1 1   17    3   13 o   14.310   0.4160   14.690   0.5533   13.920   0.6214 0.7672000 0.8320000 
1 1 1   17    3   14 o   60.470   0.4063   60.700   0.5754   60.240   0.5736 0.4660000 0.8125000 
1 1 1   17    3   15 o   54.100   0.4066   54.700   0.6140   53.500   0.5331 1.206000 0.8132000 
1 1 1   17    3   16 f   37.000   0.4442   37.490   0.6301   36.510   0.6262 0.9842000 0.8883000 
1 1 1   17    3   17 o   10.140   0.8794   10.700   1.2130   9.5870   1.2730 1.115000 1.759000 
1 1 1   17    3   18 o   10.980   0.7208   12.170   0.9020   9.7790   1.1250 2.395000 1.442000 
1 1 1   17    3   19 o   17.620   0.4616   17.920   0.6334   17.310   0.6718 0.6132000 0.9233000 
1 1 1   17    3   20 o   7.4380   1.0430   8.1500   1.3200   6.7260   1.6150 1.424000 2.085000 
1 1 1   17    3   21 o   14.470   0.8210   13.990   1.1780   14.950   1.1440 -0.9564000 1.642000 
1 1 1   17    3   22 o   6.3970   0.9966   8.9180   1.1460   3.8770   1.6310 5.041000 1.993000 
1 1 1   17    3   23 o   11.740   0.6272   12.010   0.8536   11.470   0.9193 0.5353000 1.254000 
1 1 1   17    3   24 o   16.960   0.4423   17.520   0.6056   16.400   0.6447 1.116000 0.8845000 
1 1 1   17    3   25 o   13.680   0.5389   13.090   0.7757   14.270   0.7483 -1.180000 1.078000 
1 1 1   17    3   26 o   10.720   0.6870   10.620   0.9458   10.830   0.9968 -0.2171000 1.374000 
1 1 1   17    3   27 o   14.430   0.5526   15.430   0.7016   13.430   0.8540 2.003000 1.105000 
1 1 1   17    3   28 o   11.420   0.7192   10.990   1.0360   11.840   0.9976 -0.8507000 1.438000 
1 1 1   17    3   29 o   3.7550   1.2300   3.6310   1.7010   3.8780   1.7780 -0.2470000 2.461000 
1 1 1   17    3   30 o   4.3560   1.2250   5.3330   1.8870   3.3780   1.5630 1.955000 2.450000 
1 1 1   17    3   31 o   3.5100   1.1370   4.0100   1.7430   3.0090   1.4590 1.001000 2.273000 
1 1 1   17    3   32 o   4.0550   1.2390   3.4690   1.6000   4.6410   1.8910 -1.172000 2.477000 
1 1 1   17    3   33 o   2.9860   1.0610   3.0280   1.5140   2.9440   1.4870 0.8390000E-01 2.122000 
1 1 1   17    3   34 o   3.4860   1.1320   3.9660   1.7340   3.0060   1.4550 0.9606000 2.264000 
1 1 1   17    3   35 o   2.3520   0.8409   2.6020   1.2960   2.1020   1.0710 0.5001000 1.682000 
1 1 1   17    5    0 o   60.670   0.3884   60.410   0.5468   60.920   0.5517 -0.5047000 0.7767000 
1 1 1   17    5    1 o   23.710   0.2469   23.790   0.3442   23.630   0.3541 0.1541000 0.4938000 
1 1 1   17    5    2 o   52.260   0.4420   51.740   0.5553   52.790   0.6879 -1.043000 0.8841000 
1 1 1   17    5    3 o   33.390   0.2425   33.310   0.3418   33.480   0.3440 -0.1666000 0.4849000 
1 1 1   17    5    4 o   25.000   0.2459   24.750   0.3463   25.260   0.3491 -0.5027000 0.4917000 
1 1 1   17    5    5 o   78.760   0.5800   79.710   0.8302   77.820   0.8101 1.885000 1.160000 
1 1 1   17    5    6 o   56.800   0.3710   57.030   0.5259   56.570   0.5234 0.4622000 0.7419000 
1 1 1   17    5    7 o   36.000   0.3111   36.540   0.4396   35.470   0.4403 1.069000 0.6221000 
1 1 1   17    5    8 o   21.770   0.2963   22.180   0.4015   21.360   0.4359 0.8267000 0.5926000 
1 1 1   17    5    9 f   27.380   0.2688   27.670   0.3535   27.090   0.4050 0.5812000 0.5376000 
1 1 1   17    5   10 o   17.030   0.3074   16.840   0.4294   17.220   0.4399 -0.3711000 0.6147000 
1 1 1   17    5   11 o   29.640   0.2718   29.930   0.3820   29.340   0.3867 0.5894000 0.5436000 
1 1 1   17    5   12 o   84.540   0.5425   84.550   0.7669   84.530   0.7674 0.1860000E-01 1.085000 
1 1 1   17    5   13 o   27.250   0.2970   27.340   0.4138   27.160   0.4261 0.1796000 0.5939000 
1 1 1   17    5   14 o   63.800   0.4262   64.030   0.6040   63.560   0.6015 0.4719000 0.8524000 
1 1 1   17    5   15 o   23.410   0.3917   24.010   0.5287   22.800   0.5781 1.209000 0.7834000 
1 1 1   17    5   16 o   18.670   0.6219   17.900   1.0360   19.450   0.6890 -1.549000 1.244000 
1 1 1   17    5   17 o   35.320   0.3359   35.120   0.4718   35.530   0.4782 -0.4148000 0.6717000 
1 1 1   17    5   18 o   19.880   0.4287   20.250   0.5841   19.520   0.6276 0.7223000 0.8573000 
1 1 1   17    5   19 o   10.380   0.7645   9.3690   1.1420   11.390   1.0170 -2.024000 1.529000 
1 1 1   17    5   20 o   18.390   0.5349   18.080   0.7843   18.700   0.7275 -0.6227000 1.070000 
1 1 1   17    5   21 o   15.890   0.7514   16.390   0.9511   15.390   1.1640 0.9997000 1.503000 
1 1 1   17    5   22 o   3.3320   1.0430   3.8200   1.5870   2.8450   1.3540 0.9742000 2.086000 
1 1 1   17    5   23 o   6.2810   1.1320   6.0200   1.6080   6.5410   1.5940 -0.5210000 2.264000 
1 1 1   17    5   24 o   16.650   0.4525   17.060   0.6036   16.230   0.6743 0.8315000 0.9050000 
1 1 1   17    5   25 o   8.7370   0.8708   8.6020   1.2300   8.8710   1.2330 -0.2694000 1.742000 
1 1 1   17    5   26 f   8.6480   0.8853   8.8920   1.1840   8.4030   1.3160 0.4895000 1.771000 
1 1 1   17    5   27 o   14.300   0.5597   13.960   0.7768   14.640   0.8060 -0.6834000 1.119000 
1 1 1   17    5   28 o   23.350   0.4658   23.670   0.6168   23.030   0.6981 0.6443000 0.9316000 
1 1 1   17    5   29 o   4.2080   1.3280   4.0060   1.8280   4.4110   1.9260 -0.4044000 2.655000 
1 1 1   17    5   30 o   3.0500   1.0350   3.2240   1.5240   2.8750   1.4020 0.3493000 2.071000 
1 1 1   17    5   31 o   5.7270   1.3970   5.9780   1.9760   5.4760   1.9750 0.5022000 2.794000 
1 1 1   17    5   32 o   3.5690   1.1670   3.4820   1.6210   3.6560   1.6790 -0.1747000 2.333000 
1 1 1   17    5   33 o   4.0130   1.3450   3.9240   1.8580   4.1010   1.9440 -0.1776000 2.689000 
1 1 1   17    5   34 o   3.0300   1.0330   3.7030   1.6890   2.3580   1.1900 1.345000 2.066000 
1 1 1   17    7    0 o   49.700   0.4238   49.780   0.6587   49.610   0.5335 0.1673000 0.8476000 
1 1 1   17    7    1 o   23.460   0.2478   23.110   0.3483   23.810   0.3526 -0.7073000 0.4956000 
1 1 1   17    7    2 o   19.190   0.2554   18.970   0.3590   19.400   0.3635 -0.4332000 0.5108000 
1 1 1   17    7    3 o   12.390   0.3037   11.920   0.4358   12.860   0.4231 -0.9349000 0.6074000 
1 1 1   17    7    4 o   58.620   0.3823   58.890   0.5424   58.350   0.5389 0.5372000 0.7646000 
1 1 1   17    7    5 o   31.480   0.2727   31.560   0.4129   31.390   0.3564 0.1674000 0.5454000 
1 1 1   17    7    6 o   76.000   0.5641   76.610   0.8030   75.400   0.7923 1.204000 1.128000 
1 1 1   17    7    7 o   46.030   0.3687   46.520   0.5237   45.540   0.5191 0.9809000 0.7374000 
1 1 1   17    7    8 o   38.940   0.3082   38.680   0.4033   39.200   0.4661 -0.5170000 0.6164000 
1 1 1   17    7    9 o   63.180   0.4145   63.480   0.5880   62.870   0.5845 0.6046000 0.8290000 
1 1 1   17    7   10 o   22.000   0.4123   23.200   0.6413   20.790   0.5184 2.414000 0.8246000 
1 1 1   17    7   11 o   72.230   0.4709   72.580   0.6686   71.870   0.6635 0.7074000 0.9419000 
1 1 1   17    7   12 o   22.010   0.3262   21.920   0.4574   22.090   0.4651 -0.1672000 0.6523000 
1 1 1   17    7   13 o   34.010   0.3057   34.420   0.4297   33.600   0.4351 0.8217000 0.6115000 
1 1 1   17    7   14 o   29.370   0.3596   28.960   0.4917   29.770   0.5249 -0.8119000 0.7193000 
1 1 1   17    7   15 o   54.570   0.3905   54.940   0.5524   54.200   0.5522 0.7400000 0.7811000 
1 1 1   17    7   16 o   12.770   0.7493   12.400   1.0920   13.130   1.0270 -0.7310000 1.499000 
1 1 1   17    7   17 o   21.470   0.4116   22.350   0.5571   20.590   0.6060 1.768000 0.8232000 
1 1 1   17    7   18 o   36.090   0.3369   35.800   0.4718   36.390   0.4812 -0.5904000 0.6739000 
1 1 1   17    7   19 o   12.970   0.7215   12.480   1.0490   13.460   0.9914 -0.9835000 1.443000 
1 1 1   17    7   20 o   10.690   0.8919   10.150   1.3320   11.220   1.1860 -1.074000 1.784000 
1 1 1   17    7   21 o   5.4860   1.2770   4.2070   1.6910   6.7660   1.9140 -2.559000 2.554000 
1 1 1   17    7   22 o   4.0730   1.1430   4.5840   1.6640   3.5620   1.5670 1.022000 2.286000 
1 1 1   17    7   23 o   16.160   0.4806   15.730   0.6638   16.600   0.6953 -0.8742000 0.9613000 
1 1 1   17    7   24 o   9.5090   0.7920   9.4080   1.0610   9.6100   1.1770 -0.2014000 1.584000 
1 1 1   17    7   25 o   3.3220   1.0340   2.3690   1.1710   4.2760   1.7060 -1.907000 2.069000 
1 1 1   17    7   26 o   10.610   0.7639   11.490   0.9361   9.7180   1.2080 1.773000 1.528000 
1 1 1   17    7   27 o   12.730   0.6841   14.690   0.7577   10.770   1.1390 3.916000 1.368000 
1 1 1   17    7   28 o   10.380   1.1250   9.3200   1.6210   11.440   1.5600 -2.121000 2.250000 
1 1 1   17    7   29 o   6.2660   1.3480   7.5530   1.8490   4.9780   1.9610 2.575000 2.695000 
1 1 1   17    7   30 o   7.2120   1.2860   6.5390   1.8600   7.8850   1.7770 -1.346000 2.573000 
1 1 1   17    7   31 o   3.6280   1.1770   3.1840   1.5180   4.0720   1.7990 -0.8885000 2.353000 
1 1 1   17    7   32 o   3.0020   1.0490   2.9220   1.4470   3.0810   1.5190 -0.1594000 2.098000 
1 1 1   17    7   33 o   3.1590   1.0910   3.0890   1.5150   3.2290   1.5700 -0.1397000 2.181000 
1 1 1   17    7   34 o   3.2380   1.0820   2.9810   1.4490   3.4950   1.6080 -0.5146000 2.165000 
1 1 1   17    9    0 o   45.750   0.3118   45.590   0.4393   45.910   0.4426 -0.3187000 0.6236000 
1 1 1   17    9    1 o   44.760   0.3077   44.730   0.4345   44.780   0.4357 -0.5566000E-01 0.6153000 
1 1 1   17    9    2 o   42.980   0.3004   43.070   0.4243   42.890   0.4254 0.1782000 0.6009000 
1 1 1   17    9    3 o   28.190   0.2492   28.450   0.3492   27.940   0.3556 0.5074000 0.4984000 
1 1 1   17    9    4 o   24.310   0.3033   24.370   0.4207   24.250   0.4371 0.1185000 0.6066000 
1 1 1   17    9    5 o   35.800   0.3224   35.650   0.4516   35.950   0.4602 -0.2994000 0.6448000 
1 1 1   17    9    6 o   13.610   0.3694   13.370   0.5134   13.850   0.5313 -0.4809000 0.7389000 
1 1 1   17    9    7 f   54.090   0.3651   54.480   0.5179   53.710   0.5148 0.7743000 0.7303000 
1 1 1   17    9    8 o   17.280   0.3393   17.210   0.4738   17.360   0.4859 -0.1562000 0.6786000 
1 1 1   17    9    9 o   56.690   0.3827   57.060   0.5435   56.320   0.5389 0.7371000 0.7653000 
1 1 1   17    9   10 o   3.7500   1.0130   2.9350   1.3190   4.5660   1.5380 -1.631000 2.026000 
1 1 1   17    9   11 o   39.430   0.3176   39.700   0.4477   39.170   0.4507 0.5390000 0.6353000 
1 1 1   17    9   12 o   21.620   0.3925   22.040   0.5285   21.210   0.5805 0.8301000 0.7850000 
1 1 1   17    9   13 o   4.0020   1.1810   4.0500   1.6550   3.9550   1.6850 0.9520000E-01 2.362000 
1 1 1   17    9   14 o   46.460   0.3590   46.480   0.5041   46.440   0.5112 0.4059000E-01 0.7179000 
1 1 1   17    9   15 o   34.250   0.4077   34.350   0.5767   34.160   0.5764 0.1968000 0.8154000 
1 1 1   17    9   16 o   32.780   0.3489   33.020   0.4902   32.540   0.4966 0.4801000 0.6978000 
1 1 1   17    9   17 o   8.6200   0.9680   8.9650   1.3130   8.2750   1.4230 0.6906000 1.936000 
1 1 1   17    9   18 o   24.480   0.4329   25.020   0.6081   23.940   0.6163 1.077000 0.8658000 
1 1 1   17    9   19 o   30.510   0.3954   30.700   0.5634   30.320   0.5551 0.3752000 0.7909000 
1 1 1   17    9   20 o   16.690   0.5797   17.600   0.6857   15.790   0.9348 1.810000 1.159000 
1 1 1   17    9   21 o   8.5860   0.8741   8.4390   1.1980   8.7330   1.2730 -0.2942000 1.748000 
1 1 1   17    9   22 o   5.7020   1.1430   6.6210   1.5190   4.7830   1.7090 1.838000 2.286000 
1 1 1   17    9   23 o   9.4050   0.7967   9.4530   1.0820   9.3560   1.1700 0.9724000E-01 1.593000 
1 1 1   17    9   24 o   5.5420   1.2000   4.8490   1.6990   6.2340   1.6940 -1.384000 2.399000 
1 1 1   17    9   25 o   4.4740   1.1870   3.7580   1.5810   5.1900   1.7720 -1.432000 2.375000 
1 1 1   17    9   26 o   5.8780   1.2050   6.4810   1.6280   5.2760   1.7780 1.205000 2.411000 
1 1 1   17    9   27 o   6.2060   1.3290   5.8120   1.8370   6.5990   1.9200 -0.7866000 2.657000 
1 1 1   17    9   28 o   5.2690   1.3690   5.5920   1.9280   4.9460   1.9450 0.6458000 2.739000 
1 1 1   17    9   29 o   4.0560   1.2210   4.2850   1.7600   3.8260   1.6920 0.4590000 2.442000 
1 1 1   17    9   30 o   4.3420   1.2790   4.2430   1.7820   4.4410   1.8340 -0.1983000 2.557000 
1 1 1   17    9   31 o   3.7710   1.1870   4.3350   1.8140   3.2070   1.5310 1.128000 2.374000 
1 1 1   17    9   32 o   4.5870   1.4660   4.4210   2.0160   4.7520   2.1300 -0.3309000 2.933000 
1 1 1   17    9   33 o   3.3560   1.1150   3.1810   1.5230   3.5310   1.6280 -0.3507000 2.229000 
1 1 1   17    9   34 o   1.9770   0.7164   1.9030   0.9784   2.0500   1.0470 -0.1470000 1.433000 
1 1 1   17   11    0 o   91.840   0.5852   91.210   0.8220   92.470   0.8332 -1.259000 1.170000 
1 1 1   17   11    1 o   72.940   0.5438   73.490   0.7738   72.380   0.7643 1.103000 1.088000 
1 1 1   17   11    2 o   10.790   0.5588   11.130   0.7535   10.450   0.8254 0.6799000 1.118000 
1 1 1   17   11    3 o   14.200   0.4462   14.270   0.6064   14.130   0.6547 0.1340000 0.8924000 
1 1 1   17   11    4 o   26.440   0.2778   26.640   0.3845   26.230   0.4010 0.4060000 0.5556000 
1 1 1   17   11    5 o   34.200   0.3409   34.270   0.4824   34.130   0.4817 0.1433000 0.6817000 
1 1 1   17   11    6 o   38.580   0.3330   38.270   0.5049   38.890   0.4342 -0.6236000 0.6659000 
1 1 1   17   11    7 o   68.180   0.4485   68.620   0.6372   67.740   0.6313 0.8822000 0.8969000 
1 1 1   17   11    8 o  105.500   0.6728  105.000   0.9466  106.100   0.9563 -1.093000 1.346000 
1 1 1   17   11    9 o   28.790   0.3312   29.430   0.4792   28.150   0.4572 1.278000 0.6623000 
1 1 1   17   11   10 o   33.230   0.3383   33.220   0.4903   33.240   0.4663 -0.1879000E-01 0.6767000 
1 1 1   17   11   11 o   83.570   0.6259   83.550   0.8828   83.590   0.8875 -0.3419000E-01 1.252000 
1 1 1   17   11   12 o   37.570   0.4014   38.280   0.6385   36.860   0.4867 1.419000 0.8028000 
1 1 1   17   11   13 o   35.910   0.3777   35.070   0.4769   36.750   0.5859 -1.672000 0.7554000 
1 1 1   17   11   14 o   23.700   0.4791   24.050   0.6733   23.350   0.6818 0.6985000 0.9582000 
1 1 1   17   11   15 o   13.770   0.6195   13.020   0.9063   14.520   0.8448 -1.499000 1.239000 
1 1 1   17   11   16 o   28.930   0.3573   29.650   0.5011   28.210   0.5094 1.441000 0.7145000 
1 1 1   17   11   17 o   13.940   0.6687   15.060   0.8820   12.830   1.0050 2.228000 1.337000 
1 1 1   17   11   18 o   28.860   0.4014   29.590   0.5721   28.130   0.5633 1.465000 0.8029000 
1 1 1   17   11   19 o   5.9720   1.3290   6.0910   1.7420   5.8520   2.0070 0.2390000 2.657000 
1 1 1   17   11   20 f   19.090   0.4302   19.040   0.5800   19.140   0.6354 -0.1011000 0.8604000 
1 1 1   17   11   21 o   8.4870   0.8909   7.9310   1.2960   9.0430   1.2230 -1.112000 1.782000 
1 1 1   17   11   22 o   13.110   0.5793   12.640   0.8095   13.580   0.8290 -0.9328000 1.159000 
1 1 1   17   11   23 o   5.2170   1.2040   4.4620   1.6740   5.9730   1.7310 -1.511000 2.408000 
1 1 1   17   11   24 o   5.4650   1.1960   6.3810   1.6300   4.5490   1.7510 1.833000 2.392000 
1 1 1   17   11   25 o   3.2300   1.0500   3.1140   1.4350   3.3470   1.5320 -0.2324000 2.099000 
1 1 1   17   11   26 o   5.5340   1.1780   3.3600   1.5460   7.7090   1.7780 -4.349000 2.356000 
1 1 1   17   11   27 o   5.1610   1.4390   4.1530   1.8290   6.1690   2.2230 -2.015000 2.879000 
1 1 1   17   11   28 o   3.2600   1.1000   3.7310   1.7060   2.7890   1.3890 0.9416000 2.200000 
1 1 1   17   11   29 o   3.8840   1.2180   3.5390   1.6250   4.2290   1.8150 -0.6900000 2.436000 
1 1 1   17   11   30 o   4.6040   1.3110   5.0740   1.9050   4.1330   1.8030 0.9409000 2.623000 
1 1 1   17   11   31 f   3.9450   1.2720   3.1450   1.5310   4.7450   2.0330 -1.600000 2.544000 
1 1 1   17   11   32 o   4.5590   1.3820   4.2010   1.8560   4.9170   2.0490 -0.7161000 2.765000 
1 1 1   17   11   33 o   2.0390   0.7381   1.9100   0.9815   2.1680   1.1030 -0.2578000 1.476000 
1 1 1   17   13    0 o   46.790   0.3331   46.920   0.4715   46.660   0.4708 0.2563000 0.6663000 
1 1 1   17   13    1 o   37.390   0.2994   37.240   0.4227   37.540   0.4240 -0.3052000 0.5987000 
1 1 1   17   13    2 o   28.110   0.2973   28.290   0.4170   27.940   0.4240 0.3493000 0.5947000 
1 1 1   17   13    3 o   42.610   0.3227   43.350   0.4563   41.860   0.4564 1.493000 0.6454000 
1 1 1   17   13    4 o   48.250   0.3480   48.060   0.4868   48.440   0.4973 -0.3787000 0.6959000 
1 1 1   17   13    5 o   43.110   0.3286   43.300   0.4626   42.910   0.4669 0.3948000 0.6572000 
1 1 1   17   13    6 o   18.880   0.3970   19.100   0.5472   18.650   0.5755 0.4572000 0.7941000 
1 1 1   17   13    7 o   70.350   0.4676   70.270   0.6601   70.420   0.6625 -0.1467000 0.9352000 
1 1 1   17   13    8 o   19.320   0.4636   19.310   0.6273   19.340   0.6827 -0.2882000E-01 0.9272000 
1 1 1   17   13    9 o   15.730   0.5611   16.050   0.7507   15.420   0.8340 0.6323000 1.122000 
1 1 1   17   13   10 o   28.700   0.3576   28.380   0.4981   29.030   0.5131 -0.6525000 0.7151000 
1 1 1   17   13   11 o   5.5350   1.2540   6.2100   1.7330   4.8600   1.8110 1.350000 2.507000 
1 1 1   17   13   12 f   30.760   0.4324   31.240   0.6200   30.280   0.6028 0.9612000 0.8648000 
1 1 1   17   13   13 o   26.540   0.4569   27.280   0.6502   25.800   0.6420 1.474000 0.9138000 
1 1 1   17   13   14 o   10.400   0.8046   9.9790   1.1710   10.830   1.1040 -0.8494000 1.609000 
1 1 1   17   13   15 o   43.010   0.4146   42.520   0.5901   43.500   0.5825 -0.9740000 0.8292000 
1 1 1   17   13   16 f   8.7300   1.0550   8.9980   1.4190   8.4620   1.5600 0.5353000 2.109000 
1 1 1   17   13   17 o   8.7590   0.9091   8.8200   1.2260   8.6980   1.3430 0.1223000 1.818000 
1 1 1   17   13   18 o   12.880   0.7365   13.080   0.9204   12.670   1.1500 0.4058000 1.473000 
1 1 1   17   13   19 o   19.000   0.4411   19.570   0.5976   18.440   0.6489 1.131000 0.8822000 
1 1 1   17   13   20 o   12.250   0.6144   11.950   0.8541   12.540   0.8834 -0.5904000 1.229000 
1 1 1   17   13   21 o   5.4250   1.1490   4.2150   1.6400   6.6350   1.6110 -2.420000 2.299000 
1 1 1   17   13   22 o   5.8960   1.1430   7.0330   1.4950   4.7590   1.7280 2.275000 2.285000 
1 1 1   17   13   23 o   3.6360   1.1070   4.1240   1.6650   3.1480   1.4600 0.9765000 2.214000 
1 1 1   17   13   24 o   3.5360   1.0870   4.1600   1.6750   2.9120   1.3870 1.248000 2.175000 
1 1 1   17   13   25 o   3.3770   1.1020   3.4130   1.5610   3.3410   1.5560 0.7181000E-01 2.204000 
1 1 1   17   13   26 o   4.4410   1.2550   5.3240   1.8940   3.5570   1.6480 1.767000 2.511000 
1 1 1   17   13   27 o   4.6120   1.3400   3.8700   1.7550   5.3530   2.0240 -1.483000 2.679000 
1 1 1   17   13   28 o   3.6250   1.1370   4.3390   1.7750   2.9120   1.4200 1.427000 2.273000 
1 1 1   17   13   29 o   5.0930   1.3680   5.2750   1.9260   4.9110   1.9430 0.3638000 2.736000 
1 1 1   17   13   30 o   2.9900   1.0440   2.7820   1.3880   3.1970   1.5600 -0.4148000 2.088000 
1 1 1   17   13   31 o   3.1690   1.0950   2.8960   1.4370   3.4410   1.6530 -0.5455000 2.190000 
1 1 1   17   13   32 o   2.4190   0.8621   2.1720   1.1060   2.6670   1.3230 -0.4946000 1.724000 
1 1 1   17   15    0 o   61.180   0.4127   60.960   0.5818   61.390   0.5855 -0.4277000 0.8254000 
1 1 1   17   15    1 o   56.990   0.3925   56.990   0.5541   56.990   0.5562 0.8888000E-03 0.7851000 
1 1 1   17   15    2 o   32.360   0.3702   32.530   0.5182   32.190   0.5288 0.3328000 0.7404000 
1 1 1   17   15    3 o   12.920   0.6879   13.590   0.8929   12.250   1.0470 1.344000 1.376000 
1 1 1   17   15    4 o   5.7470   1.3020   4.8970   1.8450   6.5970   1.8370 -1.700000 2.604000 
1 1 1   17   15    5 o   28.440   0.4471   27.040   0.5656   29.840   0.6927 -2.797000 0.8943000 
1 1 1   17   15    6 o   8.8570   0.9854   9.3190   1.2830   8.3950   1.4960 0.9242000 1.971000 
1 1 1   17   15    7 o   16.200   0.5415   15.830   0.7594   16.580   0.7722 -0.7450000 1.083000 
1 1 1   17   15    8 o   13.810   0.6394   13.270   0.9169   14.340   0.8914 -1.072000 1.279000 
1 1 1   17   15    9 o   31.030   0.3653   30.990   0.5092   31.080   0.5240 -0.9149000E-01 0.7307000 
1 1 1   17   15   10 o   23.450   0.5171   23.600   0.7355   23.300   0.7272 0.3034000 1.034000 
1 1 1   17   15   11 o   14.010   0.8972   14.260   1.1350   13.750   1.3900 0.5131000 1.794000 
1 1 1   17   15   12 o   11.230   0.8260   13.010   0.9488   9.4510   1.3520 3.558000 1.652000 
1 1 1   17   15   13 o   6.7110   1.3100   7.3590   1.7850   6.0630   1.9180 1.296000 2.620000 
1 1 1   17   15   14 o   29.890   0.4165   29.800   0.5926   29.990   0.5855 -0.1877000 0.8330000 
1 1 1   17   15   15 o   16.580   0.5061   17.000   0.6904   16.170   0.7401 0.8340000 1.012000 
1 1 1   17   15   16 o   18.010   0.4558   18.390   0.6133   17.620   0.6743 0.7730000 0.9115000 
1 1 1   17   15   17 o   11.190   0.8665   12.050   1.0050   10.330   1.4110 1.716000 1.733000 
1 1 1   17   15   18 f   9.3950   0.8330   8.5470   1.2490   10.240   1.1020 -1.697000 1.666000 
1 1 1   17   15   19 o   8.6670   0.9539   10.330   1.0360   7.0020   1.6020 3.330000 1.908000 
1 1 1   17   15   20 o   6.4030   1.1690   6.8170   1.5620   5.9890   1.7400 0.8283000 2.338000 
1 1 1   17   15   21 o   18.190   0.4605   18.470   0.6224   17.920   0.6790 0.5477000 0.9211000 
1 1 1   17   15   22 o   9.1450   0.9252   9.4990   1.2100   8.7910   1.4000 0.7079000 1.850000 
1 1 1   17   15   23 o   2.9690   0.9889   3.3540   1.5130   2.5840   1.2740 0.7706000 1.978000 
1 1 1   17   15   24 o   11.070   0.8649   11.940   1.0830   10.190   1.3490 1.755000 1.730000 
1 1 1   17   15   25 o   4.7410   1.2620   5.3980   1.8220   4.0830   1.7460 1.315000 2.524000 
1 1 1   17   15   26 o   3.4480   1.1590   3.2720   1.5700   3.6250   1.7040 -0.3536000 2.317000 
1 1 1   17   15   27 o   4.2660   1.2420   5.0020   1.8730   3.5300   1.6320 1.472000 2.484000 
1 1 1   17   15   28 o   4.5760   1.2220   6.1410   1.9600   3.0120   1.4610 3.129000 2.444000 
1 1 1   17   15   29 o   3.6940   1.2210   4.0460   1.8340   3.3420   1.6130 0.7036000 2.443000 
1 1 1   17   15   30 o   2.4190   0.8688   2.4170   1.2260   2.4220   1.2320 -0.4713000E-02 1.738000 
1 1 1   17   15   31 o   2.8260   0.9764   3.4190   1.5920   2.2330   1.1310 1.186000 1.953000 
1 1 1   17   17    0 o   45.480   0.3594   45.260   0.5078   45.700   0.5087 -0.4408000 0.7188000 
1 1 1   17   17    1 o   79.110   0.5200   78.800   0.7328   79.430   0.7380 -0.6261000 1.040000 
1 1 1   17   17    2 o   42.220   0.4045   42.000   0.5702   42.440   0.5738 -0.4400000 0.8089000 
1 1 1   17   17    3 o   32.890   0.3756   34.130   0.5520   31.640   0.5095 2.487000 0.7512000 
1 1 1   17   17    4 o   40.440   0.3535   41.150   0.4960   39.720   0.5039 1.430000 0.7071000 
1 1 1   17   17    5 o   46.660   0.3720   47.390   0.5246   45.920   0.5277 1.470000 0.7441000 
1 1 1   17   17    6 o   10.820   0.8650   12.010   1.0160   9.6300   1.4000 2.383000 1.730000 
1 1 1   17   17    7 o   25.060   0.4038   25.120   0.5467   25.010   0.5944 0.1122000 0.8076000 
1 1 1   17   17    8 o   22.560   0.5317   23.300   0.7201   21.810   0.7826 1.485000 1.063000 
1 1 1   17   17    9 o   15.060   0.7667   15.410   1.0830   14.710   1.0860 0.6960000 1.533000 
1 1 1   17   17   10 o   21.290   0.5118   21.330   0.7174   21.260   0.7300 0.7071000E-01 1.024000 
1 1 1   17   17   11 o   14.440   0.6895   14.410   0.9449   14.460   1.0040 -0.5363000E-01 1.379000 
1 1 1   17   17   12 o   6.6030   1.2650   5.0050   1.8840   8.2000   1.6880 -3.195000 2.530000 
1 1 1   17   17   13 o   10.510   0.8156   11.570   0.9747   9.4480   1.3080 2.121000 1.631000 
1 1 1   17   17   14 o   5.6730   1.2300   4.9470   1.7490   6.3990   1.7290 -1.452000 2.459000 
1 1 1   17   17   15 o   5.2380   1.3390   5.0250   1.8240   5.4510   1.9610 -0.4254000 2.678000 
1 1 1   17   17   16 o   4.6450   1.3060   4.5880   1.8010   4.7020   1.8920 -0.1143000 2.611000 
1 1 1   17   17   17 o   4.2950   1.1800   3.5230   1.5480   5.0660   1.7830 -1.544000 2.361000 
1 1 1   17   17   18 o   26.380   0.3684   26.360   0.5101   26.400   0.5315 -0.4110000E-01 0.7367000 
1 1 1   17   17   19 o   6.1520   1.2170   6.7400   1.6200   5.5640   1.8170 1.176000 2.434000 
1 1 1   17   17   20 o   4.8130   1.1490   3.1240   1.4750   6.5010   1.7630 -3.376000 2.299000 
1 1 1   17   17   21 o   10.630   0.7825   10.810   1.0720   10.440   1.1400 0.3675000 1.565000 
1 1 1   17   17   22 o   5.8930   1.3140   4.8060   1.8320   6.9810   1.8850 -2.174000 2.629000 
1 1 1   17   17   23 o   3.6080   1.1610   3.3170   1.5430   3.8990   1.7340 -0.5820000 2.322000 
1 1 1   17   17   24 o   6.9220   1.2930   7.2090   1.7570   6.6350   1.8990 0.5742000 2.587000 
1 1 1   17   17   25 o   6.9390   1.4590   7.2120   2.0260   6.6670   2.1010 0.5442000 2.919000 
1 1 1   17   17   26 o   4.3200   1.2890   4.3150   1.8110   4.3250   1.8350 -0.9082000E-02 2.578000 
1 1 1   17   17   27 f   2.8660   0.9960   2.9490   1.4430   2.7840   1.3730 0.1659000 1.992000 
1 1 1   17   17   28 o   3.4370   1.1610   3.8680   1.7830   3.0070   1.4860 0.8606000 2.321000 
1 1 1   17   17   29 o   3.2420   1.0970   4.0350   1.8090   2.4480   1.2430 1.587000 2.195000 
1 1 1   17   17   30 o   2.5500   0.8992   2.7540   1.3540   2.3460   1.1830 0.4077000 1.798000 
1 1 1   17   19    0 o   23.930   0.4089   23.550   0.5837   24.300   0.5726 -0.7505000 0.8177000 
1 1 1   17   19    1 o   20.940   0.5474   21.250   0.8828   20.620   0.6474 0.6254000 1.095000 
1 1 1   17   19    2 f   22.090   0.5275   22.150   0.8557   22.020   0.6172 0.1324000 1.055000 
1 1 1   17   19    3 o   23.460   0.5499   23.280   0.8361   23.650   0.7145 -0.3748000 1.100000 
1 1 1   17   19    4 f   19.400   0.6358   18.690   0.9855   20.110   0.8036 -1.421000 1.272000 
1 1 1   17   19    5 o   15.270   0.7983   14.720   1.2270   15.820   1.0220 -1.099000 1.597000 
1 1 1   17   19    6 o   32.850   0.6372   32.570   1.0380   33.120   0.7397 -0.5556000 1.274000 
1 1 1   17   19    7 o   25.970   0.6495   26.470   1.1290   25.470   0.6429 0.9966000 1.299000 
1 1 1   17   19    8 o   12.630   1.1850   11.880   2.1270   13.380   1.0470 -1.502000 2.371000 
1 1 1   17   19    9 o   4.4260   1.3150   4.3170   1.9130   4.5340   1.8050 -0.2170000 2.630000 
1 1 1   17   19   10 o   37.400   0.5127  ?   ?    37.400   0.5127      ?      ? 
1 1 1   17   19   11 o   32.170   0.4081   32.400   0.6316   31.940   0.5171 0.4609000 0.8163000 
1 1 1   17   19   12 o   15.100   0.5754   14.990   0.7923   15.220   0.8346 -0.2316000 1.151000 
1 1 1   17   19   13 o   21.700   0.4957   20.930   0.6921   22.470   0.7099 -1.537000 0.9914000 
1 1 1   17   19   14 o   10.900   0.8875   10.110   1.2700   11.700   1.2400 -1.586000 1.775000 
1 1 1   17   19   15 o   10.050   0.7991   10.150   1.1050   9.9510   1.1550 0.1961000 1.598000 
1 1 1   17   19   16 o   4.4030   1.1870   3.6060   1.5790   5.2000   1.7730 -1.594000 2.374000 
1 1 1   17   19   17 o   8.5220   1.0050   6.8970   1.6260   10.150   1.1830 -3.250000 2.011000 
1 1 1   17   19   18 o   14.460   0.5865   14.530   0.7925   14.390   0.8648 0.1451000 1.173000 
1 1 1   17   19   19 o   8.3670   1.0350   6.9340   1.6330   9.8010   1.2730 -2.867000 2.071000 
1 1 1   17   19   20 o   9.4300   0.9117   9.6630   1.2450   9.1970   1.3320 0.4660000 1.823000 
1 1 1   17   19   21 o   5.1060   1.3580   5.2610   1.8990   4.9500   1.9410 0.3112000 2.716000 
1 1 1   17   19   22 o   6.8630   1.2570   6.1430   1.8300   7.5820   1.7230 -1.439000 2.514000 
1 1 1   17   19   23 o   4.2550   1.3290   4.2380   1.8830   4.2710   1.8770 -0.3306000E-01 2.658000 
1 1 1   17   19   24 o   4.6610   1.4100   4.7950   2.0190   4.5270   1.9690 0.2682000 2.820000 
1 1 1   17   19   25 o   3.4720   1.1380   3.5970   1.6380   3.3470   1.5800 0.2497000 2.276000 
1 1 1   17   19   26 o   5.6880   1.4890   5.9500   2.1270   5.4260   2.0860 0.5241000 2.979000 
1 1 1   17   19   27 o   6.2820   1.4750   5.9620   2.0060   6.6020   2.1620 -0.6404000 2.949000 
1 1 1   17   19   28 o   2.7030   0.9566   2.9060   1.4350   2.4990   1.2660 0.4069000 1.913000 
1 1 1   17   19   29 o   2.4880   0.8796   2.2960   1.1580   2.6810   1.3240 -0.3853000 1.759000 
1 1 1   17   21    0 o   21.060   0.5501   19.770   0.8672   22.350   0.6771 -2.579000 1.100000 
1 1 1   17   21    1 o   24.220   0.4473   24.400   0.6146   24.050   0.6502 0.3438000 0.8947000 
1 1 1   17   21    2 o   30.310   0.3848   30.680   0.4968   29.930   0.5877 0.7505000 0.7695000 
1 1 1   17   21    3 o   28.750   0.3665   29.050   0.4991   28.450   0.5367 0.5987000 0.7329000 
1 1 1   17   21    4 o   23.580   0.4028   24.400   0.5370   22.770   0.6005 1.633000 0.8056000 
1 1 1   17   21    5 o   7.8840   1.0580   7.0940   1.5520   8.6730   1.4380 -1.579000 2.116000 
1 1 1   17   21    6 o   16.770   0.5054   17.270   0.6664   16.280   0.7601 0.9912000 1.011000 
1 1 1   17   21    7 o   22.900   0.4068   22.770   0.5594   23.030   0.5907 -0.2634000 0.8136000 
1 1 1   17   21    8 o   16.920   0.5125   16.110   0.7207   17.720   0.7289 -1.613000 1.025000 
1 1 1   17   21    9 o   24.960   0.3817   24.920   0.5153   25.010   0.5632 -0.9492000E-01 0.7633000 
1 1 1   17   21   10 o   12.390   0.7833   13.800   0.8530   10.980   1.3140 2.813000 1.567000 
1 1 1   17   21   11 o   14.310   0.6621   14.230   0.8528   14.400   1.0130 -0.1758000 1.324000 
1 1 1   17   21   12 o   4.6740   1.2710   5.0460   1.8440   4.3010   1.7490 0.7445000 2.541000 
1 1 1   17   21   13 o   5.8970   1.2950   7.0270   1.8710   4.7660   1.7930 2.261000 2.591000 
1 1 1   17   21   14 o   6.6880   1.3810   5.8800   2.2310   7.4950   1.6290 -1.615000 2.763000 
1 1 1   17   21   15 o   5.5910   1.4470   5.5140   2.2240   5.6670   1.8510 -0.1523000 2.894000 
1 1 1   17   21   16 o   14.600   0.8524   13.060   1.5030   16.150   0.8041 -3.099000 1.705000 
1 1 1   17   21   17 o   9.9560   1.1960   9.5760   2.0400   10.340   1.2480 -0.7591000 2.391000 
1 1 1   17   21   18 o   10.330   1.3320   11.090   2.1870   9.5720   1.5200 1.521000 2.664000 
1 1 1   17   21   19 o   6.1600   1.5930   5.6260   2.4600   6.6940   2.0240 -1.068000 3.186000 
1 1 1   17   21   20 f   4.3550   1.3570   4.5090   2.0340   4.2020   1.7970 0.3073000 2.714000 
1 1 1   17   21   21 o   13.300   0.9208   13.740   1.4640   12.850   1.1170 0.8910000 1.842000 
1 1 1   17   21   22 o   3.5630   1.2050   3.4150   1.6660   3.7120   1.7410 -0.2974000 2.410000 
1 1 1   17   21   23 o   3.0930   1.0740   2.9150   1.4690   3.2700   1.5670 -0.3552000 2.148000 
1 1 1   17   21   24 o   3.4000   1.2000   3.6300   1.8310   3.1710   1.5510 0.4591000 2.399000 
1 1 1   17   21   25 o   3.7950   1.2730   3.4010   1.7260   4.1890   1.8720 -0.7884000 2.546000 
1 1 1   17   21   26 o   3.0170   1.0500   2.8590   1.4430   3.1750   1.5260 -0.3163000 2.100000 
1 1 1   17   21   27 o   2.2830   0.8263   2.1670   1.1170   2.3980   1.2180 -0.2317000 1.653000 
1 1 1   17   23    0 o   28.960   0.3420   28.980   0.4839   28.950   0.4835 0.2665000E-01 0.6840000 
1 1 1   17   23    1 f   8.6940   0.9345   9.5740   1.1640   7.8140   1.4620 1.761000 1.869000 
1 1 1   17   23    2 f   16.300   0.5092   15.700   0.7350   16.900   0.7048 -1.197000 1.018000 
1 1 1   17   23    3 o   22.640   0.4328   23.340   0.5415   21.940   0.6753 1.399000 0.8657000 
1 1 1   17   23    4 o   7.4850   1.1190   8.3150   1.3720   6.6550   1.7680 1.660000 2.238000 
1 1 1   17   23    5 o   7.8540   1.0730   9.0070   1.2080   6.7020   1.7740 2.304000 2.146000 
1 1 1   17   23    6 o   8.3540   1.1310   8.4830   1.4390   8.2250   1.7450 0.2572000 2.261000 
1 1 1   17   23    7 o   5.9970   1.3510   5.7550   1.8160   6.2390   2.0010 -0.4839000 2.702000 
1 1 1   17   23    8 o   5.6430   1.1640   3.0300   1.4380   8.2570   1.8300 -5.227000 2.328000 
1 1 1   17   23    9 o   19.440   0.4583   19.490   0.6120   19.390   0.6824 0.1029000 0.9166000 
1 1 1   17   23   10 o   15.090   0.5682   14.980   0.7548   15.210   0.8496 -0.2357000 1.136000 
1 1 1   17   23   11 o   9.3570   0.9042   9.4470   1.1900   9.2670   1.3610 0.1797000 1.808000 
1 1 1   17   23   12 o   9.0780   0.9462   8.6970   1.3220   9.4600   1.3540 -0.7638000 1.892000 
1 1 1   17   23   13 o   16.380   0.5485   17.080   0.7057   15.670   0.8398 1.402000 1.097000 
1 1 1   17   23   14 o   10.250   0.8827   9.7650   1.2870   10.730   1.2090 -0.9632000 1.765000 
1 1 1   17   23   15 o   4.7770   1.2980   4.5470   1.7900   5.0080   1.8790 -0.4608000 2.595000 
1 1 1   17   23   16 o   11.020   0.9257   10.160   1.3360   11.870   1.2810 -1.705000 1.851000 
1 1 1   17   23   17 o   3.3220   1.1140   2.8240   1.3930   3.8190   1.7380 -0.9949000 2.227000 
1 1 1   17   23   18 o   9.0820   1.0790   9.8880   1.3850   8.2760   1.6560 1.612000 2.159000 
1 1 1   17   23   19 o   4.8150   1.3450   4.6250   1.8640   5.0050   1.9390 -0.3803000 2.690000 
1 1 1   17   23   20 o   5.6760   1.4960   4.9240   2.0470   6.4270   2.1810 -1.503000 2.992000 
1 1 1   17   23   21 o   4.6060   1.2920   5.5430   1.9650   3.6690   1.6780 1.874000 2.584000 
1 1 1   17   23   22 o   2.9420   1.0300   3.2600   1.5800   2.6230   1.3230 0.6373000 2.061000 
1 1 1   17   23   23 o   4.4780   1.3670   4.8040   2.0140   4.1520   1.8480 0.6518000 2.733000 
1 1 1   17   23   24 o   3.6750   1.1840   3.1980   1.5280   4.1530   1.8090 -0.9553000 2.368000 
1 1 1   17   23   25 o   2.1810   0.7906   2.0640   1.0610   2.2970   1.1720 -0.2327000 1.581000 
1 1 1   17   23   26 o   1.8250   0.6730   1.7530   0.9139   1.8980   0.9882 -0.1451000 1.346000 
1 1 1   17   25    0 o   14.800   0.7013   14.800   1.0670   14.790   0.9103 0.1349000E-01 1.403000 
1 1 1   17   25    1 o   19.560   0.5040   19.530   0.6998   19.590   0.7255 -0.5838000E-01 1.008000 
1 1 1   17   25    2 o   4.2330   1.2710   4.6660   1.8160   3.8000   1.7780 0.8661000 2.542000 
1 1 1   17   25    3 o   7.9430   1.1410   9.8270   1.3090   6.0590   1.8680 3.768000 2.282000 
1 1 1   17   25    4 o   9.6180   0.9027   9.8270   1.1770   9.4090   1.3690 0.4176000 1.805000 
1 1 1   17   25    5 o   8.5190   1.0240   7.4050   1.5580   9.6340   1.3310 -2.228000 2.049000 
1 1 1   17   25    6 o   7.9700   1.0820   8.6860   1.3010   7.2550   1.7300 1.430000 2.165000 
1 1 1   17   25    7 o   12.650   0.6801   13.050   0.8721   12.250   1.0440 0.7982000 1.360000 
1 1 1   17   25    8 o   12.810   0.6742   12.820   0.9137   12.810   0.9915 0.1074000E-01 1.348000 
1 1 1   17   25    9 o   7.2290   1.1830   7.1640   1.6040   7.2930   1.7400 -0.1282000 2.367000 
1 1 1   17   25   10 o   6.0030   1.2230   7.3320   1.5940   4.6750   1.8560 2.657000 2.447000 
1 1 1   17   25   11 o   13.040   0.7196   14.710   0.8399   11.360   1.1690 3.346000 1.439000 
1 1 1   17   25   12 o   4.7560   1.3420   5.1420   1.9180   4.3700   1.8770 0.7726000 2.683000 
1 1 1   17   25   13 o   5.4380   1.3920   5.4440   1.9480   5.4320   1.9890 0.1185000E-01 2.784000 
1 1 1   17   25   14 o   6.5070   1.2920   7.1570   1.7340   5.8560   1.9160 1.301000 2.584000 
1 1 1   17   25   15 o   8.5890   1.1080   8.2010   1.5750   8.9770   1.5580 -0.7756000 2.215000 
1 1 1   17   25   16 o   3.6440   1.1740   3.4740   1.6000   3.8140   1.7180 -0.3399000 2.348000 
1 1 1   17   25   17 o   5.0670   1.4550   4.2510   1.8990   5.8830   2.2040 -1.632000 2.910000 
1 1 1   17   25   18 o   3.9730   1.2970   3.6780   1.7390   4.2670   1.9230 -0.5887000 2.593000 
1 1 1   17   25   19 o   3.5520   1.1620   3.1940   1.5210   3.9090   1.7570 -0.7149000 2.324000 
1 1 1   17   25   20 o   4.2850   1.3370   4.5210   1.9490   4.0490   1.8310 0.4720000 2.674000 
1 1 1   17   25   21 o   3.1930   1.1000   2.8600   1.4240   3.5250   1.6780 -0.6649000 2.201000 
1 1 1   17   25   22 o   2.2740   0.8154   2.2430   1.1380   2.3040   1.1680 -0.6113000E-01 1.631000 
1 1 1   17   25   23 o   2.6040   0.9259   2.5990   1.3040   2.6100   1.3150 -0.1151000E-01 1.852000 
1 1 1   17   25   24 o   1.7680   0.6518   1.7760   0.9259   1.7600   0.9178 0.1606000E-01 1.304000 
1 1 1   17   27    0 f   20.400   0.4732   20.450   0.7018   20.360   0.6350 0.8708000E-01 0.9464000 
1 1 1   17   27    1 o   15.060   0.6235   14.320   0.9550   15.800   0.8017 -1.487000 1.247000 
1 1 1   17   27    2 o   19.100   0.5269   19.340   0.6498   18.860   0.8297 0.4809000 1.054000 
1 1 1   17   27    3 o   6.1660   1.2270   7.7190   1.6020   4.6130   1.8590 3.106000 2.454000 
1 1 1   17   27    4 o   14.240   0.6492   14.410   0.8626   14.070   0.9705 0.3460000 1.298000 
1 1 1   17   27    5 o   7.3230   1.2040   8.8620   1.4010   5.7850   1.9590 3.076000 2.408000 
1 1 1   17   27    6 o   5.6910   1.4200   5.7860   1.9700   5.5960   2.0460 0.1896000 2.840000 
1 1 1   17   27    7 o   8.1380   1.2510   9.4130   1.4870   6.8620   2.0130 2.551000 2.502000 
1 1 1   17   27    8 o   3.5370   1.1560   3.9860   1.7600   3.0870   1.5000 0.8993000 2.313000 
1 1 1   17   27    9 o   5.5440   1.3800   6.4190   1.9670   4.6680   1.9370 1.751000 2.761000 
1 1 1   17   27   10 o   4.5160   1.2520   3.6890   1.6450   5.3430   1.8900 -1.654000 2.505000 
1 1 1   17   27   11 o   9.3670   0.9958   8.9110   1.4500   9.8220   1.3650 -0.9110000 1.992000 
1 1 1   17   27   12 o   3.3860   1.1170   3.4820   1.6050   3.2890   1.5540 0.1929000 2.234000 
1 1 1   17   27   13 o   3.3030   1.1020   3.0660   1.4700   3.5410   1.6410 -0.4754000 2.203000 
1 1 1   17   27   14 o   5.5060   1.0960   8.1420   1.6780   2.8700   1.4100 5.272000 2.192000 
1 1 1   17   27   15 o   5.3200   1.4700   6.0020   2.1550   4.6390   2.0010 1.363000 2.940000 
1 1 1   17   27   16 o   3.7200   1.2390   3.8070   1.7790   3.6320   1.7260 0.1750000 2.478000 
1 1 1   17   27   17 o   3.5420   1.1900   3.7570   1.7510   3.3270   1.6120 0.4303000 2.380000 
1 1 1   17   27   18 o   3.6290   1.2130   3.0160   1.5090   4.2420   1.9000 -1.226000 2.426000 
1 1 1   17   27   19 o   2.7140   0.9496   2.8870   1.4090   2.5410   1.2730 0.3459000 1.899000 
1 1 1   17   27   20 o   2.9800   1.0170   3.3450   1.5630   2.6150   1.3010 0.7306000 2.033000 
1 1 1   17   27   21 o   2.6870   0.9513   2.4950   1.2580   2.8790   1.4270 -0.3835000 1.903000 
1 1 1   17   29    0 o   8.0160   1.1250   6.6770   1.7730   9.3540   1.3840 -2.677000 2.249000 
1 1 1   17   29    1 o   22.950   0.4362   22.910   0.6038   22.980   0.6298 -0.7143000E-01 0.8725000 
1 1 1   17   29    2 o   10.300   1.0150   12.750   0.9884   7.8560   1.7720 4.897000 2.029000 
1 1 1   17   29    3 o   11.140   0.8762   12.010   1.0740   10.280   1.3840 1.734000 1.752000 
1 1 1   17   29    4 o   6.4000   1.3400   6.3670   1.8350   6.4330   1.9540 -0.6632000E-01 2.680000 
1 1 1   17   29    5 o   4.7650   1.2600   5.9220   1.8990   3.6090   1.6580 2.313000 2.521000 
1 1 1   17   29    6 o   5.5660   1.3580   6.0000   1.9020   5.1320   1.9370 0.8683000 2.715000 
1 1 1   17   29    7 o   2.9250   1.0050   2.9290   1.4200   2.9200   1.4230 0.9341000E-02 2.010000 
1 1 1   17   29    8 o   6.2390   1.3220   5.1970   1.9030   7.2800   1.8370 -2.084000 2.645000 
1 1 1   17   29    9 o   4.1850   1.2570   4.2920   1.7910   4.0780   1.7640 0.2136000 2.514000 
1 1 1   17   29   10 o   3.5690   1.1390   4.2720   1.7950   2.8660   1.4030 1.405000 2.278000 
1 1 1   17   29   11 f   7.3290   1.4900   7.6240   2.0810   7.0330   2.1320 0.5914000 2.979000 
1 1 1   17   29   12 o   3.5050   1.1770   2.9700   1.4680   4.0390   1.8400 -1.069000 2.354000 
1 1 1   17   29   13 o   4.6620   1.4040   4.9180   2.0240   4.4060   1.9480 0.5126000 2.809000 
1 1 1   17   29   14 o   3.9150   1.2610   3.0800   1.5080   4.7490   2.0210 -1.669000 2.522000 
1 1 1   17   29   15 o   3.7960   1.2080   3.6480   1.6610   3.9430   1.7540 -0.2948000 2.416000 
1 1 1   17   29   16 o   3.3980   1.1180   3.2610   1.5320   3.5350   1.6290 -0.2735000 2.236000 
1 1 1   17   29   17 o   2.4480   0.8703   2.1440   1.0900   2.7520   1.3570 -0.6074000 1.741000 
1 1 1   17   29   18 o   2.7760   0.9631   2.3710   1.1920   3.1800   1.5130 -0.8095000 1.926000 
1 1 1   17   31    0 o   4.9550   1.3320   4.4760   1.8090   5.4340   1.9570 -0.9580000 2.665000 
1 1 1   17   31    1 o   3.8030   1.1880   3.0550   1.4590   4.5510   1.8750 -1.496000 2.376000 
1 1 1   17   31    2 o   13.190   0.7592   14.030   0.9446   12.340   1.1890 1.693000 1.518000 
1 1 1   17   31    3 o   7.4790   1.2840   7.9150   1.6850   7.0440   1.9370 0.8710000 2.568000 
1 1 1   17   31    4 o   5.6250   1.1720   3.1720   1.5050   8.0780   1.7960 -4.906000 2.343000 
1 1 1   17   31    5 o   4.9330   1.4130   5.7570   2.1180   4.1100   1.8720 1.647000 2.827000 
1 1 1   17   31    6 o   4.3020   1.3920   3.3010   1.6330   5.3020   2.2550 -2.001000 2.784000 
1 1 1   17   31    7 o   4.5240   1.4560   4.5570   2.0570   4.4910   2.0620 0.6584000E-01 2.912000 
1 1 1   17   31    8 o   3.5760   1.2330   4.0920   1.9270   3.0600   1.5390 1.032000 2.466000 
1 1 1   17   31    9 o   4.3510   1.3400   3.5110   1.6570   5.1920   2.1070 -1.681000 2.681000 
1 1 1   17   31   10 o   3.1180   1.0660   3.1130   1.4880   3.1230   1.5260 -0.9422000E-02 2.131000 
1 1 1   17   31   11 o   2.8540   0.9866   2.7830   1.3670   2.9250   1.4230 -0.1420000 1.973000 
1 1 1   17   31   12 o   3.2810   1.0900   3.0830   1.4690   3.4800   1.6100 -0.3978000 2.180000 
1 1 1   17   31   13 o   2.9770   1.0100   2.3550   1.1850   3.6000   1.6360 -1.245000 2.020000 
1 1 1   17   31   14 o   2.3760   0.8439   2.3550   1.1830   2.3970   1.2040 -0.4212000E-01 1.688000 
1 1 1   17   33    0 o   3.1130   1.0500   3.0030   1.4430   3.2240   1.5250 -0.2209000 2.099000 
1 1 1   17   33    1 o   6.1650   1.8870   6.1650   1.8870  ?   ?       ?      ? 
1 1 1   17   33    2 o   3.8020   1.2200   3.2820   1.5410   4.3230   1.8920 -1.041000 2.440000 
1 1 1   17   33    3 o   3.2910   1.1170   3.3630   1.5680   3.2190   1.5910 0.1437000 2.234000 
1 1 1   17   33    4 o   5.0260   1.3720   5.7830   1.9160   4.2700   1.9630 1.513000 2.744000 
1 1 1   17   33    5 o   3.9080   1.1930   4.8590   1.8690   2.9580   1.4830 1.901000 2.386000 
1 1 1   17   33    6 o   2.2970   0.8260   2.3720   1.1920   2.2220   1.1440 0.1495000 1.652000 
1 1 1   17   33    7 o   2.2940   0.8242   2.3950   1.2010   2.1920   1.1290 0.2030000 1.648000 
1 1 1   17   33    8 o   2.5290   0.9081   2.2370   1.1310   2.8220   1.4210 -0.5846000 1.816000 
1 1 1   17   33    9 o   1.8440   0.6761   1.8330   0.9504   1.8540   0.9618 -0.2149000E-01 1.352000 
1 1 1   18    0    0 o   2.7120   1.1640   2.7120   1.1640   2.7120   1.1640 -0.000000 0.000000 
1 1 1   18    0    2 o   94.100   1.1870   94.100   1.1870   94.100   1.1870 -0.000000 0.000000 
1 1 1   18    0    3 o   27.260   0.2917   27.260   0.2917   27.260   0.2917 0.000000 0.000000 
1 1 1   18    0    4 o   40.760   0.3861   40.760   0.3861   40.760   0.3861 0.000000 0.000000 
1 1 1   18    0    5 o   22.970   0.2945   22.970   0.2945   22.970   0.2945 -0.000000 0.000000 
1 1 1   18    0    6 o   42.320   0.4031   42.320   0.4031   42.320   0.4031 -0.000000 0.000000 
1 1 1   18    0    7 o   15.050   0.5488   15.050   0.5488   15.050   0.5488 0.000000 0.000000 
1 1 1   18    0    8 o   4.0010   1.8000   4.0010   1.8000   4.0010   1.8000 0.000000 0.000000 
1 1 1   18    0    9 o   49.580   0.4696   49.580   0.4696   49.580   0.4696 0.000000 0.000000 
1 1 1   18    0   10 o   17.700   0.4577   17.700   0.4577   17.700   0.4577 0.000000 0.000000 
1 1 1   18    0   11 o   48.410   0.4674   48.410   0.4674   48.410   0.4674 -0.000000 0.000000 
1 1 1   18    0   12 o   19.000   0.4330   19.000   0.4330   19.000   0.4330 0.000000 0.000000 
1 1 1   18    0   13 o   45.520   0.4616   45.520   0.4616   45.520   0.4616 -0.000000 0.000000 
1 1 1   18    0   14 o   57.140   0.5485   57.140   0.5485   57.140   0.5485 -0.000000 0.000000 
1 1 1   18    0   15 o   27.200   0.4462   27.200   0.4462   27.200   0.4462 0.000000 0.000000 
1 1 1   18    0   16 o   23.420   0.6661   23.420   0.6661   23.420   0.6661 -0.000000 0.000000 
1 1 1   18    0   17 o   19.950   0.5881   19.950   0.5881   19.950   0.5881 -0.000000 0.000000 
1 1 1   18    0   18 o   13.000   0.8449   13.000   0.8449   13.000   0.8449 0.000000 0.000000 
1 1 1   18    0   19 o   50.410   0.5217   50.410   0.5217   50.410   0.5217 -0.000000 0.000000 
1 1 1   18    0   20 o   1.4560   1.0680   1.4560   1.0680   1.4560   1.0680 -0.000000 0.000000 
1 1 1   18    0   21 o   12.150   1.4140   12.150   1.4140   12.150   1.4140 -0.000000 0.000000 
1 1 1   18    0   22 o   12.910   0.7943   12.910   0.7943   12.910   0.7943 0.000000 0.000000 
1 1 1   18    0   23 o   5.6350   1.9210   5.6350   1.9210   5.6350   1.9210 0.000000 0.000000 
1 1 1   18    0   24 o   10.740   0.9499   10.740   0.9499   10.740   0.9499 0.000000 0.000000 
1 1 1   18    0   25 o   6.2500   1.8500   6.2500   1.8500   6.2500   1.8500 0.000000 0.000000 
1 1 1   18    0   26 o   2.2090   1.4960   2.2090   1.4960   2.2090   1.4960 -0.000000 0.000000 
1 1 1   18    0   27 o   2.3870   1.5900   2.3870   1.5900   2.3870   1.5900 0.000000 0.000000 
1 1 1   18    0   28 o   4.1560   2.1020   4.1560   2.1020   4.1560   2.1020 -0.000000 0.000000 
1 1 1   18    0   29 o   5.8310   2.5490   5.8310   2.5490   5.8310   2.5490 -0.000000 0.000000 
1 1 1   18    0   30 o   5.6790   2.2650   5.6790   2.2650   5.6790   2.2650 -0.000000 0.000000 
1 1 1   18    0   31 o   2.4320   1.6720   2.4320   1.6720   2.4320   1.6720 -0.000000 0.000000 
1 1 1   18    0   32 f   2.3870   1.6570   2.3870   1.6570   2.3870   1.6570 0.000000 0.000000 
1 1 1   18    0   33 o   3.6210   2.3360   3.6210   2.3360   3.6210   2.3360 -0.000000 0.000000 
1 1 1   18    0   34 o   2.3420   1.6250   2.3420   1.6250   2.3420   1.6250 0.000000 0.000000 
1 1 1   18    0   35 o   2.2450   1.5730   2.2450   1.5730   2.2450   1.5730 0.000000 0.000000 
1 1 1   18    2    0 o   64.480   0.5261   65.550   0.6775   63.400   0.8051 2.153000 1.052000 
1 1 1   18    2    1 o   41.120   0.2929   41.870   0.3884   40.370   0.4385 1.505000 0.5858000 
1 1 1   18    2    2 o   28.150   0.2821   28.450   0.3472   27.840   0.4447 0.6113000 0.5642000 
1 1 1   18    2    3 o   51.520   0.3864   51.970   0.5509   51.080   0.5421 0.8844000 0.7729000 
1 1 1   18    2    4 o   43.480   0.2889   43.480   0.4075   43.490   0.4095 -0.1202000E-01 0.5777000 
1 1 1   18    2    5 o   34.050   0.2428   33.810   0.3408   34.290   0.3459 -0.4791000 0.4856000 
1 1 1   18    2    6 o   12.340   0.3231   12.110   0.4653   12.570   0.4485 -0.4626000 0.6463000 
1 1 1   18    2    7 o   10.410   0.5146   10.410   0.7013   10.410   0.7533 0.1605000E-02 1.029000 
1 1 1   18    2    8 o   23.250   0.2755   23.160   0.3757   23.330   0.4031 -0.1611000 0.5511000 
1 1 1   18    2    9 o   57.860   0.3786   57.750   0.5337   57.970   0.5372 -0.2197000 0.7573000 
1 1 1   18    2   10 o   86.540   0.5517   86.390   0.7784   86.700   0.7820 -0.3086000 1.103000 
1 1 1   18    2   11 o   23.890   0.2623   24.310   0.3664   23.480   0.3755 0.8345000 0.5246000 
1 1 1   18    2   12 o   22.220   0.2878   22.420   0.3969   22.030   0.4170 0.3923000 0.5757000 
1 1 1   18    2   13 o   66.110   0.4343   66.210   0.6141   66.000   0.6143 0.2070000 0.8686000 
1 1 1   18    2   14 o   24.460   0.3179   24.750   0.4438   24.170   0.4551 0.5848000 0.6357000 
1 1 1   18    2   15 o   16.820   0.4291   16.370   0.6114   17.260   0.6023 -0.8878000 0.8582000 
1 1 1   18    2   16 o   17.660   0.5578   17.660   0.7753   17.670   0.8021 -0.4723000E-02 1.116000 
1 1 1   18    2   17 o   12.910   0.6856   13.030   0.9858   12.790   0.9530 0.2417000 1.371000 
1 1 1   18    2   18 o   23.510   0.3756   23.890   0.5241   23.140   0.5381 0.7522000 0.7511000 
1 1 1   18    2   19 o   7.4940   1.0490   6.5450   1.6240   8.4430   1.3290 -1.897000 2.099000 
1 1 1   18    2   20 o   4.2970   1.1580   3.4310   1.5200   5.1630   1.7490 -1.733000 2.317000 
1 1 1   18    2   21 o   16.630   0.7343   17.160   0.9891   16.110   1.0860 1.047000 1.469000 
1 1 1   18    2   22 o   13.520   0.5335   13.530   0.7455   13.500   0.7633 0.2946000E-01 1.067000 
1 1 1   18    2   23 o   19.410   0.4014   19.420   0.5645   19.400   0.5709 0.1758000E-01 0.8029000 
1 1 1   18    2   24 o   6.8840   1.0530   8.0970   1.2560   5.6710   1.6910 2.427000 2.107000 
1 1 1   18    2   25 o   6.0750   1.0940   4.9860   1.6390   7.1650   1.4510 -2.179000 2.189000 
1 1 1   18    2   26 f   4.6880   1.1870   4.9730   1.6850   4.4040   1.6730 0.5688000 2.375000 
1 1 1   18    2   27 o   4.5760   1.2120   4.9400   1.7430   4.2120   1.6860 0.7278000 2.425000 
1 1 1   18    2   28 o   4.6300   1.2330   4.8120   1.7320   4.4470   1.7570 0.3648000 2.467000 
1 1 1   18    2   29 o   5.5600   1.4910   5.3110   2.0810   5.8080   2.1360 -0.4976000 2.983000 
1 1 1   18    2   30 o   4.4860   1.2390   3.3850   1.5700   5.5870   1.9160 -2.201000 2.477000 
1 1 1   18    2   31 o   6.5110   1.3450   7.2940   1.8440   5.7280   1.9600 1.566000 2.691000 
1 1 1   18    2   32 o   3.0510   1.0430   2.8780   1.4070   3.2240   1.5410 -0.3466000 2.087000 
1 1 1   18    2   33 o   3.1720   1.1170   3.1700   1.5760   3.1750   1.5840 -0.5209000E-02 2.235000 
1 1 1   18    2   34 f   4.1140   1.2450   4.6820   1.8880   3.5450   1.6250 1.136000 2.491000 
1 1 1   18    2   35 o   2.1640   0.7796   2.3120   1.1690   2.0160   1.0320 0.2959000 1.559000 
1 1 1   18    4    0 o   31.580   0.2579   31.280   0.3510   31.870   0.3778 -0.5869000 0.5157000 
1 1 1   18    4    1 o   36.260   0.2481   36.220   0.3501   36.300   0.3515 -0.7939000E-01 0.4961000 
1 1 1   18    4    2 o   15.780   0.2717   15.640   0.4107   15.920   0.3558 -0.2769000 0.5434000 
1 1 1   18    4    3 o   43.510   0.2903   43.680   0.4112   43.350   0.4099 0.3274000 0.5807000 
1 1 1   18    4    4 o   19.510   0.2131   19.760   0.2975   19.260   0.3052 0.4991000 0.4261000 
1 1 1   18    4    5 o   42.080   0.3285   41.920   0.4629   42.230   0.4662 -0.3165000 0.6570000 
1 1 1   18    4    6 o   54.550   0.4104   54.690   0.5821   54.410   0.5786 0.2849000 0.8207000 
1 1 1   18    4    7 o   3.2740   0.9252   3.2520   1.2850   3.2970   1.3320 -0.4430000E-01 1.850000 
1 1 1   18    4    8 o   9.2220   0.5463   9.3920   0.6988   9.0520   0.8399 0.3397000 1.093000 
1 1 1   18    4    9 o   52.750   0.3516   52.890   0.4975   52.620   0.4970 0.2750000 0.7032000 
1 1 1   18    4   10 o   49.040   0.3342   48.780   0.4700   49.300   0.4752 -0.5276000 0.6683000 
1 1 1   18    4   11 o   22.500   0.2776   22.830   0.3858   22.160   0.3992 0.6654000 0.5552000 
1 1 1   18    4   12 o   20.270   0.3118   20.230   0.4385   20.310   0.4434 -0.8726000E-01 0.6236000 
1 1 1   18    4   13 o   20.720   0.3270   20.320   0.4564   21.110   0.4685 -0.7948000 0.6541000 
1 1 1   18    4   14 o   20.460   0.3585   20.110   0.4993   20.810   0.5145 -0.7009000 0.7170000 
1 1 1   18    4   15 o   49.820   0.4123   50.170   0.5769   49.460   0.5890 0.7104000 0.8245000 
1 1 1   18    4   16 o   44.790   0.4795   45.530   0.6814   44.050   0.6746 1.477000 0.9589000 
1 1 1   18    4   17 o   16.900   0.4949   17.850   0.6514   15.950   0.7451 1.904000 0.9897000 
1 1 1   18    4   18 o   5.4790   1.2510   5.6980   1.7600   5.2600   1.7790 0.4381000 2.502000 
1 1 1   18    4   19 o   17.850   0.4639   18.440   0.6368   17.260   0.6747 1.180000 0.9278000 
1 1 1   18    4   20 o   22.510   0.4510   22.980   0.6546   22.030   0.6206 0.9573000 0.9021000 
1 1 1   18    4   21 o   9.1880   1.3070   9.6330   1.6310   8.7440   2.0430 0.8896000 2.614000 
1 1 1   18    4   22 o   8.2810   0.9095   9.3090   1.0520   7.2520   1.4840 2.057000 1.819000 
1 1 1   18    4   23 o   7.9200   0.9145   7.1760   1.3500   8.6630   1.2340 -1.487000 1.829000 
1 1 1   18    4   24 o   8.8310   0.8176   8.5470   1.1700   9.1160   1.1420 -0.5690000 1.635000 
1 1 1   18    4   25 o   6.7340   1.0490   4.9020   1.6840   8.5660   1.2530 -3.665000 2.099000 
1 1 1   18    4   26 o   5.0580   1.1840   4.2350   1.6590   5.8810   1.6900 -1.647000 2.368000 
1 1 1   18    4   27 o   4.9630   1.2360   4.9560   1.7350   4.9700   1.7610 -0.1365000E-01 2.472000 
1 1 1   18    4   28 o   11.440   0.8067   12.610   0.9399   10.270   1.3110 2.338000 1.613000 
1 1 1   18    4   29 f   5.7050   1.4210   7.2140   2.1270   4.1970   1.8860 3.016000 2.842000 
1 1 1   18    4   30 o   8.0380   1.1970   6.9220   1.8640   9.1550   1.5020 -2.233000 2.394000 
1 1 1   18    4   31 o   3.9340   1.2300   3.8500   1.7160   4.0190   1.7630 -0.1691000 2.461000 
1 1 1   18    4   32 o   3.2860   1.0880   3.9160   1.7290   2.6570   1.3220 1.260000 2.176000 
1 1 1   18    4   33 o   3.6280   1.2310   4.3600   1.9800   2.8950   1.4630 1.465000 2.462000 
1 1 1   18    4   34 o   3.0070   1.0240   3.4860   1.6150   2.5290   1.2600 0.9577000 2.049000 
1 1 1   18    6    0 o   74.520   0.6137   74.400   0.7751   74.630   0.9516 -0.2256000 1.227000 
1 1 1   18    6    1 o   20.900   0.2648   20.980   0.3724   20.810   0.3766 0.1679000 0.5296000 
1 1 1   18    6    2 o   25.990   0.2461   25.950   0.3469   26.040   0.3491 -0.8628000E-01 0.4922000 
1 1 1   18    6    3 o   37.740   0.3033   37.930   0.4306   37.540   0.4272 0.3968000 0.6066000 
1 1 1   18    6    4 o   28.830   0.2640   28.700   0.3721   28.960   0.3746 -0.2584000 0.5280000 
1 1 1   18    6    5 o   22.710   0.2334   22.990   0.3295   22.430   0.3306 0.5606000 0.4667000 
1 1 1   18    6    6 o   65.360   0.4229   65.640   0.5999   65.090   0.5961 0.5484000 0.8457000 
1 1 1   18    6    7 o   48.230   0.3807   48.580   0.5384   47.880   0.5384 0.7071000 0.7614000 
1 1 1   18    6    8 o   39.200   0.3054   38.910   0.4539   39.490   0.4088 -0.5749000 0.6109000 
1 1 1   18    6    9 o   56.120   0.3738   56.400   0.5299   55.840   0.5274 0.5630000 0.7477000 
1 1 1   18    6   10 o   48.950   0.3386   49.490   0.4815   48.410   0.4762 1.078000 0.6772000 
1 1 1   18    6   11 o   24.680   0.2912   24.980   0.4057   24.370   0.4179 0.6120000 0.5824000 
1 1 1   18    6   12 o   28.260   0.2943   27.870   0.4135   28.650   0.4189 -0.7797000 0.5886000 
1 1 1   18    6   13 o   29.730   0.3987   31.330   0.5089   28.130   0.6140 3.196000 0.7974000 
1 1 1   18    6   14 o   4.8310   1.1910   5.5640   1.6930   4.0980   1.6750 1.466000 2.382000 
1 1 1   18    6   15 o   27.280   0.3765   27.710   0.5080   26.850   0.5560 0.8576000 0.7531000 
1 1 1   18    6   16 o   34.030   0.4326   34.900   0.5613   33.150   0.6585 1.756000 0.8653000 
1 1 1   18    6   17 o   30.090   0.3442   30.020   0.4746   30.160   0.4986 -0.1366000 0.6883000 
1 1 1   18    6   18 o   19.920   0.4238   20.260   0.5778   19.590   0.6202 0.6786000 0.8477000 
1 1 1   18    6   19 f   9.8200   0.8154   9.1230   1.1850   10.520   1.1200 -1.395000 1.631000 
1 1 1   18    6   20 o   14.620   0.6350   15.660   0.8481   13.570   0.9453 2.091000 1.270000 
1 1 1   18    6   21 o   14.510   0.6553   15.280   0.7666   13.740   1.0630 1.537000 1.311000 
1 1 1   18    6   22 o   6.8380   1.0810   7.4080   1.3930   6.2680   1.6530 1.140000 2.162000 
1 1 1   18    6   23 o   16.040   0.4705   15.800   0.6429   16.290   0.6871 -0.4823000 0.9410000 
1 1 1   18    6   24 o   19.420   0.4131   19.530   0.5657   19.310   0.6023 0.2268000 0.8263000 
1 1 1   18    6   25 o   2.6650   0.9106   2.5860   1.2540   2.7440   1.3210 -0.1586000 1.821000 
1 1 1   18    6   26 o   5.8910   1.1840   4.9400   1.7340   6.8420   1.6130 -1.902000 2.368000 
1 1 1   18    6   27 o   5.2820   1.2310   4.3980   1.6860   6.1650   1.7950 -1.767000 2.462000 
1 1 1   18    6   28 o   5.2180   1.3710   5.0440   1.9050   5.3920   1.9720 -0.3483000 2.742000 
1 1 1   18    6   29 o   5.1520   1.3610   6.1180   2.0040   4.1870   1.8410 1.932000 2.721000 
1 1 1   18    6   30 o   6.7790   1.2470   8.6220   1.5900   4.9360   1.9210 3.686000 2.494000 
1 1 1   18    6   31 f   4.6320   1.3500   4.2440   1.8500   5.0190   1.9660 -0.7752000 2.700000 
1 1 1   18    6   32 o   3.4040   1.1570   3.6060   1.7040   3.2020   1.5650 0.4041000 2.314000 
1 1 1   18    6   33 o   2.7630   0.9783   3.2100   1.5590   2.3160   1.1830 0.8941000 1.957000 
1 1 1   18    6   34 o   3.3400   1.1090   3.5410   1.6290   3.1380   1.5060 0.4037000 2.218000 
1 1 1   18    8    0 o   73.520   0.4705   73.510   0.6650   73.540   0.6658 -0.3286000E-01 0.9410000 
1 1 1   18    8    1 o   51.470   0.3414   51.870   0.4853   51.080   0.4803 0.7820000 0.6828000 
1 1 1   18    8    2 o   44.780   0.3064   44.750   0.4318   44.820   0.4348 -0.6934000E-01 0.6128000 
1 1 1   18    8    3 o   33.850   0.3709   32.460   0.4793   35.250   0.5662 -2.786000 0.7418000 
1 1 1   18    8    4 o   29.370   0.2717   29.640   0.4126   29.100   0.3535 0.5377000 0.5433000 
1 1 1   18    8    5 o   14.600   0.3803   14.980   0.5109   14.220   0.5636 0.7602000 0.7607000 
1 1 1   18    8    6 o   75.720   0.5636   75.250   0.7915   76.180   0.8026 -0.9294000 1.127000 
1 1 1   18    8    7 o   68.740   0.4840   69.850   0.7402   67.630   0.6239 2.215000 0.9680000 
1 1 1   18    8    8 o   53.020   0.3600   53.220   0.5093   52.820   0.5090 0.4052000 0.7201000 
1 1 1   18    8    9 o   27.090   0.2786   27.310   0.3914   26.860   0.3966 0.4464000 0.5572000 
1 1 1   18    8   10 o   15.410   0.3828   15.410   0.5278   15.420   0.5545 -0.1385000E-01 0.7655000 
1 1 1   18    8   11 f   55.900   0.3827   55.690   0.5377   56.110   0.5449 -0.4249000 0.7655000 
1 1 1   18    8   12 o   31.650   0.3452   31.140   0.4331   32.160   0.5376 -1.020000 0.6904000 
1 1 1   18    8   13 o   11.290   0.7045   11.830   0.8880   10.750   1.0940 1.082000 1.409000 
1 1 1   18    8   14 o   47.330   0.4046   47.000   0.5608   47.650   0.5834 -0.6512000 0.8092000 
1 1 1   18    8   15 o   31.720   0.3991   31.610   0.5643   31.830   0.5645 -0.2197000 0.7982000 
1 1 1   18    8   16 o   22.080   0.4561   21.680   0.6963   22.470   0.5893 -0.7891000 0.9122000 
1 1 1   18    8   17 o   10.750   0.7503   10.580   1.0580   10.930   1.0640 -0.3535000 1.501000 
1 1 1   18    8   18 o   15.790   0.5112   15.810   0.7108   15.780   0.7350 0.2135000E-01 1.022000 
1 1 1   18    8   19 o   13.090   0.6883   13.770   0.9107   12.410   1.0320 1.364000 1.377000 
1 1 1   18    8   20 o   8.6270   1.0810   8.1060   1.4360   9.1480   1.6160 -1.042000 2.162000 
1 1 1   18    8   21 o   7.6790   1.0100   7.8530   1.3400   7.5040   1.5110 0.3493000 2.019000 
1 1 1   18    8   22 o   3.6650   1.1070   3.6990   1.5600   3.6320   1.5720 0.6638000E-01 2.215000 
1 1 1   18    8   23 o   10.610   0.6925   10.310   0.9829   10.910   0.9759 -0.5948000 1.385000 
1 1 1   18    8   24 o   5.2610   1.2130   4.8660   1.6770   5.6550   1.7540 -0.7890000 2.427000 
1 1 1   18    8   25 o   2.5180   0.8708   2.4570   1.2050   2.5780   1.2570 -0.1211000 1.742000 
1 1 1   18    8   26 o   9.1420   0.8919   10.350   1.0060   7.9340   1.4730 2.417000 1.784000 
1 1 1   18    8   27 o   3.2630   1.0680   3.5760   1.5840   2.9500   1.4310 0.6259000 2.135000 
1 1 1   18    8   28 o   6.7080   1.4690   5.8380   2.0210   7.5770   2.1340 -1.739000 2.939000 
1 1 1   18    8   29 o   4.2660   1.2610   3.9630   1.7050   4.5690   1.8570 -0.6057000 2.521000 
1 1 1   18    8   30 o   5.1130   1.3190   5.7260   1.8830   4.5000   1.8470 1.226000 2.637000 
1 1 1   18    8   31 o   3.7630   1.2040   3.6790   1.6780   3.8470   1.7280 -0.1676000 2.408000 
1 1 1   18    8   32 o   4.0030   1.3520   3.8050   1.8260   4.2020   1.9940 -0.3971000 2.704000 
1 1 1   18    8   33 o   3.5310   1.1590   3.8260   1.7350   3.2350   1.5390 0.5910000 2.319000 
1 1 1   18    8   34 o   2.3380   0.8356   2.1180   1.0810   2.5580   1.2740 -0.4397000 1.671000 
1 1 1   18   10    0 f   53.650   0.3567   53.820   0.5058   53.480   0.5032 0.3406000 0.7135000 
1 1 1   18   10    1 o   9.6510   0.5957   11.450   0.7324   7.8530   0.9396 3.596000 1.191000 
1 1 1   18   10    2 o   62.090   0.4064   62.320   0.5760   61.850   0.5735 0.4615000 0.8129000 
1 1 1   18   10    3 o   25.070   0.3100   24.960   0.4295   25.180   0.4472 -0.2197000 0.6200000 
1 1 1   18   10    4 o   32.910   0.3214   33.430   0.4524   32.400   0.4566 1.024000 0.6428000 
1 1 1   18   10    5 o   43.770   0.3149   44.140   0.4452   43.400   0.4455 0.7414000 0.6299000 
1 1 1   18   10    6 o   37.290   0.2927   37.700   0.4123   36.880   0.4157 0.8196000 0.5855000 
1 1 1   18   10    7 o   98.490   0.6285   98.590   0.8893   98.380   0.8882 0.2093000 1.257000 
1 1 1   18   10    8 o   26.930   0.2986   27.330   0.4155   26.520   0.4289 0.8028000 0.5971000 
1 1 1   18   10    9 o   29.750   0.3006   30.010   0.4201   29.490   0.4301 0.5108000 0.6012000 
1 1 1   18   10   10 o   70.990   0.4685   71.220   0.6647   70.750   0.6605 0.4683000 0.9371000 
1 1 1   18   10   11 o   57.560   0.4537   57.600   0.6378   57.510   0.6455 0.8902000E-01 0.9075000 
1 1 1   18   10   12 o   32.790   0.4184   32.340   0.5014   33.240   0.6700 -0.9086000 0.8369000 
1 1 1   18   10   13 o   14.310   0.6128   14.530   0.7605   14.090   0.9610 0.4347000 1.226000 
1 1 1   18   10   14 o   44.640   0.4623   45.680   0.6006   43.600   0.7031 2.086000 0.9247000 
1 1 1   18   10   15 o   21.780   0.5151   21.990   0.7392   21.570   0.7177 0.4183000 1.030000 
1 1 1   18   10   16 o   47.120   0.3671   47.260   0.5211   46.990   0.5173 0.2702000 0.7342000 
1 1 1   18   10   17 o   21.230   0.4155   21.390   0.5736   21.060   0.6014 0.3333000 0.8310000 
1 1 1   18   10   18 o   14.050   0.9563   11.440   1.7370   16.650   0.8007 -5.207000 1.913000 
1 1 1   18   10   19 f   19.050   0.5257   20.380   0.6270   17.730   0.8439 2.645000 1.051000 
1 1 1   18   10   20 o   5.0850   1.2790   3.8620   1.6360   6.3080   1.9660 -2.446000 2.558000 
1 1 1   18   10   21 o   7.8550   0.9764   9.1150   1.1020   6.5960   1.6120 2.519000 1.953000 
1 1 1   18   10   22 o   12.160   0.6272   11.570   0.8844   12.750   0.8896 -1.181000 1.254000 
1 1 1   18   10   23 o   10.610   0.7120   9.6170   1.0660   11.590   0.9441 -1.977000 1.424000 
1 1 1   18   10   24 o   6.3690   1.1430   5.3350   1.6770   7.4030   1.5530 -2.069000 2.286000 
1 1 1   18   10   25 o   4.3980   1.1650   5.2910   1.7230   3.5040   1.5680 1.787000 2.330000 
1 1 1   18   10   26 o   9.9540   0.8626   9.7720   1.2070   10.140   1.2320 -0.3632000 1.725000 
1 1 1   18   10   27 f   8.4360   1.1510   8.9770   1.3970   7.8940   1.8300 1.082000 2.303000 
1 1 1   18   10   28 o   5.0690   1.3800   4.3680   1.8600   5.7700   2.0400 -1.402000 2.761000 
1 1 1   18   10   29 o   5.4470   1.3260   6.6340   1.9340   4.2590   1.8150 2.375000 2.652000 
1 1 1   18   10   30 o   5.4970   1.2060   3.2800   1.5460   7.7130   1.8520 -4.433000 2.412000 
1 1 1   18   10   31 o   4.0290   1.2800   4.8100   2.0070   3.2480   1.5880 1.562000 2.559000 
1 1 1   18   10   32 o   2.8350   1.0010   3.0180   1.4900   2.6530   1.3360 0.3650000 2.001000 
1 1 1   18   10   33 o   2.2260   0.7995   2.3200   1.1720   2.1320   1.0880 0.1885000 1.599000 
1 1 1   18   12    0 o   44.470   0.3686   44.760   0.5216   44.190   0.5210 0.5718000 0.7372000 
1 1 1   18   12    1 o   87.620   0.6479   88.900   0.9286   86.340   0.9038 2.555000 1.296000 
1 1 1   18   12    2 f   9.0260   0.6825   8.2420   0.9608   9.8100   0.9696 -1.568000 1.365000 
1 1 1   18   12    3 o   24.210   0.2995   24.430   0.4131   24.000   0.4338 0.4269000 0.5990000 
1 1 1   18   12    4 o   63.270   0.4202   64.380   0.6012   62.160   0.5873 2.220000 0.8404000 
1 1 1   18   12    5 o   59.040   0.4299   59.550   0.6510   58.530   0.5617 1.014000 0.8598000 
1 1 1   18   12    6 o   41.420   0.3232   41.930   0.4586   40.910   0.4554 1.021000 0.6463000 
1 1 1   18   12    7 o   75.000   0.4915   75.690   0.7005   74.320   0.6897 1.372000 0.9831000 
1 1 1   18   12    8 o   74.420   0.4894   75.030   0.6964   73.810   0.6879 1.222000 0.9789000 
1 1 1   18   12    9 o   22.080   0.4130   23.050   0.5481   21.100   0.6180 1.946000 0.8260000 
1 1 1   18   12   10 o   48.050   0.4104   48.280   0.5739   47.820   0.5869 0.4545000 0.8208000 
1 1 1   18   12   11 f   26.340   0.3744   25.840   0.5178   26.830   0.5408 -0.9850000 0.7487000 
1 1 1   18   12   12 o   42.830   0.3535   42.730   0.4968   42.930   0.5029 -0.2009000 0.7070000 
1 1 1   18   12   13 o   11.170   0.9775   12.840   1.1990   9.5080   1.5440 3.332000 1.955000 
1 1 1   18   12   14 o   4.4670   1.3100   5.2210   2.0020   3.7140   1.6920 1.507000 2.621000 
1 1 1   18   12   15 o   13.550   0.6126   14.010   0.8299   13.090   0.9012 0.9207000 1.225000 
1 1 1   18   12   16 o   9.3650   0.9928   9.7810   1.3200   8.9500   1.4830 0.8312000 1.986000 
1 1 1   18   12   17 o   9.6150   0.9499   8.3600   1.5170   10.870   1.1440 -2.510000 1.900000 
1 1 1   18   12   18 o   4.6930   1.0690   2.8200   1.3490   6.5660   1.6580 -3.746000 2.138000 
1 1 1   18   12   19 o   11.250   0.8331   12.000   0.9915   10.510   1.3390 1.495000 1.666000 
1 1 1   18   12   20 o   8.6350   0.9044   9.6020   1.0840   7.6670   1.4480 1.935000 1.809000 
1 1 1   18   12   21 o   5.4540   1.2050   5.6480   1.6630   5.2590   1.7440 0.3894000 2.410000 
1 1 1   18   12   22 o   6.3300   1.1530   6.5370   1.5470   6.1230   1.7090 0.4141000 2.305000 
1 1 1   18   12   23 o   8.9870   0.8787   8.2900   1.3080   9.6830   1.1740 -1.392000 1.757000 
1 1 1   18   12   24 o   4.4110   1.2170   4.3780   1.6920   4.4450   1.7490 -0.6765000E-01 2.434000 
1 1 1   18   12   25 o   10.470   0.8055   11.030   1.0360   9.9000   1.2340 1.132000 1.611000 
1 1 1   18   12   26 o   3.7160   1.1560   4.5700   1.8120   2.8630   1.4370 1.708000 2.313000 
1 1 1   18   12   27 o   6.2510   1.4230   6.0150   1.9640   6.4870   2.0590 -0.4721000 2.846000 
1 1 1   18   12   28 o   4.1830   1.2660   4.1280   1.7630   4.2380   1.8180 -0.1101000 2.532000 
1 1 1   18   12   29 o   2.7650   0.9658   2.5180   1.2570   3.0130   1.4660 -0.4944000 1.932000 
1 1 1   18   12   30 o   4.1900   1.3300   3.8550   1.7770   4.5260   1.9810 -0.6707000 2.661000 
1 1 1   18   12   31 o   3.5130   1.1810   2.9040   1.4380   4.1210   1.8740 -1.217000 2.362000 
1 1 1   18   12   32 o   3.3750   1.1160   3.6310   1.6580   3.1200   1.4940 0.5104000 2.232000 
1 1 1   18   14    0 o   16.240   0.4238   16.120   0.5983   16.360   0.6004 -0.2371000 0.8476000 
1 1 1   18   14    1 o   25.190   0.3199   25.550   0.4487   24.830   0.4560 0.7169000 0.6398000 
1 1 1   18   14    2 o   29.400   0.3153   29.420   0.4403   29.380   0.4515 0.3886000E-01 0.6307000 
1 1 1   18   14    3 o   64.570   0.4323   64.710   0.6103   64.430   0.6124 0.2787000 0.8646000 
1 1 1   18   14    4 f   33.050   0.3215   33.320   0.4458   32.770   0.4633 0.5538000 0.6429000 
1 1 1   18   14    5 o   27.850   0.3824   28.730   0.5239   26.970   0.5571 1.765000 0.7648000 
1 1 1   18   14    6 o   35.620   0.3738   35.210   0.5161   36.040   0.5409 -0.8306000 0.7476000 
1 1 1   18   14    7 o   49.010   0.4167   48.800   0.5842   49.220   0.5944 -0.4153000 0.8335000 
1 1 1   18   14    8 o   28.280   0.3656   27.950   0.5137   28.610   0.5203 -0.6589000 0.7312000 
1 1 1   18   14    9 o   13.160   0.6487   12.500   0.9276   13.810   0.9072 -1.310000 1.297000 
1 1 1   18   14   10 o   13.520   0.6570   13.360   0.9028   13.680   0.9549 -0.3205000 1.314000 
1 1 1   18   14   11 o   38.770   0.4306   38.890   0.6130   38.650   0.6050 0.2445000 0.8612000 
1 1 1   18   14   12 o   30.000   0.4523   30.500   0.6372   29.500   0.6422 1.000000 0.9047000 
1 1 1   18   14   13 o   5.6910   1.1400   3.6450   1.6100   7.7360   1.6140 -4.092000 2.280000 
1 1 1   18   14   14 o   9.4250   1.0320   9.4250   1.4600   9.4250   1.4570 -0.2594000E-03 2.063000 
1 1 1   18   14   15 o   21.540   0.4705   21.390   0.6745   21.680   0.6561 -0.2910000 0.9410000 
1 1 1   18   14   16 o   24.520   0.3759   25.490   0.5116   23.560   0.5508 1.929000 0.7518000 
1 1 1   18   14   17 f   10.370   0.9143   11.180   1.0730   9.5570   1.4810 1.619000 1.829000 
1 1 1   18   14   18 o   5.6300   1.3300   5.3510   1.7860   5.9080   1.9710 -0.5575000 2.660000 
1 1 1   18   14   19 o   6.2280   1.1810   6.0020   1.6680   6.4550   1.6720 -0.4529000 2.362000 
1 1 1   18   14   20 o   14.950   0.5314   15.330   0.7059   14.580   0.7944 0.7546000 1.063000 
1 1 1   18   14   21 o   8.9410   0.8548   8.9250   1.1740   8.9580   1.2420 -0.3305000E-01 1.710000 
1 1 1   18   14   22 o   5.4810   1.2100   6.1980   1.6650   4.7640   1.7560 1.433000 2.420000 
1 1 1   18   14   23 o   9.2390   0.9446   11.440   0.9929   7.0360   1.6070 4.405000 1.889000 
1 1 1   18   14   24 o   14.210   0.6483   14.090   0.9049   14.330   0.9287 -0.2388000 1.297000 
1 1 1   18   14   25 o   15.600   0.6241   15.050   0.8965   16.150   0.8685 -1.102000 1.248000 
1 1 1   18   14   26 o   5.6370   1.4190   4.8690   1.9640   6.4050   2.0470 -1.536000 2.837000 
1 1 1   18   14   27 o   8.9650   1.0940   8.9940   1.5400   8.9370   1.5540 0.5624000E-01 2.188000 
1 1 1   18   14   28 o   3.1170   1.0560   3.1290   1.4960   3.1050   1.4920 0.2462000E-01 2.113000 
1 1 1   18   14   29 o   4.4080   1.3530   4.8940   2.0210   3.9210   1.8000 0.9728000 2.706000 
1 1 1   18   14   30 o   4.0200   1.2810   3.8280   1.7200   4.2130   1.8990 -0.3859000 2.562000 
1 1 1   18   14   31 f   3.4600   1.1580   3.6250   1.6910   3.2950   1.5830 0.3298000 2.317000 
1 1 1   18   14   32 o   1.9710   0.7202   2.0250   1.0430   1.9180   0.9935 0.1074000 1.440000 
1 1 1   18   16    0 o   27.980   0.5702   28.310   0.9869   27.660   0.5714 0.6560000 1.140000 
1 1 1   18   16    1 o   31.250   0.3955   31.000   0.5669   31.510   0.5518 -0.5067000 0.7911000 
1 1 1   18   16    2 o   67.870   0.5273   67.480   0.7411   68.270   0.7504 -0.7885000 1.055000 
1 1 1   18   16    3 o   64.330   0.4395   64.360   0.6196   64.300   0.6236 0.6169000E-01 0.8790000 
1 1 1   18   16    4 o   37.600   0.3448   37.710   0.4805   37.490   0.4947 0.2170000 0.6896000 
1 1 1   18   16    5 o   44.640   0.3610   45.200   0.5066   44.080   0.5144 1.118000 0.7220000 
1 1 1   18   16    6 o   46.990   0.3697   47.180   0.5174   46.790   0.5282 0.3833000 0.7394000 
1 1 1   18   16    7 o   12.780   0.7027   12.860   0.9458   12.710   1.0390 0.1556000 1.405000 
1 1 1   18   16    8 o   28.320   0.3776   28.160   0.5218   28.480   0.5460 -0.3179000 0.7553000 
1 1 1   18   16    9 o   29.790   0.4584   29.880   0.6495   29.690   0.6471 0.1913000 0.9169000 
1 1 1   18   16   10 o   30.110   0.4532   29.840   0.6453   30.370   0.6365 -0.5308000 0.9064000 
1 1 1   18   16   11 o   29.650   0.3747   29.940   0.5208   29.370   0.5388 0.5686000 0.7494000 
1 1 1   18   16   12 o   35.110   0.4111   34.910   0.5788   35.310   0.5838 -0.4061000 0.8221000 
1 1 1   18   16   13 o   20.360   0.5093   20.550   0.7048   20.160   0.7353 0.3894000 1.019000 
1 1 1   18   16   14 o   5.2810   1.2580   5.1290   1.7380   5.4340   1.8190 -0.3048000 2.516000 
1 1 1   18   16   15 o   9.3770   0.8547   9.9580   1.0630   8.7950   1.3390 1.164000 1.709000 
1 1 1   18   16   16 o   13.070   0.7391   14.280   0.8833   11.860   1.1850 2.419000 1.478000 
1 1 1   18   16   17 o   5.8650   1.2350   6.0200   1.7110   5.7100   1.7810 0.3100000 2.470000 
1 1 1   18   16   18 o   17.640   0.4654   17.470   0.6521   17.800   0.6641 -0.3395000 0.9307000 
1 1 1   18   16   19 f   9.0760   0.8821   8.3300   1.3240   9.8220   1.1660 -1.492000 1.764000 
1 1 1   18   16   20 o   3.8550   1.1540   3.8050   1.6000   3.9050   1.6640 -0.1006000 2.308000 
1 1 1   18   16   21 o   5.6540   1.2100   6.6410   1.6400   4.6670   1.7800 1.974000 2.420000 
1 1 1   18   16   22 o   9.6560   0.8722   9.8000   1.1850   9.5120   1.2800 0.2875000 1.744000 
1 1 1   18   16   23 o   6.2060   1.2950   6.9900   1.7450   5.4220   1.9150 1.568000 2.591000 
1 1 1   18   16   24 o   7.7320   1.1460   9.5910   1.2950   5.8740   1.8920 3.718000 2.292000 
1 1 1   18   16   25 o   8.7690   1.2790   8.6880   1.7870   8.8510   1.8310 -0.1628000 2.558000 
1 1 1   18   16   26 o   6.0960   1.2320   7.9870   1.6500   4.2050   1.8310 3.783000 2.464000 
1 1 1   18   16   27 o   4.1500   1.1850   2.5790   1.2890   5.7220   1.9890 -3.143000 2.370000 
1 1 1   18   16   28 o   4.8510   1.3940   3.9580   1.8100   5.7440   2.1200 -1.786000 2.787000 
1 1 1   18   16   29 o   3.0410   1.0330   3.1520   1.4940   2.9310   1.4280 0.2208000 2.067000 
1 1 1   18   16   30 o   3.6670   1.2060   3.4570   1.6340   3.8770   1.7740 -0.4199000 2.412000 
1 1 1   18   16   31 o   1.6500   0.6079   1.6500   0.8585   1.6510   0.8610 -0.1092000E-02 1.216000 
1 1 1   18   18    0 o   31.800   0.3535   31.780   0.4996   31.820   0.5003 -0.3421000E-01 0.7071000 
1 1 1   18   18    1 o   49.460   0.4036   49.950   0.6113   48.960   0.5271 0.9969000 0.8072000 
1 1 1   18   18    2 o   71.190   0.6198   71.640   0.9647   70.740   0.7784 0.9038000 1.240000 
1 1 1   18   18    3 o   36.930   0.4367   37.210   0.7103   36.640   0.5085 0.5747000 0.8735000 
1 1 1   18   18    4 f   31.180   0.4535   31.090   0.7358   31.260   0.5303 -0.1766000 0.9070000 
1 1 1   18   18    5 o   44.710   0.4488   45.360   0.7282   44.050   0.5247 1.314000 0.8975000 
1 1 1   18   18    6 o   13.480   0.9129   14.090   1.3260   12.870   1.2550 1.216000 1.826000 
1 1 1   18   18    7 o   57.560   0.5372   57.700   0.8265   57.410   0.6865 0.2908000 1.074000 
1 1 1   18   18    8 o   13.750   1.2000   12.750   2.1700   14.750   1.0270 -2.000000 2.401000 
1 1 1   18   18    9 o   36.100   0.5877   37.110   1.0170   35.090   0.5895 2.016000 1.175000 
1 1 1   18   18   10 o   11.300   1.6620   9.1860   3.1460   13.410   1.0750 -4.225000 3.324000 
1 1 1   18   18   11 o   29.910   0.4792   29.880   0.7945   29.950   0.5362 -0.7856000E-01 0.9585000 
1 1 1   18   18   12 f   10.970   0.9280   10.270   1.5280   11.670   1.0530 -1.405000 1.856000 
1 1 1   18   18   13 o   13.720   0.6198   13.100   0.9023   14.350   0.8499 -1.251000 1.240000 
1 1 1   18   18   14 o   14.630   0.6836   14.830   0.8994   14.430   1.0300 0.4024000 1.367000 
1 1 1   18   18   15 o   17.310   0.5810   16.590   0.8098   18.030   0.8334 -1.440000 1.162000 
1 1 1   18   18   16 o   8.9420   0.9425   7.5250   1.5110   10.360   1.1270 -2.835000 1.885000 
1 1 1   18   18   17 o   11.410   0.7250   12.260   0.9060   10.550   1.1320 1.712000 1.450000 
1 1 1   18   18   18 o   4.8030   1.2360   4.3610   1.6910   5.2440   1.8020 -0.8833000 2.472000 
1 1 1   18   18   19 o   5.6270   1.2210   6.6500   1.6720   4.6050   1.7790 2.044000 2.442000 
1 1 1   18   18   20 o   3.9450   1.1770   4.3720   1.7340   3.5180   1.5920 0.8545000 2.354000 
1 1 1   18   18   21 o   4.1630   1.2530   4.2900   1.7710   4.0360   1.7720 0.2540000 2.506000 
1 1 1   18   18   22 o   5.2960   1.3620   4.9740   1.8590   5.6180   1.9920 -0.6437000 2.725000 
1 1 1   18   18   23 o   3.7070   1.1630   3.6290   1.6160   3.7860   1.6740 -0.1566000 2.326000 
1 1 1   18   18   24 o   4.1830   1.2990   4.3940   1.8920   3.9730   1.7820 0.4206000 2.599000 
1 1 1   18   18   25 o   5.1060   1.3420   5.8320   1.9400   4.3810   1.8540 1.451000 2.683000 
1 1 1   18   18   26 o   3.7010   1.1890   3.5470   1.6380   3.8540   1.7240 -0.3075000 2.378000 
1 1 1   18   18   27 o   4.8260   1.4190   4.3540   1.9100   5.2990   2.0980 -0.9452000 2.837000 
1 1 1   18   18   28 o   3.0780   1.0450   3.3340   1.5630   2.8230   1.3870 0.5119000 2.090000 
1 1 1   18   18   29 o   3.2010   1.0910   2.4900   1.2560   3.9110   1.7840 -1.422000 2.181000 
1 1 1   18   20    0 o   27.380   0.5282   27.030   0.7594   27.720   0.7343 -0.6868000 1.056000 
1 1 1   18   20    1 o   15.990   0.7849   16.040   1.1150   15.940   1.1060 0.1010000 1.570000 
1 1 1   18   20    2 o   8.4220   1.4370   7.0610   2.2050   9.7820   1.8420 -2.721000 2.873000 
1 1 1   18   20    3 o   44.630   0.5183   45.190   0.7358   44.060   0.7301 1.131000 1.037000 
1 1 1   18   20    4 o   40.350   0.4624   40.250   0.7234   40.440   0.5761 -0.1884000 0.9248000 
1 1 1   18   20    5 o   49.750   0.4353   49.560   0.6111   49.930   0.6200 -0.3707000 0.8705000 
1 1 1   18   20    6 f   35.630   0.3519   35.780   0.4829   35.480   0.5120 0.2995000 0.7039000 
1 1 1   18   20    7 o   4.7080   1.2280   5.4580   1.7740   3.9590   1.6980 1.500000 2.456000 
1 1 1   18   20    8 o   23.000   0.4068   22.840   0.5517   23.150   0.5979 -0.3069000 0.8136000 
1 1 1   18   20    9 o   17.510   0.4919   18.120   0.6315   16.900   0.7543 1.223000 0.9837000 
1 1 1   18   20   10 o   24.930   0.3816   24.910   0.5196   24.950   0.5590 -0.4275000E-01 0.7632000 
1 1 1   18   20   11 o   5.7210   1.3130   6.2580   1.8770   5.1840   1.8370 1.073000 2.626000 
1 1 1   18   20   12 o   13.080   0.7604   13.830   0.9591   12.340   1.1800 1.491000 1.521000 
1 1 1   18   20   13 o   16.870   0.5929   16.140   0.8357   17.610   0.8414 -1.469000 1.186000 
1 1 1   18   20   14 o   9.1860   0.9792   8.9230   1.4900   9.4490   1.2710 -0.5253000 1.958000 
1 1 1   18   20   15 f   3.6130   1.2000   4.1120   1.9040   3.1140   1.4620 0.9977000 2.400000 
1 1 1   18   20   16 o   7.0790   1.4020   8.2080   2.1640   5.9510   1.7840 2.257000 2.805000 
1 1 1   18   20   17 o   14.280   0.7833   14.740   1.2960   13.820   0.8795 0.9230000 1.567000 
1 1 1   18   20   18 f   15.060   0.7761   15.360   1.2850   14.760   0.8709 0.6072000 1.552000 
1 1 1   18   20   19 o   18.140   0.8470   18.000   1.4790   18.270   0.8261 -0.2668000 1.694000 
1 1 1   18   20   20 o   4.5190   1.4480   5.6310   2.4140   3.4060   1.6000 2.224000 2.896000 
1 1 1   18   20   21 o   4.2820   1.2930   3.7770   1.8000   4.7880   1.8550 -1.011000 2.585000 
1 1 1   18   20   22 o   3.9500   1.2840   3.5790   1.7280   4.3200   1.9000 -0.7416000 2.568000 
1 1 1   18   20   23 o   3.9550   1.2960   4.7640   2.0870   3.1460   1.5390 1.618000 2.593000 
1 1 1   18   20   24 o   3.4800   1.1900   3.7810   1.8160   3.1780   1.5370 0.6031000 2.379000 
1 1 1   18   20   25 o   4.3580   1.4430   4.3420   2.1270   4.3750   1.9500 -0.3260000E-01 2.886000 
1 1 1   18   20   26 o   4.1350   1.2620   3.1100   1.5580   5.1610   1.9870 -2.051000 2.525000 
1 1 1   18   20   27 o   3.2580   1.1190   2.7600   1.3960   3.7560   1.7490 -0.9950000 2.238000 
1 1 1   18   20   28 o   2.4190   0.8698   2.3200   1.1890   2.5170   1.2700 -0.1972000 1.740000 
1 1 1   18   22    0 o   17.090   0.4801   16.070   0.7148   18.110   0.6412 -2.042000 0.9602000 
1 1 1   18   22    1 o   23.820   0.3830   23.910   0.5367   23.730   0.5465 0.1725000 0.7660000 
1 1 1   18   22    2 o   29.000   0.3819   29.040   0.4888   28.970   0.5870 0.7670000E-01 0.7638000 
1 1 1   18   22    3 o   12.100   0.6924   12.470   0.8919   11.740   1.0590 0.7308000 1.385000 
1 1 1   18   22    4 o   3.9960   1.1820   4.2880   1.7000   3.7040   1.6420 0.5838000 2.363000 
1 1 1   18   22    5 o   8.6970   0.9675   7.3180   1.5080   10.080   1.2130 -2.758000 1.935000 
1 1 1   18   22    6 o   25.340   0.3788   24.860   0.5210   25.820   0.5500 -0.9590000 0.7576000 
1 1 1   18   22    7 o   16.870   0.5083   16.850   0.6810   16.880   0.7549 -0.3093000E-01 1.017000 
1 1 1   18   22    8 o   3.9140   1.2160   3.7790   1.6580   4.0500   1.7780 -0.2717000 2.431000 
1 1 1   18   22    9 o   8.6020   1.1250   8.9600   1.3680   8.2440   1.7870 0.7161000 2.250000 
1 1 1   18   22   10 o   5.0460   1.3320   4.9820   1.8120   5.1100   1.9540 -0.1288000 2.665000 
1 1 1   18   22   11 o   5.5670   1.2720   5.1080   1.7400   6.0260   1.8570 -0.9184000 2.545000 
1 1 1   18   22   12 o   14.970   0.5640   14.530   0.7801   15.400   0.8149 -0.8640000 1.128000 
1 1 1   18   22   13 o   25.160   0.4045   25.740   0.5537   24.580   0.5898 1.154000 0.8090000 
1 1 1   18   22   14 o   11.660   0.7485   12.570   0.9363   10.760   1.1680 1.809000 1.497000 
1 1 1   18   22   15 o   6.5400   1.2690   6.3970   1.7740   6.6820   1.8160 -0.2854000 2.538000 
1 1 1   18   22   16 o   4.4890   1.2680   4.0660   1.7070   4.9110   1.8760 -0.8455000 2.536000 
1 1 1   18   22   17 o   8.2810   1.2230   7.0620   1.8860   9.5000   1.5580 -2.438000 2.446000 
1 1 1   18   22   18 o   8.1970   1.2670   8.0340   1.7680   8.3600   1.8160 -0.3262000 2.535000 
1 1 1   18   22   19 o   13.740   0.6998   13.900   0.9685   13.580   1.0100 0.3187000 1.400000 
1 1 1   18   22   20 o   4.7520   1.3230   5.3020   1.9230   4.2020   1.8160 1.101000 2.645000 
1 1 1   18   22   21 o   6.2570   1.5230   6.6910   2.1510   5.8230   2.1580 0.8676000 3.046000 
1 1 1   18   22   22 o   3.2160   1.0770   3.6460   1.6590   2.7870   1.3740 0.8593000 2.154000 
1 1 1   18   22   23 o   4.4400   1.2910   6.0210   2.1530   2.8580   1.4250 3.163000 2.582000 
1 1 1   18   22   24 o   3.1350   1.0850   2.9680   1.4660   3.3010   1.6000 -0.3330000 2.170000 
1 1 1   18   22   25 o   3.2450   1.0900   2.6490   1.3150   3.8400   1.7380 -1.191000 2.179000 
1 1 1   18   22   26 o   2.7150   0.9593   2.8150   1.3980   2.6150   1.3150 0.1998000 1.919000 
1 1 1   18   24    0 o   9.7880   0.8063   9.3500   1.1770   10.230   1.1020 -0.8754000 1.613000 
1 1 1   18   24    1 o   20.280   0.4236   19.990   0.6017   20.560   0.5963 -0.5650000 0.8471000 
1 1 1   18   24    2 o   7.2040   1.1930   8.3310   1.3700   6.0760   1.9530 2.254000 2.386000 
1 1 1   18   24    3 o   14.730   0.6653   14.610   0.8678   14.840   1.0090 -0.2314000 1.331000 
1 1 1   18   24    4 o   10.520   0.9423   10.840   1.1780   10.200   1.4710 0.6438000 1.885000 
1 1 1   18   24    5 o   24.390   0.4542   24.480   0.5907   24.310   0.6902 0.1627000 0.9085000 
1 1 1   18   24    6 o   5.9920   1.3470   5.5840   1.8060   6.4010   1.9990 -0.8165000 2.694000 
1 1 1   18   24    7 o   14.180   0.5930   14.190   0.7842   14.170   0.8896 0.2542000E-01 1.186000 
1 1 1   18   24    8 o   12.260   0.7007   11.160   1.0180   13.350   0.9635 -2.195000 1.401000 
1 1 1   18   24    9 o   3.6440   1.1410   3.8190   1.6360   3.4680   1.5900 0.3511000 2.281000 
1 1 1   18   24   10 o   5.8330   1.1940   7.2420   1.5800   4.4240   1.7920 2.818000 2.389000 
1 1 1   18   24   11 o   7.4590   1.1580   7.2930   1.5800   7.6240   1.6920 -0.3306000 2.315000 
1 1 1   18   24   12 o   8.4050   1.0760   8.6080   1.3930   8.2010   1.6400 0.4069000 2.152000 
1 1 1   18   24   13 o   4.6990   1.3130   4.7470   1.8660   4.6510   1.8470 0.9601000E-01 2.625000 
1 1 1   18   24   14 f   5.5190   1.3630   4.6720   1.8780   6.3660   1.9770 -1.694000 2.726000 
1 1 1   18   24   15 o   5.0860   1.3660   5.7340   1.9800   4.4390   1.8810 1.296000 2.731000 
1 1 1   18   24   16 o   3.7680   1.1870   3.3490   1.5690   4.1880   1.7810 -0.8390000 2.374000 
1 1 1   18   24   17 f   4.2840   1.2670   4.8790   1.9040   3.6900   1.6720 1.189000 2.534000 
1 1 1   18   24   18 o   4.6400   1.2590   5.8860   1.9370   3.3940   1.6090 2.492000 2.519000 
1 1 1   18   24   19 o   4.3190   1.3470   3.9760   1.8170   4.6630   1.9890 -0.6870000 2.694000 
1 1 1   18   24   20 o   4.5670   1.3280   4.5910   1.8700   4.5420   1.8860 0.4934000E-01 2.656000 
1 1 1   18   24   21 o   4.1530   1.3130   4.3970   1.9160   3.9100   1.7960 0.4874000 2.626000 
1 1 1   18   24   22 o   3.4190   1.1560   3.0530   1.5000   3.7860   1.7600 -0.7333000 2.312000 
1 1 1   18   24   23 o   2.4890   0.8823   2.4800   1.2440   2.4990   1.2510 -0.1855000E-01 1.765000 
1 1 1   18   24   24 o   2.6020   0.9264   2.5850   1.3020   2.6180   1.3190 -0.3361000E-01 1.853000 
1 1 1   18   26    0 o   11.580   0.7125   11.130   1.0320   12.030   0.9822 -0.9033000 1.425000 
1 1 1   18   26    1 o   18.150   0.4788   18.210   0.6572   18.090   0.6966 0.1193000 0.9577000 
1 1 1   18   26    2 o   21.040   0.4797   21.520   0.5859   20.560   0.7598 0.9621000 0.9595000 
1 1 1   18   26    3 o   19.610   0.4743   19.630   0.6318   19.590   0.7077 0.3447000E-01 0.9487000 
1 1 1   18   26    4 o   10.250   0.8757   11.200   1.0320   9.3010   1.4150 1.901000 1.751000 
1 1 1   18   26    5 o   4.9620   1.2990   4.9700   1.7900   4.9550   1.8820 0.1507000E-01 2.597000 
1 1 1   18   26    6 o   6.7820   1.2270   7.8250   1.5240   5.7400   1.9230 2.086000 2.454000 
1 1 1   18   26    7 o   3.9060   1.1900   4.0030   1.6880   3.8080   1.6780 0.1955000 2.380000 
1 1 1   18   26    8 o   4.5970   1.2740   4.6910   1.7760   4.5030   1.8270 0.1878000 2.548000 
1 1 1   18   26    9 o   7.9930   1.2450   9.3690   1.4860   6.6160   1.9970 2.753000 2.490000 
1 1 1   18   26   10 o   4.9740   1.3740   4.5680   1.8770   5.3800   2.0080 -0.8111000 2.748000 
1 1 1   18   26   11 o   4.0640   1.2460   4.7210   1.9050   3.4070   1.6070 1.314000 2.493000 
1 1 1   18   26   12 o   12.540   0.7465   13.780   0.9313   11.300   1.1670 2.478000 1.493000 
1 1 1   18   26   13 o   10.560   0.9315   12.110   1.0620   9.0010   1.5310 3.111000 1.863000 
1 1 1   18   26   14 o   16.390   0.6056   17.400   0.7762   15.380   0.9298 2.022000 1.211000 
1 1 1   18   26   15 o   3.0730   1.0460   3.1260   1.4890   3.0210   1.4690 0.1043000 2.091000 
1 1 1   18   26   16 o   5.1870   1.4350   6.0830   2.1340   4.2910   1.9200 1.793000 2.871000 
1 1 1   18   26   17 o   4.9980   1.4900   4.7950   2.1230   5.2020   2.0910 -0.4069000 2.980000 
1 1 1   18   26   18 o   4.0040   1.2950   3.7980   1.7680   4.2100   1.8910 -0.4127000 2.589000 
1 1 1   18   26   19 o   3.6220   1.2070   3.1260   1.5330   4.1180   1.8650 -0.9923000 2.414000 
1 1 1   18   26   20 o   2.6330   0.9267   2.6770   1.3280   2.5880   1.2930 0.8939000E-01 1.853000 
1 1 1   18   26   21 o   2.5870   0.9125   2.7720   1.3650   2.4010   1.2120 0.3701000 1.825000 
1 1 1   18   26   22 o   2.5630   0.9126   2.6320   1.3190   2.4950   1.2620 0.1370000 1.825000 
1 1 1   18   28    0 o   11.630   0.8658   10.980   1.3210   12.290   1.1190 -1.317000 1.732000 
1 1 1   18   28    1 o   18.170   0.5921   18.140   0.8406   18.200   0.8341 -0.5706000E-01 1.184000 
1 1 1   18   28    2 o   17.040   0.6540   16.410   0.9333   17.660   0.9164 -1.257000 1.308000 
1 1 1   18   28    3 o   6.3180   1.4550   6.0750   2.0200   6.5600   2.0940 -0.4857000 2.909000 
1 1 1   18   28    4 o   4.0620   1.2710   3.5580   1.6520   4.5650   1.9310 -1.007000 2.542000 
1 1 1   18   28    5 o   6.4070   1.4350   6.0320   1.9890   6.7810   2.0690 -0.7492000 2.870000 
1 1 1   18   28    6 o   7.4040   1.2520   7.6390   1.6600   7.1690   1.8750 0.4697000 2.504000 
1 1 1   18   28    7 o   4.3930   1.2030   5.6550   1.8810   3.1300   1.5010 2.525000 2.406000 
1 1 1   18   28    8 o   5.8650   1.3430   6.0360   1.8610   5.6930   1.9360 0.3436000 2.685000 
1 1 1   18   28    9 o   5.0900   1.3300   4.5400   1.8210   5.6400   1.9380 -1.101000 2.659000 
1 1 1   18   28   10 o   4.8350   1.2740   3.6190   1.6400   6.0510   1.9510 -2.432000 2.549000 
1 1 1   18   28   11 o   3.9990   1.2290   3.3690   1.5730   4.6300   1.8880 -1.261000 2.457000 
1 1 1   18   28   12 o   13.970   0.7263   14.780   0.9254   13.170   1.1200 1.611000 1.453000 
1 1 1   18   28   13 o   6.6150   1.5470   6.8290   2.1460   6.4020   2.2270 0.4264000 3.093000 
1 1 1   18   28   14 o   4.1990   1.3390   3.6510   1.7260   4.7470   2.0490 -1.097000 2.679000 
1 1 1   18   28   15 o   3.3050   1.1310   3.5410   1.6830   3.0690   1.5110 0.4721000 2.262000 
1 1 1   18   28   16 o   4.6260   1.3740   5.4940   2.1110   3.7570   1.7600 1.737000 2.748000 
1 1 1   18   28   17 o   4.3990   1.3010   4.6650   1.8770   4.1320   1.8010 0.5332000 2.601000 
1 1 1   18   28   18 o   3.1880   1.0730   3.1290   1.4920   3.2480   1.5420 -0.1198000 2.145000 
1 1 1   18   28   19 o   2.5900   0.9186   2.9500   1.4470   2.2290   1.1330 0.7208000 1.837000 
1 1 1   18   30    0 o   7.8560   1.1700   8.1280   1.5820   7.5840   1.7250 0.5434000 2.341000 
1 1 1   18   30    1 o   9.0100   1.0520   9.2190   1.4280   8.8010   1.5450 0.4183000 2.104000 
1 1 1   18   30    2 f   10.940   0.8821   11.110   1.2130   10.770   1.2810 0.3365000 1.764000 
1 1 1   18   30    3 o   9.7110   1.0000   9.6890   1.3840   9.7330   1.4440 -0.4412000E-01 2.000000 
1 1 1   18   30    4 o   4.1230   1.2410   4.6700   1.8590   3.5750   1.6450 1.095000 2.482000 
1 1 1   18   30    5 o   6.7710   1.3130   7.7360   1.7340   5.8060   1.9730 1.931000 2.626000 
1 1 1   18   30    6 o   3.0320   1.0330   2.9580   1.4290   3.1060   1.4910 -0.1479000 2.065000 
1 1 1   18   30    7 o   6.7180   1.3690   6.3980   1.9250   7.0370   1.9450 -0.6387000 2.737000 
1 1 1   18   30    8 o   3.9510   1.2210   4.5930   1.8690   3.3100   1.5720 1.283000 2.442000 
1 1 1   18   30    9 o   3.6070   1.2030   3.4770   1.6520   3.7370   1.7490 -0.2602000 2.405000 
1 1 1   18   30   10 o   3.4880   1.2090   2.9810   1.5010   3.9950   1.8960 -1.014000 2.419000 
1 1 1   18   30   11 o   8.8600   1.5240   8.3400   2.3830   9.3800   1.9000 -1.039000 3.047000 
1 1 1   18   30   12 o   5.4830   1.4400   6.2840   2.0990   4.6810   1.9720 1.604000 2.880000 
1 1 1   18   30   13 o   3.7820   1.1890   4.1250   1.7610   3.4380   1.5990 0.6871000 2.378000 
1 1 1   18   30   14 o   3.5000   1.1400   3.1820   1.5100   3.8180   1.7090 -0.6363000 2.280000 
1 1 1   18   30   15 o   2.5960   0.9125   2.0950   1.0670   3.0970   1.4800 -1.002000 1.825000 
1 1 1   18   30   16 o   2.3010   0.8226   2.1120   1.0750   2.4900   1.2460 -0.3775000 1.645000 
1 1 1   18   32    0 o   5.6430   1.5500   6.4760   2.2800   4.8100   2.1000 1.666000 3.099000 
1 1 1   18   32    1 o   6.8910   1.4340   9.4130   2.0660   4.3700   1.9890 5.044000 2.868000 
1 1 1   18   32    2 o   4.7650   1.4850   4.9160   2.1260   4.6130   2.0740 0.3033000 2.970000 
1 1 1   18   32    3 o   3.4660   1.2260   3.0290   1.5170   3.9030   1.9270 -0.8746000 2.452000 
1 1 1   18   32    4 o   4.6350   1.4690   5.4990   2.2620   3.7720   1.8730 1.727000 2.937000 
1 1 1   18   32    5 o   3.6050   1.2600   3.5120   1.7190   3.6980   1.8430 -0.1858000 2.520000 
1 1 1   18   32    6 o   3.4490   1.1370   3.9920   1.7400   2.9070   1.4650 1.086000 2.275000 
1 1 1   18   32    7 f   3.4020   1.1610   2.9990   1.4440   3.8040   1.8190 -0.8049000 2.323000 
1 1 1   18   32    8 o   2.8900   1.0140   2.7960   1.3690   2.9830   1.4950 -0.1870000 2.027000 
1 1 1   18   32    9 o   3.4680   1.1640   3.4300   1.5870   3.5060   1.7050 -0.7607000E-01 2.329000 
1 1 1   18   32   10 o   2.6240   0.9296   2.7390   1.3470   2.5100   1.2820 0.2286000 1.859000 
1 1 1   18   32   11 o   2.7670   0.9733   2.7420   1.3430   2.7930   1.4090 -0.5048000E-01 1.947000 
1 1 1   18   34    0 o   2.7370   0.9449   2.2940   1.1540   3.1800   1.4960 -0.8860000 1.890000 
1 1 1   18   34    1 o   2.1510   0.7787   1.8760   0.9626   2.4250   1.2240 -0.5487000 1.557000 
1 1 1   18   34    2 o   2.2630   0.8074   2.4020   1.2010   2.1230   1.0800 0.2785000 1.615000 
1 1 1   18   34    3 f   2.8580   1.0120   2.7710   1.3950   2.9460   1.4670 -0.1752000 2.024000 
1 1 1   19    1    0 o   51.470   0.3800   51.740   0.5406   51.200   0.5342 0.5489000 0.7600000 
1 1 1   19    1    1 o   62.550   0.4589   63.040   0.6542   62.070   0.6436 0.9680000 0.9177000 
1 1 1   19    1    2 o   34.600   0.2751   34.930   0.3929   34.260   0.3852 0.6754000 0.5502000 
1 1 1   19    1    3 o   22.390   0.1979   22.310   0.2822   22.470   0.2776 -0.1606000 0.3958000 
1 1 1   19    1    4 o   12.580   0.2537   12.260   0.3644   12.890   0.3531 -0.6292000 0.5074000 
1 1 1   19    1    5 o   16.600   0.2293   16.760   0.3210   16.440   0.3274 0.3257000 0.4585000 
1 1 1   19    1    6 o   16.070   0.2415   15.850   0.3442   16.290   0.3387 -0.4443000 0.4829000 
1 1 1   19    1    7 o   33.330   0.3544   32.820   0.4916   33.830   0.5105 -1.017000 0.7087000 
1 1 1   19    1    8 f   14.180   0.3522   14.530   0.4615   13.840   0.5321 0.6861000 0.7044000 
1 1 1   19    1    9 o   19.650   0.2549   19.900   0.3601   19.410   0.3609 0.4967000 0.5099000 
1 1 1   19    1   10 o   31.360   0.2583   31.080   0.3597   31.640   0.3707 -0.5667000 0.5166000 
1 1 1   19    1   11 o   18.420   0.3244   17.700   0.5001   19.150   0.4133 -1.451000 0.6487000 
1 1 1   19    1   12 o   67.460   0.4403   67.240   0.6205   67.680   0.6249 -0.4440000 0.8807000 
1 1 1   19    1   13 o   28.250   0.3205   28.180   0.4884   28.320   0.4152 -0.1366000 0.6410000 
1 1 1   19    1   14 o   41.200   0.3399   41.660   0.4513   40.730   0.5084 0.9370000 0.6798000 
1 1 1   19    1   15 o   12.880   0.5464   12.810   0.7677   12.950   0.7776 -0.1379000 1.093000 
1 1 1   19    1   16 o   28.200   0.4458   28.380   0.6316   28.020   0.6293 0.3633000 0.8916000 
1 1 1   19    1   17 o   23.400   0.3753   23.910   0.5179   22.890   0.5433 1.016000 0.7506000 
1 1 1   19    1   18 o   35.790   0.3354   35.480   0.4724   36.100   0.4763 -0.6201000 0.6708000 
1 1 1   19    1   19 o   8.3180   0.9435   8.4380   1.3320   8.1980   1.3370 0.2397000 1.887000 
1 1 1   19    1   20 o   22.960   0.3749   22.640   0.5341   23.270   0.5261 -0.6248000 0.7497000 
1 1 1   19    1   21 o   4.7960   1.4020   4.2750   1.8820   5.3170   2.0800 -1.042000 2.805000 
1 1 1   19    1   22 o   11.440   0.6281   10.710   0.9591   12.160   0.8113 -1.446000 1.256000 
1 1 1   19    1   23 o   16.950   0.4424   16.600   0.6327   17.300   0.6184 -0.6956000 0.8848000 
1 1 1   19    1   24 o   15.610   0.4770   15.350   0.6724   15.880   0.6767 -0.5337000 0.9540000 
1 1 1   19    1   25 o   6.7740   1.0680   7.2100   1.4090   6.3380   1.6060 0.8718000 2.137000 
1 1 1   19    1   26 o   4.5490   1.0700   5.9060   1.5820   3.1920   1.4410 2.713000 2.140000 
1 1 1   19    1   27 o   8.2990   0.9575   6.8990   1.5260   9.6980   1.1570 -2.799000 1.915000 
1 1 1   19    1   28 o   3.2620   1.0580   3.3170   1.5060   3.2080   1.4860 0.1096000 2.116000 
1 1 1   19    1   29 o   3.7360   1.2350   3.9020   1.7950   3.5690   1.6960 0.3322000 2.469000 
1 1 1   19    1   30 o   2.7470   0.9525   3.0400   1.4540   2.4540   1.2310 0.5859000 1.905000 
1 1 1   19    1   31 o   4.2870   1.2450   5.3250   1.9550   3.2480   1.5420 2.076000 2.490000 
1 1 1   19    1   32 o   4.0850   1.2540   3.5320   1.6370   4.6390   1.9010 -1.107000 2.509000 
1 1 1   19    1   33 o   3.7330   1.2670   3.6720   1.7780   3.7930   1.8070 -0.1211000 2.535000 
1 1 1   19    1   34 o   2.7590   0.9593   2.8510   1.3900   2.6670   1.3220 0.1843000 1.919000 
1 1 1   19    3    0 o   37.440   0.2497   37.150   0.3507   37.720   0.3557 -0.5740000 0.4995000 
1 1 1   19    3    1 o   30.080   0.2442   30.000   0.3452   30.160   0.3454 -0.1644000 0.4883000 
1 1 1   19    3    2 o   14.320   0.2581   13.850   0.3742   14.790   0.3555 -0.9463000 0.5161000 
1 1 1   19    3    3 o   19.320   0.2030   19.620   0.2853   19.010   0.2888 0.6134000 0.4060000 
1 1 1   19    3    4 o   49.640   0.3251   49.690   0.4594   49.590   0.4600 0.9966000E-01 0.6501000 
1 1 1   19    3    5 f   33.910   0.2475   34.050   0.3493   33.770   0.3507 0.2807000 0.4950000 
1 1 1   19    3    6 o   20.870   0.2537   20.710   0.3602   21.030   0.3575 -0.3144000 0.5075000 
1 1 1   19    3    7 o   31.310   0.2868   31.310   0.3968   31.300   0.4143 0.7147000E-02 0.5736000 
1 1 1   19    3    8 o   12.340   0.4129   12.590   0.5319   12.090   0.6317 0.4935000 0.8258000 
1 1 1   19    3    9 o   13.990   0.3645   13.660   0.4497   14.320   0.5737 -0.6612000 0.7290000 
1 1 1   19    3   10 o   19.350   0.2996   19.040   0.4495   19.660   0.3962 -0.6255000 0.5992000 
1 1 1   19    3   11 o   18.340   0.3096   18.690   0.4221   18.000   0.4532 0.6853000 0.6193000 
1 1 1   19    3   12 o   49.050   0.3718   48.580   0.4773   49.530   0.5701 -0.9513000 0.7436000 
1 1 1   19    3   13 o   22.760   0.3148   23.550   0.4295   21.970   0.4603 1.584000 0.6296000 
1 1 1   19    3   14 o   59.530   0.4031   59.610   0.5695   59.460   0.5706 0.1499000 0.8062000 
1 1 1   19    3   15 o   29.290   0.3624   29.140   0.4907   29.440   0.5334 -0.2948000 0.7247000 
1 1 1   19    3   16 o   35.030   0.4464   34.400   0.6240   35.660   0.6385 -1.262000 0.8928000 
1 1 1   19    3   17 o   22.520   0.3839   22.250   0.5397   22.790   0.5461 -0.5400000 0.7678000 
1 1 1   19    3   18 o   14.230   0.5652   14.870   0.7515   13.590   0.8444 1.283000 1.130000 
1 1 1   19    3   19 o   20.490   0.3966   20.270   0.5549   20.710   0.5667 -0.4357000 0.7931000 
1 1 1   19    3   20 o   3.3460   1.1010   3.5450   1.6310   3.1470   1.4790 0.3972000 2.202000 
1 1 1   19    3   21 o   3.5930   1.1950   3.6710   1.7100   3.5140   1.6700 0.1574000 2.391000 
1 1 1   19    3   22 o   4.5490   1.1510   5.3230   1.6680   3.7750   1.5870 1.548000 2.303000 
1 1 1   19    3   23 o   3.7670   1.0910   3.0840   1.4120   4.4510   1.6640 -1.367000 2.183000 
1 1 1   19    3   24 o   4.4320   1.1050   3.2500   1.4470   5.6140   1.6710 -2.364000 2.210000 
1 1 1   19    3   25 o   5.0050   1.1140   6.3320   1.5730   3.6780   1.5790 2.655000 2.229000 
1 1 1   19    3   26 o   10.240   0.7348   9.0080   1.1250   11.470   0.9460 -2.466000 1.470000 
1 1 1   19    3   27 o   4.1940   1.1780   4.4520   1.6710   3.9360   1.6600 0.5153000 2.355000 
1 1 1   19    3   28 o   4.0640   1.2220   3.9940   1.6890   4.1340   1.7650 -0.1395000 2.443000 
1 1 1   19    3   29 f   3.0480   1.0580   3.0590   1.5040   3.0360   1.4890 0.2313000E-01 2.117000 
1 1 1   19    3   30 o   3.5370   1.1490   3.5270   1.6190   3.5480   1.6310 -0.2133000E-01 2.298000 
1 1 1   19    3   31 o   3.5830   1.1560   3.0120   1.4620   4.1530   1.7900 -1.141000 2.312000 
1 1 1   19    3   32 o   5.7140   1.3480   4.5510   1.8410   6.8780   1.9690 -2.327000 2.696000 
1 1 1   19    3   33 o   3.6850   1.2540   3.1200   1.5530   4.2500   1.9710 -1.129000 2.509000 
1 1 1   19    3   34 o   3.0990   1.0470   2.7850   1.3690   3.4130   1.5850 -0.6272000 2.094000 
1 1 1   19    5    0 o   31.390   0.2560   31.550   0.3631   31.230   0.3608 0.3209000 0.5119000 
1 1 1   19    5    1 o   18.300   0.2554   18.130   0.3581   18.470   0.3643 -0.3421000 0.5109000 
1 1 1   19    5    2 o   28.610   0.2690   28.540   0.3784   28.670   0.3824 -0.1243000 0.5380000 
1 1 1   19    5    3 f   53.420   0.4004   53.750   0.5696   53.090   0.5630 0.6600000 0.8009000 
1 1 1   19    5    4 o   8.3710   0.4286   7.6710   0.6461   9.0710   0.5632 -1.399000 0.8571000 
1 1 1   19    5    5 o   35.740   0.2945   35.760   0.4156   35.730   0.4173 0.3017000E-01 0.5889000 
1 1 1   19    5    6 o   4.9920   0.7580   5.1680   1.0170   4.8170   1.1240 0.3507000 1.516000 
1 1 1   19    5    7 o   25.470   0.2878   25.650   0.3914   25.290   0.4219 0.3583000 0.5755000 
1 1 1   19    5    8 o   11.180   0.3936   11.600   0.5263   10.760   0.5855 0.8366000 0.7873000 
1 1 1   19    5    9 o   47.150   0.3252   47.190   0.4597   47.110   0.4602 0.8065000E-01 0.6505000 
1 1 1   19    5   10 f   29.950   0.2692   29.970   0.3771   29.940   0.3842 0.2693000E-01 0.5384000 
1 1 1   19    5   11 o   33.070   0.3041   33.150   0.3992   32.980   0.4590 0.1683000 0.6083000 
1 1 1   19    5   12 o   32.470   0.2909   32.770   0.4092   32.170   0.4135 0.6016000 0.5817000 
1 1 1   19    5   13 o   9.8070   0.6501   9.8150   0.9031   9.7980   0.9353 0.1711000E-01 1.300000 
1 1 1   19    5   14 o   22.420   0.3565   22.120   0.5021   22.720   0.5062 -0.6014000 0.7130000 
1 1 1   19    5   15 o   27.080   0.4514   28.170   0.4998   25.990   0.7518 2.180000 0.9028000 
1 1 1   19    5   16 o   21.960   0.4580   21.500   0.6487   22.420   0.6467 -0.9232000 0.9160000 
1 1 1   19    5   17 o   25.050   0.4198   24.810   0.5145   25.290   0.6635 -0.4873000 0.8396000 
1 1 1   19    5   18 o   12.370   0.6382   11.610   0.9330   13.130   0.8711 -1.525000 1.276000 
1 1 1   19    5   19 o   8.8410   0.8855   9.5080   1.1150   8.1740   1.3760 1.333000 1.771000 
1 1 1   19    5   20 o   13.270   0.7054   12.690   1.0640   13.850   0.9265 -1.155000 1.411000 
1 1 1   19    5   21 o   14.370   0.6657   15.890   0.7731   12.860   1.0840 3.032000 1.331000 
1 1 1   19    5   22 o   11.700   0.6310   11.230   0.9008   12.160   0.8838 -0.9229000 1.262000 
1 1 1   19    5   23 o   6.4720   1.1140   6.5700   1.5040   6.3730   1.6440 0.1971000 2.228000 
1 1 1   19    5   24 o   5.3860   1.1760   5.4820   1.6120   5.2900   1.7110 0.1921000 2.351000 
1 1 1   19    5   25 o   14.920   0.5114   15.400   0.6773   14.450   0.7664 0.9412000 1.023000 
1 1 1   19    5   26 o   8.7910   0.9089   9.3180   1.1710   8.2640   1.3900 1.054000 1.818000 
1 1 1   19    5   27 o   6.4520   1.2060   6.4830   1.6540   6.4220   1.7560 0.6043000E-01 2.413000 
1 1 1   19    5   28 o   9.5220   1.0290   9.4810   1.4280   9.5630   1.4830 -0.8243000E-01 2.059000 
1 1 1   19    5   29 o   4.3460   1.2970   5.0720   1.9900   3.6190   1.6640 1.453000 2.594000 
1 1 1   19    5   30 o   4.4590   1.2740   5.2510   1.9200   3.6670   1.6740 1.583000 2.547000 
1 1 1   19    5   31 o   3.4710   1.1340   4.0910   1.7830   2.8510   1.4020 1.241000 2.268000 
1 1 1   19    5   32 o   2.8120   0.9935   2.6920   1.3530   2.9320   1.4560 -0.2408000 1.987000 
1 1 1   19    5   33 o   2.8950   1.0170   3.0130   1.4840   2.7770   1.3920 0.2364000 2.034000 
1 1 1   19    5   34 o   2.4090   0.8601   2.1000   1.0720   2.7190   1.3460 -0.6188000 1.720000 
1 1 1   19    7    0 o   46.250   0.4377   46.770   0.6252   45.720   0.6127 1.053000 0.8754000 
1 1 1   19    7    1 o   33.220   0.2801   33.010   0.3926   33.440   0.3995 -0.4279000 0.5601000 
1 1 1   19    7    2 o   19.570   0.2344   19.560   0.3257   19.580   0.3373 -0.1380000E-01 0.4689000 
1 1 1   19    7    3 f   31.320   0.2457   31.340   0.3472   31.300   0.3477 0.3503000E-01 0.4913000 
1 1 1   19    7    4 o   32.630   0.2536   33.070   0.3597   32.180   0.3576 0.8905000 0.5072000 
1 1 1   19    7    5 o   33.310   0.2856   33.400   0.3702   33.230   0.4350 0.1790000 0.5712000 
1 1 1   19    7    6 o   40.150   0.3755   40.140   0.4767   40.160   0.5804 -0.2541000E-01 0.7511000 
1 1 1   19    7    7 o   64.130   0.4845   64.000   0.6821   64.250   0.6881 -0.2498000 0.9689000 
1 1 1   19    7    8 o   63.880   0.4181   64.060   0.5919   63.690   0.5907 0.3735000 0.8362000 
1 1 1   19    7    9 o   77.870   0.5020   77.910   0.7096   77.840   0.7102 0.7301000E-01 1.004000 
1 1 1   19    7   10 f   53.880   0.3681   54.200   0.5219   53.570   0.5194 0.6297000 0.7363000 
1 1 1   19    7   11 o   66.230   0.4370   66.420   0.6194   66.040   0.6167 0.3784000 0.8740000 
1 1 1   19    7   12 o   9.5260   0.7102   10.660   0.8402   8.3970   1.1450 2.259000 1.420000 
1 1 1   19    7   13 o   14.950   0.5237   15.040   0.7064   14.860   0.7733 0.1783000 1.047000 
1 1 1   19    7   14 o   30.520   0.3633   30.900   0.4944   30.140   0.5326 0.7619000 0.7267000 
1 1 1   19    7   15 f   16.190   0.6069   15.310   0.9035   17.070   0.8107 -1.756000 1.214000 
1 1 1   19    7   16 f   27.780   0.4265   27.840   0.6101   27.710   0.5962 0.1335000 0.8531000 
1 1 1   19    7   17 o   15.060   0.5417   14.180   0.7781   15.940   0.7540 -1.761000 1.083000 
1 1 1   19    7   18 o   7.6300   1.0740   7.8740   1.4090   7.3870   1.6210 0.4875000 2.148000 
1 1 1   19    7   19 o   12.080   0.7722   12.470   1.0420   11.680   1.1390 0.7934000 1.544000 
1 1 1   19    7   20 f   21.680   0.4721   21.520   0.6029   21.830   0.7266 -0.3036000 0.9442000 
1 1 1   19    7   21 o   6.8210   1.2370   7.6350   1.4990   6.0080   1.9680 1.627000 2.474000 
1 1 1   19    7   22 o   13.160   0.5709   13.340   0.7683   12.980   0.8447 0.3569000 1.142000 
1 1 1   19    7   23 o   4.1760   1.1680   4.4890   1.6630   3.8630   1.6410 0.6257000 2.336000 
1 1 1   19    7   24 o   13.370   0.5809   12.890   0.8233   13.860   0.8199 -0.9733000 1.162000 
1 1 1   19    7   25 o   4.5720   1.2230   4.5510   1.7070   4.5930   1.7530 -0.4196000E-01 2.447000 
1 1 1   19    7   26 o   6.6910   1.1590   7.1880   1.5060   6.1950   1.7630 0.9929000 2.318000 
1 1 1   19    7   27 o   4.3450   1.2380   5.0470   1.8380   3.6430   1.6600 1.405000 2.477000 
1 1 1   19    7   28 o   3.5340   1.1830   3.0000   1.4770   4.0680   1.8480 -1.069000 2.366000 
1 1 1   19    7   29 o   5.8340   1.3140   6.9740   1.8160   4.6930   1.8980 2.281000 2.627000 
1 1 1   19    7   30 o   5.9060   1.3560   5.2530   1.9140   6.5590   1.9210 -1.306000 2.712000 
1 1 1   19    7   31 o   3.3890   1.1300   3.3440   1.5790   3.4340   1.6170 -0.8972000E-01 2.260000 
1 1 1   19    7   32 o   3.8710   1.3030   3.7840   1.7950   3.9580   1.8900 -0.1742000 2.607000 
1 1 1   19    7   33 o   2.7270   0.9569   2.6240   1.3090   2.8310   1.3960 -0.2069000 1.914000 
1 1 1   19    7   34 f   2.5530   0.9024   2.5770   1.2870   2.5290   1.2650 0.4880000E-01 1.805000 
1 1 1   19    9    0 o   42.530   0.3231   43.140   0.4947   41.930   0.4157 1.204000 0.6462000 
1 1 1   19    9    1 o   11.020   0.4034   11.200   0.5651   10.840   0.5758 0.3590000 0.8067000 
1 1 1   19    9    2 o   40.720   0.2923   41.100   0.4136   40.340   0.4133 0.7572000 0.5847000 
1 1 1   19    9    3 o   55.720   0.3696   56.190   0.5253   55.250   0.5202 0.9416000 0.7393000 
1 1 1   19    9    4 o   66.310   0.4990   67.210   0.7138   65.410   0.6976 1.804000 0.9981000 
1 1 1   19    9    5 o   20.910   0.3323   20.960   0.4571   20.870   0.4825 0.9683000E-01 0.6647000 
1 1 1   19    9    6 o   54.490   0.3677   54.850   0.5222   54.140   0.5178 0.7081000 0.7354000 
1 1 1   19    9    7 o   85.040   0.5454   85.150   0.7717   84.930   0.7708 0.2222000 1.091000 
1 1 1   19    9    8 o   13.170   0.4385   13.110   0.6064   13.230   0.6335 -0.1208000 0.8769000 
1 1 1   19    9    9 o   48.090   0.4490   50.090   0.5659   46.080   0.6974 4.013000 0.8981000 
1 1 1   19    9   10 o   69.090   0.4556   69.390   0.6462   68.800   0.6424 0.5857000 0.9112000 
1 1 1   19    9   11 o   40.000   0.3528   39.690   0.5336   40.320   0.4616 -0.6298000 0.7055000 
1 1 1   19    9   12 o   19.100   0.4451   19.980   0.5757   18.220   0.6789 1.756000 0.8901000 
1 1 1   19    9   13 o   38.650   0.3702   38.670   0.5146   38.630   0.5323 0.4460000E-01 0.7404000 
1 1 1   19    9   14 o   60.520   0.4188   60.270   0.5883   60.770   0.5961 -0.5059000 0.8375000 
1 1 1   19    9   15 o   20.630   0.5115   20.440   0.7374   20.820   0.7090 -0.3789000 1.023000 
1 1 1   19    9   16 o   20.260   0.4324   20.500   0.5953   20.020   0.6273 0.4795000 0.8648000 
1 1 1   19    9   17 o   8.8370   0.9372   9.5410   1.1730   8.1330   1.4620 1.408000 1.874000 
1 1 1   19    9   18 o   22.220   0.4604   22.320   0.6498   22.120   0.6525 0.2095000 0.9209000 
1 1 1   19    9   19 o   21.680   0.4043   21.550   0.5524   21.820   0.5906 -0.2749000 0.8087000 
1 1 1   19    9   20 o   24.700   0.4303   24.980   0.5522   24.420   0.6601 0.5639000 0.8607000 
1 1 1   19    9   21 o   7.8470   0.9756   8.6570   1.1770   7.0370   1.5560 1.620000 1.951000 
1 1 1   19    9   22 o   9.2150   0.8134   9.8920   1.0120   8.5380   1.2740 1.355000 1.627000 
1 1 1   19    9   23 o   10.610   0.7128   10.750   0.9490   10.470   1.0640 0.2808000 1.426000 
1 1 1   19    9   24 o   8.8360   0.8724   8.4430   1.2560   9.2290   1.2110 -0.7858000 1.745000 
1 1 1   19    9   25 o   4.2850   1.1760   4.8890   1.7220   3.6820   1.6000 1.206000 2.351000 
1 1 1   19    9   26 o   5.9210   1.2230   5.0850   1.7320   6.7570   1.7260 -1.672000 2.445000 
1 1 1   19    9   27 o   3.3290   1.0980   3.4880   1.5850   3.1690   1.5200 0.3191000 2.196000 
1 1 1   19    9   28 o   4.2460   1.2930   4.3080   1.8340   4.1830   1.8230 0.1252000 2.586000 
1 1 1   19    9   29 o   4.7320   1.2620   3.5350   1.6220   5.9300   1.9330 -2.394000 2.524000 
1 1 1   19    9   30 o   4.3720   1.2660   5.1680   1.9180   3.5770   1.6530 1.591000 2.532000 
1 1 1   19    9   31 o   2.6010   0.9270   2.6420   1.3270   2.5590   1.2940 0.8240000E-01 1.854000 
1 1 1   19    9   32 o   2.9360   1.0290   2.9630   1.4640   2.9100   1.4450 0.5276000E-01 2.057000 
1 1 1   19    9   33 o   2.2550   0.8099   2.2470   1.1420   2.2630   1.1490 -0.1664000E-01 1.620000 
1 1 1   19   11    0 o   43.990   0.3119   43.920   0.4400   44.060   0.4421 -0.1337000 0.6237000 
1 1 1   19   11    1 o   66.840   0.5614   67.160   0.7140   66.530   0.8665 0.6304000 1.123000 
1 1 1   19   11    2 o   24.810   0.3266   25.490   0.4504   24.130   0.4732 1.360000 0.6532000 
1 1 1   19   11    3 o   15.350   0.4374   16.270   0.5698   14.420   0.6637 1.852000 0.8747000 
1 1 1   19   11    4 o   39.630   0.3031   39.670   0.4249   39.590   0.4325 0.7898000E-01 0.6063000 
1 1 1   19   11    5 o   48.170   0.3724   49.340   0.5723   47.000   0.4766 2.348000 0.7447000 
1 1 1   19   11    6 o   51.560   0.3932   52.800   0.6057   50.320   0.5015 2.481000 0.7864000 
1 1 1   19   11    7 o   99.030   0.6328   99.400   0.8979   98.650   0.8918 0.7424000 1.266000 
1 1 1   19   11    8 o   73.170   0.4797   73.560   0.6816   72.780   0.6753 0.7766000 0.9595000 
1 1 1   19   11    9 o   76.520   0.5012   76.540   0.7090   76.490   0.7085 0.5425000E-01 1.002000 
1 1 1   19   11   10 o   91.530   0.6800   91.640   0.9615   91.420   0.9619 0.2207000 1.360000 
1 1 1   19   11   11 o   72.150   0.6164   73.180   0.7851   71.130   0.9505 2.054000 1.233000 
1 1 1   19   11   12 o   42.440   0.3498   42.450   0.4917   42.430   0.4977 0.1749000E-01 0.6996000 
1 1 1   19   11   13 o   20.560   0.4250   20.020   0.5932   21.110   0.6087 -1.088000 0.8500000 
1 1 1   19   11   14 o   38.000   0.4128   37.850   0.5897   38.140   0.5779 -0.2965000 0.8257000 
1 1 1   19   11   15 o   12.380   0.6791   13.390   0.8811   11.360   1.0340 2.022000 1.358000 
1 1 1   19   11   16 o   13.810   0.5944   14.190   0.8186   13.430   0.8622 0.7579000 1.189000 
1 1 1   19   11   17 o   5.8850   1.3280   5.7890   1.8790   5.9800   1.8770 -0.1906000 2.656000 
1 1 1   19   11   18 o   31.380   0.3437   31.770   0.4802   30.980   0.4918 0.7865000 0.6874000 
1 1 1   19   11   19 o   14.050   0.6613   14.030   0.8259   14.070   1.0330 -0.4165000E-01 1.323000 
1 1 1   19   11   20 o   12.350   0.6163   12.560   0.8106   12.150   0.9285 0.4029000 1.233000 
1 1 1   19   11   21 o   5.1420   1.2030   4.4570   1.6500   5.8280   1.7500 -1.370000 2.405000 
1 1 1   19   11   22 o   10.320   0.7420   10.230   1.0220   10.410   1.0760 -0.1807000 1.484000 
1 1 1   19   11   23 o   17.610   0.4717   18.670   0.6021   16.550   0.7262 2.121000 0.9434000 
1 1 1   19   11   24 o   3.3480   1.0730   3.2280   1.4740   3.4690   1.5610 -0.2406000 2.147000 
1 1 1   19   11   25 o   5.5270   1.2670   5.6580   1.7670   5.3960   1.8170 0.2616000 2.535000 
1 1 1   19   11   26 o   7.9050   1.1930   8.5830   1.4860   7.2260   1.8660 1.357000 2.385000 
1 1 1   19   11   27 o   5.8090   1.4150   5.9070   1.9590   5.7110   2.0420 0.1957000 2.830000 
1 1 1   19   11   28 o   5.7360   1.3020   7.0680   1.8270   4.4040   1.8550 2.665000 2.603000 
1 1 1   19   11   29 o   5.5080   1.3830   5.7280   1.9530   5.2870   1.9600 0.4409000 2.767000 
1 1 1   19   11   30 o   3.3670   1.1470   3.4030   1.6280   3.3310   1.6160 0.7262000E-01 2.293000 
1 1 1   19   11   31 o   4.0990   1.3550   4.5710   2.0470   3.6270   1.7760 0.9444000 2.710000 
1 1 1   19   11   32 o   4.0890   1.2380   2.7200   1.3630   5.4570   2.0670 -2.738000 2.476000 
1 1 1   19   11   33 o   2.8650   0.9994   3.1400   1.5000   2.5900   1.3210 0.5503000 1.999000 
1 1 1   19   13    0 o   27.390   0.2961   27.650   0.4164   27.120   0.4212 0.5331000 0.5923000 
1 1 1   19   13    1 f   61.870   0.4117   62.340   0.5861   61.400   0.5784 0.9360000 0.8235000 
1 1 1   19   13    2 o   41.210   0.3165   41.350   0.4468   41.080   0.4485 0.2708000 0.6331000 
1 1 1   19   13    3 o   29.110   0.3037   28.890   0.4218   29.330   0.4370 -0.4361000 0.6074000 
1 1 1   19   13    4 o   27.090   0.3415   26.520   0.4358   27.660   0.5260 -1.140000 0.6831000 
1 1 1   19   13    5 o   42.140   0.3298   42.360   0.4624   41.920   0.4704 0.4452000 0.6596000 
1 1 1   19   13    6 o   14.570   0.5086   14.030   0.7263   15.120   0.7120 -1.097000 1.017000 
1 1 1   19   13    7 o   73.220   0.6248   72.550   0.7792   73.890   0.9769 -1.343000 1.250000 
1 1 1   19   13    8 o   36.740   0.3730   36.700   0.5192   36.780   0.5356 -0.8392000E-01 0.7460000 
1 1 1   19   13    9 o   23.600   0.3924   23.440   0.5414   23.760   0.5681 -0.3178000 0.7848000 
1 1 1   19   13   10 o   33.640   0.3483   33.280   0.4838   34.000   0.5012 -0.7252000 0.6966000 
1 1 1   19   13   11 o   31.520   0.4436   32.430   0.4910   30.620   0.7389 1.815000 0.8871000 
1 1 1   19   13   12 o   13.310   0.8037   12.620   1.2110   14.000   1.0570 -1.374000 1.607000 
1 1 1   19   13   13 o   28.310   0.4529   27.680   0.6614   28.940   0.6190 -1.264000 0.9059000 
1 1 1   19   13   14 o   12.600   0.6889   13.590   0.8790   11.610   1.0610 1.986000 1.378000 
1 1 1   19   13   15 o   28.490   0.4138   28.800   0.5871   28.170   0.5833 0.6281000 0.8276000 
1 1 1   19   13   16 o   25.110   0.4302   25.420   0.6112   24.800   0.6055 0.6193000 0.8604000 
1 1 1   19   13   17 o   10.830   0.7335   10.550   1.0520   11.110   1.0220 -0.5598000 1.467000 
1 1 1   19   13   18 o   15.790   0.6196   16.840   0.7380   14.740   0.9956 2.105000 1.239000 
1 1 1   19   13   19 o   11.850   0.6521   11.790   0.9187   11.910   0.9259 -0.1211000 1.304000 
1 1 1   19   13   20 o   5.7780   1.0760   3.8500   1.6050   7.7050   1.4330 -3.854000 2.152000 
1 1 1   19   13   21 o   7.7220   1.0140   6.0100   1.6450   9.4350   1.1860 -3.425000 2.028000 
1 1 1   19   13   22 o   3.2430   1.0450   3.3510   1.5020   3.1350   1.4530 0.2162000 2.090000 
1 1 1   19   13   23 o   10.320   0.7707   10.120   1.0860   10.510   1.0940 -0.3914000 1.541000 
1 1 1   19   13   24 o   12.290   0.6722   12.880   0.8870   11.700   1.0100 1.178000 1.344000 
1 1 1   19   13   25 o   9.2730   1.0000   9.7420   1.3090   8.8030   1.5120 0.9393000 2.000000 
1 1 1   19   13   26 o   4.4560   1.3220   4.2540   1.8190   4.6580   1.9180 -0.4043000 2.643000 
1 1 1   19   13   27 o   4.8500   1.3690   3.8350   1.7460   5.8650   2.1090 -2.030000 2.738000 
1 1 1   19   13   28 o   3.1180   1.0580   3.0350   1.4570   3.2010   1.5350 -0.1660000 2.117000 
1 1 1   19   13   29 o   3.4730   1.1460   3.3560   1.5750   3.5900   1.6640 -0.2341000 2.291000 
1 1 1   19   13   30 o   3.0150   1.0510   3.1870   1.5520   2.8420   1.4190 0.3452000 2.102000 
1 1 1   19   13   31 o   2.5630   0.9143   2.3970   1.2170   2.7290   1.3650 -0.3320000 1.829000 
1 1 1   19   13   32 o   2.4210   0.8600   2.4230   1.2170   2.4190   1.2160 0.3847000E-02 1.720000 
1 1 1   19   15    0 o   54.990   0.6670   54.500   1.0890   55.480   0.7709 -0.9793000 1.334000 
1 1 1   19   15    1 o   40.960   0.5452   41.140   0.9481   40.770   0.5385 0.3704000 1.090000 
1 1 1   19   15    2 o   84.250   0.6313   83.580   0.8854   84.930   0.9000 -1.357000 1.263000 
1 1 1   19   15    3 o   24.200   0.4231   24.230   0.5982   24.180   0.5984 0.5111000E-01 0.8461000 
1 1 1   19   15    4 o   17.070   0.5578   16.110   0.8036   18.030   0.7739 -1.922000 1.116000 
1 1 1   19   15    5 o   9.5800   0.9823   10.590   1.0940   8.5680   1.6320 2.024000 1.965000 
1 1 1   19   15    6 o   41.950   0.3541   42.240   0.4928   41.670   0.5088 0.5724000 0.7083000 
1 1 1   19   15    7 o   49.770   0.3777   49.550   0.5279   49.990   0.5404 -0.4372000 0.7554000 
1 1 1   19   15    8 o   33.890   0.3573   34.010   0.4999   33.770   0.5105 0.2443000 0.7145000 
1 1 1   19   15    9 o   42.460   0.3652   42.520   0.5134   42.400   0.5196 0.1234000 0.7305000 
1 1 1   19   15   10 o   17.380   0.6605   17.000   0.9798   17.750   0.8860 -0.7486000 1.321000 
1 1 1   19   15   11 o   6.5020   1.4060   8.0270   1.9600   4.9770   2.0150 3.051000 2.811000 
1 1 1   19   15   12 o   28.790   0.3750   29.140   0.5186   28.440   0.5417 0.6930000 0.7500000 
1 1 1   19   15   13 o   5.6070   1.2210   7.3670   1.7330   3.8460   1.7200 3.521000 2.441000 
1 1 1   19   15   14 o   33.340   0.4019   33.900   0.5713   32.780   0.5656 1.117000 0.8039000 
1 1 1   19   15   15 o   14.050   0.5731   14.250   0.7792   13.860   0.8407 0.3957000 1.146000 
1 1 1   19   15   16 o   4.2600   1.1600   3.3220   1.4960   5.1990   1.7720 -1.878000 2.319000 
1 1 1   19   15   17 o   4.4830   1.2480   3.2350   1.5010   5.7310   1.9930 -2.496000 2.495000 
1 1 1   19   15   18 o   13.630   0.5777   14.260   0.7625   13.000   0.8682 1.265000 1.155000 
1 1 1   19   15   19 o   3.5550   1.0730   2.6610   1.2810   4.4480   1.7230 -1.787000 2.147000 
1 1 1   19   15   20 o   17.880   0.4741   18.220   0.6365   17.530   0.7029 0.6875000 0.9482000 
1 1 1   19   15   21 o   12.660   0.6548   13.240   0.8441   12.090   1.0010 1.150000 1.310000 
1 1 1   19   15   22 o   4.7810   1.2020   5.7260   1.7380   3.8370   1.6610 1.889000 2.404000 
1 1 1   19   15   23 o   8.7160   1.0020   10.020   1.1340   7.4100   1.6520 2.610000 2.004000 
1 1 1   19   15   24 o   3.6200   1.1580   3.8630   1.6950   3.3760   1.5790 0.4865000 2.316000 
1 1 1   19   15   25 o   5.0570   1.3690   5.0510   1.8440   5.0630   2.0230 -0.1173000E-01 2.737000 
1 1 1   19   15   26 o   6.0640   1.3200   3.9580   1.7850   8.1690   1.9450 -4.211000 2.640000 
1 1 1   19   15   27 o   3.5820   1.1500   4.1890   1.7890   2.9760   1.4470 1.212000 2.301000 
1 1 1   19   15   28 o   4.4370   1.3650   3.9460   1.8190   4.9280   2.0350 -0.9822000 2.730000 
1 1 1   19   15   29 o   3.4720   1.1640   3.0320   1.4900   3.9130   1.7890 -0.8810000 2.328000 
1 1 1   19   15   30 o   3.1950   1.0980   3.3590   1.6110   3.0310   1.4920 0.3284000 2.195000 
1 1 1   19   15   31 o   2.5520   0.8982   2.8670   1.3940   2.2360   1.1330 0.6304000 1.796000 
1 1 1   19   17    0 o   13.610   0.6324   13.800   0.8711   13.420   0.9170 0.3741000 1.265000 
1 1 1   19   17    1 o   31.220   0.3533   31.410   0.4984   31.040   0.5009 0.3753000 0.7066000 
1 1 1   19   17    2 o   37.130   0.3749   37.500   0.5612   36.770   0.4971 0.7372000 0.7497000 
1 1 1   19   17    3 o   18.240   0.6201   18.570   1.0020   17.910   0.7307 0.6559000 1.240000 
1 1 1   19   17    4 o   20.140   0.5895   20.260   0.9639   20.020   0.6789 0.2415000 1.179000 
1 1 1   19   17    5 o   40.600   0.4452   41.140   0.7270   40.050   0.5139 1.085000 0.8903000 
1 1 1   19   17    6 o   33.150   0.4546   34.440   0.7381   31.850   0.5308 2.585000 0.9091000 
1 1 1   19   17    7 o   17.400   0.6774   18.600   1.0580   16.210   0.8462 2.390000 1.355000 
1 1 1   19   17    8 o   21.030   0.6150   21.310   0.9154   20.760   0.8216 0.5488000 1.230000 
1 1 1   19   17    9 o   24.890   0.5770   24.800   0.9073   24.980   0.7131 -0.1829000 1.154000 
1 1 1   19   17   10 o   12.260   1.6470   11.530   3.0940   12.980   1.1280 -1.454000 3.294000 
1 1 1   19   17   11 o   10.530   1.7000   11.740   3.0190   9.3130   1.5660 2.430000 3.401000 
1 1 1   19   17   12 o   7.1190   1.4200   9.0690   2.1540   5.1700   1.8500 3.899000 2.839000 
1 1 1   19   17   13 o   8.7970   1.2700   8.9380   2.0950   8.6570   1.4350 0.2817000 2.540000 
1 1 1   19   17   14 o   4.2420   1.2680   4.3710   1.8770   4.1140   1.7070 0.2562000 2.537000 
1 1 1   19   17   15 o   4.2830   1.2430   4.9960   1.8580   3.5700   1.6520 1.427000 2.486000 
1 1 1   19   17   16 o   15.880   0.6128   15.690   0.8118   16.070   0.9181 -0.3872000 1.226000 
1 1 1   19   17   17 o   4.9700   1.2470   5.3260   1.7640   4.6140   1.7630 0.7122000 2.494000 
1 1 1   19   17   18 o   9.1990   0.9035   9.9360   1.1370   8.4610   1.4050 1.476000 1.807000 
1 1 1   19   17   19 o   3.7810   1.1460   3.4700   1.5430   4.0910   1.6950 -0.6209000 2.292000 
1 1 1   19   17   20 o   7.9160   1.0560   8.9050   1.2660   6.9280   1.6910 1.977000 2.112000 
1 1 1   19   17   21 o   9.1940   0.9375   8.4420   1.4130   9.9470   1.2330 -1.505000 1.875000 
1 1 1   19   17   22 o   5.3870   1.3110   6.2760   1.8560   4.4980   1.8500 1.779000 2.621000 
1 1 1   19   17   23 o   4.6340   1.2740   5.0790   1.8310   4.1890   1.7710 0.8896000 2.547000 
1 1 1   19   17   24 o   4.5870   1.3400   5.4760   2.0540   3.6970   1.7200 1.779000 2.679000 
1 1 1   19   17   25 o   3.8900   1.2460   4.4080   1.9000   3.3720   1.6140 1.037000 2.493000 
1 1 1   19   17   26 f   3.2460   1.0880   3.5960   1.6520   2.8960   1.4150 0.7004000 2.175000 
1 1 1   19   17   27 o   5.1190   1.3110   3.0810   1.5200   7.1570   2.1370 -4.076000 2.622000 
1 1 1   19   17   28 o   3.2310   1.0890   3.4320   1.6060   3.0310   1.4710 0.4004000 2.178000 
1 1 1   19   17   29 o   2.6370   0.9364   2.6320   1.3190   2.6430   1.3290 -0.1073000E-01 1.873000 
1 1 1   19   17   30 o   2.1300   0.7818   1.8040   0.9288   2.4550   1.2580 -0.6509000 1.564000 
1 1 1   19   19    0 o   10.460   0.8276   10.450   1.1680   10.470   1.1730 -0.1427000E-01 1.655000 
1 1 1   19   19    1 o   16.010   0.5513   15.620   0.7905   16.400   0.7687 -0.7809000 1.103000 
1 1 1   19   19    2 o   7.3690   1.2010   7.3680   1.6400   7.3700   1.7550 -0.2435000E-02 2.402000 
1 1 1   19   19    3 o   15.890   0.5665   16.350   0.7528   15.440   0.8467 0.9133000 1.133000 
1 1 1   19   19    4 o   28.490   0.4466   28.080   0.6293   28.900   0.6337 -0.8180000 0.8931000 
1 1 1   19   19    5 o   14.070   0.9316   13.910   1.3680   14.220   1.2650 -0.3158000 1.863000 
1 1 1   19   19    6 o   33.300   0.5154   33.950   0.7337   32.650   0.7239 1.302000 1.031000 
1 1 1   19   19    7 o   5.8180   1.3660   5.4230   1.9050   6.2120   1.9600 -0.7891000 2.733000 
1 1 1   19   19    8 o   6.4880   1.2140   7.1780   1.5510   5.7980   1.8690 1.380000 2.429000 
1 1 1   19   19    9 o   14.560   0.5856   14.370   0.7891   14.750   0.8656 -0.3793000 1.171000 
1 1 1   19   19   10 o   20.080   0.4402   20.610   0.5804   19.540   0.6621 1.075000 0.8805000 
1 1 1   19   19   11 o   9.8630   0.8697   10.430   1.1420   9.2970   1.3120 1.131000 1.739000 
1 1 1   19   19   12 o   11.890   0.6984   11.860   0.9707   11.930   1.0040 -0.7515000E-01 1.397000 
1 1 1   19   19   13 o   17.430   0.5797   17.500   0.7569   17.350   0.8782 0.1503000 1.159000 
1 1 1   19   19   14 o   5.6480   1.3550   5.0530   1.8770   6.2430   1.9550 -1.190000 2.710000 
1 1 1   19   19   15 o   3.8180   1.1540   4.7560   1.8530   2.8800   1.3770 1.876000 2.309000 
1 1 1   19   19   16 o   11.030   1.0360   10.560   1.8190   11.500   0.9909 -0.9464000 2.071000 
1 1 1   19   19   17 o   12.220   0.9241   12.840   1.5280   11.590   1.0400 1.258000 1.848000 
1 1 1   19   19   18 o   3.8910   1.2480   4.1920   1.9200   3.5890   1.5950 0.6024000 2.496000 
1 1 1   19   19   19 o   8.9910   1.2860   7.5950   2.2800   10.390   1.1900 -2.792000 2.572000 
1 1 1   19   19   20 o   5.1460   1.4430   4.5180   2.0830   5.7730   1.9980 -1.255000 2.886000 
1 1 1   19   19   21 o   6.9840   1.5520   6.0670   2.4970   7.9000   1.8440 -1.833000 3.104000 
1 1 1   19   19   22 o   4.1190   1.3070   4.2910   1.9430   3.9470   1.7490 0.3433000 2.615000 
1 1 1   19   19   23 o   4.6100   1.4310   4.8910   2.1330   4.3300   1.9100 0.5605000 2.863000 
1 1 1   19   19   24 o   4.5100   1.3650   3.9820   1.8850   5.0380   1.9740 -1.056000 2.730000 
1 1 1   19   19   25 o   3.9250   1.2810   4.5060   2.0240   3.3440   1.5700 1.162000 2.562000 
1 1 1   19   19   26 o   4.0910   1.3750   4.1400   2.0430   4.0420   1.8420 0.9781000E-01 2.751000 
1 1 1   19   19   27 o   3.1600   1.0670   2.5010   1.2770   3.8180   1.7090 -1.318000 2.133000 
1 1 1   19   19   28 o   2.0290   0.7399   2.0500   1.0590   2.0070   1.0330 0.4301000E-01 1.480000 
1 1 1   19   21    0 o   14.360   0.6850   12.940   1.0710   15.780   0.8539 -2.838000 1.370000 
1 1 1   19   21    1 o   16.640   0.5067   16.570   0.7182   16.710   0.7150 -0.1358000 1.013000 
1 1 1   19   21    2 o   27.630   0.3898   28.210   0.4977   27.050   0.6000 1.159000 0.7795000 
1 1 1   19   21    3 o   5.0710   1.2660   4.5850   1.7340   5.5580   1.8460 -0.9727000 2.532000 
1 1 1   19   21    4 o   8.0470   1.0450   8.6090   1.2920   7.4860   1.6440 1.122000 2.091000 
1 1 1   19   21    5 o   11.300   0.7276   11.210   0.9739   11.400   1.0810 -0.1917000 1.455000 
1 1 1   19   21    6 o   16.760   0.5104   16.120   0.7114   17.400   0.7320 -1.278000 1.021000 
1 1 1   19   21    7 o   6.8950   1.1710   7.9630   1.4370   5.8260   1.8480 2.137000 2.341000 
1 1 1   19   21    8 o   12.950   0.6395   13.200   0.8364   12.700   0.9676 0.4995000 1.279000 
1 1 1   19   21    9 o   9.3160   0.8945   9.8790   1.0940   8.7540   1.4150 1.125000 1.789000 
1 1 1   19   21   10 o   13.190   0.7227   13.530   0.8871   12.860   1.1410 0.6629000 1.445000 
1 1 1   19   21   11 o   10.950   0.8788   12.070   0.9682   9.8400   1.4670 2.225000 1.758000 
1 1 1   19   21   12 o   4.0730   1.2100   4.0120   1.7070   4.1330   1.7150 -0.1206000 2.420000 
1 1 1   19   21   13 o   10.260   0.8521   11.380   1.0250   9.1420   1.3610 2.237000 1.704000 
1 1 1   19   21   14 o   5.4170   1.2790   5.6940   1.7920   5.1400   1.8250 0.5546000 2.558000 
1 1 1   19   21   15 o   12.850   0.6651   12.240   0.9531   13.460   0.9280 -1.221000 1.330000 
1 1 1   19   21   16 o   13.900   0.6290   13.440   0.8993   14.370   0.8796 -0.9283000 1.258000 
1 1 1   19   21   17 o   4.9110   1.1830   6.4590   1.7790   3.3630   1.5600 3.096000 2.366000 
1 1 1   19   21   18 o   4.5460   1.3250   4.6740   1.8830   4.4180   1.8630 0.2565000 2.649000 
1 1 1   19   21   19 o   24.200   0.4887   24.060   0.6815   24.340   0.7006 -0.2832000 0.9774000 
1 1 1   19   21   20 o   10.330   0.9567   11.470   1.1440   9.1930   1.5330 2.272000 1.913000 
1 1 1   19   21   21 f   4.0250   1.2600   4.0400   1.7430   4.0090   1.8190 0.3120000E-01 2.520000 
1 1 1   19   21   22 o   3.9370   1.2740   3.8900   1.7920   3.9830   1.8120 -0.9258000E-01 2.548000 
1 1 1   19   21   23 o   2.8560   0.9938   2.8490   1.3990   2.8630   1.4120 -0.1406000E-01 1.988000 
1 1 1   19   21   24 o   3.4510   1.1590   4.0340   1.8230   2.8680   1.4330 1.166000 2.319000 
1 1 1   19   21   25 o   3.2220   1.0870   3.0110   1.4600   3.4320   1.6110 -0.4211000 2.174000 
1 1 1   19   21   26 o   3.7630   1.1940   3.5220   1.6230   4.0050   1.7530 -0.4829000 2.389000 
1 1 1   19   21   27 o   2.8810   1.0070   2.4040   1.2180   3.3580   1.6040 -0.9546000 2.014000 
1 1 1   19   23    0 o   14.950   0.5299   14.870   0.7481   15.040   0.7508 -0.1659000 1.060000 
1 1 1   19   23    1 o   24.270   0.3729   24.320   0.5218   24.230   0.5328 0.8862000E-01 0.7458000 
1 1 1   19   23    2 o   19.420   0.4826   20.060   0.5980   18.780   0.7576 1.273000 0.9652000 
1 1 1   19   23    3 o   14.980   0.5583   14.780   0.7583   15.180   0.8195 -0.3990000 1.117000 
1 1 1   19   23    4 o   6.2650   1.2320   5.3630   1.7600   7.1660   1.7230 -1.803000 2.463000 
1 1 1   19   23    5 o   30.340   0.3519   30.610   0.4791   30.070   0.5157 0.5466000 0.7038000 
1 1 1   19   23    6 o   9.1170   1.1040   10.880   1.1200   7.3560   1.9040 3.523000 2.209000 
1 1 1   19   23    7 o   7.4010   1.2400   7.9690   1.5180   6.8330   1.9610 1.136000 2.480000 
1 1 1   19   23    8 o   10.090   0.9683   8.4090   1.4650   11.770   1.2660 -3.362000 1.937000 
1 1 1   19   23    9 o   13.910   0.6080   12.960   0.8659   14.860   0.8536 -1.903000 1.216000 
1 1 1   19   23   10 o   9.2960   0.9270   9.5730   1.1750   9.0190   1.4340 0.5536000 1.854000 
1 1 1   19   23   11 o   5.0430   1.2260   3.9670   1.6430   6.1180   1.8210 -2.151000 2.453000 
1 1 1   19   23   12 o   7.9360   1.0900   8.8400   1.2930   7.0330   1.7550 1.806000 2.180000 
1 1 1   19   23   13 o   4.3780   1.1810   3.0300   1.4240   5.7260   1.8840 -2.697000 2.361000 
1 1 1   19   23   14 o   10.510   0.8777   10.540   1.1940   10.480   1.2870 0.6294000E-01 1.755000 
1 1 1   19   23   15 o   12.370   0.8304   12.720   1.0860   12.020   1.2570 0.7040000 1.661000 
1 1 1   19   23   16 o   3.5940   1.1760   3.5430   1.6350   3.6460   1.6910 -0.1031000 2.352000 
1 1 1   19   23   17 o   12.250   0.7860   11.780   1.1330   12.710   1.0900 -0.9258000 1.572000 
1 1 1   19   23   18 o   7.2350   1.2650   8.6310   1.5960   5.8400   1.9630 2.790000 2.530000 
1 1 1   19   23   19 o   10.150   1.0850   8.5020   1.5940   11.800   1.4740 -3.298000 2.171000 
1 1 1   19   23   20 o   3.4690   1.1760   3.1290   1.5410   3.8100   1.7780 -0.6809000 2.353000 
1 1 1   19   23   21 f   3.0750   1.0500   2.8490   1.3950   3.3010   1.5700 -0.4524000 2.101000 
1 1 1   19   23   22 o   4.6900   1.3400   5.9150   2.1070   3.4650   1.6570 2.450000 2.681000 
1 1 1   19   23   23 o   4.9610   1.3470   4.3320   1.8180   5.5890   1.9890 -1.257000 2.695000 
1 1 1   19   23   24 o   2.3860   0.8519   2.5390   1.2710   2.2320   1.1350 0.3070000 1.704000 
1 1 1   19   23   25 o   3.3490   1.1340   3.6090   1.6900   3.0900   1.5140 0.5192000 2.269000 
1 1 1   19   25    0 f   11.440   0.8003   11.350   1.1040   11.520   1.1590 -0.1657000 1.601000 
1 1 1   19   25    1 o   16.810   0.5638   16.840   0.7700   16.780   0.8237 0.5851000E-01 1.128000 
1 1 1   19   25    2 o   13.540   0.7267   13.750   0.9380   13.330   1.1100 0.4183000 1.453000 
1 1 1   19   25    3 o   22.240   0.4799   22.740   0.6259   21.730   0.7276 1.012000 0.9598000 
1 1 1   19   25    4 o   8.3440   1.0390   7.8550   1.4730   8.8340   1.4670 -0.9789000 2.079000 
1 1 1   19   25    5 f   5.9770   1.2640   6.0510   1.7150   5.9030   1.8560 0.1484000 2.527000 
1 1 1   19   25    6 o   8.5760   0.9918   8.9810   1.2500   8.1710   1.5400 0.8103000 1.984000 
1 1 1   19   25    7 o   10.530   0.8085   11.220   1.0020   9.8320   1.2690 1.392000 1.617000 
1 1 1   19   25    8 o   3.2830   1.0700   3.4510   1.5490   3.1140   1.4770 0.3372000 2.140000 
1 1 1   19   25    9 o   3.9820   1.1730   4.6420   1.7710   3.3230   1.5390 1.320000 2.347000 
1 1 1   19   25   10 o   5.8920   1.2860   6.3440   1.7420   5.4400   1.8930 0.9043000 2.572000 
1 1 1   19   25   11 o   4.6820   1.3370   5.0680   1.9320   4.2960   1.8490 0.7714000 2.674000 
1 1 1   19   25   12 o   5.7780   1.2740   7.5180   1.8130   4.0380   1.7900 3.480000 2.547000 
1 1 1   19   25   13 o   4.9570   1.3620   4.4930   1.8430   5.4210   2.0070 -0.9278000 2.725000 
1 1 1   19   25   14 o   11.210   0.8488   11.920   1.0890   10.510   1.3020 1.409000 1.698000 
1 1 1   19   25   15 o   11.720   0.8230   11.340   1.1680   12.110   1.1600 -0.7712000 1.646000 
1 1 1   19   25   16 o   3.4020   1.1220   3.4810   1.6000   3.3220   1.5740 0.1594000 2.245000 
1 1 1   19   25   17 o   3.7170   1.1940   4.2030   1.7950   3.2300   1.5760 0.9728000 2.389000 
1 1 1   19   25   18 o   3.7690   1.2440   4.1040   1.8620   3.4340   1.6500 0.6702000 2.488000 
1 1 1   19   25   19 o   4.6610   1.4000   4.9880   2.0350   4.3340   1.9230 0.6537000 2.799000 
1 1 1   19   25   20 o   4.6000   1.3660   3.7850   1.7540   5.4160   2.0930 -1.630000 2.731000 
1 1 1   19   25   21 o   3.1660   1.0730   2.8440   1.3960   3.4890   1.6290 -0.6447000 2.146000 
1 1 1   19   25   22 o   2.6420   0.9266   2.5910   1.2880   2.6930   1.3320 -0.1017000 1.853000 
1 1 1   19   25   23 o   2.3320   0.8385   2.3980   1.2140   2.2650   1.1570 0.1329000 1.677000 
1 1 1   19   27    0 o   10.060   0.8544   9.4860   1.2600   10.640   1.1540 -1.155000 1.709000 
1 1 1   19   27    1 o   8.6710   1.0160   8.9810   1.3400   8.3610   1.5260 0.6207000 2.031000 
1 1 1   19   27    2 o   5.2380   1.2810   4.1040   1.7200   6.3730   1.8980 -2.268000 2.562000 
1 1 1   19   27    3 o   16.850   0.5538   16.330   0.7637   17.370   0.8021 -1.043000 1.108000 
1 1 1   19   27    4 o   15.280   0.6932   14.530   0.9879   16.040   0.9728 -1.513000 1.386000 
1 1 1   19   27    5 o   6.1950   1.4290   6.2100   1.9680   6.1810   2.0730 0.2917000E-01 2.858000 
1 1 1   19   27    6 o   11.030   0.9586   11.060   1.2740   11.010   1.4330 0.5772000E-01 1.917000 
1 1 1   19   27    7 o   5.7620   1.4150   6.0160   1.9580   5.5080   2.0420 0.5086000 2.829000 
1 1 1   19   27    8 o   3.4430   1.1330   4.0160   1.7710   2.8700   1.4150 1.146000 2.267000 
1 1 1   19   27    9 o   5.7970   1.3230   6.0820   1.8340   5.5120   1.9080 0.5696000 2.646000 
1 1 1   19   27   10 o   5.0370   1.1840   3.1130   1.4730   6.9600   1.8530 -3.847000 2.368000 
1 1 1   19   27   11 o   5.7630   1.3560   5.3990   1.9070   6.1270   1.9280 -0.7275000 2.712000 
1 1 1   19   27   12 o   3.7460   1.1890   3.3530   1.5580   4.1400   1.7970 -0.7868000 2.379000 
1 1 1   19   27   13 f   6.1310   1.3420   6.9590   1.8380   5.3030   1.9560 1.656000 2.684000 
1 1 1   19   27   14 o   6.0310   1.3890   6.0690   1.9180   5.9930   2.0080 0.7603000E-01 2.777000 
1 1 1   19   27   15 o   3.7090   1.2330   3.2650   1.5840   4.1520   1.8890 -0.8869000 2.466000 
1 1 1   19   27   16 o   4.2440   1.4120   4.3350   2.0260   4.1540   1.9660 0.1807000 2.824000 
1 1 1   19   27   17 o   4.0740   1.2940   4.7020   1.9860   3.4470   1.6590 1.255000 2.588000 
1 1 1   19   27   18 o   2.9500   1.0220   3.2860   1.5740   2.6150   1.3050 0.6713000 2.044000 
1 1 1   19   27   19 o   3.3800   1.1210   3.3190   1.5570   3.4410   1.6120 -0.1221000 2.242000 
1 1 1   19   27   20 o   2.5120   0.8881   2.7060   1.3340   2.3180   1.1730 0.3875000 1.776000 
1 1 1   19   27   21 o   2.1510   0.7903   2.1350   1.1090   2.1660   1.1260 -0.3116000E-01 1.581000 
1 1 1   19   29    0 o   6.7160   1.1900   8.4470   1.4680   4.9840   1.8730 3.463000 2.380000 
1 1 1   19   29    1 o   10.540   0.8807   11.200   1.1160   9.8710   1.3630 1.331000 1.761000 
1 1 1   19   29    2 o   3.9470   1.2070   4.3790   1.7810   3.5150   1.6290 0.8640000 2.413000 
1 1 1   19   29    3 o   3.4800   1.1300   3.6940   1.6470   3.2660   1.5470 0.4283000 2.259000 
1 1 1   19   29    4 o   6.6130   1.3360   6.4930   1.8360   6.7340   1.9410 -0.2407000 2.672000 
1 1 1   19   29    5 o   3.6040   1.1580   3.8200   1.6860   3.3880   1.5870 0.4320000 2.316000 
1 1 1   19   29    6 o   3.7170   1.1810   3.4350   1.5860   4.0000   1.7500 -0.5659000 2.362000 
1 1 1   19   29    7 o   6.4480   1.3470   6.3680   1.8700   6.5290   1.9380 -0.1618000 2.693000 
1 1 1   19   29    8 o   7.5430   1.1820   5.2510   1.9010   9.8350   1.4050 -4.585000 2.364000 
1 1 1   19   29    9 o   4.2550   1.2530   3.4030   1.5830   5.1070   1.9430 -1.703000 2.506000 
1 1 1   19   29   10 o   3.7790   1.1990   3.4850   1.6090   4.0740   1.7770 -0.5896000 2.397000 
1 1 1   19   29   11 o   4.7800   1.4100   5.0250   2.0320   4.5360   1.9560 0.4887000 2.821000 
1 1 1   19   29   12 o   7.6490   1.5240   10.270   2.1100   5.0310   2.1990 5.237000 3.047000 
1 1 1   19   29   13 o   3.9250   1.3030   3.8170   1.8390   4.0330   1.8470 -0.2161000 2.606000 
1 1 1   19   29   14 o   3.5190   1.1770   3.9850   1.8110   3.0520   1.5040 0.9322000 2.354000 
1 1 1   19   29   15 f   3.5890   1.1580   3.0370   1.4590   4.1410   1.7990 -1.104000 2.317000 
1 1 1   19   29   16 o   2.6680   0.9334   3.0000   1.4470   2.3360   1.1800 0.6635000 1.867000 
1 1 1   19   29   17 o   2.2170   0.7982   1.9370   0.9936   2.4960   1.2500 -0.5586000 1.596000 
1 1 1   19   29   18 o   1.9680   0.7250   2.0480   1.0650   1.8880   0.9836 0.1602000 1.450000 
1 1 1   19   31    0 o   3.3710   1.1130   3.3740   1.5640   3.3670   1.5840 0.6968000E-02 2.226000 
1 1 1   19   31    1 o   11.930   1.0570   12.190   1.0660   11.680   1.8250 0.5043000 2.114000 
1 1 1   19   31    2 o   10.260   1.1020   11.260   1.1780   9.2590   1.8630 1.996000 2.204000 
1 1 1   19   31    3 o   3.6920   1.1920   4.2140   1.7840   3.1690   1.5820 1.045000 2.384000 
1 1 1   19   31    4 o   5.3830   1.4230   6.0880   1.9210   4.6780   2.0990 1.410000 2.845000 
1 1 1   19   31    5 o   3.5010   1.1990   3.6780   1.7060   3.3240   1.6860 0.3541000 2.399000 
1 1 1   19   31    6 o   4.4740   1.4900   4.2730   1.9810   4.6740   2.2250 -0.4014000 2.979000 
1 1 1   19   31    7 o   4.5430   1.5160   4.0970   1.9300   4.9890   2.3390 -0.8915000 3.033000 
1 1 1   19   31    8 o   3.7470   1.2980   3.8940   1.8640   3.6000   1.8060 0.2940000 2.596000 
1 1 1   19   31    9 o   4.3870   1.3780   3.3760   1.5850   5.3980   2.2540 -2.022000 2.755000 
1 1 1   19   31   10 o   2.7290   1.3440   2.7290   1.3440  ?   ?       ?      ? 
1 1 1   19   31   11 o   3.8700   1.2500   3.9630   1.7270   3.7780   1.8070 0.1841000 2.499000 
1 1 1   19   31   12 o   3.0700   1.4670   3.0700   1.4670  ?   ?       ?      ? 
1 1 1   19   31   13 o   2.4490   0.8728   2.6540   1.3090   2.2440   1.1540 0.4104000 1.746000 
1 1 1   19   31   14 o   2.1120   1.0980  ?   ?    2.1120   1.0980      ?      ? 
1 1 1   19   33    0 o   2.6260   0.9305   2.7200   1.3550   2.5320   1.2760 0.1876000 1.861000 
1 1 1   19   33    1 o   2.7870   0.9786   2.6820   1.3380   2.8920   1.4280 -0.2107000 1.957000 
1 1 1   19   33    2 o   7.2580   1.1990   9.2750   1.4380   5.2420   1.9180 4.033000 2.397000 
1 1 1   19   33    3 o   2.5380   0.8938   2.9180   1.4110   2.1580   1.0980 0.7599000 1.788000 
1 1 1   19   33    4 o   3.1890   1.0600   2.5510   1.2670   3.8270   1.7010 -1.276000 2.121000 
1 1 1   19   33    5 o   2.5450   0.8951   2.5230   1.2540   2.5670   1.2770 -0.4405000E-01 1.790000 
1 1 1   19   33    6 o   2.4640   0.8714   2.7110   1.3320   2.2170   1.1240 0.4937000 1.743000 
1 1 1   19   33    7 o   2.6490   0.9242   2.7300   1.3370   2.5680   1.2760 0.1623000 1.848000 
1 1 1   19   33    8 o   1.9750   0.7219   1.9860   1.0260   1.9640   1.0160 0.2224000E-01 1.444000 
1 1 1   20    0    0 o   12.480   0.3174   12.480   0.3174   12.480   0.3174 0.000000 0.000000 
1 1 1   20    0    1 o   57.570   0.7343   57.570   0.7343   57.570   0.7343 0.000000 0.000000 
1 1 1   20    0    2 o   49.750   0.6431   49.750   0.6431   49.750   0.6431 -0.000000 0.000000 
1 1 1   20    0    3 o   71.250   0.6399   71.250   0.6399   71.250   0.6399 -0.000000 0.000000 
1 1 1   20    0    4 o   27.390   0.3061   27.390   0.3061   27.390   0.3061 0.000000 0.000000 
1 1 1   20    0    5 o   16.660   0.3263   16.660   0.3263   16.660   0.3263 -0.000000 0.000000 
1 1 1   20    0    6 o   41.890   0.4685   41.890   0.4685   41.890   0.4685 0.000000 0.000000 
1 1 1   20    0    7 o   10.310   0.7768   10.310   0.7768   10.310   0.7768 -0.000000 0.000000 
1 1 1   20    0    8 o   13.320   0.4387   13.320   0.4387   13.320   0.4387 -0.000000 0.000000 
1 1 1   20    0    9 o   19.640   0.3663   19.640   0.3663   19.640   0.3663 -0.000000 0.000000 
1 1 1   20    0   10 o   68.590   0.6268   68.590   0.6268   68.590   0.6268 -0.000000 0.000000 
1 1 1   20    0   11 o   56.510   0.5318   56.510   0.5318   56.510   0.5318 0.000000 0.000000 
1 1 1   20    0   12 o   33.330   0.3966   33.330   0.3966   33.330   0.3966 0.000000 0.000000 
1 1 1   20    0   13 f   58.120   0.5547   58.120   0.5547   58.120   0.5547 -0.000000 0.000000 
1 1 1   20    0   14 o   89.970   0.8172   89.970   0.8172   89.970   0.8172 -0.000000 0.000000 
1 1 1   20    0   15 o   47.590   0.4969   47.590   0.4969   47.590   0.4969 0.000000 0.000000 
1 1 1   20    0   16 o   4.2060   2.2810   4.2060   2.2810   4.2060   2.2810 -0.000000 0.000000 
1 1 1   20    0   17 o   23.060   0.5488   23.060   0.5488   23.060   0.5488 -0.000000 0.000000 
1 1 1   20    0   18 o   13.260   0.8516   13.260   0.8516   13.260   0.8516 -0.000000 0.000000 
1 1 1   20    0   19 o   3.2830   1.9200   3.2830   1.9200   3.2830   1.9200 -0.000000 0.000000 
1 1 1   20    0   20 o   18.870   0.6032   18.870   0.6032   18.870   0.6032 -0.000000 0.000000 
1 1 1   20    0   21 o   3.0250   1.9970   3.0250   1.9970   3.0250   1.9970 -0.000000 0.000000 
1 1 1   20    0   22 o   2.2550   1.5200   2.2550   1.5200   2.2550   1.5200 -0.000000 0.000000 
1 1 1   20    0   23 o   12.930   0.7973   12.930   0.7973   12.930   0.7973 -0.000000 0.000000 
1 1 1   20    0   24 o   3.2110   1.8700   3.2110   1.8700   3.2110   1.8700 0.000000 0.000000 
1 1 1   20    0   25 o   3.0930   1.8310   3.0930   1.8310   3.0930   1.8310 0.000000 0.000000 
1 1 1   20    0   26 o   6.1360   1.9290   6.1360   1.9290   6.1360   1.9290 -0.000000 0.000000 
1 1 1   20    0   27 o   3.4180   1.9380   3.4180   1.9380   3.4180   1.9380 -0.000000 0.000000 
1 1 1   20    0   28 o   2.1200   1.4750   2.1200   1.4750   2.1200   1.4750 0.000000 0.000000 
1 1 1   20    0   29 o   3.1060   2.0570   3.1060   2.0570   3.1060   2.0570 0.000000 0.000000 
1 1 1   20    0   30 o   2.1630   1.5230   2.1630   1.5230   2.1630   1.5230 0.000000 0.000000 
1 1 1   20    0   31 o   2.5400   1.7330   2.5400   1.7330   2.5400   1.7330 0.000000 0.000000 
1 1 1   20    0   32 o   5.0510   2.3970   5.0510   2.3970   5.0510   2.3970 0.000000 0.000000 
1 1 1   20    0   33 f   6.9350   2.8290   6.9350   2.8290   6.9350   2.8290 -0.000000 0.000000 
1 1 1   20    0   34 o   2.2510   1.5740   2.2510   1.5740   2.2510   1.5740 0.000000 0.000000 
1 1 1   20    2    0 o   43.700   0.2853   44.110   0.4073   43.280   0.3996 0.8259000 0.5706000 
1 1 1   20    2    1 o   33.150   0.2297   33.060   0.3247   33.230   0.3250 -0.1696000 0.4594000 
1 1 1   20    2    2 o   22.910   0.2352   22.750   0.3355   23.070   0.3297 -0.3237000 0.4703000 
1 1 1   20    2    3 o   13.280   0.2361   13.070   0.3406   13.490   0.3270 -0.4162000 0.4722000 
1 1 1   20    2    4 o   5.1610   0.6020   5.5930   0.7743   4.7290   0.9219 0.8642000 1.204000 
1 1 1   20    2    5 o   33.100   0.2418   33.340   0.3424   32.860   0.3416 0.4810000 0.4837000 
1 1 1   20    2    6 o   3.7960   0.8592   4.5840   1.2310   3.0090   1.1990 1.575000 1.718000 
1 1 1   20    2    7 o   3.5160   0.9178   4.7510   1.4590   2.2810   1.1130 2.470000 1.836000 
1 1 1   20    2    8 o   21.430   0.2954   21.690   0.3944   21.180   0.4400 0.5149000 0.5908000 
1 1 1   20    2    9 o   30.020   0.2524   29.900   0.3536   30.140   0.3604 -0.2488000 0.5049000 
1 1 1   20    2   10 o   22.030   0.2691   22.210   0.3768   21.840   0.3842 0.3673000 0.5382000 
1 1 1   20    2   11 o   37.070   0.2874   37.090   0.4056   37.060   0.4073 0.3091000E-01 0.5748000 
1 1 1   20    2   12 o   34.280   0.2871   34.050   0.4050   34.520   0.4071 -0.4730000 0.5743000 
1 1 1   20    2   13 o   58.100   0.3929   58.410   0.5576   57.800   0.5537 0.6090000 0.7858000 
1 1 1   20    2   14 o   72.560   0.4761   72.360   0.6706   72.770   0.6761 -0.4082000 0.9522000 
1 1 1   20    2   15 o   37.290   0.3657   36.840   0.5015   37.740   0.5325 -0.8940000 0.7314000 
1 1 1   20    2   16 o   16.760   0.6117   16.490   0.8682   17.030   0.8618 -0.5318000 1.223000 
1 1 1   20    2   17 o   13.870   0.5679   14.770   0.7322   12.980   0.8683 1.793000 1.136000 
1 1 1   20    2   18 o   25.770   0.3581   25.910   0.4942   25.640   0.5183 0.2732000 0.7162000 
1 1 1   20    2   19 o   14.640   0.5245   15.700   0.6802   13.590   0.7985 2.104000 1.049000 
1 1 1   20    2   20 o   4.0940   1.2080   5.1010   1.9280   3.0870   1.4560 2.014000 2.416000 
1 1 1   20    2   21 o   23.070   0.5603   23.330   0.7785   22.810   0.8060 0.5138000 1.121000 
1 1 1   20    2   22 o   7.3220   0.9886   7.9900   1.2730   6.6540   1.5130 1.336000 1.977000 
1 1 1   20    2   23 o   9.9760   0.7215   10.620   0.9183   9.3270   1.1130 1.298000 1.443000 
1 1 1   20    2   24 o   9.0040   0.7980   9.0850   1.0750   8.9230   1.1800 0.1630000 1.596000 
1 1 1   20    2   25 o   5.1200   1.1680   4.4980   1.6570   5.7420   1.6460 -1.244000 2.336000 
1 1 1   20    2   26 f   4.1130   1.1500   4.5620   1.6760   3.6630   1.5740 0.8984000 2.299000 
1 1 1   20    2   27 o   12.180   0.6494   12.900   0.8539   11.460   0.9785 1.445000 1.299000 
1 1 1   20    2   28 o   9.5190   0.9573   9.6470   1.2720   9.3910   1.4310 0.2566000 1.915000 
1 1 1   20    2   29 o   4.2460   1.3110   5.2170   2.0800   3.2750   1.5970 1.942000 2.622000 
1 1 1   20    2   30 o   4.6520   1.2970   4.1270   1.7720   5.1780   1.8950 -1.051000 2.594000 
1 1 1   20    2   31 o   5.2010   1.3710   5.4220   1.9300   4.9810   1.9490 0.4409000 2.743000 
1 1 1   20    2   32 o   3.7820   1.2130   3.8290   1.7280   3.7340   1.7020 0.9436000E-01 2.426000 
1 1 1   20    2   33 o   3.6790   1.2450   2.6960   1.3680   4.6630   2.0810 -1.968000 2.490000 
1 1 1   20    2   34 o   5.3850   1.1540   7.7460   1.7860   3.0240   1.4610 4.722000 2.307000 
1 1 1   20    4    0 o   48.090   0.3133   48.380   0.4445   47.810   0.4416 0.5733000 0.6265000 
1 1 1   20    4    1 o   55.820   0.3597   55.840   0.5085   55.790   0.5088 0.5501000E-01 0.7194000 
1 1 1   20    4    2 o   26.200   0.2548   26.420   0.3625   25.980   0.3582 0.4386000 0.5096000 
1 1 1   20    4    3 f   6.3230   0.4732   7.0810   0.5693   5.5660   0.7562 1.515000 0.9465000 
1 1 1   20    4    4 o   55.290   0.4141   55.510   0.5874   55.070   0.5840 0.4421000 0.8283000 
1 1 1   20    4    5 o   24.160   0.2519   24.400   0.3542   23.930   0.3583 0.4627000 0.5039000 
1 1 1   20    4    6 o   52.460   0.3462   52.650   0.4904   52.270   0.4889 0.3835000 0.6925000 
1 1 1   20    4    7 o   18.270   0.3176   18.290   0.4318   18.250   0.4657 0.3802000E-01 0.6351000 
1 1 1   20    4    8 o   15.340   0.3047   15.330   0.4241   15.350   0.4375 -0.2247000E-01 0.6093000 
1 1 1   20    4    9 o   43.340   0.3051   43.590   0.4317   43.080   0.4312 0.5080000 0.6101000 
1 1 1   20    4   10 o   5.3410   0.9070   5.2440   1.2740   5.4370   1.2910 -0.1925000 1.814000 
1 1 1   20    4   11 o   16.720   0.3476   17.200   0.4703   16.240   0.5118 0.9666000 0.6951000 
1 1 1   20    4   12 o   31.850   0.3716   32.810   0.4774   30.890   0.5697 1.924000 0.7433000 
1 1 1   20    4   13 o   33.090   0.3028   33.360   0.4204   32.820   0.4360 0.5365000 0.6057000 
1 1 1   20    4   14 o   17.030   0.4308   16.790   0.5946   17.270   0.6234 -0.4828000 0.8615000 
1 1 1   20    4   15 o   29.240   0.3689   29.210   0.4995   29.260   0.5429 -0.5033000E-01 0.7377000 
1 1 1   20    4   16 o   13.790   0.6674   14.400   0.9122   13.180   0.9745 1.225000 1.335000 
1 1 1   20    4   17 o   11.540   0.7027   12.360   0.8964   10.730   1.0820 1.636000 1.405000 
1 1 1   20    4   18 o   42.710   0.3491   42.450   0.4897   42.970   0.4976 -0.5118000 0.6982000 
1 1 1   20    4   19 o   20.610   0.4093   20.440   0.5655   20.780   0.5919 -0.3421000 0.8187000 
1 1 1   20    4   20 o   3.4950   1.1250   3.2750   1.5380   3.7160   1.6410 -0.4412000 2.249000 
1 1 1   20    4   21 o   12.950   0.7141   12.970   0.8858   12.940   1.1200 0.3949000E-01 1.428000 
1 1 1   20    4   22 o   12.120   0.6025   12.760   0.7861   11.470   0.9133 1.290000 1.205000 
1 1 1   20    4   23 o   13.910   0.5274   13.270   0.7614   14.540   0.7299 -1.272000 1.055000 
1 1 1   20    4   24 o   2.6450   0.8994   2.6100   1.2570   2.6800   1.2870 -0.7017000E-01 1.799000 
1 1 1   20    4   25 o   7.2570   1.0290   6.7170   1.5240   7.7970   1.3840 -1.080000 2.058000 
1 1 1   20    4   26 o   5.0060   1.2100   4.4290   1.6760   5.5830   1.7460 -1.154000 2.420000 
1 1 1   20    4   27 o   3.2760   1.0520   3.5260   1.5450   3.0270   1.4280 0.4986000 2.103000 
1 1 1   20    4   28 f   3.2360   1.0840   3.2200   1.5170   3.2520   1.5480 -0.3167000E-01 2.167000 
1 1 1   20    4   29 o   10.400   1.0610   8.5410   1.7680   12.260   1.1720 -3.716000 2.122000 
1 1 1   20    4   30 o   3.7960   1.2050   3.9010   1.7380   3.6910   1.6700 0.2100000 2.410000 
1 1 1   20    4   31 o   5.3280   1.2420   7.1840   1.8840   3.4720   1.6190 3.712000 2.484000 
1 1 1   20    4   32 o   3.1040   1.0760   2.9780   1.4710   3.2300   1.5710 -0.2514000 2.152000 
1 1 1   20    4   33 o   3.9300   1.2600   4.1590   1.8380   3.7000   1.7260 0.4594000 2.521000 
1 1 1   20    4   34 o   2.2790   0.8183   2.0560   1.0520   2.5030   1.2530 -0.4464000 1.637000 
1 1 1   20    6    0 o   54.350   0.4998   53.930   0.7016   54.780   0.7121 -0.8519000 0.9996000 
1 1 1   20    6    1 o   34.040   0.3503   33.930   0.4926   34.160   0.4981 -0.2309000 0.7005000 
1 1 1   20    6    2 o   27.500   0.2526   27.520   0.3566   27.470   0.3578 0.4829000E-01 0.5052000 
1 1 1   20    6    3 o   38.540   0.3094   38.350   0.4367   38.720   0.4384 -0.3794000 0.6188000 
1 1 1   20    6    4 o   39.780   0.2789   39.930   0.3946   39.620   0.3943 0.3089000 0.5578000 
1 1 1   20    6    5 o   57.680   0.4086   58.470   0.5400   56.880   0.6133 1.595000 0.8172000 
1 1 1   20    6    6 o   47.430   0.3751   47.660   0.5286   47.200   0.5324 0.4647000 0.7503000 
1 1 1   20    6    7 o   35.190   0.3651   36.050   0.4449   34.320   0.5790 1.729000 0.7302000 
1 1 1   20    6    8 o   35.130   0.2752   35.460   0.3879   34.810   0.3906 0.6531000 0.5505000 
1 1 1   20    6    9 o   18.070   0.3142   18.040   0.4326   18.110   0.4557 -0.6520000E-01 0.6284000 
1 1 1   20    6   10 o   20.700   0.3072   20.470   0.4322   20.920   0.4367 -0.4510000 0.6144000 
1 1 1   20    6   11 o   47.450   0.3690   46.850   0.4734   48.050   0.5662 -1.204000 0.7380000 
1 1 1   20    6   12 o   39.440   0.3121   39.420   0.4379   39.450   0.4448 -0.3040000E-01 0.6242000 
1 1 1   20    6   13 o   64.120   0.4299   64.560   0.6100   63.670   0.6059 0.8849000 0.8598000 
1 1 1   20    6   14 o   43.110   0.3846   42.880   0.5332   43.340   0.5544 -0.4583000 0.7692000 
1 1 1   20    6   15 o   22.410   0.3960   22.600   0.5328   22.220   0.5860 0.3738000 0.7920000 
1 1 1   20    6   16 o   32.080   0.3983   31.270   0.5687   32.900   0.5578 -1.632000 0.7965000 
1 1 1   20    6   17 o   36.130   0.3406   36.150   0.4740   36.100   0.4893 0.4749000E-01 0.6812000 
1 1 1   20    6   18 o   10.360   0.7644   10.580   1.0160   10.140   1.1420 0.4379000 1.529000 
1 1 1   20    6   19 o   4.1260   1.2380   4.0840   1.7460   4.1690   1.7550 -0.8521000E-01 2.475000 
1 1 1   20    6   20 f   8.4270   1.3770   9.7190   1.6550   7.1340   2.2000 2.585000 2.753000 
1 1 1   20    6   21 o   23.890   0.4264   23.820   0.5610   23.960   0.6423 -0.1346000 0.8528000 
1 1 1   20    6   22 o   3.7070   1.0270   4.9150   1.6500   2.4990   1.2240 2.416000 2.054000 
1 1 1   20    6   23 o   6.1970   1.1180   7.1160   1.4340   5.2780   1.7160 1.839000 2.237000 
1 1 1   20    6   24 o   5.3750   1.1550   6.5300   1.5760   4.2200   1.6890 2.310000 2.310000 
1 1 1   20    6   25 o   10.960   0.6918   10.570   0.9802   11.340   0.9764 -0.7647000 1.384000 
1 1 1   20    6   26 o   4.1400   1.1340   5.1510   1.7340   3.1280   1.4610 2.023000 2.268000 
1 1 1   20    6   27 o   4.3060   1.2280   4.3890   1.7350   4.2230   1.7380 0.1659000 2.456000 
1 1 1   20    6   28 o   3.5640   1.1930   3.4590   1.6300   3.6690   1.7430 -0.2099000 2.386000 
1 1 1   20    6   29 o   5.9000   1.4010   6.6910   2.0500   5.1090   1.9100 1.582000 2.802000 
1 1 1   20    6   30 o   7.4310   1.2690   8.7960   1.5640   6.0660   2.0000 2.731000 2.539000 
1 1 1   20    6   31 o   3.1080   1.0600   2.8350   1.3950   3.3800   1.5980 -0.5457000 2.121000 
1 1 1   20    6   32 o   3.7790   1.2890   3.6220   1.7490   3.9370   1.8940 -0.3154000 2.578000 
1 1 1   20    6   33 o   2.1810   0.7904   2.1030   1.0810   2.2580   1.1540 -0.1550000 1.581000 
1 1 1   20    6   34 o   2.5630   0.9039   2.3550   1.1890   2.7720   1.3620 -0.4177000 1.808000 
1 1 1   20    8    0 o   94.650   0.6011   94.690   0.8501   94.600   0.8500 0.9187000E-01 1.202000 
1 1 1   20    8    1 o   13.930   0.3035   13.830   0.4297   14.030   0.4286 -0.2003000 0.6069000 
1 1 1   20    8    2 o   18.230   0.2638   18.510   0.3641   17.950   0.3819 0.5569000 0.5277000 
1 1 1   20    8    3 o   54.450   0.3610   54.830   0.5133   54.080   0.5078 0.7556000 0.7220000 
1 1 1   20    8    4 o   14.690   0.3121   14.650   0.4352   14.740   0.4475 -0.9516000E-01 0.6242000 
1 1 1   20    8    5 o   31.090   0.3098   31.200   0.4338   30.990   0.4423 0.2082000 0.6195000 
1 1 1   20    8    6 o   56.460   0.4365   56.680   0.6172   56.250   0.6175 0.4322000 0.8731000 
1 1 1   20    8    7 o   22.320   0.3130   22.040   0.3933   22.610   0.4870 -0.5761000 0.6260000 
1 1 1   20    8    8 o   37.400   0.2919   37.560   0.4104   37.240   0.4153 0.3223000 0.5838000 
1 1 1   20    8    9 o   46.750   0.3639   47.540   0.4776   45.960   0.5492 1.575000 0.7278000 
1 1 1   20    8   10 f   83.670   0.5397   83.420   0.7609   83.920   0.7655 -0.4965000 1.079000 
1 1 1   20    8   11 o   59.880   0.4058   59.610   0.5703   60.150   0.5776 -0.5428000 0.8117000 
1 1 1   20    8   12 o   44.500   0.3419   44.830   0.4812   44.160   0.4858 0.6696000 0.6838000 
1 1 1   20    8   13 o   12.870   0.6368   12.630   0.8468   13.110   0.9514 -0.4808000 1.274000 
1 1 1   20    8   14 o   21.770   0.4261   21.980   0.6206   21.560   0.5841 0.4202000 0.8522000 
1 1 1   20    8   15 o   6.9900   1.3200   7.6770   1.8290   6.3030   1.9040 1.374000 2.640000 
1 1 1   20    8   16 o   28.740   0.3519   29.000   0.4895   28.490   0.5058 0.5081000 0.7039000 
1 1 1   20    8   17 o   2.5370   0.8817   2.2700   1.1340   2.8040   1.3510 -0.5345000 1.763000 
1 1 1   20    8   18 o   9.5100   0.9455   9.4650   1.3550   9.5550   1.3190 -0.9040000E-01 1.891000 
1 1 1   20    8   19 o   4.7620   1.1930   6.1740   1.8220   3.3500   1.5410 2.824000 2.386000 
1 1 1   20    8   20 o   18.450   0.5282   19.440   0.6544   17.460   0.8294 1.980000 1.056000 
1 1 1   20    8   21 o   10.380   0.7126   10.650   0.9340   10.110   1.0760 0.5462000 1.425000 
1 1 1   20    8   22 o   7.0790   1.0540   7.0740   1.4010   7.0850   1.5760 -0.1035000E-01 2.109000 
1 1 1   20    8   23 o   11.710   0.6500   12.430   0.8135   10.980   1.0140 1.449000 1.300000 
1 1 1   20    8   24 o   11.560   0.6621   11.630   0.9058   11.490   0.9658 0.1471000 1.324000 
1 1 1   20    8   25 o   4.5170   1.1990   3.7860   1.5910   5.2470   1.7950 -1.462000 2.398000 
1 1 1   20    8   26 o   3.9470   1.1760   3.9540   1.6470   3.9400   1.6800 0.1373000E-01 2.352000 
1 1 1   20    8   27 o   4.0410   1.2360   3.7630   1.6620   4.3190   1.8300 -0.5566000 2.472000 
1 1 1   20    8   28 o   6.8960   1.2500   9.2460   1.6260   4.5470   1.8980 4.700000 2.500000 
1 1 1   20    8   29 o   3.7950   1.1960   3.9470   1.7300   3.6440   1.6510 0.3034000 2.392000 
1 1 1   20    8   30 o   3.1710   1.0700   2.9030   1.4120   3.4390   1.6070 -0.5361000 2.139000 
1 1 1   20    8   31 o   4.8230   1.3660   6.0980   2.1530   3.5480   1.6830 2.550000 2.732000 
1 1 1   20    8   32 o   3.1460   1.0930   3.2010   1.5630   3.0900   1.5290 0.1111000 2.187000 
1 1 1   20    8   33 o   2.3810   0.8489   2.3500   1.1870   2.4120   1.2140 -0.6167000E-01 1.698000 
1 1 1   20   10    0 f   18.410   0.2895   18.010   0.4147   18.810   0.4039 -0.7985000 0.5789000 
1 1 1   20   10    1 o   56.670   0.3759   56.280   0.5283   57.060   0.5348 -0.7772000 0.7518000 
1 1 1   20   10    2 o   57.580   0.4124   58.990   0.5500   56.160   0.6148 2.837000 0.8249000 
1 1 1   20   10    3 o   46.490   0.3785   47.120   0.5353   45.860   0.5352 1.259000 0.7570000 
1 1 1   20   10    4 o   18.060   0.3821   18.000   0.5327   18.130   0.5478 -0.1380000 0.7641000 
1 1 1   20   10    5 o   53.900   0.3662   54.360   0.5199   53.450   0.5160 0.9092000 0.7325000 
1 1 1   20   10    6 o   25.930   0.2882   26.130   0.4036   25.730   0.4115 0.4028000 0.5763000 
1 1 1   20   10    7 o   60.480   0.4056   60.830   0.5756   60.140   0.5717 0.6856000 0.8113000 
1 1 1   20   10    8 o   14.500   0.4492   15.370   0.5792   13.630   0.6866 1.744000 0.8983000 
1 1 1   20   10    9 o   89.050   0.5733   89.300   0.8126   88.790   0.8089 0.5096000 1.147000 
1 1 1   20   10   10 o   97.510   0.6258   97.830   0.8874   97.200   0.8825 0.6313000 1.252000 
1 1 1   20   10   11 o   44.680   0.3883   44.840   0.5458   44.520   0.5524 0.3205000 0.7765000 
1 1 1   20   10   12 o   5.0890   1.2290   3.9640   1.6540   6.2150   1.8190 -2.251000 2.459000 
1 1 1   20   10   13 o   11.150   0.7312   12.120   0.9014   10.190   1.1520 1.924000 1.462000 
1 1 1   20   10   14 o   25.090   0.4611   25.550   0.6641   24.630   0.6399 0.9264000 0.9222000 
1 1 1   20   10   15 o   30.210   0.4284   30.370   0.6203   30.040   0.5910 0.3331000 0.8568000 
1 1 1   20   10   16 o   4.4630   1.2230   4.1250   1.6730   4.8010   1.7840 -0.6758000 2.446000 
1 1 1   20   10   17 o   22.360   0.4613   22.930   0.6386   21.800   0.6658 1.130000 0.9226000 
1 1 1   20   10   18 o   14.030   0.6562   14.750   0.8962   13.310   0.9586 1.443000 1.312000 
1 1 1   20   10   19 o   25.100   0.4342   25.410   0.5586   24.780   0.6648 0.6261000 0.8683000 
1 1 1   20   10   20 o   11.210   0.8538   12.750   0.8811   9.6720   1.4630 3.075000 1.708000 
1 1 1   20   10   21 o   3.6170   1.0860   2.9310   1.3630   4.3020   1.6910 -1.371000 2.172000 
1 1 1   20   10   22 o   16.960   0.4654   16.320   0.6612   17.600   0.6550 -1.273000 0.9307000 
1 1 1   20   10   23 o   21.160   0.4007   21.330   0.5444   21.000   0.5880 0.3302000 0.8013000 
1 1 1   20   10   24 o   6.7510   1.1330   7.9800   1.3770   5.5220   1.8000 2.458000 2.266000 
1 1 1   20   10   25 o   9.4050   0.8748   9.3340   1.2090   9.4750   1.2650 -0.1417000 1.750000 
1 1 1   20   10   26 o   14.890   0.6408   14.980   0.8467   14.810   0.9621 0.1686000 1.282000 
1 1 1   20   10   27 o   3.0430   1.0460   3.1890   1.5320   2.8970   1.4260 0.2916000 2.093000 
1 1 1   20   10   28 o   3.6010   1.1870   3.2560   1.5570   3.9460   1.7920 -0.6899000 2.374000 
1 1 1   20   10   29 o   4.3740   1.2900   4.2820   1.7900   4.4650   1.8580 -0.1830000 2.580000 
1 1 1   20   10   30 o   3.7800   1.2040   3.4960   1.6080   4.0640   1.7930 -0.5678000 2.409000 
1 1 1   20   10   31 o   3.1340   1.0870   2.8380   1.4170   3.4300   1.6490 -0.5914000 2.174000 
1 1 1   20   10   32 f   3.5500   1.1870   3.8520   1.7750   3.2470   1.5760 0.6053000 2.373000 
1 1 1   20   10   33 o   2.4490   0.8683   2.4370   1.2260   2.4600   1.2300 -0.2236000E-01 1.737000 
1 1 1   20   12    0 o   77.460   0.5774   78.040   0.8220   76.880   0.8112 1.158000 1.155000 
1 1 1   20   12    1 f   47.300   0.4297   47.950   0.5501   46.640   0.6602 1.309000 0.8593000 
1 1 1   20   12    2 o   58.940   0.3955   59.050   0.5588   58.830   0.5597 0.2227000 0.7909000 
1 1 1   20   12    3 o   12.430   0.4943   12.310   0.6805   12.550   0.7171 -0.2429000 0.9886000 
1 1 1   20   12    4 o   50.880   0.3570   51.300   0.5051   50.470   0.5047 0.8336000 0.7140000 
1 1 1   20   12    5 o   70.110   0.4612   70.290   0.6530   69.920   0.6514 0.3663000 0.9223000 
1 1 1   20   12    6 o   28.640   0.3148   28.690   0.4388   28.600   0.4514 0.9621000E-01 0.6295000 
1 1 1   20   12    7 o   21.640   0.3653   21.920   0.5000   21.360   0.5328 0.5617000 0.7307000 
1 1 1   20   12    8 f   59.710   0.4688   60.210   0.6642   59.210   0.6617 1.005000 0.9375000 
1 1 1   20   12    9 o   10.700   0.7806   11.100   1.0080   10.310   1.1920 0.7915000 1.561000 
1 1 1   20   12   10 o   16.040   0.5126   16.190   0.6933   15.900   0.7553 0.2896000 1.025000 
1 1 1   20   12   11 o   31.370   0.3478   31.260   0.4859   31.480   0.4978 -0.2166000 0.6956000 
1 1 1   20   12   12 o   24.850   0.4437   25.740   0.5371   23.950   0.7064 1.796000 0.8874000 
1 1 1   20   12   13 o   9.7890   1.0990   11.120   1.3660   8.4560   1.7230 2.666000 2.199000 
1 1 1   20   12   14 o   15.380   0.5681   14.760   0.8218   16.000   0.7845 -1.238000 1.136000 
1 1 1   20   12   15 o   28.180   0.4363   27.780   0.6005   28.570   0.6331 -0.7878000 0.8726000 
1 1 1   20   12   16 o   5.0850   1.3150   5.5930   1.9220   4.5780   1.7960 1.014000 2.631000 
1 1 1   20   12   17 o   4.0390   1.1730   4.0270   1.6450   4.0510   1.6720 -0.2462000E-01 2.346000 
1 1 1   20   12   18 o   16.620   0.5783   16.110   0.7938   17.130   0.8412 -1.016000 1.157000 
1 1 1   20   12   19 o   27.940   0.4131   28.970   0.5442   26.910   0.6216 2.057000 0.8261000 
1 1 1   20   12   20 o   5.3610   1.2160   5.0920   1.7010   5.6300   1.7390 -0.5383000 2.432000 
1 1 1   20   12   21 o   6.0720   1.1730   6.3530   1.5710   5.7910   1.7420 0.5614000 2.346000 
1 1 1   20   12   22 o   7.1370   1.0910   7.1490   1.4750   7.1260   1.6090 0.2233000E-01 2.183000 
1 1 1   20   12   23 o   13.230   0.6064   13.340   0.8223   13.130   0.8915 0.2096000 1.213000 
1 1 1   20   12   24 o   10.740   0.7569   10.950   1.0150   10.530   1.1230 0.4245000 1.514000 
1 1 1   20   12   25 o   6.3470   1.3260   5.7450   1.8620   6.9490   1.8900 -1.204000 2.653000 
1 1 1   20   12   26 o   7.3340   1.2700   7.5720   1.6080   7.0970   1.9660 0.4751000 2.540000 
1 1 1   20   12   27 o   5.2390   1.4170   5.9980   2.0770   4.4800   1.9300 1.518000 2.835000 
1 1 1   20   12   28 o   4.2970   1.2080   2.7720   1.3640   5.8220   1.9930 -3.050000 2.416000 
1 1 1   20   12   29 o   4.4270   1.3020   4.8940   1.9080   3.9610   1.7740 0.9330000 2.605000 
1 1 1   20   12   30 f   3.9930   1.2870   4.1280   1.8520   3.8570   1.7870 0.2714000 2.574000 
1 1 1   20   12   31 o   2.9380   1.0300   3.4020   1.6250   2.4730   1.2660 0.9297000 2.060000 
1 1 1   20   12   32 o   2.8010   0.9723   3.0380   1.4630   2.5630   1.2810 0.4757000 1.945000 
1 1 1   20   14    0 o   73.120   0.5865   72.850   0.9569   73.380   0.6784 -0.5285000 1.173000 
1 1 1   20   14    1 o   59.490   0.4969   59.930   0.8163   59.050   0.5668 0.8860000 0.9937000 
1 1 1   20   14    2 o   42.280   0.4102   43.490   0.6742   41.070   0.4675 2.422000 0.8204000 
1 1 1   20   14    3 o   21.000   0.3902   20.990   0.5404   21.020   0.5630 -0.2757000E-01 0.7804000 
1 1 1   20   14    4 o   11.580   0.7517   12.790   0.9146   10.370   1.1930 2.426000 1.503000 
1 1 1   20   14    5 o   49.630   0.4179   49.420   0.5872   49.850   0.5946 -0.4298000 0.8357000 
1 1 1   20   14    6 o   27.410   0.3983   28.200   0.5435   26.620   0.5825 1.577000 0.7967000 
1 1 1   20   14    7 o   6.0990   1.1560   4.1980   1.7040   8.0000   1.5610 -3.802000 2.311000 
1 1 1   20   14    8 o   33.100   0.3485   32.610   0.4876   33.590   0.4981 -0.9812000 0.6970000 
1 1 1   20   14    9 o   10.230   0.8477   10.650   1.1290   9.8150   1.2650 0.8391000 1.695000 
1 1 1   20   14   10 o   20.770   0.4770   20.000   0.6419   21.540   0.7057 -1.539000 0.9540000 
1 1 1   20   14   11 o   22.750   0.5323   22.810   0.7626   22.690   0.7427 0.1239000 1.065000 
1 1 1   20   14   12 o   27.380   0.4690   27.510   0.6675   27.250   0.6591 0.2595000 0.9381000 
1 1 1   20   14   13 o   30.160   0.3636   30.350   0.5088   29.970   0.5195 0.3767000 0.7271000 
1 1 1   20   14   14 o   8.5070   1.1090   8.6030   1.5120   8.4120   1.6220 0.1913000 2.218000 
1 1 1   20   14   15 o   16.690   0.5110   16.850   0.6946   16.530   0.7496 0.3261000 1.022000 
1 1 1   20   14   16 o   5.9380   1.0280   3.4010   1.5090   8.4750   1.3980 -5.074000 2.057000 
1 1 1   20   14   17 o   12.020   0.7863   12.540   0.9494   11.500   1.2540 1.039000 1.573000 
1 1 1   20   14   18 o   11.840   0.7923   11.570   1.0220   12.100   1.2110 -0.5346000 1.585000 
1 1 1   20   14   19 o   10.840   0.7183   10.290   1.0520   11.380   0.9782 -1.098000 1.437000 
1 1 1   20   14   20 o   4.8570   1.1950   5.9520   1.6740   3.7630   1.7050 2.188000 2.389000 
1 1 1   20   14   21 o   7.9990   1.0040   7.2530   1.4910   8.7440   1.3440 -1.491000 2.007000 
1 1 1   20   14   22 o   9.2350   0.8681   8.9450   1.2320   9.5250   1.2240 -0.5796000 1.736000 
1 1 1   20   14   23 o   7.8800   1.0670   8.3710   1.3890   7.3890   1.6200 0.9817000 2.134000 
1 1 1   20   14   24 o   5.3480   1.2490   6.7170   1.7890   3.9790   1.7420 2.738000 2.498000 
1 1 1   20   14   25 o   2.8470   0.9659   3.5290   1.5890   2.1660   1.0990 1.363000 1.932000 
1 1 1   20   14   26 o   5.3710   1.4410   4.9860   2.0110   5.7560   2.0640 -0.7701000 2.882000 
1 1 1   20   14   27 o   4.3710   1.2830   3.5770   1.6400   5.1640   1.9740 -1.587000 2.566000 
1 1 1   20   14   28 o   5.0780   1.3690   4.5250   1.8690   5.6320   2.0020 -1.107000 2.739000 
1 1 1   20   14   29 o   5.0460   1.4190   4.0950   1.8550   5.9970   2.1480 -1.902000 2.838000 
1 1 1   20   14   30 o   2.9220   1.0230   2.8320   1.4080   3.0130   1.4850 -0.1809000 2.047000 
1 1 1   20   14   31 o   2.1550   0.7763   2.0340   1.0410   2.2750   1.1520 -0.2404000 1.553000 
1 1 1   20   16    0 o   62.200   0.4588   62.010   0.6005   62.400   0.6939 -0.3940000 0.9177000 
1 1 1   20   16    1 o   32.860   0.3411   32.660   0.4825   33.050   0.4822 -0.3952000 0.6821000 
1 1 1   20   16    2 o   24.800   0.3835   24.300   0.5430   25.290   0.5417 -0.9868000 0.7670000 
1 1 1   20   16    3 o   25.690   0.4093   26.390   0.6012   24.990   0.5556 1.398000 0.8186000 
1 1 1   20   16    4 o   14.730   0.7682   13.870   1.3030   15.580   0.8133 -1.702000 1.536000 
1 1 1   20   16    5 o   38.590   0.4357   38.410   0.7117   38.760   0.5028 -0.3516000 0.8714000 
1 1 1   20   16    6 o   20.700   0.6293   20.150   0.9774   21.260   0.7929 -1.110000 1.259000 
1 1 1   20   16    7 o   23.720   0.5367   23.680   0.8742   23.750   0.6230 -0.6005000E-01 1.073000 
1 1 1   20   16    8 o   26.280   0.5259   26.800   0.8716   25.770   0.5888 1.032000 1.052000 
1 1 1   20   16    9 o   29.260   0.5347   28.990   0.8409   29.540   0.6607 -0.5484000 1.069000 
1 1 1   20   16   10 o   22.010   0.6313   21.290   1.0230   22.740   0.7397 -1.453000 1.263000 
1 1 1   20   16   11 o   16.310   1.3800   15.020   2.6270   17.600   0.8446 -2.584000 2.759000 
1 1 1   20   16   12 o   15.760   1.4470   14.020   2.7740   17.510   0.8203 -3.481000 2.893000 
1 1 1   20   16   13 o   29.760   0.4874   30.060   0.8200   29.460   0.5272 0.5998000 0.9749000 
1 1 1   20   16   14 o   9.7840   1.1590   9.7320   1.9700   9.8360   1.2210 -0.1032000 2.317000 
1 1 1   20   16   15 o   3.7150   1.1810   4.2500   1.8430   3.1810   1.4780 1.068000 2.362000 
1 1 1   20   16   16 o   3.7940   1.2410   4.1030   1.8750   3.4840   1.6260 0.6192000 2.482000 
1 1 1   20   16   17 o   18.700   0.4720   18.140   0.6652   19.270   0.6699 -1.133000 0.9440000 
1 1 1   20   16   18 o   12.120   0.6673   11.810   0.9513   12.440   0.9359 -0.6273000 1.335000 
1 1 1   20   16   19 o   12.050   0.6783   12.720   0.8652   11.370   1.0450 1.346000 1.357000 
1 1 1   20   16   20 o   10.160   0.8300   9.3730   1.2360   10.940   1.1080 -1.567000 1.660000 
1 1 1   20   16   21 o   2.9880   1.0010   2.5330   1.2470   3.4430   1.5670 -0.9102000 2.002000 
1 1 1   20   16   22 o   5.3740   1.2230   6.5860   1.7180   4.1620   1.7410 2.424000 2.445000 
1 1 1   20   16   23 o   3.7180   1.1790   3.2150   1.5160   4.2200   1.8060 -1.005000 2.358000 
1 1 1   20   16   24 o   4.0120   1.2180   3.8190   1.6680   4.2040   1.7760 -0.3847000 2.436000 
1 1 1   20   16   25 o   5.4180   1.3120   7.3540   2.0410   3.4810   1.6510 3.874000 2.625000 
1 1 1   20   16   26 o   7.3740   1.3120   7.8670   1.7330   6.8820   1.9700 0.9850000 2.624000 
1 1 1   20   16   27 o   4.1290   1.2610   4.6630   1.9020   3.5960   1.6550 1.066000 2.521000 
1 1 1   20   16   28 o   3.6340   1.2150   3.6220   1.7150   3.6450   1.7230 -0.2286000E-01 2.431000 
1 1 1   20   16   29 o   3.2230   1.1040   3.1990   1.5460   3.2470   1.5770 -0.4855000E-01 2.208000 
1 1 1   20   16   30 o   2.4760   0.8862   2.4210   1.2280   2.5320   1.2780 -0.1110000 1.772000 
1 1 1   20   18    0 o   52.130   0.3831   52.000   0.5409   52.250   0.5428 -0.2548000 0.7663000 
1 1 1   20   18    1 o   26.260   0.3831   25.700   0.5449   26.810   0.5388 -1.111000 0.7663000 
1 1 1   20   18    2 o   29.480   0.3666   28.970   0.5103   29.990   0.5265 -1.020000 0.7332000 
1 1 1   20   18    3 o   32.190   0.3581   32.260   0.4973   32.120   0.5153 0.1417000 0.7161000 
1 1 1   20   18    4 o   14.350   0.6200   14.020   0.8632   14.680   0.8902 -0.6566000 1.240000 
1 1 1   20   18    5 f   34.670   0.3573   35.070   0.4931   34.260   0.5172 0.8043000 0.7146000 
1 1 1   20   18    6 o   28.040   0.4584   28.460   0.6328   27.620   0.6633 0.8353000 0.9167000 
1 1 1   20   18    7 o   27.850   0.5540   27.960   0.7889   27.750   0.7781 0.2131000 1.108000 
1 1 1   20   18    8 o   14.260   0.9362   13.410   1.4180   15.110   1.2230 -1.703000 1.872000 
1 1 1   20   18    9 o   11.940   0.7953   11.950   1.0640   11.940   1.1820 0.1236000E-01 1.591000 
1 1 1   20   18   10 o   19.870   0.4649   19.950   0.6515   19.790   0.6634 0.1599000 0.9298000 
1 1 1   20   18   11 o   15.600   0.5477   16.070   0.7333   15.140   0.8138 0.9370000 1.095000 
1 1 1   20   18   12 o   36.030   0.3519   36.280   0.4917   35.770   0.5036 0.5081000 0.7038000 
1 1 1   20   18   13 o   12.110   0.6838   12.460   0.9160   11.760   1.0160 0.7009000 1.368000 
1 1 1   20   18   14 o   9.8700   0.9735   9.5120   1.3570   10.230   1.3960 -0.7164000 1.947000 
1 1 1   20   18   15 o   16.550   0.5936   16.350   0.8158   16.750   0.8626 -0.3988000 1.187000 
1 1 1   20   18   16 o   3.3200   1.0700   3.4490   1.5450   3.1900   1.4810 0.2590000 2.140000 
1 1 1   20   18   17 o   15.400   0.7050   13.780   1.2130   17.030   0.7180 -3.247000 1.410000 
1 1 1   20   18   18 o   3.8340   1.2110   3.6100   1.7320   4.0580   1.6930 -0.4481000 2.422000 
1 1 1   20   18   19 o   4.3150   1.3190   4.4080   1.9830   4.2210   1.7410 0.1864000 2.639000 
1 1 1   20   18   20 f   5.5030   1.4320   5.1760   2.1750   5.8310   1.8620 -0.6550000 2.863000 
1 1 1   20   18   21 o   4.3490   1.3990   5.7180   2.3930   2.9800   1.4490 2.738000 2.797000 
1 1 1   20   18   22 o   4.1950   1.3150   5.1940   2.1510   3.1970   1.5130 1.997000 2.630000 
1 1 1   20   18   23 o   6.4100   1.5050   6.3560   2.3150   6.4630   1.9230 -0.1065000 3.010000 
1 1 1   20   18   24 o   4.2110   1.3360   4.9320   2.0990   3.4890   1.6540 1.443000 2.672000 
1 1 1   20   18   25 o   4.9620   1.4620   5.7360   2.3010   4.1870   1.8060 1.549000 2.925000 
1 1 1   20   18   26 o   3.5210   1.2160   3.2800   1.6760   3.7620   1.7620 -0.4817000 2.432000 
1 1 1   20   18   27 o   3.8170   1.2870   3.5670   1.7990   4.0660   1.8420 -0.4987000 2.574000 
1 1 1   20   18   28 o   3.4490   1.1710   3.3370   1.6300   3.5610   1.6810 -0.2244000 2.341000 
1 1 1   20   18   29 o   2.4640   0.8865   2.6350   1.3340   2.2930   1.1670 0.3418000 1.773000 
1 1 1   20   20    0 o   11.210   1.1320   9.4680   1.8550   12.940   1.2990 -3.475000 2.265000 
1 1 1   20   20    1 o   15.060   0.8163   16.040   1.0920   14.080   1.2130 1.963000 1.633000 
1 1 1   20   20    2 o   20.250   0.6469   20.490   0.9154   20.000   0.9144 0.4876000 1.294000 
1 1 1   20   20    3 o   24.230   0.5662   23.760   0.8223   24.700   0.7787 -0.9486000 1.132000 
1 1 1   20   20    4 o   16.500   0.7591   16.560   1.0780   16.440   1.0690 0.1205000 1.518000 
1 1 1   20   20    5 o   28.940   0.3642   29.700   0.4962   28.190   0.5331 1.502000 0.7283000 
1 1 1   20   20    6 o   8.6980   0.9597   8.8400   1.2600   8.5570   1.4480 0.2829000 1.919000 
1 1 1   20   20    7 o   11.450   0.7257   11.680   0.9521   11.220   1.0950 0.4598000 1.451000 
1 1 1   20   20    8 o   22.400   0.4085   21.940   0.5619   22.860   0.5930 -0.9287000 0.8169000 
1 1 1   20   20    9 o   28.160   0.3620   27.870   0.4933   28.450   0.5300 -0.5868000 0.7240000 
1 1 1   20   20   10 o   3.9100   1.1370   4.6870   1.7290   3.1330   1.4770 1.553000 2.274000 
1 1 1   20   20   11 o   28.130   0.3896   28.320   0.5707   27.940   0.5306 0.3804000 0.7792000 
1 1 1   20   20   12 o   13.580   0.7103   12.930   0.9968   14.230   1.0120 -1.295000 1.421000 
1 1 1   20   20   13 o   8.4800   1.1650   10.570   1.2270   6.3940   1.9810 4.172000 2.330000 
1 1 1   20   20   14 o   6.2280   1.2060   7.1110   1.5960   5.3460   1.8100 1.765000 2.413000 
1 1 1   20   20   15 o   5.6250   1.2510   4.9360   1.7680   6.3130   1.7700 -1.377000 2.502000 
1 1 1   20   20   16 o   5.8980   1.2650   5.6280   1.7830   6.1670   1.7950 -0.5390000 2.530000 
1 1 1   20   20   17 o   6.0600   1.2430   5.1620   1.7990   6.9590   1.7160 -1.796000 2.486000 
1 1 1   20   20   18 o   6.2030   1.2630   5.2130   1.8310   7.1930   1.7390 -1.979000 2.525000 
1 1 1   20   20   19 o   3.8630   1.2120   3.3920   1.5800   4.3330   1.8380 -0.9411000 2.424000 
1 1 1   20   20   20 o   16.190   0.6038   16.210   0.8416   16.170   0.8660 0.3700000E-01 1.208000 
1 1 1   20   20   21 o   9.8680   1.0170   8.6860   1.5790   11.050   1.2830 -2.365000 2.035000 
1 1 1   20   20   22 f   4.3670   1.3270   3.7040   1.7270   5.0290   2.0140 -1.326000 2.653000 
1 1 1   20   20   23 o   3.6940   1.2270   3.8740   1.7950   3.5140   1.6720 0.3601000 2.454000 
1 1 1   20   20   24 o   6.0550   1.4130   6.0220   1.9620   6.0890   2.0330 -0.6742000E-01 2.826000 
1 1 1   20   20   25 o   3.5860   1.1980   3.9580   1.8110   3.2140   1.5690 0.7436000 2.396000 
1 1 1   20   20   26 o   3.4960   1.1370   3.9170   1.7300   3.0750   1.4750 0.8425000 2.274000 
1 1 1   20   20   27 o   2.5150   0.8964   2.4940   1.2570   2.5360   1.2780 -0.4244000E-01 1.793000 
1 1 1   20   20   28 o   1.8750   0.9768  ?   ?    1.8750   0.9768      ?      ? 
1 1 1   20   22    0 o   15.790   0.5082   15.920   0.7101   15.660   0.7271 0.2608000 1.016000 
1 1 1   20   22    1 o   12.650   0.6325   13.200   0.8427   12.100   0.9434 1.103000 1.265000 
1 1 1   20   22    2 o   7.7280   1.0800   6.9230   1.6030   8.5340   1.4480 -1.610000 2.160000 
1 1 1   20   22    3 o   44.560   0.3608   44.440   0.5012   44.690   0.5190 -0.2441000 0.7216000 
1 1 1   20   22    4 o   23.760   0.3885   23.440   0.5324   24.080   0.5659 -0.6389000 0.7770000 
1 1 1   20   22    5 o   11.540   0.7041   11.830   0.9263   11.240   1.0610 0.5886000 1.408000 
1 1 1   20   22    6 o   19.220   0.4508   19.250   0.6097   19.180   0.6641 0.6819000E-01 0.9015000 
1 1 1   20   22    7 o   18.920   0.4633   18.770   0.6314   19.060   0.6781 -0.2851000 0.9266000 
1 1 1   20   22    8 o   11.900   0.7033   11.930   0.9545   11.880   1.0330 0.4670000E-01 1.407000 
1 1 1   20   22    9 o   14.600   0.6536   14.500   0.8506   14.700   0.9927 -0.1988000 1.307000 
1 1 1   20   22   10 o   9.4780   0.9794   8.7350   1.3870   10.220   1.3830 -1.486000 1.959000 
1 1 1   20   22   11 o   13.740   0.6189   13.410   0.8435   14.070   0.9058 -0.6560000 1.238000 
1 1 1   20   22   12 o   18.990   0.4745   18.630   0.6363   19.340   0.7039 -0.7176000 0.9489000 
1 1 1   20   22   13 o   23.750   0.4205   23.810   0.5887   23.680   0.6005 0.1361000 0.8410000 
1 1 1   20   22   14 o   4.2760   1.2320   4.6860   1.7940   3.8660   1.6890 0.8202000 2.464000 
1 1 1   20   22   15 o   7.0690   1.2390   6.9690   1.7400   7.1700   1.7640 -0.2010000 2.478000 
1 1 1   20   22   16 o   3.3800   1.1250   3.0720   1.4770   3.6870   1.6980 -0.6153000 2.251000 
1 1 1   20   22   17 o   12.190   0.8753   11.680   1.2190   12.700   1.2570 -1.023000 1.751000 
1 1 1   20   22   18 o   9.4700   1.0350   9.6800   1.3980   9.2590   1.5270 0.4209000 2.070000 
1 1 1   20   22   19 o   5.8240   1.3070   7.0220   1.8170   4.6270   1.8800 2.395000 2.614000 
1 1 1   20   22   20 o   4.7410   1.2600   5.9000   1.8930   3.5820   1.6640 2.318000 2.520000 
1 1 1   20   22   21 o   4.8580   1.3490   6.3060   2.1470   3.4100   1.6360 2.896000 2.699000 
1 1 1   20   22   22 o   3.5070   1.1500   3.1880   1.5180   3.8270   1.7280 -0.6389000 2.300000 
1 1 1   20   22   23 o   3.4510   1.1650   3.0980   1.5120   3.8040   1.7740 -0.7064000 2.331000 
1 1 1   20   22   24 o   3.1700   1.0680   3.5460   1.6330   2.7930   1.3770 0.7530000 2.136000 
1 1 1   20   22   25 o   3.2120   1.0750   2.9790   1.4370   3.4440   1.5990 -0.4651000 2.150000 
1 1 1   20   22   26 o   2.1640   0.7877   2.2470   1.1570   2.0800   1.0700 0.1671000 1.575000 
1 1 1   20   24    0 o   21.140   0.4062   21.180   0.5645   21.090   0.5843 0.8250000E-01 0.8124000 
1 1 1   20   24    1 o   28.260   0.3539   28.020   0.4990   28.490   0.5020 -0.4653000 0.7078000 
1 1 1   20   24    2 o   4.8830   1.2630   4.2220   1.7010   5.5440   1.8670 -1.322000 2.525000 
1 1 1   20   24    3 f   13.230   0.6270   13.460   0.8348   13.000   0.9358 0.4621000 1.254000 
1 1 1   20   24    4 o   18.600   0.5509   18.820   0.7050   18.380   0.8467 0.4470000 1.102000 
1 1 1   20   24    5 o   9.3900   1.0170   8.6200   1.4460   10.160   1.4320 -1.539000 2.035000 
1 1 1   20   24    6 o   5.2560   1.3960   4.5840   1.9330   5.9280   2.0140 -1.344000 2.791000 
1 1 1   20   24    7 o   5.6490   1.1270   7.3950   1.4910   3.9040   1.6890 3.491000 2.253000 
1 1 1   20   24    8 f   16.140   0.5315   16.360   0.6960   15.930   0.8035 0.4396000 1.063000 
1 1 1   20   24    9 f   12.950   0.6684   13.530   0.8487   12.370   1.0330 1.158000 1.337000 
1 1 1   20   24   10 o   9.4000   0.9268   9.5220   1.2070   9.2790   1.4070 0.2427000 1.854000 
1 1 1   20   24   11 o   8.2000   1.1050   10.600   1.0990   5.8050   1.9170 4.790000 2.210000 
1 1 1   20   24   12 o   5.5330   1.2970   4.9040   1.7820   6.1610   1.8850 -1.257000 2.593000 
1 1 1   20   24   13 o   7.7760   1.2460   6.7870   1.8410   8.7650   1.6780 -1.978000 2.491000 
1 1 1   20   24   14 o   4.7900   1.3270   5.3810   1.9210   4.1980   1.8320 1.183000 2.654000 
1 1 1   20   24   15 o   4.8080   1.3150   4.4690   1.8000   5.1480   1.9180 -0.6789000 2.631000 
1 1 1   20   24   16 o   3.8660   1.2100   4.0460   1.7550   3.6860   1.6660 0.3601000 2.420000 
1 1 1   20   24   17 o   3.3630   1.1000   4.0320   1.7450   2.6940   1.3390 1.338000 2.200000 
1 1 1   20   24   18 o   5.8630   1.3700   6.6690   1.8780   5.0580   1.9960 1.611000 2.740000 
1 1 1   20   24   19 o   5.0690   1.3710   6.7010   2.1880   3.4370   1.6520 3.264000 2.742000 
1 1 1   20   24   20 o   4.3550   1.3640   4.3710   1.9150   4.3400   1.9420 0.3047000E-01 2.727000 
1 1 1   20   24   21 o   3.6410   1.2100   3.9920   1.8180   3.2890   1.5990 0.7038000 2.421000 
1 1 1   20   24   22 o   3.1990   1.0770   3.0040   1.4500   3.3940   1.5930 -0.3904000 2.154000 
1 1 1   20   24   23 o   2.9160   1.0030   2.9670   1.4340   2.8650   1.4020 0.1013000 2.005000 
1 1 1   20   24   24 o   2.7690   0.9759   2.8910   1.4280   2.6470   1.3310 0.2438000 1.952000 
1 1 1   20   26    0 o   16.260   0.5491   16.400   0.7972   16.120   0.7553 0.2875000 1.098000 
1 1 1   20   26    1 o   21.740   0.4574   21.450   0.5991   22.030   0.6913 -0.5805000 0.9148000 
1 1 1   20   26    2 o   9.3150   0.9537   8.4500   1.4030   10.180   1.2920 -1.729000 1.907000 
1 1 1   20   26    3 o   7.0050   1.2350   6.7400   1.7000   7.2690   1.7920 -0.5281000 2.470000 
1 1 1   20   26    4 o   6.3250   1.2460   7.3520   1.6100   5.2980   1.9030 2.054000 2.493000 
1 1 1   20   26    5 o   7.2470   1.2060   6.6060   1.7380   7.8890   1.6730 -1.283000 2.412000 
1 1 1   20   26    6 o   6.6300   1.2700   6.4670   1.7640   6.7940   1.8270 -0.3274000 2.540000 
1 1 1   20   26    7 o   6.0200   1.2970   5.6170   1.8000   6.4230   1.8680 -0.8057000 2.594000 
1 1 1   20   26    8 o   4.2480   1.2780   4.3360   1.8100   4.1590   1.8050 0.1766000 2.556000 
1 1 1   20   26    9 o   15.390   0.6854   14.060   1.0300   16.710   0.9047 -2.650000 1.371000 
1 1 1   20   26   10 o   5.9880   1.4290   5.4990   2.0070   6.4760   2.0350 -0.9766000 2.858000 
1 1 1   20   26   11 f   4.1230   1.2250   3.6220   1.6210   4.6250   1.8360 -1.003000 2.449000 
1 1 1   20   26   12 o   5.9730   1.1420   8.1570   1.5360   3.7890   1.6910 4.368000 2.285000 
1 1 1   20   26   13 o   10.250   0.9259   10.680   1.2150   9.8150   1.3970 0.8674000 1.852000 
1 1 1   20   26   14 o   4.0730   1.2400   3.6860   1.6600   4.4600   1.8430 -0.7743000 2.480000 
1 1 1   20   26   15 o   7.3170   1.2580   8.8670   1.5430   5.7680   1.9870 3.099000 2.516000 
1 1 1   20   26   16 o   4.0050   1.2930   3.9680   1.8100   4.0420   1.8460 -0.7389000E-01 2.586000 
1 1 1   20   26   17 o   3.6930   1.2610   4.0540   1.9300   3.3310   1.6230 0.7237000 2.522000 
1 1 1   20   26   18 o   4.2760   1.3140   3.3230   1.6080   5.2290   2.0790 -1.906000 2.628000 
1 1 1   20   26   19 o   3.9470   1.2240   4.5490   1.8670   3.3450   1.5820 1.203000 2.448000 
1 1 1   20   26   20 o   3.1550   1.0670   3.1960   1.5190   3.1140   1.4990 0.8247000E-01 2.134000 
1 1 1   20   26   21 o   2.6190   0.9202   2.9180   1.4180   2.3190   1.1740 0.5989000 1.840000 
1 1 1   20   26   22 o   1.8240   0.6720   1.8390   0.9581   1.8090   0.9425 0.2965000E-01 1.344000 
1 1 1   20   28    0 o   3.3610   1.1180   3.5970   1.6580   3.1260   1.5010 0.4711000 2.236000 
1 1 1   20   28    1 o   5.3250   1.2910   6.9640   1.9510   3.6860   1.6910 3.278000 2.582000 
1 1 1   20   28    2 o   9.1110   1.2090   9.6810   1.5370   8.5420   1.8650 1.139000 2.417000 
1 1 1   20   28    3 o   15.820   0.6852   15.230   0.9632   16.410   0.9749 -1.173000 1.370000 
1 1 1   20   28    4 o   9.2040   1.0350   9.5950   1.3230   8.8120   1.5920 0.7829000 2.070000 
1 1 1   20   28    5 o   13.990   0.6894   14.740   0.8518   13.250   1.0840 1.500000 1.379000 
1 1 1   20   28    6 o   8.9150   1.0910   9.1500   1.4090   8.6790   1.6670 0.4711000 2.183000 
1 1 1   20   28    7 o   3.8290   1.2040   3.5930   1.6220   4.0650   1.7800 -0.4729000 2.408000 
1 1 1   20   28    8 o   14.840   0.6391   15.520   0.8270   14.160   0.9746 1.369000 1.278000 
1 1 1   20   28    9 o   11.480   0.8265   12.120   1.0880   10.850   1.2440 1.263000 1.653000 
1 1 1   20   28   10 o   7.3080   1.2570   8.7650   1.5440   5.8510   1.9840 2.914000 2.514000 
1 1 1   20   28   11 o   7.5000   1.2370   5.6770   1.9520   9.3230   1.5210 -3.646000 2.474000 
1 1 1   20   28   12 f   7.9120   1.2520   8.4810   1.6200   7.3430   1.9100 1.139000 2.504000 
1 1 1   20   28   13 o   5.0600   1.4730   5.0570   2.0640   5.0630   2.1030 -0.6036000E-02 2.946000 
1 1 1   20   28   14 o   3.1290   1.1100   2.9410   1.4880   3.3170   1.6490 -0.3753000 2.221000 
1 1 1   20   28   15 o   3.1570   1.0860   2.5730   1.3000   3.7410   1.7400 -1.168000 2.172000 
1 1 1   20   28   16 o   3.2070   1.0800   3.0620   1.4690   3.3530   1.5830 -0.2904000 2.160000 
1 1 1   20   28   17 o   2.4750   0.8809   2.0930   1.0680   2.8560   1.4010 -0.7630000 1.762000 
1 1 1   20   28   18 o   3.0710   1.0420   2.7250   1.3400   3.4180   1.5960 -0.6930000 2.084000 
1 1 1   20   28   19 o   3.7560   1.2110   3.7030   1.6600   3.8090   1.7630 -0.1068000 2.422000 
1 1 1   20   30    0 o   8.3750   1.1410   8.4300   1.5790   8.3210   1.6480 0.1094000 2.282000 
1 1 1   20   30    1 o   5.1790   1.8910   5.1790   1.8910  ?   ?       ?      ? 
1 1 1   20   30    2 o   5.3220   1.3890   5.8190   1.9210   4.8250   2.0080 0.9945000 2.779000 
1 1 1   20   30    3 o   3.7510   1.2380   3.5280   1.6200   3.9730   1.8720 -0.4441000 2.476000 
1 1 1   20   30    4 o   5.6130   1.4820   5.6990   1.9350   5.5260   2.2460 0.1724000 2.965000 
1 1 1   20   30    5 o   5.5650   1.2870   7.2990   1.8130   3.8310   1.8280 3.468000 2.575000 
1 1 1   20   30    6 o   4.1560   1.2670   4.8230   1.8700   3.4890   1.7090 1.334000 2.533000 
1 1 1   20   30    7 o   4.3180   1.3270   4.6670   1.8680   3.9700   1.8860 0.6967000 2.654000 
1 1 1   20   30    8 o   4.5140   1.3980   4.8950   2.0060   4.1330   1.9480 0.7623000 2.796000 
1 1 1   20   30    9 o   4.4990   1.4790   4.4710   2.0200   4.5280   2.1620 -0.5652000E-01 2.958000 
1 1 1   20   30   10 o   4.8420   1.5850   4.2140   1.9660   5.4690   2.4860 -1.255000 3.170000 
1 1 1   20   30   11 o   3.3150   1.1760   3.2530   1.6150   3.3780   1.7090 -0.1243000 2.351000 
1 1 1   20   30   12 o   2.8800   1.0200   2.4750   1.2390   3.2840   1.6220 -0.8085000 2.041000 
1 1 1   20   30   13 o   3.2680   1.1010   2.2290   1.1300   4.3060   1.8910 -2.077000 2.203000 
1 1 1   20   30   14 o   3.1310   1.0630   3.3920   1.5780   2.8710   1.4230 0.5208000 2.125000 
1 1 1   20   30   15 o   2.7990   0.9729   2.9450   1.4220   2.6530   1.3290 0.2921000 1.946000 
1 1 1   20   32    0 o   5.8740   1.4660   5.7610   2.0350   5.9880   2.1120 -0.2268000 2.933000 
1 1 1   20   32    1 o   3.8580   1.2650   3.8910   1.7610   3.8250   1.8160 0.6651000E-01 2.530000 
1 1 1   20   32    2 o   3.8470   1.2880   4.1320   1.9100   3.5630   1.7280 0.5687000 2.576000 
1 1 1   20   32    3 o   3.8570   1.2960   3.7430   1.7900   3.9710   1.8740 -0.2281000 2.591000 
1 1 1   20   32    4 f   3.1790   1.0920   2.8700   1.4210   3.4880   1.6590 -0.6185000 2.184000 
1 1 1   20   32    5 o   2.8840   1.0120   2.6150   1.3150   3.1530   1.5390 -0.5388000 2.024000 
1 1 1   20   32    6 o   2.9020   1.0040   2.6270   1.3190   3.1780   1.5140 -0.5509000 2.008000 
1 1 1   20   32    7 o   2.8410   0.9799   2.9700   1.4340   2.7110   1.3360 0.2591000 1.960000 
1 1 1   20   32    8 o   2.9980   1.0220   3.3720   1.5730   2.6250   1.3040 0.7471000 2.043000 
1 1 1   20   32    9 o   3.3830   1.1100   3.7390   1.6750   3.0260   1.4570 0.7132000 2.220000 
1 1 1   20   32   10 f   2.4780   0.8750   2.2530   1.1400   2.7030   1.3280 -0.4502000 1.750000 
1 1 1   20   32   11 o   1.8110   0.9430  ?   ?    1.8110   0.9430      ?      ? 
1 1 1   20   34    0 o   2.2780   0.8203   2.0880   1.0680   2.4680   1.2450 -0.3807000 1.641000 
1 1 1   20   34    1 o   2.2150   0.8095   2.1080   1.0850   2.3210   1.2020 -0.2137000 1.619000 
1 1 1   20   34    2 o   2.0180   1.0470   2.0180   1.0470  ?   ?       ?      ? 
1 1 1   21    1    0 o   30.460   0.2462   30.390   0.3485   30.530   0.3479 -0.1383000 0.4924000 
1 1 1   21    1    1 o   16.670   0.2663   16.180   0.3878   17.160   0.3650 -0.9777000 0.5326000 
1 1 1   21    1    2 o   56.610   0.4202   56.990   0.5981   56.240   0.5904 0.7500000 0.8404000 
1 1 1   21    1    3 o   42.020   0.2806   41.720   0.3945   42.320   0.3993 -0.6027000 0.5613000 
1 1 1   21    1    4 o   34.840   0.2464   34.980   0.3492   34.710   0.3476 0.2737000 0.4927000 
1 1 1   21    1    5 o   16.580   0.2349   16.920   0.3282   16.240   0.3362 0.6751000 0.4699000 
1 1 1   21    1    6 o   7.7280   0.5456   7.9420   0.7678   7.5140   0.7754 0.4277000 1.091000 
1 1 1   21    1    7 f   12.540   0.4866   13.050   0.6491   12.030   0.7251 1.015000 0.9732000 
1 1 1   21    1    8 o   47.120   0.3190   47.270   0.4516   46.970   0.4506 0.2951000 0.6379000 
1 1 1   21    1    9 o   25.630   0.2524   25.670   0.3539   25.580   0.3599 0.8952000E-01 0.5048000 
1 1 1   21    1   10 o   35.450   0.2745   35.470   0.3875   35.430   0.3891 0.3248000E-01 0.5491000 
1 1 1   21    1   11 o   59.220   0.3923   59.340   0.5561   59.100   0.5536 0.2494000 0.7846000 
1 1 1   21    1   12 o   68.520   0.4480   68.300   0.6313   68.750   0.6359 -0.4544000 0.8960000 
1 1 1   21    1   13 o   48.990   0.3483   49.170   0.4932   48.810   0.4918 0.3552000 0.6966000 
1 1 1   21    1   14 o   35.450   0.4001   34.300   0.6629   36.600   0.4481 -2.304000 0.8001000 
1 1 1   21    1   15 o   34.250   0.3246   34.060   0.4592   34.440   0.4590 -0.3770000 0.6493000 
1 1 1   21    1   16 o   33.470   0.4520   33.850   0.6400   33.100   0.6385 0.7466000 0.9040000 
1 1 1   21    1   17 o   32.170   0.3344   32.450   0.4656   31.890   0.4801 0.5662000 0.6688000 
1 1 1   21    1   18 o   36.700   0.3368   36.540   0.4757   36.860   0.4770 -0.3207000 0.6737000 
1 1 1   21    1   19 o   16.870   0.4687   17.030   0.6633   16.700   0.6624 0.3350000 0.9374000 
1 1 1   21    1   20 o   6.4230   1.2600   5.6970   1.9200   7.1490   1.6320 -1.453000 2.520000 
1 1 1   21    1   21 o   10.550   1.0770   11.460   1.3890   9.6450   1.6450 1.810000 2.153000 
1 1 1   21    1   22 o   5.5880   1.1320   6.4010   1.5450   4.7760   1.6560 1.625000 2.265000 
1 1 1   21    1   23 o   18.930   0.4156   18.360   0.6020   19.490   0.5732 -1.128000 0.8313000 
1 1 1   21    1   24 o   2.7690   0.9326   2.8180   1.3340   2.7200   1.3040 0.9808000E-01 1.865000 
1 1 1   21    1   25 o   8.8410   0.8458   9.1920   1.1270   8.4900   1.2620 0.7022000 1.692000 
1 1 1   21    1   26 o   3.6220   1.0990   3.3420   1.4940   3.9020   1.6130 -0.5595000 2.199000 
1 1 1   21    1   27 o   3.2830   1.0550   2.8470   1.3540   3.7200   1.6180 -0.8727000 2.110000 
1 1 1   21    1   28 o   6.9690   1.2650   8.1820   1.6160   5.7550   1.9460 2.427000 2.529000 
1 1 1   21    1   29 o   3.3470   1.1460   3.6210   1.7170   3.0730   1.5180 0.5478000 2.292000 
1 1 1   21    1   30 o   5.6450   1.3270   4.6340   1.8420   6.6560   1.9120 -2.022000 2.655000 
1 1 1   21    1   31 o   7.3050   1.3130   7.8110   1.7500   6.7990   1.9590 1.012000 2.627000 
1 1 1   21    1   32 o   3.3180   1.1140   3.4250   1.6030   3.2120   1.5470 0.2130000 2.227000 
1 1 1   21    1   33 o   3.2570   1.1420   2.6160   1.3300   3.8980   1.8560 -1.282000 2.283000 
1 1 1   21    1   34 o   2.9020   0.9994   2.5920   1.2930   3.2110   1.5240 -0.6189000 1.999000 
1 1 1   21    3    0 o   24.440   0.1903   24.420   0.2687   24.450   0.2696 -0.2473000E-01 0.3806000 
1 1 1   21    3    1 f   29.940   0.2398   30.610   0.3125   29.260   0.3639 1.354000 0.4796000 
1 1 1   21    3    2 o   28.550   0.2566   29.050   0.3668   28.050   0.3588 0.9918000 0.5132000 
1 1 1   21    3    3 o   28.720   0.2214   28.780   0.3105   28.660   0.3157 0.1125000 0.4428000 
1 1 1   21    3    4 o   25.050   0.2384   25.360   0.3656   24.740   0.3062 0.6236000 0.4769000 
1 1 1   21    3    5 o   26.010   0.2555   26.420   0.3640   25.610   0.3587 0.8185000 0.5110000 
1 1 1   21    3    6 o   5.2130   0.7896   4.4870   1.2440   5.9390   0.9722 -1.453000 1.579000 
1 1 1   21    3    7 o   23.110   0.2894   23.550   0.3965   22.660   0.4217 0.8975000 0.5788000 
1 1 1   21    3    8 o   33.010   0.2616   33.010   0.3682   33.010   0.3717 -0.4951000E-02 0.5232000 
1 1 1   21    3    9 o   37.630   0.2807   37.600   0.3946   37.670   0.3994 -0.6977000E-01 0.5615000 
1 1 1   21    3   10 o   23.550   0.2744   23.840   0.3832   23.270   0.3929 0.5704000 0.5489000 
1 1 1   21    3   11 o   25.300   0.2837   25.350   0.3966   25.250   0.4057 0.1062000 0.5674000 
1 1 1   21    3   12 o   52.670   0.3631   52.140   0.5089   53.210   0.5180 -1.069000 0.7262000 
1 1 1   21    3   13 o   18.040   0.3798   17.660   0.5313   18.410   0.5428 -0.7484000 0.7596000 
1 1 1   21    3   14 o   21.920   0.3606   21.740   0.4984   22.100   0.5214 -0.3608000 0.7213000 
1 1 1   21    3   15 o   28.310   0.3718   28.000   0.5052   28.610   0.5456 -0.6126000 0.7436000 
1 1 1   21    3   16 o   15.000   0.6142   14.360   0.9156   15.650   0.8190 -1.295000 1.228000 
1 1 1   21    3   17 o   20.350   0.4904   19.910   0.5947   20.790   0.7799 -0.8829000 0.9808000 
1 1 1   21    3   18 o   6.2660   1.1980   6.3090   1.6610   6.2240   1.7280 0.8555000E-01 2.397000 
1 1 1   21    3   19 o   14.580   0.5314   15.580   0.6890   13.590   0.8091 1.990000 1.063000 
1 1 1   21    3   20 o   15.470   0.5957   14.910   0.8882   16.020   0.7942 -1.108000 1.191000 
1 1 1   21    3   21 f   4.6550   1.2580   4.7990   1.7490   4.5110   1.8090 0.2884000 2.516000 
1 1 1   21    3   22 o   9.1840   0.7984   9.1230   1.1180   9.2460   1.1400 -0.1237000 1.597000 
1 1 1   21    3   23 o   3.5960   1.0810   3.1450   1.4240   4.0470   1.6280 -0.9021000 2.163000 
1 1 1   21    3   24 o   7.0850   1.0290   5.4080   1.6600   8.7630   1.2160 -3.355000 2.057000 
1 1 1   21    3   25 o   3.0960   1.0040   2.6720   1.2760   3.5210   1.5500 -0.8483000 2.008000 
1 1 1   21    3   26 o   3.5510   1.0960   3.7910   1.5980   3.3120   1.5010 0.4794000 2.192000 
1 1 1   21    3   27 o   4.1240   1.1490   5.0340   1.7530   3.2140   1.4870 1.820000 2.298000 
1 1 1   21    3   28 o   4.1470   1.2710   4.3150   1.7980   3.9780   1.7960 0.3376000 2.542000 
1 1 1   21    3   29 o   4.1360   1.2490   3.2940   1.5640   4.9770   1.9480 -1.683000 2.498000 
1 1 1   21    3   30 f   3.4490   1.1270   4.0390   1.7650   2.8600   1.4000 1.179000 2.253000 
1 1 1   21    3   31 o   5.0690   1.1800   7.0950   1.8450   3.0430   1.4730 4.052000 2.361000 
1 1 1   21    3   32 f   4.4290   1.3540   3.7320   1.7480   5.1270   2.0680 -1.395000 2.707000 
1 1 1   21    3   33 o   3.8300   1.2470   3.9200   1.7810   3.7400   1.7450 0.1800000 2.493000 
1 1 1   21    3   34 o   3.2600   1.0830   2.7730   1.3650   3.7470   1.6830 -0.9735000 2.167000 
1 1 1   21    5    0 o   51.320   0.3339   51.280   0.4710   51.350   0.4733 -0.6876000E-01 0.6678000 
1 1 1   21    5    1 o   16.570   0.2685   16.640   0.3764   16.510   0.3830 0.1270000 0.5370000 
1 1 1   21    5    2 o   6.9960   0.5705   7.4910   0.7680   6.5010   0.8439 0.9900000 1.141000 
1 1 1   21    5    3 o   57.440   0.4289   57.290   0.6051   57.590   0.6081 -0.2974000 0.8579000 
1 1 1   21    5    4 o   52.900   0.4440   53.300   0.6882   52.500   0.5611 0.8068000 0.8879000 
1 1 1   21    5    5 o   6.5570   0.5810   5.9620   0.8805   7.1510   0.7582 -1.188000 1.162000 
1 1 1   21    5    6 o   25.900   0.2414   25.970   0.3385   25.830   0.3442 0.1446000 0.4828000 
1 1 1   21    5    7 o   37.190   0.3241   37.640   0.4539   36.740   0.4626 0.9026000 0.6481000 
1 1 1   21    5    8 o   31.870   0.2628   32.290   0.3705   31.440   0.3728 0.8542000 0.5256000 
1 1 1   21    5    9 o   70.360   0.4562   70.680   0.6477   70.040   0.6426 0.6347000 0.9124000 
1 1 1   21    5   10 o   36.060   0.2880   36.160   0.4071   35.960   0.4076 0.1979000 0.5761000 
1 1 1   21    5   11 o   57.980   0.3894   58.290   0.5529   57.670   0.5486 0.6121000 0.7789000 
1 1 1   21    5   12 o   35.320   0.4045   36.720   0.6460   33.920   0.4869 2.799000 0.8089000 
1 1 1   21    5   13 o   35.350   0.3131   35.910   0.4396   34.800   0.4459 1.109000 0.6261000 
1 1 1   21    5   14 o   31.200   0.4232   30.410   0.4938   31.990   0.6874 -1.574000 0.8464000 
1 1 1   21    5   15 o   16.040   0.5436   16.500   0.7138   15.570   0.8201 0.9281000 1.087000 
1 1 1   21    5   16 o   21.310   0.4720   21.140   0.6839   21.490   0.6506 -0.3452000 0.9439000 
1 1 1   21    5   17 o   19.470   0.4247   19.640   0.5777   19.310   0.6228 0.3265000 0.8495000 
1 1 1   21    5   18 o   9.0510   0.9102   10.010   1.1090   8.0880   1.4440 1.927000 1.820000 
1 1 1   21    5   19 o   8.0430   1.1200   9.0000   1.3980   7.0870   1.7500 1.914000 2.240000 
1 1 1   21    5   20 o   22.670   0.5698   22.470   0.7758   22.880   0.8348 -0.4102000 1.140000 
1 1 1   21    5   21 o   9.8230   0.9281   9.9430   1.1680   9.7020   1.4420 0.2412000 1.856000 
1 1 1   21    5   22 o   3.4390   1.0620   3.1820   1.4280   3.6960   1.5710 -0.5143000 2.123000 
1 1 1   21    5   23 f   11.020   0.6701   10.550   0.9782   11.500   0.9160 -0.9593000 1.340000 
1 1 1   21    5   24 o   6.0220   1.1510   5.1840   1.6990   6.8610   1.5540 -1.677000 2.302000 
1 1 1   21    5   25 o   7.0760   1.0630   7.4300   1.3870   6.7220   1.6100 0.7078000 2.125000 
1 1 1   21    5   26 o   4.4570   1.2170   4.4100   1.6960   4.5030   1.7470 -0.9263000E-01 2.435000 
1 1 1   21    5   27 o   4.0360   1.1960   3.9950   1.6740   4.0770   1.7080 -0.8169000E-01 2.392000 
1 1 1   21    5   28 o   5.7770   1.4610   6.6830   2.0920   4.8710   2.0400 1.813000 2.922000 
1 1 1   21    5   29 o   4.1110   1.2750   4.4220   1.8950   3.8000   1.7070 0.6223000 2.551000 
1 1 1   21    5   30 o   3.7970   1.2120   3.9570   1.7560   3.6380   1.6710 0.3188000 2.423000 
1 1 1   21    5   31 o   3.6310   1.1800   3.3900   1.5960   3.8720   1.7380 -0.4824000 2.360000 
1 1 1   21    5   32 o   3.8850   1.3090   4.4930   2.0430   3.2770   1.6370 1.216000 2.618000 
1 1 1   21    5   33 o   2.5600   0.9138   2.4340   1.2370   2.6850   1.3460 -0.2512000 1.828000 
1 1 1   21    5   34 o   2.3870   0.8514   2.5970   1.2950   2.1770   1.1060 0.4207000 1.703000 
1 1 1   21    7    0 o   46.650   0.4416   46.540   0.6239   46.760   0.6250 -0.2114000 0.8831000 
1 1 1   21    7    1 o   26.050   0.2289   26.620   0.3216   25.490   0.3257 1.124000 0.4578000 
1 1 1   21    7    2 o   62.050   0.4018   62.280   0.5694   61.820   0.5670 0.4629000 0.8035000 
1 1 1   21    7    3 o   55.710   0.3969   54.880   0.5945   56.540   0.5260 -1.662000 0.7938000 
1 1 1   21    7    4 o   74.380   0.4772   74.680   0.6771   74.080   0.6726 0.6029000 0.9544000 
1 1 1   21    7    5 o   19.670   0.2620   19.940   0.3635   19.410   0.3775 0.5315000 0.5241000 
1 1 1   21    7    6 o   37.370   0.3289   37.490   0.4599   37.260   0.4705 0.2274000 0.6579000 
1 1 1   21    7    7 o   46.310   0.3514   46.060   0.4542   46.560   0.5363 -0.4970000 0.7028000 
1 1 1   21    7    8 o   33.480   0.2773   33.900   0.3875   33.070   0.3968 0.8249000 0.5546000 
1 1 1   21    7    9 o   54.650   0.3700   54.600   0.5211   54.690   0.5254 -0.9045000E-01 0.7400000 
1 1 1   21    7   10 o   49.800   0.3492   49.950   0.4931   49.660   0.4944 0.2957000 0.6983000 
1 1 1   21    7   11 o   44.850   0.3641   44.320   0.4632   45.390   0.5619 -1.067000 0.7282000 
1 1 1   21    7   12 o   6.1280   1.0310   7.8400   1.2240   4.4150   1.6590 3.425000 2.062000 
1 1 1   21    7   13 o   7.2710   1.0690   6.8070   1.5150   7.7350   1.5090 -0.9279000 2.138000 
1 1 1   21    7   14 o   8.8420   0.9608   8.7860   1.2490   8.8990   1.4600 -0.1132000 1.922000 
1 1 1   21    7   15 o   22.120   0.4787   21.730   0.6863   22.520   0.6676 -0.7912000 0.9574000 
1 1 1   21    7   16 o   18.200   0.5521   18.600   0.7693   17.800   0.7922 0.8082000 1.104000 
1 1 1   21    7   17 o   16.210   0.5178   16.050   0.7215   16.370   0.7429 -0.3210000 1.036000 
1 1 1   21    7   18 o   14.800   0.5464   14.830   0.7412   14.770   0.8030 0.5865000E-01 1.093000 
1 1 1   21    7   19 o   18.180   0.5103   18.530   0.7163   17.840   0.7269 0.6958000 1.021000 
1 1 1   21    7   20 o   17.870   0.5344   18.160   0.6786   17.570   0.8257 0.5912000 1.069000 
1 1 1   21    7   21 o   13.150   0.5793   13.290   0.7687   13.010   0.8670 0.2769000 1.159000 
1 1 1   21    7   22 o   3.3900   1.0320   4.2280   1.6430   2.5520   1.2490 1.676000 2.064000 
1 1 1   21    7   23 o   5.4440   1.1920   5.4170   1.6470   5.4710   1.7220 -0.5432000E-01 2.383000 
1 1 1   21    7   24 o   3.8450   1.1370   3.4560   1.5220   4.2340   1.6900 -0.7778000 2.274000 
1 1 1   21    7   25 o   3.8790   1.1480   3.7170   1.5740   4.0420   1.6710 -0.3250000 2.295000 
1 1 1   21    7   26 o   9.2810   0.8944   9.3920   1.1720   9.1710   1.3520 0.2208000 1.789000 
1 1 1   21    7   27 o   3.8870   1.2120   3.5480   1.6020   4.2250   1.8180 -0.6768000 2.423000 
1 1 1   21    7   28 o   6.8560   1.3530   5.4670   1.9720   8.2460   1.8530 -2.779000 2.706000 
1 1 1   21    7   29 o   6.1310   1.3590   6.1820   1.8920   6.0790   1.9500 0.1027000 2.717000 
1 1 1   21    7   30 o   3.4740   1.1440   3.3260   1.5680   3.6220   1.6670 -0.2969000 2.289000 
1 1 1   21    7   31 o   7.9920   1.3200   5.1560   2.0790   10.830   1.6280 -5.672000 2.641000 
1 1 1   21    7   32 o   3.0010   1.5010   3.0010   1.5010  ?   ?       ?      ? 
1 1 1   21    7   33 o   2.7250   0.9546   3.2200   1.5370   2.2310   1.1330 0.9894000 1.909000 
1 1 1   21    9    0 o   59.930   0.3910   59.720   0.5508   60.130   0.5551 -0.4078000 0.7820000 
1 1 1   21    9    1 o   53.580   0.3567   53.520   0.5029   53.630   0.5060 -0.1137000 0.7134000 
1 1 1   21    9    2 o   49.250   0.3345   48.720   0.4671   49.790   0.4788 -1.069000 0.6689000 
1 1 1   21    9    3 o   56.970   0.3772   56.850   0.5312   57.090   0.5356 -0.2430000 0.7544000 
1 1 1   21    9    4 o   9.2180   0.6365   9.8440   0.8104   8.5930   0.9817 1.251000 1.273000 
1 1 1   21    9    5 o   12.180   0.5001   11.530   0.7060   12.840   0.7087 -1.303000 1.000000 
1 1 1   21    9    6 o   46.920   0.3313   47.170   0.4691   46.660   0.4680 0.5078000 0.6626000 
1 1 1   21    9    7 o   10.390   0.5267   10.720   0.7095   10.060   0.7785 0.6626000 1.053000 
1 1 1   21    9    8 o   71.910   0.4697   71.960   0.6641   71.860   0.6644 0.9827000E-01 0.9394000 
1 1 1   21    9    9 o   19.570   0.3523   19.940   0.4846   19.190   0.5115 0.7466000 0.7046000 
1 1 1   21    9   10 o   76.130   0.4979   76.240   0.7048   76.030   0.7035 0.2114000 0.9959000 
1 1 1   21    9   11 o   45.530   0.3682   45.660   0.5452   45.390   0.4949 0.2672000 0.7364000 
1 1 1   21    9   12 o   22.940   0.4819   23.760   0.5348   22.120   0.8019 1.647000 0.9639000 
1 1 1   21    9   13 o   11.870   0.7076   13.380   0.8218   10.350   1.1520 3.024000 1.415000 
1 1 1   21    9   14 o   25.250   0.4118   25.170   0.5256   25.330   0.6342 -0.1591000 0.8237000 
1 1 1   21    9   15 o   53.520   0.4559   53.720   0.6499   53.320   0.6396 0.4004000 0.9118000 
1 1 1   21    9   16 o   16.500   0.5083   16.790   0.6941   16.210   0.7428 0.5814000 1.017000 
1 1 1   21    9   17 o   29.960   0.3520   30.350   0.4866   29.570   0.5087 0.7711000 0.7039000 
1 1 1   21    9   18 o   18.590   0.5098   19.150   0.7115   18.040   0.7304 1.109000 1.020000 
1 1 1   21    9   19 o   13.290   0.5815   13.100   0.7976   13.480   0.8463 -0.3813000 1.163000 
1 1 1   21    9   20 o   7.8500   1.1410   8.9260   1.2790   6.7730   1.8890 2.153000 2.282000 
1 1 1   21    9   21 o   12.980   0.5798   14.060   0.7163   11.890   0.9118 2.169000 1.160000 
1 1 1   21    9   22 o   5.3760   1.1500   4.0340   1.6210   6.7190   1.6320 -2.685000 2.300000 
1 1 1   21    9   23 o   4.3430   1.1460   5.2350   1.7010   3.4520   1.5370 1.782000 2.292000 
1 1 1   21    9   24 o   6.1540   1.0900   4.2270   1.6700   8.0810   1.4030 -3.854000 2.181000 
1 1 1   21    9   25 o   6.8050   1.1560   6.5310   1.6260   7.0780   1.6430 -0.5474000 2.311000 
1 1 1   21    9   26 o   4.2810   1.2560   4.3010   1.7620   4.2600   1.7900 0.4099000E-01 2.512000 
1 1 1   21    9   27 o   4.3250   1.2590   3.5540   1.6210   5.0970   1.9280 -1.543000 2.519000 
1 1 1   21    9   28 o   4.4310   1.3050   5.1130   1.9650   3.7490   1.7190 1.364000 2.611000 
1 1 1   21    9   29 o   3.2160   1.0740   3.0840   1.4680   3.3470   1.5670 -0.2631000 2.148000 
1 1 1   21    9   30 o   4.6260   1.2480   3.1220   1.4940   6.1290   1.9990 -3.007000 2.495000 
1 1 1   21    9   31 o   3.6390   1.2100   3.7090   1.7370   3.5680   1.6860 0.1407000 2.421000 
1 1 1   21    9   32 o   3.5420   1.1560   2.3820   1.2130   4.7030   1.9690 -2.321000 2.312000 
1 1 1   21    9   33 o   2.5620   0.9047   2.7690   1.3640   2.3540   1.1890 0.4156000 1.809000 
1 1 1   21   11    0 o   27.460   0.2700   27.430   0.3795   27.480   0.3842 -0.4253000E-01 0.5400000 
1 1 1   21   11    1 o   78.330   0.5040   78.520   0.7140   78.140   0.7115 0.3774000 1.008000 
1 1 1   21   11    2 o   15.160   0.4424   14.400   0.6424   15.920   0.6084 -1.515000 0.8848000 
1 1 1   21   11    3 o   68.850   0.5203   70.150   0.7457   67.560   0.7259 2.588000 1.041000 
1 1 1   21   11    4 o   81.650   0.5261   81.840   0.7446   81.460   0.7434 0.3726000 1.052000 
1 1 1   21   11    5 o   19.820   0.3981   19.420   0.6244   20.220   0.4942 -0.8056000 0.7963000 
1 1 1   21   11    6 o   17.660   0.3808   17.200   0.5378   18.120   0.5393 -0.9207000 0.7616000 
1 1 1   21   11    7 o   17.440   0.3958   18.300   0.5221   16.570   0.5951 1.726000 0.7917000 
1 1 1   21   11    8 f   13.310   0.5349   13.800   0.7027   12.830   0.8068 0.9713000 1.070000 
1 1 1   21   11    9 o   26.210   0.3721   27.100   0.5049   25.310   0.5468 1.792000 0.7442000 
1 1 1   21   11   10 o   75.950   0.5746   75.740   0.8085   76.170   0.8166 -0.4346000 1.149000 
1 1 1   21   11   11 o   7.9060   1.0360   10.380   1.0340   5.4280   1.7950 4.957000 2.071000 
1 1 1   21   11   12 o   40.530   0.3468   40.590   0.4852   40.460   0.4957 0.1293000 0.6936000 
1 1 1   21   11   13 o   27.500   0.4108   27.490   0.5188   27.510   0.6371 -0.2411000E-01 0.8216000 
1 1 1   21   11   14 o   31.290   0.4286   30.990   0.6133   31.590   0.5988 -0.5997000 0.8572000 
1 1 1   21   11   15 o   8.5370   0.9723   9.4770   1.2080   7.5960   1.5240 1.881000 1.945000 
1 1 1   21   11   16 o   21.740   0.4725   21.830   0.6772   21.650   0.6591 0.1799000 0.9450000 
1 1 1   21   11   17 o   14.980   0.6220   15.080   0.8880   14.880   0.8712 0.2021000 1.244000 
1 1 1   21   11   18 o   16.470   0.4928   17.290   0.6581   15.650   0.7337 1.639000 0.9856000 
1 1 1   21   11   19 o   12.110   0.7532   11.730   0.9914   12.480   1.1340 -0.7573000 1.506000 
1 1 1   21   11   20 o   13.920   0.5620   14.770   0.6979   13.080   0.8811 1.692000 1.124000 
1 1 1   21   11   21 o   8.8320   0.8759   8.2050   1.2570   9.4590   1.2200 -1.254000 1.752000 
1 1 1   21   11   22 o   16.400   0.4961   17.170   0.6490   15.630   0.7505 1.547000 0.9921000 
1 1 1   21   11   23 o   12.080   0.6599   12.310   0.8769   11.850   0.9863 0.4607000 1.320000 
1 1 1   21   11   24 o   13.670   0.6004   13.050   0.8503   14.280   0.8478 -1.231000 1.201000 
1 1 1   21   11   25 o   4.9970   1.2670   5.4300   1.8060   4.5630   1.7780 0.8668000 2.535000 
1 1 1   21   11   26 o   11.580   0.8974   12.850   1.0470   10.300   1.4580 2.545000 1.795000 
1 1 1   21   11   27 o   3.7450   1.2200   3.3710   1.6060   4.1190   1.8380 -0.7477000 2.441000 
1 1 1   21   11   28 o   4.6310   1.3190   5.2100   1.9440   4.0510   1.7820 1.159000 2.637000 
1 1 1   21   11   29 o   5.4050   1.2340   7.2090   1.8150   3.6010   1.6720 3.608000 2.467000 
1 1 1   21   11   30 o   3.9740   1.2880   4.0500   1.8340   3.8980   1.8100 0.1519000 2.577000 
1 1 1   21   11   31 o   2.6490   0.9440   2.8240   1.4080   2.4740   1.2580 0.3499000 1.888000 
1 1 1   21   11   32 o   2.7100   0.9496   2.7870   1.3750   2.6340   1.3110 0.1529000 1.899000 
1 1 1   21   13    0 o   64.040   0.5224   64.010   0.8549   64.070   0.6007 -0.6019000E-01 1.045000 
1 1 1   21   13    1 o   18.150   0.4974   18.660   0.7728   17.630   0.6264 1.031000 0.9948000 
1 1 1   21   13    2 o   33.850   0.4043   34.850   0.6298   32.850   0.5071 2.001000 0.8086000 
1 1 1   21   13    3 o   37.720   0.3933   38.380   0.6448   37.060   0.4504 1.316000 0.7865000 
1 1 1   21   13    4 o   16.360   0.4492   16.440   0.6172   16.280   0.6529 0.1586000 0.8985000 
1 1 1   21   13    5 o   28.120   0.3285   28.340   0.4539   27.910   0.4750 0.4238000 0.6570000 
1 1 1   21   13    6 o   11.620   0.7147   11.950   0.9436   11.290   1.0740 0.6591000 1.429000 
1 1 1   21   13    7 o   16.760   0.5205   16.110   0.7272   17.400   0.7449 -1.297000 1.041000 
1 1 1   21   13    8 o   53.180   0.4366   52.910   0.6104   53.440   0.6245 -0.5342000 0.8733000 
1 1 1   21   13    9 o   26.780   0.3707   26.570   0.5142   26.980   0.5342 -0.4137000 0.7415000 
1 1 1   21   13   10 o   28.080   0.3652   27.820   0.5104   28.350   0.5224 -0.5325000 0.7303000 
1 1 1   21   13   11 o   40.530   0.3531   40.870   0.4983   40.190   0.5005 0.6769000 0.7063000 
1 1 1   21   13   12 o   22.790   0.5000   22.550   0.7276   23.040   0.6860 -0.4922000 1.000000 
1 1 1   21   13   13 o   25.460   0.4726   25.310   0.6712   25.610   0.6654 -0.2981000 0.9451000 
1 1 1   21   13   14 o   28.300   0.4195   28.240   0.5914   28.360   0.5952 -0.1176000 0.8391000 
1 1 1   21   13   15 o   4.5320   1.2140   3.0750   1.4630   5.9890   1.9370 -2.914000 2.427000 
1 1 1   21   13   16 o   10.630   0.7335   10.630   1.0180   10.640   1.0560 -0.4890000E-02 1.467000 
1 1 1   21   13   17 o   11.630   0.6624   11.780   0.9015   11.490   0.9709 0.2927000 1.325000 
1 1 1   21   13   18 o   9.1560   1.0910   10.120   1.1590   8.1910   1.8470 1.930000 2.181000 
1 1 1   21   13   19 o   20.270   0.4127   20.410   0.5664   20.120   0.6004 0.2913000 0.8255000 
1 1 1   21   13   20 o   4.4000   1.1810   3.8420   1.5970   4.9590   1.7410 -1.117000 2.362000 
1 1 1   21   13   21 o   10.490   0.7371   10.290   1.0090   10.680   1.0750 -0.3986000 1.474000 
1 1 1   21   13   22 o   3.8340   1.1450   3.9020   1.6220   3.7660   1.6160 0.1366000 2.290000 
1 1 1   21   13   23 o   6.4870   1.1900   6.0060   1.7260   6.9680   1.6380 -0.9622000 2.379000 
1 1 1   21   13   24 o   6.2070   1.3110   6.1750   1.8330   6.2400   1.8760 -0.6465000E-01 2.623000 
1 1 1   21   13   25 o   3.7420   1.1760   4.2130   1.7680   3.2720   1.5530 0.9406000 2.353000 
1 1 1   21   13   26 o   4.3940   1.3090   5.0590   1.9680   3.7290   1.7280 1.330000 2.619000 
1 1 1   21   13   27 o   3.5110   1.1690   3.4920   1.6520   3.5300   1.6550 -0.3790000E-01 2.338000 
1 1 1   21   13   28 o   3.2400   1.0910   2.8370   1.3910   3.6430   1.6800 -0.8060000 2.181000 
1 1 1   21   13   29 o   3.7170   1.2380   3.5510   1.6930   3.8840   1.8070 -0.3336000 2.476000 
1 1 1   21   13   30 o   2.6440   0.9300   2.5490   1.2750   2.7390   1.3550 -0.1893000 1.860000 
1 1 1   21   13   31 o   3.1980   1.1190   3.6660   1.7720   2.7290   1.3660 0.9369000 2.237000 
1 1 1   21   15    0 o   73.010   0.5545   72.880   0.7826   73.130   0.7857 -0.2568000 1.109000 
1 1 1   21   15    1 o   40.530   0.3810   40.990   0.5436   40.070   0.5340 0.9200000 0.7620000 
1 1 1   21   15    2 o   38.620   0.3850   38.440   0.5412   38.800   0.5476 -0.3625000 0.7699000 
1 1 1   21   15    3 o   66.740   0.5188   66.150   0.7284   67.330   0.7390 -1.180000 1.038000 
1 1 1   21   15    4 o   12.400   0.7588   12.470   1.0590   12.320   1.0870 0.1477000 1.518000 
1 1 1   21   15    5 o   26.410   0.4760   26.250   0.7821   26.580   0.5428 -0.3276000 0.9520000 
1 1 1   21   15    6 o   5.6770   1.4410   5.5850   2.1910   5.7690   1.8710 -0.1846000 2.882000 
1 1 1   21   15    7 o   60.130   0.5224   60.840   0.8584   59.420   0.5955 1.427000 1.045000 
1 1 1   21   15    8 o   34.430   0.4675   34.550   0.7793   34.310   0.5164 0.2458000 0.9349000 
1 1 1   21   15    9 o   32.010   0.4871   32.010   0.8206   32.010   0.5251 -0.7496000E-02 0.9742000 
1 1 1   21   15   10 o   20.870   0.6676   20.810   1.0780   20.930   0.7871 -0.1141000 1.335000 
1 1 1   21   15   11 f   14.440   0.9079   14.820   1.4520   14.070   1.0910 0.7433000 1.816000 
1 1 1   21   15   12 o   15.210   1.3430   15.920   2.4960   14.500   0.9955 1.419000 2.687000 
1 1 1   21   15   13 o   9.0100   1.8420   11.350   3.1530   6.6670   1.9030 4.685000 3.683000 
1 1 1   21   15   14 o   6.5320   1.3790   5.5890   2.2280   7.4750   1.6260 -1.886000 2.758000 
1 1 1   21   15   15 o   5.5370   1.3970   6.8930   2.2100   4.1810   1.7090 2.712000 2.794000 
1 1 1   21   15   16 o   6.3560   1.2370   4.5890   1.9880   8.1220   1.4730 -3.533000 2.474000 
1 1 1   21   15   17 o   10.780   1.0630   10.200   1.7160   11.360   1.2540 -1.157000 2.125000 
1 1 1   21   15   18 o   13.810   0.6845   13.390   1.0900   14.220   0.8280 -0.8239000 1.369000 
1 1 1   21   15   19 o   3.6490   1.1140   4.1210   1.6790   3.1780   1.4650 0.9436000 2.229000 
1 1 1   21   15   20 o   17.060   0.5000   17.300   0.6748   16.810   0.7380 0.4927000 1.000000 
1 1 1   21   15   21 o   16.150   0.5261   16.140   0.7216   16.150   0.7658 -0.1505000E-01 1.052000 
1 1 1   21   15   22 o   5.1350   1.2820   4.5850   1.7630   5.6850   1.8630 -1.101000 2.565000 
1 1 1   21   15   23 o   8.6340   1.1280   8.9880   1.4390   8.2810   1.7380 0.7070000 2.257000 
1 1 1   21   15   24 o   7.3350   1.2280   9.2420   1.4630   5.4280   1.9740 3.813000 2.457000 
1 1 1   21   15   25 o   4.6100   1.3700   4.3540   1.8710   4.8650   2.0010 -0.5110000 2.740000 
1 1 1   21   15   26 o   5.2790   1.4530   5.4570   2.0600   5.1000   2.0500 0.3567000 2.906000 
1 1 1   21   15   27 o   4.7860   1.3390   5.3360   1.9670   4.2360   1.8180 1.100000 2.678000 
1 1 1   21   15   28 o   3.1460   1.0880   2.9820   1.4780   3.3090   1.5980 -0.3265000 2.177000 
1 1 1   21   15   29 o   3.1230   1.0540   3.7200   1.6880   2.5250   1.2630 1.195000 2.108000 
1 1 1   21   15   30 o   2.8770   1.0080   3.4280   1.6310   2.3250   1.1840 1.103000 2.016000 
1 1 1   21   15   31 o   1.2910   0.6742   1.2910   0.6742  ?   ?       ?      ? 
1 1 1   21   17    0 o   51.620   0.3796   52.050   0.5382   51.200   0.5354 0.8522000 0.7591000 
1 1 1   21   17    1 o   23.700   0.4320   22.940   0.6611   24.460   0.5562 -1.517000 0.8640000 
1 1 1   21   17    2 o   31.480   0.3566   31.770   0.4940   31.200   0.5143 0.5694000 0.7132000 
1 1 1   21   17    3 o   44.540   0.3609   44.050   0.5031   45.030   0.5175 -0.9860000 0.7218000 
1 1 1   21   17    4 o   10.580   0.8422   10.910   1.1030   10.250   1.2730 0.6591000 1.684000 
1 1 1   21   17    5 o   16.470   0.5456   15.760   0.7729   17.180   0.7703 -1.413000 1.091000 
1 1 1   21   17    6 o   12.740   0.7070   12.860   0.9458   12.620   1.0510 0.2461000 1.414000 
1 1 1   21   17    7 o   28.850   0.3779   29.000   0.5133   28.700   0.5547 0.3025000 0.7558000 
1 1 1   21   17    8 o   23.610   0.5090   23.620   0.7066   23.590   0.7328 0.3422000E-01 1.018000 
1 1 1   21   17    9 o   8.9760   1.5350   8.7020   2.3870   9.2500   1.9320 -0.5473000 3.071000 
1 1 1   21   17   10 o   16.490   0.6068   17.160   0.8147   15.810   0.8995 1.347000 1.214000 
1 1 1   21   17   11 o   19.110   0.4749   19.550   0.6321   18.660   0.7089 0.8853000 0.9497000 
1 1 1   21   17   12 o   14.540   0.5812   14.670   0.7976   14.420   0.8455 0.2474000 1.162000 
1 1 1   21   17   13 o   5.7000   1.2380   4.8030   1.7440   6.5960   1.7570 -1.793000 2.475000 
1 1 1   21   17   14 o   10.870   0.7590   11.260   1.0040   10.480   1.1390 0.7729000 1.518000 
1 1 1   21   17   15 o   16.720   0.5951   16.760   0.7809   16.670   0.8981 0.9071000E-01 1.190000 
1 1 1   21   17   16 o   14.460   0.6831   15.100   0.8591   13.820   1.0620 1.280000 1.366000 
1 1 1   21   17   17 o   3.9170   1.1440   3.2260   1.4810   4.6090   1.7430 -1.383000 2.287000 
1 1 1   21   17   18 o   3.6820   1.0950   4.6890   1.7600   2.6750   1.3040 2.013000 2.191000 
1 1 1   21   17   19 o   9.3830   0.9384   10.710   1.1740   8.0590   1.4640 2.648000 1.877000 
1 1 1   21   17   20 o   11.650   0.9355   12.220   1.5320   11.090   1.0730 1.126000 1.871000 
1 1 1   21   17   21 o   4.4180   1.3650   5.0850   2.1620   3.7500   1.6690 1.335000 2.731000 
1 1 1   21   17   22 o   6.3700   1.4870   5.2910   2.2980   7.4490   1.8870 -2.158000 2.973000 
1 1 1   21   17   23 o   5.5220   1.3520   4.4350   1.9510   6.6090   1.8710 -2.174000 2.703000 
1 1 1   21   17   24 o   4.9580   1.4530   5.5050   2.2010   4.4100   1.8970 1.095000 2.906000 
1 1 1   21   17   25 o   4.2760   1.3500   3.9960   1.8630   4.5550   1.9530 -0.5590000 2.700000 
1 1 1   21   17   26 o   3.5450   1.1920   3.4610   1.7010   3.6290   1.6700 -0.1671000 2.384000 
1 1 1   21   17   27 o   3.5720   1.2570   3.9540   1.9730   3.1910   1.5590 0.7634000 2.514000 
1 1 1   21   17   28 o   2.8500   1.0030   2.9430   1.4780   2.7570   1.3560 0.1863000 2.005000 
1 1 1   21   17   29 o   3.1760   1.0900   2.6440   1.3390   3.7080   1.7210 -1.065000 2.180000 
1 1 1   21   19    0 o   13.680   0.6278   13.920   0.8630   13.450   0.9119 0.4779000 1.256000 
1 1 1   21   19    1 o   14.920   0.5769   15.270   0.7866   14.570   0.8442 0.6959000 1.154000 
1 1 1   21   19    2 o   34.260   0.3543   34.040   0.4896   34.480   0.5123 -0.4440000 0.7086000 
1 1 1   21   19    3 o   16.800   0.5919   16.090   0.8528   17.520   0.8209 -1.428000 1.184000 
1 1 1   21   19    4 o   22.160   0.6260   22.120   0.9048   22.190   0.8653 -0.7316000E-01 1.252000 
1 1 1   21   19    5 o   16.280   0.7960   15.350   1.2050   17.220   1.0400 -1.877000 1.592000 
1 1 1   21   19    6 f   20.950   0.6517   21.860   0.8991   20.030   0.9438 1.830000 1.303000 
1 1 1   21   19    7 o   13.140   0.6884   13.550   0.8384   12.730   1.0920 0.8289000 1.377000 
1 1 1   21   19    8 o   6.1650   1.2190   5.2340   1.7340   7.0970   1.7140 -1.863000 2.438000 
1 1 1   21   19    9 o   21.570   0.4143   21.580   0.5550   21.560   0.6154 0.1639000E-01 0.8287000 
1 1 1   21   19   10 o   5.8980   1.2160   4.9310   1.7200   6.8650   1.7190 -1.934000 2.432000 
1 1 1   21   19   11 o   16.450   0.5229   16.680   0.7101   16.230   0.7676 0.4458000 1.046000 
1 1 1   21   19   12 o   19.640   0.4516   19.990   0.6179   19.280   0.6588 0.7084000 0.9032000 
1 1 1   21   19   13 o   27.280   0.4310   27.380   0.5792   27.190   0.6383 0.1955000 0.8619000 
1 1 1   21   19   14 o   4.9010   1.3230   4.2180   1.7500   5.5850   1.9860 -1.367000 2.647000 
1 1 1   21   19   15 o   7.4120   1.0960   7.0850   1.5800   7.7390   1.5200 -0.6540000 2.192000 
1 1 1   21   19   16 f   5.3700   1.2680   5.3200   1.7650   5.4200   1.8220 -0.1003000 2.537000 
1 1 1   21   19   17 o   3.7560   1.1480   3.5320   1.5560   3.9810   1.6870 -0.4492000 2.295000 
1 1 1   21   19   18 o   12.090   0.6956   12.090   0.9609   12.090   1.0060 -0.1161000E-02 1.391000 
1 1 1   21   19   19 o   10.070   0.9096   11.660   1.0170   8.4880   1.5080 3.170000 1.819000 
1 1 1   21   19   20 o   6.1260   1.3580   6.7730   1.8620   5.4780   1.9760 1.295000 2.715000 
1 1 1   21   19   21 o   12.020   0.7761   12.290   1.0490   11.750   1.1440 0.5374000 1.552000 
1 1 1   21   19   22 o   8.3450   1.1620   10.460   1.2420   6.2300   1.9650 4.229000 2.325000 
1 1 1   21   19   23 o   4.1430   1.3150   3.8800   1.7900   4.4060   1.9270 -0.5254000 2.630000 
1 1 1   21   19   24 o   3.7210   1.1990   3.9020   1.7360   3.5400   1.6550 0.3624000 2.398000 
1 1 1   21   19   25 o   8.8330   1.3630   9.5660   1.7820   8.1000   2.0620 1.466000 2.725000 
1 1 1   21   19   26 o   3.0120   1.0490   2.7250   1.3640   3.2990   1.5940 -0.5742000 2.098000 
1 1 1   21   19   27 o   2.7260   0.9487   2.3040   1.1650   3.1480   1.4980 -0.8443000 1.897000 
1 1 1   21   19   28 f   2.4130   0.8651   2.2280   1.1380   2.5980   1.3030 -0.3697000 1.730000 
1 1 1   21   21    0 o   17.360   0.5579   18.260   0.7752   16.460   0.8024 1.800000 1.116000 
1 1 1   21   21    1 o   39.440   0.3979   39.730   0.5710   39.150   0.5544 0.5804000 0.7959000 
1 1 1   21   21    2 o   14.370   0.5942   14.530   0.7867   14.210   0.8907 0.3235000 1.188000 
1 1 1   21   21    3 o   20.140   0.4435   20.100   0.5984   20.190   0.6549 -0.8301000E-01 0.8871000 
1 1 1   21   21    4 o   13.240   0.6161   12.330   0.8839   14.140   0.8585 -1.814000 1.232000 
1 1 1   21   21    5 o   28.010   0.3608   27.930   0.4918   28.090   0.5281 -0.1524000 0.7216000 
1 1 1   21   21    6 o   19.300   0.4513   19.020   0.6198   19.570   0.6561 -0.5425000 0.9026000 
1 1 1   21   21    7 o   5.0220   1.2500   4.2890   1.6830   5.7550   1.8490 -1.466000 2.500000 
1 1 1   21   21    8 f   27.350   0.3665   27.620   0.4934   27.070   0.5421 0.5551000 0.7330000 
1 1 1   21   21    9 o   12.840   0.6273   11.790   0.9114   13.880   0.8621 -2.090000 1.255000 
1 1 1   21   21   10 o   15.540   0.6017   15.490   0.7826   15.580   0.9142 -0.9149000E-01 1.203000 
1 1 1   21   21   11 o   7.7380   1.1640   6.2720   1.7480   9.2040   1.5380 -2.933000 2.328000 
1 1 1   21   21   12 o   13.760   0.6995   13.470   1.0830   14.060   0.8855 -0.5941000 1.399000 
1 1 1   21   21   13 o   13.190   0.6579   13.050   0.9202   13.320   0.9406 -0.2722000 1.316000 
1 1 1   21   21   14 o   5.2080   1.2900   5.1420   1.8050   5.2730   1.8450 -0.1314000 2.581000 
1 1 1   21   21   15 o   6.9230   1.2090   8.0840   1.4960   5.7630   1.8990 2.321000 2.417000 
1 1 1   21   21   16 o   9.3820   0.9802   8.5940   1.4640   10.170   1.3040 -1.576000 1.960000 
1 1 1   21   21   17 o   11.150   0.9037   11.010   1.2490   11.290   1.3060 -0.2791000 1.807000 
1 1 1   21   21   18 o   11.000   0.9279   10.820   1.2760   11.190   1.3470 -0.3649000 1.856000 
1 1 1   21   21   19 o   10.150   1.0350   12.510   1.0650   7.7970   1.7750 4.711000 2.070000 
1 1 1   21   21   20 o   8.5720   1.1410   8.7550   1.5380   8.3890   1.6860 0.3662000 2.282000 
1 1 1   21   21   21 o   5.8210   1.3190   7.2620   1.8050   4.3800   1.9240 2.882000 2.638000 
1 1 1   21   21   22 o   3.9310   1.2700   3.4290   1.6440   4.4320   1.9380 -1.004000 2.541000 
1 1 1   21   21   23 o   4.3060   1.3200   3.2980   1.5900   5.3130   2.1090 -2.015000 2.641000 
1 1 1   21   21   24 o   3.2740   1.1210   3.5250   1.6730   3.0240   1.4910 0.5008000 2.241000 
1 1 1   21   21   25 o   3.4050   1.1290   3.2920   1.5530   3.5170   1.6400 -0.2248000 2.258000 
1 1 1   21   21   26 o   2.6640   0.9400   2.5740   1.2830   2.7550   1.3750 -0.1810000 1.880000 
1 1 1   21   23    0 o   16.580   0.4901   16.340   0.6946   16.810   0.6917 -0.4640000 0.9803000 
1 1 1   21   23    1 o   35.130   0.3377   35.110   0.4743   35.140   0.4809 -0.3272000E-01 0.6754000 
1 1 1   21   23    2 o   14.200   0.5965   14.980   0.7566   13.430   0.9223 1.553000 1.193000 
1 1 1   21   23    3 o   3.5110   1.1100   3.2280   1.4770   3.7940   1.6590 -0.5659000 2.221000 
1 1 1   21   23    4 o   13.490   0.6325   14.970   0.7389   12.000   1.0270 2.966000 1.265000 
1 1 1   21   23    5 o   29.690   0.3515   29.740   0.4812   29.630   0.5125 0.1103000 0.7030000 
1 1 1   21   23    6 o   14.140   0.5918   14.430   0.7808   13.840   0.8895 0.5924000 1.184000 
1 1 1   21   23    7 o   10.420   0.9732   12.250   0.9794   8.5860   1.6820 3.666000 1.946000 
1 1 1   21   23    8 o   4.4690   1.2970   4.0330   1.7070   4.9040   1.9520 -0.8713000 2.593000 
1 1 1   21   23    9 o   13.290   0.6391   13.080   0.8677   13.490   0.9384 -0.4144000 1.278000 
1 1 1   21   23   10 o   15.550   0.5527   15.750   0.7347   15.350   0.8259 0.4013000 1.105000 
1 1 1   21   23   11 o   4.9990   1.2490   5.5550   1.7410   4.4430   1.7900 1.112000 2.497000 
1 1 1   21   23   12 o   4.8340   1.1700   6.1910   1.7160   3.4770   1.5910 2.714000 2.340000 
1 1 1   21   23   13 o   7.5070   1.1460   7.2170   1.6380   7.7970   1.6030 -0.5796000 2.292000 
1 1 1   21   23   14 o   4.6360   1.2770   3.3610   1.5580   5.9110   2.0230 -2.550000 2.554000 
1 1 1   21   23   15 o   7.2700   1.3120   5.8740   1.9170   8.6660   1.7930 -2.791000 2.625000 
1 1 1   21   23   16 o   9.6940   0.9826   9.1590   1.4480   10.230   1.3290 -1.071000 1.965000 
1 1 1   21   23   17 o   12.310   0.7926   12.700   1.0500   11.930   1.1870 0.7752000 1.585000 
1 1 1   21   23   18 o   3.3800   1.1180   3.3500   1.5610   3.4110   1.6000 -0.6175000E-01 2.235000 
1 1 1   21   23   19 o   3.4240   1.1240   2.6580   1.3130   4.1890   1.8250 -1.531000 2.248000 
1 1 1   21   23   20 o   3.6860   1.2240   3.8410   1.7850   3.5310   1.6760 0.3100000 2.449000 
1 1 1   21   23   21 f   4.5360   1.3390   3.4110   1.6290   5.6620   2.1240 -2.251000 2.677000 
1 1 1   21   23   22 o   4.0230   1.2880   4.3360   1.9100   3.7100   1.7280 0.6264000 2.575000 
1 1 1   21   23   23 o   3.5120   1.1490   3.0210   1.4600   4.0030   1.7740 -0.9824000 2.298000 
1 1 1   21   23   24 o   3.0270   1.0220   3.7350   1.6740   2.3190   1.1730 1.416000 2.044000 
1 1 1   21   23   25 o   2.3720   0.8643   2.4100   1.2350   2.3330   1.2100 0.7759000E-01 1.729000 
1 1 1   21   25    0 o   19.780   0.5030   20.190   0.6863   19.360   0.7356 0.8315000 1.006000 
1 1 1   21   25    1 o   18.790   0.5294   18.530   0.7348   19.060   0.7623 -0.5284000 1.059000 
1 1 1   21   25    2 o   7.0690   1.3160   7.5090   1.6960   6.6290   2.0140 0.8801000 2.633000 
1 1 1   21   25    3 o   4.6620   1.3200   4.8140   1.8370   4.5090   1.8970 0.3055000 2.640000 
1 1 1   21   25    4 f   10.430   0.9263   10.120   1.2210   10.750   1.3930 -0.6310000 1.853000 
1 1 1   21   25    5 o   3.7930   1.1350   4.4820   1.7280   3.1040   1.4720 1.378000 2.270000 
1 1 1   21   25    6 o   5.0420   1.2770   4.9990   1.7530   5.0860   1.8570 -0.8726000E-01 2.554000 
1 1 1   21   25    7 f   7.6120   1.1150   6.6040   1.6670   8.6210   1.4820 -2.018000 2.231000 
1 1 1   21   25    8 o   6.7660   1.2330   6.7560   1.6900   6.7750   1.7970 -0.1949000E-01 2.466000 
1 1 1   21   25    9 o   4.8470   1.2350   5.7090   1.7760   3.9840   1.7160 1.724000 2.470000 
1 1 1   21   25   10 o   3.3730   1.1190   3.5600   1.6340   3.1860   1.5300 0.3747000 2.239000 
1 1 1   21   25   11 o   5.6230   1.4150   5.5300   1.9510   5.7170   2.0510 -0.1870000 2.830000 
1 1 1   21   25   12 o   9.9040   1.0280   9.3370   1.4740   10.470   1.4340 -1.135000 2.056000 
1 1 1   21   25   13 f   9.6390   1.0210   11.630   1.0770   7.6490   1.7350 3.982000 2.042000 
1 1 1   21   25   14 o   8.5440   1.1240   9.0650   1.4700   8.0230   1.6990 1.043000 2.247000 
1 1 1   21   25   15 o   8.2190   1.1790   9.2900   1.4300   7.1480   1.8730 2.142000 2.357000 
1 1 1   21   25   16 o   6.3970   1.2870   7.9270   1.7040   4.8680   1.9300 3.059000 2.574000 
1 1 1   21   25   17 o   5.6280   1.3770   3.8500   1.7210   7.4070   2.1510 -3.557000 2.754000 
1 1 1   21   25   18 o   4.1170   1.3180   3.6560   1.7280   4.5780   1.9900 -0.9215000 2.635000 
1 1 1   21   25   19 o   3.8850   1.2670   3.9660   1.8120   3.8040   1.7700 0.1624000 2.534000 
1 1 1   21   25   20 o   5.0130   1.3210   6.1500   1.9790   3.8760   1.7520 2.274000 2.643000 
1 1 1   21   25   21 o   3.5630   1.1580   3.8520   1.7140   3.2750   1.5570 0.5772000 2.316000 
1 1 1   21   25   22 o   2.4340   0.8661   2.2470   1.1380   2.6210   1.3060 -0.3735000 1.732000 
1 1 1   21   25   23 o   2.2050   0.8104   2.0970   1.0900   2.3130   1.2000 -0.2161000 1.621000 
1 1 1   21   27    0 o   8.3500   1.0470   8.0060   1.5090   8.6930   1.4520 -0.6867000 2.094000 
1 1 1   21   27    1 o   14.870   0.6821   14.170   0.9978   15.560   0.9304 -1.385000 1.364000 
1 1 1   21   27    2 o   9.6650   1.0590   9.4210   1.4880   9.9090   1.5070 -0.4879000 2.118000 
1 1 1   21   27    3 o   14.180   0.7449   13.070   1.0920   15.290   1.0130 -2.218000 1.490000 
1 1 1   21   27    4 o   22.840   0.5079   23.210   0.6824   22.480   0.7524 0.7263000 1.016000 
1 1 1   21   27    5 o   12.200   0.8661   12.620   1.1270   11.770   1.3150 0.8554000 1.732000 
1 1 1   21   27    6 o   6.4860   1.4370   6.5500   1.9800   6.4220   2.0830 0.1279000 2.874000 
1 1 1   21   27    7 o   4.2310   1.2970   4.3010   1.8390   4.1610   1.8280 0.1400000 2.593000 
1 1 1   21   27    8 o   9.8540   0.9462   9.8720   1.2850   9.8360   1.3890 0.3563000E-01 1.892000 
1 1 1   21   27    9 o   9.0960   1.0660   10.370   1.2340   7.8240   1.7400 2.543000 2.133000 
1 1 1   21   27   10 o   13.480   0.7076   13.170   0.9992   13.780   1.0020 -0.6091000 1.415000 
1 1 1   21   27   11 o   12.550   0.7622   12.000   1.0890   13.090   1.0670 -1.083000 1.524000 
1 1 1   21   27   12 o   3.9840   1.2350   3.8130   1.6980   4.1550   1.7930 -0.3422000 2.470000 
1 1 1   21   27   13 o   6.0340   1.3660   6.5140   1.8850   5.5540   1.9790 0.9603000 2.733000 
1 1 1   21   27   14 o   6.4400   1.2700   8.2280   1.6670   4.6530   1.9170 3.575000 2.541000 
1 1 1   21   27   15 o   3.4830   1.2130   3.6190   1.7710   3.3470   1.6570 0.2720000 2.425000 
1 1 1   21   27   16 f   5.6810   1.5740   4.0000   1.9160   7.3610   2.4970 -3.361000 3.147000 
1 1 1   21   27   17 o   3.1720   1.0930   3.2470   1.5680   3.0970   1.5220 0.1505000 2.186000 
1 1 1   21   27   18 o   4.0670   1.2660   3.7140   1.7070   4.4210   1.8710 -0.7072000 2.532000 
1 1 1   21   27   19 o   3.5620   1.1520   4.0200   1.7490   3.1040   1.4990 0.9154000 2.304000 
1 1 1   21   27   20 o   3.0090   1.0270   2.6820   1.3250   3.3360   1.5700 -0.6544000 2.054000 
1 1 1   21   29    0 o   5.3630   1.3040   4.5490   1.8040   6.1780   1.8820 -1.629000 2.607000 
1 1 1   21   29    1 o   5.0620   1.4370   3.9750   1.7220   6.1480   2.3000 -2.173000 2.873000 
1 1 1   21   29    2 f   5.1560   1.3470   6.2310   1.8930   4.0800   1.9180 2.152000 2.695000 
1 1 1   21   29    3 o   5.4850   1.4020   6.3040   1.8800   4.6650   2.0800 1.639000 2.804000 
1 1 1   21   29    4 f   7.1840   1.4750   6.7690   1.8440   7.6000   2.3020 -0.8311000 2.950000 
1 1 1   21   29    5 o   6.1590   1.4730   6.4560   1.8840   5.8620   2.2650 0.5935000 2.946000 
1 1 1   21   29    6 o   3.6570   1.2050   3.6850   1.6610   3.6300   1.7460 0.5499000E-01 2.410000 
1 1 1   21   29    7 o   5.2540   1.4590   4.6750   1.8340   5.8330   2.2700 -1.158000 2.919000 
1 1 1   21   29    8 o   5.1050   1.4230   5.4350   1.9180   4.7750   2.1010 0.6597000 2.845000 
1 1 1   21   29    9 o   7.8460   1.4780   7.4620   1.7810   8.2290   2.3590 -0.7672000 2.956000 
1 1 1   21   29   10 o   5.0550   1.3400   6.2770   1.9490   3.8330   1.8380 2.443000 2.679000 
1 1 1   21   29   11 o   4.2390   1.4150   4.0280   1.8270   4.4500   2.1600 -0.4224000 2.829000 
1 1 1   21   29   12 o   3.7690   1.2980   4.1290   1.9380   3.4080   1.7290 0.7214000 2.597000 
1 1 1   21   29   13 o   3.9350   1.3780   3.3860   1.6750   4.4840   2.1870 -1.098000 2.755000 
1 1 1   21   29   14 o   2.8140   0.9822   2.9290   1.4240   2.6990   1.3530 0.2300000 1.964000 
1 1 1   21   29   15 o   2.6840   0.9468   2.5200   1.2580   2.8490   1.4150 -0.3287000 1.894000 
1 1 1   21   29   16 f   2.6020   0.9162   2.8270   1.3800   2.3760   1.2050 0.4515000 1.832000 
1 1 1   21   29   17 o   2.6410   0.9266   3.1050   1.4810   2.1770   1.1140 0.9279000 1.853000 
1 1 1   21   31    0 o   15.140   0.6515   15.700   0.8434   14.580   0.9933 1.120000 1.303000 
1 1 1   21   31    1 o   9.8880   1.0930   10.410   1.2410   9.3700   1.8000 1.037000 2.186000 
1 1 1   21   31    2 o   5.4760   1.3540   3.7150   1.7120   7.2370   2.0970 -3.522000 2.707000 
1 1 1   21   31    3 o   4.7720   1.3920   4.2350   1.8490   5.3090   2.0820 -1.074000 2.784000 
1 1 1   21   31    4 o   4.4830   1.3630   4.6250   1.9370   4.3420   1.9190 0.2828000 2.727000 
1 1 1   21   31    5 f   3.8740   1.2530   3.7850   1.7340   3.9620   1.8100 -0.1770000 2.507000 
1 1 1   21   31    6 o   3.4810   1.1820   3.5700   1.6710   3.3920   1.6720 0.1783000 2.364000 
1 1 1   21   31    7 o   3.4250   1.1890   3.8500   1.8380   2.9990   1.5100 0.8510000 2.378000 
1 1 1   21   31    8 o   2.8860   1.0170   2.3070   1.1770   3.4650   1.6600 -1.158000 2.035000 
1 1 1   21   31    9 o   2.9730   1.0390   2.7040   1.3550   3.2420   1.5760 -0.5388000 2.078000 
1 1 1   21   31   10 o   3.4930   1.1130   4.3510   1.8040   2.6350   1.3060 1.716000 2.227000 
1 1 1   21   31   11 o   2.7500   0.9531   2.3070   1.1630   3.1920   1.5100 -0.8849000 1.906000 
1 1 1   21   31   12 o   2.8030   0.9665   2.6930   1.3240   2.9140   1.4080 -0.2202000 1.933000 
1 1 1   21   31   13 o   2.7000   0.9535   2.9390   1.4450   2.4610   1.2450 0.4778000 1.907000 
1 1 1   21   33    0 o   2.5770   0.9136   2.6240   1.3110   2.5300   1.2730 0.9463000E-01 1.827000 
1 1 1   21   33    1 o   2.6430   0.9359   2.8850   1.4220   2.4010   1.2170 0.4838000 1.872000 
1 1 1   21   33    2 o   3.1750   1.0730   3.1520   1.5200   3.1980   1.5140 -0.4528000E-01 2.145000 
1 1 1   21   33    3 o   2.9620   1.0090   3.2500   1.5260   2.6740   1.3200 0.5753000 2.017000 
1 1 1   21   33    4 o   2.0810   0.7503   2.0290   1.0360   2.1330   1.0850 -0.1046000 1.501000 
1 1 1   21   33    5 o   2.3150   0.8251   2.2410   1.1320   2.3900   1.2000 -0.1489000 1.650000 
1 1 1   21   33    6 o   4.4950   1.2520   5.2760   1.8670   3.7150   1.6680 1.561000 2.504000 
1 1 1   21   33    7 o   1.8870   0.6930   1.8500   0.9633   1.9250   0.9966 -0.7469000E-01 1.386000 
1 1 1   22    0    0 o   35.210   0.4750   35.210   0.4750   35.210   0.4750 -0.000000 0.000000 
1 1 1   22    0    1 o   21.860   0.3833   21.860   0.3833   21.860   0.3833 0.000000 0.000000 
1 1 1   22    0    2 o   18.550   0.2917   18.550   0.2917   18.550   0.2917 -0.000000 0.000000 
1 1 1   22    0    3 o   17.150   0.3074   17.150   0.3074   17.150   0.3074 0.000000 0.000000 
1 1 1   22    0    4 o   22.070   0.3026   22.070   0.3026   22.070   0.3026 -0.000000 0.000000 
1 1 1   22    0    5 o   24.880   0.3132   24.880   0.3132   24.880   0.3132 -0.000000 0.000000 
1 1 1   22    0    6 f   25.600   0.3316   25.600   0.3316   25.600   0.3316 0.000000 0.000000 
1 1 1   22    0    7 o   20.740   0.5029   20.740   0.5029   20.740   0.5029 0.000000 0.000000 
1 1 1   22    0    8 o   22.930   0.3477   22.930   0.3477   22.930   0.3477 0.000000 0.000000 
1 1 1   22    0    9 o   20.250   0.3806   20.250   0.3806   20.250   0.3806 0.000000 0.000000 
1 1 1   22    0   10 o   2.1810   1.3910   2.1810   1.3910   2.1810   1.3910 0.000000 0.000000 
1 1 1   22    0   11 o   37.370   0.4120   37.370   0.4120   37.370   0.4120 0.000000 0.000000 
1 1 1   22    0   12 o   2.0030   1.3570   2.0030   1.3570   2.0030   1.3570 -0.000000 0.000000 
1 1 1   22    0   13 o   40.040   0.4464   40.040   0.4464   40.040   0.4464 0.000000 0.000000 
1 1 1   22    0   14 o   48.910   0.5908   48.910   0.5908   48.910   0.5908 -0.000000 0.000000 
1 1 1   22    0   15 o   39.630   0.6375   39.630   0.6375   39.630   0.6375 -0.000000 0.000000 
1 1 1   22    0   16 o   27.770   0.6500   27.770   0.6500   27.770   0.6500 -0.000000 0.000000 
1 1 1   22    0   17 o   21.800   0.5656   21.800   0.5656   21.800   0.5656 0.000000 0.000000 
1 1 1   22    0   18 o   2.8970   1.8120   2.8970   1.8120   2.8970   1.8120 -0.000000 0.000000 
1 1 1   22    0   19 o   23.420   0.5162   23.420   0.5162   23.420   0.5162 -0.000000 0.000000 
1 1 1   22    0   20 o   12.560   1.3180   12.560   1.3180   12.560   1.3180 -0.000000 0.000000 
1 1 1   22    0   21 o   6.0820   2.4540   6.0820   2.4540   6.0820   2.4540 0.000000 0.000000 
1 1 1   22    0   22 o   1.9970   1.3840   1.9970   1.3840   1.9970   1.3840 -0.000000 0.000000 
1 1 1   22    0   23 o   1.6720   1.2050   1.6720   1.2050   1.6720   1.2050 0.000000 0.000000 
1 1 1   22    0   24 o   2.7230   1.7270   2.7230   1.7270   2.7230   1.7270 0.000000 0.000000 
1 1 1   22    0   25 o   9.6000   1.1080   9.6000   1.1080   9.6000   1.1080 0.000000 0.000000 
1 1 1   22    0   26 o   11.110   1.0010   11.110   1.0010   11.110   1.0010 0.000000 0.000000 
1 1 1   22    0   27 o   2.4180   1.6190   2.4180   1.6190   2.4180   1.6190 -0.000000 0.000000 
1 1 1   22    0   28 o   3.0040   1.9860   3.0040   1.9860   3.0040   1.9860 -0.000000 0.000000 
1 1 1   22    0   29 o   3.6870   2.2260   3.6870   2.2260   3.6870   2.2260 -0.000000 0.000000 
1 1 1   22    0   30 o   5.4530   2.4040   5.4530   2.4040   5.4530   2.4040 -0.000000 0.000000 
1 1 1   22    0   31 o   3.3840   2.0780   3.3840   2.0780   3.3840   2.0780 -0.000000 0.000000 
1 1 1   22    0   32 o   4.0560   2.5120   4.0560   2.5120   4.0560   2.5120 -0.000000 0.000000 
1 1 1   22    0   33 o   2.4420   1.7480   2.4420   1.7480   2.4420   1.7480 -0.000000 0.000000 
1 1 1   22    0   34 f   2.9030   1.8900   2.9030   1.8900   2.9030   1.8900 -0.000000 0.000000 
1 1 1   22    2    0 o   84.210   0.5328   84.580   0.7570   83.840   0.7501 0.7414000 1.066000 
1 1 1   22    2    1 o   11.240   0.2889   11.710   0.4542   10.770   0.3572 0.9447000 0.5778000 
1 1 1   22    2    2 o   12.670   0.2937   12.690   0.4396   12.650   0.3897 0.3605000E-01 0.5875000 
1 1 1   22    2    3 o   13.290   0.2490   13.330   0.3518   13.250   0.3526 0.7572000E-01 0.4981000 
1 1 1   22    2    4 o   41.740   0.2825   41.750   0.3988   41.730   0.4001 0.2694000E-01 0.5650000 
1 1 1   22    2    5 o   16.560   0.2470   16.950   0.3461   16.170   0.3526 0.7815000 0.4941000 
1 1 1   22    2    6 o   31.530   0.2804   31.770   0.4007   31.290   0.3924 0.4804000 0.5608000 
1 1 1   22    2    7 o   56.720   0.4302   56.420   0.6031   57.020   0.6136 -0.5997000 0.8603000 
1 1 1   22    2    8 o   22.660   0.2514   22.790   0.3519   22.530   0.3591 0.2641000 0.5028000 
1 1 1   22    2    9 o   44.540   0.3117   44.130   0.4362   44.950   0.4454 -0.8153000 0.6234000 
1 1 1   22    2   10 o   22.510   0.2795   22.660   0.3933   22.370   0.3973 0.2886000 0.5590000 
1 1 1   22    2   11 o   49.250   0.3428   49.370   0.4852   49.130   0.4845 0.2431000 0.6857000 
1 1 1   22    2   12 o   34.340   0.2962   34.500   0.4194   34.190   0.4185 0.3121000 0.5925000 
1 1 1   22    2   13 o   24.720   0.3257   24.730   0.4567   24.720   0.4644 0.7523000E-02 0.6513000 
1 1 1   22    2   14 o   16.940   0.4393   17.500   0.5955   16.380   0.6459 1.117000 0.8785000 
1 1 1   22    2   15 o   32.010   0.3683   31.990   0.5009   32.020   0.5401 -0.3854000E-01 0.7366000 
1 1 1   22    2   16 o   18.610   0.5532   18.500   0.7371   18.710   0.8250 -0.2010000 1.106000 
1 1 1   22    2   17 o   16.460   0.4803   16.470   0.6663   16.450   0.6920 0.1638000E-01 0.9606000 
1 1 1   22    2   18 o   12.960   0.5866   13.040   0.8242   12.890   0.8350 0.1513000 1.173000 
1 1 1   22    2   19 o   16.390   0.4694   16.890   0.6427   15.890   0.6844 1.005000 0.9389000 
1 1 1   22    2   20 o   17.190   0.5579   16.240   0.8501   18.140   0.7227 -1.903000 1.116000 
1 1 1   22    2   21 o   4.8460   1.2900   4.5690   1.7490   5.1230   1.8960 -0.5539000 2.579000 
1 1 1   22    2   22 o   4.2680   1.1280   5.1330   1.6870   3.4040   1.4980 1.728000 2.256000 
1 1 1   22    2   23 o   6.6850   1.0820   7.1020   1.4400   6.2670   1.6150 0.8346000 2.164000 
1 1 1   22    2   24 o   4.9570   1.1900   5.1060   1.6570   4.8080   1.7080 0.2978000 2.379000 
1 1 1   22    2   25 o   3.3010   1.0500   3.2970   1.4750   3.3050   1.4950 -0.8209000E-02 2.100000 
1 1 1   22    2   26 o   6.0310   1.1770   6.8190   1.5660   5.2430   1.7580 1.576000 2.355000 
1 1 1   22    2   27 f   3.6370   1.1200   3.8900   1.6260   3.3840   1.5390 0.5060000 2.239000 
1 1 1   22    2   28 o   3.9450   1.2500   4.4980   1.9150   3.3920   1.6060 1.106000 2.499000 
1 1 1   22    2   29 o   4.0700   1.2740   4.1800   1.8340   3.9600   1.7700 0.2204000 2.549000 
1 1 1   22    2   30 o   4.3780   1.2870   5.0330   1.9370   3.7220   1.6950 1.311000 2.573000 
1 1 1   22    2   31 o   4.6790   1.3200   5.0300   1.8860   4.3290   1.8480 0.7009000 2.641000 
1 1 1   22    2   32 o   4.1770   1.3760   3.5190   1.7120   4.8360   2.1560 -1.317000 2.753000 
1 1 1   22    2   33 o   2.9880   1.0410   2.9750   1.4620   3.0020   1.4830 -0.2706000E-01 2.083000 
1 1 1   22    2   34 o   3.5490   1.1430   2.9340   1.4250   4.1640   1.7880 -1.230000 2.286000 
1 1 1   22    4    0 o   9.6330   0.2365   9.8770   0.3341   9.3880   0.3349 0.4896000 0.4730000 
1 1 1   22    4    1 f   11.690   0.2329   11.990   0.3225   11.390   0.3360 0.5911000 0.4657000 
1 1 1   22    4    2 o   60.640   0.4524   60.950   0.6423   60.330   0.6372 0.6167000 0.9048000 
1 1 1   22    4    3 o   9.5040   0.3325   9.2000   0.4735   9.8080   0.4668 -0.6078000 0.6649000 
1 1 1   22    4    4 o   33.050   0.2787   33.130   0.3953   32.980   0.3931 0.1436000 0.5575000 
1 1 1   22    4    5 f   24.760   0.2576   24.740   0.3658   24.780   0.3626 -0.3881000E-01 0.5151000 
1 1 1   22    4    6 o   43.810   0.3015   44.080   0.4273   43.540   0.4255 0.5401000 0.6030000 
1 1 1   22    4    7 o   57.140   0.4357   57.570   0.6181   56.700   0.6143 0.8706000 0.8714000 
1 1 1   22    4    8 o   64.940   0.4222   64.860   0.5956   65.010   0.5985 -0.1488000 0.8444000 
1 1 1   22    4    9 o   41.570   0.3004   41.530   0.4221   41.610   0.4276 -0.7549000E-01 0.6009000 
1 1 1   22    4   10 o   12.850   0.4292   13.210   0.5784   12.500   0.6342 0.7149000 0.8584000 
1 1 1   22    4   11 o   50.120   0.3508   50.170   0.4946   50.080   0.4976 0.9496000E-01 0.7016000 
1 1 1   22    4   12 o   39.190   0.3143   39.400   0.4444   38.980   0.4446 0.4235000 0.6286000 
1 1 1   22    4   13 o   54.290   0.4066   55.030   0.6123   53.560   0.5352 1.472000 0.8132000 
1 1 1   22    4   14 o   33.570   0.3652   33.910   0.4975   33.240   0.5346 0.6677000 0.7303000 
1 1 1   22    4   15 o   12.660   0.6860   11.890   0.9946   13.430   0.9452 -1.539000 1.372000 
1 1 1   22    4   16 o   22.440   0.4506   22.550   0.6403   22.330   0.6343 0.2220000 0.9013000 
1 1 1   22    4   17 o   46.410   0.3604   46.610   0.5051   46.210   0.5143 0.3968000 0.7208000 
1 1 1   22    4   18 o   35.910   0.3366   36.320   0.4666   35.500   0.4852 0.8205000 0.6731000 
1 1 1   22    4   19 o   8.3970   0.9434   8.8500   1.2310   7.9440   1.4300 0.9056000 1.887000 
1 1 1   22    4   20 o   24.950   0.5511   25.150   0.7460   24.750   0.8115 0.3923000 1.102000 
1 1 1   22    4   21 o   11.110   0.8308   12.140   0.9496   10.080   1.3630 2.067000 1.662000 
1 1 1   22    4   22 o   4.0250   1.1430   3.7190   1.5710   4.3320   1.6620 -0.6131000 2.287000 
1 1 1   22    4   23 o   8.7630   0.8495   9.1490   1.1360   8.3770   1.2640 0.7715000 1.699000 
1 1 1   22    4   24 o   6.8200   1.0890   6.2700   1.5700   7.3710   1.5090 -1.101000 2.177000 
1 1 1   22    4   25 o   3.1370   1.0170   3.4220   1.5190   2.8530   1.3540 0.5691000 2.035000 
1 1 1   22    4   26 o   4.0920   1.1680   3.6230   1.5610   4.5610   1.7380 -0.9377000 2.336000 
1 1 1   22    4   27 o   5.2010   1.2560   4.7260   1.7560   5.6760   1.7980 -0.9497000 2.513000 
1 1 1   22    4   28 o   4.2050   1.3090   4.5470   1.9300   3.8640   1.7700 0.6828000 2.619000 
1 1 1   22    4   29 o   5.0170   1.2630   3.5980   1.6360   6.4360   1.9250 -2.838000 2.526000 
1 1 1   22    4   30 o   2.9150   1.0050   3.2060   1.5270   2.6240   1.3080 0.5820000 2.011000 
1 1 1   22    4   31 o   3.0920   1.0520   3.2070   1.5250   2.9770   1.4500 0.2294000 2.104000 
1 1 1   22    4   32 o   3.7930   1.2860   3.2510   1.6100   4.3350   2.0060 -1.084000 2.572000 
1 1 1   22    4   33 o   3.7830   1.1840   3.0890   1.4880   4.4770   1.8420 -1.388000 2.368000 
1 1 1   22    4   34 o   2.5200   0.8915   2.4300   1.2230   2.6090   1.2980 -0.1794000 1.783000 
1 1 1   22    6    0 o   15.520   0.3384   14.840   0.4935   16.190   0.4631 -1.358000 0.6768000 
1 1 1   22    6    1 o   27.790   0.3209   28.250   0.4559   27.330   0.4518 0.9225000 0.6419000 
1 1 1   22    6    2 o   44.070   0.3414   44.480   0.4866   43.660   0.4788 0.8172000 0.6827000 
1 1 1   22    6    3 o   36.300   0.2652   36.590   0.3753   36.000   0.3747 0.5887000 0.5303000 
1 1 1   22    6    4 o   46.510   0.3158   46.430   0.4461   46.600   0.4470 -0.1771000 0.6315000 
1 1 1   22    6    5 o   63.680   0.4138   63.530   0.5835   63.840   0.5870 -0.3046000 0.8276000 
1 1 1   22    6    6 o   37.260   0.3271   37.310   0.4582   37.210   0.4669 0.9231000E-01 0.6541000 
1 1 1   22    6    7 o   90.060   0.6644   90.140   0.9395   89.970   0.9396 0.1730000 1.329000 
1 1 1   22    6    8 o   34.460   0.3121   34.540   0.4339   34.380   0.4488 0.1583000 0.6242000 
1 1 1   22    6    9 o   59.140   0.3943   59.080   0.5557   59.200   0.5595 -0.1134000 0.7885000 
1 1 1   22    6   10 o   49.220   0.3460   49.450   0.4904   48.990   0.4882 0.4522000 0.6920000 
1 1 1   22    6   11 o   47.020   0.3407   47.330   0.4830   46.720   0.4806 0.6072000 0.6814000 
1 1 1   22    6   12 o   41.960   0.3282   42.270   0.4614   41.650   0.4670 0.6218000 0.6565000 
1 1 1   22    6   13 o   51.060   0.4185   50.970   0.5843   51.150   0.5994 -0.1761000 0.8371000 
1 1 1   22    6   14 o   47.310   0.4056   46.970   0.5628   47.650   0.5843 -0.6753000 0.8113000 
1 1 1   22    6   15 o   13.960   0.7042   15.600   0.8883   12.310   1.0930 3.292000 1.408000 
1 1 1   22    6   16 o   23.450   0.4591   23.920   0.6478   22.980   0.6508 0.9447000 0.9182000 
1 1 1   22    6   17 o   20.430   0.4228   21.060   0.5637   19.790   0.6302 1.266000 0.8455000 
1 1 1   22    6   18 o   3.2820   1.0550   3.3430   1.5000   3.2210   1.4830 0.1219000 2.109000 
1 1 1   22    6   19 o   9.2370   0.9774   9.6510   1.3460   8.8220   1.4180 0.8294000 1.955000 
1 1 1   22    6   20 o   22.980   0.4512   23.020   0.5716   22.950   0.6982 0.7499000E-01 0.9024000 
1 1 1   22    6   21 o   17.590   0.4670   18.540   0.6057   16.640   0.7110 1.905000 0.9340000 
1 1 1   22    6   22 o   3.5500   1.0750   4.0500   1.6130   3.0500   1.4220 1.000000 2.150000 
1 1 1   22    6   23 o   3.7100   1.0640   4.6690   1.6710   2.7510   1.3170 1.919000 2.128000 
1 1 1   22    6   24 o   3.2090   1.0240   2.6610   1.2750   3.7570   1.6020 -1.096000 2.047000 
1 1 1   22    6   25 o   4.6890   1.2070   5.0240   1.6870   4.3550   1.7260 0.6686000 2.414000 
1 1 1   22    6   26 o   3.6330   1.0870   4.3170   1.6660   2.9490   1.3970 1.368000 2.174000 
1 1 1   22    6   27 o   4.4320   1.2750   3.9440   1.6940   4.9210   1.9050 -0.9771000 2.550000 
1 1 1   22    6   28 o   3.6840   1.2010   3.6100   1.6740   3.7570   1.7240 -0.1472000 2.403000 
1 1 1   22    6   29 o   4.4790   1.2960   4.6140   1.8320   4.3430   1.8320 0.2712000 2.591000 
1 1 1   22    6   30 o   3.8990   1.2210   4.3820   1.8440   3.4160   1.6010 0.9661000 2.443000 
1 1 1   22    6   31 o   3.9190   1.2330   3.3200   1.5760   4.5170   1.8960 -1.197000 2.465000 
1 1 1   22    6   32 o   4.9410   1.5240   5.2230   2.1950   4.6600   2.1140 0.5634000 3.047000 
1 1 1   22    6   33 o   2.5680   0.9078   2.5050   1.2560   2.6310   1.3110 -0.1265000 1.816000 
1 1 1   22    8    0 o   79.460   0.5468   79.790   0.7200   79.140   0.8233 0.6429000 1.094000 
1 1 1   22    8    1 o   69.220   0.4455   69.010   0.6279   69.440   0.6323 -0.4221000 0.8911000 
1 1 1   22    8    2 o   56.800   0.3735   56.430   0.5244   57.170   0.5320 -0.7320000 0.7470000 
1 1 1   22    8    3 o   41.370   0.2953   41.350   0.4155   41.390   0.4197 -0.4286000E-01 0.5906000 
1 1 1   22    8    4 o   48.910   0.3332   49.030   0.4710   48.800   0.4714 0.2204000 0.6664000 
1 1 1   22    8    5 o   45.390   0.3719   45.680   0.5258   45.100   0.5262 0.5810000 0.7439000 
1 1 1   22    8    6 o   93.350   0.6887   93.450   0.9742   93.250   0.9737 0.1933000 1.377000 
1 1 1   22    8    7 o   50.850   0.3502   50.620   0.4928   51.070   0.4978 -0.4433000 0.7005000 
1 1 1   22    8    8 o   71.320   0.4646   70.950   0.6534   71.690   0.6606 -0.7327000 0.9291000 
1 1 1   22    8    9 o   30.630   0.2952   30.560   0.4137   30.710   0.4212 -0.1528000 0.5904000 
1 1 1   22    8   10 o   39.220   0.3396   39.810   0.4452   38.630   0.5129 1.173000 0.6792000 
1 1 1   22    8   11 o   31.560   0.3152   31.650   0.4393   31.460   0.4523 0.1876000 0.6305000 
1 1 1   22    8   12 o   33.830   0.3917   34.530   0.4919   33.130   0.6097 1.407000 0.7834000 
1 1 1   22    8   13 o   3.9970   1.1700   4.5480   1.7380   3.4450   1.5660 1.103000 2.340000 
1 1 1   22    8   14 o   6.0870   1.2260   5.7910   1.7310   6.3840   1.7370 -0.5928000 2.453000 
1 1 1   22    8   15 o   17.390   0.5751   17.710   0.8150   17.080   0.8115 0.6223000 1.150000 
1 1 1   22    8   16 o   18.020   0.4665   17.470   0.6601   18.560   0.6593 -1.094000 0.9329000 
1 1 1   22    8   17 o   14.850   0.5398   14.970   0.7395   14.730   0.7866 0.2417000 1.080000 
1 1 1   22    8   18 o   16.420   0.5734   16.480   0.8314   16.360   0.7897 0.1238000 1.147000 
1 1 1   22    8   19 o   9.9860   0.7667   9.6980   1.0890   10.280   1.0790 -0.5777000 1.533000 
1 1 1   22    8   20 o   7.5930   1.1880   7.4470   1.5800   7.7390   1.7750 -0.2923000 2.376000 
1 1 1   22    8   21 o   10.310   0.7292   10.070   1.0140   10.550   1.0480 -0.4768000 1.458000 
1 1 1   22    8   22 o   16.060   0.4923   16.600   0.6637   15.520   0.7272 1.082000 0.9845000 
1 1 1   22    8   23 o   11.030   0.7255   12.670   0.8234   9.3860   1.1950 3.281000 1.451000 
1 1 1   22    8   24 o   2.9170   0.9755   2.5870   1.2590   3.2460   1.4900 -0.6589000 1.951000 
1 1 1   22    8   25 o   3.9730   1.1380   3.0160   1.4120   4.9310   1.7860 -1.914000 2.277000 
1 1 1   22    8   26 o   3.3860   1.0650   4.1070   1.6820   2.6650   1.3060 1.441000 2.129000 
1 1 1   22    8   27 o   3.1830   1.0660   3.2500   1.5120   3.1160   1.5030 0.1341000 2.131000 
1 1 1   22    8   28 o   4.1100   1.2800   3.8110   1.7200   4.4080   1.8970 -0.5978000 2.560000 
1 1 1   22    8   29 o   4.7020   1.3220   4.7390   1.8490   4.6650   1.8900 0.7373000E-01 2.644000 
1 1 1   22    8   30 o   4.8230   1.3420   4.4170   1.8320   5.2290   1.9620 -0.8111000 2.684000 
1 1 1   22    8   31 o   4.1430   1.2930   3.2950   1.5900   4.9900   2.0390 -1.695000 2.586000 
1 1 1   22    8   32 o   2.8350   1.0010   2.6000   1.3110   3.0710   1.5140 -0.4706000 2.003000 
1 1 1   22    8   33 o   2.4360   0.8656   2.5670   1.2810   2.3050   1.1650 0.2625000 1.731000 
1 1 1   22   10    0 o   59.600   0.3918   59.660   0.5546   59.540   0.5536 0.1230000 0.7836000 
1 1 1   22   10    1 o   67.340   0.4373   67.620   0.6204   67.060   0.6166 0.5612000 0.8747000 
1 1 1   22   10    2 o   33.370   0.2757   33.260   0.3856   33.470   0.3940 -0.2101000 0.5513000 
1 1 1   22   10    3 o   76.840   0.5728   77.150   0.8115   76.520   0.8087 0.6269000 1.146000 
1 1 1   22   10    4 o  112.500   0.8272  112.800   1.1720  112.300   1.1680 0.4527000 1.654000 
1 1 1   22   10    5 o   51.240   0.3545   50.770   0.4964   51.710   0.5062 -0.9394000 0.7090000 
1 1 1   22   10    6 o   42.590   0.3175   42.850   0.4487   42.330   0.4494 0.5165000 0.6351000 
1 1 1   22   10    7 o   44.100   0.3292   44.030   0.4630   44.160   0.4682 -0.1249000 0.6585000 
1 1 1   22   10    8 o   45.310   0.3391   45.520   0.4781   45.100   0.4809 0.4186000 0.6781000 
1 1 1   22   10    9 f   39.840   0.3262   39.920   0.4585   39.760   0.4642 0.1528000 0.6525000 
1 1 1   22   10   10 o   16.640   0.5003   17.260   0.6501   16.020   0.7605 1.242000 1.001000 
1 1 1   22   10   11 o   4.9310   1.2560   4.7310   1.7340   5.1310   1.8180 -0.4001000 2.512000 
1 1 1   22   10   12 o   43.550   0.3515   42.780   0.4907   44.330   0.5034 -1.544000 0.7031000 
1 1 1   22   10   13 o   45.670   0.3629   45.240   0.5089   46.090   0.5176 -0.8464000 0.7258000 
1 1 1   22   10   14 o   16.290   0.6485   16.050   0.9473   16.530   0.8860 -0.4760000 1.297000 
1 1 1   22   10   15 o   25.360   0.3831   24.910   0.5413   25.810   0.5423 -0.8983000 0.7662000 
1 1 1   22   10   16 f   24.420   0.3859   24.700   0.5356   24.140   0.5556 0.5579000 0.7717000 
1 1 1   22   10   17 o   28.380   0.4081   29.160   0.5782   27.590   0.5762 1.568000 0.8163000 
1 1 1   22   10   18 f   19.550   0.4291   20.140   0.5728   18.970   0.6390 1.170000 0.8581000 
1 1 1   22   10   19 o   25.260   0.4188   25.170   0.5512   25.350   0.6306 -0.1742000 0.8376000 
1 1 1   22   10   20 o   6.6120   1.1080   5.2220   1.6730   8.0020   1.4540 -2.780000 2.217000 
1 1 1   22   10   21 o   5.3690   1.1930   4.7510   1.6660   5.9860   1.7090 -1.235000 2.387000 
1 1 1   22   10   22 o   4.5940   1.1920   3.8880   1.6140   5.3000   1.7550 -1.412000 2.385000 
1 1 1   22   10   23 o   4.8700   1.1920   5.7090   1.7040   4.0300   1.6690 1.679000 2.385000 
1 1 1   22   10   24 o   6.6450   1.1880   6.7240   1.6260   6.5670   1.7310 0.1575000 2.375000 
1 1 1   22   10   25 o   7.2240   1.1220   9.1200   1.2970   5.3280   1.8310 3.792000 2.244000 
1 1 1   22   10   26 o   9.0460   1.0690   9.6680   1.3170   8.4240   1.6830 1.244000 2.137000 
1 1 1   22   10   27 o   4.9430   1.2860   6.7030   2.0460   3.1820   1.5600 3.521000 2.572000 
1 1 1   22   10   28 o   4.3510   1.2530   3.3320   1.5730   5.3690   1.9500 -2.037000 2.505000 
1 1 1   22   10   29 o   7.8130   1.2550   8.6130   1.6170   7.0130   1.9180 1.600000 2.509000 
1 1 1   22   10   30 o   5.3170   1.4460   4.4270   1.9240   6.2070   2.1600 -1.780000 2.892000 
1 1 1   22   10   31 o   5.2490   1.3590   3.4750   1.6530   7.0230   2.1570 -3.548000 2.717000 
1 1 1   22   10   32 o   2.6820   0.9525   2.6730   1.3440   2.6920   1.3490 -0.1949000E-01 1.905000 
1 1 1   22   12    0 o   31.290   0.4262   30.850   0.6044   31.720   0.6011 -0.8795000 0.8524000 
1 1 1   22   12    1 o   20.510   0.4518   20.560   0.7203   20.470   0.5455 0.8683000E-01 0.9035000 
1 1 1   22   12    2 o   30.530   0.3944   30.720   0.6210   30.340   0.4865 0.3817000 0.7889000 
1 1 1   22   12    3 o   52.680   0.4540   52.840   0.7449   52.520   0.5194 0.3261000 0.9081000 
1 1 1   22   12    4 o   17.420   0.5323   17.520   0.8876   17.320   0.5880 0.2040000 1.065000 
1 1 1   22   12    5 f   81.900   0.5316   81.810   0.7511   81.980   0.7525 -0.1680000 1.063000 
1 1 1   22   12    6 o   56.980   0.3956   57.120   0.5594   56.840   0.5595 0.2803000 0.7912000 
1 1 1   22   12    7 f   37.940   0.3488   38.240   0.5135   37.650   0.4721 0.5909000 0.6975000 
1 1 1   22   12    8 o   38.100   0.3732   38.210   0.5207   38.000   0.5347 0.2131000 0.7463000 
1 1 1   22   12    9 o   22.990   0.4916   23.750   0.5654   22.220   0.8044 1.536000 0.9832000 
1 1 1   22   12   10 o   31.950   0.3444   31.590   0.4815   32.320   0.4925 -0.7215000 0.6887000 
1 1 1   22   12   11 o   28.620   0.3602   29.010   0.5007   28.220   0.5179 0.7934000 0.7204000 
1 1 1   22   12   12 o   30.010   0.3538   30.680   0.4960   29.340   0.5046 1.338000 0.7075000 
1 1 1   22   12   13 o   11.880   0.8916   11.730   1.2890   12.030   1.2320 -0.3041000 1.783000 
1 1 1   22   12   14 o   19.640   0.4606   20.170   0.6226   19.120   0.6791 1.050000 0.9213000 
1 1 1   22   12   15 o   10.910   0.8720   10.810   1.2080   11.010   1.2580 -0.2036000 1.744000 
1 1 1   22   12   16 o   25.880   0.4242   26.170   0.5910   25.590   0.6087 0.5802000 0.8484000 
1 1 1   22   12   17 o   5.0310   1.1610   6.2670   1.6690   3.7950   1.6150 2.472000 2.322000 
1 1 1   22   12   18 o   16.890   0.5723   17.830   0.7135   15.950   0.8950 1.881000 1.145000 
1 1 1   22   12   19 o   5.0880   1.3230   4.6900   1.7530   5.4860   1.9820 -0.7960000 2.646000 
1 1 1   22   12   20 o   9.7240   0.7878   10.250   1.0100   9.2000   1.2090 1.050000 1.576000 
1 1 1   22   12   21 o   15.900   0.4974   15.740   0.6744   16.060   0.7313 -0.3186000 0.9948000 
1 1 1   22   12   22 o   10.840   0.7443   10.660   1.0290   11.010   1.0760 -0.3456000 1.489000 
1 1 1   22   12   23 f   6.4050   1.1870   5.5580   1.7260   7.2520   1.6310 -1.694000 2.375000 
1 1 1   22   12   24 o   8.3560   1.0160   9.0520   1.2920   7.6610   1.5680 1.391000 2.032000 
1 1 1   22   12   25 o   4.2050   1.2500   3.5510   1.6160   4.8580   1.9090 -1.307000 2.501000 
1 1 1   22   12   26 o   5.1950   1.2780   3.8990   1.6960   6.4910   1.9110 -2.592000 2.555000 
1 1 1   22   12   27 o   4.6130   1.3910   4.8490   2.0140   4.3760   1.9190 0.4726000 2.782000 
1 1 1   22   12   28 o   9.9300   1.0750   11.220   1.2240   8.6430   1.7680 2.576000 2.150000 
1 1 1   22   12   29 o   5.4040   1.4560   4.3920   1.9300   6.4150   2.1820 -2.023000 2.913000 
1 1 1   22   12   30 o   3.3580   1.1480   3.2050   1.5620   3.5120   1.6820 -0.3072000 2.295000 
1 1 1   22   12   31 o   2.6190   0.9324   2.7170   1.3610   2.5200   1.2750 0.1974000 1.865000 
1 1 1   22   12   32 o   2.4270   0.8685   2.5850   1.2880   2.2680   1.1660 0.3169000 1.737000 
1 1 1   22   14    0 o   44.110   0.3650   44.960   0.5581   43.250   0.4707 1.701000 0.7301000 
1 1 1   22   14    1 o   26.290   0.3554   25.820   0.4702   26.770   0.5329 -0.9502000 0.7107000 
1 1 1   22   14    2 o   14.240   0.5337   14.250   0.7408   14.240   0.7685 0.1193000E-01 1.067000 
1 1 1   22   14    3 o   15.370   0.5756   14.640   0.8404   16.090   0.7868 -1.450000 1.151000 
1 1 1   22   14    4 o   25.540   0.4058   24.530   0.5772   26.560   0.5705 -2.033000 0.8115000 
1 1 1   22   14    5 o   24.170   0.4214   23.920   0.6011   24.420   0.5907 -0.4990000 0.8428000 
1 1 1   22   14    6 o   24.140   0.5162   24.470   0.8321   23.820   0.6111 0.6485000 1.032000 
1 1 1   22   14    7 o   25.470   0.5146   24.890   0.8741   26.040   0.5432 -1.155000 1.029000 
1 1 1   22   14    8 o   55.260   0.4991   54.750   0.8194   55.760   0.5702 -1.006000 0.9983000 
1 1 1   22   14    9 o   6.8840   1.3860   5.5120   2.2860   8.2550   1.5670 -2.743000 2.771000 
1 1 1   22   14   10 o   8.2970   1.4210   8.0910   2.3740   8.5030   1.5610 -0.4127000 2.841000 
1 1 1   22   14   11 o   32.860   0.5075   32.680   0.8056   33.040   0.6176 -0.3632000 1.015000 
1 1 1   22   14   12 o   17.150   0.7648   18.140   1.1810   16.160   0.9720 1.979000 1.530000 
1 1 1   22   14   13 o   19.760   1.0850   18.380   2.0560   21.140   0.6957 -2.762000 2.170000 
1 1 1   22   14   14 o   6.2700   1.7350   6.7580   2.8830   5.7820   1.9310 0.9765000 3.470000 
1 1 1   22   14   15 o   4.6230   1.3220   4.3490   1.9650   4.8970   1.7700 -0.5481000 2.645000 
1 1 1   22   14   16 o   8.9020   1.2010   8.0750   2.1120   9.7290   1.1450 -1.654000 2.402000 
1 1 1   22   14   17 o   9.4250   1.2470   7.8530   2.1230   11.000   1.3080 -3.144000 2.494000 
1 1 1   22   14   18 o   4.5020   1.3410   4.0290   1.8350   4.9750   1.9570 -0.9455000 2.683000 
1 1 1   22   14   19 o   18.940   0.5878   18.890   0.9839   18.980   0.6434 -0.9544000E-01 1.176000 
1 1 1   22   14   20 o   7.9960   1.1330   10.040   1.4210   5.9560   1.7660 4.081000 2.267000 
1 1 1   22   14   21 o   6.8740   1.1870   8.9410   1.5620   4.8070   1.7870 4.134000 2.374000 
1 1 1   22   14   22 o   5.9360   1.2230   6.8230   1.6430   5.0490   1.8120 1.774000 2.446000 
1 1 1   22   14   23 o   3.9600   1.1800   3.4000   1.5540   4.5200   1.7760 -1.120000 2.360000 
1 1 1   22   14   24 o   7.7270   1.2040   9.5380   1.3910   5.9160   1.9650 3.622000 2.408000 
1 1 1   22   14   25 o   4.2480   1.2590   4.0300   1.7250   4.4670   1.8350 -0.4373000 2.519000 
1 1 1   22   14   26 o   7.4590   1.4370   8.1530   1.9490   6.7660   2.1130 1.387000 2.874000 
1 1 1   22   14   27 o   3.5490   1.1600   3.8030   1.7120   3.2940   1.5660 0.5086000 2.320000 
1 1 1   22   14   28 o   4.1710   1.3210   3.8870   1.8030   4.4540   1.9310 -0.5668000 2.642000 
1 1 1   22   14   29 o   2.7740   0.9821   3.1450   1.5390   2.4020   1.2210 0.7430000 1.964000 
1 1 1   22   14   30 o   2.4660   0.8843   2.6280   1.3220   2.3050   1.1750 0.3226000 1.769000 
1 1 1   22   14   31 o   2.5020   0.8929   2.3540   1.1900   2.6500   1.3310 -0.2958000 1.786000 
1 1 1   22   16    0 o   22.230   0.4035   21.750   0.5761   22.700   0.5650 -0.9529000 0.8069000 
1 1 1   22   16    1 o   27.680   0.3852   26.800   0.5053   28.560   0.5814 -1.757000 0.7703000 
1 1 1   22   16    2 o   26.460   0.3715   27.070   0.5111   25.850   0.5393 1.223000 0.7430000 
1 1 1   22   16    3 f   30.600   0.3795   31.670   0.5534   29.530   0.5195 2.143000 0.7590000 
1 1 1   22   16    4 o   17.350   0.5221   18.230   0.6820   16.460   0.7906 1.771000 1.044000 
1 1 1   22   16    5 f   26.270   0.3834   27.370   0.5146   25.170   0.5686 2.201000 0.7669000 
1 1 1   22   16    6 o   15.740   0.5589   16.420   0.7246   15.060   0.8511 1.359000 1.118000 
1 1 1   22   16    7 o   43.110   0.3871   44.250   0.5773   41.970   0.5158 2.277000 0.7742000 
1 1 1   22   16    8 f   23.710   0.4213   23.930   0.5796   23.480   0.6117 0.4474000 0.8427000 
1 1 1   22   16    9 o   23.730   0.5151   23.990   0.7273   23.470   0.7296 0.5241000 1.030000 
1 1 1   22   16   10 o   31.150   0.5529   31.640   0.8214   30.650   0.7401 0.9882000 1.106000 
1 1 1   22   16   11 o   6.1930   1.0390   9.2440   1.4380   3.1430   1.5010 6.102000 2.078000 
1 1 1   22   16   12 o   21.840   0.4827   22.240   0.6675   21.430   0.6975 0.8108000 0.9655000 
1 1 1   22   16   13 o   12.870   0.7004   14.520   0.8978   11.230   1.0750 3.292000 1.401000 
1 1 1   22   16   14 o   9.4010   0.8585   8.9880   1.2180   9.8150   1.2100 -0.8269000 1.717000 
1 1 1   22   16   15 o   13.800   0.5838   13.170   0.8370   14.440   0.8141 -1.276000 1.168000 
1 1 1   22   16   16 o   22.710   0.4746   22.890   0.6292   22.530   0.7107 0.3680000 0.9492000 
1 1 1   22   16   17 o   11.180   0.7283   10.580   1.0570   11.780   1.0030 -1.201000 1.457000 
1 1 1   22   16   18 o   6.3500   1.1550   5.0150   1.7540   7.6840   1.5030 -2.670000 2.310000 
1 1 1   22   16   19 o   4.3350   1.1910   3.4520   1.5430   5.2190   1.8150 -1.767000 2.382000 
1 1 1   22   16   20 o   8.2360   1.0560   10.320   1.0860   6.1510   1.8120 4.172000 2.112000 
1 1 1   22   16   21 o   7.5530   1.1190   9.5900   1.2610   5.5160   1.8490 4.074000 2.238000 
1 1 1   22   16   22 o   9.8140   1.1050   9.2000   1.7420   10.430   1.3600 -1.228000 2.210000 
1 1 1   22   16   23 f   6.2330   1.5150   5.8190   2.3060   6.6470   1.9670 -0.8277000 3.031000 
1 1 1   22   16   24 o   3.3670   1.1300   3.2000   1.5730   3.5340   1.6230 -0.3337000 2.260000 
1 1 1   22   16   25 o   5.6370   1.4820   4.6810   2.0410   6.5930   2.1480 -1.912000 2.963000 
1 1 1   22   16   26 o   3.9570   1.2380   3.1500   1.5700   4.7650   1.9150 -1.615000 2.476000 
1 1 1   22   16   27 o   3.4590   1.2100   3.6130   1.8200   3.3060   1.5950 0.3063000 2.420000 
1 1 1   22   16   28 o   3.0070   1.0550   3.2150   1.5940   2.7990   1.3830 0.4152000 2.110000 
1 1 1   22   16   29 o   2.8950   1.0220   3.1060   1.5370   2.6850   1.3480 0.4212000 2.045000 
1 1 1   22   16   30 f   2.4450   0.8884   2.5360   1.2910   2.3550   1.2210 0.1805000 1.777000 
1 1 1   22   18    0 o   16.460   0.5259   16.360   0.7430   16.560   0.7443 -0.2051000 1.052000 
1 1 1   22   18    1 o   23.390   0.4050   23.420   0.5687   23.350   0.5768 0.7285000E-01 0.8101000 
1 1 1   22   18    2 o   45.580   0.3639   46.140   0.5126   45.010   0.5167 1.134000 0.7279000 
1 1 1   22   18    3 o   14.300   0.6181   14.800   0.8226   13.800   0.9227 0.9988000 1.236000 
1 1 1   22   18    4 o   20.150   0.4623   20.070   0.6306   20.240   0.6761 -0.1748000 0.9245000 
1 1 1   22   18    5 o   20.500   0.4560   21.120   0.5973   19.870   0.6893 1.251000 0.9121000 
1 1 1   22   18    6 o   25.500   0.5078   25.660   0.6123   25.340   0.8103 0.3161000 1.016000 
1 1 1   22   18    7 o   10.160   1.2910   9.0100   2.0000   11.300   1.6320 -2.293000 2.581000 
1 1 1   22   18    8 o   7.7020   1.5400   7.5390   2.2000   7.8640   2.1550 -0.3245000 3.079000 
1 1 1   22   18    9 o   12.800   0.6542   12.250   0.8949   13.340   0.9545 -1.095000 1.308000 
1 1 1   22   18   10 o   11.610   0.7258   12.480   0.9099   10.750   1.1310 1.734000 1.452000 
1 1 1   22   18   11 o   23.720   0.3981   23.650   0.5525   23.780   0.5732 -0.1247000 0.7961000 
1 1 1   22   18   12 o   13.680   0.6040   14.200   0.7946   13.150   0.9097 1.053000 1.208000 
1 1 1   22   18   13 o   6.6840   1.1590   7.7770   1.4370   5.5920   1.8180 2.185000 2.318000 
1 1 1   22   18   14 o   5.4550   1.3200   6.1730   1.8250   4.7380   1.9090 1.435000 2.640000 
1 1 1   22   18   15 o   8.2680   1.1540   8.8890   1.4050   7.6460   1.8320 1.242000 2.309000 
1 1 1   22   18   16 o   4.9170   1.2100   3.9320   1.6440   5.9020   1.7770 -1.971000 2.420000 
1 1 1   22   18   17 o   4.0520   1.1200   2.7890   1.3390   5.3150   1.7970 -2.526000 2.241000 
1 1 1   22   18   18 o   4.5220   1.2060   5.2020   1.7460   3.8420   1.6630 1.360000 2.411000 
1 1 1   22   18   19 o   4.8560   1.2520   5.2060   1.7890   4.5060   1.7520 0.6996000 2.504000 
1 1 1   22   18   20 o   3.5960   1.1550   3.3490   1.5450   3.8430   1.7180 -0.4942000 2.311000 
1 1 1   22   18   21 o   4.9330   1.3530   4.7570   1.8600   5.1080   1.9650 -0.3507000 2.706000 
1 1 1   22   18   22 o   4.5470   1.2840   4.0980   1.7370   4.9960   1.8920 -0.8984000 2.568000 
1 1 1   22   18   23 o   4.1380   1.2450   4.6200   1.8420   3.6570   1.6750 0.9634000 2.490000 
1 1 1   22   18   24 o   6.0970   1.3450   8.1410   1.9550   4.0530   1.8480 4.088000 2.690000 
1 1 1   22   18   25 o   4.1710   1.2380   5.1020   1.9400   3.2400   1.5400 1.862000 2.476000 
1 1 1   22   18   26 o   3.6990   1.2330   3.5790   1.6990   3.8200   1.7860 -0.2405000 2.465000 
1 1 1   22   18   27 o   4.0010   1.2260   4.5830   1.8590   3.4200   1.6000 1.163000 2.453000 
1 1 1   22   18   28 f   2.3800   0.8571   2.7160   1.3530   2.0440   1.0520 0.6717000 1.714000 
1 1 1   22   20    0 o   16.830   0.5858   17.860   0.7576   15.800   0.8937 2.053000 1.172000 
1 1 1   22   20    1 o   27.680   0.5166   27.830   0.7278   27.540   0.7334 0.2926000 1.033000 
1 1 1   22   20    2 o   15.540   0.7921   15.660   1.1160   15.410   1.1250 0.2414000 1.584000 
1 1 1   22   20    3 o   20.800   0.6259   20.580   0.8983   21.020   0.8718 -0.4437000 1.252000 
1 1 1   22   20    4 o   11.510   0.8983   12.130   1.1640   10.890   1.3690 1.239000 1.797000 
1 1 1   22   20    5 o   13.510   0.6196   12.840   0.8743   14.180   0.8781 -1.339000 1.239000 
1 1 1   22   20    6 f   35.350   0.3450   35.150   0.4765   35.560   0.4989 -0.4061000 0.6899000 
1 1 1   22   20    7 o   10.040   0.8244   10.290   1.0610   9.7840   1.2620 0.5074000 1.649000 
1 1 1   22   20    8 f   16.190   0.5269   16.940   0.6685   15.440   0.8145 1.500000 1.054000 
1 1 1   22   20    9 o   9.5350   0.8520   10.090   1.0600   8.9760   1.3340 1.118000 1.704000 
1 1 1   22   20   10 o   8.9390   0.8993   8.7330   1.2250   9.1440   1.3170 -0.4114000 1.799000 
1 1 1   22   20   11 o   10.250   0.8505   11.190   1.0870   9.3080   1.3090 1.882000 1.701000 
1 1 1   22   20   12 o   6.8220   1.2990   5.5010   1.9000   8.1420   1.7720 -2.641000 2.598000 
1 1 1   22   20   13 o   4.6570   1.3010   5.1370   1.8780   4.1780   1.8020 0.9586000 2.603000 
1 1 1   22   20   14 o   17.380   0.5052   17.840   0.6846   16.910   0.7430 0.9313000 1.010000 
1 1 1   22   20   15 f   8.5580   1.0050   8.3370   1.4370   8.7790   1.4050 -0.4420000 2.009000 
1 1 1   22   20   16 o   3.6950   1.1510   3.6900   1.6180   3.7010   1.6380 -0.1133000E-01 2.303000 
1 1 1   22   20   17 o   7.5500   1.1090   5.1200   1.8300   9.9800   1.2530 -4.860000 2.218000 
1 1 1   22   20   18 o   13.790   0.7432   15.020   0.9055   12.570   1.1790 2.448000 1.486000 
1 1 1   22   20   19 o   6.1260   1.3870   5.5710   1.9230   6.6810   1.9990 -1.110000 2.774000 
1 1 1   22   20   20 f   5.4170   1.3320   4.5660   1.8310   6.2690   1.9340 -1.702000 2.663000 
1 1 1   22   20   21 o   14.280   0.6725   14.320   0.9228   14.240   0.9785 0.8342000E-01 1.345000 
1 1 1   22   20   22 o   3.9380   1.2730   3.8510   1.7740   4.0240   1.8260 -0.1727000 2.546000 
1 1 1   22   20   23 o   5.4700   1.5070   5.6720   2.1400   5.2670   2.1220 0.4051000 3.013000 
1 1 1   22   20   24 o   6.2550   1.5340   5.5320   2.0980   6.9770   2.2380 -1.445000 3.068000 
1 1 1   22   20   25 o   3.3720   1.1470   3.7050   1.7370   3.0400   1.4980 0.6651000 2.294000 
1 1 1   22   20   26 o   2.4380   0.8652   2.3730   1.1940   2.5030   1.2530 -0.1292000 1.730000 
1 1 1   22   20   27 o   2.7980   0.9819   2.9600   1.4530   2.6370   1.3210 0.3227000 1.964000 
1 1 1   22   22    0 o   18.350   0.4457   18.600   0.6176   18.100   0.6427 0.4993000 0.8914000 
1 1 1   22   22    1 o   11.320   0.7102   10.530   1.0620   12.120   0.9433 -1.593000 1.420000 
1 1 1   22   22    2 o   10.940   0.7407   10.980   1.0040   10.910   1.0900 0.7268000E-01 1.481000 
1 1 1   22   22    3 o   22.100   0.4119   22.230   0.5550   21.980   0.6089 0.2521000 0.8238000 
1 1 1   22   22    4 o   19.670   0.4323   19.600   0.5804   19.740   0.6409 -0.1396000 0.8647000 
1 1 1   22   22    5 o   10.200   0.7856   10.450   1.0170   9.9560   1.1970 0.4955000 1.571000 
1 1 1   22   22    6 o   3.5500   1.1080   3.5740   1.5550   3.5250   1.5780 0.4910000E-01 2.216000 
1 1 1   22   22    7 o   14.120   0.5798   14.040   0.7958   14.210   0.8434 -0.1686000 1.160000 
1 1 1   22   22    8 o   8.9080   0.9440   8.4440   1.3400   9.3720   1.3300 -0.9277000 1.888000 
1 1 1   22   22    9 o   17.170   0.5575   16.210   0.7577   18.140   0.8180 -1.930000 1.115000 
1 1 1   22   22   10 o   9.6060   0.9891   10.370   1.1450   8.8430   1.6130 1.525000 1.978000 
1 1 1   22   22   11 o   16.980   0.5077   16.740   0.6877   17.210   0.7470 -0.4750000 1.015000 
1 1 1   22   22   12 f   5.0320   1.2580   4.4220   1.7110   5.6420   1.8450 -1.219000 2.516000 
1 1 1   22   22   13 o   4.5180   1.2560   4.3100   1.7380   4.7250   1.8150 -0.4153000 2.513000 
1 1 1   22   22   14 o   12.100   0.7354   12.210   1.0030   11.990   1.0760 0.2164000 1.471000 
1 1 1   22   22   15 o   9.7220   0.9692   9.0390   1.4030   10.400   1.3380 -1.366000 1.938000 
1 1 1   22   22   16 o   15.850   0.6793   16.630   0.8550   15.080   1.0560 1.542000 1.359000 
1 1 1   22   22   17 o   19.190   0.5410   20.020   0.7572   18.360   0.7729 1.655000 1.082000 
1 1 1   22   22   18 o   4.9780   1.3420   5.0600   1.8820   4.8970   1.9150 0.1626000 2.685000 
1 1 1   22   22   19 o   3.8160   1.1900   4.2460   1.7750   3.3870   1.5860 0.8595000 2.380000 
1 1 1   22   22   20 o   4.9630   1.3440   5.3480   1.9060   4.5790   1.8970 0.7699000 2.689000 
1 1 1   22   22   21 o   4.0160   1.2970   3.9710   1.8290   4.0600   1.8390 -0.8863000E-01 2.594000 
1 1 1   22   22   22 o   3.1590   1.0920   3.0980   1.5170   3.2210   1.5720 -0.1226000 2.185000 
1 1 1   22   22   23 o   3.4190   1.1560   3.4990   1.6520   3.3390   1.6160 0.1606000 2.311000 
1 1 1   22   22   24 o   2.6860   0.9412   2.6440   1.3080   2.7280   1.3530 -0.8337000E-01 1.882000 
1 1 1   22   22   25 f   2.5380   0.8978   2.3520   1.1860   2.7240   1.3480 -0.3716000 1.796000 
1 1 1   22   24    0 o   27.620   0.3503   27.710   0.4861   27.530   0.5044 0.1781000 0.7005000 
1 1 1   22   24    1 o   14.140   0.5693   13.980   0.7984   14.300   0.8119 -0.3180000 1.139000 
1 1 1   22   24    2 o   13.850   0.6051   13.910   0.8045   13.780   0.9041 0.1329000 1.210000 
1 1 1   22   24    3 o   19.910   0.4440   19.410   0.6104   20.410   0.6449 -0.9979000 0.8880000 
1 1 1   22   24    4 o   21.280   0.4889   20.660   0.6436   21.900   0.7362 -1.237000 0.9779000 
1 1 1   22   24    5 o   20.410   0.5025   19.530   0.6782   21.290   0.7416 -1.756000 1.005000 
1 1 1   22   24    6 o   12.390   0.7959   13.160   0.9332   11.620   1.2900 1.538000 1.592000 
1 1 1   22   24    7 o   20.460   0.5092   21.120   0.6335   19.790   0.7974 1.332000 1.018000 
1 1 1   22   24    8 o   18.590   0.4888   18.520   0.6612   18.650   0.7202 -0.1348000 0.9776000 
1 1 1   22   24    9 o   10.500   0.8348   10.930   1.0490   10.070   1.2990 0.8620000 1.670000 
1 1 1   22   24   10 o   4.1400   1.1910   4.7120   1.7470   3.5680   1.6190 1.143000 2.382000 
1 1 1   22   24   11 o   9.0220   0.9729   8.2240   1.4070   9.8200   1.3440 -1.597000 1.946000 
1 1 1   22   24   12 o   9.9850   0.9669   9.6180   1.3360   10.350   1.3980 -0.7322000 1.934000 
1 1 1   22   24   13 o   5.6810   1.4050   5.6440   1.9500   5.7180   2.0230 -0.7414000E-01 2.810000 
1 1 1   22   24   14 o   4.1560   1.2460   3.9400   1.6990   4.3720   1.8220 -0.4324000 2.491000 
1 1 1   22   24   15 o   3.7860   1.1870   3.3630   1.5680   4.2080   1.7830 -0.8442000 2.374000 
1 1 1   22   24   16 o   4.1560   1.2580   3.9560   1.7210   4.3560   1.8360 -0.4006000 2.516000 
1 1 1   22   24   17 o   4.7390   1.3380   4.4490   1.8180   5.0290   1.9640 -0.5803000 2.676000 
1 1 1   22   24   18 o   4.8770   1.3140   5.7330   1.9340   4.0210   1.7790 1.712000 2.628000 
1 1 1   22   24   19 o   5.5420   1.4830   4.4500   1.9600   6.6340   2.2250 -2.185000 2.966000 
1 1 1   22   24   20 o   3.0640   1.0690   2.7090   1.3600   3.4200   1.6490 -0.7102000 2.137000 
1 1 1   22   24   21 o   3.0080   1.0310   3.5020   1.6280   2.5150   1.2640 0.9863000 2.061000 
1 1 1   22   24   22 o   2.5310   0.8948   2.7170   1.3410   2.3440   1.1850 0.3736000 1.790000 
1 1 1   22   24   23 o   2.2120   0.7948   2.3840   1.1990   2.0390   1.0440 0.3440000 1.590000 
1 1 1   22   26    0 o   8.4010   1.1490   8.8100   1.4770   7.9920   1.7590 0.8177000 2.297000 
1 1 1   22   26    1 o   12.300   0.7075   13.040   0.9204   11.560   1.0750 1.484000 1.415000 
1 1 1   22   26    2 o   23.900   0.4173   23.800   0.5614   23.990   0.6175 -0.1904000 0.8345000 
1 1 1   22   26    3 o   6.1110   1.2710   6.9260   1.6880   5.2970   1.9020 1.629000 2.543000 
1 1 1   22   26    4 o   6.0090   1.0890   3.3740   1.5340   8.6450   1.5460 -5.270000 2.177000 
1 1 1   22   26    5 o   8.4370   1.0980   9.9300   1.2070   6.9440   1.8330 2.986000 2.195000 
1 1 1   22   26    6 o   5.8050   1.3640   4.7200   1.8710   6.8910   1.9850 -2.171000 2.728000 
1 1 1   22   26    7 o   12.380   0.8260   12.530   1.1270   12.220   1.2080 0.3163000 1.652000 
1 1 1   22   26    8 o   14.270   0.7116   13.990   0.9881   14.550   1.0240 -0.5576000 1.423000 
1 1 1   22   26    9 o   11.920   0.8624   12.290   1.1650   11.560   1.2720 0.7236000 1.725000 
1 1 1   22   26   10 o   5.4950   1.3130   6.0030   1.8210   4.9870   1.8920 1.016000 2.626000 
1 1 1   22   26   11 o   7.3750   1.1980   8.2510   1.4850   6.4990   1.8810 1.752000 2.396000 
1 1 1   22   26   12 f   3.2690   1.0840   3.3430   1.5500   3.1940   1.5140 0.1484000 2.167000 
1 1 1   22   26   13 o   4.6160   1.2650   3.6860   1.6460   5.5450   1.9220 -1.859000 2.530000 
1 1 1   22   26   14 o   4.5680   1.2650   3.4580   1.5930   5.6790   1.9650 -2.221000 2.529000 
1 1 1   22   26   15 o   3.6040   1.1700   3.3780   1.5780   3.8290   1.7270 -0.4504000 2.339000 
1 1 1   22   26   16 o   4.1140   1.3120   4.6110   1.9880   3.6170   1.7130 0.9949000 2.625000 
1 1 1   22   26   17 o   3.4730   1.2350   3.6740   1.8530   3.2720   1.6330 0.4021000 2.470000 
1 1 1   22   26   18 o   3.2650   1.1170   3.7870   1.7610   2.7430   1.3760 1.044000 2.235000 
1 1 1   22   26   19 o   2.5670   0.9064   2.6240   1.3030   2.5100   1.2600 0.1132000 1.813000 
1 1 1   22   26   20 o   3.3250   1.1060   3.2500   1.5330   3.4000   1.5960 -0.1498000 2.213000 
1 1 1   22   26   21 o   2.6270   0.9218   2.5860   1.2830   2.6680   1.3240 -0.8219000E-01 1.844000 
1 1 1   22   28    0 o   5.5040   1.3980   5.0630   1.9490   5.9440   2.0040 -0.8813000 2.795000 
1 1 1   22   28    1 f   4.7180   1.3550   3.0110   1.4350   6.4250   2.2990 -3.414000 2.710000 
1 1 1   22   28    2 o   7.9860   1.2880   7.9480   1.5900   8.0240   2.0270 -0.7555000E-01 2.577000 
1 1 1   22   28    3 o   10.740   1.1460   10.810   1.1530   10.670   1.9820 0.1429000 2.293000 
1 1 1   22   28    4 o   9.2660   1.2890   8.5360   1.5110   9.9950   2.0880 -1.458000 2.577000 
1 1 1   22   28    5 o   6.5180   1.4550   7.1050   1.7420   5.9320   2.3310 1.173000 2.910000 
1 1 1   22   28    6 o   14.050   1.0410   16.840   0.8071   11.260   1.9200 5.572000 2.083000 
1 1 1   22   28    7 o   8.9820   1.2990   11.610   1.1330   6.3510   2.3380 5.264000 2.598000 
1 1 1   22   28    8 o   10.680   1.1780   11.690   1.1030   9.6710   2.0820 2.019000 2.356000 
1 1 1   22   28    9 f   5.6480   1.2970   7.2620   1.7650   4.0330   1.9020 3.229000 2.595000 
1 1 1   22   28   10 o   6.2850   1.3140   8.0980   1.6740   4.4720   2.0250 3.625000 2.627000 
1 1 1   22   28   11 f   5.0860   1.4310   5.2100   1.8950   4.9630   2.1440 0.2464000 2.861000 
1 1 1   22   28   12 o   2.9590   1.0440   2.7240   1.3450   3.1950   1.5970 -0.4711000 2.088000 
1 1 1   22   28   13 o   4.9580   1.5520   5.8870   2.3640   4.0290   2.0100 1.858000 3.104000 
1 1 1   22   28   14 o   3.7690   1.3150   3.8770   1.8680   3.6610   1.8520 0.2152000 2.631000 
1 1 1   22   28   15 f   3.5070   1.1580   3.9020   1.7390   3.1120   1.5300 0.7906000 2.316000 
1 1 1   22   28   16 o   4.8490   1.3200   3.4230   1.5870   6.2740   2.1090 -2.851000 2.640000 
1 1 1   22   28   17 o   3.0420   1.0450   2.9680   1.4330   3.1150   1.5210 -0.1472000 2.090000 
1 1 1   22   28   18 o   2.6520   0.9379   2.4360   1.2210   2.8690   1.4240 -0.4329000 1.876000 
1 1 1   22   30    0 o   3.8340   1.1900   3.3520   1.5560   4.3170   1.8010 -0.9652000 2.380000 
1 1 1   22   30    1 o   4.5260   1.2830   5.2850   1.8830   3.7670   1.7440 1.518000 2.567000 
1 1 1   22   30    2 o   8.0130   1.1970   9.8640   1.3640   6.1630   1.9680 3.701000 2.395000 
1 1 1   22   30    3 o   7.3670   1.2670   6.4710   1.8820   8.2630   1.6960 -1.792000 2.533000 
1 1 1   22   30    4 o   3.6470   1.1700   3.8580   1.7000   3.4360   1.6080 0.4220000 2.340000 
1 1 1   22   30    5 o   7.7390   1.2250   6.0220   1.9070   9.4550   1.5390 -3.433000 2.450000 
1 1 1   22   30    6 o   3.5500   1.1550   3.5570   1.6270   3.5440   1.6400 0.1279000E-01 2.310000 
1 1 1   22   30    7 o   3.6120   1.2010   3.6920   1.7150   3.5320   1.6810 0.1597000 2.402000 
1 1 1   22   30    8 o   4.2220   1.3290   4.0560   1.8220   4.3880   1.9340 -0.3325000 2.657000 
1 1 1   22   30    9 o   4.5980   1.4270   3.7290   1.7360   5.4670   2.2660 -1.737000 2.855000 
1 1 1   22   30   10 o   3.6560   1.2510   4.0820   1.9190   3.2300   1.6070 0.8522000 2.502000 
1 1 1   22   30   11 o   5.3000   1.4560   4.6540   1.9610   5.9460   2.1520 -1.292000 2.911000 
1 1 1   22   30   12 o   4.4050   1.2770   4.8510   1.8650   3.9600   1.7440 0.8907000 2.553000 
1 1 1   22   30   13 o   2.4770   0.8752   2.7560   1.3480   2.1980   1.1170 0.5581000 1.750000 
1 1 1   22   30   14 o   2.7560   0.9562   2.6240   1.2980   2.8890   1.4050 -0.2651000 1.912000 
1 1 1   22   30   15 o   2.4420   0.8938   2.3660   1.2250   2.5180   1.3020 -0.1511000 1.788000 
1 1 1   22   32    0 o   3.8530   1.1860   5.0900   1.9740   2.6160   1.3150 2.474000 2.372000 
1 1 1   22   32    1 o   4.1040   1.2330   4.8150   1.8630   3.3920   1.6150 1.422000 2.465000 
1 1 1   22   32    2 o   3.2390   1.0900   3.4160   1.5770   3.0630   1.5040 0.3533000 2.179000 
1 1 1   22   32    3 o   4.2890   1.3280   3.9850   1.7960   4.5920   1.9570 -0.6069000 2.656000 
1 1 1   22   32    4 o   3.9170   1.2340   2.8770   1.4200   4.9580   2.0180 -2.081000 2.467000 
1 1 1   22   32    5 o   2.9600   1.0320   3.1330   1.5260   2.7870   1.3910 0.3465000 2.064000 
1 1 1   22   32    6 o   3.0640   1.0610   2.9260   1.4440   3.2030   1.5550 -0.2774000 2.122000 
1 1 1   22   32    7 o   3.5440   1.1410   3.6050   1.6250   3.4830   1.6010 0.1213000 2.281000 
1 1 1   22   32    8 o   3.1280   1.0520   2.8710   1.3950   3.3850   1.5750 -0.5132000 2.103000 
1 1 1   22   32    9 o   2.6660   0.9294   2.8860   1.3980   2.4460   1.2250 0.4392000 1.859000 
1 1 1   22   32   10 o   2.3000   0.8386   2.3110   1.1860   2.2890   1.1860 0.2233000E-01 1.677000 
1 1 1   23    1    0 o   52.330   0.3883   52.070   0.5470   52.580   0.5513 -0.5110000 0.7767000 
1 1 1   23    1    1 o   38.620   0.3018   38.880   0.4294   38.370   0.4241 0.5128000 0.6035000 
1 1 1   23    1    2 o   58.000   0.4310   57.840   0.6082   58.160   0.6109 -0.3123000 0.8620000 
1 1 1   23    1    3 o   23.320   0.2132   23.410   0.3032   23.230   0.3000 0.1772000 0.4265000 
1 1 1   23    1    4 o   30.220   0.2319   30.380   0.3290   30.050   0.3271 0.3292000 0.4639000 
1 1 1   23    1    5 o   28.200   0.2304   28.360   0.3274   28.030   0.3243 0.3254000 0.4608000 
1 1 1   23    1    6 o   27.010   0.2722   27.740   0.3944   26.290   0.3753 1.448000 0.5445000 
1 1 1   23    1    7 o   24.270   0.2912   24.890   0.3980   23.650   0.4253 1.245000 0.5825000 
1 1 1   23    1    8 o   56.950   0.3748   56.790   0.5283   57.110   0.5318 -0.3203000 0.7496000 
1 1 1   23    1    9 o   31.880   0.2685   32.230   0.3782   31.540   0.3813 0.6924000 0.5371000 
1 1 1   23    1   10 f   46.850   0.3271   46.880   0.4619   46.820   0.4632 0.6000000E-01 0.6541000 
1 1 1   23    1   11 o   33.490   0.2876   33.460   0.4035   33.520   0.4098 -0.6055000E-01 0.5751000 
1 1 1   23    1   12 o   8.5220   0.7304   8.6590   0.9825   8.3850   1.0810 0.2743000 1.461000 
1 1 1   23    1   13 o   55.220   0.3820   54.700   0.5344   55.740   0.5458 -1.048000 0.7639000 
1 1 1   23    1   14 o   34.040   0.3197   34.440   0.4530   33.650   0.4514 0.7940000 0.6395000 
1 1 1   23    1   15 o   40.350   0.4187   40.270   0.5299   40.430   0.6483 -0.1634000 0.8373000 
1 1 1   23    1   16 o   14.900   0.7166   13.620   1.0860   16.170   0.9352 -2.546000 1.433000 
1 1 1   23    1   17 o   15.600   0.5059   15.820   0.6926   15.370   0.7377 0.4468000 1.012000 
1 1 1   23    1   18 o   29.460   0.3386   29.620   0.4757   29.310   0.4821 0.3138000 0.6773000 
1 1 1   23    1   19 o   13.490   0.5556   13.510   0.7863   13.460   0.7851 0.5228000E-01 1.111000 
1 1 1   23    1   20 o   10.990   1.0510   10.080   1.5760   11.900   1.3910 -1.814000 2.102000 
1 1 1   23    1   21 o   4.4990   1.2360   5.2050   1.7960   3.7940   1.6970 1.411000 2.471000 
1 1 1   23    1   22 o   8.1690   0.8794   8.1130   1.2700   8.2250   1.2170 -0.1113000 1.759000 
1 1 1   23    1   23 o   18.500   0.4198   18.630   0.5885   18.360   0.5989 0.2652000 0.8397000 
1 1 1   23    1   24 o   5.8860   1.0320   7.9330   1.3060   3.8400   1.5970 4.093000 2.063000 
1 1 1   23    1   25 o   4.8400   1.1620   5.8250   1.6760   3.8540   1.6090 1.971000 2.323000 
1 1 1   23    1   26 o   12.880   0.6207   12.650   0.8860   13.100   0.8696 -0.4413000 1.241000 
1 1 1   23    1   27 o   3.3640   1.0630   2.5920   1.2690   4.1360   1.7070 -1.544000 2.127000 
1 1 1   23    1   28 o   3.6350   1.1950   4.2950   1.8820   2.9760   1.4710 1.319000 2.389000 
1 1 1   23    1   29 o   5.3020   1.3440   5.5330   1.9070   5.0700   1.8940 0.4622000 2.688000 
1 1 1   23    1   30 o   4.4200   1.2900   4.5180   1.8440   4.3230   1.8040 0.1948000 2.579000 
1 1 1   23    1   31 o   3.7700   1.1960   4.0690   1.7590   3.4720   1.6220 0.5970000 2.393000 
1 1 1   23    1   32 o   3.8880   1.2980   4.5260   2.0360   3.2490   1.6120 1.277000 2.597000 
1 1 1   23    1   33 o   2.9010   0.9995   2.5590   1.2790   3.2440   1.5370 -0.6846000 1.999000 
1 1 1   23    1   34 o   2.2150   0.7952   2.1990   1.1160   2.2300   1.1330 -0.3161000E-01 1.590000 
1 1 1   23    3    0 o   40.470   0.2698   40.670   0.3825   40.260   0.3806 0.4122000 0.5395000 
1 1 1   23    3    1 o   43.610   0.2889   43.640   0.4084   43.590   0.4087 0.4692000E-01 0.5778000 
1 1 1   23    3    2 o   24.180   0.3071   25.060   0.3601   23.300   0.4976 1.761000 0.6143000 
1 1 1   23    3    3 o   35.350   0.2521   35.210   0.3542   35.490   0.3587 -0.2804000 0.5041000 
1 1 1   23    3    4 o   28.120   0.2303   28.240   0.3234   28.000   0.3281 0.2405000 0.4607000 
1 1 1   23    3    5 o   41.400   0.3738   42.380   0.5919   40.420   0.4566 1.966000 0.7476000 
1 1 1   23    3    6 o   29.790   0.2451   29.940   0.3453   29.640   0.3479 0.2997000 0.4902000 
1 1 1   23    3    7 f   34.670   0.3112   34.710   0.4325   34.630   0.4477 0.8485000E-01 0.6225000 
1 1 1   23    3    8 o   24.330   0.2881   24.830   0.3577   23.830   0.4518 0.9920000 0.5762000 
1 1 1   23    3    9 o   14.810   0.3511   14.610   0.4956   15.020   0.4974 -0.4078000 0.7021000 
1 1 1   23    3   10 o   34.260   0.2832   34.250   0.3983   34.280   0.4027 -0.2837000E-01 0.5664000 
1 1 1   23    3   11 o   15.540   0.3948   15.890   0.5478   15.190   0.5687 0.6997000 0.7896000 
1 1 1   23    3   12 o   59.270   0.3998   59.370   0.5661   59.170   0.5648 0.1992000 0.7997000 
1 1 1   23    3   13 o   7.7660   0.9072   7.2780   1.3400   8.2530   1.2230 -0.9749000 1.814000 
1 1 1   23    3   14 o   57.130   0.3966   57.000   0.5591   57.270   0.5627 -0.2723000 0.7932000 
1 1 1   23    3   15 o   51.000   0.4243   51.080   0.5922   50.920   0.6077 0.1538000 0.8485000 
1 1 1   23    3   16 o   26.710   0.4126   27.250   0.5835   26.160   0.5836 1.089000 0.8252000 
1 1 1   23    3   17 o   42.250   0.3472   42.250   0.4858   42.260   0.4963 -0.1099000E-01 0.6945000 
1 1 1   23    3   18 o   15.710   0.5084   15.680   0.7064   15.730   0.7315 -0.5503000E-01 1.017000 
1 1 1   23    3   19 o   29.580   0.3426   29.240   0.4800   29.920   0.4889 -0.6820000 0.6851000 
1 1 1   23    3   20 o   9.0390   1.3040   10.110   1.5570   7.9660   2.0930 2.146000 2.608000 
1 1 1   23    3   21 o   5.4950   1.2350   4.1210   1.6910   6.8690   1.8010 -2.748000 2.471000 
1 1 1   23    3   22 o   5.5770   1.0090   3.5030   1.5130   7.6520   1.3340 -4.149000 2.017000 
1 1 1   23    3   23 o   8.6040   0.9012   9.7520   1.0650   7.4550   1.4540 2.297000 1.802000 
1 1 1   23    3   24 o   11.760   0.6339   12.360   0.8070   11.160   0.9779 1.203000 1.268000 
1 1 1   23    3   25 o   4.6570   1.1950   4.7460   1.6990   4.5680   1.6810 0.1776000 2.390000 
1 1 1   23    3   26 o   3.0870   0.9984   3.8160   1.6160   2.3580   1.1730 1.458000 1.997000 
1 1 1   23    3   27 o   5.9710   1.2110   6.6640   1.6130   5.2780   1.8070 1.386000 2.422000 
1 1 1   23    3   28 o   4.9040   1.3900   5.7410   2.0860   4.0660   1.8370 1.675000 2.780000 
1 1 1   23    3   29 o   3.8010   1.1870   4.2030   1.7770   3.3980   1.5750 0.8054000 2.375000 
1 1 1   23    3   30 o   4.9830   1.3500   5.4740   1.9610   4.4930   1.8550 0.9814000 2.699000 
1 1 1   23    3   31 o   4.7010   1.3310   4.6150   1.8510   4.7880   1.9130 -0.1724000 2.662000 
1 1 1   23    3   32 o   3.3800   1.1730   3.7440   1.7880   3.0170   1.5180 0.7271000 2.345000 
1 1 1   23    3   33 o   3.1480   1.0610   2.8540   1.3990   3.4410   1.5960 -0.5870000 2.122000 
1 1 1   23    3   34 o   2.0060   0.7372   2.0380   1.0580   1.9750   1.0270 0.6271000E-01 1.474000 
1 1 1   23    5    0 o   29.480   0.2205   29.170   0.3086   29.790   0.3151 -0.6292000 0.4411000 
1 1 1   23    5    1 o   19.290   0.2598   19.350   0.3668   19.230   0.3680 0.1206000 0.5196000 
1 1 1   23    5    2 o   22.210   0.3065   22.690   0.4456   21.730   0.4210 0.9595000 0.6130000 
1 1 1   23    5    3 o   14.530   0.3347   14.350   0.3927   14.700   0.5420 -0.3473000 0.6693000 
1 1 1   23    5    4 o   10.740   0.3469   10.810   0.4821   10.670   0.4989 0.1472000 0.6938000 
1 1 1   23    5    5 o   57.930   0.3791   58.200   0.5379   57.670   0.5344 0.5299000 0.7582000 
1 1 1   23    5    6 o   30.810   0.2539   30.690   0.3567   30.930   0.3613 -0.2434000 0.5077000 
1 1 1   23    5    7 o   21.290   0.3248   20.790   0.4378   21.800   0.4799 -1.010000 0.6496000 
1 1 1   23    5    8 o   44.360   0.3145   44.490   0.4446   44.240   0.4450 0.2479000 0.6291000 
1 1 1   23    5    9 o   35.250   0.2845   35.340   0.3996   35.170   0.4050 0.1648000 0.5690000 
1 1 1   23    5   10 o   56.120   0.3799   56.320   0.5385   55.920   0.5360 0.3975000 0.7598000 
1 1 1   23    5   11 o   43.710   0.3257   43.610   0.4601   43.820   0.4612 -0.2078000 0.6514000 
1 1 1   23    5   12 o   30.710   0.3333   30.760   0.4309   30.670   0.5087 0.8978000E-01 0.6667000 
1 1 1   23    5   13 o   14.130   0.5174   14.580   0.6868   13.680   0.7741 0.9047000 1.035000 
1 1 1   23    5   14 o   33.470   0.3672   33.380   0.5049   33.550   0.5331 -0.1675000 0.7343000 
1 1 1   23    5   15 o   38.580   0.3971   38.030   0.5679   39.130   0.5552 -1.103000 0.7942000 
1 1 1   23    5   16 o   15.730   0.6070   15.420   0.8645   16.040   0.8525 -0.6192000 1.214000 
1 1 1   23    5   17 o   15.060   0.5308   15.490   0.7124   14.630   0.7870 0.8605000 1.062000 
1 1 1   23    5   18 o   13.150   0.5992   13.310   0.7914   12.990   0.9001 0.3252000 1.198000 
1 1 1   23    5   19 o   9.3220   0.9873   9.0040   1.4630   9.6400   1.3260 -0.6355000 1.975000 
1 1 1   23    5   20 o   20.820   0.5002   20.820   0.6444   20.810   0.7653 0.1473000E-01 1.000000 
1 1 1   23    5   21 o   15.410   0.5929   16.100   0.7419   14.720   0.9251 1.380000 1.186000 
1 1 1   23    5   22 o   17.900   0.4363   17.400   0.6167   18.390   0.6173 -0.9928000 0.8726000 
1 1 1   23    5   23 o   3.2390   1.0320   2.9040   1.3600   3.5750   1.5530 -0.6711000 2.065000 
1 1 1   23    5   24 o   6.5460   1.1350   5.2130   1.7850   7.8790   1.4010 -2.666000 2.269000 
1 1 1   23    5   25 o   6.8910   1.1240   6.7010   1.6100   7.0810   1.5680 -0.3793000 2.248000 
1 1 1   23    5   26 o   3.5550   1.1060   3.4780   1.5390   3.6320   1.5900 -0.1536000 2.213000 
1 1 1   23    5   27 o   5.0150   1.3300   4.7030   1.8320   5.3280   1.9290 -0.6253000 2.660000 
1 1 1   23    5   28 o   7.5150   1.4470   8.7440   1.8900   6.2850   2.1910 2.459000 2.893000 
1 1 1   23    5   29 o   3.8160   1.1870   4.4820   1.8390   3.1500   1.5020 1.332000 2.375000 
1 1 1   23    5   30 o   6.9440   1.2500   9.0180   1.5830   4.8700   1.9340 4.148000 2.500000 
1 1 1   23    5   31 o   4.2790   1.2260   2.8640   1.4040   5.6930   2.0110 -2.830000 2.452000 
1 1 1   23    5   32 o   3.2660   1.1450   3.1260   1.5590   3.4060   1.6780 -0.2809000 2.291000 
1 1 1   23    5   33 o   2.7720   0.9732   3.0720   1.5000   2.4730   1.2400 0.5983000 1.946000 
1 1 1   23    7    0 o   92.590   0.6798   92.600   0.9614   92.580   0.9613 0.1854000E-01 1.360000 
1 1 1   23    7    1 o   65.880   0.4244   65.850   0.5995   65.900   0.6010 -0.4893000E-01 0.8489000 
1 1 1   23    7    2 o   65.550   0.4234   64.510   0.5896   66.580   0.6079 -2.076000 0.8469000 
1 1 1   23    7    3 o   97.280   0.6175   97.050   0.8713   97.500   0.8754 -0.4434000 1.235000 
1 1 1   23    7    4 o   40.130   0.2889   40.400   0.4086   39.860   0.4084 0.5316000 0.5777000 
1 1 1   23    7    5 o   52.410   0.3521   52.540   0.4982   52.270   0.4976 0.2628000 0.7041000 
1 1 1   23    7    6 o   73.170   0.5475   73.190   0.7733   73.160   0.7753 0.2319000E-01 1.095000 
1 1 1   23    7    7 o   53.590   0.3627   53.600   0.5120   53.590   0.5140 0.8492000E-02 0.7255000 
1 1 1   23    7    8 o   45.850   0.3273   45.500   0.4594   46.190   0.4662 -0.6950000 0.6545000 
1 1 1   23    7    9 o   27.770   0.2918   27.640   0.4103   27.900   0.4150 -0.2628000 0.5836000 
1 1 1   23    7   10 o   18.570   0.3701   18.560   0.5106   18.570   0.5360 -0.3218000E-02 0.7403000 
1 1 1   23    7   11 o   24.020   0.3368   24.090   0.4698   23.950   0.4826 0.1367000 0.6735000 
1 1 1   23    7   12 o   19.080   0.4076   19.580   0.5491   18.570   0.6025 1.003000 0.8152000 
1 1 1   23    7   13 f   44.610   0.3918   43.860   0.5398   45.360   0.5680 -1.495000 0.7836000 
1 1 1   23    7   14 o   8.9880   0.9029   8.6850   1.2820   9.2910   1.2720 -0.6060000 1.806000 
1 1 1   23    7   15 o   5.1990   1.3650   5.4310   1.9530   4.9660   1.9070 0.4651000 2.730000 
1 1 1   23    7   16 o   24.990   0.3790   25.070   0.5247   24.900   0.5471 0.1695000 0.7580000 
1 1 1   23    7   17 o   9.9510   0.8436   11.300   0.9799   8.6020   1.3740 2.698000 1.687000 
1 1 1   23    7   18 o   4.6110   1.2050   5.9790   1.8700   3.2440   1.5200 2.734000 2.410000 
1 1 1   23    7   19 o   11.700   0.7713   11.770   1.1070   11.640   1.0740 0.1288000 1.543000 
1 1 1   23    7   20 o   3.1480   1.0550   2.7790   1.3460   3.5160   1.6250 -0.7362000 2.110000 
1 1 1   23    7   21 o   9.1900   0.8247   9.1270   1.1340   9.2520   1.1970 -0.1255000 1.649000 
1 1 1   23    7   22 o   20.050   0.4128   20.090   0.5687   20.010   0.5986 0.7487000E-01 0.8256000 
1 1 1   23    7   23 o   3.9190   1.1410   4.1770   1.6310   3.6610   1.5960 0.5152000 2.282000 
1 1 1   23    7   24 o   6.3210   1.1170   7.8330   1.3910   4.8090   1.7480 3.023000 2.234000 
1 1 1   23    7   25 o   9.3650   0.8726   7.9820   1.3500   10.750   1.1060 -2.765000 1.745000 
1 1 1   23    7   26 o   9.3790   0.9222   9.7980   1.1980   8.9600   1.4020 0.8377000 1.844000 
1 1 1   23    7   27 o   8.0130   1.2400   8.2350   1.6480   7.7910   1.8520 0.4442000 2.479000 
1 1 1   23    7   28 o   8.6670   1.2580   8.6560   1.7960   8.6770   1.7610 -0.2107000E-01 2.515000 
1 1 1   23    7   29 o   3.4740   1.1350   3.7980   1.6910   3.1490   1.5140 0.6499000 2.270000 
1 1 1   23    7   30 o   3.7890   1.2130   3.4550   1.6080   4.1230   1.8160 -0.6676000 2.425000 
1 1 1   23    7   31 o   5.9780   1.3550   3.6390   1.7190   8.3170   2.0950 -4.678000 2.710000 
1 1 1   23    7   32 o   3.1780   1.0930   2.9940   1.4750   3.3630   1.6130 -0.3683000 2.186000 
1 1 1   23    7   33 o   2.4830   0.8809   2.7820   1.3670   2.1830   1.1110 0.5987000 1.762000 
1 1 1   23    9    0 o   42.580   0.3210   42.230   0.4202   42.930   0.4855 -0.7038000 0.6420000 
1 1 1   23    9    1 o   81.830   0.5230   81.850   0.7396   81.810   0.7398 0.3410000E-01 1.046000 
1 1 1   23    9    2 f   32.390   0.2834   33.180   0.3760   31.600   0.4242 1.577000 0.5668000 
1 1 1   23    9    3 o   39.760   0.3442   37.750   0.4683   41.780   0.5046 -4.032000 0.6885000 
1 1 1   23    9    4 o  122.900   0.8417  123.200   1.2760  122.600   1.0980 0.6154000 1.683000 
1 1 1   23    9    5 o   36.590   0.3951   35.900   0.4750   37.290   0.6314 -1.388000 0.7902000 
1 1 1   23    9    6 o   35.150   0.3373   35.650   0.4922   34.650   0.4612 0.9977000 0.6745000 
1 1 1   23    9    7 o   8.6800   0.6677   8.2820   0.9780   9.0780   0.9093 -0.7960000 1.335000 
1 1 1   23    9    8 o   15.950   0.4054   16.140   0.5563   15.760   0.5898 0.3785000 0.8107000 
1 1 1   23    9    9 o   27.580   0.3121   27.890   0.4319   27.270   0.4505 0.6262000 0.6241000 
1 1 1   23    9   10 o   23.440   0.3508   23.960   0.4733   22.910   0.5179 1.053000 0.7015000 
1 1 1   23    9   11 o   4.2840   1.1750   3.4210   1.5160   5.1460   1.7960 -1.725000 2.351000 
1 1 1   23    9   12 o   14.780   0.5750   14.980   0.7635   14.590   0.8601 0.3936000 1.150000 
1 1 1   23    9   13 o   21.890   0.4416   22.690   0.6346   21.080   0.6141 1.609000 0.8831000 
1 1 1   23    9   14 o   28.070   0.4325   27.720   0.6315   28.430   0.5910 -0.7017000 0.8649000 
1 1 1   23    9   15 o   22.010   0.6054   20.080   1.0210   23.930   0.6508 -3.852000 1.211000 
1 1 1   23    9   16 o   34.670   0.3430   34.940   0.4793   34.410   0.4908 0.5281000 0.6860000 
1 1 1   23    9   17 o   19.220   0.5072   19.950   0.7065   18.490   0.7280 1.465000 1.014000 
1 1 1   23    9   18 o   19.700   0.4837   19.450   0.7025   19.950   0.6650 -0.5029000 0.9673000 
1 1 1   23    9   19 o   3.8310   1.1750   2.9700   1.4050   4.6910   1.8850 -1.721000 2.351000 
1 1 1   23    9   20 o   9.3840   0.9577   9.8010   1.1800   8.9680   1.5080 0.8328000 1.915000 
1 1 1   23    9   21 f   6.7490   1.0710   5.3730   1.6610   8.1260   1.3520 -2.753000 2.141000 
1 1 1   23    9   22 o   5.2430   1.1990   5.9520   1.6680   4.5330   1.7220 1.418000 2.397000 
1 1 1   23    9   23 o   3.3720   1.0580   3.7750   1.5860   2.9690   1.4010 0.8061000 2.117000 
1 1 1   23    9   24 o   3.7040   1.1220   3.4050   1.5090   4.0020   1.6620 -0.5971000 2.245000 
1 1 1   23    9   25 o   9.5220   0.8886   10.290   1.1120   8.7480   1.3860 1.546000 1.777000 
1 1 1   23    9   26 o   9.2540   1.0680   11.410   1.0520   7.0990   1.8590 4.311000 2.135000 
1 1 1   23    9   27 o   4.7960   1.3630   4.5010   1.9030   5.0910   1.9520 -0.5899000 2.726000 
1 1 1   23    9   28 o   9.4840   1.2180   9.1730   1.8290   9.7960   1.6080 -0.6238000 2.435000 
1 1 1   23    9   29 o   3.3810   1.1210   3.6030   1.6540   3.1590   1.5130 0.4442000 2.242000 
1 1 1   23    9   30 o   3.6970   1.2020   2.6860   1.3480   4.7070   1.9900 -2.021000 2.404000 
1 1 1   23    9   31 o   3.6220   1.2080   3.3450   1.6170   3.8990   1.7960 -0.5538000 2.417000 
1 1 1   23    9   32 o   2.5510   0.9101   2.4890   1.2580   2.6130   1.3160 -0.1244000 1.820000 
1 1 1   23   11    0 o   82.260   0.6494   82.730   1.0660   81.780   0.7418 0.9475000 1.299000 
1 1 1   23   11    1 o   67.570   0.5452   68.200   0.8968   66.940   0.6204 1.260000 1.090000 
1 1 1   23   11    2 o   61.000   0.5269   60.880   0.8160   61.120   0.6669 -0.2391000 1.054000 
1 1 1   23   11    3 o   46.290   0.4358   46.650   0.6789   45.920   0.5466 0.7310000 0.8715000 
1 1 1   23   11    4 o   40.610   0.3921   40.920   0.6445   40.300   0.4468 0.6164000 0.7842000 
1 1 1   23   11    5 o   69.860   0.5664   69.590   0.9260   70.140   0.6525 -0.5456000 1.133000 
1 1 1   23   11    6 f   52.860   0.4063   52.580   0.6153   53.130   0.5308 -0.5515000 0.8126000 
1 1 1   23   11    7 o   61.710   0.4193   61.230   0.5885   62.180   0.5976 -0.9552000 0.8387000 
1 1 1   23   11    8 o   51.260   0.3712   51.130   0.5223   51.380   0.5274 -0.2488000 0.7423000 
1 1 1   23   11    9 o   28.220   0.3699   27.870   0.5098   28.560   0.5360 -0.6895000 0.7397000 
1 1 1   23   11   10 o   30.680   0.4362   31.710   0.5110   29.650   0.7072 2.056000 0.8725000 
1 1 1   23   11   11 o   25.020   0.3735   25.440   0.5159   24.600   0.5404 0.8353000 0.7471000 
1 1 1   23   11   12 o   10.490   0.7938   10.140   1.1380   10.830   1.1070 -0.6820000 1.588000 
1 1 1   23   11   13 o   25.790   0.4586   26.000   0.6583   25.580   0.6386 0.4249000 0.9172000 
1 1 1   23   11   14 o   16.160   0.6453   16.830   0.8968   15.490   0.9281 1.337000 1.291000 
1 1 1   23   11   15 o   21.990   0.4112   22.150   0.5701   21.820   0.5928 0.3257000 0.8224000 
1 1 1   23   11   16 o   27.830   0.4113   27.790   0.5841   27.860   0.5792 -0.7275000E-01 0.8226000 
1 1 1   23   11   17 o   34.520   0.3405   34.590   0.4740   34.450   0.4890 0.1449000 0.6810000 
1 1 1   23   11   18 o   4.5630   1.2130   4.4730   1.6890   4.6540   1.7410 -0.1813000 2.425000 
1 1 1   23   11   19 o   6.2410   1.2960   6.6720   1.6680   5.8100   1.9840 0.8613000 2.591000 
1 1 1   23   11   20 f   4.5850   1.1910   4.7440   1.6610   4.4260   1.7070 0.3173000 2.382000 
1 1 1   23   11   21 o   2.7260   0.9238   2.9160   1.3660   2.5360   1.2440 0.3793000 1.848000 
1 1 1   23   11   22 f   10.890   0.7148   11.070   0.9595   10.720   1.0600 0.3502000 1.430000 
1 1 1   23   11   23 o   3.5600   1.1070   3.7170   1.5880   3.4030   1.5430 0.3148000 2.214000 
1 1 1   23   11   24 o   10.690   0.7761   9.9780   1.1330   11.410   1.0610 -1.432000 1.552000 
1 1 1   23   11   25 o   12.090   0.7916   12.440   1.0320   11.740   1.2010 0.6972000 1.583000 
1 1 1   23   11   26 o   3.9510   1.2150   4.0130   1.7200   3.8900   1.7160 0.1232000 2.429000 
1 1 1   23   11   27 o   9.2640   1.2520   7.6000   1.9840   10.930   1.5280 -3.329000 2.504000 
1 1 1   23   11   28 f   4.9220   1.3700   4.8260   1.9060   5.0180   1.9690 -0.1918000 2.740000 
1 1 1   23   11   29 o   4.3570   1.2860   5.0020   1.9230   3.7120   1.7070 1.290000 2.572000 
1 1 1   23   11   30 o   3.3380   1.1440   3.3120   1.6050   3.3650   1.6300 -0.5305000E-01 2.288000 
1 1 1   23   11   31 o   2.7470   0.9726   2.7510   1.3750   2.7430   1.3760 0.8036000E-02 1.945000 
1 1 1   23   11   32 o   2.7830   0.9661   3.1800   1.5130   2.3860   1.2020 0.7934000 1.932000 
1 1 1   23   13    0 o   55.880   0.4411   55.770   0.6209   55.980   0.6266 -0.2112000 0.8821000 
1 1 1   23   13    1 o   39.840   0.3634   40.230   0.5092   39.460   0.5186 0.7699000 0.7269000 
1 1 1   23   13    2 o   80.430   0.5220   80.410   0.7364   80.450   0.7400 -0.4085000E-01 1.044000 
1 1 1   23   13    3 o   71.280   0.4701   70.900   0.6597   71.670   0.6698 -0.7731000 0.9401000 
1 1 1   23   13    4 o   23.330   0.3609   23.210   0.4981   23.450   0.5224 -0.2399000 0.7218000 
1 1 1   23   13    5 o   39.460   0.3761   38.760   0.5241   40.170   0.5396 -1.416000 0.7523000 
1 1 1   23   13    6 o   41.960   0.3883   41.490   0.5477   42.440   0.5507 -0.9494000 0.7767000 
1 1 1   23   13    7 o   34.290   0.5714   34.420   0.9587   34.150   0.6220 0.2704000 1.143000 
1 1 1   23   13    8 o   24.550   0.5251   25.230   0.8833   23.870   0.5682 1.359000 1.050000 
1 1 1   23   13    9 o   22.270   0.5705   22.520   0.9718   22.030   0.5979 0.4860000 1.141000 
1 1 1   23   13   10 f   44.080   0.4873   43.160   0.7808   45.010   0.5833 -1.855000 0.9746000 
1 1 1   23   13   11 o   43.550   0.4665   43.750   0.7768   43.350   0.5168 0.4008000 0.9330000 
1 1 1   23   13   12 o   16.680   0.7691   15.890   1.2890   17.470   0.8391 -1.588000 1.538000 
1 1 1   23   13   13 o   39.370   0.4848   38.990   0.7673   39.740   0.5928 -0.7475000 0.9696000 
1 1 1   23   13   14 o   12.260   1.6390   10.140   3.1410   14.370   0.9349 -4.222000 3.277000 
1 1 1   23   13   15 o   15.960   1.1740   15.600   2.1960   16.320   0.8307 -0.7140000 2.348000 
1 1 1   23   13   16 o   12.250   0.8875   12.200   1.4980   12.300   0.9524 -0.1000000 1.775000 
1 1 1   23   13   17 o   15.960   0.6580   15.720   1.0890   16.210   0.7392 -0.4892000 1.316000 
1 1 1   23   13   18 o   17.700   0.6497   18.660   0.9268   16.740   0.9106 1.926000 1.299000 
1 1 1   23   13   19 o   4.0630   1.2130   3.6230   1.7000   4.5030   1.7320 -0.8794000 2.427000 
1 1 1   23   13   20 o   13.920   0.6970   14.750   1.0930   13.090   0.8651 1.660000 1.394000 
1 1 1   23   13   21 o   8.7810   1.1570   8.7420   1.9000   8.8210   1.3210 -0.7874000E-01 2.314000 
1 1 1   23   13   22 o   4.7840   1.1880   3.2480   1.5860   6.3190   1.7700 -3.072000 2.376000 
1 1 1   23   13   23 o   3.1420   1.0820   3.7270   1.7600   2.5570   1.2600 1.170000 2.165000 
1 1 1   23   13   24 o   3.7820   1.2350   4.1120   1.8790   3.4510   1.6040 0.6619000 2.471000 
1 1 1   23   13   25 o   3.7660   1.2040   4.4280   1.8920   3.1040   1.4900 1.324000 2.409000 
1 1 1   23   13   26 o   7.5830   1.4050   8.6890   1.8580   6.4780   2.1080 2.211000 2.810000 
1 1 1   23   13   27 o   4.2400   1.2620   5.0260   1.9310   3.4540   1.6240 1.572000 2.523000 
1 1 1   23   13   28 o   6.1840   1.3720   4.8730   1.9330   7.4950   1.9470 -2.622000 2.744000 
1 1 1   23   13   29 o   3.3900   1.1550   3.8280   1.7870   2.9530   1.4640 0.8754000 2.310000 
1 1 1   23   13   30 o   2.6910   0.9565   2.7010   1.3580   2.6800   1.3480 0.2161000E-01 1.913000 
1 1 1   23   13   31 o   2.1460   0.7792   2.0720   1.0660   2.2210   1.1370 -0.1494000 1.558000 
1 1 1   23   15    0 o   33.470   0.3742   33.390   0.5281   33.550   0.5304 -0.1619000 0.7485000 
1 1 1   23   15    1 o   15.410   0.6387   15.100   0.8508   15.720   0.9530 -0.6291000 1.277000 
1 1 1   23   15    2 o   43.290   0.3987   42.980   0.5569   43.600   0.5706 -0.6264000 0.7974000 
1 1 1   23   15    3 o   81.060   0.5315   81.370   0.7520   80.760   0.7512 0.6069000 1.063000 
1 1 1   23   15    4 o   40.190   0.3477   39.800   0.4847   40.580   0.4986 -0.7845000 0.6953000 
1 1 1   23   15    5 o   32.700   0.3494   33.050   0.4875   32.360   0.5006 0.6929000 0.6988000 
1 1 1   23   15    6 o   7.2080   1.1770   7.0680   1.6320   7.3470   1.6970 -0.2784000 2.354000 
1 1 1   23   15    7 o   19.240   0.4742   20.010   0.6245   18.480   0.7138 1.530000 0.9484000 
1 1 1   23   15    8 o   61.790   0.4329   60.890   0.6055   62.690   0.6189 -1.795000 0.8659000 
1 1 1   23   15    9 o   20.210   0.4647   20.840   0.6261   19.570   0.6869 1.270000 0.9294000 
1 1 1   23   15   10 o   47.880   0.4460   47.740   0.6354   48.020   0.6261 -0.2732000 0.8921000 
1 1 1   23   15   11 o   8.2240   1.2330   11.490   1.4400   4.9540   2.0010 6.540000 2.465000 
1 1 1   23   15   12 o   16.210   0.5931   16.790   0.7997   15.630   0.8762 1.167000 1.186000 
1 1 1   23   15   13 o   4.6290   1.1370   2.6380   1.2990   6.6210   1.8660 -3.983000 2.274000 
1 1 1   23   15   14 o   14.980   0.5413   15.080   0.7454   14.890   0.7851 0.1864000 1.083000 
1 1 1   23   15   15 o   8.3200   0.9755   8.8970   1.2170   7.7440   1.5250 1.153000 1.951000 
1 1 1   23   15   16 o   16.660   0.5606   17.170   0.6670   16.160   0.9012 1.006000 1.121000 
1 1 1   23   15   17 o   19.840   0.5011   19.610   0.6781   20.070   0.7381 -0.4551000 1.002000 
1 1 1   23   15   18 o   6.8690   1.2370   6.9680   1.5710   6.7690   1.9120 0.1985000 2.475000 
1 1 1   23   15   19 o   23.320   0.3883   24.170   0.5385   22.480   0.5596 1.686000 0.7766000 
1 1 1   23   15   20 o   7.1580   1.1070   5.8190   1.7260   8.4970   1.3870 -2.678000 2.214000 
1 1 1   23   15   21 o   3.1830   1.0480   3.3790   1.5400   2.9870   1.4210 0.3921000 2.096000 
1 1 1   23   15   22 o   13.210   0.6619   12.710   0.9636   13.710   0.9077 -0.9978000 1.324000 
1 1 1   23   15   23 o   3.6550   1.1740   3.3950   1.5830   3.9160   1.7340 -0.5209000 2.348000 
1 1 1   23   15   24 o   14.470   0.6465   14.700   0.8913   14.240   0.9368 0.4597000 1.293000 
1 1 1   23   15   25 f   5.4210   1.4520   5.6160   2.0610   5.2260   2.0460 0.3907000 2.904000 
1 1 1   23   15   26 o   6.0040   1.4610   6.8460   2.1470   5.1620   1.9810 1.685000 2.921000 
1 1 1   23   15   27 o   6.7350   1.3530   7.9790   1.8420   5.4910   1.9820 2.488000 2.706000 
1 1 1   23   15   28 o   3.5870   1.2020   3.4680   1.6740   3.7070   1.7260 -0.2395000 2.404000 
1 1 1   23   15   29 o   3.3050   1.0940   4.0920   1.7890   2.5170   1.2590 1.574000 2.188000 
1 1 1   23   15   30 o   2.7480   0.9714   2.5550   1.2900   2.9420   1.4520 -0.3870000 1.943000 
1 1 1   23   17    0 o   23.940   0.3943   24.390   0.5505   23.480   0.5648 0.9109000 0.7886000 
1 1 1   23   17    1 o   18.390   0.4792   18.290   0.6771   18.480   0.6782 -0.1899000 0.9584000 
1 1 1   23   17    2 o   24.340   0.3981   24.040   0.5520   24.650   0.5739 -0.6092000 0.7963000 
1 1 1   23   17    3 o   17.360   0.5137   17.180   0.7138   17.530   0.7390 -0.3455000 1.027000 
1 1 1   23   17    4 o   21.620   0.4322   21.500   0.6013   21.740   0.6209 -0.2445000 0.8643000 
1 1 1   23   17    5 o   29.660   0.3679   30.640   0.4984   28.680   0.5414 1.961000 0.7359000 
1 1 1   23   17    6 o   9.3990   0.9453   9.6180   1.2210   9.1790   1.4430 0.4387000 1.891000 
1 1 1   23   17    7 o   26.530   0.3826   27.230   0.5130   25.820   0.5678 1.415000 0.7652000 
1 1 1   23   17    8 o   15.060   0.8870   15.970   1.1730   14.160   1.3310 1.812000 1.774000 
1 1 1   23   17    9 o   12.110   1.1400   13.050   1.5870   11.160   1.6380 1.895000 2.281000 
1 1 1   23   17   10 o   23.280   0.4572   22.870   0.6457   23.700   0.6473 -0.8315000 0.9143000 
1 1 1   23   17   11 o   9.7890   0.8855   10.970   1.0400   8.6050   1.4340 2.369000 1.771000 
1 1 1   23   17   12 o   6.7620   1.1640   7.6440   1.4710   5.8800   1.8040 1.764000 2.327000 
1 1 1   23   17   13 o   7.0300   1.1360   7.6070   1.4580   6.4540   1.7420 1.153000 2.272000 
1 1 1   23   17   14 o   4.0810   1.1610   4.6540   1.7130   3.5090   1.5690 1.146000 2.323000 
1 1 1   23   17   15 o   14.090   0.6846   14.400   0.8660   13.780   1.0610 0.6201000 1.369000 
1 1 1   23   17   16 o   11.930   0.8141   11.340   1.1430   12.520   1.1590 -1.181000 1.628000 
1 1 1   23   17   17 o   4.4830   1.1350   5.7660   1.7150   3.2010   1.4870 2.565000 2.270000 
1 1 1   23   17   18 o   14.280   0.5955   15.230   0.7523   13.330   0.9232 1.897000 1.191000 
1 1 1   23   17   19 o   8.7230   0.9695   9.4130   1.2100   8.0320   1.5150 1.381000 1.939000 
1 1 1   23   17   20 o   3.4180   1.0930   3.6040   1.5830   3.2310   1.5060 0.3737000 2.185000 
1 1 1   23   17   21 f   3.7070   1.1790   3.4560   1.5810   3.9580   1.7500 -0.5028000 2.358000 
1 1 1   23   17   22 o   3.4710   1.1350   3.0660   1.4660   3.8770   1.7330 -0.8106000 2.270000 
1 1 1   23   17   23 o   2.8330   0.9788   2.6980   1.3240   2.9680   1.4430 -0.2697000 1.958000 
1 1 1   23   17   24 o   5.2020   1.4150   6.2260   2.1310   4.1790   1.8610 2.047000 2.829000 
1 1 1   23   17   25 o   8.3270   1.3570   8.8500   1.9760   7.8040   1.8600 1.046000 2.714000 
1 1 1   23   17   26 o   7.9550   1.5990   8.4980   2.3430   7.4120   2.1780 1.086000 3.199000 
1 1 1   23   17   27 o   2.9080   1.0210   2.8560   1.4220   2.9610   1.4660 -0.1047000 2.042000 
1 1 1   23   17   28 o   2.8240   0.9760   2.4690   1.2370   3.1780   1.5100 -0.7084000 1.952000 
1 1 1   23   17   29 o   2.2350   0.8072   2.2840   1.1630   2.1870   1.1200 0.9773000E-01 1.614000 
1 1 1   23   19    0 o   18.590   0.4643   18.940   0.6422   18.230   0.6706 0.7026000 0.9285000 
1 1 1   23   19    1 o   15.250   0.6369   15.360   0.8709   15.130   0.9295 0.2304000 1.274000 
1 1 1   23   19    2 o   12.950   0.7356   13.290   0.9745   12.600   1.1020 0.6909000 1.471000 
1 1 1   23   19    3 o   17.200   0.5584   17.090   0.7795   17.300   0.7997 -0.2134000 1.117000 
1 1 1   23   19    4 o   48.180   0.4289   48.070   0.6004   48.300   0.6128 -0.2241000 0.8579000 
1 1 1   23   19    5 o   30.050   0.5210   29.690   0.7467   30.410   0.7268 -0.7238000 1.042000 
1 1 1   23   19    6 o   10.470   1.1480   11.020   1.3960   9.9220   1.8230 1.101000 2.296000 
1 1 1   23   19    7 o   10.580   0.7925   10.290   1.0870   10.860   1.1540 -0.5702000 1.585000 
1 1 1   23   19    8 o   16.530   0.5019   16.300   0.6727   16.760   0.7449 -0.4583000 1.004000 
1 1 1   23   19    9 o   27.060   0.3598   26.620   0.4912   27.510   0.5258 -0.8859000 0.7195000 
1 1 1   23   19   10 o   4.0730   1.1820   3.9120   1.6140   4.2340   1.7280 -0.3221000 2.364000 
1 1 1   23   19   11 o   5.3260   1.2520   5.8060   1.7330   4.8460   1.8080 0.9600000 2.505000 
1 1 1   23   19   12 o   4.5720   1.1740   3.3860   1.5210   5.7580   1.7890 -2.372000 2.348000 
1 1 1   23   19   13 o   9.2470   1.0710   10.010   1.2590   8.4830   1.7320 1.528000 2.141000 
1 1 1   23   19   14 f   15.020   0.6457   15.580   0.8269   14.470   0.9920 1.106000 1.291000 
1 1 1   23   19   15 o   19.530   0.4580   20.250   0.6162   18.810   0.6778 1.439000 0.9160000 
1 1 1   23   19   16 o   7.4620   1.1290   6.4250   1.7140   8.5000   1.4700 -2.075000 2.258000 
1 1 1   23   19   17 o   3.8600   1.1590   4.3370   1.7230   3.3820   1.5500 0.9552000 2.318000 
1 1 1   23   19   18 o   7.4620   1.1480   5.8470   1.8090   9.0760   1.4140 -3.230000 2.296000 
1 1 1   23   19   19 o   4.9100   1.3440   5.0560   1.8790   4.7640   1.9220 0.2919000 2.687000 
1 1 1   23   19   20 o   5.2170   1.3570   4.1440   1.7610   6.2910   2.0650 -2.147000 2.714000 
1 1 1   23   19   21 o   5.1720   1.3410   5.2960   1.8530   5.0470   1.9380 0.2498000 2.682000 
1 1 1   23   19   22 o   4.0880   1.2500   3.7180   1.6580   4.4570   1.8720 -0.7395000 2.500000 
1 1 1   23   19   23 o   4.9130   1.4250   5.2860   2.0700   4.5400   1.9590 0.7466000 2.849000 
1 1 1   23   19   24 o   3.1470   1.0770   3.1220   1.4920   3.1710   1.5550 -0.4868000E-01 2.155000 
1 1 1   23   19   25 o   6.0040   1.5030   6.7300   2.1520   5.2770   2.0990 1.453000 3.006000 
1 1 1   23   19   26 o   4.5360   1.2640   5.5540   1.9410   3.5180   1.6200 2.037000 2.529000 
1 1 1   23   19   27 o   3.1840   1.0620   3.5490   1.6160   2.8190   1.3780 0.7294000 2.124000 
1 1 1   23   19   28 o   2.0540   0.7555   2.1070   1.0950   2.0020   1.0410 0.1046000 1.511000 
1 1 1   23   21    0 o   11.990   0.7869   13.100   1.0270   10.880   1.1920 2.226000 1.574000 
1 1 1   23   21    1 o   19.830   0.5017   19.590   0.7220   20.060   0.6968 -0.4663000 1.003000 
1 1 1   23   21    2 o   20.140   0.5200   20.130   0.7081   20.140   0.7618 -0.1043000E-01 1.040000 
1 1 1   23   21    3 o   13.130   0.6385   12.230   0.9102   14.020   0.8957 -1.796000 1.277000 
1 1 1   23   21    4 o   26.740   0.3627   26.700   0.4911   26.780   0.5340 -0.8657000E-01 0.7255000 
1 1 1   23   21    5 o   22.910   0.3981   22.790   0.5381   23.040   0.5869 -0.2467000 0.7963000 
1 1 1   23   21    6 o   30.980   0.3507   30.590   0.4798   31.370   0.5115 -0.7748000 0.7013000 
1 1 1   23   21    7 o   8.0460   1.0370   8.9840   1.2000   7.1080   1.6900 1.875000 2.073000 
1 1 1   23   21    8 o   10.510   0.7523   10.250   1.0220   10.770   1.1050 -0.5207000 1.505000 
1 1 1   23   21    9 f   5.3840   1.2060   6.1640   1.6360   4.6030   1.7720 1.561000 2.412000 
1 1 1   23   21   10 o   3.6970   1.1340   3.6920   1.5810   3.7020   1.6260 -0.9804000E-02 2.268000 
1 1 1   23   21   11 o   9.2270   1.0080   8.1110   1.4770   10.340   1.3720 -2.232000 2.016000 
1 1 1   23   21   12 o   5.5550   1.3850   5.2240   1.9360   5.8860   1.9820 -0.6612000 2.771000 
1 1 1   23   21   13 o   4.3630   1.1860   5.2950   1.7810   3.4320   1.5670 1.863000 2.372000 
1 1 1   23   21   14 o   3.7980   1.1640   3.3940   1.5410   4.2010   1.7450 -0.8071000 2.327000 
1 1 1   23   21   15 o   3.6470   1.1460   3.5630   1.5890   3.7300   1.6530 -0.1663000 2.293000 
1 1 1   23   21   16 o   5.2080   1.3190   4.6370   1.7990   5.7780   1.9300 -1.141000 2.638000 
1 1 1   23   21   17 o   3.7600   1.1800   2.7150   1.3430   4.8040   1.9410 -2.088000 2.360000 
1 1 1   23   21   18 o   5.5140   1.2850   4.1120   1.7430   6.9170   1.8880 -2.804000 2.570000 
1 1 1   23   21   19 o   4.3090   1.2680   4.5710   1.8270   4.0470   1.7580 0.5232000 2.535000 
1 1 1   23   21   20 o   3.7840   1.1730   4.4300   1.7970   3.1380   1.5070 1.292000 2.346000 
1 1 1   23   21   21 o   3.2600   1.1180   2.9420   1.4520   3.5790   1.7000 -0.6373000 2.236000 
1 1 1   23   21   22 o   4.6620   1.4140   4.5790   1.9920   4.7450   2.0090 -0.1651000 2.829000 
1 1 1   23   21   23 o   4.1800   1.3070   3.5510   1.6830   4.8090   1.9990 -1.259000 2.613000 
1 1 1   23   21   24 o   3.2270   1.0850   3.0360   1.4650   3.4170   1.6010 -0.3805000 2.170000 
1 1 1   23   21   25 o   2.9010   0.9998   2.8920   1.4080   2.9100   1.4200 -0.1832000E-01 2.000000 
1 1 1   23   21   26 o   2.7690   0.9742   3.2150   1.5490   2.3220   1.1810 0.8934000 1.948000 
1 1 1   23   23    0 o   10.730   0.7482   11.730   0.9341   9.7350   1.1690 1.994000 1.496000 
1 1 1   23   23    1 o   7.1560   1.1180   7.6380   1.4710   6.6750   1.6850 0.9632000 2.237000 
1 1 1   23   23    2 o   23.650   0.3975   24.150   0.5312   23.140   0.5915 1.008000 0.7950000 
1 1 1   23   23    3 o   4.9570   1.2620   4.5550   1.7210   5.3590   1.8470 -0.8034000 2.524000 
1 1 1   23   23    4 o   23.350   0.4006   23.840   0.5289   22.860   0.6018 0.9838000 0.8012000 
1 1 1   23   23    5 o   26.470   0.3687   26.490   0.4998   26.450   0.5422 0.4178000E-01 0.7374000 
1 1 1   23   23    6 o   18.060   0.4788   18.420   0.6302   17.710   0.7210 0.7113000 0.9576000 
1 1 1   23   23    7 o   17.160   0.5766   17.510   0.7238   16.820   0.8978 0.6853000 1.153000 
1 1 1   23   23    8 o   23.570   0.4620   24.160   0.5895   22.980   0.7114 1.177000 0.9239000 
1 1 1   23   23    9 o   20.380   0.5143   20.430   0.6533   20.330   0.7945 0.1016000 1.029000 
1 1 1   23   23   10 o   11.410   0.7404   10.910   1.0310   11.910   1.0630 -1.007000 1.481000 
1 1 1   23   23   11 o   4.7190   1.2570   4.9410   1.7590   4.4960   1.7960 0.4455000 2.514000 
1 1 1   23   23   12 o   4.5910   1.2630   4.7210   1.7740   4.4610   1.7970 0.2594000 2.525000 
1 1 1   23   23   13 o   9.3520   1.0120   9.1180   1.4570   9.5860   1.4050 -0.4685000 2.024000 
1 1 1   23   23   14 o   10.520   0.9664   10.910   1.2380   10.120   1.4850 0.7931000 1.933000 
1 1 1   23   23   15 o   3.6080   1.1810   3.6170   1.6610   3.5980   1.6800 0.1959000E-01 2.362000 
1 1 1   23   23   16 o   4.2240   1.2630   4.2330   1.7750   4.2160   1.7980 0.1714000E-01 2.526000 
1 1 1   23   23   17 f   5.4360   1.2870   6.7780   1.8550   4.0940   1.7860 2.684000 2.575000 
1 1 1   23   23   18 o   5.4080   1.3690   5.8920   1.9280   4.9240   1.9440 0.9690000 2.738000 
1 1 1   23   23   19 f   3.5570   1.1550   3.9040   1.7270   3.2100   1.5330 0.6937000 2.309000 
1 1 1   23   23   20 o   4.2680   1.3470   4.7890   2.0460   3.7460   1.7520 1.044000 2.693000 
1 1 1   23   23   21 o   3.1950   1.1010   3.2830   1.5870   3.1070   1.5270 0.1763000 2.202000 
1 1 1   23   23   22 o   3.0160   1.0340   2.8730   1.4070   3.1600   1.5150 -0.2867000 2.068000 
1 1 1   23   23   23 o   3.1810   1.0740   3.1130   1.4880   3.2490   1.5480 -0.1362000 2.148000 
1 1 1   23   23   24 o   2.4680   0.8777   2.0570   1.0500   2.8780   1.4070 -0.8213000 1.755000 
1 1 1   23   25    0 o   29.590   0.3877   29.360   0.5017   29.820   0.5913 -0.4571000 0.7755000 
1 1 1   23   25    1 o   10.690   0.8897   9.9950   1.3020   11.380   1.2120 -1.384000 1.779000 
1 1 1   23   25    2 o   13.070   0.7547   13.180   0.9479   12.960   1.1750 0.2152000 1.509000 
1 1 1   23   25    3 o   6.8230   1.3510   6.7530   1.8020   6.8930   2.0130 -0.1401000 2.702000 
1 1 1   23   25    4 o   4.3830   1.2390   5.2040   1.8370   3.5620   1.6630 1.642000 2.478000 
1 1 1   23   25    5 o   5.4370   1.2990   4.9860   1.7820   5.8880   1.8900 -0.9024000 2.597000 
1 1 1   23   25    6 o   12.500   0.6853   13.110   0.8729   11.890   1.0570 1.226000 1.371000 
1 1 1   23   25    7 o   7.5640   1.1510   7.9840   1.4890   7.1450   1.7560 0.8388000 2.302000 
1 1 1   23   25    8 o   8.7070   1.0250   9.5020   1.2570   7.9120   1.6190 1.590000 2.050000 
1 1 1   23   25    9 o   4.1550   1.2620   3.7080   1.6720   4.6010   1.8910 -0.8931000 2.524000 
1 1 1   23   25   10 o   3.6370   1.1840   3.6120   1.6580   3.6610   1.6900 -0.4884000E-01 2.367000 
1 1 1   23   25   11 o   5.4550   1.2950   6.9930   1.8930   3.9180   1.7670 3.075000 2.590000 
1 1 1   23   25   12 o   4.2930   1.2160   5.0350   1.8180   3.5500   1.6160 1.486000 2.433000 
1 1 1   23   25   13 o   3.4860   1.1340   3.1950   1.5050   3.7780   1.6970 -0.5827000 2.268000 
1 1 1   23   25   14 o   7.9550   1.2010   9.0090   1.4650   6.9010   1.9040 2.108000 2.402000 
1 1 1   23   25   15 o   10.080   0.9709   9.9490   1.3490   10.210   1.3970 -0.2634000 1.942000 
1 1 1   23   25   16 o   4.1020   1.2750   4.5200   1.9100   3.6840   1.6880 0.8357000 2.550000 
1 1 1   23   25   17 o   4.2400   1.3070   3.3490   1.5800   5.1310   2.0820 -1.783000 2.614000 
1 1 1   23   25   18 o   4.7120   1.5030   4.6080   2.1130   4.8170   2.1390 -0.2093000 3.007000 
1 1 1   23   25   19 o   3.4670   1.1700   3.6290   1.7080   3.3060   1.5990 0.3231000 2.340000 
1 1 1   23   25   20 o   2.5300   0.8951   2.6310   1.3060   2.4290   1.2250 0.2022000 1.790000 
1 1 1   23   25   21 o   2.0760   0.7503   2.0920   1.0680   2.0610   1.0550 0.3065000E-01 1.501000 
1 1 1   23   25   22 o   2.2660   0.8122   2.1310   1.0840   2.4010   1.2100 -0.2703000 1.624000 
1 1 1   23   27    0 o   16.970   0.6076   16.280   0.8875   17.660   0.8300 -1.379000 1.215000 
1 1 1   23   27    1 o   22.410   0.7157   21.560   0.7246   23.270   1.2340 -1.716000 1.431000 
1 1 1   23   27    2 o   5.6440   1.5010   5.0100   1.9210   6.2780   2.3060 -1.267000 3.001000 
1 1 1   23   27    3 o   9.3340   1.5520   11.360   1.3040   7.3070   2.8170 4.054000 3.105000 
1 1 1   23   27    4 o   12.520   1.4240   13.590   1.0560   11.450   2.6450 2.143000 2.848000 
1 1 1   23   27    5 o   5.8650   1.5960   6.2000   2.0010   5.5300   2.4870 0.6697000 3.192000 
1 1 1   23   27    6 o   4.3530   1.4280   3.7900   1.6620   4.9170   2.3230 -1.127000 2.856000 
1 1 1   23   27    7 o   12.470   1.0270   13.820   0.9204   11.120   1.8350 2.703000 2.053000 
1 1 1   23   27    8 o   18.490   0.6929   18.860   0.7143   18.110   1.1880 0.7465000 1.386000 
1 1 1   23   27    9 o   6.6350   1.2800   8.7080   1.5080   4.5620   2.0680 4.146000 2.559000 
1 1 1   23   27   10 o   10.400   1.2910   13.080   1.0010   7.7290   2.3790 5.346000 2.582000 
1 1 1   23   27   11 o   6.0620   1.5270   5.5440   1.9110   6.5810   2.3830 -1.037000 3.054000 
1 1 1   23   27   12 o   4.0220   1.2580   4.4690   1.8160   3.5740   1.7420 0.8953000 2.517000 
1 1 1   23   27   13 o   4.6150   1.3750   4.9850   1.8910   4.2460   1.9960 0.7384000 2.750000 
1 1 1   23   27   14 o   5.5890   1.4160   6.6580   1.9220   4.5200   2.0810 2.139000 2.833000 
1 1 1   23   27   15 o   3.8470   1.3430   3.6160   1.7720   4.0780   2.0190 -0.4616000 2.686000 
1 1 1   23   27   16 o   3.9390   1.3760   3.3130   1.6480   4.5650   2.2040 -1.252000 2.752000 
1 1 1   23   27   17 o   3.3230   1.1190   3.4440   1.6020   3.2010   1.5610 0.2436000 2.237000 
1 1 1   23   27   18 o   4.8270   1.3670   5.6920   2.0450   3.9630   1.8140 1.729000 2.733000 
1 1 1   23   27   19 o   3.1690   1.0750   3.3120   1.5550   3.0260   1.4860 0.2860000 2.151000 
1 1 1   23   29    0 o   7.1050   1.1890   9.0440   1.4290   5.1660   1.9000 3.877000 2.377000 
1 1 1   23   29    1 o   5.6120   1.3930   5.0880   1.8580   6.1360   2.0760 -1.047000 2.787000 
1 1 1   23   29    2 o   5.1070   1.3080   4.1400   1.7660   6.0750   1.9290 -1.935000 2.615000 
1 1 1   23   29    3 f   5.2850   1.3330   5.8530   1.8890   4.7170   1.8820 1.136000 2.667000 
1 1 1   23   29    4 o   8.1520   1.1810   9.4480   1.4020   6.8570   1.9010 2.591000 2.363000 
1 1 1   23   29    5 o   3.9700   1.2280   3.9190   1.7250   4.0210   1.7490 -0.1020000 2.456000 
1 1 1   23   29    6 o   4.2390   1.2690   4.6170   1.8660   3.8610   1.7210 0.7568000 2.538000 
1 1 1   23   29    7 o   4.0850   1.2230   4.8870   1.8910   3.2820   1.5500 1.605000 2.445000 
1 1 1   23   29    8 o   11.910   0.8418   12.540   1.0990   11.280   1.2750 1.263000 1.684000 
1 1 1   23   29    9 o   4.6030   1.3060   5.3110   1.9580   3.8950   1.7300 1.416000 2.612000 
1 1 1   23   29   10 o   3.7970   1.2350   3.3440   1.6030   4.2490   1.8790 -0.9052000 2.470000 
1 1 1   23   29   11 o   3.5650   1.1900   3.6670   1.7080   3.4620   1.6570 0.2046000 2.380000 
1 1 1   23   29   12 o   3.5090   1.2130   3.7990   1.8220   3.2180   1.6010 0.5812000 2.425000 
1 1 1   23   29   13 o   3.6010   1.2040   3.4230   1.6390   3.7790   1.7650 -0.3561000 2.408000 
1 1 1   23   29   14 f   2.9580   1.0130   3.0420   1.4590   2.8730   1.4060 0.1695000 2.026000 
1 1 1   23   29   15 o   3.6240   1.1640   3.8880   1.7110   3.3590   1.5780 0.5286000 2.328000 
1 1 1   23   29   16 o   2.7370   0.9497   2.9960   1.4380   2.4780   1.2400 0.5179000 1.899000 
1 1 1   23   31    0 o   19.410   0.5962   19.170   0.8213   19.660   0.8646 -0.4958000 1.192000 
1 1 1   23   31    1 o   3.4080   1.1460   3.4470   1.6250   3.3690   1.6170 0.7832000E-01 2.292000 
1 1 1   23   31    2 f   11.190   1.0540   13.020   1.1620   9.3720   1.7590 3.646000 2.108000 
1 1 1   23   31    3 o   3.9570   1.2510   4.4480   1.8820   3.4660   1.6480 0.9823000 2.501000 
1 1 1   23   31    4 o   4.8070   1.3960   4.2870   1.8610   5.3270   2.0820 -1.040000 2.793000 
1 1 1   23   31    5 o   3.8530   1.2390   3.2210   1.5520   4.4850   1.9330 -1.264000 2.479000 
1 1 1   23   31    6 o   2.7580   0.9713   2.9030   1.4290   2.6130   1.3160 0.2910000 1.943000 
1 1 1   23   31    7 o   3.6680   1.2150   3.3870   1.6210   3.9480   1.8110 -0.5607000 2.431000 
1 1 1   23   31    8 o   3.9820   1.2700   4.5830   1.9480   3.3810   1.6300 1.201000 2.540000 
1 1 1   23   31    9 o   4.0430   1.2300   2.6150   1.3140   5.4700   2.0780 -2.855000 2.459000 
1 1 1   23   31   10 f   4.3130   1.2320   3.3380   1.5520   5.2870   1.9140 -1.949000 2.464000 
1 1 1   23   31   11 o   2.6210   0.9181   2.1670   1.1000   3.0740   1.4700 -0.9073000 1.836000 
1 1 1   23   31   12 o   2.2700   0.8103   2.2160   1.1210   2.3230   1.1700 -0.1064000 1.621000 
1 1 1   23   33    0 o   2.2910   0.8237   2.2210   1.1310   2.3610   1.1980 -0.1406000 1.647000 
1 1 1   23   33    1 o   3.5150   1.1600   3.0840   1.4950   3.9450   1.7750 -0.8604000 2.321000 
1 1 1   23   33    2 o   2.3670   0.8489   2.2610   1.1500   2.4740   1.2490 -0.2124000 1.698000 
1 1 1   23   33    3 o   2.7820   0.9769   2.5220   1.2690   3.0420   1.4850 -0.5194000 1.954000 
1 1 1   23   33    4 o   3.2830   1.0810   3.5850   1.6180   2.9810   1.4340 0.6038000 2.162000 
1 1 1   23   33    5 o   2.2260   0.7959   2.3530   1.1800   2.0980   1.0690 0.2552000 1.592000 
1 1 1   24    0    0 o   36.200   0.4901   36.200   0.4901   36.200   0.4901 0.000000 0.000000 
1 1 1   24    0    2 o   8.8120   0.5231   8.8120   0.5231   8.8120   0.5231 0.000000 0.000000 
1 1 1   24    0    3 o   4.6690   1.1500   4.6690   1.1500   4.6690   1.1500 -0.000000 0.000000 
1 1 1   24    0    4 o   29.510   0.3288   29.510   0.3288   29.510   0.3288 0.000000 0.000000 
1 1 1   24    0    5 o   40.520   0.3961   40.520   0.3961   40.520   0.3961 0.000000 0.000000 
1 1 1   24    0    6 o   47.520   0.6441   47.520   0.6441   47.520   0.6441 -0.000000 0.000000 
1 1 1   24    0    7 o   56.410   0.7467   56.410   0.7467   56.410   0.7467 0.000000 0.000000 
1 1 1   24    0    8 o   42.530   0.4258   42.530   0.4258   42.530   0.4258 -0.000000 0.000000 
1 1 1   24    0    9 o   94.890   0.8535   94.890   0.8535   94.890   0.8535 -0.000000 0.000000 
1 1 1   24    0   10 o   52.380   0.5041   52.380   0.5041   52.380   0.5041 -0.000000 0.000000 
1 1 1   24    0   11 o   65.690   0.6110   65.690   0.6110   65.690   0.6110 0.000000 0.000000 
1 1 1   24    0   12 o   3.5250   1.8660   3.5250   1.8660   3.5250   1.8660 0.000000 0.000000 
1 1 1   24    0   13 o   64.450   0.6097   64.450   0.6097   64.450   0.6097 0.000000 0.000000 
1 1 1   24    0   14 o   23.140   0.5151   23.140   0.5151   23.140   0.5151 0.000000 0.000000 
1 1 1   24    0   15 o   3.0820   1.9750   3.0820   1.9750   3.0820   1.9750 0.000000 0.000000 
1 1 1   24    0   16 o   7.9750   2.1450   7.9750   2.1450   7.9750   2.1450 -0.000000 0.000000 
1 1 1   24    0   17 o   43.390   0.4902   43.390   0.4902   43.390   0.4902 0.000000 0.000000 
1 1 1   24    0   18 o   21.760   0.5574   21.760   0.5574   21.760   0.5574 0.000000 0.000000 
1 1 1   24    0   19 o   10.470   1.0500   10.470   1.0500   10.470   1.0500 0.000000 0.000000 
1 1 1   24    0   20 o   6.3980   2.5200   6.3980   2.5200   6.3980   2.5200 -0.000000 0.000000 
1 1 1   24    0   21 f   2.6670   1.7030   2.6670   1.7030   2.6670   1.7030 -0.000000 0.000000 
1 1 1   24    0   22 o   7.3340   1.5650   7.3340   1.5650   7.3340   1.5650 -0.000000 0.000000 
1 1 1   24    0   23 o   2.6230   1.6840   2.6230   1.6840   2.6230   1.6840 -0.000000 0.000000 
1 1 1   24    0   24 o   2.0330   1.4080   2.0330   1.4080   2.0330   1.4080 -0.000000 0.000000 
1 1 1   24    0   25 o   6.4930   1.8850   6.4930   1.8850   6.4930   1.8850 -0.000000 0.000000 
1 1 1   24    0   26 o   4.9730   2.0660   4.9730   2.0660   4.9730   2.0660 0.000000 0.000000 
1 1 1   24    0   27 o   5.0750   2.1920   5.0750   2.1920   5.0750   2.1920 -0.000000 0.000000 
1 1 1   24    0   28 o   6.3620   2.6270   6.3620   2.6270   6.3620   2.6270 -0.000000 0.000000 
1 1 1   24    0   29 o   4.9170   2.3520   4.9170   2.3520   4.9170   2.3520 0.000000 0.000000 
1 1 1   24    0   30 o   7.0500   2.1940   7.0500   2.1940   7.0500   2.1940 0.000000 0.000000 
1 1 1   24    0   31 o   3.9560   2.2260   3.9560   2.2260   3.9560   2.2260 0.000000 0.000000 
1 1 1   24    0   32 o   2.9490   2.0220   2.9490   2.0220   2.9490   2.0220 -0.000000 0.000000 
1 1 1   24    0   33 o   2.8840   1.8770   2.8840   1.8770   2.8840   1.8770 -0.000000 0.000000 
1 1 1   24    2    0 o   20.140   0.2279   20.280   0.3495   19.990   0.2926 0.2927000 0.4558000 
1 1 1   24    2    1 o   63.670   0.4711   64.070   0.6707   63.280   0.6617 0.7812000 0.9422000 
1 1 1   24    2    2 o   23.460   0.2978   23.240   0.3537   23.680   0.4792 -0.4359000 0.5956000 
1 1 1   24    2    3 o   16.550   0.2344   16.980   0.3329   16.120   0.3301 0.8577000 0.4689000 
1 1 1   24    2    4 o   20.780   0.2263   20.880   0.3190   20.670   0.3210 0.2006000 0.4525000 
1 1 1   24    2    5 o   14.980   0.3140   14.710   0.4628   15.240   0.4245 -0.5288000 0.6280000 
1 1 1   24    2    6 o   54.130   0.4113   54.110   0.5828   54.150   0.5805 -0.4225000E-01 0.8225000 
1 1 1   24    2    7 o   22.640   0.2997   22.130   0.4132   23.140   0.4342 -1.008000 0.5994000 
1 1 1   24    2    8 o   55.270   0.3671   55.530   0.5208   55.010   0.5175 0.5216000 0.7342000 
1 1 1   24    2    9 o   34.820   0.2788   34.840   0.3922   34.800   0.3963 0.3260000E-01 0.5576000 
1 1 1   24    2   10 o   4.2040   1.0260   4.4280   1.4430   3.9810   1.4590 0.4470000 2.052000 
1 1 1   24    2   11 o   36.520   0.2988   36.580   0.4240   36.450   0.4210 0.1280000 0.5975000 
1 1 1   24    2   12 o   44.430   0.3308   44.440   0.4660   44.420   0.4696 0.1772000E-01 0.6616000 
1 1 1   24    2   13 o   45.190   0.3407   45.490   0.4827   44.880   0.4809 0.6115000 0.6814000 
1 1 1   24    2   14 o   38.030   0.3288   37.890   0.4619   38.170   0.4681 -0.2814000 0.6577000 
1 1 1   24    2   15 o   29.220   0.4517   28.720   0.6388   29.730   0.6389 -1.009000 0.9035000 
1 1 1   24    2   16 o   7.5440   1.1550   6.0780   1.8780   9.0090   1.3460 -2.931000 2.311000 
1 1 1   24    2   17 o   18.100   0.4517   18.320   0.6236   17.890   0.6536 0.4250000 0.9034000 
1 1 1   24    2   18 o   5.3750   1.2280   5.4170   1.7240   5.3340   1.7480 0.8389000E-01 2.456000 
1 1 1   24    2   19 o   7.2230   1.0180   8.8630   1.1510   5.5820   1.6800 3.281000 2.037000 
1 1 1   24    2   20 o   11.860   0.9685   12.390   1.2570   11.320   1.4730 1.068000 1.937000 
1 1 1   24    2   21 o   8.1360   1.1070   8.6300   1.3270   7.6430   1.7730 0.9870000 2.214000 
1 1 1   24    2   22 o   8.6550   0.8690   9.4840   1.0850   7.8270   1.3580 1.657000 1.738000 
1 1 1   24    2   23 o   8.2200   0.8920   8.2290   1.2420   8.2110   1.2810 0.1850000E-01 1.784000 
1 1 1   24    2   24 o   12.290   0.5921   12.310   0.8378   12.280   0.8368 0.3433000E-01 1.184000 
1 1 1   24    2   25 o   6.3080   1.0740   4.3290   1.6810   8.2870   1.3380 -3.958000 2.149000 
1 1 1   24    2   26 o   4.3790   1.0850   5.9880   1.7100   2.7700   1.3350 3.218000 2.170000 
1 1 1   24    2   27 f   8.1500   1.0520   8.6660   1.3520   7.6350   1.6120 1.031000 2.104000 
1 1 1   24    2   28 o   6.1220   1.3930   4.2050   1.8600   8.0390   2.0730 -3.834000 2.785000 
1 1 1   24    2   29 o   4.2850   1.2600   3.6990   1.6700   4.8710   1.8860 -1.173000 2.520000 
1 1 1   24    2   30 o   3.8810   1.2270   3.5710   1.6430   4.1900   1.8220 -0.6186000 2.454000 
1 1 1   24    2   31 o   6.6630   1.3680   7.4170   1.8630   5.9090   2.0030 1.507000 2.736000 
1 1 1   24    2   32 f   4.2460   1.3840   4.3060   1.9670   4.1850   1.9470 0.1213000 2.768000 
1 1 1   24    2   33 f   3.0920   1.0510   2.9010   1.4140   3.2820   1.5550 -0.3809000 2.101000 
1 1 1   24    4    0 o   23.400   0.2258   24.020   0.2806   22.790   0.3540 1.233000 0.4517000 
1 1 1   24    4    1 o   26.010   0.2560   26.030   0.3604   25.990   0.3636 0.4093000E-01 0.5119000 
1 1 1   24    4    2 o   23.750   0.3205   23.790   0.3709   23.700   0.5227 0.8935000E-01 0.6409000 
1 1 1   24    4    3 o   21.590   0.2429   21.680   0.3460   21.510   0.3411 0.1719000 0.4859000 
1 1 1   24    4    4 o   12.150   0.3366   11.970   0.4851   12.330   0.4669 -0.3566000 0.6733000 
1 1 1   24    4    5 o   7.4130   0.5474   6.3570   0.8815   8.4700   0.6492 -2.113000 1.095000 
1 1 1   24    4    6 o   71.460   0.4594   71.480   0.6493   71.430   0.6501 0.5206000E-01 0.9188000 
1 1 1   24    4    7 o   85.850   0.6336   85.220   0.8884   86.480   0.9036 -1.262000 1.267000 
1 1 1   24    4    8 o  120.700   0.7641  120.000   1.0740  121.400   1.0870 -1.460000 1.528000 
1 1 1   24    4    9 o   55.270   0.3719   55.440   0.5264   55.110   0.5256 0.3298000 0.7439000 
1 1 1   24    4   10 o   53.430   0.3650   53.660   0.5173   53.190   0.5149 0.4652000 0.7299000 
1 1 1   24    4   11 o   32.740   0.2990   32.710   0.4200   32.770   0.4256 -0.5888000E-01 0.5979000 
1 1 1   24    4   12 o   20.250   0.3902   20.810   0.4966   19.680   0.6019 1.132000 0.7803000 
1 1 1   24    4   13 f   16.750   0.4502   16.420   0.6360   17.080   0.6373 -0.6647000 0.9004000 
1 1 1   24    4   14 o   13.570   0.6249   13.720   0.8348   13.420   0.9302 0.2966000 1.250000 
1 1 1   24    4   15 o   22.420   0.4900   22.940   0.6567   21.910   0.7274 1.029000 0.9800000 
1 1 1   24    4   16 o   24.070   0.4404   24.200   0.6278   23.940   0.6178 0.2611000 0.8808000 
1 1 1   24    4   17 o   19.320   0.4378   20.090   0.5884   18.540   0.6484 1.552000 0.8756000 
1 1 1   24    4   18 o   25.000   0.3672   25.140   0.5075   24.870   0.5309 0.2757000 0.7344000 
1 1 1   24    4   19 o   27.260   0.4108   27.410   0.5903   27.100   0.5715 0.3021000 0.8216000 
1 1 1   24    4   20 o   17.390   0.6932   17.650   0.9181   17.140   1.0390 0.5086000 1.386000 
1 1 1   24    4   21 f   16.500   0.5555   16.300   0.7345   16.700   0.8337 -0.4029000 1.111000 
1 1 1   24    4   22 o   12.500   0.6066   12.020   0.8628   12.970   0.8527 -0.9520000 1.213000 
1 1 1   24    4   23 o   7.2580   1.0480   8.4940   1.2230   6.0210   1.7010 2.473000 2.096000 
1 1 1   24    4   24 o   17.790   0.4474   18.310   0.6189   17.260   0.6461 1.042000 0.8947000 
1 1 1   24    4   25 o   9.1550   0.8517   9.7930   1.0900   8.5170   1.3090 1.276000 1.703000 
1 1 1   24    4   26 o   10.100   0.7993   10.280   1.1140   9.9240   1.1460 0.3568000 1.599000 
1 1 1   24    4   27 o   6.2830   1.3130   5.2850   1.8740   7.2800   1.8380 -1.995000 2.625000 
1 1 1   24    4   28 o   3.1980   1.1010   2.9560   1.4540   3.4410   1.6550 -0.4856000 2.203000 
1 1 1   24    4   29 o   4.0920   1.2360   3.4880   1.6130   4.6970   1.8740 -1.209000 2.473000 
1 1 1   24    4   30 o   3.8040   1.1710   4.7490   1.8750   2.8600   1.4030 1.890000 2.342000 
1 1 1   24    4   31 o   3.4390   1.1390   3.1550   1.5120   3.7230   1.7040 -0.5676000 2.278000 
1 1 1   24    4   32 o   3.5550   1.2240   3.9950   1.8900   3.1150   1.5560 0.8799000 2.449000 
1 1 1   24    4   33 o   2.4190   0.8617   2.5020   1.2550   2.3360   1.1810 0.1661000 1.723000 
1 1 1   24    6    1 o   37.570   0.5350   37.570   0.5350  ?   ?       ?      ? 
1 1 1   24    6    2 o   34.960   0.2569   35.170   0.3639   34.760   0.3627 0.4114000 0.5137000 
1 1 1   24    6    3 o   45.590   0.3105   45.690   0.4392   45.480   0.4389 0.2074000 0.6209000 
1 1 1   24    6    4 o   55.970   0.3687   56.090   0.5216   55.850   0.5212 0.2358000 0.7374000 
1 1 1   24    6    5 o   38.400   0.2826   38.780   0.4005   38.010   0.3988 0.7686000 0.5653000 
1 1 1   24    6    6 o   27.230   0.3091   27.470   0.4218   27.000   0.4519 0.4792000 0.6182000 
1 1 1   24    6    7 o   36.230   0.3325   36.140   0.4628   36.310   0.4775 -0.1769000 0.6650000 
1 1 1   24    6    8 f   17.960   0.3279   17.860   0.4573   18.070   0.4701 -0.2117000 0.6558000 
1 1 1   24    6    9 o   59.330   0.3968   59.570   0.5622   59.080   0.5602 0.4820000 0.7936000 
1 1 1   24    6   10 o   6.0380   1.0240   6.0290   1.4360   6.0460   1.4610 -0.1742000E-01 2.048000 
1 1 1   24    6   11 o   64.050   0.4293   64.460   0.6095   63.630   0.6046 0.8320000 0.8585000 
1 1 1   24    6   12 o   45.370   0.3444   45.540   0.4892   45.190   0.4850 0.3542000 0.6889000 
1 1 1   24    6   13 o   27.470   0.3741   27.930   0.5073   27.010   0.5499 0.9132000 0.7481000 
1 1 1   24    6   14 o   44.250   0.3942   43.850   0.5446   44.650   0.5699 -0.7975000 0.7883000 
1 1 1   24    6   15 o   35.650   0.3967   35.690   0.5615   35.610   0.5606 0.8198000E-01 0.7934000 
1 1 1   24    6   16 o   7.1020   1.1640   6.7580   1.6770   7.4460   1.6140 -0.6880000 2.327000 
1 1 1   24    6   17 o   7.6660   1.0540   8.5140   1.2910   6.8170   1.6670 1.698000 2.109000 
1 1 1   24    6   18 o   3.1690   1.0280   2.6690   1.2900   3.6690   1.6000 -1.000000 2.056000 
1 1 1   24    6   19 o   30.110   0.3994   30.080   0.5824   30.150   0.5466 -0.7481000E-01 0.7987000 
1 1 1   24    6   20 o   24.630   0.4367   25.050   0.5708   24.220   0.6611 0.8222000 0.8734000 
1 1 1   24    6   21 o   9.3070   0.8151   9.8740   1.0330   8.7400   1.2610 1.133000 1.630000 
1 1 1   24    6   22 o   10.120   0.7370   10.240   0.9849  10.0000   1.0970 0.2390000 1.474000 
1 1 1   24    6   23 o   5.0650   1.1710   5.9520   1.6490   4.1780   1.6640 1.774000 2.343000 
1 1 1   24    6   24 o   12.300   0.6297   12.090   0.8898   12.510   0.8913 -0.4271000 1.259000 
1 1 1   24    6   25 o   10.850   0.7473   10.600   1.0570   11.100   1.0570 -0.4951000 1.495000 
1 1 1   24    6   26 o   8.0810   1.0570   8.0700   1.4710   8.0930   1.5180 -0.2340000E-01 2.114000 
1 1 1   24    6   27 o   3.6670   1.1790   3.7250   1.6690   3.6080   1.6650 0.1164000 2.358000 
1 1 1   24    6   28 o   4.2490   1.2980   3.8000   1.7180   4.6980   1.9470 -0.8973000 2.597000 
1 1 1   24    6   29 o   4.0990   1.2570   4.1110   1.7760   4.0870   1.7790 0.2402000E-01 2.513000 
1 1 1   24    6   30 o   4.3040   1.2950   4.2140   1.7960   4.3930   1.8650 -0.1787000 2.589000 
1 1 1   24    6   31 o   6.4860   1.5250   6.8110   2.1550   6.1610   2.1570 0.6500000 3.049000 
1 1 1   24    6   32 o   3.0850   1.0710   3.2010   1.5600   2.9690   1.4670 0.2326000 2.141000 
1 1 1   24    6   33 o   2.9760   1.0210   2.8280   1.3880   3.1240   1.4980 -0.2958000 2.042000 
1 1 1   24    8    0 o   52.570   0.3785   51.670   0.4853   53.470   0.5809 -1.797000 0.7569000 
1 1 1   24    8    1 o   34.430   0.3063   35.110   0.4254   33.750   0.4410 1.360000 0.6127000 
1 1 1   24    8    2 o   31.490   0.2588   31.720   0.3625   31.270   0.3693 0.4481000 0.5175000 
1 1 1   24    8    3 o  104.800   0.6653  105.000   0.9427  104.600   0.9390 0.3705000 1.331000 
1 1 1   24    8    4 o   43.570   0.3100   43.920   0.4395   43.230   0.4372 0.6954000 0.6199000 
1 1 1   24    8    5 o   86.380   0.6391   86.470   0.9043   86.290   0.9034 0.1821000 1.278000 
1 1 1   24    8    6 o   24.060   0.4121   22.850   0.4751   25.270   0.6734 -2.418000 0.8241000 
1 1 1   24    8    7 o   32.630   0.2859   32.790   0.4026   32.460   0.4060 0.3342000 0.5717000 
1 1 1   24    8    8 o   48.300   0.3442   48.120   0.4836   48.480   0.4899 -0.3666000 0.6884000 
1 1 1   24    8    9 o   34.910   0.3063   34.890   0.4270   34.940   0.4393 -0.5342000E-01 0.6126000 
1 1 1   24    8   10 o   15.240   0.4590   14.780   0.6374   15.710   0.6607 -0.9281000 0.9180000 
1 1 1   24    8   11 o   15.770   0.4743   15.450   0.6587   16.090   0.6825 -0.6332000 0.9485000 
1 1 1   24    8   12 o   40.090   0.3772   40.190   0.5231   39.990   0.5435 0.1948000 0.7543000 
1 1 1   24    8   13 o   23.790   0.3825   23.670   0.5279   23.910   0.5538 -0.2415000 0.7651000 
1 1 1   24    8   14 o   9.1120   0.9018   8.9280   1.2740   9.2960   1.2770 -0.3677000 1.804000 
1 1 1   24    8   15 o   26.760   0.4280   27.330   0.6005   26.180   0.6101 1.143000 0.8561000 
1 1 1   24    8   16 o   32.690   0.3409   32.690   0.4763   32.690   0.4877 -0.1312000E-02 0.6817000 
1 1 1   24    8   17 o   5.0020   1.2410   4.9080   1.7290   5.0970   1.7790 -0.1893000 2.481000 
1 1 1   24    8   18 o   7.9560   1.1250   7.4550   1.7080   8.4570   1.4630 -1.002000 2.249000 
1 1 1   24    8   19 o   17.840   0.4574   18.270   0.6099   17.400   0.6817 0.8670000 0.9147000 
1 1 1   24    8   20 o   17.340   0.5347   17.640   0.6761   17.050   0.8285 0.5870000 1.069000 
1 1 1   24    8   21 o   14.100   0.5405   14.700   0.7119   13.510   0.8136 1.189000 1.081000 
1 1 1   24    8   22 o   3.7540   1.0930   4.5230   1.6720   2.9860   1.4090 1.537000 2.186000 
1 1 1   24    8   23 o   6.3970   1.1530   5.1710   1.7310   7.6230   1.5230 -2.451000 2.306000 
1 1 1   24    8   24 o   7.0110   1.1050   6.4520   1.6000   7.5700   1.5230 -1.118000 2.209000 
1 1 1   24    8   25 o   6.3650   1.2070   6.6250   1.6390   6.1060   1.7730 0.5192000 2.415000 
1 1 1   24    8   26 o   4.9540   1.3140   4.5000   1.7810   5.4080   1.9330 -0.9078000 2.628000 
1 1 1   24    8   27 o   4.0340   1.2430   4.4710   1.8360   3.5980   1.6770 0.8727000 2.487000 
1 1 1   24    8   28 o   4.0850   1.2970   4.1980   1.8640   3.9720   1.8050 0.2258000 2.595000 
1 1 1   24    8   29 f   6.9600   1.3630   7.4930   1.8530   6.4280   1.9990 1.065000 2.726000 
1 1 1   24    8   30 o   6.0370   1.3660   6.8870   1.8900   5.1870   1.9720 1.700000 2.732000 
1 1 1   24    8   31 f   3.2060   1.1050   3.0160   1.4910   3.3960   1.6320 -0.3803000 2.210000 
1 1 1   24    8   32 o   2.9040   1.0190   3.1710   1.5480   2.6370   1.3260 0.5338000 2.038000 
1 1 1   24   10    0 o   75.490   0.6274   73.750   0.9585   77.240   0.8099 -3.495000 1.255000 
1 1 1   24   10    1 o   82.180   0.6442   80.680   1.0410   83.690   0.7590 -3.016000 1.288000 
1 1 1   24   10    2 o   74.440   0.5904   73.610   0.9594   75.270   0.6884 -1.665000 1.181000 
1 1 1   24   10    3 o   34.850   0.3907   36.070   0.6160   33.640   0.4808 2.427000 0.7814000 
1 1 1   24   10    4 o   64.410   0.6989  ?   ?    64.410   0.6989      ?      ? 
1 1 1   24   10    5 f   19.700   0.4667   20.000   0.7959   19.410   0.4876 0.5850000 0.9334000 
1 1 1   24   10    6 o   28.450   0.4075   28.700   0.6923   28.200   0.4302 0.5060000 0.8150000 
1 1 1   24   10    7 o   11.370   0.8036   13.060   1.2720   9.6820   0.9829 3.380000 1.607000 
1 1 1   24   10    8 f   39.310   0.3260   39.490   0.4603   39.140   0.4617 0.3463000 0.6520000 
1 1 1   24   10    9 o   20.060   0.3933   19.860   0.5463   20.260   0.5660 -0.3954000 0.7866000 
1 1 1   24   10   10 o   18.320   0.4700   18.060   0.6475   18.580   0.6815 -0.5170000 0.9401000 
1 1 1   24   10   11 o   13.380   0.6302   13.480   0.8611   13.270   0.9204 0.2096000 1.260000 
1 1 1   24   10   12 o   24.620   0.3767   24.930   0.5195   24.320   0.5456 0.6163000 0.7534000 
1 1 1   24   10   13 o   21.930   0.4148   22.250   0.5663   21.600   0.6063 0.6479000 0.8296000 
1 1 1   24   10   14 o   11.350   0.9216   12.340   1.2100   10.370   1.3900 1.974000 1.843000 
1 1 1   24   10   15 o   15.330   0.5487   16.060   0.7217   14.600   0.8266 1.461000 1.097000 
1 1 1   24   10   16 o   7.0070   1.2690   6.3980   1.8730   7.6170   1.7130 -1.219000 2.539000 
1 1 1   24   10   17 f   16.690   0.5511   16.520   0.7906   16.860   0.7681 -0.3379000 1.102000 
1 1 1   24   10   18 o   17.750   0.4473   17.580   0.6180   17.920   0.6468 -0.3315000 0.8946000 
1 1 1   24   10   19 o   11.920   0.7692   12.700   0.8871   11.150   1.2570 1.553000 1.538000 
1 1 1   24   10   20 o   6.6650   1.1080   6.2760   1.5660   7.0550   1.5680 -0.7785000 2.216000 
1 1 1   24   10   21 o   6.2300   1.2070   5.2850   1.6860   7.1750   1.7290 -1.890000 2.415000 
1 1 1   24   10   22 o   11.080   0.6953   10.840   0.9517   11.330   1.0140 -0.4940000 1.391000 
1 1 1   24   10   23 o   7.5150   1.0780   8.8090   1.2250   6.2210   1.7730 2.588000 2.155000 
1 1 1   24   10   24 o   5.4390   1.2670   5.7070   1.7620   5.1710   1.8200 0.5356000 2.534000 
1 1 1   24   10   25 o   4.2520   1.2470   4.6080   1.8020   3.8960   1.7230 0.7118000 2.494000 
1 1 1   24   10   26 o   3.9900   1.2410   3.6340   1.6500   4.3470   1.8530 -0.7127000 2.481000 
1 1 1   24   10   27 o   4.1770   1.2590   3.0510   1.4890   5.3040   2.0310 -2.253000 2.519000 
1 1 1   24   10   28 o   4.7750   1.2780   6.0160   1.9590   3.5350   1.6410 2.481000 2.555000 
1 1 1   24   10   29 o   5.1280   1.3770   5.3680   1.9600   4.8880   1.9330 0.4801000 2.753000 
1 1 1   24   10   30 o   3.7750   1.2490   3.8850   1.8030   3.6650   1.7300 0.2201000 2.499000 
1 1 1   24   10   31 o   2.9280   1.0260   2.9030   1.4450   2.9520   1.4570 -0.4829000E-01 2.053000 
1 1 1   24   10   32 o   2.7280   0.9537   2.9610   1.4420   2.4950   1.2490 0.4667000 1.907000 
1 1 1   24   12    0 o   40.220   0.3569   39.970   0.5028   40.470   0.5068 -0.4997000 0.7139000 
1 1 1   24   12    1 o   67.850   0.5167   65.770   0.7093   69.920   0.7516 -4.146000 1.033000 
1 1 1   24   12    2 o   37.180   0.3553   36.270   0.4908   38.090   0.5140 -1.815000 0.7106000 
1 1 1   24   12    3 o   89.190   0.5734   88.630   0.8051   89.760   0.8169 -1.129000 1.147000 
1 1 1   24   12    4 o   22.310   0.3483   21.970   0.4780   22.660   0.5069 -0.6910000 0.6967000 
1 1 1   24   12    5 o   53.670   0.3790   53.610   0.5312   53.730   0.5407 -0.1161000 0.7580000 
1 1 1   24   12    6 o   31.380   0.4559   30.290   0.7244   32.470   0.5536 -2.179000 0.9117000 
1 1 1   24   12    7 o   26.660   0.3777   25.920   0.5234   27.400   0.5447 -1.479000 0.7554000 
1 1 1   24   12    8 o   61.120   0.5339   59.200   0.8069   63.040   0.6993 -3.838000 1.068000 
1 1 1   24   12    9 o   12.160   0.9994   11.670   1.7590   12.650   0.9493 -0.9831000 1.999000 
1 1 1   24   12   10 o   11.280   1.0380   11.080   1.8030   11.490   1.0300 -0.4064000 2.076000 
1 1 1   24   12   11 o   29.710   0.4731   30.440   0.7906   28.980   0.5198 1.457000 0.9461000 
1 1 1   24   12   12 o   18.050   0.6782   17.390   1.1720   18.700   0.6830 -1.304000 1.356000 
1 1 1   24   12   13 o   41.130   0.5235   42.120   0.7628   40.150   0.7172 1.977000 1.047000 
1 1 1   24   12   14 o   19.080   0.6359   18.320   1.0900   19.840   0.6551 -1.516000 1.272000 
1 1 1   24   12   15 o   6.5660   1.7340   6.9630   2.9070   6.1680   1.8920 0.7945000 3.468000 
1 1 1   24   12   16 o   27.640   0.4707   27.880   0.7878   27.390   0.5153 0.4852000 0.9414000 
1 1 1   24   12   17 o   11.200   0.9191   11.510   1.4960   10.890   1.0680 0.6188000 1.838000 
1 1 1   24   12   18 o   19.370   0.5994   19.390   0.9038   19.350   0.7876 0.4262000E-01 1.199000 
1 1 1   24   12   19 o   14.730   0.6969   15.080   1.1370   14.390   0.8064 0.6959000 1.394000 
1 1 1   24   12   20 o   3.6300   1.1720   3.9310   1.8010   3.3300   1.5010 0.6010000 2.345000 
1 1 1   24   12   21 f   7.5030   1.2870   8.0550   2.0030   6.9510   1.6150 1.104000 2.573000 
1 1 1   24   12   22 o   5.5510   1.3730   5.4670   2.0860   5.6350   1.7860 -0.1676000 2.747000 
1 1 1   24   12   23 o   5.8100   1.4270   6.2190   2.1960   5.4010   1.8210 0.8177000 2.853000 
1 1 1   24   12   24 o   8.6080   1.4410   7.9760   2.4590   9.2400   1.5040 -1.264000 2.883000 
1 1 1   24   12   25 f   9.1470   1.4350   10.340   2.1770   7.9590   1.8690 2.377000 2.869000 
1 1 1   24   12   26 o   6.7260   1.5270   6.1120   2.2650   7.3390   2.0480 -1.227000 3.053000 
1 1 1   24   12   27 o   4.4380   1.3850   5.4150   2.2170   3.4600   1.6600 1.955000 2.770000 
1 1 1   24   12   28 f   2.8300   1.0010   3.0760   1.5260   2.5830   1.2970 0.4938000 2.003000 
1 1 1   24   12   29 o   5.0560   1.5870   5.0820   2.3850   5.0290   2.0940 0.5233000E-01 3.174000 
1 1 1   24   12   30 o   3.0220   1.0570   3.1770   1.5790   2.8670   1.4060 0.3099000 2.114000 
1 1 1   24   12   31 o   2.4560   0.8843   2.4070   1.2330   2.5050   1.2670 -0.9778000E-01 1.769000 
1 1 1   24   14    0 o   37.000   0.3794   36.520   0.5325   37.480   0.5405 -0.9650000 0.7588000 
1 1 1   24   14    1 o   24.910   0.4520   25.510   0.5430   24.310   0.7227 1.200000 0.9040000 
1 1 1   24   14    2 o   57.850   0.4607   57.700   0.6470   58.010   0.6561 -0.3066000 0.9215000 
1 1 1   24   14    3 f   40.800   0.3855   40.500   0.5388   41.090   0.5516 -0.5841000 0.7711000 
1 1 1   24   14    4 o   60.090   0.4764   59.250   0.6630   60.920   0.6842 -1.670000 0.9528000 
1 1 1   24   14    5 o   5.4350   1.2780   6.3160   1.8040   4.5550   1.8120 1.761000 2.557000 
1 1 1   24   14    6 o   17.690   0.4811   18.230   0.6370   17.150   0.7213 1.081000 0.9623000 
1 1 1   24   14    7 o   32.400   0.3534   32.380   0.4945   32.420   0.5051 -0.3776000E-01 0.7068000 
1 1 1   24   14    8 o   46.980   0.3698   46.980   0.5217   46.980   0.5244 -0.6050000E-02 0.7397000 
1 1 1   24   14    9 o   12.070   0.7077   11.860   0.9921   12.280   1.0090 -0.4228000 1.415000 
1 1 1   24   14   10 o   6.8020   1.2080   5.7120   1.8000   7.8920   1.6110 -2.179000 2.416000 
1 1 1   24   14   11 o   32.280   0.4413   31.980   0.6337   32.570   0.6144 -0.5887000 0.8826000 
1 1 1   24   14   12 o   27.950   0.5411   28.440   0.8573   27.470   0.6604 0.9677000 1.082000 
1 1 1   24   14   13 o   27.730   0.4131   27.860   0.5826   27.610   0.5859 0.2444000 0.8262000 
1 1 1   24   14   14 o   8.1560   1.0380   6.5920   1.6510   9.7190   1.2570 -3.127000 2.075000 
1 1 1   24   14   15 o   4.0110   1.1480   3.2230   1.4680   4.8000   1.7640 -1.576000 2.295000 
1 1 1   24   14   16 o   4.9460   1.2160   5.4540   1.6960   4.4370   1.7440 1.017000 2.433000 
1 1 1   24   14   17 f   21.980   0.4641   21.690   0.6192   22.270   0.6914 -0.5887000 0.9282000 
1 1 1   24   14   18 o   5.7030   1.1950   7.0800   1.6230   4.3270   1.7540 2.753000 2.390000 
1 1 1   24   14   19 o   8.2820   0.9902   9.6490   1.0940   6.9150   1.6510 2.734000 1.980000 
1 1 1   24   14   20 o   12.200   0.6587   11.040   0.9895   13.370   0.8698 -2.329000 1.317000 
1 1 1   24   14   21 o   2.9830   0.9942   3.2570   1.4940   2.7090   1.3120 0.5480000 1.988000 
1 1 1   24   14   22 o   7.3380   1.1510   6.7240   1.6780   7.9530   1.5750 -1.230000 2.301000 
1 1 1   24   14   23 o   9.4200   1.0290   10.180   1.3210   8.6640   1.5780 1.513000 2.057000 
1 1 1   24   14   24 o   5.1000   1.3450   5.8320   1.9490   4.3670   1.8540 1.465000 2.690000 
1 1 1   24   14   25 o   5.3850   1.3360   4.5030   1.8320   6.2670   1.9460 -1.764000 2.672000 
1 1 1   24   14   26 o   6.9250   1.4150   5.3670   2.0910   8.4840   1.9070 -3.117000 2.830000 
1 1 1   24   14   27 o   3.7680   1.1930   4.3370   1.8360   3.2000   1.5250 1.137000 2.386000 
1 1 1   24   14   28 o   4.8880   1.3530   3.5220   1.6820   6.2550   2.1200 -2.733000 2.706000 
1 1 1   24   14   29 o   3.2970   1.0940   4.0270   1.7760   2.5670   1.2770 1.460000 2.187000 
1 1 1   24   14   30 o   3.2350   1.1050   3.0190   1.4780   3.4500   1.6440 -0.4308000 2.211000 
1 1 1   24   16    0 o   29.010   0.3500   29.520   0.4872   28.490   0.5026 1.021000 0.7000000 
1 1 1   24   16    1 o   21.440   0.4526   20.800   0.6073   22.070   0.6712 -1.271000 0.9052000 
1 1 1   24   16    2 o   51.970   0.3817   51.970   0.5362   51.970   0.5434 -0.4196000E-03 0.7634000 
1 1 1   24   16    3 o   17.080   0.5259   16.920   0.7311   17.240   0.7562 -0.3129000 1.052000 
1 1 1   24   16    4 f   19.700   0.4662   19.390   0.6497   20.000   0.6687 -0.6082000 0.9323000 
1 1 1   24   16    5 o   21.010   0.4390   20.320   0.6178   21.690   0.6238 -1.375000 0.8780000 
1 1 1   24   16    6 o   13.330   0.6399   13.550   0.8415   13.120   0.9643 0.4225000 1.280000 
1 1 1   24   16    7 f   4.3750   1.2310   4.7780   1.7640   3.9720   1.7170 0.8056000 2.462000 
1 1 1   24   16    8 o   26.550   0.3861   26.410   0.5355   26.680   0.5564 -0.2701000 0.7722000 
1 1 1   24   16    9 o   14.010   0.7968   15.290   1.0410   12.730   1.2060 2.559000 1.594000 
1 1 1   24   16   10 o   14.450   0.9391   14.190   1.4440   14.710   1.2010 -0.5179000 1.878000 
1 1 1   24   16   11 o   20.330   0.4956   20.920   0.6816   19.740   0.7195 1.183000 0.9911000 
1 1 1   24   16   12 o   18.640   0.4692   19.220   0.6186   18.070   0.7056 1.148000 0.9384000 
1 1 1   24   16   13 o   18.340   0.4657   17.790   0.6476   18.900   0.6695 -1.101000 0.9314000 
1 1 1   24   16   14 o   4.3870   1.2090   4.6420   1.7120   4.1320   1.7080 0.5107000 2.418000 
1 1 1   24   16   15 o   14.030   0.5779   13.980   0.7992   14.080   0.8349 -0.9687000E-01 1.156000 
1 1 1   24   16   16 o   11.110   0.8979   11.990   1.0580   10.230   1.4510 1.760000 1.796000 
1 1 1   24   16   17 o   5.4160   1.2440   4.9980   1.7400   5.8340   1.7790 -0.8356000 2.488000 
1 1 1   24   16   18 o   12.080   0.6768   12.510   0.8617   11.650   1.0440 0.8591000 1.354000 
1 1 1   24   16   19 o   7.4020   1.1200   7.9290   1.4630   6.8750   1.6970 1.054000 2.240000 
1 1 1   24   16   20 o   6.5250   1.2320   6.1930   1.7470   6.8570   1.7360 -0.6640000 2.463000 
1 1 1   24   16   21 o   3.5950   1.1370   3.6620   1.6210   3.5290   1.5940 0.1333000 2.274000 
1 1 1   24   16   22 o   3.4200   1.1130   3.8850   1.7030   2.9560   1.4350 0.9292000 2.227000 
1 1 1   24   16   23 o   3.4500   1.1200   2.9780   1.4240   3.9230   1.7290 -0.9456000 2.240000 
1 1 1   24   16   24 o   3.1980   1.0660   3.5850   1.6220   2.8110   1.3840 0.7744000 2.133000 
1 1 1   24   16   25 o   5.3930   1.4690   5.3490   2.0620   5.4380   2.0930 -0.8883000E-01 2.938000 
1 1 1   24   16   26 o   3.6320   1.1750   3.2180   1.5370   4.0460   1.7770 -0.8284000 2.350000 
1 1 1   24   16   27 o   3.4470   1.1690   3.3480   1.6130   3.5460   1.6910 -0.1983000 2.337000 
1 1 1   24   16   28 o   2.9070   1.0000   2.9100   1.4140   2.9040   1.4150 0.6543000E-02 2.000000 
1 1 1   24   16   29 o   2.0750   0.7538   2.1280   1.0900   2.0220   1.0410 0.1062000 1.508000 
1 1 1   24   18    0 o   20.000   0.4392   20.160   0.6177   19.840   0.6244 0.3237000 0.8783000 
1 1 1   24   18    1 o   33.230   0.3703   33.380   0.4826   33.080   0.5618 0.3019000 0.7406000 
1 1 1   24   18    2 o   36.500   0.3471   36.750   0.4823   36.250   0.4992 0.5022000 0.6941000 
1 1 1   24   18    3 o   7.7740   1.1060   8.9610   1.3080   6.5870   1.7840 2.374000 2.212000 
1 1 1   24   18    4 o   24.140   0.3995   24.430   0.5398   23.850   0.5891 0.5730000 0.7990000 
1 1 1   24   18    5 o   26.450   0.4231   27.110   0.5793   25.800   0.6169 1.314000 0.8463000 
1 1 1   24   18    6 o   24.160   0.4451   23.850   0.6100   24.480   0.6483 -0.6329000 0.8902000 
1 1 1   24   18    7 o   21.130   0.6361   21.650   0.8719   20.620   0.9266 1.028000 1.272000 
1 1 1   24   18    8 o   4.9050   1.3940   5.0340   1.9630   4.7750   1.9800 0.2585000 2.788000 
1 1 1   24   18    9 o   3.6080   1.0920   4.2470   1.6590   2.9690   1.4220 1.278000 2.185000 
1 1 1   24   18   10 o   18.100   0.4699   18.270   0.6367   17.930   0.6912 0.3409000 0.9397000 
1 1 1   24   18   11 o   6.8170   1.1440   5.5790   1.7610   8.0560   1.4600 -2.477000 2.288000 
1 1 1   24   18   12 o   11.110   0.7267   11.470   0.9735   10.740   1.0790 0.7293000 1.453000 
1 1 1   24   18   13 o   7.7110   1.0540   6.7180   1.6080   8.7050   1.3630 -1.987000 2.108000 
1 1 1   24   18   14 o   13.250   0.7289   13.570   0.9313   12.920   1.1220 0.6570000 1.458000 
1 1 1   24   18   15 o   13.300   0.7281   13.730   0.9213   12.880   1.1280 0.8522000 1.456000 
1 1 1   24   18   16 o   7.2910   1.1080   7.1740   1.5320   7.4090   1.6010 -0.2342000 2.216000 
1 1 1   24   18   17 o   5.4600   1.1400   7.1510   1.5740   3.7690   1.6480 3.382000 2.279000 
1 1 1   24   18   18 o   4.2670   1.1890   3.2410   1.4920   5.2930   1.8520 -2.052000 2.378000 
1 1 1   24   18   19 o   3.4180   1.1040   3.5580   1.5870   3.2780   1.5350 0.2799000 2.208000 
1 1 1   24   18   20 o   7.6150   1.2860   8.0310   1.7080   7.1980   1.9210 0.8335000 2.571000 
1 1 1   24   18   21 o   4.4630   1.2470   5.1870   1.8400   3.7390   1.6840 1.448000 2.494000 
1 1 1   24   18   22 o   5.4610   1.3520   5.6270   1.8870   5.2950   1.9360 0.3324000 2.704000 
1 1 1   24   18   23 o   6.3850   1.4430   6.3570   1.9160   6.4130   2.1570 -0.5591000E-01 2.885000 
1 1 1   24   18   24 o   3.6360   1.2040   3.1610   1.5450   4.1110   1.8480 -0.9494000 2.409000 
1 1 1   24   18   25 o   5.5910   1.5140   5.1450   2.0820   6.0370   2.1970 -0.8916000 3.027000 
1 1 1   24   18   26 o   4.6340   1.4120   4.8900   2.0430   4.3780   1.9510 0.5117000 2.825000 
1 1 1   24   18   27 o   3.6300   1.1620   4.0320   1.7450   3.2280   1.5340 0.8037000 2.324000 
1 1 1   24   18   28 o   2.6420   0.9370   2.6020   1.3050   2.6820   1.3450 -0.8002000E-01 1.874000 
1 1 1   24   20    0 o   8.9710   1.0400   8.4180   1.5030   9.5240   1.4370 -1.106000 2.080000 
1 1 1   24   20    1 o   6.2580   1.3330   5.9110   1.8600   6.6060   1.9100 -0.6957000 2.666000 
1 1 1   24   20    2 o   8.8260   1.1690   8.0820   1.7390   9.5700   1.5620 -1.488000 2.338000 
1 1 1   24   20    3 o   27.640   0.4322   27.430   0.6010   27.860   0.6214 -0.4309000 0.8645000 
1 1 1   24   20    4 o   28.200   0.4301   28.380   0.5961   28.020   0.6200 0.3594000 0.8601000 
1 1 1   24   20    5 o   24.000   0.4707   24.610   0.6408   23.390   0.6897 1.222000 0.9414000 
1 1 1   24   20    6 o   8.7990   0.9329   8.0580   1.3640   9.5400   1.2730 -1.482000 1.866000 
1 1 1   24   20    7 o   21.300   0.4164   21.430   0.5574   21.170   0.6186 0.2558000 0.8327000 
1 1 1   24   20    8 o   9.7970   0.8253   9.1830   1.1840   10.410   1.1500 -1.228000 1.651000 
1 1 1   24   20    9 o   12.000   0.6547   11.220   0.9392   12.780   0.9125 -1.561000 1.309000 
1 1 1   24   20   10 o   7.8800   1.0250   6.7680   1.5510   8.9910   1.3410 -2.223000 2.050000 
1 1 1   24   20   11 o   3.9440   1.1810   3.5130   1.5810   4.3760   1.7550 -0.8630000 2.362000 
1 1 1   24   20   12 o   5.6880   1.2390   7.2430   1.7110   4.1340   1.7910 3.109000 2.477000 
1 1 1   24   20   13 o   7.2070   1.2200   8.7180   1.4450   5.6960   1.9660 3.022000 2.440000 
1 1 1   24   20   14 o   13.050   0.6588   12.560   0.9304   13.540   0.9331 -0.9764000 1.318000 
1 1 1   24   20   15 o   11.080   0.7699   11.560   1.0170   10.600   1.1560 0.9592000 1.540000 
1 1 1   24   20   16 o   3.9930   1.1860   3.3070   1.5210   4.6780   1.8210 -1.371000 2.373000 
1 1 1   24   20   17 o   3.1030   1.0380   2.9540   1.4110   3.2510   1.5220 -0.2970000 2.076000 
1 1 1   24   20   18 o   3.1870   1.0750   2.8710   1.3950   3.5020   1.6360 -0.6309000 2.150000 
1 1 1   24   20   19 o   9.3720   1.0030   8.9940   1.4340   9.7510   1.4030 -0.7563000 2.006000 
1 1 1   24   20   20 o   8.9810   1.0950   9.5410   1.3770   8.4210   1.7030 1.120000 2.190000 
1 1 1   24   20   21 o   3.3430   1.1050   3.5280   1.6080   3.1570   1.5160 0.3712000 2.210000 
1 1 1   24   20   22 o   3.5490   1.1930   3.9270   1.8090   3.1710   1.5540 0.7566000 2.385000 
1 1 1   24   20   23 o   4.3070   1.3290   3.5440   1.6900   5.0700   2.0510 -1.526000 2.658000 
1 1 1   24   20   24 o   4.2110   1.3370   3.8850   1.7830   4.5380   1.9910 -0.6529000 2.673000 
1 1 1   24   20   25 o   2.9130   1.0040   3.1330   1.4990   2.6930   1.3350 0.4398000 2.007000 
1 1 1   24   20   26 o   2.2400   0.8020   2.0960   1.0680   2.3840   1.1970 -0.2877000 1.604000 
1 1 1   24   20   27 o   1.9210   0.7071   1.8980   0.9881   1.9440   1.0120 -0.4652000E-01 1.414000 
1 1 1   24   22    0 o   12.460   0.6260   11.830   0.9171   13.100   0.8524 -1.270000 1.252000 
1 1 1   24   22    1 o   13.410   0.5900   12.530   0.8705   14.300   0.7967 -1.773000 1.180000 
1 1 1   24   22    2 o   15.640   0.5248   15.410   0.7190   15.870   0.7646 -0.4613000 1.050000 
1 1 1   24   22    3 o   3.6000   1.1210   3.5070   1.5390   3.6940   1.6300 -0.1869000 2.241000 
1 1 1   24   22    4 o   17.540   0.4824   17.560   0.6427   17.520   0.7197 0.3932000E-01 0.9649000 
1 1 1   24   22    5 o   9.9090   0.8444   11.250   0.9353   8.5680   1.4060 2.682000 1.689000 
1 1 1   24   22    6 o   8.3880   0.9713   7.6970   1.4110   9.0800   1.3350 -1.382000 1.943000 
1 1 1   24   22    7 o   9.5050   0.8572   9.0520   1.1780   9.9590   1.2460 -0.9072000 1.714000 
1 1 1   24   22    8 o   23.100   0.4053   23.470   0.5358   22.730   0.6081 0.7448000 0.8105000 
1 1 1   24   22    9 o   10.580   0.9364   11.770   1.0480   9.3890   1.5520 2.385000 1.873000 
1 1 1   24   22   10 o   5.3580   1.2880   6.3140   1.7770   4.4030   1.8650 1.912000 2.576000 
1 1 1   24   22   11 o   5.9500   1.2440   6.5220   1.6630   5.3770   1.8500 1.145000 2.487000 
1 1 1   24   22   12 o   11.480   0.7441   11.150   1.0160   11.820   1.0870 -0.6744000 1.488000 
1 1 1   24   22   13 o   8.9990   1.0320   9.4150   1.3960   8.5820   1.5190 0.8323000 2.063000 
1 1 1   24   22   14 o   14.720   0.6570   14.080   0.8940   15.360   0.9630 -1.278000 1.314000 
1 1 1   24   22   15 o   14.190   0.7428   14.300   0.9873   14.080   1.1100 0.2164000 1.486000 
1 1 1   24   22   16 o   5.2410   1.3880   4.6650   1.8690   5.8170   2.0540 -1.151000 2.776000 
1 1 1   24   22   17 o   3.7590   1.1820   3.2030   1.5090   4.3140   1.8200 -1.111000 2.365000 
1 1 1   24   22   18 o   5.4200   1.3550   5.8180   1.9040   5.0230   1.9280 0.7947000 2.709000 
1 1 1   24   22   19 o   4.8480   1.2980   5.6600   1.8960   4.0360   1.7730 1.624000 2.595000 
1 1 1   24   22   20 o   4.0630   1.2820   3.9680   1.7470   4.1580   1.8760 -0.1895000 2.564000 
1 1 1   24   22   21 o   3.0410   1.0640   3.2320   1.5800   2.8500   1.4240 0.3823000 2.127000 
1 1 1   24   22   22 o   6.1710   1.3300   3.7220   1.7300   8.6200   2.0200 -4.898000 2.660000 
1 1 1   24   22   23 o   3.6500   1.1850   3.5630   1.6420   3.7370   1.7080 -0.1744000 2.369000 
1 1 1   24   22   24 o   2.7520   0.9609   2.7560   1.3590   2.7480   1.3590 0.7284000E-02 1.922000 
1 1 1   24   22   25 o   2.1320   0.7722   2.2720   1.1590   1.9920   1.0210 0.2803000 1.544000 
1 1 1   24   24    0 o   12.450   0.6973   11.880   0.9204   13.020   1.0480 -1.139000 1.395000 
1 1 1   24   24    1 o   10.910   0.8066   10.690   1.0290   11.130   1.2430 -0.4406000 1.613000 
1 1 1   24   24    2 o   11.600   0.7204   12.010   0.9229   11.180   1.1060 0.8281000 1.441000 
1 1 1   24   24    3 o   12.910   0.6433   12.720   0.8664   13.100   0.9513 -0.3852000 1.287000 
1 1 1   24   24    4 o   10.650   0.7891   9.5170   1.1710   11.780   1.0580 -2.261000 1.578000 
1 1 1   24   24    5 o   25.250   0.4444   25.240   0.5790   25.260   0.6744 -0.2749000E-01 0.8888000 
1 1 1   24   24    6 o   18.390   0.5537   17.770   0.7338   19.020   0.8293 -1.247000 1.107000 
1 1 1   24   24    7 f   8.4520   1.1610   9.3290   1.3340   7.5750   1.9000 1.754000 2.321000 
1 1 1   24   24    8 o   20.250   0.4577   20.130   0.6223   20.360   0.6712 -0.2263000 0.9153000 
1 1 1   24   24    9 o   6.2630   1.2670   6.7140   1.6980   5.8120   1.8820 0.9021000 2.534000 
1 1 1   24   24   10 o   4.8760   1.2850   4.5140   1.7460   5.2380   1.8870 -0.7248000 2.571000 
1 1 1   24   24   11 o   7.0000   1.3350   7.2800   1.8160   6.7210   1.9560 0.5584000 2.669000 
1 1 1   24   24   12 o   6.1370   1.2090   3.6730   1.6710   8.6010   1.7470 -4.928000 2.418000 
1 1 1   24   24   13 o   10.560   1.0110   11.600   1.2110   9.5200   1.6180 2.084000 2.021000 
1 1 1   24   24   14 o   7.8270   1.1930   7.1800   1.7210   8.4750   1.6530 -1.295000 2.386000 
1 1 1   24   24   15 o   5.6360   1.3690   6.5710   1.9930   4.7010   1.8790 1.870000 2.739000 
1 1 1   24   24   16 o   4.8100   1.2520   6.1130   1.9020   3.5080   1.6290 2.606000 2.504000 
1 1 1   24   24   17 o   3.6630   1.1780   3.7200   1.6690   3.6060   1.6640 0.1132000 2.357000 
1 1 1   24   24   18 o   3.7630   1.1980   4.1640   1.7950   3.3620   1.5860 0.8014000 2.395000 
1 1 1   24   24   19 o   4.1820   1.3890   4.4280   2.0530   3.9360   1.8720 0.4916000 2.778000 
1 1 1   24   24   20 o   3.6390   1.2100   3.5600   1.6800   3.7170   1.7420 -0.1563000 2.420000 
1 1 1   24   24   21 o   3.2070   1.0800   3.0760   1.4780   3.3390   1.5750 -0.2621000 2.159000 
1 1 1   24   24   22 o   3.9170   1.2260   3.8740   1.7170   3.9610   1.7510 -0.8683000E-01 2.453000 
1 1 1   24   24   23 o   2.0510   0.7414   2.0360   1.0400   2.0660   1.0570 -0.3033000E-01 1.483000 
1 1 1   24   26    0 o   4.2120   1.2660   4.2580   1.7740   4.1660   1.8070 0.9119000E-01 2.532000 
1 1 1   24   26    1 o   5.9620   1.4730   6.8690   1.8210   5.0540   2.3160 1.815000 2.946000 
1 1 1   24   26    2 o   16.150   0.6792   17.550   0.7243   14.750   1.1490 2.797000 1.358000 
1 1 1   24   26    3 o   14.040   0.8778   14.500   0.8408   13.590   1.5410 0.9072000 1.756000 
1 1 1   24   26    4 o   6.8170   1.4860   6.4330   1.7570   7.2020   2.3970 -0.7695000 2.972000 
1 1 1   24   26    5 o   16.160   0.9750   14.980   0.9492   17.340   1.7030 -2.361000 1.950000 
1 1 1   24   26    6 o   9.0860   1.6120   9.7650   1.4150   8.4060   2.8980 1.359000 3.225000 
1 1 1   24   26    7 o   13.130   1.2730   12.990   1.0900   13.260   2.3000 -0.2762000 2.545000 
1 1 1   24   26    8 o   14.060   1.3860   17.020   0.8795   11.090   2.6280 5.926000 2.771000 
1 1 1   24   26    9 o   11.690   1.0680   12.150   1.0160   11.220   1.8790 0.9264000 2.136000 
1 1 1   24   26   10 o   10.770   1.1480   11.420   1.0950   10.110   2.0180 1.304000 2.296000 
1 1 1   24   26   11 o   9.4580   1.3040   10.920   1.1580   7.9970   2.3360 2.922000 2.607000 
1 1 1   24   26   12 o   4.9580   1.3890   5.3400   1.8700   4.5770   2.0560 0.7629000 2.779000 
1 1 1   24   26   13 o   7.7690   1.4580   7.7070   1.7060   7.8310   2.3650 -0.1243000 2.916000 
1 1 1   24   26   14 f   4.1620   1.3280   3.9820   1.7360   4.3420   2.0090 -0.3596000 2.655000 
1 1 1   24   26   15 o   4.1370   1.2580   4.9750   1.9060   3.3000   1.6410 1.674000 2.515000 
1 1 1   24   26   16 o   3.7020   1.3110   3.1780   1.5940   4.2270   2.0830 -1.049000 2.623000 
1 1 1   24   26   17 o   3.3690   1.2140   3.5810   1.8110   3.1580   1.6160 0.4224000 2.427000 
1 1 1   24   26   18 o   3.4220   1.1480   3.3320   1.5710   3.5120   1.6750 -0.1797000 2.296000 
1 1 1   24   26   19 o   3.0400   1.0500   2.8360   1.3880   3.2450   1.5750 -0.4094000 2.099000 
1 1 1   24   26   20 o   2.8360   0.9840   3.2200   1.5250   2.4510   1.2430 0.7692000 1.968000 
1 1 1   24   26   21 o   1.1150   0.4119   1.1070   0.5781   1.1240   0.5869 -0.1680000E-01 0.8238000 
1 1 1   24   28    0 o   9.3260   0.9636   8.4800   1.4570   10.170   1.2610 -1.691000 1.927000 
1 1 1   24   28    1 o   9.0940   1.0710   8.5200   1.4430   9.6670   1.5840 -1.147000 2.143000 
1 1 1   24   28    2 o   6.1010   1.3220   5.7000   1.8390   6.5020   1.9000 -0.8014000 2.644000 
1 1 1   24   28    3 f   4.6610   1.3130   4.5170   1.8040   4.8050   1.9070 -0.2881000 2.626000 
1 1 1   24   28    4 o   4.8770   1.2900   5.6770   1.8720   4.0770   1.7770 1.600000 2.581000 
1 1 1   24   28    5 o   3.8840   1.2080   4.1550   1.7590   3.6130   1.6560 0.5425000 2.416000 
1 1 1   24   28    6 o   8.1460   1.1650   8.0750   1.6110   8.2170   1.6840 -0.1416000 2.330000 
1 1 1   24   28    7 o   4.3920   1.2010   3.0130   1.4450   5.7710   1.9190 -2.757000 2.402000 
1 1 1   24   28    8 o   10.120   0.9656   10.940   1.2460   9.3030   1.4760 1.637000 1.931000 
1 1 1   24   28    9 o   15.850   0.6320   16.630   0.8521   15.070   0.9337 1.555000 1.264000 
1 1 1   24   28   10 o   4.1590   1.2550   3.8720   1.7080   4.4460   1.8400 -0.5743000 2.511000 
1 1 1   24   28   11 o   3.5550   1.1540   3.6820   1.6610   3.4280   1.6020 0.2539000 2.307000 
1 1 1   24   28   12 o   8.0350   1.3960   7.8620   1.9540   8.2070   1.9940 -0.3454000 2.792000 
1 1 1   24   28   13 o   4.4310   1.4070   4.4900   1.9530   4.3720   2.0260 0.1180000 2.814000 
1 1 1   24   28   14 o   3.1450   1.1130   3.2580   1.6230   3.0310   1.5240 0.2264000 2.226000 
1 1 1   24   28   15 o   3.5340   1.1690   4.2660   1.8870   2.8020   1.3790 1.464000 2.338000 
1 1 1   24   28   16 o   2.7120   0.9437   3.1830   1.5060   2.2410   1.1380 0.9427000 1.887000 
1 1 1   24   28   17 o   2.5770   0.9083   2.3230   1.1710   2.8310   1.3890 -0.5081000 1.817000 
1 1 1   24   28   18 o   1.9980   0.7349   1.9900   1.0350   2.0070   1.0440 -0.1653000E-01 1.470000 
1 1 1   24   30    0 o   10.240   0.9575   8.7730   1.5060   11.710   1.1840 -2.936000 1.915000 
1 1 1   24   30    1 o   6.1670   1.2940   7.4760   1.7380   4.8580   1.9160 2.617000 2.587000 
1 1 1   24   30    2 o   4.3610   1.2730   3.8210   1.6850   4.9010   1.9090 -1.080000 2.546000 
1 1 1   24   30    3 o   5.7960   1.3470   6.3430   1.8700   5.2480   1.9390 1.095000 2.694000 
1 1 1   24   30    4 o   6.2260   1.3390   7.0040   1.8060   5.4470   1.9760 1.556000 2.677000 
1 1 1   24   30    5 o   5.1720   1.3400   4.3000   1.7950   6.0450   1.9910 -1.745000 2.681000 
1 1 1   24   30    6 o   6.7420   1.4420   7.5130   1.9500   5.9720   2.1260 1.542000 2.885000 
1 1 1   24   30    7 o   3.1480   1.0860   2.7600   1.3740   3.5370   1.6830 -0.7770000 2.172000 
1 1 1   24   30    8 o   4.5430   1.2700   6.1530   2.0800   2.9330   1.4560 3.220000 2.539000 
1 1 1   24   30    9 o   4.1270   1.3000   4.1100   1.8220   4.1440   1.8560 -0.3388000E-01 2.601000 
1 1 1   24   30   10 o   3.4610   1.1660   3.6290   1.7010   3.2930   1.5950 0.3361000 2.332000 
1 1 1   24   30   11 o   3.0990   1.0710   3.1250   1.5220   3.0730   1.5080 0.5271000E-01 2.142000 
1 1 1   24   30   12 o   2.8020   0.9758   2.9010   1.4230   2.7020   1.3350 0.1986000 1.952000 
1 1 1   24   30   13 o   2.3010   0.8205   2.4640   1.2280   2.1380   1.0880 0.3260000 1.641000 
1 1 1   24   30   14 f   2.4690   0.8835   2.6070   1.3090   2.3300   1.1870 0.2777000 1.767000 
1 1 1   24   32    0 o   3.3870   1.1100   3.0920   1.4710   3.6820   1.6630 -0.5895000 2.221000 
1 1 1   24   32    1 o   6.3450   1.2610   4.8490   1.8510   7.8410   1.7140 -2.993000 2.522000 
1 1 1   24   32    2 o   6.9260   1.2940   6.5360   1.8440   7.3150   1.8170 -0.7790000 2.589000 
1 1 1   24   32    3 o   6.6270   1.3600   7.5150   1.7440   5.7400   2.0880 1.775000 2.720000 
1 1 1   24   32    4 o   2.7790   0.9770   2.8730   1.4190   2.6850   1.3430 0.1877000 1.954000 
1 1 1   24   32    5 o   3.0830   1.0620   3.4410   1.6290   2.7250   1.3640 0.7159000 2.124000 
1 1 1   24   32    6 f   3.0950   1.0670   3.3320   1.5930   2.8580   1.4200 0.4738000 2.133000 
1 1 1   24   32    7 o   2.3520   0.8402   2.1710   1.1100   2.5330   1.2620 -0.3620000 1.680000 
1 1 1   24   32    8 o   3.0130   1.0220   3.1410   1.4880   2.8850   1.4010 0.2563000 2.043000 
1 1 1   24   32    9 o   2.0260   0.7391   1.9580   1.0080   2.0940   1.0810 -0.1361000 1.478000 
1 1 1   25    1    0 o   43.080   0.2858   42.750   0.4016   43.400   0.4067 -0.6556000 0.5716000 
1 1 1   25    1    1 o   17.840   0.2475   18.370   0.3558   17.320   0.3441 1.043000 0.4950000 
1 1 1   25    1    2 o   47.770   0.3146   47.740   0.4443   47.800   0.4454 -0.6330000E-01 0.6291000 
1 1 1   25    1    3 o   18.270   0.2323   18.600   0.3313   17.940   0.3257 0.6564000 0.4646000 
1 1 1   25    1    4 o   10.700   0.3808   11.230   0.5648   10.170   0.5109 1.063000 0.7616000 
1 1 1   25    1    5 o   41.470   0.2881   41.570   0.4076   41.360   0.4073 0.2099000 0.5762000 
1 1 1   25    1    6 o   81.870   0.7403   81.980   1.0480   81.760   1.0460 0.2239000 1.481000 
1 1 1   25    1    7 o   7.4780   0.7419   7.3800   1.0000   7.5760   1.0960 -0.1966000 1.484000 
1 1 1   25    1    8 o   54.780   0.3650   54.760   0.5158   54.810   0.5168 -0.5393000E-01 0.7301000 
1 1 1   25    1    9 o   90.520   0.5774   90.530   0.8165   90.510   0.8165 0.1897000E-01 1.155000 
1 1 1   25    1   10 o   52.060   0.3565   52.080   0.5051   52.030   0.5034 0.5499000E-01 0.7131000 
1 1 1   25    1   11 o   22.580   0.3234   21.970   0.4619   23.200   0.4529 -1.231000 0.6469000 
1 1 1   25    1   12 o   3.0090   0.9718   2.9360   1.3510   3.0810   1.3970 -0.1450000 1.944000 
1 1 1   25    1   13 o   41.830   0.3312   42.140   0.4694   41.520   0.4675 0.6169000 0.6624000 
1 1 1   25    1   14 o   24.510   0.3581   24.640   0.5075   24.380   0.5053 0.2665000 0.7161000 
1 1 1   25    1   15 o   18.780   0.5784   18.580   0.8190   18.980   0.8170 -0.4013000 1.157000 
1 1 1   25    1   16 o   25.630   0.4143   26.400   0.5946   24.860   0.5770 1.544000 0.8285000 
1 1 1   25    1   17 o   12.860   0.6001   12.300   0.8684   13.420   0.8285 -1.118000 1.200000 
1 1 1   25    1   18 o   4.9760   1.1990   4.4030   1.6820   5.5490   1.7090 -1.146000 2.397000 
1 1 1   25    1   19 o   3.3850   1.0600   3.2630   1.4670   3.5080   1.5310 -0.2452000 2.120000 
1 1 1   25    1   20 o   4.8900   1.4000   5.1660   2.0130   4.6140   1.9460 0.5521000 2.800000 
1 1 1   25    1   21 o   8.7390   0.8507   9.5440   1.0710   7.9340   1.3220 1.610000 1.701000 
1 1 1   25    1   22 o   6.9900   1.0530   7.4280   1.4020   6.5520   1.5720 0.8752000 2.106000 
1 1 1   25    1   23 o   12.130   0.6143   12.550   0.8276   11.710   0.9080 0.8418000 1.229000 
1 1 1   25    1   24 o   5.1060   1.2190   5.1930   1.7230   5.0190   1.7230 0.1741000 2.437000 
1 1 1   25    1   25 o   3.5510   1.0750   2.8820   1.3610   4.2200   1.6640 -1.338000 2.150000 
1 1 1   25    1   26 f   3.1220   1.0170   3.6610   1.5940   2.5840   1.2640 1.077000 2.034000 
1 1 1   25    1   27 o   5.0200   1.2340   4.1120   1.7120   5.9280   1.7780 -1.816000 2.468000 
1 1 1   25    1   28 o   3.8640   1.2650   3.6520   1.7220   4.0750   1.8540 -0.4229000 2.531000 
1 1 1   25    1   29 o   3.2950   1.0890   3.7820   1.6890   2.8080   1.3740 0.9741000 2.177000 
1 1 1   25    1   30 o   4.3470   1.2680   4.8900   1.8860   3.8050   1.6950 1.085000 2.536000 
1 1 1   25    1   31 o   3.2490   1.0810   3.8160   1.7040   2.6810   1.3300 1.135000 2.162000 
1 1 1   25    1   32 o   3.0910   1.0870   2.7980   1.4130   3.3830   1.6510 -0.5844000 2.173000 
1 1 1   25    1   33 o   2.2250   0.7984   2.3080   1.1650   2.1420   1.0920 0.1669000 1.597000 
1 1 1   25    3    0 o   39.070   0.2828   38.960   0.4233   39.180   0.3750 -0.2259000 0.5655000 
1 1 1   25    3    1 f   57.280   0.4281   57.250   0.6049   57.320   0.6059 -0.6967000E-01 0.8562000 
1 1 1   25    3    2 o   20.630   0.2591   20.130   0.3760   21.140   0.3567 -1.010000 0.5183000 
1 1 1   25    3    3 o   6.6550   0.5206   6.6230   0.7813   6.6860   0.6884 -0.6336000E-01 1.041000 
1 1 1   25    3    4 o   30.430   0.3072   29.670   0.3829   31.200   0.4804 -1.525000 0.6144000 
1 1 1   25    3    5 o   68.820   0.5110   69.280   0.7275   68.350   0.7176 0.9328000 1.022000 
1 1 1   25    3    6 o   44.220   0.3061   44.550   0.4346   43.890   0.4312 0.6614000 0.6122000 
1 1 1   25    3    7 o   29.510   0.3073   29.360   0.4245   29.650   0.4446 -0.2951000 0.6147000 
1 1 1   25    3    8 o   48.200   0.3586   48.480   0.4702   47.910   0.5414 0.5643000 0.7171000 
1 1 1   25    3    9 o   49.430   0.3422   50.020   0.4875   48.840   0.4804 1.175000 0.6844000 
1 1 1   25    3   10 o   24.610   0.2954   24.660   0.4174   24.570   0.4180 0.9169000E-01 0.5907000 
1 1 1   25    3   11 o   16.240   0.4040   16.330   0.5624   16.150   0.5801 0.1808000 0.8079000 
1 1 1   25    3   12 o   19.750   0.3701   19.410   0.5228   20.100   0.5242 -0.6908000 0.7403000 
1 1 1   25    3   13 o   48.980   0.3570   48.860   0.5028   49.100   0.5069 -0.2330000 0.7140000 
1 1 1   25    3   14 o   16.790   0.5240   16.810   0.7083   16.770   0.7725 0.3886000E-01 1.048000 
1 1 1   25    3   15 o   15.790   0.6675   16.040   0.9051   15.530   0.9814 0.5160000 1.335000 
1 1 1   25    3   16 o   27.220   0.4091   27.530   0.5844   26.920   0.5725 0.6157000 0.8181000 
1 1 1   25    3   17 o   12.690   0.6082   13.090   0.8289   12.290   0.8904 0.8009000 1.216000 
1 1 1   25    3   18 f   27.550   0.3463   27.590   0.4838   27.510   0.4957 0.7981000E-01 0.6926000 
1 1 1   25    3   19 o   14.640   0.6231   15.470   0.8651   13.800   0.8969 1.668000 1.246000 
1 1 1   25    3   20 o   8.6850   1.3350   8.3990   1.8900   8.9710   1.8860 -0.5727000 2.670000 
1 1 1   25    3   21 f   9.6660   0.7890   8.8310   1.1830   10.500   1.0450 -1.670000 1.578000 
1 1 1   25    3   22 o   7.8210   0.9831   6.2840   1.6040   9.3580   1.1370 -3.074000 1.966000 
1 1 1   25    3   23 o   8.1340   0.9407   8.3500   1.2540   7.9170   1.4030 0.4324000 1.881000 
1 1 1   25    3   24 o   7.4290   1.0310   7.0460   1.5160   7.8130   1.3980 -0.7666000 2.062000 
1 1 1   25    3   25 f   3.5610   1.0990   3.4980   1.5280   3.6240   1.5800 -0.1261000 2.198000 
1 1 1   25    3   26 o   5.2870   1.2470   5.3400   1.7590   5.2330   1.7670 0.1075000 2.493000 
1 1 1   25    3   27 o   5.2980   1.2950   5.9840   1.8630   4.6120   1.7980 1.372000 2.589000 
1 1 1   25    3   28 o   3.7660   1.2430   3.3630   1.6210   4.1680   1.8860 -0.8056000 2.487000 
1 1 1   25    3   29 o   5.3700   1.3550   5.0510   1.8880   5.6880   1.9450 -0.6363000 2.710000 
1 1 1   25    3   30 o   5.1150   1.3360   5.8960   1.9370   4.3340   1.8400 1.562000 2.672000 
1 1 1   25    3   31 o   3.7090   1.1930   3.4620   1.6060   3.9560   1.7640 -0.4940000 2.385000 
1 1 1   25    3   32 o   2.8390   1.0130   2.6890   1.3630   2.9890   1.4980 -0.2992000 2.025000 
1 1 1   25    3   33 o   2.8140   0.9772   3.0970   1.4890   2.5320   1.2660 0.5658000 1.954000 
1 1 1   25    5    0 o   48.300   0.3182   48.920   0.4541   47.690   0.4458 1.229000 0.6364000 
1 1 1   25    5    1 o   67.780   0.6154   68.110   0.8757   67.450   0.8650 0.6669000 1.231000 
1 1 1   25    5    2 o   74.400   0.6140   74.210   0.9517   74.580   0.7760 -0.3686000 1.228000 
1 1 1   25    5    3 o   21.240   0.2530   21.530   0.3587   20.950   0.3570 0.5838000 0.5061000 
1 1 1   25    5    4 o   25.070   0.2386   25.130   0.3337   25.020   0.3412 0.1077000 0.4773000 
1 1 1   25    5    5 o   85.680   0.5464   86.440   0.7793   84.920   0.7660 1.524000 1.093000 
1 1 1   25    5    6 o   35.180   0.3599   34.060   0.4450   36.300   0.5657 -2.237000 0.7198000 
1 1 1   25    5    7 o   67.370   0.5075   67.210   0.7141   67.520   0.7211 -0.3098000 1.015000 
1 1 1   25    5    8 f   14.430   0.4126   14.930   0.5211   13.940   0.6397 0.9916000 0.8251000 
1 1 1   25    5    9 o   50.270   0.3494   50.270   0.4932   50.260   0.4949 0.8259000E-02 0.6987000 
1 1 1   25    5   10 o   57.420   0.3890   57.510   0.5507   57.330   0.5496 0.1771000 0.7780000 
1 1 1   25    5   11 o   55.470   0.4107   55.930   0.6199   55.000   0.5390 0.9338000 0.8215000 
1 1 1   25    5   12 o   36.760   0.3206   37.160   0.4518   36.370   0.4551 0.7947000 0.6412000 
1 1 1   25    5   13 o   11.680   0.7220   10.520   1.0630   12.840   0.9773 -2.316000 1.444000 
1 1 1   25    5   14 o   18.020   0.4919   16.930   0.6915   19.100   0.6997 -2.169000 0.9837000 
1 1 1   25    5   15 o   24.490   0.4455   24.970   0.6304   24.010   0.6297 0.9591000 0.8911000 
1 1 1   25    5   16 o   12.980   0.6957   13.160   1.0330   12.810   0.9317 0.3436000 1.391000 
1 1 1   25    5   17 o   20.840   0.4114   21.160   0.5640   20.520   0.5991 0.6466000 0.8228000 
1 1 1   25    5   18 o   19.570   0.4296   20.190   0.5801   18.940   0.6337 1.251000 0.8591000 
1 1 1   25    5   19 o   5.2510   1.3050   4.9060   1.8790   5.5960   1.8100 -0.6905000 2.609000 
1 1 1   25    5   20 o   11.380   1.0410   12.810   0.9202   9.9580   1.8670 2.848000 2.082000 
1 1 1   25    5   21 o   12.520   0.6080   13.490   0.7731   11.550   0.9386 1.938000 1.216000 
1 1 1   25    5   22 o   8.6500   0.8385   8.8680   1.1180   8.4330   1.2500 0.4353000 1.677000 
1 1 1   25    5   23 f   3.0020   0.9892   2.2530   1.1220   3.7510   1.6300 -1.498000 1.978000 
1 1 1   25    5   24 o   8.2590   0.9226   7.6360   1.3780   8.8820   1.2280 -1.246000 1.845000 
1 1 1   25    5   25 o   6.5770   1.1110   5.1650   1.7300   7.9890   1.3930 -2.824000 2.222000 
1 1 1   25    5   26 o   8.2810   1.0450   9.4960   1.2310   7.0660   1.6880 2.431000 2.089000 
1 1 1   25    5   27 o   5.6420   1.3640   5.2280   1.8800   6.0560   1.9780 -0.8279000 2.729000 
1 1 1   25    5   28 o   7.5390   1.3460   8.8000   1.7550   6.2780   2.0400 2.522000 2.691000 
1 1 1   25    5   29 o   3.8190   1.2000   3.3540   1.5700   4.2830   1.8170 -0.9290000 2.401000 
1 1 1   25    5   30 o   4.2250   1.2660   3.5450   1.6340   4.9040   1.9340 -1.359000 2.532000 
1 1 1   25    5   31 o   4.2590   1.3390   4.4530   1.9420   4.0650   1.8450 0.3878000 2.678000 
1 1 1   25    5   32 o   3.7350   1.2160   3.0470   1.4990   4.4240   1.9160 -1.377000 2.433000 
1 1 1   25    5   33 o   2.4570   0.8720   2.3180   1.1730   2.5950   1.2910 -0.2767000 1.744000 
1 1 1   25    7    0 o   84.450   0.6218   83.860   0.8728   85.040   0.8859 -1.180000 1.244000 
1 1 1   25    7    1 o   42.440   0.2935   42.390   0.4132   42.480   0.4171 -0.8644000E-01 0.5871000 
1 1 1   25    7    2 o   51.050   0.3405   50.980   0.4794   51.130   0.4837 -0.1480000 0.6811000 
1 1 1   25    7    3 o   31.560   0.2565   31.920   0.3621   31.200   0.3633 0.7241000 0.5130000 
1 1 1   25    7    4 o   44.460   0.3651   44.430   0.5169   44.490   0.5156 -0.6300000E-01 0.7301000 
1 1 1   25    7    5 o   27.480   0.2627   27.610   0.3709   27.350   0.3722 0.2567000 0.5255000 
1 1 1   25    7    6 o   46.340   0.3802   45.960   0.5314   46.730   0.5440 -0.7660000 0.7605000 
1 1 1   25    7    7 o   68.850   0.4493   68.880   0.6352   68.830   0.6357 0.5754000E-01 0.8986000 
1 1 1   25    7    8 o   69.130   0.4531   69.140   0.6402   69.130   0.6413 0.1089000E-01 0.9062000 
1 1 1   25    7    9 o   41.620   0.3194   41.840   0.4539   41.400   0.4495 0.4447000 0.6388000 
1 1 1   25    7   10 o   35.820   0.3274   36.350   0.4826   35.300   0.4427 1.049000 0.6549000 
1 1 1   25    7   11 o   61.940   0.4199   61.140   0.5862   62.740   0.6015 -1.599000 0.8399000 
1 1 1   25    7   12 o   18.720   0.4590   18.640   0.6231   18.810   0.6743 -0.1720000 0.9181000 
1 1 1   25    7   13 o   19.140   0.4659   19.170   0.6261   19.120   0.6901 0.4938000E-01 0.9318000 
1 1 1   25    7   14 o   29.560   0.3514   29.800   0.4880   29.320   0.5058 0.4880000 0.7029000 
1 1 1   25    7   15 o   16.680   0.6011   16.930   0.8555   16.420   0.8447 0.5187000 1.202000 
1 1 1   25    7   16 o   21.130   0.4095   21.360   0.5568   20.900   0.6006 0.4529000 0.8190000 
1 1 1   25    7   17 o   14.100   0.5665   13.540   0.7961   14.660   0.8062 -1.115000 1.133000 
1 1 1   25    7   18 o   8.0220   1.1780   8.7140   1.6390   7.3300   1.6920 1.384000 2.356000 
1 1 1   25    7   19 o   5.3360   1.2330   5.3360   1.7140   5.3360   1.7730 -0.1526000E-04 2.466000 
1 1 1   25    7   20 o   12.230   0.7276   12.120   0.9379   12.340   1.1130 -0.2168000 1.455000 
1 1 1   25    7   21 o   12.870   0.5930   13.310   0.7717   12.430   0.9007 0.8861000 1.186000 
1 1 1   25    7   22 o   16.780   0.4718   17.000   0.6323   16.560   0.7004 0.4365000 0.9436000 
1 1 1   25    7   23 o   2.5550   0.8824   2.6250   1.2700   2.4840   1.2260 0.1405000 1.765000 
1 1 1   25    7   24 o   3.8890   1.1310   4.5010   1.6880   3.2760   1.5060 1.226000 2.262000 
1 1 1   25    7   25 o   14.040   0.5932   14.330   0.7998   13.740   0.8762 0.5905000 1.186000 
1 1 1   25    7   26 o   5.9890   1.3360   5.5870   1.8740   6.3900   1.9040 -0.8034000 2.672000 
1 1 1   25    7   27 f   3.5270   1.1490   4.0560   1.7690   2.9980   1.4670 1.058000 2.298000 
1 1 1   25    7   28 o   3.1870   1.0900   3.1940   1.5400   3.1810   1.5430 0.1352000E-01 2.180000 
1 1 1   25    7   29 o   6.4900   1.3190   4.8580   1.8960   8.1220   1.8350 -3.263000 2.638000 
1 1 1   25    7   30 o   10.590   0.9720   11.150   1.2710   10.020   1.4710 1.127000 1.944000 
1 1 1   25    7   31 o   3.3160   1.1330   3.5620   1.6870   3.0700   1.5130 0.4916000 2.266000 
1 1 1   25    7   32 o   3.0270   1.0520   3.2630   1.5810   2.7920   1.3880 0.4712000 2.104000 
1 1 1   25    9    0 o   42.050   0.3969   43.030   0.6255   41.080   0.4888 1.945000 0.7938000 
1 1 1   25    9    1 o   15.330   0.4676   15.330   0.8081   15.320   0.4709 0.9175000E-02 0.9352000 
1 1 1   25    9    2 o   37.660   0.3632   37.240   0.5998   38.070   0.4098 -0.8307000 0.7264000 
1 1 1   25    9    3 o   22.470   0.3920   22.060   0.6482   22.880   0.4411 -0.8119000 0.7840000 
1 1 1   25    9    4 o   38.380   0.4017   38.240   0.6337   38.520   0.4938 -0.2780000 0.8033000 
1 1 1   25    9    5 o   16.440   0.5666   16.820   0.9248   16.050   0.6549 0.7705000 1.133000 
1 1 1   25    9    6 o   61.180   0.5077   61.060   0.8333   61.290   0.5800 -0.2358000 1.015000 
1 1 1   25    9    7 o   40.560   0.4106   40.710   0.6865   40.420   0.4506 0.2954000 0.8211000 
1 1 1   25    9    8 o   31.350   0.4447  ?   ?    31.350   0.4447      ?      ? 
1 1 1   25    9    9 o   42.090   0.4227   42.290   0.7012   41.880   0.4722 0.4148000 0.8454000 
1 1 1   25    9   10 o   34.600   0.3664   34.160   0.5111   35.050   0.5251 -0.8913000 0.7328000 
1 1 1   25    9   11 o   21.420   0.4252   20.880   0.5864   21.960   0.6158 -1.072000 0.8503000 
1 1 1   25    9   12 o   28.830   0.3520   28.520   0.4915   29.130   0.5040 -0.6085000 0.7040000 
1 1 1   25    9   13 o   29.800   0.3483   29.640   0.4805   29.960   0.5044 -0.3168000 0.6966000 
1 1 1   25    9   14 o   17.940   0.5768   18.260   0.8099   17.620   0.8215 0.6413000 1.154000 
1 1 1   25    9   15 o   12.600   0.7919   12.420   1.1650   12.780   1.0730 -0.3540000 1.584000 
1 1 1   25    9   16 o   14.260   0.5584   14.230   0.7615   14.290   0.8168 -0.5811000E-01 1.117000 
1 1 1   25    9   17 o   3.6340   1.1450   3.8180   1.6670   3.4500   1.5680 0.3683000 2.289000 
1 1 1   25    9   18 o   12.640   0.6059   11.840   0.8988   13.440   0.8126 -1.600000 1.212000 
1 1 1   25    9   19 o   4.6400   1.2760   5.0720   1.7810   4.2070   1.8280 0.8656000 2.552000 
1 1 1   25    9   20 o   5.4640   1.3200   5.6200   1.7890   5.3090   1.9410 0.3106000 2.640000 
1 1 1   25    9   21 o   18.500   0.4310   18.500   0.5876   18.500   0.6307 -0.7551000E-02 0.8620000 
1 1 1   25    9   22 o   11.350   0.6751   11.950   0.8481   10.750   1.0510 1.203000 1.350000 
1 1 1   25    9   23 o   9.9180   0.7820   9.2260   1.1200   10.610   1.0910 -1.384000 1.564000 
1 1 1   25    9   24 o   5.0680   1.2330   4.5580   1.7000   5.5770   1.7860 -1.019000 2.466000 
1 1 1   25    9   25 o   7.2680   1.1370   8.8780   1.3410   5.6580   1.8360 3.220000 2.274000 
1 1 1   25    9   26 o   6.7620   1.3210   6.3270   1.8040   7.1980   1.9290 -0.8712000 2.642000 
1 1 1   25    9   27 o   3.5960   1.1830   3.4040   1.6170   3.7880   1.7280 -0.3841000 2.367000 
1 1 1   25    9   28 o   4.8950   1.3090   3.8800   1.7310   5.9100   1.9640 -2.030000 2.618000 
1 1 1   25    9   29 o   6.5990   1.3450   5.4870   1.9570   7.7110   1.8460 -2.224000 2.690000 
1 1 1   25    9   30 o   4.0340   1.2790   4.9470   2.0520   3.1210   1.5270 1.826000 2.558000 
1 1 1   25    9   31 o   2.6880   0.9550   2.8430   1.4150   2.5320   1.2830 0.3107000 1.910000 
1 1 1   25    9   32 o   2.4630   0.8751   1.9950   1.0240   2.9300   1.4200 -0.9344000 1.750000 
1 1 1   25   11    0 o   31.470   0.2827   31.310   0.3984   31.630   0.4012 -0.3200000 0.5654000 
1 1 1   25   11    1 o   38.000   0.3258   37.070   0.4162   38.920   0.5012 -1.849000 0.6515000 
1 1 1   25   11    2 o   17.340   0.4314   18.080   0.5737   16.610   0.6444 1.475000 0.8628000 
1 1 1   25   11    3 o   43.130   0.4538   42.390   0.6278   43.860   0.6554 -1.474000 0.9076000 
1 1 1   25   11    4 o   43.620   0.3284   43.670   0.4594   43.570   0.4693 0.1068000 0.6568000 
1 1 1   25   11    5 o   22.170   0.3628   22.600   0.4559   21.740   0.5645 0.8659000 0.7256000 
1 1 1   25   11    6 o   18.560   0.3965   18.360   0.5500   18.760   0.5714 -0.4060000 0.7931000 
1 1 1   25   11    7 o   25.050   0.4305   25.750   0.6096   24.350   0.6081 1.400000 0.8610000 
1 1 1   25   11    8 o   28.290   0.3728   28.220   0.5191   28.360   0.5353 -0.1457000 0.7457000 
1 1 1   25   11    9 o   36.170   0.3761   34.930   0.5231   37.420   0.5406 -2.488000 0.7522000 
1 1 1   25   11   10 o   41.280   0.4465   41.030   0.7441   41.530   0.4936 -0.5060000 0.8930000 
1 1 1   25   11   11 o   17.340   0.6645   17.230   1.1350   17.450   0.6920 -0.2210000 1.329000 
1 1 1   25   11   12 o   14.780   0.7610   15.840   1.2320   13.720   0.8941 2.111000 1.522000 
1 1 1   25   11   13 o   5.5660   1.4750   5.5210   2.1940   5.6110   1.9720 -0.8939000E-01 2.950000 
1 1 1   25   11   14 o   28.730   0.4970   29.070   0.7831   28.400   0.6121 0.6712000 0.9939000 
1 1 1   25   11   15 o   19.080   0.9905   19.010   1.8500   19.150   0.7075 -0.1413000 1.981000 
1 1 1   25   11   16 o   6.2530   1.5580   5.5630   2.5610   6.9430   1.7760 -1.379000 3.117000 
1 1 1   25   11   17 o   8.4870   1.2270   7.6280   2.1460   9.3450   1.1920 -1.716000 2.455000 
1 1 1   25   11   18 o   5.9890   1.3430   5.3170   2.0640   6.6600   1.7170 -1.343000 2.685000 
1 1 1   25   11   19 o   14.990   0.7188   14.030   1.1240   15.960   0.8966 -1.933000 1.438000 
1 1 1   25   11   20 f   6.0990   1.1890   8.6490   1.7930   3.5490   1.5610 5.100000 2.377000 
1 1 1   25   11   21 o   4.4390   1.2400   6.0380   2.0770   2.8400   1.3560 3.198000 2.481000 
1 1 1   25   11   22 o   7.3540   1.2720   9.0260   1.8350   5.6830   1.7630 3.343000 2.545000 
1 1 1   25   11   23 o   20.110   0.5504   20.340   0.8891   19.880   0.6492 0.4519000 1.101000 
1 1 1   25   11   24 o   3.2530   1.1130   3.9040   1.8190   2.6020   1.2840 1.302000 2.227000 
1 1 1   25   11   25 o   4.2000   1.3270   4.0430   1.9100   4.3560   1.8420 -0.3133000 2.654000 
1 1 1   25   11   26 f   8.7040   1.3310   8.9380   2.0680   8.4690   1.6770 0.4683000 2.663000 
1 1 1   25   11   27 o   3.9790   1.3020   4.2320   1.9350   3.7260   1.7430 0.5061000 2.604000 
1 1 1   25   11   28 o   4.4260   1.3800   4.6910   2.0710   4.1600   1.8240 0.5308000 2.760000 
1 1 1   25   11   29 o   4.0710   1.3930   4.5140   2.1890   3.6280   1.7240 0.8864000 2.786000 
1 1 1   25   11   30 o   3.9400   1.3380   4.0360   2.0000   3.8450   1.7780 0.1906000 2.676000 
1 1 1   25   11   31 o   2.2450   0.8143   2.2030   1.1360   2.2870   1.1670 -0.8316000E-01 1.629000 
1 1 1   25   13    0 o  110.200   0.8114  110.500   1.1500  109.900   1.1450 0.5364000 1.623000 
1 1 1   25   13    1 o   22.650   0.4034   21.800   0.5619   23.490   0.5790 -1.694000 0.8068000 
1 1 1   25   13    2 o   25.460   0.3404   26.430   0.4588   24.500   0.5030 1.931000 0.6808000 
1 1 1   25   13    3 f   56.100   0.4236   56.900   0.5534   55.300   0.6414 1.598000 0.8471000 
1 1 1   25   13    4 o   49.230   0.4137   48.900   0.5782   49.560   0.5919 -0.6647000 0.8275000 
1 1 1   25   13    5 o   70.310   0.5380   69.990   0.7534   70.640   0.7682 -0.6539000 1.076000 
1 1 1   25   13    6 o   38.120   0.4329   38.060   0.6745   38.170   0.5429 -0.1082000 0.8658000 
1 1 1   25   13    7 o   45.390   0.3616   45.270   0.5104   45.520   0.5122 -0.2522000 0.7231000 
1 1 1   25   13    8 o   37.020   0.3467   36.920   0.4839   37.120   0.4966 -0.1967000 0.6933000 
1 1 1   25   13    9 o   14.420   0.5860   14.410   0.8081   14.430   0.8488 -0.1941000E-01 1.172000 
1 1 1   25   13   10 o   16.160   0.5322   15.630   0.7432   16.690   0.7620 -1.058000 1.064000 
1 1 1   25   13   11 f   20.240   0.4496   20.430   0.6098   20.050   0.6608 0.3749000 0.8992000 
1 1 1   25   13   12 o   27.160   0.4509   27.310   0.6430   27.020   0.6322 0.2935000 0.9017000 
1 1 1   25   13   13 o   18.990   0.7334   17.170   1.1760   20.820   0.8770 -3.650000 1.467000 
1 1 1   25   13   14 o   22.020   0.4589   21.960   0.6497   22.080   0.6483 -0.1233000 0.9178000 
1 1 1   25   13   15 o   21.600   0.4045   21.740   0.5637   21.450   0.5803 0.2941000 0.8090000 
1 1 1   25   13   16 o   14.640   0.5406   15.040   0.7117   14.230   0.8140 0.8126000 1.081000 
1 1 1   25   13   17 o   10.660   0.7542   9.2750   1.1620   12.040   0.9619 -2.764000 1.508000 
1 1 1   25   13   18 o   4.5240   1.2900   4.7590   1.8070   4.2890   1.8410 0.4698000 2.580000 
1 1 1   25   13   19 o   13.610   0.5761   13.430   0.7844   13.800   0.8440 -0.3733000 1.152000 
1 1 1   25   13   20 o   3.3720   1.0680   3.2670   1.4830   3.4780   1.5370 -0.2114000 2.136000 
1 1 1   25   13   21 o   9.9430   0.7807   9.9210   1.0910   9.9650   1.1170 -0.4351000E-01 1.561000 
1 1 1   25   13   22 o   7.6280   1.0740   7.6090   1.4660   7.6470   1.5710 -0.3804000E-01 2.148000 
1 1 1   25   13   23 o   6.7310   1.0550   9.5160   1.2750   3.9450   1.6810 5.570000 2.109000 
1 1 1   25   13   24 o   4.2210   1.2700   4.4500   1.8250   3.9910   1.7670 0.4589000 2.540000 
1 1 1   25   13   25 o   4.6780   1.2600   5.7580   1.9080   3.5980   1.6470 2.160000 2.521000 
1 1 1   25   13   26 o   3.4840   1.1700   3.5460   1.6760   3.4230   1.6340 0.1236000 2.341000 
1 1 1   25   13   27 o   4.2630   1.2760   4.8550   1.9140   3.6700   1.6870 1.185000 2.551000 
1 1 1   25   13   28 o   5.6170   1.5180   5.6350   2.1500   5.5990   2.1430 0.3648000E-01 3.036000 
1 1 1   25   13   29 o   3.5630   1.1930   4.2090   1.8930   2.9180   1.4520 1.291000 2.386000 
1 1 1   25   13   30 o   2.7920   0.9840   2.6440   1.3270   2.9390   1.4530 -0.2945000 1.968000 
1 1 1   25   13   31 o   2.0180   0.7428   1.9620   1.0210   2.0740   1.0790 -0.1117000 1.486000 
1 1 1   25   15    0 o   45.940   0.4022   45.930   0.5665   45.960   0.5709 -0.3288000E-01 0.8043000 
1 1 1   25   15    1 o   31.320   0.3867   31.450   0.5348   31.190   0.5586 0.2627000 0.7734000 
1 1 1   25   15    2 o   97.110   0.6261   96.480   0.8783   97.740   0.8926 -1.255000 1.252000 
1 1 1   25   15    3 o   76.570   0.5053   76.070   0.7082   77.070   0.7208 -1.003000 1.011000 
1 1 1   25   15    4 o   29.640   0.3558   29.340   0.4923   29.940   0.5138 -0.6007000 0.7116000 
1 1 1   25   15    5 f   16.060   0.5421   16.700   0.7025   15.410   0.8259 1.281000 1.084000 
1 1 1   25   15    6 o   10.980   0.7782   11.190   1.0280   10.780   1.1680 0.4050000 1.556000 
1 1 1   25   15    7 o   12.120   0.7052   12.240   0.9205   11.990   1.0690 0.2522000 1.410000 
1 1 1   25   15    8 o   28.010   0.3726   28.530   0.5162   27.490   0.5373 1.036000 0.7451000 
1 1 1   25   15    9 f   19.530   0.4653   19.140   0.6471   19.920   0.6687 -0.7843000 0.9305000 
1 1 1   25   15   10 o   19.090   0.5950   18.650   0.8632   19.530   0.8191 -0.8794000 1.190000 
1 1 1   25   15   11 o   13.480   0.9855   12.710   1.5800   14.250   1.1780 -1.541000 1.971000 
1 1 1   25   15   12 o   5.7060   1.2970   4.8580   1.8320   6.5550   1.8380 -1.697000 2.595000 
1 1 1   25   15   13 o   6.4500   1.1970   6.3120   1.6600   6.5880   1.7240 -0.2761000 2.394000 
1 1 1   25   15   14 o   23.810   0.3840   23.810   0.5338   23.820   0.5522 -0.1453000E-01 0.7680000 
1 1 1   25   15   15 o   4.8840   1.2360   4.5840   1.7040   5.1840   1.7910 -0.6002000 2.472000 
1 1 1   25   15   16 o   8.6000   1.1400   10.050   1.2370   7.1490   1.9150 2.901000 2.280000 
1 1 1   25   15   17 o   2.8580   0.9801   2.9690   1.4130   2.7470   1.3590 0.2221000 1.960000 
1 1 1   25   15   18 o   11.140   0.7114   11.260   0.9768   11.030   1.0350 0.2318000 1.423000 
1 1 1   25   15   19 f   7.8340   1.0570   6.9800   1.5980   8.6880   1.3840 -1.708000 2.114000 
1 1 1   25   15   20 o   15.650   0.5597   15.820   0.7507   15.490   0.8304 0.3356000 1.119000 
1 1 1   25   15   21 o   4.1400   1.2020   3.5550   1.5760   4.7250   1.8150 -1.170000 2.404000 
1 1 1   25   15   22 o   5.3560   1.3380   5.1550   1.8610   5.5570   1.9230 -0.4015000 2.676000 
1 1 1   25   15   23 f   4.3330   1.2820   4.6590   1.8560   4.0070   1.7700 0.6522000 2.564000 
1 1 1   25   15   24 o   3.4540   1.1260   3.0430   1.4480   3.8660   1.7250 -0.8221000 2.252000 
1 1 1   25   15   25 o   4.7880   1.3820   5.4570   2.0540   4.1180   1.8500 1.339000 2.764000 
1 1 1   25   15   26 o   5.7380   1.3670   6.5510   1.9440   4.9240   1.9210 1.627000 2.733000 
1 1 1   25   15   27 o   4.5680   1.3780   4.0250   1.8390   5.1110   2.0530 -1.086000 2.756000 
1 1 1   25   15   28 o   2.7220   0.9522   2.3900   1.2070   3.0540   1.4730 -0.6634000 1.904000 
1 1 1   25   15   29 o   2.9090   1.0110   2.9330   1.4280   2.8850   1.4310 0.4725000E-01 2.022000 
1 1 1   25   15   30 o   1.7360   0.6401   1.7880   0.9313   1.6840   0.8784 0.1037000 1.280000 
1 1 1   25   17    0 o   14.020   0.6000   14.500   0.8178   13.540   0.8782 0.9579000 1.200000 
1 1 1   25   17    1 o   27.660   0.3680   27.870   0.5064   27.460   0.5341 0.4053000 0.7360000 
1 1 1   25   17    2 o   26.410   0.3784   26.900   0.5184   25.920   0.5513 0.9761000 0.7568000 
1 1 1   25   17    3 o   26.580   0.3765   27.120   0.5137   26.040   0.5505 1.087000 0.7530000 
1 1 1   25   17    4 o   4.0100   1.1940   4.1570   1.6950   3.8630   1.6840 0.2940000 2.389000 
1 1 1   25   17    5 o   20.330   0.4457   20.430   0.6053   20.220   0.6545 0.2149000 0.8915000 
1 1 1   25   17    6 o   14.050   0.6227   14.120   0.8279   13.980   0.9305 0.1417000 1.245000 
1 1 1   25   17    7 o   5.1370   1.3110   4.2150   1.7460   6.0580   1.9560 -1.843000 2.622000 
1 1 1   25   17    8 o   34.000   0.5086   34.150   0.7189   33.850   0.7197 0.2977000 1.017000 
1 1 1   25   17    9 o   14.640   0.9284   13.750   1.4790   15.540   1.1220 -1.794000 1.857000 
1 1 1   25   17   10 o   11.450   0.7259   11.050   1.0390   11.860   1.0140 -0.8058000 1.452000 
1 1 1   25   17   11 o   13.700   0.5979   13.730   0.8139   13.670   0.8762 0.6283000E-01 1.196000 
1 1 1   25   17   12 o   12.140   0.6612   12.550   0.8862   11.730   0.9816 0.8226000 1.322000 
1 1 1   25   17   13 o   4.3310   1.2050   3.8390   1.6180   4.8230   1.7870 -0.9844000 2.410000 
1 1 1   25   17   14 o   6.5650   1.1650   6.9850   1.5520   6.1450   1.7370 0.8402000 2.329000 
1 1 1   25   17   15 f   4.2190   1.2570   4.3890   1.7740   4.0490   1.7800 0.3401000 2.513000 
1 1 1   25   17   16 o   11.090   0.7531   11.810   0.9632   10.370   1.1580 1.441000 1.506000 
1 1 1   25   17   17 o   16.060   0.5328   15.810   0.7335   16.310   0.7728 -0.5012000 1.066000 
1 1 1   25   17   18 o   4.8750   1.2480   4.5370   1.7150   5.2130   1.8130 -0.6764000 2.496000 
1 1 1   25   17   19 o   4.6540   1.2630   4.2760   1.7120   5.0330   1.8570 -0.7563000 2.525000 
1 1 1   25   17   20 o   5.6440   1.2710   4.4390   1.7700   6.8480   1.8250 -2.409000 2.543000 
1 1 1   25   17   21 o   4.3840   1.2910   4.4850   1.8180   4.2840   1.8330 0.2009000 2.582000 
1 1 1   25   17   22 o   4.5200   1.2790   4.7700   1.8210   4.2690   1.7970 0.5009000 2.558000 
1 1 1   25   17   23 o   4.1180   1.2520   3.7910   1.6830   4.4460   1.8530 -0.6553000 2.503000 
1 1 1   25   17   24 o   5.3930   1.4780   5.4920   2.0830   5.2940   2.0970 0.1978000 2.956000 
1 1 1   25   17   25 o   4.8080   1.3440   4.0580   1.7840   5.5570   2.0110 -1.499000 2.688000 
1 1 1   25   17   26 o   4.0550   1.3070   3.9530   1.8090   4.1570   1.8860 -0.2037000 2.613000 
1 1 1   25   17   27 o   3.1540   1.0670   3.2420   1.5370   3.0660   1.4800 0.1762000 2.134000 
1 1 1   25   17   28 o   3.0650   1.0410   3.1880   1.5180   2.9420   1.4270 0.2463000 2.083000 
1 1 1   25   19    0 o   8.0640   1.1700   9.1520   1.4260   6.9750   1.8550 2.176000 2.340000 
1 1 1   25   19    1 o   12.470   0.7454   12.250   1.0350   12.700   1.0730 -0.4546000 1.491000 
1 1 1   25   19    2 o   14.490   0.6522   15.050   0.8535   13.920   0.9863 1.130000 1.304000 
1 1 1   25   19    3 o   41.690   0.3966   42.110   0.5581   41.260   0.5636 0.8526000 0.7932000 
1 1 1   25   19    4 o   30.590   0.3977   29.970   0.5552   31.210   0.5697 -1.243000 0.7955000 
1 1 1   25   19    5 o   20.920   0.5352   20.670   0.7481   21.170   0.7655 -0.5038000 1.070000 
1 1 1   25   19    6 o   16.100   0.6513   16.580   0.8644   15.620   0.9745 0.9652000 1.303000 
1 1 1   25   19    7 o   5.1830   1.2450   3.8210   1.7080   6.5440   1.8130 -2.724000 2.491000 
1 1 1   25   19    8 o   10.630   0.7436   10.020   1.0430   11.240   1.0600 -1.221000 1.487000 
1 1 1   25   19    9 o   6.9420   1.1080   8.3250   1.3060   5.5580   1.7910 2.766000 2.217000 
1 1 1   25   19   10 o   10.030   0.8054   10.950   0.9469   9.1050   1.3030 1.849000 1.611000 
1 1 1   25   19   11 o   3.5540   1.0840   2.7060   1.3040   4.4010   1.7330 -1.695000 2.169000 
1 1 1   25   19   12 f   3.6230   1.1050   4.1210   1.6610   3.1240   1.4590 0.9969000 2.211000 
1 1 1   25   19   13 o   5.2700   1.3420   4.6120   1.8140   5.9290   1.9790 -1.317000 2.685000 
1 1 1   25   19   14 o   4.0860   1.1860   5.1240   1.8570   3.0470   1.4770 2.077000 2.373000 
1 1 1   25   19   15 o   6.3490   1.2240   4.6380   1.9440   8.0600   1.4880 -3.422000 2.448000 
1 1 1   25   19   16 o   6.6950   1.1620   8.2540   1.4310   5.1370   1.8330 3.117000 2.325000 
1 1 1   25   19   17 o   2.7570   0.9473   2.7020   1.3150   2.8130   1.3640 -0.1104000 1.895000 
1 1 1   25   19   18 o   7.5340   1.2630   7.9130   1.6280   7.1550   1.9320 0.7577000 2.527000 
1 1 1   25   19   19 f   4.0720   1.2490   4.2070   1.7650   3.9380   1.7680 0.2697000 2.499000 
1 1 1   25   19   20 o   3.6980   1.1440   4.4760   1.7960   2.9210   1.4180 1.554000 2.288000 
1 1 1   25   19   21 o   4.1670   1.2670   3.2190   1.5170   5.1150   2.0290 -1.896000 2.533000 
1 1 1   25   19   22 o   5.5340   1.3440   4.3630   1.8120   6.7050   1.9860 -2.342000 2.688000 
1 1 1   25   19   23 o   4.6170   1.4020   4.1700   1.8790   5.0640   2.0810 -0.8941000 2.804000 
1 1 1   25   19   24 o   5.0200   1.3690   3.4290   1.6320   6.6110   2.1980 -3.182000 2.738000 
1 1 1   25   19   25 o   2.8110   0.9932   2.8240   1.4110   2.7970   1.3990 0.2744000E-01 1.986000 
1 1 1   25   19   26 o   2.6730   0.9353   2.4820   1.2400   2.8640   1.4010 -0.3818000 1.871000 
1 1 1   25   19   27 o   2.2680   0.8118   2.5180   1.2530   2.0170   1.0320 0.5008000 1.624000 
1 1 1   25   21    0 o   15.430   0.5984   15.940   0.8319   14.930   0.8603 1.009000 1.197000 
1 1 1   25   21    1 o   13.150   0.7941   12.990   1.0160   13.310   1.2200 -0.3213000 1.588000 
1 1 1   25   21    2 o   25.000   0.4517   25.020   0.6170   24.970   0.6598 0.5208000E-01 0.9034000 
1 1 1   25   21    3 o   3.6850   1.1630   3.7650   1.6810   3.6050   1.6090 0.1602000 2.327000 
1 1 1   25   21    4 o   16.540   0.4960   16.280   0.6749   16.800   0.7270 -0.5198000 0.9920000 
1 1 1   25   21    5 o   3.0320   0.9873   3.6140   1.5560   2.4490   1.2150 1.164000 1.975000 
1 1 1   25   21    6 o   6.2050   1.1880   6.9460   1.5490   5.4640   1.8010 1.481000 2.375000 
1 1 1   25   21    7 o   13.750   0.5960   14.000   0.7755   13.500   0.9053 0.5065000 1.192000 
1 1 1   25   21    8 o   5.2150   1.2500   4.9330   1.6940   5.4960   1.8380 -0.5624000 2.500000 
1 1 1   25   21    9 o   14.840   0.5638   15.750   0.6929   13.940   0.8896 1.812000 1.128000 
1 1 1   25   21   10 o   3.9580   1.1170   2.5940   1.2600   5.3210   1.8440 -2.727000 2.234000 
1 1 1   25   21   11 o   8.7640   1.0730   7.5230   1.5770  10.0000   1.4560 -2.481000 2.147000 
1 1 1   25   21   12 o   4.6810   1.3260   5.1090   1.9210   4.2520   1.8270 0.8563000 2.651000 
1 1 1   25   21   13 o   6.2110   1.1620   7.9280   1.4870   4.4940   1.7840 3.434000 2.323000 
1 1 1   25   21   14 o   4.9230   1.2660   5.5110   1.7870   4.3350   1.7950 1.176000 2.533000 
1 1 1   25   21   15 o   4.8410   1.2180   6.0460   1.7950   3.6350   1.6470 2.412000 2.436000 
1 1 1   25   21   16 o   3.5170   1.1540   3.3100   1.5570   3.7230   1.7030 -0.4127000 2.307000 
1 1 1   25   21   17 o   4.2970   1.2830   4.6050   1.8380   3.9880   1.7920 0.6164000 2.567000 
1 1 1   25   21   18 o   5.7750   1.3340   6.4350   1.8420   5.1150   1.9290 1.320000 2.668000 
1 1 1   25   21   19 o   3.3680   1.1120   3.1230   1.4850   3.6120   1.6560 -0.4894000 2.224000 
1 1 1   25   21   20 o   3.6840   1.1830   3.4430   1.5870   3.9260   1.7540 -0.4835000 2.366000 
1 1 1   25   21   21 o   3.9380   1.2700   4.4950   1.9470   3.3810   1.6320 1.113000 2.541000 
1 1 1   25   21   22 o   3.8990   1.3130   3.4810   1.7150   4.3180   1.9880 -0.8377000 2.625000 
1 1 1   25   21   23 o   3.7280   1.2340   3.8140   1.7680   3.6430   1.7220 0.1707000 2.468000 
1 1 1   25   21   24 o   3.1670   1.0680   3.2350   1.5280   3.0990   1.4910 0.1355000 2.135000 
1 1 1   25   21   25 o   3.0780   1.0370   3.2920   1.5350   2.8630   1.3960 0.4286000 2.075000 
1 1 1   25   23    0 o   10.560   0.8146   10.250   1.0510   10.870   1.2450 -0.6256000 1.629000 
1 1 1   25   23    1 o   7.4130   1.1620   6.4060   1.6400   8.4210   1.6470 -2.015000 2.324000 
1 1 1   25   23    2 o   28.830   0.3587   29.210   0.4873   28.450   0.5265 0.7558000 0.7174000 
1 1 1   25   23    3 o   5.6040   1.2300   4.5460   1.7020   6.6630   1.7770 -2.117000 2.460000 
1 1 1   25   23    4 o   12.700   0.6454   13.210   0.8173   12.180   0.9992 1.030000 1.291000 
1 1 1   25   23    5 o   6.0850   1.2110   5.4880   1.6990   6.6810   1.7250 -1.193000 2.422000 
1 1 1   25   23    6 o   7.1340   1.1370   6.8570   1.5770   7.4110   1.6390 -0.5537000 2.274000 
1 1 1   25   23    7 f   16.780   0.5920   16.930   0.7419   16.640   0.9227 0.2953000 1.184000 
1 1 1   25   23    8 o   16.900   0.5995   17.830   0.7216   15.980   0.9576 1.850000 1.199000 
1 1 1   25   23    9 o   15.730   0.6410   16.680   0.7750   14.770   1.0210 1.919000 1.282000 
1 1 1   25   23   10 o   10.480   0.8436   11.370   0.9900   9.5940   1.3660 1.771000 1.687000 
1 1 1   25   23   11 o   13.460   0.6520   13.460   0.8719   13.460   0.9695 0.4869000E-02 1.304000 
1 1 1   25   23   12 o   17.470   0.5276   17.850   0.6893   17.080   0.7990 0.7699000 1.055000 
1 1 1   25   23   13 o   10.790   0.9269   10.540   1.3030   11.040   1.3190 -0.5025000 1.854000 
1 1 1   25   23   14 o   7.5390   1.3410   7.0190   1.9010   8.0580   1.8930 -1.038000 2.683000 
1 1 1   25   23   15 o   7.9380   1.2160   7.3460   1.7820   8.5300   1.6540 -1.184000 2.432000 
1 1 1   25   23   16 o   3.6610   1.1580   4.2520   1.7820   3.0710   1.4800 1.181000 2.316000 
1 1 1   25   23   17 o   3.5730   1.1590   3.5230   1.6140   3.6230   1.6650 -0.1005000 2.319000 
1 1 1   25   23   18 o   5.0950   1.3600   5.1240   1.8920   5.0660   1.9530 0.5783000E-01 2.719000 
1 1 1   25   23   19 o   3.4630   1.1400   3.1420   1.5010   3.7840   1.7160 -0.6413000 2.280000 
1 1 1   25   23   20 o   5.1550   1.5300   4.1980   1.9770   6.1120   2.3350 -1.913000 3.059000 
1 1 1   25   23   21 o   5.0460   1.4030   6.1320   2.1380   3.9590   1.8160 2.173000 2.805000 
1 1 1   25   23   22 f   3.7040   1.1780   4.2120   1.7950   3.1960   1.5260 1.016000 2.356000 
1 1 1   25   23   23 o   2.6610   0.9320   2.8450   1.3870   2.4780   1.2450 0.3664000 1.864000 
1 1 1   25   23   24 o   1.6870   0.6222   1.7260   0.9001   1.6470   0.8593 0.7908000E-01 1.244000 
1 1 1   25   25    0 o   12.520   0.6626   12.980   0.8709   12.060   0.9988 0.9211000 1.325000 
1 1 1   25   25    1 o   13.200   0.7236   13.930   0.8286   12.470   1.1870 1.461000 1.447000 
1 1 1   25   25    2 o   13.070   0.9507   14.130   0.9054   12.020   1.6720 2.110000 1.901000 
1 1 1   25   25    3 o   12.010   0.9940   11.980   1.0770   12.030   1.6710 -0.5864000E-01 1.988000 
1 1 1   25   25    4 o   8.9220   1.1580   13.140   0.9876   4.7070   2.0960 8.430000 2.317000 
1 1 1   25   25    5 o   8.2530   1.4170   7.8630   1.6630   8.6430   2.2950 -0.7796000 2.834000 
1 1 1   25   25    6 o   15.330   0.7734   15.280   0.7840   15.380   1.3330 -0.1013000 1.547000 
1 1 1   25   25    7 o   5.1480   1.4560   4.4180   1.7540   5.8780   2.3230 -1.460000 2.911000 
1 1 1   25   25    8 o   13.080   1.2890   14.270   0.9618   11.900   2.3930 2.367000 2.579000 
1 1 1   25   25    9 o   7.7810   1.6240   8.6830   1.6320   6.8790   2.8090 1.804000 3.249000 
1 1 1   25   25   10 o   4.2430   1.4070   3.8310   1.7110   4.6540   2.2340 -0.8227000 2.814000 
1 1 1   25   25   11 o   4.2720   1.3240   4.1920   1.7300   4.3510   2.0040 -0.1591000 2.648000 
1 1 1   25   25   12 o   4.4450   1.3520   4.4520   1.8010   4.4380   2.0170 0.1452000E-01 2.704000 
1 1 1   25   25   13 o   5.4220   1.4220   5.9750   1.8800   4.8680   2.1340 1.107000 2.844000 
1 1 1   25   25   14 o   6.5090   1.5260   6.4730   1.8600   6.5440   2.4210 -0.7047000E-01 3.053000 
1 1 1   25   25   15 o   3.4240   1.1690   3.1870   1.5120   3.6610   1.7830 -0.4732000 2.338000 
1 1 1   25   25   16 o   4.3820   1.3680   4.6400   1.9290   4.1240   1.9390 0.5158000 2.735000 
1 1 1   25   25   17 o   3.5380   1.2220   3.6830   1.7310   3.3920   1.7260 0.2909000 2.444000 
1 1 1   25   25   18 o   3.8310   1.3360   3.7230   1.8100   3.9390   1.9650 -0.2165000 2.671000 
1 1 1   25   25   19 o   3.9460   1.2590   3.2100   1.5310   4.6820   1.9990 -1.471000 2.518000 
1 1 1   25   25   20 o   3.4040   1.1270   4.0550   1.7700   2.7540   1.3960 1.301000 2.254000 
1 1 1   25   25   21 o   2.5070   0.8937   2.3550   1.1870   2.6600   1.3370 -0.3056000 1.787000 
1 1 1   25   27    0 o   14.160   0.7117   14.400   0.9879   13.910   1.0250 0.4949000 1.423000 
1 1 1   25   27    1 o   7.5560   1.3230   6.6280   1.9380   8.4830   1.8010 -1.854000 2.646000 
1 1 1   25   27    2 o   9.2010   1.1570   9.3890   1.5350   9.0130   1.7310 0.3758000 2.314000 
1 1 1   25   27    3 o   9.2960   1.1740   9.9260   1.4610   8.6660   1.8380 1.260000 2.348000 
1 1 1   25   27    4 o   5.0850   1.3120   3.5950   1.6580   6.5760   2.0340 -2.981000 2.625000 
1 1 1   25   27    5 o   4.4580   1.2550   5.0970   1.8410   3.8200   1.7070 1.277000 2.511000 
1 1 1   25   27    6 o   5.3060   1.3290   4.7490   1.8210   5.8630   1.9360 -1.115000 2.658000 
1 1 1   25   27    7 o   9.1730   1.0060   8.6870   1.4340   9.6590   1.4110 -0.9729000 2.012000 
1 1 1   25   27    8 o   3.4250   1.1220   3.3210   1.5460   3.5280   1.6260 -0.2074000 2.244000 
1 1 1   25   27    9 o   8.5100   1.1330   9.3780   1.3930   7.6420   1.7860 1.736000 2.265000 
1 1 1   25   27   10 o   8.4580   1.1600   8.7170   1.5910   8.1980   1.6890 0.5186000 2.320000 
1 1 1   25   27   11 o   3.5220   1.1500   3.6430   1.6570   3.4010   1.5950 0.2417000 2.300000 
1 1 1   25   27   12 o   2.6330   0.9262   2.5260   1.2620   2.7390   1.3560 -0.2129000 1.852000 
1 1 1   25   27   13 f   3.9510   1.2360   3.4680   1.6130   4.4330   1.8730 -0.9645000 2.472000 
1 1 1   25   27   14 o   5.2050   1.4450   4.5380   1.9440   5.8720   2.1380 -1.333000 2.890000 
1 1 1   25   27   15 o   4.2660   1.4100   4.6120   2.1020   3.9200   1.8780 0.6928000 2.819000 
1 1 1   25   27   16 o   4.3180   1.3500   3.9490   1.8150   4.6880   1.9980 -0.7386000 2.699000 
1 1 1   25   27   17 o   3.1990   1.0740   3.4590   1.6000   2.9400   1.4330 0.5192000 2.148000 
1 1 1   25   27   18 o   2.7040   0.9498   2.8440   1.4010   2.5640   1.2830 0.2795000 1.900000 
1 1 1   25   27   19 o   3.6560   1.1990   4.1280   1.8310   3.1840   1.5480 0.9446000 2.397000 
1 1 1   25   29    0 o   3.5860   1.1500   3.6850   1.6480   3.4870   1.6030 0.1979000 2.299000 
1 1 1   25   29    1 o   10.280   0.9273   9.7250   1.3570   10.840   1.2640 -1.115000 1.855000 
1 1 1   25   29    2 o   6.2420   1.3220   7.1270   1.8030   5.3580   1.9330 1.768000 2.644000 
1 1 1   25   29    3 o   4.9300   1.3150   4.0860   1.7560   5.7740   1.9570 -1.688000 2.629000 
1 1 1   25   29    4 o   4.5510   1.3020   4.6650   1.8430   4.4370   1.8410 0.2276000 2.604000 
1 1 1   25   29    5 o   12.240   0.7871   12.250   1.0970   12.230   1.1290 0.1559000E-01 1.574000 
1 1 1   25   29    6 o   5.6240   1.3380   6.5940   1.8960   4.6550   1.8890 1.939000 2.677000 
1 1 1   25   29    7 o   4.9760   1.3510   5.3300   1.9370   4.6220   1.8840 0.7078000 2.702000 
1 1 1   25   29    8 o   5.8890   1.3530   5.0460   1.9050   6.7320   1.9220 -1.686000 2.706000 
1 1 1   25   29    9 o   3.5560   1.1760   4.0420   1.8110   3.0690   1.5010 0.9729000 2.352000 
1 1 1   25   29   10 o   4.4470   1.3180   3.2750   1.5740   5.6190   2.1150 -2.345000 2.636000 
1 1 1   25   29   11 o   6.0890   1.4020   7.5110   1.9910   4.6670   1.9730 2.844000 2.803000 
1 1 1   25   29   12 o   3.2980   1.1250   3.4920   1.6560   3.1030   1.5230 0.3888000 2.250000 
1 1 1   25   29   13 o   3.1440   1.0840   2.7010   1.3530   3.5860   1.6950 -0.8859000 2.168000 
1 1 1   25   29   14 f   3.7020   1.1500   4.6510   1.8560   2.7520   1.3570 1.900000 2.299000 
1 1 1   25   29   15 o   2.6930   0.9398   2.3920   1.2010   2.9940   1.4460 -0.6015000 1.880000 
1 1 1   25   29   16 o   2.1470   0.7883   2.1440   1.1130   2.1500   1.1160 -0.5802000E-02 1.577000 
1 1 1   25   31    0 o   5.6900   1.3150   3.7530   1.7200   7.6260   1.9890 -3.873000 2.630000 
1 1 1   25   31    1 o   4.7960   1.3860   4.5550   1.9040   5.0380   2.0140 -0.4824000 2.771000 
1 1 1   25   31    2 o   11.230   0.9947   11.720   1.2900   10.740   1.5140 0.9815000 1.989000 
1 1 1   25   31    3 o   4.1030   1.2840   3.5650   1.6630   4.6410   1.9560 -1.076000 2.567000 
1 1 1   25   31    4 o   4.8510   1.3930   4.4380   1.8840   5.2640   2.0520 -0.8260000 2.786000 
1 1 1   25   31    5 o   5.0760   1.2930   3.8310   1.6980   6.3210   1.9510 -2.491000 2.586000 
1 1 1   25   31    6 o   8.1670   1.1810   8.7200   1.5410   7.6140   1.7910 1.106000 2.363000 
1 1 1   25   31    7 o   3.1410   1.0780   2.6390   1.3080   3.6420   1.7130 -1.004000 2.155000 
1 1 1   25   31    8 o   4.3850   1.3330   4.8820   1.9820   3.8880   1.7820 0.9943000 2.665000 
1 1 1   25   31    9 o   3.3610   1.1330   3.6550   1.6990   3.0660   1.4990 0.5896000 2.266000 
1 1 1   25   31   10 o   2.9170   0.9949   3.1160   1.4760   2.7180   1.3350 0.3979000 1.990000 
1 1 1   25   31   11 f   2.3710   0.8414   2.2610   1.1410   2.4820   1.2370 -0.2206000 1.683000 
1 1 1   25   33    0 o   2.2040   0.7967   2.2260   1.1320   2.1810   1.1220 0.4564000E-01 1.593000 
1 1 1   25   33    1 o   2.4480   0.8731   2.4220   1.2230   2.4750   1.2470 -0.5297000E-01 1.746000 
1 1 1   25   33    2 o   2.9450   1.0200   2.8570   1.4050   3.0340   1.4780 -0.1771000 2.039000 
1 1 1   25   33    3 o   2.1850   0.7912   2.4030   1.2150   1.9680   1.0140 0.4344000 1.582000 
1 1 1   25   33    4 o   2.0260   0.7444   2.0290   1.0540   2.0240   1.0520 0.5086000E-02 1.489000 
1 1 1   26    0    0 o   28.320   0.4306   28.320   0.4306   28.320   0.4306 -0.000000 0.000000 
1 1 1   26    0    1 o   50.120   0.4634   50.120   0.4634   50.120   0.4634 -0.000000 0.000000 
1 1 1   26    0    2 o   67.910   0.6134   67.910   0.6134   67.910   0.6134 -0.000000 0.000000 
1 1 1   26    0    3 o   33.470   0.3493   33.470   0.3493   33.470   0.3493 0.000000 0.000000 
1 1 1   26    0    4 o   7.1520   0.7912   7.1520   0.7912   7.1520   0.7912 -0.000000 0.000000 
1 1 1   26    0    5 o   43.570   0.4238   43.570   0.4238   43.570   0.4238 -0.000000 0.000000 
1 1 1   26    0    6 o   92.070   1.1720   92.070   1.1720   92.070   1.1720 -0.000000 0.000000 
1 1 1   26    0    7 o  106.400   0.9520  106.400   0.9520  106.400   0.9520 0.000000 0.000000 
1 1 1   26    0    8 o   17.520   0.4495   17.520   0.4495   17.520   0.4495 -0.000000 0.000000 
1 1 1   26    0    9 o   25.920   0.3907   25.920   0.3907   25.920   0.3907 0.000000 0.000000 
1 1 1   26    0   10 o   13.920   0.6187   13.920   0.6187   13.920   0.6187 -0.000000 0.000000 
1 1 1   26    0   11 o   47.990   0.4831   47.990   0.4831   47.990   0.4831 -0.000000 0.000000 
1 1 1   26    0   12 o   3.5360   1.9240   3.5360   1.9240   3.5360   1.9240 -0.000000 0.000000 
1 1 1   26    0   13 o   57.540   0.6521   57.540   0.6521   57.540   0.6521 0.000000 0.000000 
1 1 1   26    0   14 o   23.540   0.6478   23.540   0.6478   23.540   0.6478 0.000000 0.000000 
1 1 1   26    0   15 o   9.5360   1.6190   9.5360   1.6190   9.5360   1.6190 -0.000000 0.000000 
1 1 1   26    0   16 o   10.690   1.0820   10.690   1.0820   10.690   1.0820 0.000000 0.000000 
1 1 1   26    0   17 o   3.8500   2.0570   3.8500   2.0570   3.8500   2.0570 -0.000000 0.000000 
1 1 1   26    0   18 o   15.470   0.6996   15.470   0.6996   15.470   0.6996 0.000000 0.000000 
1 1 1   26    0   19 o   4.6600   2.0790   4.6600   2.0790   4.6600   2.0790 0.000000 0.000000 
1 1 1   26    0   20 o   2.9580   1.9580   2.9580   1.9580   2.9580   1.9580 0.000000 0.000000 
1 1 1   26    0   21 o   9.3060   1.1300   9.3060   1.1300   9.3060   1.1300 -0.000000 0.000000 
1 1 1   26    0   22 o   2.6540   1.6960   2.6540   1.6960   2.6540   1.6960 0.000000 0.000000 
1 1 1   26    0   23 o   2.5690   1.6620   2.5690   1.6620   2.5690   1.6620 0.000000 0.000000 
1 1 1   26    0   24 o   6.2160   1.9320   6.2160   1.9320   6.2160   1.9320 0.000000 0.000000 
1 1 1   26    0   25 o   2.2180   1.5150   2.2180   1.5150   2.2180   1.5150 0.000000 0.000000 
1 1 1   26    0   26 o   2.1380   1.4760   2.1380   1.4760   2.1380   1.4760 0.000000 0.000000 
1 1 1   26    0   27 o   3.9190   2.1290   3.9190   2.1290   3.9190   2.1290 -0.000000 0.000000 
1 1 1   26    0   29 o   3.9600   2.2220   3.9600   2.2220   3.9600   2.2220 0.000000 0.000000 
1 1 1   26    0   30 o   2.5550   1.7420   2.5550   1.7420   2.5550   1.7420 -0.000000 0.000000 
1 1 1   26    0   31 o   4.7040   2.3540   4.7040   2.3540   4.7040   2.3540 -0.000000 0.000000 
1 1 1   26    0   32 o   2.3760   1.7050   2.3760   1.7050   2.3760   1.7050 -0.000000 0.000000 
1 1 1   26    0   33 o   2.1550   1.5200   2.1550   1.5200   2.1550   1.5200 0.000000 0.000000 
1 1 1   26    2    0 o   91.250   0.6237   91.280   0.9435   91.220   0.8160 0.6047000E-01 1.247000 
1 1 1   26    2    1 o   75.130   0.5524   75.070   0.7808   75.190   0.7817 -0.1164000 1.105000 
1 1 1   26    2    2 o   34.050   0.2480   34.090   0.3518   34.010   0.3497 0.7898000E-01 0.4960000 
1 1 1   26    2    3 o   8.4660   0.4180   8.9590   0.5828   7.9730   0.5994 0.9860000 0.8361000 
1 1 1   26    2    4 o   10.860   0.3601   10.880   0.5298   10.840   0.4879 0.4130000E-01 0.7202000 
1 1 1   26    2    5 o   52.510   0.4009   52.780   0.5706   52.230   0.5632 0.5525000 0.8017000 
1 1 1   26    2    6 o   71.240   0.5302   71.120   0.7478   71.360   0.7517 -0.2337000 1.060000 
1 1 1   26    2    7 o   76.610   0.5688   76.490   0.8020   76.730   0.8068 -0.2447000 1.138000 
1 1 1   26    2    8 o   25.830   0.2880   26.000   0.3731   25.670   0.4388 0.3340000 0.5760000 
1 1 1   26    2    9 o   62.820   0.4138   63.410   0.5894   62.230   0.5809 1.184000 0.8275000 
1 1 1   26    2   10 o   37.850   0.3008   37.880   0.4256   37.810   0.4251 0.7322000E-01 0.6015000 
1 1 1   26    2   11 o   42.580   0.3231   42.610   0.4560   42.550   0.4580 0.5732000E-01 0.6463000 
1 1 1   26    2   12 o   39.750   0.3208   39.690   0.4522   39.810   0.4552 -0.1264000 0.6417000 
1 1 1   26    2   13 o   46.930   0.4064   47.570   0.5603   46.290   0.5888 1.280000 0.8128000 
1 1 1   26    2   14 o   22.300   0.4191   22.170   0.5787   22.430   0.6064 -0.2523000 0.8382000 
1 1 1   26    2   15 o   5.8120   1.3360   7.0030   1.9030   4.6200   1.8750 2.383000 2.671000 
1 1 1   26    2   16 o   16.720   0.5381   16.740   0.8179   16.700   0.6994 0.4764000E-01 1.076000 
1 1 1   26    2   17 o   2.7700   0.9392   2.9130   1.3770   2.6260   1.2770 0.2872000 1.878000 
1 1 1   26    2   18 o   4.7730   1.2030   4.7770   1.7120   4.7680   1.6910 0.8596000E-02 2.407000 
1 1 1   26    2   19 o   17.620   0.5138   17.040   0.7818   18.200   0.6670 -1.164000 1.028000 
1 1 1   26    2   20 o   6.4080   1.3530   8.2070   1.8930   4.6100   1.9330 3.597000 2.705000 
1 1 1   26    2   21 o   17.650   0.4389   17.470   0.6153   17.830   0.6260 -0.3669000 0.8778000 
1 1 1   26    2   22 o   6.5480   1.0870   7.4730   1.3810   5.6220   1.6780 1.851000 2.174000 
1 1 1   26    2   23 o   12.160   0.6174   13.240   0.7966   11.080   0.9434 2.166000 1.235000 
1 1 1   26    2   24 o   13.970   0.5745   14.900   0.7261   13.040   0.8906 1.862000 1.149000 
1 1 1   26    2   25 o   4.1280   1.1350   3.0940   1.4380   5.1610   1.7580 -2.067000 2.271000 
1 1 1   26    2   26 o   11.450   0.7121   11.550   1.0110   11.360   1.0030 0.1966000 1.424000 
1 1 1   26    2   27 o   6.0640   1.2680   6.9330   1.7350   5.1950   1.8510 1.738000 2.537000 
1 1 1   26    2   28 o   3.5180   1.1900   3.5370   1.6880   3.4990   1.6790 0.3748000E-01 2.380000 
1 1 1   26    2   29 o   4.2600   1.2740   4.3420   1.8040   4.1780   1.8000 0.1649000 2.548000 
1 1 1   26    2   30 o   2.9630   1.0190   2.7890   1.3700   3.1360   1.5080 -0.3470000 2.038000 
1 1 1   26    2   31 f   3.9790   1.2360   3.5190   1.6310   4.4400   1.8570 -0.9203000 2.472000 
1 1 1   26    2   32 o   2.8980   1.0310   3.0160   1.5080   2.7810   1.4050 0.2344000 2.061000 
1 1 1   26    2   33 o   2.8140   0.9728   2.6030   1.2900   3.0250   1.4570 -0.4220000 1.946000 
1 1 1   26    4    0 o   41.950   0.3073   42.790   0.4036   41.110   0.4635 1.672000 0.6146000 
1 1 1   26    4    1 o   34.830   0.2935   34.730   0.4132   34.930   0.4170 -0.2017000 0.5870000 
1 1 1   26    4    2 o   19.090   0.3134   19.300   0.4598   18.880   0.4258 0.4175000 0.6267000 
1 1 1   26    4    3 o   33.380   0.2843   33.350   0.4030   33.420   0.4011 -0.6371000E-01 0.5686000 
1 1 1   26    4    4 o   37.940   0.3534   36.580   0.4363   39.300   0.5560 -2.727000 0.7067000 
1 1 1   26    4    5 o   82.580   0.5692   81.880   0.8554   83.280   0.7513 -1.404000 1.138000 
1 1 1   26    4    6 o   81.900   0.6062   81.450   0.8519   82.350   0.8626 -0.8973000 1.212000 
1 1 1   26    4    7 o   14.250   0.4609   14.100   0.6195   14.400   0.6826 -0.3037000 0.9219000 
1 1 1   26    4    8 o   25.290   0.2781   25.240   0.3866   25.340   0.3998 -0.1003000 0.5562000 
1 1 1   26    4    9 o   92.590   0.5915   92.550   0.8360   92.630   0.8371 -0.8810000E-01 1.183000 
1 1 1   26    4   10 o   23.330   0.3155   23.770   0.4396   22.900   0.4527 0.8692000 0.6310000 
1 1 1   26    4   11 o   29.090   0.3073   29.270   0.4320   28.910   0.4371 0.3551000 0.6145000 
1 1 1   26    4   12 o   27.260   0.3719   26.530   0.4639   27.990   0.5814 -1.450000 0.7438000 
1 1 1   26    4   13 o   7.0280   0.9371   3.5760   1.5450   10.480   1.0600 -6.903000 1.874000 
1 1 1   26    4   14 o   11.740   0.7411   11.630   0.9981   11.850   1.0960 -0.2268000 1.482000 
1 1 1   26    4   15 o   13.240   0.7098   12.610   1.0720   13.880   0.9308 -1.276000 1.420000 
1 1 1   26    4   16 o   12.760   0.6959   13.010   1.0300   12.510   0.9360 0.5068000 1.392000 
1 1 1   26    4   17 o   29.550   0.3436   29.670   0.4754   29.430   0.4961 0.2418000 0.6872000 
1 1 1   26    4   18 o   11.020   0.6998   11.420   0.9220   10.620   1.0530 0.7996000 1.400000 
1 1 1   26    4   19 o   16.530   0.7205   15.110   1.2550   17.960   0.7078 -2.858000 1.441000 
1 1 1   26    4   20 o   8.2010   1.1030   8.5060   1.3640   7.8960   1.7330 0.6103000 2.206000 
1 1 1   26    4   21 o   12.690   0.5963   12.050   0.8627   13.330   0.8233 -1.285000 1.193000 
1 1 1   26    4   22 o   18.820   0.4247   19.070   0.5839   18.570   0.6168 0.4950000 0.8494000 
1 1 1   26    4   23 o   2.7170   0.9174   2.9390   1.3670   2.4940   1.2240 0.4443000 1.835000 
1 1 1   26    4   24 o   3.8670   1.1420   3.5450   1.5370   4.1890   1.6910 -0.6439000 2.285000 
1 1 1   26    4   25 o   7.6050   1.0670   8.9810   1.2600   6.2300   1.7240 2.752000 2.135000 
1 1 1   26    4   26 o   4.5710   1.2260   4.0300   1.6710   5.1120   1.7950 -1.082000 2.453000 
1 1 1   26    4   27 o   3.9090   1.2100   4.3850   1.8150   3.4340   1.5990 0.9511000 2.419000 
1 1 1   26    4   28 o   4.4670   1.3380   4.6740   1.9390   4.2590   1.8450 0.4157000 2.676000 
1 1 1   26    4   29 f   3.5760   1.1560   3.0720   1.4770   4.0800   1.7790 -1.009000 2.312000 
1 1 1   26    4   30 o   3.6480   1.1620   4.3340   1.8210   2.9620   1.4440 1.371000 2.324000 
1 1 1   26    4   31 o   3.8010   1.2440   4.2590   1.8910   3.3430   1.6160 0.9159000 2.487000 
1 1 1   26    4   32 o   2.3380   0.8444   2.1570   1.1070   2.5200   1.2750 -0.3631000 1.689000 
1 1 1   26    4   33 o   2.9850   1.0200   2.7030   1.3370   3.2670   1.5400 -0.5646000 2.040000 
1 1 1   26    6    0 o   34.880   0.4618   35.050   0.7740   34.720   0.5038 0.3313000 0.9235000 
1 1 1   26    6    1 f   53.560   0.4986   54.050   0.7106   53.070   0.6996 0.9738000 0.9972000 
1 1 1   26    6    2 o   37.670   0.2719   37.400   0.3813   37.930   0.3878 -0.5353000 0.5439000 
1 1 1   26    6    3 o   4.8400   0.7996   4.5200   1.1750   5.1610   1.0840 -0.6417000 1.599000 
1 1 1   26    6    4 o   32.940   0.2626   33.330   0.3731   32.560   0.3698 0.7629000 0.5253000 
1 1 1   26    6    5 o   71.140   0.4972   70.730   0.7486   71.560   0.6545 -0.8271000 0.9944000 
1 1 1   26    6    6 o   9.4590   0.6468   9.3230   0.8797   9.5960   0.9485 -0.2735000 1.294000 
1 1 1   26    6    7 o   4.5740   1.0280   4.7670   1.4180   4.3810   1.4890 0.3866000 2.056000 
1 1 1   26    6    8 o   28.060   0.2861   28.380   0.4000   27.730   0.4092 0.6479000 0.5722000 
1 1 1   26    6    9 o   36.840   0.3038   37.240   0.4291   36.440   0.4301 0.8021000 0.6076000 
1 1 1   26    6   10 f   36.070   0.3110   36.340   0.4406   35.810   0.4391 0.5336000 0.6220000 
1 1 1   26    6   11 o   33.170   0.3578   34.000   0.4514   32.350   0.5551 1.653000 0.7155000 
1 1 1   26    6   12 o   22.990   0.3659   22.970   0.5102   23.010   0.5247 -0.3814000E-01 0.7318000 
1 1 1   26    6   13 o   34.200   0.3703   33.690   0.5074   34.700   0.5395 -1.011000 0.7407000 
1 1 1   26    6   14 o   60.110   0.4186   59.780   0.5878   60.440   0.5960 -0.6585000 0.8371000 
1 1 1   26    6   15 o   34.320   0.3970   33.730   0.5620   34.910   0.5609 -1.184000 0.7940000 
1 1 1   26    6   16 o   7.7480   1.0520   8.3510   1.3310   7.1440   1.6300 1.206000 2.104000 
1 1 1   26    6   17 o   12.390   0.6232   12.770   0.8360   12.010   0.9246 0.7686000 1.246000 
1 1 1   26    6   18 o   5.4090   1.3390   5.2900   1.9240   5.5280   1.8630 -0.2384000 2.678000 
1 1 1   26    6   19 o   26.250   0.4639   26.900   0.7208   25.600   0.5842 1.303000 0.9278000 
1 1 1   26    6   20 o   2.9910   1.0180   2.6510   1.2940   3.3320   1.5720 -0.6802000 2.036000 
1 1 1   26    6   21 o   4.2940   1.1740   4.1560   1.6330   4.4310   1.6860 -0.2750000 2.347000 
1 1 1   26    6   22 o   5.2020   1.2000   4.9470   1.6900   5.4580   1.7040 -0.5113000 2.400000 
1 1 1   26    6   23 o   5.8340   1.1770   6.2860   1.5990   5.3820   1.7290 0.9038000 2.355000 
1 1 1   26    6   24 o   11.450   0.6767   11.430   0.9570   11.470   0.9569 -0.3663000E-01 1.353000 
1 1 1   26    6   25 o   2.9180   0.9814   3.1940   1.4780   2.6420   1.2910 0.5521000 1.963000 
1 1 1   26    6   26 o   4.7210   1.1780   6.1200   1.7910   3.3220   1.5320 2.798000 2.357000 
1 1 1   26    6   27 o   3.9370   1.2280   4.1140   1.7610   3.7610   1.7130 0.3532000 2.457000 
1 1 1   26    6   28 o   4.7850   1.3390   3.5070   1.6630   6.0630   2.0990 -2.556000 2.678000 
1 1 1   26    6   29 o   3.8640   1.2040   4.4140   1.8320   3.3130   1.5640 1.101000 2.409000 
1 1 1   26    6   30 o   3.5800   1.1700   3.4430   1.6050   3.7170   1.7030 -0.2745000 2.340000 
1 1 1   26    6   31 o   3.4360   1.1590   2.8440   1.4170   4.0280   1.8330 -1.184000 2.317000 
1 1 1   26    6   32 o   2.8500   1.0020   2.6900   1.3490   3.0100   1.4820 -0.3198000 2.004000 
1 1 1   26    8    0 o   52.560   0.3504   51.550   0.4874   53.560   0.5036 -2.008000 0.7008000 
1 1 1   26    8    1 o   59.100   0.4763   57.710   0.7706   60.480   0.5601 -2.774000 0.9526000 
1 1 1   26    8    2 o   92.260   0.7184   91.020   1.1650   93.500   0.8415 -2.480000 1.437000 
1 1 1   26    8    3 o   97.460   0.7616   97.210   1.2440   97.700   0.8787 -0.4862000 1.523000 
1 1 1   26    8    4 o   63.790   0.5183   63.680   0.8500   63.890   0.5934 -0.2067000 1.037000 
1 1 1   26    8    5 o  116.500   0.9558  115.400   1.4720  117.600   1.2200 -2.233000 1.912000 
1 1 1   26    8    6 o   65.270   0.5617   64.710   0.8688   65.830   0.7122 -1.112000 1.123000 
1 1 1   26    8    7 o   5.9500   1.2310   7.7820   1.9340   4.1180   1.5240 3.664000 2.462000 
1 1 1   26    8    8 o   16.210   0.5863   16.270   1.0050   16.150   0.6047 0.1209000 1.173000 
1 1 1   26    8    9 o   8.7210   1.1010   8.4610   1.9260   8.9820   1.0670 -0.5210000 2.202000 
1 1 1   26    8   10 f   25.290   0.4555   24.960   0.7648   25.610   0.4951 -0.6449000 0.9110000 
1 1 1   26    8   11 o   33.180   0.5305   33.060   0.9214   33.300   0.5263 -0.2421000 1.061000 
1 1 1   26    8   12 o   27.360   0.3894   26.930   0.5492   27.780   0.5521 -0.8448000 0.7787000 
1 1 1   26    8   13 o   49.020   0.3707   48.670   0.5224   49.380   0.5262 -0.7161000 0.7414000 
1 1 1   26    8   14 o   14.250   0.9296   12.170   1.6520   16.330   0.8529 -4.168000 1.859000 
1 1 1   26    8   15 o   20.370   0.5025   21.170   0.7010   19.570   0.7202 1.600000 1.005000 
1 1 1   26    8   16 f   13.640   0.5915   14.590   0.7505   12.680   0.9145 1.910000 1.183000 
1 1 1   26    8   17 o   12.110   0.7604   11.270   1.1710   12.960   0.9700 -1.683000 1.521000 
1 1 1   26    8   18 o   12.140   0.7220   11.950   1.0540   12.330   0.9876 -0.3786000 1.444000 
1 1 1   26    8   19 o   20.050   0.5030   20.950   0.6231   19.140   0.7898 1.810000 1.006000 
1 1 1   26    8   20 o   12.680   0.7274   12.960   0.8911   12.400   1.1500 0.5599000 1.455000 
1 1 1   26    8   21 o   5.6540   1.1870   4.7860   1.6870   6.5220   1.6700 -1.735000 2.374000 
1 1 1   26    8   22 o   21.110   0.4052   21.270   0.5524   20.950   0.5929 0.3217000 0.8104000 
1 1 1   26    8   23 o   15.800   0.5061   16.340   0.6657   15.260   0.7625 1.073000 1.012000 
1 1 1   26    8   24 o   4.0980   1.1900   3.6860   1.5890   4.5100   1.7710 -0.8236000 2.380000 
1 1 1   26    8   25 o   6.8480   1.1360   8.3870   1.3340   5.3090   1.8390 3.078000 2.272000 
1 1 1   26    8   26 o   5.2550   1.3750   5.0610   1.8810   5.4480   2.0060 -0.3863000 2.749000 
1 1 1   26    8   27 o   7.2170   1.4050   7.4710   1.9710   6.9630   2.0020 0.5076000 2.809000 
1 1 1   26    8   28 o   4.9320   1.4050   4.8690   2.0200   4.9950   1.9530 -0.1256000 2.809000 
1 1 1   26    8   29 o   3.5830   1.1600   3.9390   1.7330   3.2260   1.5440 0.7124000 2.321000 
1 1 1   26    8   30 o   5.1390   1.4360   5.8560   2.1340   4.4210   1.9230 1.435000 2.872000 
1 1 1   26    8   31 f   3.2480   1.1170   3.3390   1.6090   3.1560   1.5500 0.1836000 2.234000 
1 1 1   26    8   32 o   2.7930   0.9839   2.7480   1.3740   2.8380   1.4090 -0.9025000E-01 1.968000 
1 1 1   26   10    0 o   28.630   0.2719   28.820   0.3837   28.450   0.3853 0.3696000 0.5438000 
1 1 1   26   10    1 o   93.910   0.5989   93.010   0.8384   94.820   0.8554 -1.813000 1.198000 
1 1 1   26   10    2 o   18.700   0.3271   19.250   0.4403   18.140   0.4837 1.110000 0.6541000 
1 1 1   26   10    3 o   40.030   0.3061   40.020   0.4287   40.050   0.4371 -0.3250000E-01 0.6123000 
1 1 1   26   10    4 o   66.030   0.5608   65.570   0.8605   66.490   0.7195 -0.9200000 1.122000 
1 1 1   26   10    5 o   11.160   0.5563   11.460   0.7370   10.860   0.8334 0.6017000 1.113000 
1 1 1   26   10    6 o   35.120   0.3102   35.140   0.4384   35.100   0.4391 0.3887000E-01 0.6205000 
1 1 1   26   10    7 o   40.070   0.3443   40.670   0.5101   39.470   0.4627 1.204000 0.6887000 
1 1 1   26   10    8 f   6.6180   1.0470   4.7140   1.6630   8.5230   1.2720 -3.809000 2.093000 
1 1 1   26   10    9 o   33.280   0.3614   32.930   0.5046   33.630   0.5176 -0.7013000 0.7228000 
1 1 1   26   10   10 o   33.900   0.3671   33.680   0.5109   34.130   0.5273 -0.4494000 0.7342000 
1 1 1   26   10   11 o   8.4850   1.0480   8.2000   1.6390   8.7700   1.3070 -0.5702000 2.096000 
1 1 1   26   10   12 o   28.190   0.4731   27.980   0.7925   28.400   0.5169 -0.4199000 0.9462000 
1 1 1   26   10   13 o   18.410   0.6309   18.160   1.0600   18.660   0.6841 -0.4968000 1.262000 
1 1 1   26   10   14 o   16.690   0.7047   16.210   1.1360   17.170   0.8336 -0.9568000 1.409000 
1 1 1   26   10   15 o   15.120   0.7387   15.150   1.2350   15.100   0.8107 0.4978000E-01 1.477000 
1 1 1   26   10   16 o   17.680   1.1180   16.810   2.1140   18.540   0.7249 -1.730000 2.235000 
1 1 1   26   10   17 o   12.600   0.8037   12.940   1.3220   12.260   0.9143 0.6769000 1.607000 
1 1 1   26   10   18 o   12.690   0.7459   12.730   1.2070   12.660   0.8763 0.7252000E-01 1.492000 
1 1 1   26   10   19 o   18.200   0.6041   18.300   0.9081   18.100   0.7969 0.2041000 1.208000 
1 1 1   26   10   20 o   6.3090   1.2660   5.4380   2.0110   7.1790   1.5380 -1.741000 2.532000 
1 1 1   26   10   21 o   6.8800   1.3030   6.3310   2.0930   7.4280   1.5540 -1.097000 2.607000 
1 1 1   26   10   22 o   8.4800   1.1080   10.020   1.5050   6.9380   1.6270 3.085000 2.217000 
1 1 1   26   10   23 o   11.500   0.8924   12.450   1.3710   10.540   1.1430 1.911000 1.785000 
1 1 1   26   10   24 o   7.4730   1.3050   6.1130   2.2020   8.8320   1.4020 -2.719000 2.610000 
1 1 1   26   10   25 o   5.7450   1.4260   7.8780   2.3190   3.6110   1.6610 4.267000 2.852000 
1 1 1   26   10   26 o   3.8750   1.2480   3.9960   1.8440   3.7540   1.6830 0.2422000 2.496000 
1 1 1   26   10   27 o   4.7240   1.4290   5.0580   2.1290   4.3910   1.9070 0.6675000 2.859000 
1 1 1   26   10   28 o   4.6570   1.4090   5.5730   2.2430   3.7410   1.7070 1.832000 2.819000 
1 1 1   26   10   29 o   4.0600   1.3040   4.0920   1.9050   4.0280   1.7800 0.6373000E-01 2.607000 
1 1 1   26   10   30 o   4.9170   1.5230   4.6480   2.2220   5.1850   2.0830 -0.5373000 3.046000 
1 1 1   26   10   31 o   3.6870   1.2370   3.7260   1.7890   3.6480   1.7090 0.7850000E-01 2.474000 
1 1 1   26   12    0 o   85.560   0.6367   85.830   0.9022   85.290   0.8986 0.5408000 1.273000 
1 1 1   26   12    1 o   51.390   0.4191   50.980   0.5840   51.790   0.6012 -0.8087000 0.8382000 
1 1 1   26   12    2 o   18.450   0.4515   19.330   0.5769   17.560   0.6946 1.775000 0.9029000 
1 1 1   26   12    3 o   20.730   0.3676   21.080   0.4925   20.370   0.5459 0.7164000 0.7352000 
1 1 1   26   12    4 o   8.6200   0.8931   9.9810   0.9654   7.2600   1.5030 2.722000 1.786000 
1 1 1   26   12    5 o   38.240   0.3287   37.960   0.4542   38.510   0.4752 -0.5500000 0.6573000 
1 1 1   26   12    6 o   20.450   0.4359   20.410   0.5838   20.500   0.6474 -0.8994000E-01 0.8718000 
1 1 1   26   12    7 o   14.320   0.5822   13.870   0.7927   14.760   0.8529 -0.8817000 1.164000 
1 1 1   26   12    8 o   36.950   0.3774   37.290   0.5246   36.600   0.5426 0.6956000 0.7547000 
1 1 1   26   12    9 o   41.770   0.3521   42.070   0.4967   41.470   0.4992 0.6010000 0.7043000 
1 1 1   26   12   10 o   12.910   0.6432   12.670   0.9143   13.140   0.9051 -0.4706000 1.286000 
1 1 1   26   12   11 f   10.490   0.7885   10.800   1.0450   10.190   1.1810 0.6107000 1.577000 
1 1 1   26   12   12 o   12.450   0.6558   12.260   0.9063   12.630   0.9479 -0.3625000 1.312000 
1 1 1   26   12   13 o   3.9750   1.2480   4.2040   1.8280   3.7460   1.7000 0.4582000 2.496000 
1 1 1   26   12   14 o   8.0740   1.1420   8.7740   1.4500   7.3740   1.7640 1.400000 2.283000 
1 1 1   26   12   15 o   12.580   0.7502   14.810   0.8714   10.350   1.2210 4.460000 1.500000 
1 1 1   26   12   16 o   12.170   0.6580   12.980   0.8364   11.350   1.0160 1.636000 1.316000 
1 1 1   26   12   17 o   6.7690   1.1530   6.2310   1.6580   7.3080   1.6030 -1.077000 2.306000 
1 1 1   26   12   18 o   12.560   0.7331   12.660   0.9302   12.460   1.1330 0.2011000 1.466000 
1 1 1   26   12   19 o   4.2160   1.1700   3.5300   1.5400   4.9020   1.7630 -1.372000 2.341000 
1 1 1   26   12   20 o   5.8010   1.1630   6.9240   1.5330   4.6780   1.7480 2.246000 2.325000 
1 1 1   26   12   21 o   7.7990   1.0240   6.5210   1.6220   9.0770   1.2510 -2.556000 2.049000 
1 1 1   26   12   22 o   4.0670   1.1460   3.1710   1.4560   4.9640   1.7710 -1.793000 2.293000 
1 1 1   26   12   23 o   6.4340   1.2440   6.6890   1.7150   6.1780   1.8030 0.5110000 2.488000 
1 1 1   26   12   24 o   8.5510   1.1730   8.3050   1.6650   8.7970   1.6520 -0.4923000 2.345000 
1 1 1   26   12   25 o   3.4730   1.1320   3.5970   1.6310   3.3500   1.5720 0.2471000 2.265000 
1 1 1   26   12   26 o   4.8090   1.4040   5.3700   2.0880   4.2490   1.8770 1.121000 2.808000 
1 1 1   26   12   27 o   3.8320   1.2280   3.4630   1.6280   4.2000   1.8400 -0.7370000 2.457000 
1 1 1   26   12   28 o   2.8810   0.9950   3.3560   1.5750   2.4060   1.2170 0.9500000 1.990000 
1 1 1   26   12   29 o   3.2300   1.1110   3.1210   1.5290   3.3390   1.6120 -0.2185000 2.221000 
1 1 1   26   12   30 o   3.1500   1.0780   3.3120   1.5780   2.9880   1.4680 0.3246000 2.155000 
1 1 1   26   12   31 o   2.6060   0.9265   2.4240   1.2300   2.7890   1.3860 -0.3654000 1.853000 
1 1 1   26   14    0 o   19.870   0.4521   19.770   0.6305   19.970   0.6481 -0.2071000 0.9042000 
1 1 1   26   14    1 o   38.500   0.3777   38.600   0.5266   38.410   0.5415 0.1915000 0.7553000 
1 1 1   26   14    2 o   21.860   0.4417   22.080   0.6044   21.650   0.6444 0.4307000 0.8834000 
1 1 1   26   14    3 o   38.490   0.4350   39.340   0.5360   37.650   0.6853 1.698000 0.8700000 
1 1 1   26   14    4 o   21.860   0.4462   22.210   0.5972   21.520   0.6631 0.6866000 0.8924000 
1 1 1   26   14    5 o   18.670   0.4650   18.670   0.6240   18.660   0.6896 0.6346000E-02 0.9300000 
1 1 1   26   14    6 o   50.930   0.4140   51.380   0.5306   50.490   0.6357 0.8873000 0.8280000 
1 1 1   26   14    7 o   29.550   0.3625   29.720   0.4970   29.390   0.5277 0.3364000 0.7249000 
1 1 1   26   14    8 o   20.850   0.4320   20.850   0.6000   20.850   0.6217 0.3292000E-02 0.8640000 
1 1 1   26   14    9 o   27.710   0.3695   27.570   0.5104   27.840   0.5344 -0.2643000 0.7390000 
1 1 1   26   14   10 o   10.150   0.8350   10.400   1.0870   9.9000   1.2680 0.5035000 1.670000 
1 1 1   26   14   11 o   25.900   0.4687   25.980   0.6682   25.810   0.6575 0.1704000 0.9375000 
1 1 1   26   14   12 o   20.560   0.6556   20.410   1.0020   20.700   0.8460 -0.2934000 1.311000 
1 1 1   26   14   13 o   16.310   0.5548   15.990   0.7921   16.620   0.7771 -0.6353000 1.110000 
1 1 1   26   14   14 o   9.2590   0.8676   9.8210   1.0740   8.6970   1.3630 1.124000 1.735000 
1 1 1   26   14   15 o   22.400   0.3884   22.270   0.5312   22.520   0.5668 -0.2570000 0.7768000 
1 1 1   26   14   16 o   9.4790   0.8409   8.7570   1.2240   10.200   1.1530 -1.445000 1.682000 
1 1 1   26   14   17 o   8.9880   1.0770   8.8710   1.4000   9.1060   1.6360 -0.2350000 2.153000 
1 1 1   26   14   18 o   10.740   0.7384   11.110   0.9766   10.360   1.1080 0.7500000 1.477000 
1 1 1   26   14   19 o   5.1230   1.2350   5.5040   1.7050   4.7420   1.7860 0.7628000 2.469000 
1 1 1   26   14   20 o   3.4760   1.1010   3.2570   1.4810   3.6950   1.6290 -0.4380000 2.202000 
1 1 1   26   14   21 o   8.3360   1.0410   9.2860   1.2060   7.3860   1.6970 1.900000 2.082000 
1 1 1   26   14   22 o   6.7450   1.2210   6.8950   1.7240   6.5960   1.7280 0.2990000 2.441000 
1 1 1   26   14   23 o   8.8430   1.1260   7.7950   1.7260   9.8920   1.4460 -2.097000 2.251000 
1 1 1   26   14   24 o   3.6730   1.1640   4.0560   1.7360   3.2910   1.5510 0.7651000 2.328000 
1 1 1   26   14   25 o   5.4380   1.2190   7.4430   1.8090   3.4330   1.6350 4.010000 2.438000 
1 1 1   26   14   26 o   3.1720   1.0920   2.9830   1.4750   3.3620   1.6090 -0.3786000 2.183000 
1 1 1   26   14   27 o   5.0830   1.3810   5.0160   1.9550   5.1510   1.9510 -0.1354000 2.762000 
1 1 1   26   14   28 o   2.5110   0.8991   2.4460   1.2420   2.5760   1.3000 -0.1304000 1.798000 
1 1 1   26   14   29 o   3.2340   1.0770   2.7560   1.3600   3.7110   1.6720 -0.9546000 2.155000 
1 1 1   26   14   30 o   2.8110   0.9885   2.9700   1.4620   2.6520   1.3310 0.3179000 1.977000 
1 1 1   26   16    0 o   11.920   0.6957   10.950   1.0510   12.890   0.9115 -1.941000 1.391000 
1 1 1   26   16    1 o   11.830   0.7131   12.650   0.8964   11.010   1.1090 1.639000 1.426000 
1 1 1   26   16    2 o   36.500   0.3793   35.570   0.4769   37.430   0.5898 -1.855000 0.7585000 
1 1 1   26   16    3 o   46.600   0.3649   46.690   0.5112   46.510   0.5207 0.1791000 0.7298000 
1 1 1   26   16    4 o   10.660   0.7962   10.360   1.1030   10.960   1.1480 -0.5985000 1.592000 
1 1 1   26   16    5 o   8.9900   0.9476   8.3650   1.3450   9.6150   1.3350 -1.250000 1.895000 
1 1 1   26   16    6 o   6.4240   1.1380   8.2310   1.3860   4.6170   1.8040 3.614000 2.275000 
1 1 1   26   16    7 o   16.020   0.5361   15.980   0.7119   16.070   0.8017 -0.9015000E-01 1.072000 
1 1 1   26   16    8 o   17.440   0.5269   18.100   0.7214   16.770   0.7683 1.325000 1.054000 
1 1 1   26   16    9 o   18.490   0.6274   18.860   0.7672   18.120   0.9929 0.7404000 1.255000 
1 1 1   26   16   10 o   18.590   0.7324   18.590   1.1070   18.590   0.9595 0.1156000E-02 1.465000 
1 1 1   26   16   11 o   5.3560   1.2590   5.5630   1.7350   5.1490   1.8230 0.4140000 2.517000 
1 1 1   26   16   12 o   14.190   0.5670   13.260   0.8231   15.120   0.7802 -1.858000 1.134000 
1 1 1   26   16   13 f   19.140   0.4487   18.920   0.6119   19.370   0.6564 -0.4532000 0.8974000 
1 1 1   26   16   14 o   14.460   0.5657   14.240   0.7878   14.670   0.8120 -0.4282000 1.131000 
1 1 1   26   16   15 o   10.660   0.8572   12.340   0.8754   8.9780   1.4740 3.359000 1.714000 
1 1 1   26   16   16 o   14.820   0.6601   15.590   0.8162   14.050   1.0380 1.532000 1.320000 
1 1 1   26   16   17 o   10.800   0.7834   12.140   0.9240   9.4550   1.2650 2.688000 1.567000 
1 1 1   26   16   18 o   6.7300   1.1660   7.5320   1.4650   5.9280   1.8130 1.604000 2.331000 
1 1 1   26   16   19 o   8.3820   1.0440   6.2370   1.7280   10.530   1.1720 -4.290000 2.088000 
1 1 1   26   16   20 o   12.070   0.7279   12.580   0.9389   11.570   1.1130 1.006000 1.456000 
1 1 1   26   16   21 o   6.4280   1.2910   4.9060   1.8550   7.9500   1.7960 -3.044000 2.582000 
1 1 1   26   16   22 o   4.2440   1.2810   4.2490   1.7790   4.2390   1.8440 0.9396000E-02 2.562000 
1 1 1   26   16   23 o   2.9730   1.0120   2.7280   1.3350   3.2170   1.5210 -0.4889000 2.024000 
1 1 1   26   16   24 o   6.9680   1.4360   6.4610   2.0030   7.4750   2.0590 -1.014000 2.873000 
1 1 1   26   16   25 o   3.9240   1.2680   3.9330   1.8100   3.9160   1.7780 0.1706000E-01 2.537000 
1 1 1   26   16   26 o   4.3500   1.3000   3.0590   1.5010   5.6410   2.1240 -2.582000 2.601000 
1 1 1   26   16   27 o   3.8830   1.2630   3.6670   1.7210   4.1000   1.8480 -0.4330000 2.525000 
1 1 1   26   16   28 o   3.0170   1.0250   3.3510   1.5650   2.6830   1.3250 0.6677000 2.050000 
1 1 1   26   16   29 o   2.0340   0.7437   2.0280   1.0420   2.0400   1.0610 -0.1169000E-01 1.487000 
1 1 1   26   18    0 o   44.500   0.3529   44.050   0.4972   44.960   0.5011 -0.9047000 0.7059000 
1 1 1   26   18    1 o   18.550   0.4742   18.920   0.6374   18.170   0.7023 0.7521000 0.9484000 
1 1 1   26   18    2 o   6.7230   1.2090   6.5430   1.6860   6.9040   1.7340 -0.3611000 2.419000 
1 1 1   26   18    3 o   19.570   0.4517   20.090   0.5972   19.060   0.6779 1.031000 0.9034000 
1 1 1   26   18    4 o   3.6490   1.1450   4.2200   1.7520   3.0770   1.4750 1.142000 2.290000 
1 1 1   26   18    5 o   31.370   0.3959   31.130   0.5525   31.600   0.5670 -0.4705000 0.7917000 
1 1 1   26   18    6 o   31.180   0.3976   30.870   0.5486   31.500   0.5756 -0.6245000 0.7951000 
1 1 1   26   18    7 o   36.200   0.5019   36.460   0.7086   35.940   0.7108 0.5187000 1.004000 
1 1 1   26   18    8 o   20.990   0.5257   21.230   0.7141   20.740   0.7718 0.4954000 1.051000 
1 1 1   26   18    9 o   15.860   0.5299   16.660   0.6647   15.050   0.8255 1.607000 1.060000 
1 1 1   26   18   10 o   13.810   0.5955   14.590   0.7735   13.040   0.9057 1.550000 1.191000 
1 1 1   26   18   11 o   10.140   0.7902   10.100   1.0970   10.170   1.1370 -0.7578000E-01 1.580000 
1 1 1   26   18   12 o   16.800   0.4876   16.970   0.6611   16.620   0.7168 0.3568000 0.9751000 
1 1 1   26   18   13 o   5.1120   1.2330   4.6020   1.6940   5.6220   1.7920 -1.020000 2.466000 
1 1 1   26   18   14 o   11.290   0.8501   12.230   1.0070   10.350   1.3700 1.879000 1.700000 
1 1 1   26   18   15 o   10.770   0.8808   10.090   1.2360   11.440   1.2550 -1.354000 1.762000 
1 1 1   26   18   16 o   8.5860   0.9601   8.5890   1.3120   8.5820   1.4020 0.6921000E-02 1.920000 
1 1 1   26   18   17 o   8.6690   1.0230   9.9710   1.1410   7.3670   1.6970 2.605000 2.045000 
1 1 1   26   18   18 o   3.7050   1.1440   3.9580   1.6630   3.4520   1.5720 0.5056000 2.288000 
1 1 1   26   18   19 o   4.0310   1.2220   4.5170   1.8150   3.5460   1.6380 0.9708000 2.445000 
1 1 1   26   18   20 o   6.9840   1.3510   7.2850   1.7870   6.6830   2.0260 0.6012000 2.702000 
1 1 1   26   18   21 o   4.3380   1.2640   3.7160   1.6510   4.9600   1.9160 -1.244000 2.529000 
1 1 1   26   18   22 o   5.0420   1.3390   5.5260   1.9010   4.5580   1.8850 0.9677000 2.677000 
1 1 1   26   18   23 o   5.0490   1.4650   4.8930   2.0420   5.2050   2.1000 -0.3115000 2.929000 
1 1 1   26   18   24 f   3.7430   1.2300   4.2180   1.8830   3.2680   1.5840 0.9495000 2.461000 
1 1 1   26   18   25 o   3.1310   1.0870   3.1140   1.5300   3.1480   1.5450 -0.3312000E-01 2.175000 
1 1 1   26   18   26 o   3.7820   1.1800   4.5670   1.8630   2.9960   1.4490 1.572000 2.360000 
1 1 1   26   18   27 o   2.6010   0.9134   2.7440   1.3500   2.4580   1.2310 0.2861000 1.827000 
1 1 1   26   20    0 o   22.800   0.4117   22.150   0.6152   23.460   0.5473 -1.311000 0.8234000 
1 1 1   26   20    1 o   7.6340   1.0820   8.2530   1.3240   7.0140   1.7120 1.239000 2.164000 
1 1 1   26   20    2 o   16.730   0.5034   15.970   0.6970   17.490   0.7267 -1.519000 1.007000 
1 1 1   26   20    3 o   11.870   0.8336   12.890   1.0390   10.850   1.3040 2.036000 1.667000 
1 1 1   26   20    4 o   9.3350   1.0710   9.5390   1.4040   9.1310   1.6180 0.4085000 2.142000 
1 1 1   26   20    5 o   15.840   0.6341   16.120   0.8511   15.560   0.9401 0.5595000 1.268000 
1 1 1   26   20    6 o   11.070   0.7094   10.840   0.9751   11.310   1.0310 -0.4698000 1.419000 
1 1 1   26   20    7 o   3.9530   1.1440   4.4700   1.6800   3.4360   1.5530 1.035000 2.288000 
1 1 1   26   20    8 f   7.0640   1.1180   7.1440   1.4620   6.9850   1.6900 0.1590000 2.235000 
1 1 1   26   20    9 o   16.580   0.4868   16.550   0.6516   16.610   0.7233 -0.6469000E-01 0.9735000 
1 1 1   26   20   10 o   3.6540   1.1180   3.8510   1.5960   3.4580   1.5660 0.3936000 2.236000 
1 1 1   26   20   11 o   4.5400   1.2240   4.3790   1.6730   4.7010   1.7890 -0.3219000 2.449000 
1 1 1   26   20   12 o   5.2620   1.3550   5.1290   1.8660   5.3950   1.9640 -0.2657000 2.709000 
1 1 1   26   20   13 o   10.780   0.9478   11.690   1.1180   9.8750   1.5310 1.818000 1.896000 
1 1 1   26   20   14 o   16.290   0.5432   16.430   0.7325   16.160   0.8023 0.2726000 1.086000 
1 1 1   26   20   15 o   18.600   0.4948   18.860   0.6737   18.350   0.7248 0.5167000 0.9896000 
1 1 1   26   20   16 o   5.3840   1.3070   5.6160   1.8340   5.1520   1.8630 0.4635000 2.614000 
1 1 1   26   20   17 o   5.4540   1.3310   6.3050   1.8680   4.6020   1.8960 1.703000 2.662000 
1 1 1   26   20   18 o   5.8410   1.3530   4.4630   1.8520   7.2200   1.9740 -2.757000 2.707000 
1 1 1   26   20   19 o   4.2080   1.2490   4.5280   1.8060   3.8880   1.7250 0.6401000 2.497000 
1 1 1   26   20   20 o   4.2920   1.2610   3.4790   1.5920   5.1040   1.9550 -1.625000 2.521000 
1 1 1   26   20   21 o   3.6380   1.1720   3.7230   1.6680   3.5530   1.6460 0.1706000 2.344000 
1 1 1   26   20   22 o   4.6990   1.4010   5.2860   2.0940   4.1120   1.8610 1.174000 2.801000 
1 1 1   26   20   23 o   3.7090   1.2550   3.7740   1.8260   3.6440   1.7230 0.1300000 2.510000 
1 1 1   26   20   24 f   3.5750   1.1900   2.7320   1.3650   4.4180   1.9500 -1.686000 2.381000 
1 1 1   26   20   25 o   3.1670   1.0680   3.1920   1.5130   3.1420   1.5070 0.4956000E-01 2.135000 
1 1 1   26   20   26 f   2.5400   0.8954   2.2810   1.1500   2.8000   1.3730 -0.5192000 1.791000 
1 1 1   26   22    0 o   18.330   0.4961   18.590   0.6167   18.080   0.7773 0.5069000 0.9922000 
1 1 1   26   22    1 o   22.600   0.4208   22.810   0.5294   22.390   0.6542 0.4194000 0.8416000 
1 1 1   26   22    2 o   17.990   0.4665   18.370   0.6115   17.600   0.7047 0.7694000 0.9330000 
1 1 1   26   22    3 o   7.9030   1.0230   7.5940   1.4170   8.2130   1.4760 -0.6192000 2.046000 
1 1 1   26   22    4 o   12.270   0.6515   11.840   0.8948   12.700   0.9471 -0.8541000 1.303000 
1 1 1   26   22    5 o   6.6690   1.1350   7.4850   1.4000   5.8540   1.7850 1.630000 2.269000 
1 1 1   26   22    6 o   6.5720   1.1230   4.7960   1.7130   8.3490   1.4530 -3.553000 2.246000 
1 1 1   26   22    7 o   16.310   0.5098   15.990   0.6928   16.630   0.7480 -0.6400000 1.020000 
1 1 1   26   22    8 o   6.9650   1.1220   8.6510   1.2670   5.2790   1.8530 3.372000 2.244000 
1 1 1   26   22    9 o   4.8070   1.3280   4.4100   1.7540   5.2050   1.9950 -0.7955000 2.657000 
1 1 1   26   22   10 o   8.5020   1.1260   8.9010   1.3530   8.1030   1.8000 0.7982000 2.251000 
1 1 1   26   22   11 o   15.750   0.5651   17.110   0.6887   14.390   0.8961 2.716000 1.130000 
1 1 1   26   22   12 o   9.6060   0.9002   9.4230   1.2290   9.7880   1.3160 -0.3658000 1.800000 
1 1 1   26   22   13 o   8.1540   1.1510   5.9750   1.9210   10.330   1.2690 -4.359000 2.302000 
1 1 1   26   22   14 o   11.170   0.9563   12.490   1.0760   9.8500   1.5820 2.642000 1.913000 
1 1 1   26   22   15 o   4.5880   1.3430   4.6650   1.8750   4.5110   1.9230 0.1548000 2.686000 
1 1 1   26   22   16 o   3.5600   1.1480   3.4360   1.5760   3.6830   1.6700 -0.2472000 2.296000 
1 1 1   26   22   17 f   4.0760   1.1900   5.0540   1.8560   3.0980   1.4910 1.956000 2.381000 
1 1 1   26   22   18 o   6.5660   1.2820   7.8150   1.6610   5.3170   1.9520 2.498000 2.563000 
1 1 1   26   22   19 o   4.9090   1.2280   6.4620   1.8720   3.3560   1.5890 3.107000 2.456000 
1 1 1   26   22   20 o   4.6340   1.3660   4.7180   1.9020   4.5500   1.9600 0.1688000 2.731000 
1 1 1   26   22   21 o   4.8760   1.5380   5.0590   2.2380   4.6940   2.1120 0.3657000 3.077000 
1 1 1   26   22   22 o   3.5460   1.1850   3.0220   1.4780   4.0690   1.8540 -1.047000 2.371000 
1 1 1   26   22   23 o   3.4010   1.1280   3.0780   1.4750   3.7230   1.7080 -0.6454000 2.257000 
1 1 1   26   22   24 o   2.9350   1.0070   3.0540   1.4670   2.8160   1.3810 0.2379000 2.015000 
1 1 1   26   24    0 o   15.440   0.5338   15.010   0.7590   15.860   0.7509 -0.8496000 1.068000 
1 1 1   26   24    1 o   5.7760   0.9868   8.3910   1.2920   3.1610   1.4920 5.230000 1.974000 
1 1 1   26   24    2 o   5.3250   1.3310   5.4860   1.7670   5.1640   1.9930 0.3219000 2.663000 
1 1 1   26   24    3 o   10.470   0.9656   11.470   0.9631   9.4790   1.6740 1.989000 1.931000 
1 1 1   26   24    4 o   6.3230   1.3810   7.0300   1.5650   5.6170   2.2750 1.412000 2.761000 
1 1 1   26   24    5 o   4.8720   1.4260   3.9970   1.7010   5.7480   2.2890 -1.751000 2.852000 
1 1 1   26   24    6 o   8.4250   1.3720   8.0000   1.5820   8.8500   2.2410 -0.8503000 2.743000 
1 1 1   26   24    7 o   5.4340   1.4670   5.2610   1.8520   5.6070   2.2770 -0.3454000 2.935000 
1 1 1   26   24    8 o   6.0150   1.4730   4.2360   1.7170   7.7950   2.3950 -3.559000 2.946000 
1 1 1   26   24    9 o   13.380   1.0110   14.160   0.8386   12.590   1.8400 1.570000 2.022000 
1 1 1   26   24   10 o   5.7490   1.6310   5.6240   1.9230   5.8740   2.6340 -0.2497000 3.261000 
1 1 1   26   24   11 o   4.1740   1.3730   3.9870   1.7290   4.3610   2.1340 -0.3746000 2.746000 
1 1 1   26   24   12 o   10.360   1.5070   13.170   1.0820   7.5580   2.8130 5.611000 3.014000 
1 1 1   26   24   13 o   13.240   1.0160   15.250   0.8241   11.230   1.8570 4.014000 2.032000 
1 1 1   26   24   14 f   5.0260   1.4430   3.6690   1.6320   6.3830   2.3800 -2.714000 2.886000 
1 1 1   26   24   15 o   5.6130   1.5210   5.9360   2.0240   5.2900   2.2700 0.6462000 3.042000 
1 1 1   26   24   16 f   5.4270   1.5180   4.9070   1.8830   5.9460   2.3810 -1.039000 3.036000 
1 1 1   26   24   17 o   3.6690   1.2440   2.3140   1.1700   5.0230   2.1950 -2.709000 2.487000 
1 1 1   26   24   18 o   4.7900   1.4550   4.9510   2.0130   4.6290   2.1020 0.3226000 2.911000 
1 1 1   26   24   19 o   4.2460   1.4580   3.8900   1.8730   4.6030   2.2350 -0.7128000 2.916000 
1 1 1   26   24   20 o   3.4640   1.1500   4.0020   1.7630   2.9260   1.4770 1.076000 2.300000 
1 1 1   26   24   21 o   3.0600   1.0690   2.8410   1.3900   3.2780   1.6240 -0.4366000 2.137000 
1 1 1   26   24   22 o   2.2670   0.8166   2.1680   1.1020   2.3670   1.2060 -0.1992000 1.633000 
1 1 1   26   26    0 o   6.3570   1.3330   5.0490   1.8800   7.6660   1.8890 -2.617000 2.665000 
1 1 1   26   26    1 o   19.920   0.5527   19.780   0.7158   20.070   0.8424 -0.2909000 1.105000 
1 1 1   26   26    2 o   19.970   0.5557   20.510   0.7114   19.420   0.8538 1.089000 1.111000 
1 1 1   26   26    3 o   17.410   0.6250   17.280   0.8316   17.540   0.9332 -0.2620000 1.250000 
1 1 1   26   26    4 o   15.870   0.6687   15.480   0.9273   16.260   0.9637 -0.7736000 1.337000 
1 1 1   26   26    5 o   8.7730   1.2120   10.320   1.3660   7.2240   2.0030 3.099000 2.425000 
1 1 1   26   26    6 o   12.710   0.8065   12.510   1.1090   12.900   1.1710 -0.3898000 1.613000 
1 1 1   26   26    7 o   6.6950   1.3900   6.4930   1.9350   6.8980   1.9960 -0.4054000 2.780000 
1 1 1   26   26    8 o   6.1060   1.2760   6.7970   1.7020   5.4160   1.9030 1.380000 2.553000 
1 1 1   26   26    9 o   7.2160   1.2130   6.4420   1.7670   7.9900   1.6630 -1.548000 2.427000 
1 1 1   26   26   10 o   5.4050   1.2370   6.9150   1.7850   3.8940   1.7120 3.022000 2.473000 
1 1 1   26   26   11 o   3.6770   1.1780   3.6130   1.6420   3.7420   1.6890 -0.1298000 2.355000 
1 1 1   26   26   12 o   7.9640   1.2050   7.5590   1.7480   8.3690   1.6600 -0.8108000 2.411000 
1 1 1   26   26   13 o   7.5980   1.2520   8.6100   1.5600   6.5860   1.9590 2.024000 2.504000 
1 1 1   26   26   14 o   8.4560   1.1980   7.2220   1.8210   9.6890   1.5570 -2.467000 2.395000 
1 1 1   26   26   15 o   4.5150   1.3770   4.8200   2.0030   4.2100   1.8890 0.6100000 2.754000 
1 1 1   26   26   16 o   4.7510   1.4780   5.9140   2.3800   3.5880   1.7540 2.327000 2.956000 
1 1 1   26   26   17 o   3.4720   1.1950   3.8890   1.8530   3.0560   1.5100 0.8335000 2.390000 
1 1 1   26   26   18 o   3.4950   1.1460   3.6300   1.6520   3.3590   1.5880 0.2714000 2.292000 
1 1 1   26   26   19 f   2.3110   0.8269   2.2180   1.1250   2.4030   1.2120 -0.1854000 1.654000 
1 1 1   26   26   20 o   2.7240   0.9562   2.6900   1.3260   2.7570   1.3780 -0.6726000E-01 1.912000 
1 1 1   26   28    0 o   10.350   0.8802   10.990   1.1160   9.7070   1.3610 1.287000 1.760000 
1 1 1   26   28    1 o   6.3060   1.3140   5.8150   1.8280   6.7960   1.8890 -0.9815000 2.628000 
1 1 1   26   28    2 o   13.480   0.6983   13.290   0.9565   13.660   1.0180 -0.3674000 1.397000 
1 1 1   26   28    3 o   4.0350   1.2350   3.6150   1.6270   4.4560   1.8590 -0.8412000 2.470000 
1 1 1   26   28    4 o   4.8880   1.2360   6.2150   1.8520   3.5610   1.6390 2.654000 2.473000 
1 1 1   26   28    5 o   3.6250   1.1610   3.1680   1.4970   4.0830   1.7760 -0.9153000 2.323000 
1 1 1   26   28    6 o   8.7150   1.0960   9.0140   1.4630   8.4160   1.6320 0.5977000 2.192000 
1 1 1   26   28    7 o   5.9730   1.2950   4.7580   1.8480   7.1870   1.8140 -2.429000 2.590000 
1 1 1   26   28    8 o   8.1220   1.1950   7.2200   1.8060   9.0240   1.5640 -1.805000 2.389000 
1 1 1   26   28    9 o   3.9290   1.2220   4.0800   1.7600   3.7780   1.6960 0.3030000 2.444000 
1 1 1   26   28   10 o   2.9510   1.0110   2.7910   1.3700   3.1100   1.4870 -0.3187000 2.022000 
1 1 1   26   28   11 o   5.0380   1.3850   4.0610   1.8100   6.0150   2.0960 -1.954000 2.769000 
1 1 1   26   28   12 o   4.0530   1.2910   3.8820   1.7730   4.2250   1.8780 -0.3435000 2.583000 
1 1 1   26   28   13 o   3.3500   1.1550   3.3810   1.6210   3.3180   1.6460 0.6243000E-01 2.310000 
1 1 1   26   28   14 o   2.6700   0.9487   2.7720   1.3850   2.5680   1.2970 0.2043000 1.897000 
1 1 1   26   28   15 o   4.3290   1.2830   3.4260   1.6740   5.2320   1.9450 -1.806000 2.566000 
1 1 1   26   28   16 o   3.4070   1.1030   4.0840   1.7460   2.7310   1.3470 1.353000 2.205000 
1 1 1   26   28   17 o   2.3600   0.8402   2.4020   1.2050   2.3180   1.1710 0.8376000E-01 1.680000 
1 1 1   26   30    0 o   8.4390   1.1400   7.7780   1.6720   9.1010   1.5500 -1.323000 2.280000 
1 1 1   26   30    1 o   4.8760   1.2610   3.5450   1.6100   6.2060   1.9420 -2.661000 2.523000 
1 1 1   26   30    2 o   8.9990   1.1160   6.6300   1.8730   11.370   1.2150 -4.738000 2.232000 
1 1 1   26   30    3 o   9.1300   1.0720   9.5070   1.4010   8.7530   1.6230 0.7537000 2.144000 
1 1 1   26   30    4 o   5.0230   1.3500   6.2820   2.0660   3.7630   1.7390 2.518000 2.700000 
1 1 1   26   30    5 o   5.3830   1.4550   5.3750   2.0320   5.3910   2.0830 -0.1609000E-01 2.910000 
1 1 1   26   30    6 o   4.6710   1.3800   4.9780   1.9880   4.3640   1.9150 0.6131000 2.760000 
1 1 1   26   30    7 o   5.0740   1.4180   5.5610   2.0480   4.5860   1.9610 0.9756000 2.836000 
1 1 1   26   30    8 o   3.1260   1.0760   3.2430   1.5610   3.0100   1.4810 0.2328000 2.152000 
1 1 1   26   30    9 o   4.7390   1.2910   5.4420   1.9070   4.0360   1.7420 1.406000 2.583000 
1 1 1   26   30   10 o   2.9500   1.0290   3.0690   1.5000   2.8320   1.4090 0.2363000 2.058000 
1 1 1   26   30   11 f   3.1270   1.0750   3.4110   1.6220   2.8430   1.4130 0.5678000 2.151000 
1 1 1   26   30   12 o   2.0960   0.7548   2.0740   1.0560   2.1180   1.0780 -0.4388000E-01 1.510000 
1 1 1   26   30   13 o   2.2620   0.8088   2.4940   1.2420   2.0300   1.0370 0.4645000 1.618000 
1 1 1   26   32    0 o   3.7040   1.1850   3.6850   1.6470   3.7230   1.7050 -0.3816000E-01 2.370000 
1 1 1   26   32    1 o   4.4530   1.2340   3.4460   1.5760   5.4600   1.8990 -2.014000 2.468000 
1 1 1   26   32    2 o   4.1550   1.2370   3.6080   1.6290   4.7020   1.8610 -1.094000 2.473000 
1 1 1   26   32    3 f   2.9770   1.0140   2.8200   1.3750   3.1330   1.4910 -0.3130000 2.029000 
1 1 1   26   32    4 o   4.3000   1.2800   3.4150   1.5700   5.1860   2.0230 -1.772000 2.561000 
1 1 1   26   32    5 o   4.6750   1.3560   3.8210   1.7490   5.5280   2.0720 -1.707000 2.712000 
1 1 1   26   32    6 o   5.7300   1.4660   6.0670   2.0860   5.3920   2.0610 0.6752000 2.933000 
1 1 1   26   32    7 o   2.1250   0.7694   2.1470   1.0970   2.1030   1.0790 0.4425000E-01 1.539000 
1 1 1   26   32    8 o   1.9800   0.7279   2.0020   1.0410   1.9580   1.0180 0.4303000E-01 1.456000 
1 1 1   27    1    0 o   24.330   0.2459   24.050   0.3488   24.610   0.3467 -0.5585000 0.4918000 
1 1 1   27    1    1 o   16.680   0.3326   15.820   0.4024   17.540   0.5296 -1.719000 0.6651000 
1 1 1   27    1    2 o   41.470   0.2827   41.150   0.3977   41.790   0.4019 -0.6352000 0.5655000 
1 1 1   27    1    3 o   57.770   0.3750   57.810   0.5308   57.730   0.5298 0.7980000E-01 0.7500000 
1 1 1   27    1    4 o   37.000   0.2672   36.770   0.3771   37.230   0.3786 -0.4689000 0.5344000 
1 1 1   27    1    5 o   26.740   0.2829   26.560   0.4115   26.930   0.3884 -0.3692000 0.5659000 
1 1 1   27    1    6 f   74.630   0.6797   74.470   0.9591   74.790   0.9632 -0.3176000 1.359000 
1 1 1   27    1    7 o   82.510   0.5280   82.740   0.7488   82.290   0.7447 0.4498000 1.056000 
1 1 1   27    1    8 f   35.300   0.2801   35.260   0.3943   35.330   0.3978 -0.6879000E-01 0.5601000 
1 1 1   27    1    9 o   28.660   0.2799   28.820   0.3942   28.500   0.3974 0.3207000 0.5597000 
1 1 1   27    1   10 o   37.520   0.3035   37.930   0.4302   37.110   0.4281 0.8234000 0.6069000 
1 1 1   27    1   11 o   22.460   0.3359   22.870   0.4707   22.050   0.4792 0.8280000 0.6717000 
1 1 1   27    1   12 o   30.660   0.3176   30.510   0.4464   30.820   0.4519 -0.3103000 0.6352000 
1 1 1   27    1   13 o   51.750   0.3720   51.660   0.5240   51.840   0.5283 -0.1731000 0.7441000 
1 1 1   27    1   14 o   24.520   0.3666   24.500   0.5166   24.550   0.5202 -0.4890000E-01 0.7331000 
1 1 1   27    1   15 o   20.490   0.5452   19.910   0.7849   21.070   0.7568 -1.165000 1.090000 
1 1 1   27    1   16 o   10.160   0.7912   11.510   0.9701   8.8010   1.2500 2.713000 1.582000 
1 1 1   27    1   17 o   25.690   0.3587   25.540   0.5114   25.840   0.5031 -0.3001000 0.7174000 
1 1 1   27    1   18 o   16.430   0.4640   16.320   0.6633   16.530   0.6491 -0.2103000 0.9281000 
1 1 1   27    1   19 o   5.4760   1.1950   5.8360   1.6730   5.1150   1.7060 0.7210000 2.389000 
1 1 1   27    1   20 o   6.0820   1.4070   4.6870   1.9600   7.4760   2.0190 -2.789000 2.814000 
1 1 1   27    1   21 o   15.030   0.5016   14.800   0.7088   15.250   0.7099 -0.4430000 1.003000 
1 1 1   27    1   22 o   2.7370   0.9223   2.5630   1.2420   2.9100   1.3640 -0.3475000 1.845000 
1 1 1   27    1   23 o   11.580   0.6534   12.360   0.8521   10.800   0.9908 1.565000 1.307000 
1 1 1   27    1   24 o   12.250   0.6258   12.260   0.8582   12.240   0.9109 0.2195000E-01 1.252000 
1 1 1   27    1   25 o   4.3560   1.2050   4.4160   1.7120   4.2950   1.6970 0.1206000 2.410000 
1 1 1   27    1   26 f   5.4510   1.2560   5.5310   1.7670   5.3710   1.7860 0.1602000 2.513000 
1 1 1   27    1   27 o   9.5580   1.0200   11.320   1.2150   7.7960   1.6400 3.524000 2.041000 
1 1 1   27    1   28 o   3.9040   1.2720   4.0620   1.8380   3.7460   1.7580 0.3152000 2.544000 
1 1 1   27    1   29 o   3.7570   1.1910   3.6090   1.6390   3.9060   1.7270 -0.2969000 2.381000 
1 1 1   27    1   30 o   4.5950   1.2340   3.2690   1.5350   5.9210   1.9340 -2.652000 2.469000 
1 1 1   27    1   31 o   5.0270   1.3190   6.1580   1.9840   3.8960   1.7390 2.262000 2.638000 
1 1 1   27    1   32 o   2.7070   0.9707   2.5920   1.3200   2.8230   1.4230 -0.2303000 1.941000 
1 1 1   27    1   33 o   1.9590   0.7104   1.9020   0.9773   2.0160   1.0310 -0.1140000 1.421000 
1 1 1   27    3    0 o   68.650   0.4379   68.740   0.6197   68.560   0.6189 0.1797000 0.8758000 
1 1 1   27    3    1 f   23.820   0.3162   23.870   0.3650   23.780   0.5165 0.8994000E-01 0.6324000 
1 1 1   27    3    2 o   25.430   0.2463   25.070   0.3760   25.780   0.3182 -0.7046000 0.4926000 
1 1 1   27    3    3 o   20.550   0.2582   20.690   0.3751   20.420   0.3551 0.2724000 0.5165000 
1 1 1   27    3    4 o   66.020   0.4912   66.380   0.6991   65.660   0.6901 0.7232000 0.9823000 
1 1 1   27    3    5 o   44.750   0.3093   44.810   0.4386   44.680   0.4361 0.1285000 0.6185000 
1 1 1   27    3    6 o   53.850   0.4165   53.960   0.5881   53.740   0.5900 0.2245000 0.8330000 
1 1 1   27    3    7 o   40.080   0.3447   39.710   0.4788   40.450   0.4961 -0.7427000 0.6895000 
1 1 1   27    3    8 f   16.460   0.3405   16.090   0.4901   16.820   0.4729 -0.7334000 0.6810000 
1 1 1   27    3    9 o   9.4110   0.6116   9.3350   0.8798   9.4870   0.8499 -0.1522000 1.223000 
1 1 1   27    3   10 o   37.650   0.3048   37.570   0.4286   37.740   0.4336 -0.1651000 0.6097000 
1 1 1   27    3   11 o   9.5250   0.7271   8.4640   1.1560   10.590   0.8821 -2.122000 1.454000 
1 1 1   27    3   12 o   37.260   0.3211   37.200   0.4536   37.320   0.4547 -0.1216000 0.6423000 
1 1 1   27    3   13 o   40.540   0.3357   40.770   0.4748   40.310   0.4748 0.4595000 0.6715000 
1 1 1   27    3   14 o   6.6050   1.2560   6.5470   1.7360   6.6630   1.8160 -0.1157000 2.512000 
1 1 1   27    3   15 o   11.040   0.8234   10.680   1.2350   11.410   1.0900 -0.7293000 1.647000 
1 1 1   27    3   16 o   15.750   0.5121   15.810   0.7074   15.700   0.7407 0.1118000 1.024000 
1 1 1   27    3   17 o   14.880   0.5276   15.060   0.7222   14.690   0.7692 0.3685000 1.055000 
1 1 1   27    3   18 f   34.370   0.3675   34.100   0.4673   34.650   0.5673 -0.5442000 0.7350000 
1 1 1   27    3   19 o   5.2400   1.2890   6.2230   1.8980   4.2580   1.7450 1.964000 2.579000 
1 1 1   27    3   20 o   20.750   0.4775   21.660   0.5968   19.830   0.7455 1.828000 0.9550000 
1 1 1   27    3   21 o   7.0240   1.0550   7.2550   1.4010   6.7930   1.5780 0.4624000 2.110000 
1 1 1   27    3   22 o   14.100   0.5438   13.430   0.7882   14.770   0.7495 -1.336000 1.088000 
1 1 1   27    3   23 o   5.1770   1.0690   3.1670   1.4480   7.1870   1.5730 -4.020000 2.138000 
1 1 1   27    3   24 o   4.5520   1.2090   4.2380   1.6810   4.8650   1.7390 -0.6264000 2.418000 
1 1 1   27    3   25 o   7.4620   1.0740   7.8970   1.4440   7.0270   1.5890 0.8695000 2.147000 
1 1 1   27    3   26 o   4.7830   1.2560   4.8710   1.7880   4.6940   1.7650 0.1767000 2.513000 
1 1 1   27    3   27 o   4.7570   1.2450   6.2260   1.9440   3.2890   1.5560 2.937000 2.490000 
1 1 1   27    3   28 o   4.3510   1.3260   4.7150   1.9650   3.9880   1.7800 0.7270000 2.651000 
1 1 1   27    3   29 o   4.0200   1.2390   4.3500   1.8310   3.6890   1.6700 0.6611000 2.478000 
1 1 1   27    3   30 o   2.8480   0.9852   3.2090   1.5260   2.4860   1.2470 0.7222000 1.970000 
1 1 1   27    3   31 f   3.3380   1.1400   3.3240   1.6080   3.3520   1.6180 -0.2786000E-01 2.281000 
1 1 1   27    3   32 o   3.0550   1.0620   2.8800   1.4280   3.2300   1.5710 -0.3498000 2.123000 
1 1 1   27    3   33 o   2.2610   0.8208   2.0290   1.0390   2.4940   1.2710 -0.4652000 1.642000 
1 1 1   27    5    0 o   23.820   0.4217   23.160   0.7278   24.480   0.4259 -1.323000 0.8433000 
1 1 1   27    5    1 o   11.310   0.6665   11.460   1.2120   11.150   0.5558 0.3082000 1.333000 
1 1 1   27    5    2 o   17.950   0.3593  ?   ?    17.950   0.3593      ?      ? 
1 1 1   27    5    3 o   41.950   0.2932   41.560   0.4129   42.330   0.4164 -0.7725000 0.5864000 
1 1 1   27    5    4 o   43.250   0.3021   42.990   0.4257   43.500   0.4288 -0.5172000 0.6042000 
1 1 1   27    5    5 o   33.130   0.3492   31.900   0.3722   34.370   0.5911 -2.473000 0.6985000 
1 1 1   27    5    6 o   31.840   0.3217   31.840   0.4469   31.850   0.4629 -0.1302000E-01 0.6435000 
1 1 1   27    5    7 o   37.710   0.3437   37.900   0.4801   37.510   0.4920 0.3859000 0.6874000 
1 1 1   27    5    8 f   22.880   0.2964   22.970   0.4130   22.790   0.4252 0.1811000 0.5927000 
1 1 1   27    5    9 f   11.630   0.5386   10.950   0.8061   12.320   0.7145 -1.373000 1.077000 
1 1 1   27    5   10 o   32.310   0.3043   32.300   0.4305   32.320   0.4300 -0.1726000E-01 0.6085000 
1 1 1   27    5   11 o   24.500   0.3434   24.660   0.4700   24.350   0.5007 0.3095000 0.6868000 
1 1 1   27    5   12 o   7.7700   1.0070   9.1590   1.1390   6.3800   1.6620 2.779000 2.015000 
1 1 1   27    5   13 o   14.600   0.5809   15.350   0.7434   13.860   0.8929 1.481000 1.162000 
1 1 1   27    5   14 o   48.350   0.3936   48.480   0.5178   48.210   0.5930 0.2746000 0.7872000 
1 1 1   27    5   15 o   9.0720   1.0660   8.7070   1.5980   9.4370   1.4110 -0.7300000 2.132000 
1 1 1   27    5   16 o   9.6700   0.8268   10.150   1.0690   9.1940   1.2620 0.9524000 1.654000 
1 1 1   27    5   17 o   6.7260   1.1150   7.5750   1.4240   5.8770   1.7170 1.697000 2.230000 
1 1 1   27    5   18 o   9.8490   0.9255   9.2490   1.4000   10.450   1.2110 -1.201000 1.851000 
1 1 1   27    5   19 o   6.5730   1.2220   5.2800   1.8640   7.8650   1.5800 -2.585000 2.443000 
1 1 1   27    5   20 o   5.2980   1.3010   5.6790   1.7790   4.9160   1.8990 0.7627000 2.602000 
1 1 1   27    5   21 o   10.750   0.6912   11.090   0.9171   10.420   1.0340 0.6647000 1.382000 
1 1 1   27    5   22 o   7.3260   1.0290   7.6400   1.3640   7.0130   1.5410 0.6266000 2.058000 
1 1 1   27    5   23 f   8.2970   0.9410   8.9420   1.1920   7.6520   1.4570 1.289000 1.882000 
1 1 1   27    5   24 o   6.7710   1.1030   5.5960   1.7170   7.9460   1.3840 -2.350000 2.205000 
1 1 1   27    5   25 o   4.1290   1.1540   3.1770   1.4680   5.0810   1.7810 -1.904000 2.308000 
1 1 1   27    5   26 o   8.2120   1.0590   8.9520   1.3570   7.4720   1.6250 1.479000 2.117000 
1 1 1   27    5   27 o   4.0120   1.2480   3.8550   1.7090   4.1680   1.8190 -0.3130000 2.496000 
1 1 1   27    5   28 o   3.5510   1.1760   3.3050   1.5910   3.7970   1.7320 -0.4921000 2.352000 
1 1 1   27    5   29 o   4.3840   1.2770   5.1420   1.9370   3.6270   1.6640 1.515000 2.554000 
1 1 1   27    5   30 o   3.3730   1.1220   3.4630   1.6130   3.2840   1.5610 0.1788000 2.244000 
1 1 1   27    5   31 o   3.4360   1.1640   3.4850   1.6640   3.3880   1.6290 0.9731000E-01 2.329000 
1 1 1   27    5   32 o   3.1490   1.0840   2.9350   1.4500   3.3630   1.6110 -0.4279000 2.168000 
1 1 1   27    7    0 o   46.640   0.4110   45.690   0.6258   47.600   0.5330 -1.915000 0.8221000 
1 1 1   27    7    1 o   98.060   0.6221   98.050   0.8794   98.070   0.8801 -0.1784000E-01 1.244000 
1 1 1   27    7    2 o   12.080   0.5358   12.330   0.9388   11.820   0.5168 0.5111000 1.072000 
1 1 1   27    7    3 o   27.410   0.3460   27.560   0.5923   27.260   0.3578 0.3029000 0.6919000 
1 1 1   27    7    4 f   6.0730   1.1130   6.1560   1.9140   5.9910   1.1350 0.1647000 2.225000 
1 1 1   27    7    5 o   37.900   0.3789   37.820   0.6337   37.980   0.4154 -0.1599000 0.7577000 
1 1 1   27    7    6 o   56.950   0.5020   56.730   0.7791   57.170   0.6333 -0.4438000 1.004000 
1 1 1   27    7    7 o   26.640   0.4216   26.680   0.6694   26.600   0.5128 0.8495000E-01 0.8433000 
1 1 1   27    7    8 o   12.410   0.7324   12.620   1.2720   12.210   0.7257 0.4178000 1.465000 
1 1 1   27    7    9 o   12.300   0.7474   12.580   1.2670   12.020   0.7938 0.5536000 1.495000 
1 1 1   27    7   10 o   15.290   0.6506   16.080   1.0780   14.510   0.7295 1.567000 1.301000 
1 1 1   27    7   11 o   29.440   0.4362   29.310   0.7281   29.560   0.4806 -0.2483000 0.8724000 
1 1 1   27    7   12 o   19.260   0.6659   19.460   1.1430   19.060   0.6832 0.3951000 1.332000 
1 1 1   27    7   13 o   18.960   0.5867   19.490   0.9665   18.420   0.6654 1.069000 1.173000 
1 1 1   27    7   14 f   4.1660   1.2430   4.8860   1.9350   3.4450   1.5590 1.441000 2.485000 
1 1 1   27    7   15 o   15.880   0.6236   15.290   0.9339   16.470   0.8265 -1.183000 1.247000 
1 1 1   27    7   16 o   3.2060   1.0380   3.5070   1.5450   2.9050   1.3850 0.6016000 2.075000 
1 1 1   27    7   17 o   15.570   0.6092   15.990   0.8620   15.150   0.8611 0.8379000 1.218000 
1 1 1   27    7   18 o   3.2670   1.0780   3.3330   1.5530   3.2010   1.4950 0.1327000 2.156000 
1 1 1   27    7   19 o   9.0400   0.9241   8.9270   1.3200   9.1520   1.2940 -0.2253000 1.848000 
1 1 1   27    7   20 o   8.3960   1.0780   8.3680   1.3540   8.4240   1.6770 -0.5595000E-01 2.155000 
1 1 1   27    7   21 o   2.9440   0.9765   2.8390   1.3390   3.0480   1.4220 -0.2089000 1.953000 
1 1 1   27    7   22 o   8.8340   0.8791   9.0950   1.1660   8.5730   1.3160 0.5217000 1.758000 
1 1 1   27    7   23 o   11.560   0.6722   11.440   0.9509   11.690   0.9504 -0.2475000 1.344000 
1 1 1   27    7   24 o   5.0790   1.2330   5.7220   1.7340   4.4370   1.7540 1.284000 2.467000 
1 1 1   27    7   25 o   2.8280   0.9645   2.7630   1.3310   2.8930   1.3960 -0.1294000 1.929000 
1 1 1   27    7   26 o   4.0700   1.2430   3.5300   1.5970   4.6100   1.9050 -1.080000 2.486000 
1 1 1   27    7   27 o   5.4290   1.4270   4.9300   1.9560   5.9290   2.0790 -0.9988000 2.854000 
1 1 1   27    7   28 o   3.0910   1.0790   3.3810   1.6430   2.8000   1.3980 0.5809000 2.157000 
1 1 1   27    7   29 o   6.9010   1.3590   7.3240   1.8700   6.4790   1.9720 0.8453000 2.718000 
1 1 1   27    7   30 o   4.9320   1.4210   5.6130   2.1280   4.2500   1.8830 1.363000 2.841000 
1 1 1   27    7   31 o   2.7660   0.9903   2.7780   1.4070   2.7530   1.3940 0.2520000E-01 1.981000 
1 1 1   27    7   32 o   2.8730   1.0070   2.7420   1.3700   3.0040   1.4770 -0.2613000 2.015000 
1 1 1   27    9    0 o   40.320   0.2935   40.790   0.4162   39.850   0.4138 0.9446000 0.5869000 
1 1 1   27    9    1 o   9.2200   0.5774   9.5990   0.7593   8.8400   0.8700 0.7592000 1.155000 
1 1 1   27    9    2 o   22.320   0.3061   22.290   0.4250   22.350   0.4405 -0.5901000E-01 0.6121000 
1 1 1   27    9    3 o   12.120   0.4369   12.120   0.5937   12.120   0.6411 0.4815000E-02 0.8738000 
1 1 1   27    9    4 o   15.280   0.4203   14.770   0.6440   15.790   0.5403 -1.028000 0.8406000 
1 1 1   27    9    5 o   59.180   0.4631   59.090   0.6529   59.260   0.6568 -0.1648000 0.9261000 
1 1 1   27    9    6 o   33.330   0.3337   32.750   0.4244   33.910   0.5149 -1.157000 0.6673000 
1 1 1   27    9    7 o   34.590   0.3321   35.200   0.4358   33.980   0.5012 1.220000 0.6641000 
1 1 1   27    9    8 o   14.950   0.4769   14.710   0.6629   15.200   0.6859 -0.4919000 0.9539000 
1 1 1   27    9    9 o   37.470   0.3256   37.310   0.4551   37.630   0.4657 -0.3176000 0.6512000 
1 1 1   27    9   10 o   29.750   0.3696   29.280   0.5106   30.210   0.5346 -0.9302000 0.7393000 
1 1 1   27    9   11 o   7.6100   1.1190   8.5890   1.3980   6.6300   1.7490 1.959000 2.239000 
1 1 1   27    9   12 o   19.220   0.4508   18.290   0.6554   20.140   0.6191 -1.846000 0.9016000 
1 1 1   27    9   13 o   14.420   0.6284   13.900   0.9554   14.930   0.8164 -1.036000 1.257000 
1 1 1   27    9   14 o   16.750   0.6992   16.800   1.1300   16.700   0.8234 0.1064000 1.398000 
1 1 1   27    9   15 o   15.820   0.6534   15.670   1.0820   15.980   0.7325 -0.3073000 1.307000 
1 1 1   27    9   16 o   5.4070   1.6740   6.9040   2.8980   3.9090   1.6780 2.994000 3.349000 
1 1 1   27    9   17 o   5.9750   1.7030   8.7300   3.0590   3.2190   1.4980 5.511000 3.407000 
1 1 1   27    9   18 o   4.3180   1.2780   5.3060   2.0670   3.3300   1.5030 1.976000 2.556000 
1 1 1   27    9   19 o   11.060   0.9742   10.760   1.5030   11.360   1.2400 -0.6065000 1.948000 
1 1 1   27    9   20 o   5.3380   1.3340   5.0680   2.0220   5.6080   1.7420 -0.5405000 2.669000 
1 1 1   27    9   21 o   6.1160   1.3380   6.3350   2.0470   5.8980   1.7230 0.4375000 2.676000 
1 1 1   27    9   22 o   5.9020   1.2320   4.6360   1.9000   7.1670   1.5680 -2.531000 2.463000 
1 1 1   27    9   23 o   5.0260   1.3480   5.0720   2.0110   4.9800   1.7970 0.9259000E-01 2.697000 
1 1 1   27    9   24 o   5.9410   1.3870   6.9840   2.1150   4.8970   1.7970 2.087000 2.775000 
1 1 1   27    9   25 o   4.3250   1.3570   4.4390   2.0250   4.2120   1.8060 0.2273000 2.713000 
1 1 1   27    9   26 o   5.0310   1.4600   4.7870   2.1250   5.2760   2.0020 -0.4891000 2.919000 
1 1 1   27    9   27 o   3.9480   1.2730   3.5010   1.6890   4.3950   1.9050 -0.8937000 2.546000 
1 1 1   27    9   28 o   5.6540   1.4670   4.9330   2.1330   6.3750   2.0140 -1.442000 2.933000 
1 1 1   27    9   29 o   3.6630   1.2160   3.6410   1.7550   3.6850   1.6850 -0.4479000E-01 2.433000 
1 1 1   27    9   30 o   3.3820   1.1790   3.3510   1.7010   3.4130   1.6340 -0.6136000E-01 2.358000 
1 1 1   27    9   31 o   3.5820   1.2100   3.7010   1.7740   3.4620   1.6470 0.2390000 2.420000 
1 1 1   27   11    0 o   35.060   0.3459   34.680   0.4705   35.450   0.5072 -0.7610000 0.6918000 
1 1 1   27   11    1 o   52.640   0.3645   53.020   0.5164   52.270   0.5146 0.7529000 0.7290000 
1 1 1   27   11    2 o   52.920   0.4250   52.900   0.5969   52.950   0.6050 -0.5188000E-01 0.8499000 
1 1 1   27   11    3 o   62.790   0.4869   60.940   0.6686   64.640   0.7079 -3.700000 0.9737000 
1 1 1   27   11    4 o   37.430   0.3158   37.850   0.4373   37.000   0.4557 0.8549000 0.6316000 
1 1 1   27   11    5 o   16.390   0.4365   16.300   0.5893   16.470   0.6441 -0.1692000 0.8730000 
1 1 1   27   11    6 o   35.910   0.3225   35.530   0.4468   36.280   0.4651 -0.7537000 0.6449000 
1 1 1   27   11    7 o   25.200   0.4401   25.280   0.6921   25.110   0.5438 0.1730000 0.8802000 
1 1 1   27   11    8 f   27.830   0.3772   27.560   0.5167   28.090   0.5497 -0.5267000 0.7544000 
1 1 1   27   11    9 o   6.5580   1.1890   4.9130   1.8040   8.2030   1.5500 -3.290000 2.378000 
1 1 1   27   11   10 o   23.820   0.3873   24.010   0.5340   23.640   0.5611 0.3717000 0.7746000 
1 1 1   27   11   11 o   37.290   0.3455   37.220   0.4813   37.360   0.4960 -0.1408000 0.6911000 
1 1 1   27   11   12 o   18.530   0.4587   18.860   0.6194   18.200   0.6769 0.6541000 0.9175000 
1 1 1   27   11   13 o   5.5610   1.2940   7.2520   1.9350   3.8700   1.7180 3.383000 2.588000 
1 1 1   27   11   14 f   10.030   1.0010   10.180   1.4470   9.8740   1.3840 0.3049000 2.003000 
1 1 1   27   11   15 o   16.470   0.5528   16.300   0.7892   16.650   0.7742 -0.3497000 1.106000 
1 1 1   27   11   16 o   7.3490   1.0860   6.8020   1.5780   7.8960   1.4920 -1.094000 2.172000 
1 1 1   27   11   17 o   4.5520   1.1520   5.4770   1.6710   3.6270   1.5860 1.850000 2.304000 
1 1 1   27   11   18 o   13.010   0.6998   13.290   0.8759   12.720   1.0920 0.5720000 1.400000 
1 1 1   27   11   19 o   15.980   0.5837   15.810   0.7557   16.150   0.8898 -0.3347000 1.167000 
1 1 1   27   11   20 o   7.1880   1.0340   5.3140   1.6720   9.0630   1.2150 -3.749000 2.067000 
1 1 1   27   11   21 o   3.8900   1.1380   4.2250   1.6550   3.5550   1.5620 0.6697000 2.276000 
1 1 1   27   11   22 o   3.3730   1.0700   3.6900   1.5850   3.0560   1.4390 0.6338000 2.141000 
1 1 1   27   11   23 o   4.5570   1.2020   5.4340   1.7730   3.6800   1.6220 1.754000 2.403000 
1 1 1   27   11   24 o   12.360   0.8060   13.550   0.9815   11.170   1.2790 2.377000 1.612000 
1 1 1   27   11   25 o   5.8450   1.3730   4.7730   1.8890   6.9160   1.9940 -2.143000 2.747000 
1 1 1   27   11   26 o   10.870   1.0510   10.900   1.5100   10.850   1.4620 0.4475000E-01 2.102000 
1 1 1   27   11   27 o   4.7560   1.3670   3.6350   1.6990   5.8760   2.1440 -2.242000 2.735000 
1 1 1   27   11   28 f   4.7010   1.2500   6.1480   1.9580   3.2550   1.5560 2.893000 2.501000 
1 1 1   27   11   29 o   4.9510   1.4240   5.5730   2.0950   4.3290   1.9280 1.245000 2.847000 
1 1 1   27   11   30 o   3.1360   1.0630   2.8140   1.3900   3.4580   1.6090 -0.6434000 2.126000 
1 1 1   27   11   31 f   3.3660   1.1600   3.5610   1.7360   3.1700   1.5390 0.3910000 2.320000 
1 1 1   27   13    0 o   40.640   0.4354   40.590   0.5255   40.680   0.6943 -0.8939000E-01 0.8707000 
1 1 1   27   13    1 o   59.450   0.4710   58.690   0.6542   60.210   0.6778 -1.521000 0.9420000 
1 1 1   27   13    2 o   43.920   0.3430   43.980   0.4793   43.850   0.4908 0.1314000 0.6860000 
1 1 1   27   13    3 o   15.730   0.5441   15.730   0.7343   15.730   0.8031 0.4120000E-03 1.088000 
1 1 1   27   13    4 f   48.560   0.4141   48.530   0.5786   48.600   0.5925 -0.7217000E-01 0.8281000 
1 1 1   27   13    5 o   59.220   0.4711   58.630   0.6569   59.810   0.6755 -1.177000 0.9422000 
1 1 1   27   13    6 o   65.780   0.5118   65.930   0.7216   65.630   0.7260 0.2954000 1.024000 
1 1 1   27   13    7 o   39.640   0.3511   38.980   0.4906   40.310   0.5025 -1.332000 0.7023000 
1 1 1   27   13    8 o   14.400   0.5915   14.850   0.7722   13.960   0.8963 0.8864000 1.183000 
1 1 1   27   13    9 o   19.430   0.4562   19.240   0.6276   19.620   0.6623 -0.3789000 0.9124000 
1 1 1   27   13   10 o   16.350   0.5218   16.700   0.6984   15.990   0.7755 0.7120000 1.044000 
1 1 1   27   13   11 o   10.670   0.7702   10.500   1.0660   10.840   1.1120 -0.3438000 1.540000 
1 1 1   27   13   12 o   3.6910   1.1940   3.4420   1.6190   3.9390   1.7540 -0.4964000 2.387000 
1 1 1   27   13   13 o   24.010   0.5459   23.780   0.8852   24.240   0.6391 -0.4588000 1.092000 
1 1 1   27   13   14 o   18.690   0.5048   19.510   0.6819   17.870   0.7446 1.631000 1.010000 
1 1 1   27   13   15 o   6.2010   1.1930   5.9860   1.6580   6.4160   1.7170 -0.4302000 2.387000 
1 1 1   27   13   16 o   10.320   0.7565   10.010   1.0670   10.630   1.0730 -0.6171000 1.513000 
1 1 1   27   13   17 o   4.9720   1.2530   6.0180   1.7940   3.9250   1.7490 2.093000 2.506000 
1 1 1   27   13   18 o   15.490   0.6944   16.290   0.7722   14.700   1.1540 1.590000 1.389000 
1 1 1   27   13   19 o   7.9630   1.0260   9.1970   1.1490   6.7300   1.6990 2.467000 2.051000 
1 1 1   27   13   20 o   7.1060   1.0770   9.0180   1.2110   5.1950   1.7810 3.822000 2.153000 
1 1 1   27   13   21 o   3.5690   1.1110   3.8730   1.6270   3.2640   1.5140 0.6095000 2.223000 
1 1 1   27   13   22 o   4.2180   1.1840   3.2700   1.5020   5.1660   1.8300 -1.896000 2.368000 
1 1 1   27   13   23 o   8.4760   1.1590   10.110   1.3330   6.8450   1.8970 3.262000 2.318000 
1 1 1   27   13   24 o   5.4970   1.2740   7.1200   1.8370   3.8750   1.7660 3.245000 2.548000 
1 1 1   27   13   25 o   5.5860   1.3520   6.1840   1.8880   4.9870   1.9360 1.197000 2.705000 
1 1 1   27   13   26 o   5.3330   1.4410   4.5220   1.9310   6.1440   2.1400 -1.621000 2.882000 
1 1 1   27   13   27 o   4.0480   1.2230   4.8030   1.8750   3.2930   1.5730 1.510000 2.447000 
1 1 1   27   13   28 o   3.6150   1.2120   3.9030   1.8080   3.3280   1.6130 0.5746000 2.423000 
1 1 1   27   13   29 o   2.4040   0.8565   2.5380   1.2700   2.2690   1.1490 0.2685000 1.713000 
1 1 1   27   13   30 o   3.1940   1.0940   3.3800   1.6120   3.0070   1.4800 0.3730000 2.188000 
1 1 1   27   15    0 o   39.500   0.3383   39.590   0.4739   39.400   0.4829 0.1878000 0.6766000 
1 1 1   27   15    1 o   4.3090   1.2110   3.7650   1.6160   4.8540   1.8030 -1.090000 2.421000 
1 1 1   27   15    2 o   38.110   0.3418   38.400   0.4761   37.830   0.4904 0.5733000 0.6835000 
1 1 1   27   15    3 o   27.280   0.3656   27.410   0.4965   27.150   0.5369 0.2636000 0.7313000 
1 1 1   27   15    4 o   6.6780   1.1790   5.5510   1.7460   7.8040   1.5840 -2.253000 2.358000 
1 1 1   27   15    5 o   17.260   0.5043   17.520   0.6623   16.990   0.7608 0.5237000 1.009000 
1 1 1   27   15    6 o   14.080   0.6028   14.090   0.7990   14.060   0.9029 0.3027000E-01 1.206000 
1 1 1   27   15    7 o   18.500   0.4686   18.130   0.6379   18.870   0.6866 -0.7474000 0.9373000 
1 1 1   27   15    8 o   16.060   0.5458   17.210   0.6898   14.900   0.8460 2.308000 1.092000 
1 1 1   27   15    9 o   7.4560   1.1210   6.8410   1.6290   8.0700   1.5410 -1.230000 2.242000 
1 1 1   27   15   10 o   22.410   0.6430   22.860   0.9735   21.970   0.8403 0.8832000 1.286000 
1 1 1   27   15   11 o   14.250   0.9096   13.700   1.3960   14.800   1.1660 -1.098000 1.819000 
1 1 1   27   15   12 o   18.380   0.4653   18.330   0.6460   18.420   0.6700 -0.9901000E-01 0.9307000 
1 1 1   27   15   13 o   12.680   0.6304   12.430   0.8693   12.930   0.9132 -0.4929000 1.261000 
1 1 1   27   15   14 o   12.220   0.6449   12.280   0.8856   12.160   0.9378 0.1167000 1.290000 
1 1 1   27   15   15 o   4.0820   1.1840   4.0090   1.6510   4.1560   1.6970 -0.1464000 2.368000 
1 1 1   27   15   16 o   13.330   0.7376   14.010   0.8868   12.650   1.1790 1.356000 1.475000 
1 1 1   27   15   17 o   11.820   0.8409   12.930   0.9677   10.720   1.3760 2.207000 1.682000 
1 1 1   27   15   18 o   6.4890   1.1930   6.6050   1.6250   6.3730   1.7480 0.2316000 2.387000 
1 1 1   27   15   19 o   5.4090   1.1120   7.2310   1.5460   3.5870   1.6000 3.645000 2.225000 
1 1 1   27   15   20 o   10.030   0.8720   10.750   1.0720   9.3030   1.3760 1.450000 1.744000 
1 1 1   27   15   21 o   3.8510   1.1760   3.9850   1.6820   3.7170   1.6440 0.2676000 2.352000 
1 1 1   27   15   22 o   5.6590   1.3370   4.6520   1.8350   6.6660   1.9440 -2.014000 2.673000 
1 1 1   27   15   23 o   8.2260   1.1610   7.6810   1.6550   8.7700   1.6290 -1.090000 2.322000 
1 1 1   27   15   24 o   4.3450   1.2790   4.4250   1.8070   4.2650   1.8110 0.1600000 2.559000 
1 1 1   27   15   25 o   4.7890   1.4060   5.2150   2.0810   4.3630   1.8910 0.8514000 2.812000 
1 1 1   27   15   26 o   5.0420   1.4010   4.0910   1.7820   5.9920   2.1610 -1.901000 2.801000 
1 1 1   27   15   27 o   3.4050   1.1530   3.5200   1.6750   3.2900   1.5860 0.2302000 2.307000 
1 1 1   27   15   28 o   3.8560   1.2140   3.6580   1.6690   4.0540   1.7640 -0.3966000 2.428000 
1 1 1   27   15   29 o   2.7980   0.9842   2.9690   1.4600   2.6280   1.3210 0.3404000 1.968000 
1 1 1   27   17    0 o   24.650   0.3753   24.560   0.5305   24.740   0.5310 -0.1808000 0.7506000 
1 1 1   27   17    1 o   18.280   0.4755   18.730   0.6373   17.840   0.7060 0.8935000 0.9511000 
1 1 1   27   17    2 o   37.990   0.3424   37.940   0.4751   38.030   0.4932 -0.9025000E-01 0.6848000 
1 1 1   27   17    3 o   8.5510   0.9960   8.7720   1.3060   8.3310   1.5040 0.4414000 1.992000 
1 1 1   27   17    4 o   14.630   0.5737   14.490   0.7709   14.760   0.8497 -0.2718000 1.147000 
1 1 1   27   17    5 o   15.510   0.5437   15.210   0.7403   15.820   0.7964 -0.6114000 1.087000 
1 1 1   27   17    6 o   5.2660   1.3250   5.2430   1.8310   5.2900   1.9170 -0.4709000E-01 2.651000 
1 1 1   27   17    7 o   13.790   0.6771   13.990   0.8958   13.580   1.0160 0.4120000 1.354000 
1 1 1   27   17    8 o   18.070   0.7070   17.180   1.0430   18.950   0.9550 -1.768000 1.414000 
1 1 1   27   17    9 o   14.380   0.7484   15.380   1.0190   13.380   1.0960 2.006000 1.497000 
1 1 1   27   17   10 o   16.660   0.5086   16.050   0.7265   17.260   0.7119 -1.217000 1.017000 
1 1 1   27   17   11 o   11.470   0.6933   11.850   0.9090   11.080   1.0470 0.7672000 1.387000 
1 1 1   27   17   12 f   10.010   0.7978   9.3950   1.1750   10.620   1.0790 -1.229000 1.596000 
1 1 1   27   17   13 o   13.190   0.6123   13.600   0.8034   12.790   0.9242 0.8041000 1.225000 
1 1 1   27   17   14 o   4.1910   1.1850   4.4350   1.6980   3.9470   1.6530 0.4876000 2.370000 
1 1 1   27   17   15 o   3.8000   1.1890   3.8880   1.6730   3.7110   1.6890 0.1773000 2.377000 
1 1 1   27   17   16 o   12.580   0.6542   13.390   0.8233   11.760   1.0170 1.629000 1.308000 
1 1 1   27   17   17 o   3.9210   1.1430   4.6060   1.7200   3.2360   1.5050 1.370000 2.285000 
1 1 1   27   17   18 o   13.200   0.6315   12.920   0.8731   13.480   0.9126 -0.5552000 1.263000 
1 1 1   27   17   19 o   3.1820   1.0520   3.4380   1.5600   2.9260   1.4120 0.5120000 2.105000 
1 1 1   27   17   20 o   4.2280   1.2590   4.6580   1.8350   3.7980   1.7250 0.8603000 2.518000 
1 1 1   27   17   21 o   4.8270   1.3490   5.0830   1.8980   4.5710   1.9190 0.5121000 2.699000 
1 1 1   27   17   22 o   5.6090   1.3280   6.3360   1.8480   4.8830   1.9070 1.453000 2.656000 
1 1 1   27   17   23 o   3.9660   1.1990   4.8000   1.8610   3.1320   1.5110 1.668000 2.397000 
1 1 1   27   17   24 o   5.9480   1.4850   5.4050   2.1110   6.4910   2.0900 -1.086000 2.970000 
1 1 1   27   17   25 o   4.8540   1.3850   5.9300   2.1350   3.7770   1.7640 2.153000 2.769000 
1 1 1   27   17   26 o   4.7540   1.4120   4.4970   1.9420   5.0100   2.0510 -0.5137000 2.824000 
1 1 1   27   17   27 o   2.9780   1.0180   2.5200   1.2580   3.4350   1.6020 -0.9158000 2.037000 
1 1 1   27   17   28 o   2.5100   0.8966   2.6170   1.3130   2.4030   1.2220 0.2138000 1.793000 
1 1 1   27   19    0 o   21.990   0.4521   21.670   0.6296   22.310   0.6490 -0.6484000 0.9042000 
1 1 1   27   19    1 o   10.200   0.8924   10.280   1.2040   10.120   1.3180 0.1648000 1.785000 
1 1 1   27   19    2 f   7.2690   1.2220   7.7770   1.5960   6.7600   1.8510 1.018000 2.444000 
1 1 1   27   19    3 o   21.510   0.4523   20.800   0.6314   22.230   0.6480 -1.432000 0.9047000 
1 1 1   27   19    4 o   13.840   0.6042   12.890   0.8647   14.790   0.8442 -1.898000 1.208000 
1 1 1   27   19    5 o   11.180   0.9104   10.740   1.2850   11.620   1.2900 -0.8813000 1.821000 
1 1 1   27   19    6 o   19.670   0.5452   20.150   0.7278   19.190   0.8119 0.9580000 1.090000 
1 1 1   27   19    7 o   5.7200   1.3870   6.2430   1.9360   5.1970   1.9880 1.046000 2.775000 
1 1 1   27   19    8 o   12.270   0.6528   12.850   0.8307   11.700   1.0070 1.145000 1.306000 
1 1 1   27   19    9 o   24.500   0.3763   25.040   0.5046   23.970   0.5582 1.064000 0.7525000 
1 1 1   27   19   10 o   4.1790   1.1900   3.9160   1.6110   4.4420   1.7520 -0.5260000 2.380000 
1 1 1   27   19   11 o   11.440   0.7029   11.630   0.9228   11.260   1.0600 0.3752000 1.406000 
1 1 1   27   19   12 o   11.200   0.7220   11.000   0.9941   11.390   1.0470 -0.3883000 1.444000 
1 1 1   27   19   13 o   8.3940   1.1530   8.7930   1.4480   7.9950   1.7930 0.7985000 2.305000 
1 1 1   27   19   14 o   4.5930   1.3050   4.9150   1.8490   4.2710   1.8410 0.6440000 2.609000 
1 1 1   27   19   15 o   17.350   0.5117   17.750   0.6811   16.940   0.7637 0.8115000 1.023000 
1 1 1   27   19   16 o   5.7400   1.2960   5.5720   1.7960   5.9090   1.8680 -0.3366000 2.592000 
1 1 1   27   19   17 o   3.6630   1.1320   4.2320   1.7240   3.0950   1.4690 1.137000 2.265000 
1 1 1   27   19   18 o   10.670   0.9397   10.790   1.2600   10.550   1.3940 0.2406000 1.879000 
1 1 1   27   19   19 o   8.7000   1.1900   8.6510   1.5930   8.7480   1.7680 -0.9668000E-01 2.380000 
1 1 1   27   19   20 o   2.8080   0.9709   2.8650   1.3910   2.7500   1.3550 0.1151000 1.942000 
1 1 1   27   19   21 o   3.2180   1.0770   3.2620   1.5290   3.1740   1.5180 0.8845000E-01 2.154000 
1 1 1   27   19   22 o   4.4390   1.3050   4.7590   1.8800   4.1190   1.8100 0.6395000 2.610000 
1 1 1   27   19   23 o   3.5590   1.1980   3.2930   1.6010   3.8260   1.7840 -0.5323000 2.397000 
1 1 1   27   19   24 o   3.5190   1.1860   3.5030   1.6620   3.5350   1.6920 -0.3248000E-01 2.372000 
1 1 1   27   19   25 f   3.0080   1.0290   3.0660   1.4710   2.9500   1.4380 0.1161000 2.057000 
1 1 1   27   19   26 o   2.2830   0.8171   2.1160   1.0780   2.4500   1.2280 -0.3339000 1.634000 
1 1 1   27   19   27 o   2.2160   1.1500  ?   ?    2.2160   1.1500      ?      ? 
1 1 1   27   21    0 o   22.050   0.5262   22.660   0.6349   21.440   0.8392 1.213000 1.052000 
1 1 1   27   21    1 o   16.550   0.7321   16.750   0.8022   16.360   1.2250 0.3866000 1.464000 
1 1 1   27   21    2 o   15.860   0.6320   15.380   0.8729   16.330   0.9143 -0.9457000 1.264000 
1 1 1   27   21    3 o   10.340   0.9344   9.8340   1.3560   10.850   1.2860 -1.015000 1.869000 
1 1 1   27   21    4 o   14.780   0.5318   13.960   0.7528   15.600   0.7514 -1.644000 1.064000 
1 1 1   27   21    5 o   6.9040   1.0980   8.1640   1.2890   5.6450   1.7770 2.520000 2.195000 
1 1 1   27   21    6 o   6.7050   1.1290   7.6610   1.3860   5.7490   1.7840 1.912000 2.259000 
1 1 1   27   21    7 o   5.0690   1.2210   4.0750   1.6450   6.0640   1.8050 -1.989000 2.442000 
1 1 1   27   21    8 o   10.200   0.7768   9.9870   1.0410   10.410   1.1530 -0.4197000 1.554000 
1 1 1   27   21    9 o   11.300   0.6987   11.290   0.9252   11.310   1.0470 -0.1838000E-01 1.397000 
1 1 1   27   21   10 o   4.0390   1.1180   5.0600   1.7150   3.0190   1.4360 2.041000 2.237000 
1 1 1   27   21   11 o   5.1910   1.3430   4.7740   1.7840   5.6080   2.0070 -0.8339000 2.685000 
1 1 1   27   21   12 f   11.270   0.9356   10.890   1.3600   11.650   1.2860 -0.7611000 1.871000 
1 1 1   27   21   13 o   3.1960   1.0550   2.7990   1.3480   3.5920   1.6230 -0.7937000 2.109000 
1 1 1   27   21   14 o   11.890   0.7483   11.820   1.0200   11.960   1.0950 -0.1338000 1.497000 
1 1 1   27   21   15 o   9.2500   1.1080   9.5360   1.4310   8.9640   1.6930 0.5718000 2.217000 
1 1 1   27   21   16 o   5.5660   1.3970   5.5050   1.9320   5.6270   2.0200 -0.1221000 2.795000 
1 1 1   27   21   17 o   5.5230   1.3490   5.2750   1.8510   5.7710   1.9620 -0.4961000 2.698000 
1 1 1   27   21   18 o   11.880   0.8074   12.350   1.0520   11.410   1.2250 0.9422000 1.615000 
1 1 1   27   21   19 o   5.4090   1.1680   7.5860   1.7480   3.2330   1.5510 4.352000 2.336000 
1 1 1   27   21   20 o   7.0500   1.3060   5.6410   1.9470   8.4580   1.7430 -2.817000 2.613000 
1 1 1   27   21   21 o   3.7570   1.2470   3.7440   1.7640   3.7690   1.7620 -0.2515000E-01 2.494000 
1 1 1   27   21   22 o   3.4860   1.2120   3.4260   1.6930   3.5460   1.7350 -0.1206000 2.425000 
1 1 1   27   21   23 o   3.3030   1.1020   2.8940   1.4120   3.7120   1.6920 -0.8186000 2.203000 
1 1 1   27   21   24 o   2.4220   0.8615   2.3650   1.1910   2.4790   1.2450 -0.1148000 1.723000 
1 1 1   27   21   25 o   2.7480   0.9529   3.0770   1.4680   2.4200   1.2150 0.6570000 1.906000 
1 1 1   27   23    0 o   14.260   0.5590   14.590   0.7505   13.930   0.8286 0.6649000 1.118000 
1 1 1   27   23    1 o   14.970   0.5582   15.390   0.7216   14.560   0.8518 0.8353000 1.116000 
1 1 1   27   23    2 o   11.600   0.7172   11.850   0.9161   11.340   1.1040 0.5088000 1.434000 
1 1 1   27   23    3 o   12.170   0.7657   12.090   0.8983   12.240   1.2400 -0.1515000 1.531000 
1 1 1   27   23    4 o   4.1550   1.2850   3.9770   1.6360   4.3320   1.9810 -0.3552000 2.569000 
1 1 1   27   23    5 o   3.9680   1.2560   3.7080   1.5800   4.2290   1.9520 -0.5209000 2.511000 
1 1 1   27   23    6 o   7.3150   1.4200   6.8610   1.5850   7.7700   2.3560 -0.9093000 2.839000 
1 1 1   27   23    7 f   9.2960   1.2840   9.7580   1.1400   8.8350   2.3010 0.9234000 2.568000 
1 1 1   27   23    8 o   9.3710   1.3380   10.270   1.2570   8.4760   2.3630 1.789000 2.676000 
1 1 1   27   23    9 o   7.6440   1.4690   7.4490   1.6740   7.8390   2.4140 -0.3895000 2.938000 
1 1 1   27   23   10 o   10.720   1.1990   11.100   1.0230   10.340   2.1700 0.7573000 2.399000 
1 1 1   27   23   11 o   9.0370   1.3410   9.2750   1.2870   8.7990   2.3530 0.4752000 2.682000 
1 1 1   27   23   12 o   4.9560   1.5300   4.3490   1.8010   5.5630   2.4730 -1.214000 3.060000 
1 1 1   27   23   13 o   3.9880   1.3650   3.0890   1.4800   4.8880   2.2940 -1.799000 2.730000 
1 1 1   27   23   14 o   4.0250   1.2740   4.5230   1.8720   3.5270   1.7280 0.9955000 2.548000 
1 1 1   27   23   15 o   3.8910   1.2690   3.8550   1.7040   3.9270   1.8800 -0.7163000E-01 2.537000 
1 1 1   27   23   16 o   4.5440   1.4190   3.9770   1.7320   5.1110   2.2480 -1.134000 2.838000 
1 1 1   27   23   17 f   4.0960   1.3010   4.3140   1.7990   3.8790   1.8790 0.4350000 2.602000 
1 1 1   27   23   18 o   3.2750   1.1340   3.0030   1.4500   3.5470   1.7430 -0.5439000 2.267000 
1 1 1   27   23   19 o   4.5100   1.3700   4.9380   1.9300   4.0810   1.9470 0.8576000 2.741000 
1 1 1   27   23   20 o   3.6060   1.2800   3.2200   1.6060   3.9920   1.9930 -0.7711000 2.560000 
1 1 1   27   23   21 o   3.5030   1.1790   3.5840   1.6480   3.4220   1.6860 0.1618000 2.358000 
1 1 1   27   23   22 o   2.4280   0.8738   2.2920   1.1590   2.5630   1.3080 -0.2707000 1.748000 
1 1 1   27   23   23 o   2.3880   0.8550   2.5480   1.2680   2.2280   1.1470 0.3206000 1.710000 
1 1 1   27   25    0 o   5.6250   1.2700   5.6090   1.7650   5.6410   1.8280 -0.3154000E-01 2.541000 
1 1 1   27   25    1 o   7.1420   1.1640   8.3690   1.3980   5.9150   1.8630 2.455000 2.329000 
1 1 1   27   25    2 o   13.800   0.7133   13.800   0.8619   13.790   1.1370 0.9664000E-02 1.427000 
1 1 1   27   25    3 o   5.1320   1.3730   5.3350   1.8850   4.9290   1.9960 0.4056000 2.745000 
1 1 1   27   25    4 o   3.9820   1.2500   3.7100   1.6610   4.2550   1.8670 -0.5447000 2.499000 
1 1 1   27   25    5 f   6.1510   1.3750   6.3520   1.8400   5.9490   2.0440 0.4029000 2.750000 
1 1 1   27   25    6 o   5.6510   1.2870   5.8700   1.7600   5.4310   1.8770 0.4392000 2.573000 
1 1 1   27   25    7 o   7.1970   1.2770   5.5660   1.9300   8.8270   1.6730 -3.261000 2.555000 
1 1 1   27   25    8 o   9.4170   1.1110   8.0340   1.7550   10.800   1.3610 -2.765000 2.221000 
1 1 1   27   25    9 o   3.8640   1.2090   3.0630   1.4750   4.6640   1.9160 -1.601000 2.418000 
1 1 1   27   25   10 o   3.2310   1.0660   3.4060   1.5490   3.0560   1.4640 0.3503000 2.132000 
1 1 1   27   25   11 o   4.4750   1.2130   3.1600   1.4830   5.7890   1.9200 -2.629000 2.426000 
1 1 1   27   25   12 f   5.5170   1.3550   5.9230   1.9140   5.1110   1.9190 0.8112000 2.710000 
1 1 1   27   25   13 o   12.380   0.7966   12.920   1.0440   11.840   1.2040 1.086000 1.593000 
1 1 1   27   25   14 f   2.5850   0.9109   2.7420   1.3490   2.4280   1.2240 0.3141000 1.822000 
1 1 1   27   25   15 o   4.3460   1.2910   4.5870   1.8520   4.1040   1.7980 0.4834000 2.582000 
1 1 1   27   25   16 o   3.7400   1.2110   3.7880   1.7430   3.6910   1.6830 0.9727000E-01 2.423000 
1 1 1   27   25   17 o   4.1240   1.3500   3.6930   1.7320   4.5560   2.0720 -0.8631000 2.701000 
1 1 1   27   25   18 o   2.9570   1.0540   2.9360   1.4830   2.9780   1.4970 -0.4219000E-01 2.107000 
1 1 1   27   25   19 o   2.9130   1.0060   2.8330   1.3860   2.9920   1.4580 -0.1590000 2.011000 
1 1 1   27   25   20 o   2.4730   0.8766   2.4840   1.2420   2.4620   1.2370 0.2265000E-01 1.753000 
1 1 1   27   25   21 o   2.7840   0.9830   2.6770   1.3210   2.8910   1.4560 -0.2136000 1.966000 
1 1 1   27   27    0 o   4.0510   1.2600   4.1070   1.7920   3.9950   1.7720 0.1116000 2.520000 
1 1 1   27   27    1 o   4.5060   1.3340   4.6100   1.8800   4.4020   1.8920 0.2078000 2.667000 
1 1 1   27   27    2 o   10.600   1.0100   9.6210   1.4910   11.580   1.3630 -1.958000 2.020000 
1 1 1   27   27    3 o   14.570   0.6589   15.180   0.8242   13.960   1.0280 1.224000 1.318000 
1 1 1   27   27    4 o   14.590   0.6435   13.450   0.9287   15.720   0.8910 -2.268000 1.287000 
1 1 1   27   27    5 o   6.2940   1.3260   5.4820   1.8680   7.1060   1.8820 -1.624000 2.652000 
1 1 1   27   27    6 o   11.430   0.8234   11.600   1.1060   11.250   1.2210 0.3457000 1.647000 
1 1 1   27   27    7 o   12.860   0.7187   12.590   1.0130   13.130   1.0200 -0.5464000 1.437000 
1 1 1   27   27    8 o   11.410   0.8881   13.410   0.9685   9.4080   1.4890 3.999000 1.776000 
1 1 1   27   27    9 o   7.8830   1.1770   9.9140   1.3140   5.8530   1.9530 4.061000 2.354000 
1 1 1   27   27   10 o   3.4040   1.1150   2.6460   1.3240   4.1620   1.7950 -1.516000 2.230000 
1 1 1   27   27   11 o   3.8930   1.1950   4.6220   1.8520   3.1630   1.5100 1.459000 2.390000 
1 1 1   27   27   12 o   4.8580   1.2300   6.4320   1.9050   3.2840   1.5570 3.148000 2.461000 
1 1 1   27   27   13 o   5.7310   1.4700   6.3110   2.0970   5.1520   2.0620 1.159000 2.941000 
1 1 1   27   27   14 o   3.6490   1.2090   3.8030   1.7540   3.4940   1.6650 0.3088000 2.418000 
1 1 1   27   27   15 o   4.2460   1.3360   3.9130   1.7960   4.5790   1.9790 -0.6656000 2.672000 
1 1 1   27   27   16 o   3.3250   1.1330   3.1940   1.5510   3.4570   1.6530 -0.2623000 2.267000 
1 1 1   27   27   17 o   2.7910   0.9698   2.7830   1.3650   2.7980   1.3780 -0.1494000E-01 1.940000 
1 1 1   27   27   18 o   3.1980   1.0720   3.3680   1.5660   3.0270   1.4630 0.3414000 2.144000 
1 1 1   27   29    0 o   7.5900   1.2080   6.6320   1.8390   8.5480   1.5670 -1.916000 2.417000 
1 1 1   27   29    1 o   7.3780   1.2680   7.5230   1.7450   7.2320   1.8390 0.2905000 2.535000 
1 1 1   27   29    2 o   9.1580   1.0670   9.5170   1.4250   8.8000   1.5890 0.7170000 2.134000 
1 1 1   27   29    3 o   12.440   0.7986   13.880   0.9616   11.000   1.2750 2.875000 1.597000 
1 1 1   27   29    4 o   5.9360   1.3050   7.2060   1.7980   4.6670   1.8910 2.539000 2.609000 
1 1 1   27   29    5 o   12.640   0.7697   13.110   1.0280   12.160   1.1460 0.9550000 1.539000 
1 1 1   27   29    6 o   3.9630   1.2130   4.7080   1.8800   3.2190   1.5320 1.488000 2.425000 
1 1 1   27   29    7 o   4.6210   1.3210   4.4340   1.8360   4.8090   1.9010 -0.3750000 2.643000 
1 1 1   27   29    8 o   2.9310   1.0220   2.7570   1.3720   3.1060   1.5160 -0.3493000 2.045000 
1 1 1   27   29    9 f   4.0890   1.2900   3.8800   1.7730   4.2990   1.8740 -0.4188000 2.580000 
1 1 1   27   29   10 o   3.9870   1.2870   3.2000   1.5450   4.7740   2.0580 -1.574000 2.573000 
1 1 1   27   29   11 o   4.9660   1.3340   5.3100   1.9160   4.6220   1.8580 0.6880000 2.669000 
1 1 1   27   29   12 o   2.7360   0.9671   3.1350   1.5240   2.3370   1.1910 0.7979000 1.934000 
1 1 1   27   29   13 o   3.1700   1.0880   3.7310   1.7340   2.6080   1.3140 1.123000 2.175000 
1 1 1   27   29   14 o   2.5880   0.9084   2.5340   1.2610   2.6420   1.3080 -0.1078000 1.817000 
1 1 1   27   29   15 o   2.2050   0.8096   2.2160   1.1500   2.1930   1.1400 0.2331000E-01 1.619000 
1 1 1   27   31    0 o   4.8210   1.3880   4.7490   1.9360   4.8920   1.9880 -0.1432000 2.775000 
1 1 1   27   31    1 o   5.6640   1.4430   5.4090   1.9990   5.9180   2.0820 -0.5084000 2.886000 
1 1 1   27   31    2 o   5.2740   1.4260   5.5720   2.0350   4.9770   1.9980 0.5953000 2.852000 
1 1 1   27   31    3 o   3.7180   1.2020   3.3940   1.5780   4.0410   1.8140 -0.6470000 2.404000 
1 1 1   27   31    4 o   5.3290   1.3380   6.0480   1.9130   4.6100   1.8690 1.438000 2.675000 
1 1 1   27   31    5 o   4.7670   1.3400   4.3870   1.8790   5.1480   1.9100 -0.7615000 2.680000 
1 1 1   27   31    6 o   3.8460   1.1940   3.3370   1.5590   4.3560   1.8100 -1.019000 2.389000 
1 1 1   27   31    7 o   2.2630   0.8106   2.2710   1.1490   2.2560   1.1430 0.1524000E-01 1.621000 
1 1 1   27   31    8 o   2.5070   0.8954   2.6720   1.3360   2.3410   1.1920 0.3309000 1.791000 
1 1 1   27   31    9 o   2.8020   0.9839   2.6390   1.3220   2.9640   1.4570 -0.3247000 1.968000 
1 1 1   27   31   10 f   2.5440   0.9050   2.9720   1.4550   2.1160   1.0760 0.8567000 1.810000 
1 1 1   27   33    0 o   2.2070   0.7967   2.4350   1.2260   1.9790   1.0180 0.4565000 1.593000 
1 1 1   27   33    1 o   4.0870   1.3040   3.1080   1.5310   5.0660   2.1120 -1.957000 2.608000 
1 1 1   28    0    0 o   39.170   0.5308   39.170   0.5308   39.170   0.5308 -0.000000 0.000000 
1 1 1   28    0    1 o   11.070   0.6388   11.070   0.6388   11.070   0.6388 -0.000000 0.000000 
1 1 1   28    0    2 o   24.210   0.3228   24.210   0.3228   24.210   0.3228 0.000000 0.000000 
1 1 1   28    0    3 o   36.650   0.3751   36.650   0.3751   36.650   0.3751 -0.000000 0.000000 
1 1 1   28    0    4 o   14.660   0.4169   14.660   0.4169   14.660   0.4169 -0.000000 0.000000 
1 1 1   28    0    5 o   38.330   0.5716   38.330   0.5716   38.330   0.5716 0.000000 0.000000 
1 1 1   28    0    6 o   52.460   0.7102   52.460   0.7102   52.460   0.7102 -0.000000 0.000000 
1 1 1   28    0    7 o   1.5830   1.1160   1.5830   1.1160   1.5830   1.1160 0.000000 0.000000 
1 1 1   28    0    8 o   6.2940   1.3670   6.2940   1.3670   6.2940   1.3670 0.000000 0.000000 
1 1 1   28    0    9 o   63.600   0.5933   63.600   0.5933   63.600   0.5933 0.000000 0.000000 
1 1 1   28    0   10 o   1.7080   1.2150   1.7080   1.2150   1.7080   1.2150 -0.000000 0.000000 
1 1 1   28    0   11 o   25.830   0.4549   25.830   0.4549   25.830   0.4549 -0.000000 0.000000 
1 1 1   28    0   12 o   22.510   0.5176   22.510   0.5176   22.510   0.5176 -0.000000 0.000000 
1 1 1   28    0   13 o   8.7270   1.3390   8.7270   1.3390   8.7270   1.3390 0.000000 0.000000 
1 1 1   28    0   14 o   8.0670   1.4900   8.0670   1.4900   8.0670   1.4900 -0.000000 0.000000 
1 1 1   28    0   15 o   3.6590   2.1770   3.6590   2.1770   3.6590   2.1770 0.000000 0.000000 
1 1 1   28    0   16 o   14.390   0.7836   14.390   0.7836   14.390   0.7836 -0.000000 0.000000 
1 1 1   28    0   17 o   18.620   0.6209   18.620   0.6209   18.620   0.6209 0.000000 0.000000 
1 1 1   28    0   18 o   1.7480   1.2510   1.7480   1.2510   1.7480   1.2510 -0.000000 0.000000 
1 1 1   28    0   19 o   2.9980   1.8310   2.9980   1.8310   2.9980   1.8310 0.000000 0.000000 
1 1 1   28    0   20 o   14.970   1.0990   14.970   1.0990   14.970   1.0990 -0.000000 0.000000 
1 1 1   28    0   21 o   1.7720   1.2620   1.7720   1.2620   1.7720   1.2620 0.000000 0.000000 
1 1 1   28    0   22 o   2.3090   1.5440   2.3090   1.5440   2.3090   1.5440 0.000000 0.000000 
1 1 1   28    0   23 o   3.8560   2.0210   3.8560   2.0210   3.8560   2.0210 0.000000 0.000000 
1 1 1   28    0   24 o   2.4720   1.6360   2.4720   1.6360   2.4720   1.6360 0.000000 0.000000 
1 1 1   28    0   25 o   12.880   0.8715   12.880   0.8715   12.880   0.8715 0.000000 0.000000 
1 1 1   28    0   26 o   2.1600   1.5020   2.1600   1.5020   2.1600   1.5020 -0.000000 0.000000 
1 1 1   28    0   27 o   3.5040   2.1950   3.5040   2.1950   3.5040   2.1950 -0.000000 0.000000 
1 1 1   28    0   28 o   6.4920   2.7320   6.4920   2.7320   6.4920   2.7320 -0.000000 0.000000 
1 1 1   28    0   29 o   3.1930   2.0070   3.1930   2.0070   3.1930   2.0070 -0.000000 0.000000 
1 1 1   28    0   30 o   3.3290   2.0620   3.3290   2.0620   3.3290   2.0620 -0.000000 0.000000 
1 1 1   28    0   31 o   2.8360   1.8620   2.8360   1.8620   2.8360   1.8620 -0.000000 0.000000 
1 1 1   28    0   32 o   2.9640   2.0300   2.9640   2.0300   2.9640   2.0300 0.000000 0.000000 
1 1 1   28    0   33 o   2.6830   1.9370   2.6830   1.9370   2.6830   1.9370 -0.000000 0.000000 
1 1 1   28    2    0 o   29.190   0.2764   28.590   0.4488   29.790   0.3228 -1.196000 0.5529000 
1 1 1   28    2    1 o   38.660   0.3130   38.530   0.4411   38.780   0.4441 -0.2543000 0.6259000 
1 1 1   28    2    2 o   51.780   0.3402   51.860   0.4820   51.700   0.4803 0.1626000 0.6805000 
1 1 1   28    2    3 o   52.770   0.3474   52.700   0.4909   52.850   0.4918 -0.1537000 0.6949000 
1 1 1   28    2    4 o   57.820   0.4360   58.460   0.6238   57.170   0.6093 1.294000 0.8720000 
1 1 1   28    2    5 o   66.850   0.4988   67.530   0.7132   66.160   0.6976 1.375000 0.9976000 
1 1 1   28    2    6 o   14.290   0.4271   13.850   0.6045   14.740   0.6035 -0.8887000 0.8542000 
1 1 1   28    2    7 o   25.920   0.3196   26.400   0.4365   25.440   0.4670 0.9602000 0.6392000 
1 1 1   28    2    8 o   47.080   0.3305   46.830   0.4632   47.340   0.4716 -0.5170000 0.6610000 
1 1 1   28    2    9 o   35.120   0.3421   35.970   0.4902   34.270   0.4773 1.695000 0.6842000 
1 1 1   28    2   10 o   66.630   0.4403   66.940   0.6245   66.320   0.6207 0.6195000 0.8805000 
1 1 1   28    2   11 f   8.5070   0.8338   8.9840   1.1110   8.0300   1.2430 0.9547000 1.668000 
1 1 1   28    2   12 o   10.400   0.7126   9.8290   1.0570   10.960   0.9558 -1.133000 1.425000 
1 1 1   28    2   13 o   48.470   0.3589   48.090   0.5045   48.850   0.5105 -0.7652000 0.7177000 
1 1 1   28    2   14 o   28.120   0.4574   27.380   0.5270   28.870   0.7478 -1.493000 0.9148000 
1 1 1   28    2   15 o   33.530   0.5006   32.380   0.7725   34.670   0.6370 -2.297000 1.001000 
1 1 1   28    2   16 o   16.180   0.4856   16.030   0.6913   16.320   0.6823 -0.2828000 0.9713000 
1 1 1   28    2   17 o   21.930   0.3839   21.620   0.5431   22.240   0.5427 -0.6169000 0.7678000 
1 1 1   28    2   18 o   15.990   0.4822   15.470   0.6963   16.500   0.6674 -1.036000 0.9645000 
1 1 1   28    2   19 o   18.830   0.4980   20.250   0.6930   17.410   0.7153 2.835000 0.9959000 
1 1 1   28    2   20 o   4.3420   1.2350   5.0040   1.8240   3.6800   1.6650 1.323000 2.469000 
1 1 1   28    2   21 o   6.1150   1.1440   5.9480   1.6530   6.2810   1.5830 -0.3331000 2.289000 
1 1 1   28    2   22 o   8.7490   0.8659   9.6060   1.0850   7.8910   1.3500 1.715000 1.732000 
1 1 1   28    2   23 f   5.3840   1.2170   5.3110   1.6960   5.4570   1.7450 -0.1464000 2.433000 
1 1 1   28    2   24 o   5.7650   1.1460   7.1490   1.5220   4.3820   1.7120 2.767000 2.291000 
1 1 1   28    2   25 o   17.590   0.4804   17.570   0.6737   17.610   0.6849 -0.3816000E-01 0.9607000 
1 1 1   28    2   26 o   7.2070   1.1110   5.8940   1.7350   8.5200   1.3870 -2.626000 2.221000 
1 1 1   28    2   27 o   5.9530   1.2990   7.5790   1.8260   4.3280   1.8470 3.251000 2.598000 
1 1 1   28    2   28 o   4.4850   1.3290   5.3440   2.0540   3.6250   1.6860 1.719000 2.657000 
1 1 1   28    2   29 o   4.0880   1.2540   4.3790   1.8320   3.7980   1.7120 0.5808000 2.507000 
1 1 1   28    2   30 o   2.8530   0.9891   2.9100   1.4190   2.7960   1.3780 0.1139000 1.978000 
1 1 1   28    2   31 o   3.3580   1.1390   3.2040   1.5580   3.5120   1.6610 -0.3081000 2.277000 
1 1 1   28    2   32 o   3.0880   1.0630   2.6820   1.3400   3.4940   1.6510 -0.8122000 2.127000 
1 1 1   28    4    0 o   30.220   0.3019   30.960   0.5104   29.480   0.3228 1.476000 0.6039000 
1 1 1   28    4    1 o   32.030   0.3315   31.490   0.5224   32.580   0.4084 -1.085000 0.6631000 
1 1 1   28    4    2 o   14.280   0.5949   15.110   1.1150   13.440   0.4145 1.669000 1.190000 
1 1 1   28    4    3 o   72.640   0.7701   72.840   1.3420   72.440   0.7560 0.4028000 1.540000 
1 1 1   28    4    4 o   64.890   0.4208   64.520   0.5930   65.250   0.5973 -0.7332000 0.8416000 
1 1 1   28    4    5 o   89.430   0.5695   88.980   0.8015   89.880   0.8094 -0.9061000 1.139000 
1 1 1   28    4    6 o   20.090   0.3540   19.570   0.4845   20.610   0.5163 -1.031000 0.7080000 
1 1 1   28    4    7 o   31.750   0.3274   31.110   0.4478   32.380   0.4777 -1.265000 0.6548000 
1 1 1   28    4    8 o   77.090   0.4981   77.040   0.7034   77.150   0.7056 -0.1067000 0.9963000 
1 1 1   28    4    9 o   62.570   0.4164   62.550   0.5878   62.590   0.5900 -0.4638000E-01 0.8328000 
1 1 1   28    4   10 o   22.420   0.3402   22.460   0.4723   22.390   0.4896 0.7491000E-01 0.6803000 
1 1 1   28    4   11 o   4.2410   1.1030   3.1520   1.4240   5.3300   1.6850 -2.178000 2.206000 
1 1 1   28    4   12 o   14.500   0.5250   15.790   0.6695   13.220   0.8089 2.572000 1.050000 
1 1 1   28    4   13 o   15.510   0.5559   15.530   0.7447   15.480   0.8255 0.5101000E-01 1.112000 
1 1 1   28    4   14 o   12.630   0.6820   13.190   0.8829   12.070   1.0400 1.117000 1.364000 
1 1 1   28    4   15 o   12.610   0.7434   13.220   1.0330   12.000   1.0690 1.227000 1.487000 
1 1 1   28    4   16 o   19.980   0.4202   20.060   0.5790   19.900   0.6091 0.1596000 0.8404000 
1 1 1   28    4   17 o   17.980   0.4466   18.290   0.6028   17.680   0.6592 0.6083000 0.8933000 
1 1 1   28    4   18 o   13.490   0.5715   13.920   0.7727   13.070   0.8422 0.8454000 1.143000 
1 1 1   28    4   19 o   8.7150   1.0420   8.5990   1.5520   8.8300   1.3920 -0.2312000 2.085000 
1 1 1   28    4   20 o   8.5130   1.0730   9.1750   1.2430   7.8520   1.7490 1.323000 2.145000 
1 1 1   28    4   21 o   3.5060   1.0770   3.6520   1.5520   3.3600   1.4930 0.2925000 2.153000 
1 1 1   28    4   22 o   4.8420   1.1500   5.6950   1.6290   3.9890   1.6230 1.705000 2.300000 
1 1 1   28    4   23 o   9.4150   0.8435   10.250   1.0250   8.5780   1.3390 1.674000 1.687000 
1 1 1   28    4   24 o   5.9500   1.1930   6.8250   1.5900   5.0740   1.7780 1.751000 2.385000 
1 1 1   28    4   25 o   4.5260   1.1580   5.6480   1.7370   3.4030   1.5330 2.245000 2.317000 
1 1 1   28    4   26 o   3.4510   1.0780   2.4940   1.2330   4.4090   1.7700 -1.916000 2.157000 
1 1 1   28    4   27 o   4.1620   1.2480   3.1770   1.5250   5.1470   1.9760 -1.971000 2.496000 
1 1 1   28    4   28 o   3.8910   1.2480   3.6750   1.7200   4.1060   1.8080 -0.4312000 2.496000 
1 1 1   28    4   29 o   3.5150   1.1440   3.1390   1.5000   3.8910   1.7290 -0.7523000 2.289000 
1 1 1   28    4   30 o   4.6920   1.3270   5.1450   1.9360   4.2380   1.8150 0.9074000 2.654000 
1 1 1   28    4   31 f   4.1640   1.3070   3.4550   1.6540   4.8720   2.0240 -1.417000 2.614000 
1 1 1   28    4   32 o   2.9490   1.0280   2.6830   1.3450   3.2150   1.5540 -0.5329000 2.055000 
1 1 1   28    6    0 o   67.590   0.8694   67.590   0.8694  ?   ?       ?      ? 
1 1 1   28    6    1 o   58.660   0.4443   58.060   0.6226   59.260   0.6340 -1.198000 0.8886000 
1 1 1   28    6    2 o   96.120   0.6100   94.800   0.8514   97.440   0.8739 -2.641000 1.220000 
1 1 1   28    6    3 f   13.100   0.3504   12.470   0.5346   13.730   0.4532 -1.262000 0.7008000 
1 1 1   28    6    4 o   15.810   0.4738   15.860   0.8406   15.760   0.4373 0.9946000E-01 0.9475000 
1 1 1   28    6    5 f   44.990   0.4007   44.730   0.6616   45.250   0.4521 -0.5150000 0.8014000 
1 1 1   28    6    6 o   49.770   0.4554   49.390   0.7065   50.140   0.5749 -0.7540000 0.9108000 
1 1 1   28    6    7 o   24.080   0.4058   24.120   0.6900   24.050   0.4273 0.7547000E-01 0.8116000 
1 1 1   28    6    8 o   61.490   0.5086   60.830   0.8302   62.160   0.5878 -1.329000 1.017000 
1 1 1   28    6    9 o   57.600   0.4908   57.350   0.8057   57.860   0.5607 -0.5169000 0.9816000 
1 1 1   28    6   10 o   17.760   0.5615   18.530   0.9304   17.000   0.6287 1.538000 1.123000 
1 1 1   28    6   11 o   41.370   0.4308   41.200   0.7122   41.540   0.4851 -0.3423000 0.8617000 
1 1 1   28    6   12 o   22.420   0.5796   22.500   0.9802   22.340   0.6188 0.1625000 1.159000 
1 1 1   28    6   13 o   9.1270   1.2910   9.5020   2.1370   8.7520   1.4490 0.7501000 2.582000 
1 1 1   28    6   14 f   5.7340   1.4000   6.8690   2.1810   4.5980   1.7560 2.271000 2.800000 
1 1 1   28    6   15 f   18.330   0.6108   18.490   0.9577   18.180   0.7584 0.3130000 1.222000 
1 1 1   28    6   16 o   12.640   0.8178   11.980   1.3910   13.300   0.8611 -1.329000 1.636000 
1 1 1   28    6   17 o   19.580   0.4781   19.930   0.7242   19.230   0.6244 0.7030000 0.9562000 
1 1 1   28    6   18 o   16.230   0.5823   16.810   0.8469   15.650   0.7995 1.162000 1.165000 
1 1 1   28    6   19 o   19.330   0.4589   19.570   0.6800   19.100   0.6164 0.4694000 0.9178000 
1 1 1   28    6   20 o   15.310   0.6229   14.820   0.8217   15.800   0.9365 -0.9787000 1.246000 
1 1 1   28    6   21 o   8.9670   0.8531   8.1140   1.2980   9.8200   1.1080 -1.706000 1.706000 
1 1 1   28    6   22 o   9.2300   0.8342   9.2020   1.1510   9.2570   1.2080 -0.5440000E-01 1.668000 
1 1 1   28    6   23 o   4.3640   1.2050   4.3270   1.6830   4.4000   1.7260 -0.7331000E-01 2.411000 
1 1 1   28    6   24 o   5.6740   1.2000   6.3500   1.6340   4.9990   1.7590 1.351000 2.400000 
1 1 1   28    6   25 o   7.6340   1.0980   6.6170   1.6820   8.6510   1.4120 -2.033000 2.196000 
1 1 1   28    6   26 o   7.0160   1.2600   8.3060   1.5820   5.7250   1.9620 2.581000 2.520000 
1 1 1   28    6   27 o   4.2880   1.3320   4.3820   1.9030   4.1940   1.8650 0.1884000 2.665000 
1 1 1   28    6   28 o   4.8330   1.4070   4.4680   1.9300   5.1990   2.0470 -0.7312000 2.813000 
1 1 1   28    6   29 o   4.8260   1.3310   5.5280   1.9490   4.1230   1.8130 1.404000 2.662000 
1 1 1   28    6   30 o   3.7770   1.2080   3.5150   1.6330   4.0390   1.7790 -0.5240000 2.415000 
1 1 1   28    6   31 o   3.5270   1.2150   4.0100   1.8920   3.0450   1.5250 0.9653000 2.430000 
1 1 1   28    6   32 o   2.8130   0.9898   2.9600   1.4580   2.6650   1.3390 0.2943000 1.980000 
1 1 1   28    8    0 o   72.160   0.4643   71.410   0.6496   72.910   0.6637 -1.499000 0.9287000 
1 1 1   28    8    1 o   99.330   0.6309   98.650   0.8861  100.000   0.8983 -1.361000 1.262000 
1 1 1   28    8    2 o   79.040   0.5073   79.510   0.7210   78.560   0.7139 0.9534000 1.015000 
1 1 1   28    8    3 o   59.760   0.3969   59.850   0.5621   59.670   0.5604 0.1829000 0.7937000 
1 1 1   28    8    4 o   83.710   0.5377   84.070   0.7631   83.360   0.7577 0.7062000 1.075000 
1 1 1   28    8    5 o   54.610   0.4341   54.760   0.6130   54.470   0.6147 0.2859000 0.8681000 
1 1 1   28    8    6 o   61.120   0.4769   61.290   0.6750   60.940   0.6740 0.3538000 0.9539000 
1 1 1   28    8    7 o   63.030   0.4228   63.220   0.5991   62.840   0.5968 0.3781000 0.8456000 
1 1 1   28    8    8 o   37.680   0.3173   37.780   0.4460   37.580   0.4515 0.1968000 0.6346000 
1 1 1   28    8    9 o   43.280   0.3939   43.170   0.5676   43.400   0.5463 -0.2283000 0.7877000 
1 1 1   28    8   10 o   38.520   0.3318   38.230   0.4666   38.810   0.4718 -0.5796000 0.6636000 
1 1 1   28    8   11 o   18.200   0.4845   18.680   0.6495   17.710   0.7191 0.9711000 0.9690000 
1 1 1   28    8   12 o   20.310   0.4235   19.810   0.5977   20.820   0.6001 -1.010000 0.8470000 
1 1 1   28    8   13 o   33.670   0.3444   33.590   0.4833   33.740   0.4909 -0.1500000 0.6889000 
1 1 1   28    8   14 o   24.640   0.4490   23.820   0.6646   25.470   0.6038 -1.652000 0.8979000 
1 1 1   28    8   15 o   24.330   0.4963   24.300   0.7885   24.360   0.6030 -0.5919000E-01 0.9926000 
1 1 1   28    8   16 o   26.800   0.4622   26.090   0.7770   27.510   0.5007 -1.419000 0.9244000 
1 1 1   28    8   17 o   27.100   0.7743   25.750   1.4470   28.450   0.5528 -2.697000 1.549000 
1 1 1   28    8   18 o   13.210   0.7669   12.070   1.3190   14.340   0.7824 -2.277000 1.534000 
1 1 1   28    8   19 o   8.0870   1.3030   7.6650   1.9730   8.5080   1.7030 -0.8429000 2.606000 
1 1 1   28    8   20 o   4.4000   1.2280   5.7910   2.0060   3.0100   1.4160 2.782000 2.456000 
1 1 1   28    8   21 o   12.080   0.8130   11.530   1.3690   12.630   0.8778 -1.099000 1.626000 
1 1 1   28    8   22 o   9.8550   0.9713   10.550   1.4950   9.1560   1.2400 1.398000 1.943000 
1 1 1   28    8   23 o   3.7570   1.1800   4.8460   1.9700   2.6680   1.3010 2.177000 2.361000 
1 1 1   28    8   24 o   5.5120   1.4150   6.0930   2.1520   4.9300   1.8380 1.163000 2.830000 
1 1 1   28    8   25 o   3.7350   1.1990   3.6880   1.7210   3.7820   1.6690 -0.9367000E-01 2.397000 
1 1 1   28    8   26 o   6.1270   1.5790   6.7690   2.4230   5.4850   2.0250 1.284000 3.158000 
1 1 1   28    8   27 o   4.2490   1.3450   4.1420   1.9190   4.3560   1.8830 -0.2142000 2.689000 
1 1 1   28    8   28 o   4.5780   1.3920   4.6330   2.0510   4.5220   1.8820 0.1105000 2.784000 
1 1 1   28    8   29 o   4.1180   1.3180   4.3050   1.9640   3.9310   1.7590 0.3737000 2.636000 
1 1 1   28    8   30 o   3.5750   1.2540   3.9680   1.9660   3.1820   1.5580 0.7853000 2.509000 
1 1 1   28    8   31 o   3.0010   1.0530   2.8680   1.4470   3.1350   1.5300 -0.2668000 2.106000 
1 1 1   28   10    0 o   21.560   0.3118   21.820   0.4081   21.290   0.4714 0.5296000 0.6235000 
1 1 1   28   10    1 o   42.190   0.3130   42.310   0.4388   42.070   0.4465 0.2394000 0.6260000 
1 1 1   28   10    2 o   22.940   0.3360   21.850   0.4293   24.030   0.5169 -2.176000 0.6719000 
1 1 1   28   10    3 o   84.250   0.5421   84.000   0.7631   84.500   0.7702 -0.5071000 1.084000 
1 1 1   28   10    4 o   61.560   0.5293   60.190   0.8011   62.940   0.6921 -2.750000 1.059000 
1 1 1   28   10    5 o   47.090   0.4066   46.440   0.5732   47.730   0.5768 -1.291000 0.8131000 
1 1 1   28   10    6 o   9.4610   0.7274   8.4100   1.1130   10.510   0.9363 -2.103000 1.455000 
1 1 1   28   10    7 o   9.7840   0.7392   9.5330   1.0210   10.030   1.0700 -0.5013000 1.478000 
1 1 1   28   10    8 o   65.090   0.5019   64.130   0.6970   66.050   0.7223 -1.920000 1.004000 
1 1 1   28   10    9 f   15.440   0.5529   15.400   0.7658   15.490   0.7977 -0.8978000E-01 1.106000 
1 1 1   28   10   10 o   27.590   0.4291   26.750   0.6511   28.420   0.5590 -1.667000 0.8582000 
1 1 1   28   10   11 o   7.5810   1.0660   7.0410   1.5500   8.1210   1.4640 -1.080000 2.132000 
1 1 1   28   10   12 o   20.040   0.4245   20.050   0.5789   20.030   0.6210 0.2040000E-01 0.8490000 
1 1 1   28   10   13 o   21.620   0.4140   21.690   0.5653   21.540   0.6049 0.1486000 0.8279000 
1 1 1   28   10   14 o   21.040   0.6049   20.080   0.7533   22.000   0.9467 -1.925000 1.210000 
1 1 1   28   10   15 o   7.4800   1.1700   8.7460   1.4320   6.2140   1.8510 2.532000 2.340000 
1 1 1   28   10   16 o   11.720   0.7370   10.870   1.1050   12.570   0.9758 -1.695000 1.474000 
1 1 1   28   10   17 o   7.3060   1.0160   7.1350   1.4150   7.4780   1.4590 -0.3434000 2.033000 
1 1 1   28   10   18 o   8.8680   0.8805   9.1950   1.1450   8.5410   1.3380 0.6538000 1.761000 
1 1 1   28   10   19 o   8.0310   1.1550   8.6020   1.3750   7.4600   1.8560 1.142000 2.310000 
1 1 1   28   10   20 o   3.3610   1.0620   3.5280   1.5370   3.1950   1.4650 0.3336000 2.123000 
1 1 1   28   10   21 o   3.8250   1.0940   2.8230   1.3410   4.8270   1.7300 -2.003000 2.189000 
1 1 1   28   10   22 o   6.0110   1.2010   5.7200   1.7030   6.3010   1.6940 -0.5809000 2.402000 
1 1 1   28   10   23 o   7.4970   1.1030   8.1170   1.4260   6.8780   1.6830 1.239000 2.206000 
1 1 1   28   10   24 o   3.2920   1.0740   3.4890   1.5690   3.0960   1.4680 0.3937000 2.148000 
1 1 1   28   10   25 o   5.6720   1.3410   4.4230   1.8190   6.9210   1.9720 -2.498000 2.682000 
1 1 1   28   10   26 f   5.0250   1.3440   4.7940   1.8610   5.2550   1.9390 -0.4617000 2.688000 
1 1 1   28   10   27 o   6.5410   1.4930   6.7670   2.0860   6.3140   2.1360 0.4537000 2.986000 
1 1 1   28   10   28 o   5.2210   1.3620   4.7560   1.8680   5.6860   1.9830 -0.9306000 2.724000 
1 1 1   28   10   29 o   3.2000   1.1050   3.3580   1.6210   3.0430   1.5010 0.3146000 2.209000 
1 1 1   28   10   30 o   3.5610   1.1610   3.5880   1.6580   3.5340   1.6260 0.5427000E-01 2.322000 
1 1 1   28   10   31 o   2.7980   0.9851   2.8950   1.4310   2.7000   1.3540 0.1940000 1.970000 
1 1 1   28   12    0 o   39.040   0.3164   38.660   0.4411   39.430   0.4538 -0.7641000 0.6328000 
1 1 1   28   12    1 o   14.500   0.6837   15.910   1.0260   13.080   0.9039 2.832000 1.367000 
1 1 1   28   12    2 o   59.770   0.4716   58.890   0.6548   60.650   0.6788 -1.757000 0.9432000 
1 1 1   28   12    3 o   42.720   0.3336   42.630   0.4650   42.800   0.4784 -0.1687000 0.6671000 
1 1 1   28   12    4 o   15.820   0.4745   15.050   0.6654   16.590   0.6767 -1.538000 0.9491000 
1 1 1   28   12    5 o   28.460   0.3701   28.120   0.5104   28.790   0.5361 -0.6685000 0.7402000 
1 1 1   28   12    6 o   56.390   0.5112   56.620   0.6374   56.160   0.7995 0.4611000 1.022000 
1 1 1   28   12    7 o   13.950   0.6269   14.420   0.8182   13.480   0.9501 0.9400000 1.254000 
1 1 1   28   12    8 o   32.610   0.3498   32.310   0.4886   32.900   0.5008 -0.5883000 0.6997000 
1 1 1   28   12    9 o   49.820   0.3781   49.990   0.5317   49.650   0.5378 0.3397000 0.7562000 
1 1 1   28   12   10 o   39.140   0.3508   39.200   0.4898   39.080   0.5022 0.1251000 0.7015000 
1 1 1   28   12   11 o   11.420   0.7114   10.700   1.0480   12.130   0.9618 -1.432000 1.423000 
1 1 1   28   12   12 o   24.890   0.3839   24.890   0.5268   24.900   0.5585 -0.4332000E-02 0.7677000 
1 1 1   28   12   13 o   15.800   0.6606   15.580   0.9575   16.020   0.9104 -0.4442000 1.321000 
1 1 1   28   12   14 o   17.910   0.5161   18.530   0.7161   17.290   0.7434 1.241000 1.032000 
1 1 1   28   12   15 o   3.0690   1.0120   2.9980   1.4010   3.1390   1.4600 -0.1408000 2.024000 
1 1 1   28   12   16 o   5.4190   1.1730   4.1330   1.6490   6.7060   1.6680 -2.573000 2.346000 
1 1 1   28   12   17 o   17.720   0.4591   17.700   0.6186   17.740   0.6786 -0.3756000E-01 0.9182000 
1 1 1   28   12   18 o   8.2210   1.1720   9.0230   1.3710   7.4190   1.9000 1.605000 2.343000 
1 1 1   28   12   19 o   4.4220   1.1970   4.0160   1.6290   4.8270   1.7550 -0.8112000 2.394000 
1 1 1   28   12   20 o   5.8120   1.2170   5.6750   1.6870   5.9480   1.7550 -0.2730000 2.434000 
1 1 1   28   12   21 o   4.2570   1.2050   4.3810   1.6890   4.1340   1.7190 0.2468000 2.410000 
1 1 1   28   12   22 f   3.7160   1.1310   4.1750   1.6880   3.2570   1.5060 0.9185000 2.262000 
1 1 1   28   12   23 o   6.5940   1.2560   7.1610   1.6890   6.0270   1.8610 1.134000 2.513000 
1 1 1   28   12   24 o   5.6760   1.2990   3.8390   1.7110   7.5140   1.9560 -3.675000 2.599000 
1 1 1   28   12   25 o   6.7820   1.3060   5.4870   1.9010   8.0760   1.7920 -2.588000 2.612000 
1 1 1   28   12   26 o   3.6640   1.2160   3.2510   1.5750   4.0770   1.8520 -0.8253000 2.431000 
1 1 1   28   12   27 o   4.5740   1.2370   2.8320   1.3870   6.3160   2.0490 -3.484000 2.474000 
1 1 1   28   12   28 o   4.5480   1.3900   4.7410   1.9990   4.3550   1.9320 0.3863000 2.780000 
1 1 1   28   12   29 o   4.5640   1.2930   3.5970   1.6610   5.5300   1.9820 -1.933000 2.586000 
1 1 1   28   12   30 o   2.3160   0.8350   2.3920   1.2160   2.2410   1.1450 0.1505000 1.670000 
1 1 1   28   14    0 o   48.570   0.4545   48.520   0.5768   48.620   0.7024 -0.9691000E-01 0.9089000 
1 1 1   28   14    1 o   18.840   0.4880   18.860   0.6729   18.820   0.7070 0.4533000E-01 0.9760000 
1 1 1   28   14    2 o   33.850   0.3738   34.080   0.5186   33.620   0.5384 0.4533000 0.7475000 
1 1 1   28   14    3 o   8.0300   1.1250   8.3170   1.4620   7.7430   1.7110 0.5733000 2.251000 
1 1 1   28   14    4 o   35.630   0.3403   35.180   0.4714   36.090   0.4907 -0.9052000 0.6805000 
1 1 1   28   14    5 o   22.850   0.4027   23.080   0.5362   22.620   0.6008 0.4588000 0.8053000 
1 1 1   28   14    6 o   27.610   0.3657   27.330   0.4992   27.890   0.5344 -0.5557000 0.7313000 
1 1 1   28   14    7 o   25.470   0.3873   25.390   0.5355   25.560   0.5596 -0.1731000 0.7746000 
1 1 1   28   14    8 o   20.490   0.4348   20.670   0.5923   20.320   0.6368 0.3491000 0.8697000 
1 1 1   28   14    9 o   28.180   0.3652   28.470   0.5067   27.890   0.5261 0.5786000 0.7304000 
1 1 1   28   14   10 o   10.600   0.7810   10.210   1.0890   10.980   1.1190 -0.7691000 1.562000 
1 1 1   28   14   11 o   13.930   0.9363   13.270   1.4730   14.600   1.1570 -1.331000 1.873000 
1 1 1   28   14   12 o   3.4780   1.1780   3.6340   1.7390   3.3220   1.5900 0.3118000 2.356000 
1 1 1   28   14   13 o   11.620   0.6814   10.720   1.0020   12.520   0.9232 -1.799000 1.363000 
1 1 1   28   14   14 o   4.6180   1.2170   4.3480   1.6680   4.8880   1.7710 -0.5407000 2.433000 
1 1 1   28   14   15 o   13.300   0.5885   13.190   0.8183   13.420   0.8461 -0.2250000 1.177000 
1 1 1   28   14   16 o   14.110   0.5629   13.830   0.7782   14.390   0.8135 -0.5543000 1.126000 
1 1 1   28   14   17 o   3.0660   1.0390   3.0880   1.4600   3.0440   1.4780 0.4382000E-01 2.077000 
1 1 1   28   14   18 o   3.0190   1.0030   2.9260   1.3820   3.1110   1.4550 -0.1852000 2.006000 
1 1 1   28   14   19 o   8.8670   0.9161   9.0510   1.2150   8.6830   1.3710 0.3672000 1.832000 
1 1 1   28   14   20 o   11.560   0.7180   11.980   0.9333   11.140   1.0910 0.8333000 1.436000 
1 1 1   28   14   21 o   7.5400   1.1130   7.2490   1.5640   7.8300   1.5850 -0.5803000 2.227000 
1 1 1   28   14   22 o   4.9970   1.3410   4.9660   1.8600   5.0280   1.9310 -0.6259000E-01 2.681000 
1 1 1   28   14   23 f   5.3070   1.3590   5.8470   1.9060   4.7670   1.9370 1.080000 2.718000 
1 1 1   28   14   24 o   7.5500   1.2020   9.2660   1.3860   5.8330   1.9630 3.433000 2.403000 
1 1 1   28   14   25 f   3.3090   1.1240   2.6750   1.3410   3.9440   1.8050 -1.269000 2.248000 
1 1 1   28   14   26 o   4.3800   1.3400   4.4400   1.9340   4.3200   1.8550 0.1196000 2.679000 
1 1 1   28   14   27 o   5.0690   1.3020   7.0420   2.1160   3.0960   1.5170 3.946000 2.604000 
1 1 1   28   14   28 o   2.7280   0.9541   2.6460   1.3180   2.8090   1.3800 -0.1628000 1.908000 
1 1 1   28   14   29 o   2.3340   0.8351   2.0050   1.0270   2.6620   1.3170 -0.6569000 1.670000 
1 1 1   28   16    0 o   15.480   0.5410   15.940   0.7257   15.030   0.8025 0.9113000 1.082000 
1 1 1   28   16    1 o   19.510   0.4490   20.050   0.5970   18.960   0.6709 1.092000 0.8980000 
1 1 1   28   16    2 o   38.590   0.3459   38.750   0.4807   38.420   0.4975 0.3335000 0.6919000 
1 1 1   28   16    3 o   38.380   0.3679   38.920   0.5434   37.850   0.4961 1.074000 0.7358000 
1 1 1   28   16    4 o   15.270   0.5514   15.060   0.7552   15.480   0.8037 -0.4192000 1.103000 
1 1 1   28   16    5 o   14.460   0.5905   15.330   0.7388   13.600   0.9215 1.733000 1.181000 
1 1 1   28   16    6 o   30.610   0.3543   30.200   0.4836   31.010   0.5179 -0.8045000 0.7086000 
1 1 1   28   16    7 o   36.020   0.3466   35.640   0.4748   36.410   0.5050 -0.7647000 0.6931000 
1 1 1   28   16    8 f   10.080   0.9514   10.220   1.3380   9.9510   1.3530 0.2658000 1.903000 
1 1 1   28   16    9 o   27.360   0.4751   27.290   0.5918   27.420   0.7435 -0.1306000 0.9503000 
1 1 1   28   16   10 o   14.390   0.9178   14.310   1.4300   14.460   1.1510 -0.1501000 1.836000 
1 1 1   28   16   11 o   6.5280   1.1670   5.5050   1.7280   7.5510   1.5690 -2.046000 2.334000 
1 1 1   28   16   12 o   4.5480   1.2200   4.3430   1.6820   4.7540   1.7670 -0.4108000 2.439000 
1 1 1   28   16   13 o   7.6940   1.0570   5.9990   1.6910   9.3890   1.2690 -3.390000 2.114000 
1 1 1   28   16   14 o   17.430   0.4713   17.070   0.6508   17.800   0.6819 -0.7242000 0.9426000 
1 1 1   28   16   15 o   6.9680   1.1290   7.5680   1.4380   6.3680   1.7410 1.200000 2.259000 
1 1 1   28   16   16 o   12.290   0.7842   11.910   1.0460   12.670   1.1690 -0.7600000 1.568000 
1 1 1   28   16   17 o   6.9970   1.1200   7.6720   1.4150   6.3220   1.7360 1.350000 2.240000 
1 1 1   28   16   18 o   7.8130   1.0600   6.0860   1.6950   9.5410   1.2730 -3.455000 2.120000 
1 1 1   28   16   19 o   14.720   0.5881   14.930   0.7737   14.510   0.8860 0.4134000 1.176000 
1 1 1   28   16   20 o   6.0060   1.1380   8.0820   1.4990   3.9310   1.7120 4.151000 2.276000 
1 1 1   28   16   21 o   4.4590   1.2930   4.2810   1.7740   4.6360   1.8830 -0.3558000 2.586000 
1 1 1   28   16   22 o   8.0390   1.1650   9.0440   1.3830   7.0330   1.8760 2.011000 2.330000 
1 1 1   28   16   23 o   8.5160   1.1470   7.3430   1.7440   9.6890   1.4920 -2.346000 2.295000 
1 1 1   28   16   24 o   3.0850   1.0690   3.4110   1.6360   2.7580   1.3770 0.6533000 2.138000 
1 1 1   28   16   25 o   4.3330   1.3400   3.9180   1.8090   4.7480   1.9780 -0.8298000 2.681000 
1 1 1   28   16   26 o   3.5560   1.1720   4.4750   1.9320   2.6380   1.3270 1.837000 2.344000 
1 1 1   28   16   27 o   3.6690   1.1790   3.8820   1.7190   3.4560   1.6150 0.4262000 2.358000 
1 1 1   28   16   28 o   2.2100   0.7930   2.2480   1.1390   2.1720   1.1030 0.7590000E-01 1.586000 
1 1 1   28   18    0 o   10.630   0.7569   9.7200   1.1460   11.540   0.9891 -1.815000 1.514000 
1 1 1   28   18    1 o   16.310   0.5125   15.510   0.7258   17.110   0.7236 -1.608000 1.025000 
1 1 1   28   18    2 o   19.410   0.4878   19.010   0.6856   19.810   0.6942 -0.7906000 0.9757000 
1 1 1   28   18    3 o   15.170   0.6072   15.210   0.8368   15.120   0.8801 0.8684000E-01 1.214000 
1 1 1   28   18    4 o   19.720   0.4879   19.480   0.6730   19.950   0.7065 -0.4683000 0.9757000 
1 1 1   28   18    5 o   5.8850   1.2350   7.2920   1.6600   4.4780   1.8280 2.814000 2.469000 
1 1 1   28   18    6 o   11.430   0.7828   11.030   1.0810   11.830   1.1320 -0.8033000 1.566000 
1 1 1   28   18    7 o   11.210   0.9059   11.620   1.1880   10.790   1.3680 0.8276000 1.812000 
1 1 1   28   18    8 f   16.010   0.6392   15.340   0.9192   16.680   0.8885 -1.342000 1.278000 
1 1 1   28   18    9 o   12.550   0.6334   13.300   0.7808   11.800   0.9977 1.500000 1.267000 
1 1 1   28   18   10 o   7.0810   1.1360   6.1410   1.6920   8.0210   1.5160 -1.880000 2.272000 
1 1 1   28   18   11 o   4.2770   1.1870   3.4680   1.5380   5.0860   1.8070 -1.618000 2.373000 
1 1 1   28   18   12 o   20.330   0.4267   20.150   0.5837   20.520   0.6225 -0.3703000 0.8534000 
1 1 1   28   18   13 o   5.5710   1.2220   4.9610   1.7070   6.1810   1.7490 -1.220000 2.444000 
1 1 1   28   18   14 o   14.110   0.6984   15.240   0.8450   12.970   1.1120 2.274000 1.397000 
1 1 1   28   18   15 o   8.8270   1.1140   5.8550   1.8770   11.800   1.2000 -5.943000 2.228000 
1 1 1   28   18   16 o   5.3120   1.2200   4.1080   1.6700   6.5170   1.7800 -2.409000 2.441000 
1 1 1   28   18   17 o   10.520   0.7954   10.050   1.1080   10.980   1.1410 -0.9344000 1.591000 
1 1 1   28   18   18 o   8.5100   1.0550   9.3500   1.2900   7.6700   1.6700 1.680000 2.111000 
1 1 1   28   18   19 o   6.1620   1.2680   7.8130   1.7070   4.5120   1.8740 3.301000 2.535000 
1 1 1   28   18   20 o   3.4630   1.1150   3.9900   1.7170   2.9360   1.4230 1.053000 2.230000 
1 1 1   28   18   21 o   7.4710   1.2250   6.1590   1.8770   8.7830   1.5750 -2.624000 2.450000 
1 1 1   28   18   22 o   3.8350   1.1940   3.0320   1.4580   4.6390   1.8910 -1.607000 2.388000 
1 1 1   28   18   23 o   3.5110   1.1850   3.5830   1.7020   3.4390   1.6490 0.1441000 2.370000 
1 1 1   28   18   24 o   4.2670   1.3960   5.0070   2.1940   3.5280   1.7260 1.479000 2.792000 
1 1 1   28   18   25 o   4.0640   1.3040   4.3240   1.9110   3.8040   1.7760 0.5202000 2.609000 
1 1 1   28   18   26 o   3.0190   1.0200   2.0690   1.0560   3.9700   1.7450 -1.901000 2.040000 
1 1 1   28   18   27 o   2.2830   0.8169   2.1910   1.1130   2.3750   1.1960 -0.1835000 1.634000 
1 1 1   28   20    0 o   21.130   0.5056   20.760   0.5629   21.500   0.8402 -0.7349000 1.011000 
1 1 1   28   20    1 o   19.400   0.5070   19.330   0.5889   19.470   0.8255 -0.1394000 1.014000 
1 1 1   28   20    2 o   12.910   0.6344   12.560   0.8559   13.250   0.9365 -0.6920000 1.269000 
1 1 1   28   20    3 o   8.4380   1.1730   9.6420   1.3610   7.2340   1.9100 2.408000 2.346000 
1 1 1   28   20    4 o   18.490   0.5546   17.900   0.7689   19.080   0.7994 -1.175000 1.109000 
1 1 1   28   20    5 o   10.040   1.0480   11.910   1.1170   8.1730   1.7730 3.739000 2.095000 
1 1 1   28   20    6 f   21.380   0.4065   21.550   0.5474   21.220   0.6012 0.3246000 0.8131000 
1 1 1   28   20    7 f   14.220   0.5551   13.460   0.7675   14.980   0.8023 -1.522000 1.110000 
1 1 1   28   20    8 o   8.8630   0.9166   9.3150   1.1180   8.4110   1.4530 0.9046000 1.833000 
1 1 1   28   20    9 o   14.290   0.5634   14.410   0.7521   14.170   0.8391 0.2419000 1.127000 
1 1 1   28   20   10 o   8.6320   0.9272   8.8420   1.1960   8.4220   1.4170 0.4205000 1.854000 
1 1 1   28   20   11 o   19.010   0.4515   18.530   0.6156   19.500   0.6606 -0.9637000 0.9030000 
1 1 1   28   20   12 o   14.700   0.6781   15.030   0.8760   14.370   1.0350 0.6665000 1.356000 
1 1 1   28   20   13 o   16.810   0.6164   17.310   0.7972   16.310   0.9403 1.002000 1.233000 
1 1 1   28   20   14 o   10.390   0.8410   10.630   1.1070   10.150   1.2660 0.4839000 1.682000 
1 1 1   28   20   15 o   7.3180   1.2030   7.4830   1.6440   7.1520   1.7570 0.3305000 2.407000 
1 1 1   28   20   16 o   4.8280   1.2790   3.5450   1.6250   6.1100   1.9750 -2.565000 2.557000 
1 1 1   28   20   17 o   4.9690   1.3610   4.5750   1.8430   5.3620   2.0030 -0.7866000 2.722000 
1 1 1   28   20   18 o   4.7650   1.3030   4.0150   1.7340   5.5150   1.9450 -1.500000 2.606000 
1 1 1   28   20   19 o   10.940   0.8868   9.3250   1.3780   12.550   1.1160 -3.227000 1.774000 
1 1 1   28   20   20 f   6.0350   1.3340   4.9950   1.8460   7.0740   1.9270 -2.079000 2.668000 
1 1 1   28   20   21 o   3.8210   1.2010   3.1410   1.5010   4.5010   1.8760 -1.359000 2.402000 
1 1 1   28   20   22 o   3.7390   1.2430   3.8900   1.8070   3.5880   1.7070 0.3020000 2.485000 
1 1 1   28   20   23 o   4.0340   1.2960   3.7870   1.7670   4.2810   1.8980 -0.4941000 2.593000 
1 1 1   28   20   24 o   2.6800   0.9398   2.5150   1.2560   2.8450   1.3980 -0.3305000 1.880000 
1 1 1   28   20   25 o   2.8760   0.9902   3.3100   1.5560   2.4420   1.2250 0.8683000 1.980000 
1 1 1   28   22    0 o   27.420   0.4100   28.250   0.5708   26.590   0.5887 1.657000 0.8200000 
1 1 1   28   22    1 o   14.690   0.5682   15.020   0.7438   14.350   0.8592 0.6647000 1.136000 
1 1 1   28   22    2 o   13.390   0.6171   13.660   0.7929   13.110   0.9459 0.5493000 1.234000 
1 1 1   28   22    3 o   4.2820   1.2500   4.0330   1.6430   4.5300   1.8850 -0.4974000 2.501000 
1 1 1   28   22    4 o   8.9230   1.0210   8.7860   1.2120   9.0600   1.6430 -0.2746000 2.041000 
1 1 1   28   22    5 o   19.510   0.6048   19.630   0.5882   19.390   1.0570 0.2464000 1.210000 
1 1 1   28   22    6 o   10.600   1.1760   12.290   0.8656   8.9060   2.1870 3.387000 2.352000 
1 1 1   28   22    7 o   21.200   0.5984   22.410   0.5399   19.990   1.0680 2.417000 1.197000 
1 1 1   28   22    8 o   7.9800   1.3470   8.8890   1.2040   7.0710   2.4100 1.818000 2.694000 
1 1 1   28   22    9 o   10.470   1.2250   10.910   1.1220   10.020   2.1770 0.8833000 2.449000 
1 1 1   28   22   10 o   4.6110   1.4000   3.4090   1.5580   5.8140   2.3270 -2.404000 2.800000 
1 1 1   28   22   11 o   9.1510   1.2900   12.070   0.9556   6.2350   2.3960 5.831000 2.579000 
1 1 1   28   22   12 o   4.8060   1.4220   4.2430   1.7150   5.3700   2.2690 -1.128000 2.845000 
1 1 1   28   22   13 o   5.0730   1.4600   5.5340   1.9170   4.6130   2.2010 0.9208000 2.919000 
1 1 1   28   22   14 f   5.2780   1.6300   4.0710   1.7610   6.4850   2.7430 -2.414000 3.259000 
1 1 1   28   22   15 o   10.210   1.5290   10.220   1.3640   10.200   2.7370 0.2423000E-01 3.058000 
1 1 1   28   22   16 o   4.1300   1.2800   4.5770   1.8300   3.6830   1.7900 0.8942000 2.560000 
1 1 1   28   22   17 o   3.4610   1.1570   3.7080   1.6600   3.2140   1.6120 0.4939000 2.314000 
1 1 1   28   22   18 o   4.9580   1.2680   6.4140   1.8560   3.5030   1.7290 2.911000 2.537000 
1 1 1   28   22   19 o   3.6320   1.2000   3.9070   1.7290   3.3560   1.6640 0.5510000 2.400000 
1 1 1   28   22   20 o   6.7370   1.6790   7.7990   2.1360   5.6750   2.5900 2.124000 3.357000 
1 1 1   28   22   21 o   3.3200   1.1880   3.1510   1.5830   3.4900   1.7730 -0.3396000 2.377000 
1 1 1   28   22   22 o   3.9030   1.2830   3.4520   1.5900   4.3540   2.0140 -0.9017000 2.566000 
1 1 1   28   22   23 o   2.6500   0.9472   2.4000   1.2080   2.9000   1.4590 -0.5002000 1.894000 
1 1 1   28   22   24 o   2.3850   0.8693   2.4100   1.2360   2.3600   1.2230 0.5020000E-01 1.739000 
1 1 1   28   24    0 o   8.3680   0.9845   8.1960   1.4020   8.5410   1.3830 -0.3455000 1.969000 
1 1 1   28   24    1 o   16.750   0.5187   16.810   0.6836   16.690   0.7804 0.1243000 1.037000 
1 1 1   28   24    2 o   12.060   0.7086   12.610   0.8972   11.500   1.0970 1.112000 1.417000 
1 1 1   28   24    3 o   10.610   0.8064   9.5360   1.1910   11.670   1.0870 -2.139000 1.613000 
1 1 1   28   24    4 o   14.500   0.6008   14.420   0.8011   14.590   0.8956 -0.1703000 1.202000 
1 1 1   28   24    5 o   16.530   0.5342   17.390   0.6777   15.680   0.8259 1.701000 1.068000 
1 1 1   28   24    6 o   5.5040   1.3220   6.3900   1.8290   4.6170   1.9090 1.772000 2.644000 
1 1 1   28   24    7 o   4.6630   1.3260   4.7570   1.8370   4.5700   1.9130 0.1871000 2.652000 
1 1 1   28   24    8 o   5.8930   1.2700   6.4350   1.7160   5.3510   1.8740 1.084000 2.541000 
1 1 1   28   24    9 o   4.3160   1.2700   4.9360   1.8920   3.6970   1.6940 1.240000 2.539000 
1 1 1   28   24   10 o   3.6550   1.1800   3.3400   1.5620   3.9710   1.7690 -0.6309000 2.360000 
1 1 1   28   24   11 o   7.2290   1.3380   7.6470   1.8090   6.8110   1.9720 0.8369000 2.676000 
1 1 1   28   24   12 o   13.970   0.6622   13.900   0.9060   14.040   0.9660 -0.1342000 1.324000 
1 1 1   28   24   13 o   3.7640   1.1560   4.5870   1.8180   2.9420   1.4270 1.646000 2.311000 
1 1 1   28   24   14 o   3.8700   1.2110   3.8580   1.6960   3.8820   1.7290 -0.2355000E-01 2.422000 
1 1 1   28   24   15 o   8.0860   1.3050   6.8860   2.0150   9.2870   1.6600 -2.401000 2.611000 
1 1 1   28   24   16 o   4.8060   1.3220   3.9560   1.7380   5.6570   1.9940 -1.701000 2.645000 
1 1 1   28   24   17 o   4.4840   1.3180   4.5010   1.8480   4.4660   1.8800 0.3522000E-01 2.636000 
1 1 1   28   24   18 f   4.6260   1.3550   3.3240   1.5980   5.9280   2.1890 -2.604000 2.710000 
1 1 1   28   24   19 o   2.8870   1.0330   2.5890   1.3240   3.1850   1.5860 -0.5954000 2.066000 
1 1 1   28   24   20 o   3.0160   1.0310   3.1520   1.5030   2.8800   1.4130 0.2716000 2.063000 
1 1 1   28   24   21 f   2.7760   0.9621   3.1110   1.4810   2.4410   1.2280 0.6694000 1.924000 
1 1 1   28   24   22 o   1.8050   0.6656   1.8740   0.9760   1.7360   0.9052 0.1379000 1.331000 
1 1 1   28   26    0 o   11.940   0.9546   12.350   1.4030   11.520   1.2940 0.8364000 1.909000 
1 1 1   28   26    1 o   12.390   1.1360   14.750   1.1500   10.030   1.9600 4.715000 2.273000 
1 1 1   28   26    2 o   5.5800   1.5310   5.2180   2.0460   5.9410   2.2790 -0.7225000 3.063000 
1 1 1   28   26    3 o   7.0760   1.4460   8.7210   1.8770   5.4300   2.2010 3.290000 2.893000 
1 1 1   28   26    4 o   5.2440   1.3580   6.2740   1.9840   4.2140   1.8540 2.061000 2.715000 
1 1 1   28   26    5 o   3.4230   1.1550   3.7190   1.7400   3.1270   1.5190 0.5926000 2.310000 
1 1 1   28   26    6 o   5.4090   1.3990   5.4770   1.9470   5.3400   2.0090 0.1373000 2.798000 
1 1 1   28   26    7 o   7.4750   1.2040   8.4160   1.4850   6.5340   1.8950 1.883000 2.408000 
1 1 1   28   26    8 o   6.9220   1.2430   7.8860   1.5910   5.9570   1.9090 1.929000 2.485000 
1 1 1   28   26    9 o   4.6920   1.3010   4.3020   1.7620   5.0820   1.9130 -0.7799000 2.601000 
1 1 1   28   26   10 o   6.3120   1.3030   5.1270   1.8810   7.4970   1.8020 -2.370000 2.605000 
1 1 1   28   26   11 o   11.500   0.8448   11.380   1.1700   11.610   1.2190 -0.2320000 1.690000 
1 1 1   28   26   12 o   4.7600   1.2830   3.4710   1.6070   6.0480   2.0000 -2.577000 2.566000 
1 1 1   28   26   13 o   2.9790   1.0250   2.6180   1.3010   3.3400   1.5850 -0.7215000 2.050000 
1 1 1   28   26   14 o   4.0700   1.2530   3.8180   1.6990   4.3230   1.8430 -0.5052000 2.507000 
1 1 1   28   26   15 f   4.0400   1.2870   3.5640   1.6790   4.5150   1.9510 -0.9505000 2.574000 
1 1 1   28   26   16 f   2.6040   0.9390   2.3540   1.2000   2.8530   1.4450 -0.4988000 1.878000 
1 1 1   28   26   17 f   4.5940   1.3790   5.9390   2.2630   3.2480   1.5760 2.691000 2.758000 
1 1 1   28   26   18 o   2.5260   0.8932   2.4430   1.2250   2.6100   1.3010 -0.1670000 1.786000 
1 1 1   28   26   19 o   2.8580   0.9845   3.1940   1.5110   2.5220   1.2630 0.6714000 1.969000 
1 1 1   28   28    0 o   3.5380   1.1340   3.7640   1.6560   3.3130   1.5500 0.4512000 2.268000 
1 1 1   28   28    1 o   11.500   0.8167   11.000   1.1670   12.010   1.1430 -1.004000 1.633000 
1 1 1   28   28    2 o   6.9850   1.2840   6.2490   1.8760   7.7220   1.7540 -1.473000 2.568000 
1 1 1   28   28    3 o   9.8840   0.9824   8.7350   1.5140   11.030   1.2530 -2.298000 1.965000 
1 1 1   28   28    4 o   4.7780   1.3120   5.0230   1.8640   4.5330   1.8460 0.4905000 2.623000 
1 1 1   28   28    5 o   6.0970   1.3470   6.4110   1.8640   5.7820   1.9440 0.6287000 2.693000 
1 1 1   28   28    6 o   3.4460   1.1280   3.4690   1.5930   3.4230   1.5970 0.4594000E-01 2.256000 
1 1 1   28   28    7 o   6.1590   1.3470   5.8470   1.8990   6.4710   1.9110 -0.6239000 2.694000 
1 1 1   28   28    8 o   3.2550   1.0840   3.6800   1.6680   2.8310   1.3850 0.8488000 2.168000 
1 1 1   28   28    9 o   5.3580   1.3560   5.4560   1.9240   5.2610   1.9120 0.1948000 2.712000 
1 1 1   28   28   10 o   3.8700   1.2460   3.8970   1.7660   3.8430   1.7590 0.5418000E-01 2.493000 
1 1 1   28   28   11 o   3.1750   1.0810   2.6260   1.3140   3.7240   1.7170 -1.098000 2.162000 
1 1 1   28   28   12 o   2.9970   1.0390   3.3150   1.5860   2.6790   1.3420 0.6357000 2.078000 
1 1 1   28   28   13 o   3.7920   1.1980   3.9250   1.7170   3.6590   1.6720 0.2652000 2.397000 
1 1 1   28   28   14 o   2.9990   1.0440   3.1000   1.5150   2.8970   1.4380 0.2032000 2.089000 
1 1 1   28   28   15 o   2.4190   0.8676   2.4370   1.2340   2.4020   1.2190 0.3418000E-01 1.735000 
1 1 1   28   28   16 o   2.1760   0.7822   2.1040   1.0710   2.2490   1.1400 -0.1453000 1.564000 
1 1 1   28   30    0 f   3.1940   1.0750   3.4190   1.5740   2.9700   1.4660 0.4491000 2.151000 
1 1 1   28   30    1 o   5.4360   1.3330   4.5110   1.8310   6.3600   1.9370 -1.849000 2.665000 
1 1 1   28   30    2 f   4.0570   1.2890   4.1120   1.8280   4.0020   1.8190 0.1097000 2.579000 
1 1 1   28   30    3 o   6.5980   1.4270   7.5130   1.9440   5.6820   2.0900 1.831000 2.854000 
1 1 1   28   30    4 o   9.5110   1.1920   8.8950   1.7540   10.130   1.6150 -1.232000 2.384000 
1 1 1   28   30    5 o   3.2340   1.0980   3.8080   1.7420   2.6610   1.3370 1.147000 2.196000 
1 1 1   28   30    6 o   2.9120   1.0190   2.4000   1.2170   3.4250   1.6350 -1.025000 2.038000 
1 1 1   28   30    7 o   3.7650   1.1770   4.6200   1.8630   2.9100   1.4400 1.710000 2.355000 
1 1 1   28   30    8 o   2.7160   0.9459   2.7900   1.3650   2.6430   1.3100 0.1475000 1.892000 
1 1 1   28   30    9 o   3.3400   1.0890   3.8310   1.6820   2.8490   1.3840 0.9822000 2.178000 
1 1 1   28   30   10 o   3.7480   1.2180   4.2100   1.8510   3.2870   1.5830 0.9231000 2.436000 
1 1 1   28   30   11 o   2.3150   0.8340   2.5050   1.2630   2.1250   1.0890 0.3799000 1.668000 
1 1 1   28   30   12 o   2.5160   0.8939   2.7260   1.3580   2.3060   1.1630 0.4199000 1.788000 
1 1 1   28   32    0 o   3.1710   1.0530   3.4610   1.5810   2.8810   1.3930 0.5803000 2.107000 
1 1 1   28   32    1 o   3.0140   1.0170   2.9450   1.4120   3.0840   1.4650 -0.1389000 2.035000 
1 1 1   28   32    2 o   2.8890   0.9872   2.5020   1.2450   3.2750   1.5320 -0.7733000 1.974000 
1 1 1   28   32    3 o   3.6090   1.1510   3.5200   1.5990   3.6980   1.6570 -0.1774000 2.303000 
1 1 1   28   32    4 o   2.6860   0.9330   2.4710   1.2300   2.9010   1.4040 -0.4305000 1.866000 
1 1 1   28   32    5 o   3.2610   1.1080   3.2210   1.5470   3.3020   1.5850 -0.8085000E-01 2.215000 
1 1 1   28   32    6 o   2.4170   0.8707   2.5340   1.2880   2.3000   1.1720 0.2346000 1.741000 
1 1 1   29    1    0 o   26.350   0.2566   26.750   0.3621   25.960   0.3636 0.7916000 0.5131000 
1 1 1   29    1    1 o   62.650   0.4352   62.530   0.6569   62.760   0.5709 -0.2318000 0.8703000 
1 1 1   29    1    2 o   71.120   0.4548   71.290   0.6447   70.940   0.6417 0.3496000 0.9096000 
1 1 1   29    1    3 o   16.190   0.2783   15.760   0.4075   16.620   0.3792 -0.8582000 0.5566000 
1 1 1   29    1    4 o   19.980   0.2641   19.930   0.3806   20.030   0.3663 -0.1081000 0.5282000 
1 1 1   29    1    5 o   35.510   0.3164   35.590   0.4537   35.420   0.4411 0.1696000 0.6328000 
1 1 1   29    1    6 o  10.0000   0.6021   10.300   0.7931   9.7080   0.9060 0.5916000 1.204000 
1 1 1   29    1    7 f   52.670   0.3557   52.400   0.5006   52.940   0.5055 -0.5346000 0.7114000 
1 1 1   29    1    8 o   28.350   0.2819   28.570   0.3965   28.140   0.4007 0.4243000 0.5638000 
1 1 1   29    1    9 o   26.950   0.2988   26.890   0.4210   27.000   0.4242 -0.1120000 0.5977000 
1 1 1   29    1   10 o   59.140   0.4001   59.040   0.5641   59.250   0.5675 -0.2103000 0.8001000 
1 1 1   29    1   11 o   18.580   0.4037   17.860   0.5736   19.300   0.5682 -1.441000 0.8074000 
1 1 1   29    1   12 o   4.6430   1.1860   4.0400   1.6330   5.2450   1.7200 -1.205000 2.372000 
1 1 1   29    1   13 o   6.4210   1.1530   6.1600   1.6380   6.6810   1.6240 -0.5207000 2.307000 
1 1 1   29    1   14 o   26.290   0.3960   26.040   0.5354   26.540   0.5836 -0.5035000 0.7920000 
1 1 1   29    1   15 o   7.9800   1.2750   9.1730   1.5700   6.7860   2.0080 2.387000 2.549000 
1 1 1   29    1   16 o   25.020   0.3569   25.510   0.5002   24.520   0.5092 0.9905000 0.7138000 
1 1 1   29    1   17 o   15.230   0.5054   15.310   0.7139   15.140   0.7155 0.1700000 1.011000 
1 1 1   29    1   18 o   14.080   0.5333   13.880   0.7536   14.280   0.7547 -0.3985000 1.067000 
1 1 1   29    1   19 o   7.9260   1.1580   8.4430   1.6380   7.4080   1.6370 1.035000 2.316000 
1 1 1   29    1   20 o   12.110   0.9709   10.430   1.5500   13.800   1.1690 -3.368000 1.942000 
1 1 1   29    1   21 o   6.4120   1.1210   6.8450   1.5270   5.9780   1.6420 0.8665000 2.243000 
1 1 1   29    1   22 o   9.3740   0.7980   8.9650   1.1760   9.7830   1.0790 -0.8181000 1.596000 
1 1 1   29    1   23 o   3.9730   1.1390   3.4010   1.5200   4.5450   1.6980 -1.144000 2.279000 
1 1 1   29    1   24 o   14.170   0.5680   13.830   0.8065   14.500   0.8002 -0.6693000 1.136000 
1 1 1   29    1   25 o   8.1040   1.0240   7.1000   1.5960   9.1080   1.2830 -2.008000 2.047000 
1 1 1   29    1   26 o   3.9400   1.1860   3.7010   1.6280   4.1790   1.7260 -0.4780000 2.373000 
1 1 1   29    1   27 o   7.4940   1.4920   8.3820   2.0380   6.6070   2.1800 1.775000 2.985000 
1 1 1   29    1   28 o   4.1990   1.3130   4.3240   1.8920   4.0740   1.8200 0.2498000 2.625000 
1 1 1   29    1   29 o   3.7350   1.1670   4.4430   1.8170   3.0280   1.4650 1.416000 2.334000 
1 1 1   29    1   30 o   4.0070   1.2340   3.5110   1.6240   4.5030   1.8600 -0.9924000 2.469000 
1 1 1   29    1   31 o   2.8050   1.4190   2.8050   1.4190  ?   ?       ?      ? 
1 1 1   29    1   32 o   2.5520   0.9110   2.5010   1.2640   2.6020   1.3120 -0.1017000 1.822000 
1 1 1   29    3    0 o   67.600   0.5328   67.730   0.8725   67.480   0.6118 0.2503000 1.066000 
1 1 1   29    3    1 o   20.060   0.3352   19.840   0.5558   20.290   0.3750 -0.4484000 0.6705000 
1 1 1   29    3    2 o   45.000   0.4391   43.640   0.6146   46.350   0.6272 -2.710000 0.8781000 
1 1 1   29    3    3 o   37.300   0.4677   37.250   0.8273   37.360   0.4363 -0.1093000 0.9353000 
1 1 1   29    3    4 o   12.810   0.7792   11.580   1.4770   14.040   0.4965 -2.454000 1.558000 
1 1 1   29    3    5 o   19.760   0.3657   20.060   0.6171   19.460   0.3926 0.6035000 0.7314000 
1 1 1   29    3    6 o   8.8980   0.7399   7.8410   1.1280   9.9540   0.9582 -2.113000 1.480000 
1 1 1   29    3    7 o   59.070   0.3933   58.610   0.5525   59.530   0.5599 -0.9191000 0.7866000 
1 1 1   29    3    8 o   58.450   0.3918   58.540   0.5541   58.350   0.5539 0.1896000 0.7835000 
1 1 1   29    3    9 o   17.870   0.3740   18.430   0.5124   17.320   0.5449 1.110000 0.7480000 
1 1 1   29    3   10 o   32.950   0.3082   33.410   0.4377   32.480   0.4341 0.9359000 0.6165000 
1 1 1   29    3   11 o   21.940   0.3684   21.440   0.5259   22.440   0.5162 -1.002000 0.7369000 
1 1 1   29    3   12 o   25.450   0.3485   26.170   0.4818   24.740   0.5037 1.431000 0.6971000 
1 1 1   29    3   13 o   20.110   0.4120   20.370   0.5750   19.850   0.5903 0.5241000 0.8240000 
1 1 1   29    3   14 o   15.500   0.5486   15.800   0.7350   15.200   0.8146 0.5940000 1.097000 
1 1 1   29    3   15 o   24.690   0.4252   24.580   0.6145   24.790   0.5879 -0.2077000 0.8504000 
1 1 1   29    3   16 o   6.2800   1.1690   5.7550   1.7100   6.8040   1.5940 -1.049000 2.338000 
1 1 1   29    3   17 o   12.230   0.6236   12.790   0.8080   11.680   0.9501 1.116000 1.247000 
1 1 1   29    3   18 o   28.250   0.3391   28.100   0.4747   28.390   0.4843 -0.2854000 0.6782000 
1 1 1   29    3   19 o   3.4490   1.1150   3.5690   1.6200   3.3300   1.5320 0.2398000 2.229000 
1 1 1   29    3   20 o   14.160   0.6421   14.530   0.8236   13.800   0.9854 0.7291000 1.284000 
1 1 1   29    3   21 o   5.0030   1.1930   5.5350   1.6700   4.4720   1.7030 1.063000 2.385000 
1 1 1   29    3   22 f   5.5510   1.1930   5.1330   1.6990   5.9690   1.6760 -0.8365000 2.387000 
1 1 1   29    3   23 o   8.5680   0.9320   7.1050   1.5150   10.030   1.0850 -2.926000 1.864000 
1 1 1   29    3   24 o   3.8000   1.1190   3.0330   1.4160   4.5660   1.7340 -1.532000 2.239000 
1 1 1   29    3   25 o   5.1570   1.0370   2.7560   1.3290   7.5580   1.5940 -4.802000 2.075000 
1 1 1   29    3   26 o   6.6950   1.1940   5.4330   1.8150   7.9560   1.5510 -2.524000 2.387000 
1 1 1   29    3   27 o   5.6360   1.4950   6.3980   2.1970   4.8730   2.0290 1.525000 2.990000 
1 1 1   29    3   28 o   3.7940   1.2270   4.2110   1.8580   3.3780   1.6020 0.8334000 2.453000 
1 1 1   29    3   29 o   3.5600   1.1600   3.8150   1.7070   3.3060   1.5700 0.5084000 2.319000 
1 1 1   29    3   30 o   3.4280   1.1330   3.7390   1.6940   3.1180   1.5040 0.6211000 2.265000 
1 1 1   29    3   31 o   3.3120   1.1340   3.3560   1.6190   3.2670   1.5900 0.8895000E-01 2.269000 
1 1 1   29    3   32 o   3.0620   1.0550   3.5010   1.6480   2.6230   1.3170 0.8782000 2.110000 
1 1 1   29    5    0 f   27.690   0.4050  ?   ?    27.690   0.4050      ?      ? 
1 1 1   29    5    1 o   28.580   0.3292   28.400   0.4657   28.750   0.4656 -0.3498000 0.6585000 
1 1 1   29    5    2 o   34.280   0.2595   34.350   0.3682   34.210   0.3657 0.1329000 0.5189000 
1 1 1   29    5    3 o   47.190   0.3213   46.990   0.4537   47.390   0.4551 -0.4007000 0.6426000 
1 1 1   29    5    4 o   60.620   0.3977   60.480   0.5622   60.750   0.5627 -0.2684000 0.7954000 
1 1 1   29    5    5 o   10.070   0.7477   9.7260   1.3430   10.420   0.6568 -0.6912000 1.495000 
1 1 1   29    5    6 o   6.4880   1.2070   6.9250   1.8010   6.0510   1.6080 0.8736000 2.414000 
1 1 1   29    5    7 o   40.530   0.3889   40.130   0.6416   40.930   0.4396 -0.7961000 0.7777000 
1 1 1   29    5    8 o   41.760   0.4028   41.690   0.6665   41.820   0.4526 -0.1343000 0.8056000 
1 1 1   29    5    9 o   27.740   0.4163   28.410   0.7039   27.060   0.4448 1.355000 0.8326000 
1 1 1   29    5   10 o   19.170   0.5413   18.640   0.9272   19.710   0.5586 -1.080000 1.083000 
1 1 1   29    5   11 o   16.120   0.6105   16.920   0.9823   15.310   0.7252 1.605000 1.221000 
1 1 1   29    5   12 o   34.410   0.4759  ?   ?    34.410   0.4759      ?      ? 
1 1 1   29    5   13 o   19.890   0.6430   19.200   1.0970   20.590   0.6713 -1.395000 1.286000 
1 1 1   29    5   14 o   33.580   0.4316   33.080   0.7105   34.080   0.4903 -0.9973000 0.8633000 
1 1 1   29    5   15 o   13.000   0.8003   13.470   1.2260   12.530   1.0290 0.9436000 1.601000 
1 1 1   29    5   16 o   19.020   0.5518   17.970   0.9227   20.070   0.6054 -2.100000 1.104000 
1 1 1   29    5   17 o   6.8790   1.2600   6.2300   2.0410   7.5270   1.4790 -1.297000 2.520000 
1 1 1   29    5   18 o   15.190   1.1670   14.990   2.1910   15.390   0.8021 -0.3990000 2.334000 
1 1 1   29    5   19 o   11.300   0.8829   10.100   1.5000   12.510   0.9310 -2.414000 1.766000 
1 1 1   29    5   20 o   5.9640   1.3890   5.4570   1.9920   6.4700   1.9370 -1.014000 2.778000 
1 1 1   29    5   21 o   11.360   0.6796   10.760   1.0080   11.960   0.9114 -1.206000 1.359000 
1 1 1   29    5   22 o   4.6040   1.1690   5.5040   1.7110   3.7040   1.5940 1.799000 2.338000 
1 1 1   29    5   23 o   4.5670   1.2180   4.4090   1.6940   4.7250   1.7520 -0.3162000 2.437000 
1 1 1   29    5   24 o   6.1010   1.2220   5.7410   1.7650   6.4610   1.6910 -0.7202000 2.444000 
1 1 1   29    5   25 o   5.8720   1.2730   6.2920   1.7810   5.4530   1.8180 0.8398000 2.545000 
1 1 1   29    5   26 o   8.5490   1.1410   7.4900   1.7430   9.6080   1.4720 -2.118000 2.281000 
1 1 1   29    5   27 o   4.7650   1.4240   4.0690   1.8730   5.4620   2.1450 -1.393000 2.847000 
1 1 1   29    5   28 f   3.6500   1.1920   4.3380   1.8990   2.9620   1.4410 1.376000 2.384000 
1 1 1   29    5   29 o   3.1230   1.0590   2.9600   1.4370   3.2850   1.5560 -0.3253000 2.118000 
1 1 1   29    5   30 o   3.2350   1.0920   3.0060   1.4600   3.4640   1.6240 -0.4584000 2.184000 
1 1 1   29    5   31 o   2.7040   0.9697   2.5700   1.3100   2.8380   1.4300 -0.2671000 1.939000 
1 1 1   29    5   32 o   2.5880   0.9223   2.3600   1.2010   2.8150   1.4000 -0.4547000 1.845000 
1 1 1   29    7    0 o   67.880   0.5078   67.340   0.7122   68.430   0.7240 -1.092000 1.016000 
1 1 1   29    7    1 o   56.080   0.3698   56.330   0.5240   55.820   0.5220 0.5122000 0.7396000 
1 1 1   29    7    2 o   70.300   0.4533   70.350   0.6404   70.260   0.6416 0.9081000E-01 0.9065000 
1 1 1   29    7    3 o   50.570   0.3455   50.370   0.4863   50.760   0.4910 -0.3830000 0.6910000 
1 1 1   29    7    4 o   64.200   0.4216   64.360   0.5968   64.040   0.5955 0.3230000 0.8431000 
1 1 1   29    7    5 o   37.200   0.2960   36.900   0.4160   37.510   0.4211 -0.6056000 0.5920000 
1 1 1   29    7    6 o   14.260   0.5212   14.610   0.6661   13.910   0.8017 0.7010000 1.042000 
1 1 1   29    7    7 o   44.040   0.3300   44.000   0.4655   44.070   0.4679 -0.6890000E-01 0.6601000 
1 1 1   29    7    8 o   16.390   0.4255   17.190   0.5632   15.590   0.6379 1.603000 0.8510000 
1 1 1   29    7    9 o   17.280   0.4278   17.740   0.5820   16.830   0.6271 0.9077000 0.8555000 
1 1 1   29    7   10 o   30.410   0.3277   30.260   0.4610   30.570   0.4658 -0.3073000 0.6553000 
1 1 1   29    7   11 o   20.800   0.4364   20.280   0.6153   21.330   0.6192 -1.048000 0.8729000 
1 1 1   29    7   12 o   20.910   0.4488   20.460   0.6298   21.350   0.6395 -0.8970000 0.8976000 
1 1 1   29    7   13 o   35.940   0.3394   35.830   0.4765   36.040   0.4833 -0.2120000 0.6787000 
1 1 1   29    7   14 o   34.620   0.4003   33.990   0.5765   35.250   0.5556 -1.262000 0.8007000 
1 1 1   29    7   15 o   22.880   0.4575   22.820   0.6688   22.950   0.6243 -0.1317000 0.9150000 
1 1 1   29    7   16 f   22.720   0.3911   22.320   0.5510   23.110   0.5553 -0.7897000 0.7823000 
1 1 1   29    7   17 o   8.3560   1.1090   9.2220   1.4810   7.4900   1.6520 1.732000 2.219000 
1 1 1   29    7   18 o   6.0480   1.2250   5.0050   1.7850   7.0900   1.6790 -2.085000 2.451000 
1 1 1   29    7   19 o   5.0680   1.3140   4.2880   1.7440   5.8480   1.9660 -1.560000 2.628000 
1 1 1   29    7   20 o   3.8740   1.2250   4.0100   1.7720   3.7380   1.6910 0.2719000 2.450000 
1 1 1   29    7   21 o   7.3020   1.2190   6.8850   1.9550   7.7190   1.4560 -0.8333000 2.438000 
1 1 1   29    7   22 o   3.6480   1.1690   4.3580   1.8830   2.9380   1.3850 1.420000 2.337000 
1 1 1   29    7   23 o   4.6520   1.3080   4.6440   1.9510   4.6590   1.7430 -0.1488000E-01 2.616000 
1 1 1   29    7   24 o   3.8180   1.2160   4.3930   1.9110   3.2420   1.5040 1.151000 2.432000 
1 1 1   29    7   25 o   3.5500   1.1740   4.2440   1.8950   2.8560   1.3850 1.388000 2.347000 
1 1 1   29    7   26 o   8.7820   1.4330   7.9180   2.4070   9.6460   1.5540 -1.728000 2.865000 
1 1 1   29    7   27 o   8.5020   1.3390   11.400   1.6850   5.6020   2.0820 5.802000 2.679000 
1 1 1   29    7   28 o   4.1100   1.3090   4.9520   2.1050   3.2670   1.5570 1.685000 2.618000 
1 1 1   29    7   29 o   3.6120   1.1990   3.4240   1.6690   3.8000   1.7220 -0.3762000 2.398000 
1 1 1   29    7   30 f   3.8530   1.2950   3.6000   1.8080   4.1070   1.8550 -0.5071000 2.590000 
1 1 1   29    7   31 o   2.5680   0.9212   2.6230   1.3350   2.5120   1.2700 0.1110000 1.842000 
1 1 1   29    9    0 o   27.820   0.2670   27.670   0.3748   27.980   0.3804 -0.3026000 0.5340000 
1 1 1   29    9    1 o   30.700   0.3057   30.650   0.3783   30.760   0.4803 -0.1101000 0.6114000 
1 1 1   29    9    2 o   36.300   0.3394   34.980   0.4646   37.610   0.4949 -2.633000 0.6788000 
1 1 1   29    9    3 o   11.710   0.4813   12.320   0.6044   11.090   0.7491 1.237000 0.9625000 
1 1 1   29    9    4 o   49.520   0.4085   49.060   0.5724   49.980   0.5830 -0.9250000 0.8171000 
1 1 1   29    9    5 o   44.360   0.3908   44.070   0.5472   44.650   0.5582 -0.5804000 0.7817000 
1 1 1   29    9    6 o   28.200   0.3126   28.470   0.4340   27.920   0.4499 0.5547000 0.6251000 
1 1 1   29    9    7 o   23.380   0.3910   23.840   0.4611   22.910   0.6316 0.9327000 0.7820000 
1 1 1   29    9    8 o   15.250   0.4967   15.790   0.6426   14.700   0.7576 1.086000 0.9935000 
1 1 1   29    9    9 o   14.810   0.5535   13.770   0.7912   15.840   0.7743 -2.069000 1.107000 
1 1 1   29    9   10 o   8.9680   0.9585   9.2250   1.2530   8.7120   1.4510 0.5129000 1.917000 
1 1 1   29    9   11 o   38.600   0.3429   38.570   0.4793   38.640   0.4904 -0.7402000E-01 0.6858000 
1 1 1   29    9   12 o   20.040   0.4258   19.890   0.5893   20.180   0.6148 -0.2921000 0.8516000 
1 1 1   29    9   13 o   13.640   0.5943   14.530   0.7567   12.750   0.9167 1.772000 1.189000 
1 1 1   29    9   14 o   24.430   0.4541   23.930   0.6763   24.930   0.6061 -1.002000 0.9082000 
1 1 1   29    9   15 o   19.670   0.4270   20.140   0.5877   19.200   0.6197 0.9363000 0.8541000 
1 1 1   29    9   16 o   10.110   0.8828   11.150   1.1340   9.0760   1.3530 2.070000 1.766000 
1 1 1   29    9   17 o   10.600   0.7199   9.3860   1.1040   11.810   0.9236 -2.422000 1.440000 
1 1 1   29    9   18 o   3.0470   0.9776   3.7900   1.5820   2.3040   1.1500 1.486000 1.955000 
1 1 1   29    9   19 o   3.6800   1.1580   2.9520   1.3980   4.4090   1.8460 -1.457000 2.316000 
1 1 1   29    9   20 o   3.3850   1.0670   3.2980   1.4790   3.4720   1.5380 -0.1747000 2.134000 
1 1 1   29    9   21 o   4.0600   1.1490   4.4650   1.6620   3.6540   1.5860 0.8110000 2.297000 
1 1 1   29    9   22 o   6.3680   1.1210   7.8890   1.3760   4.8460   1.7710 3.043000 2.243000 
1 1 1   29    9   23 o   2.5180   0.8757   2.5990   1.2660   2.4360   1.2110 0.1628000 1.751000 
1 1 1   29    9   24 o   10.560   0.8142   11.350   1.0280   9.7750   1.2630 1.578000 1.628000 
1 1 1   29    9   25 o   8.9530   1.1400   10.260   1.3340   7.6460   1.8490 2.614000 2.280000 
1 1 1   29    9   26 o   4.3950   1.2840   4.3320   1.7890   4.4580   1.8430 -0.1259000 2.569000 
1 1 1   29    9   27 o   3.4190   1.1500   3.6450   1.6970   3.1940   1.5520 0.4512000 2.300000 
1 1 1   29    9   28 o   3.7840   1.1930   3.2020   1.5150   4.3660   1.8430 -1.163000 2.386000 
1 1 1   29    9   29 o   3.8430   1.2460   4.6300   1.9870   3.0560   1.5040 1.573000 2.491000 
1 1 1   29    9   30 o   2.5680   0.9178   2.6850   1.3520   2.4510   1.2420 0.2340000 1.836000 
1 1 1   29    9   31 o   2.1060   0.7652   2.2190   1.1350   1.9930   1.0270 0.2267000 1.530000 
1 1 1   29   11    0 o   95.550   0.6117   95.270   0.8617   95.830   0.8683 -0.5612000 1.223000 
1 1 1   29   11    1 f   60.960   0.4095   61.260   0.5801   60.660   0.5783 0.6015000 0.8191000 
1 1 1   29   11    2 o   54.770   0.3796   54.500   0.5317   55.030   0.5419 -0.5359000 0.7592000 
1 1 1   29   11    3 o   47.980   0.4076   47.930   0.5686   48.020   0.5841 -0.8962000E-01 0.8151000 
1 1 1   29   11    4 f   51.300   0.4262   51.150   0.5931   51.450   0.6123 -0.2972000 0.8524000 
1 1 1   29   11    5 o   21.680   0.3697   21.190   0.5077   22.160   0.5375 -0.9635000 0.7393000 
1 1 1   29   11    6 o   21.690   0.3803   21.870   0.5172   21.510   0.5576 0.3538000 0.7605000 
1 1 1   29   11    7 o   28.380   0.3684   28.570   0.5044   28.180   0.5371 0.3849000 0.7368000 
1 1 1   29   11    8 o   29.500   0.3782   29.070   0.5226   29.930   0.5467 -0.8577000 0.7563000 
1 1 1   29   11    9 o   23.240   0.3968   23.200   0.5449   23.280   0.5769 -0.8141000E-01 0.7935000 
1 1 1   29   11   10 o   14.870   0.5494   14.860   0.7566   14.870   0.7969 -0.1481000E-01 1.099000 
1 1 1   29   11   11 o   21.520   0.4125   21.880   0.5646   21.170   0.6015 0.7083000 0.8250000 
1 1 1   29   11   12 o   31.480   0.3480   31.670   0.4866   31.300   0.4977 0.3710000 0.6960000 
1 1 1   29   11   13 o   4.9580   1.3230   4.1740   1.8110   5.7410   1.9300 -1.567000 2.646000 
1 1 1   29   11   14 o   9.7560   1.1790   9.7930   1.9720   9.7180   1.2920 0.7529000E-01 2.358000 
1 1 1   29   11   15 o   7.6060   1.1380   7.5370   1.5870   7.6760   1.6310 -0.1390000 2.276000 
1 1 1   29   11   16 o   6.8480   1.1300   7.0700   1.5190   6.6250   1.6730 0.4448000 2.260000 
1 1 1   29   11   17 o   7.0050   1.1160   6.9090   1.5270   7.1010   1.6270 -0.1919000 2.232000 
1 1 1   29   11   18 o   5.7630   1.3110   6.4090   1.7520   5.1170   1.9510 1.292000 2.622000 
1 1 1   29   11   19 o   3.9310   1.2090   3.7370   1.6190   4.1250   1.7970 -0.3889000 2.419000 
1 1 1   29   11   20 o   3.1970   1.0350   3.0380   1.4080   3.3560   1.5170 -0.3180000 2.070000 
1 1 1   29   11   21 o   5.8990   1.2220   6.4000   1.6390   5.3970   1.8120 1.003000 2.443000 
1 1 1   29   11   22 o   3.7740   1.1490   4.0660   1.6770   3.4830   1.5720 0.5828000 2.299000 
1 1 1   29   11   23 o   5.9470   1.1960   7.3120   1.5780   4.5820   1.7970 2.730000 2.391000 
1 1 1   29   11   24 o   11.400   0.9783   13.940   0.9552   8.8710   1.7080 5.067000 1.957000 
1 1 1   29   11   25 o   5.0890   1.3420   4.9200   1.8460   5.2580   1.9480 -0.3381000 2.683000 
1 1 1   29   11   26 o   3.8460   1.2330   2.9470   1.4580   4.7450   1.9890 -1.797000 2.466000 
1 1 1   29   11   27 o   3.2580   1.1070   3.4310   1.6280   3.0850   1.5020 0.3457000 2.214000 
1 1 1   29   11   28 o   3.2560   1.0990   3.2740   1.5540   3.2390   1.5540 0.3454000E-01 2.198000 
1 1 1   29   11   29 o   3.3130   1.1360   3.4210   1.6530   3.2050   1.5590 0.2161000 2.272000 
1 1 1   29   11   30 o   2.2670   0.8228   2.5870   1.3040   1.9470   1.0040 0.6405000 1.646000 
1 1 1   29   13    0 o   53.600   0.4397   53.700   0.6145   53.500   0.6291 0.2038000 0.8794000 
1 1 1   29   13    1 o   48.430   0.4161   48.500   0.5788   48.350   0.5978 0.1579000 0.8321000 
1 1 1   29   13    2 o   20.010   0.4505   20.110   0.6082   19.920   0.6648 0.1874000 0.9010000 
1 1 1   29   13    3 o   16.940   0.5094   16.650   0.6934   17.230   0.7465 -0.5812000 1.019000 
1 1 1   29   13    4 f   14.480   0.5968   14.000   0.8210   14.970   0.8663 -0.9669000 1.194000 
1 1 1   29   13    5 o   43.400   0.3953   42.810   0.5481   43.990   0.5696 -1.175000 0.7905000 
1 1 1   29   13    6 o   16.360   0.5091   16.870   0.6683   15.860   0.7683 1.009000 1.018000 
1 1 1   29   13    7 o   10.500   0.7803   10.650   1.0560   10.350   1.1490 0.3052000 1.561000 
1 1 1   29   13    8 o   20.670   0.4308   20.310   0.5970   21.040   0.6211 -0.7257000 0.8615000 
1 1 1   29   13    9 o   38.040   0.3495   37.880   0.4851   38.210   0.5033 -0.3297000 0.6990000 
1 1 1   29   13   10 o   4.4240   1.2250   4.3910   1.7060   4.4580   1.7590 -0.6666000E-01 2.451000 
1 1 1   29   13   11 o   30.740   0.3458   30.270   0.4787   31.200   0.4992 -0.9312000 0.6917000 
1 1 1   29   13   12 o   7.0380   1.4840   5.7850   2.2540   8.2920   1.9320 -2.507000 2.969000 
1 1 1   29   13   13 o   6.3930   1.3190   6.1960   1.8660   6.5900   1.8640 -0.3941000 2.638000 
1 1 1   29   13   14 o   4.5000   1.1890   3.8070   1.6040   5.1920   1.7560 -1.385000 2.379000 
1 1 1   29   13   15 o   5.1410   1.2130   5.6350   1.6790   4.6470   1.7520 0.9876000 2.427000 
1 1 1   29   13   16 o   5.0530   1.1820   3.8360   1.6020   6.2700   1.7390 -2.434000 2.364000 
1 1 1   29   13   17 o   18.400   0.6839   20.300   0.6559   16.500   1.2000 3.799000 1.368000 
1 1 1   29   13   18 o   7.3520   1.2240   6.4690   1.7580   8.2360   1.7040 -1.767000 2.449000 
1 1 1   29   13   19 o   4.4770   1.1550   3.2510   1.4740   5.7040   1.7800 -2.453000 2.311000 
1 1 1   29   13   20 o   5.2600   1.2620   5.1320   1.7530   5.3890   1.8160 -0.2564000 2.524000 
1 1 1   29   13   21 o   5.2330   1.2790   4.7590   1.7550   5.7070   1.8600 -0.9481000 2.557000 
1 1 1   29   13   22 o   5.4500   1.2910   4.7350   1.7830   6.1650   1.8680 -1.430000 2.582000 
1 1 1   29   13   23 o   5.6020   1.2950   3.9410   1.7150   7.2640   1.9410 -3.323000 2.590000 
1 1 1   29   13   24 f   4.4170   1.2830   4.3260   1.7650   4.5070   1.8630 -0.1803000 2.566000 
1 1 1   29   13   25 o   7.1090   1.2870   8.3730   1.6250   5.8450   1.9950 2.528000 2.573000 
1 1 1   29   13   26 o   4.7280   1.3750   3.7010   1.7320   5.7550   2.1370 -2.054000 2.750000 
1 1 1   29   13   27 o   3.0520   1.0470   2.8570   1.3980   3.2470   1.5590 -0.3897000 2.094000 
1 1 1   29   13   28 f   3.9580   1.2820   3.6440   1.7170   4.2710   1.9060 -0.6272000 2.565000 
1 1 1   29   13   29 o   2.4930   0.8841   2.7850   1.3690   2.2020   1.1190 0.5823000 1.768000 
1 1 1   29   13   30 o   2.2070   1.1440   2.2070   1.1440  ?   ?       ?      ? 
1 1 1   29   15    0 o   14.940   0.5759   14.350   0.7747   15.540   0.8524 -1.195000 1.152000 
1 1 1   29   15    1 o   16.970   0.4960   16.570   0.6882   17.370   0.7144 -0.8030000 0.9919000 
1 1 1   29   15    2 o   34.050   0.3408   34.110   0.4726   33.990   0.4912 0.1189000 0.6817000 
1 1 1   29   15    3 o   25.430   0.3778   25.210   0.5180   25.660   0.5501 -0.4511000 0.7556000 
1 1 1   29   15    4 o   9.6450   0.8675   9.7150   1.1410   9.5760   1.3070 0.1387000 1.735000 
1 1 1   29   15    5 o   21.360   0.4254   20.900   0.5852   21.830   0.6175 -0.9297000 0.8507000 
1 1 1   29   15    6 o   32.350   0.3487   32.210   0.4766   32.480   0.5091 -0.2668000 0.6973000 
1 1 1   29   15    7 o   21.980   0.4061   21.090   0.5618   22.870   0.5866 -1.775000 0.8122000 
1 1 1   29   15    8 o   11.780   0.6924   11.070   1.0040   12.490   0.9538 -1.427000 1.385000 
1 1 1   29   15    9 o   14.640   0.6332   14.650   0.8659   14.630   0.9242 0.2362000E-01 1.266000 
1 1 1   29   15   10 o   29.910   0.5369   29.230   0.8088   30.590   0.7065 -1.355000 1.074000 
1 1 1   29   15   11 o   4.8720   1.4480   5.5830   2.2260   4.1610   1.8530 1.421000 2.897000 
1 1 1   29   15   12 o   7.4190   1.0890   7.1970   1.5070   7.6410   1.5710 -0.4439000 2.177000 
1 1 1   29   15   13 o   13.220   0.6010   13.480   0.8140   12.960   0.8845 0.5232000 1.202000 
1 1 1   29   15   14 o   18.750   0.4389   19.010   0.6041   18.490   0.6370 0.5226000 0.8779000 
1 1 1   29   15   15 o   7.9040   1.0080   6.8960   1.5360   8.9120   1.3060 -2.016000 2.016000 
1 1 1   29   15   16 o   14.670   0.6652   14.230   0.8774   15.100   1.0000 -0.8776000 1.330000 
1 1 1   29   15   17 o   10.730   0.9109   10.780   1.2120   10.690   1.3600 0.9027000E-01 1.822000 
1 1 1   29   15   18 o   4.8240   1.2240   4.2980   1.6750   5.3490   1.7850 -1.050000 2.448000 
1 1 1   29   15   19 o   4.8260   1.2530   5.0920   1.7570   4.5590   1.7870 0.5330000 2.506000 
1 1 1   29   15   20 o   6.3820   1.2580   6.2410   1.7270   6.5240   1.8310 -0.2823000 2.517000 
1 1 1   29   15   21 o   4.6080   1.2980   4.3600   1.7800   4.8560   1.8900 -0.4951000 2.596000 
1 1 1   29   15   22 o   4.3250   1.2910   3.9240   1.7120   4.7260   1.9330 -0.8020000 2.582000 
1 1 1   29   15   23 o   3.5880   1.1400   2.7110   1.3300   4.4660   1.8530 -1.755000 2.281000 
1 1 1   29   15   24 o   3.7360   1.1930   3.8990   1.7160   3.5730   1.6570 0.3265000 2.385000 
1 1 1   29   15   25 o   4.8200   1.3820   3.8720   1.7990   5.7670   2.0990 -1.895000 2.764000 
1 1 1   29   15   26 o   3.6300   1.2060   3.1780   1.5490   4.0830   1.8490 -0.9048000 2.412000 
1 1 1   29   15   27 o   3.8390   1.2360   4.6650   1.9790   3.0130   1.4800 1.652000 2.472000 
1 1 1   29   15   28 o   3.1510   1.0620   2.9610   1.4370   3.3410   1.5640 -0.3800000 2.124000 
1 1 1   29   15   29 o   1.9880   1.0340   1.9880   1.0340  ?   ?       ?      ? 
1 1 1   29   17    0 o   39.930   0.3401   39.980   0.4780   39.880   0.4839 0.9970000E-01 0.6802000 
1 1 1   29   17    1 o   36.000   0.3781   35.660   0.4709   36.330   0.5916 -0.6688000 0.7562000 
1 1 1   29   17    2 o   23.970   0.3834   23.900   0.5232   24.040   0.5605 -0.1432000 0.7668000 
1 1 1   29   17    3 o   14.350   0.5839   14.980   0.7496   13.710   0.8956 1.263000 1.168000 
1 1 1   29   17    4 o   19.710   0.4387   19.470   0.5891   19.950   0.6502 -0.4763000 0.8774000 
1 1 1   29   17    5 o   7.3710   1.2180   6.7350   1.7530   8.0070   1.6910 -1.272000 2.436000 
1 1 1   29   17    6 o   37.350   0.3911   37.010   0.5434   37.690   0.5626 -0.6773000 0.7822000 
1 1 1   29   17    7 o   8.0560   1.1070   7.4460   1.5890   8.6670   1.5420 -1.220000 2.214000 
1 1 1   29   17    8 o   14.940   0.6883   15.120   0.9555   14.770   0.9909 0.3473000 1.377000 
1 1 1   29   17    9 o   21.180   0.5294   20.520   0.7746   21.840   0.7220 -1.314000 1.059000 
1 1 1   29   17   10 f   11.830   0.6879   12.420   0.9059   11.240   1.0350 1.177000 1.376000 
1 1 1   29   17   11 o   13.660   0.5932   13.810   0.8003   13.510   0.8757 0.2978000 1.186000 
1 1 1   29   17   12 o   7.2400   1.0890   6.7090   1.5560   7.7720   1.5240 -1.063000 2.178000 
1 1 1   29   17   13 o   8.8840   0.9009   8.3700   1.2860   9.3990   1.2620 -1.029000 1.802000 
1 1 1   29   17   14 o   6.0110   1.1740   7.1030   1.5080   4.9190   1.8010 2.185000 2.349000 
1 1 1   29   17   15 o   7.5980   1.2150   8.3540   1.4500   6.8410   1.9510 1.513000 2.431000 
1 1 1   29   17   16 o   10.030   0.8087   9.4140   1.1590   10.650   1.1280 -1.238000 1.617000 
1 1 1   29   17   17 o   7.2280   1.1210   6.2710   1.6650   8.1840   1.5020 -1.913000 2.242000 
1 1 1   29   17   18 o   3.4110   1.0840   3.8990   1.6490   2.9230   1.4070 0.9752000 2.168000 
1 1 1   29   17   19 o   16.250   0.5886   16.360   0.8242   16.130   0.8406 0.2364000 1.177000 
1 1 1   29   17   20 o   5.6550   1.3480   4.4700   1.8170   6.8400   1.9930 -2.370000 2.697000 
1 1 1   29   17   21 o   3.6560   1.1130   2.3880   1.1940   4.9230   1.8790 -2.535000 2.226000 
1 1 1   29   17   22 o   4.3750   1.2870   3.9180   1.7160   4.8320   1.9190 -0.9139000 2.574000 
1 1 1   29   17   23 f   3.9150   1.1910   4.8210   1.8810   3.0100   1.4630 1.812000 2.383000 
1 1 1   29   17   24 o   4.1660   1.3160   4.1250   1.8540   4.2080   1.8670 -0.8324000E-01 2.631000 
1 1 1   29   17   25 o   3.8700   1.2520   4.5220   1.9480   3.2180   1.5730 1.304000 2.504000 
1 1 1   29   17   26 o   2.9650   1.0170   2.8860   1.4060   3.0450   1.4690 -0.1587000 2.034000 
1 1 1   29   17   27 o   2.7020   0.9422   3.0050   1.4470   2.3990   1.2070 0.6062000 1.884000 
1 1 1   29   19    0 o   18.830   0.8018   18.310   0.6928   19.350   1.4460 -1.036000 1.604000 
1 1 1   29   19    1 o   6.5470   1.5440   6.8130   1.6910   6.2800   2.5840 0.5328000 3.088000 
1 1 1   29   19    2 o   4.9070   1.3790   4.4750   1.7640   5.3400   2.1210 -0.8656000 2.759000 
1 1 1   29   19    3 o   15.110   0.5369   14.730   0.7384   15.490   0.7795 -0.7678000 1.074000 
1 1 1   29   19    4 f   4.6980   1.1920   5.5180   1.7040   3.8780   1.6680 1.640000 2.384000 
1 1 1   29   19    5 o   12.580   0.7267   12.640   0.8200   12.520   1.2000 0.1215000 1.453000 
1 1 1   29   19    6 o   17.320   0.5931   16.430   0.8406   18.220   0.8369 -1.792000 1.186000 
1 1 1   29   19    7 o   25.960   0.4477   25.720   0.6131   26.190   0.6526 -0.4616000 0.8954000 
1 1 1   29   19    8 o   8.1750   1.0070   9.4180   1.1150   6.9320   1.6770 2.487000 2.013000 
1 1 1   29   19    9 o   9.2600   0.8468   8.9620   1.1730   9.5580   1.2210 -0.5959000 1.694000 
1 1 1   29   19   10 o   19.490   0.4341   19.360   0.5802   19.610   0.6459 -0.2575000 0.8682000 
1 1 1   29   19   11 f   6.3320   1.1900   6.8780   1.5700   5.7850   1.7890 1.093000 2.380000 
1 1 1   29   19   12 o   3.6210   1.0960   2.7610   1.3230   4.4810   1.7480 -1.720000 2.193000 
1 1 1   29   19   13 o   4.0780   1.2070   4.8420   1.8290   3.3130   1.5760 1.529000 2.414000 
1 1 1   29   19   14 o   4.4000   1.2980   4.3710   1.7860   4.4280   1.8840 -0.5681000E-01 2.596000 
1 1 1   29   19   15 o   9.3320   0.9053   9.7360   1.1680   8.9280   1.3830 0.8076000 1.811000 
1 1 1   29   19   16 o   3.4370   1.0950   3.8970   1.6630   2.9760   1.4250 0.9219000 2.190000 
1 1 1   29   19   17 o   7.0470   1.2470   8.5430   1.5100   5.5500   1.9840 2.993000 2.493000 
1 1 1   29   19   18 o   9.2370   1.1300   7.9090   1.7390   10.570   1.4420 -2.656000 2.259000 
1 1 1   29   19   19 o   3.2070   1.0740   3.0680   1.4650   3.3450   1.5710 -0.2769000 2.148000 
1 1 1   29   19   20 o   4.9990   1.3330   5.5080   1.8920   4.4910   1.8780 1.016000 2.666000 
1 1 1   29   19   21 o   5.8280   1.2760   3.9580   1.7250   7.6990   1.8810 -3.741000 2.552000 
1 1 1   29   19   22 o   3.7120   1.1960   3.9870   1.7540   3.4370   1.6270 0.5507000 2.393000 
1 1 1   29   19   23 o   3.8160   1.3000   3.5810   1.7570   4.0500   1.9150 -0.4688000 2.599000 
1 1 1   29   19   24 o   2.3660   0.8524   2.5430   1.2820   2.1880   1.1230 0.3544000 1.705000 
1 1 1   29   19   25 o   2.8170   0.9751   2.6850   1.3270   2.9490   1.4290 -0.2635000 1.950000 
1 1 1   29   19   26 o   2.5370   0.8934   2.4430   1.2230   2.6310   1.3020 -0.1877000 1.787000 
1 1 1   29   21    0 o   17.590   0.4997   17.300   0.6518   17.870   0.7576 -0.5631000 0.9994000 
1 1 1   29   21    1 o   24.530   0.4503   24.500   0.6047   24.570   0.6674 -0.6839000E-01 0.9006000 
1 1 1   29   21    2 o   22.590   0.4800   22.480   0.6452   22.710   0.7109 -0.2326000 0.9600000 
1 1 1   29   21    3 o   15.870   0.6254   15.270   0.8729   16.480   0.8958 -1.213000 1.251000 
1 1 1   29   21    4 o   11.050   0.8102   10.840   0.9730   11.250   1.2960 -0.4030000 1.620000 
1 1 1   29   21    5 o   11.840   0.9045   9.4980   1.1110   14.180   1.4280 -4.687000 1.809000 
1 1 1   29   21    6 o   9.0790   1.2850   9.6070   1.1100   8.5510   2.3180 1.055000 2.571000 
1 1 1   29   21    7 o   11.430   0.9686   10.080   1.0660   12.770   1.6170 -2.684000 1.937000 
1 1 1   29   21    8 o   4.7750   1.3970   3.7480   1.5890   5.8020   2.2980 -2.054000 2.794000 
1 1 1   29   21    9 o   12.560   0.9021   11.840   0.9142   13.280   1.5550 -1.436000 1.804000 
1 1 1   29   21   10 o   10.030   1.2520   11.520   0.9578   8.5450   2.3140 2.974000 2.504000 
1 1 1   29   21   11 o   11.580   1.1410   12.670   0.9804   10.490   2.0600 2.172000 2.282000 
1 1 1   29   21   12 o   11.790   1.1570   12.980   0.9859   10.610   2.0930 2.365000 2.314000 
1 1 1   29   21   13 o   5.0900   1.4680   4.0110   1.6950   6.1690   2.3970 -2.158000 2.936000 
1 1 1   29   21   14 o   5.9210   1.4350   6.6590   1.7890   5.1820   2.2440 1.477000 2.870000 
1 1 1   29   21   15 o   7.3140   1.5370   8.7080   1.5810   5.9200   2.6370 2.788000 3.075000 
1 1 1   29   21   16 o   6.4360   1.6510   6.3060   1.9360   6.5650   2.6760 -0.2590000 3.303000 
1 1 1   29   21   17 o   3.3030   1.1360   3.0700   1.4660   3.5350   1.7370 -0.4647000 2.273000 
1 1 1   29   21   18 o   4.0270   1.3260   2.5570   1.2710   5.4970   2.3280 -2.940000 2.652000 
1 1 1   29   21   19 o   5.1830   1.4300   5.7820   1.9290   4.5850   2.1110 1.198000 2.860000 
1 1 1   29   21   20 o   4.4210   1.3700   4.4840   1.8590   4.3570   2.0150 0.1269000 2.741000 
1 1 1   29   21   21 o   3.7600   1.3010   4.4280   2.0620   3.0920   1.5860 1.336000 2.602000 
1 1 1   29   21   22 o   2.9690   1.0690   2.9670   1.4960   2.9710   1.5280 -0.3901000E-02 2.138000 
1 1 1   29   21   23 o   3.1470   1.0650   3.7130   1.6730   2.5810   1.3170 1.132000 2.130000 
1 1 1   29   21   24 o   2.3600   0.8577   2.0360   1.0420   2.6840   1.3630 -0.6483000 1.715000 
1 1 1   29   23    0 o   13.740   0.5765   13.780   0.7972   13.700   0.8330 0.7703000E-01 1.153000 
1 1 1   29   23    1 o   6.8670   1.1500   5.5710   1.7340   8.1620   1.5120 -2.591000 2.301000 
1 1 1   29   23    2 o   10.400   0.7871   10.710   1.0340   10.080   1.1870 0.6336000 1.574000 
1 1 1   29   23    3 f   5.2980   1.2730   5.0310   1.7370   5.5640   1.8620 -0.5329000 2.546000 
1 1 1   29   23    4 o   4.8590   1.2150   5.6450   1.7270   4.0730   1.7090 1.572000 2.430000 
1 1 1   29   23    5 o   15.700   0.5317   15.740   0.7040   15.660   0.7969 0.7999000E-01 1.063000 
1 1 1   29   23    6 o   13.810   0.6147   14.350   0.7849   13.270   0.9462 1.084000 1.229000 
1 1 1   29   23    7 o   8.1640   1.0380   7.8440   1.4240   8.4830   1.5090 -0.6390000 2.075000 
1 1 1   29   23    8 o   7.9090   1.2360   7.8850   1.5840   7.9320   1.8990 -0.4710000E-01 2.472000 
1 1 1   29   23    9 o   13.050   0.7639   12.000   1.0590   14.100   1.1010 -2.096000 1.528000 
1 1 1   29   23   10 o   14.090   0.6354   14.160   0.8432   14.020   0.9506 0.1304000 1.271000 
1 1 1   29   23   11 f   5.7620   1.3750   6.1320   1.9030   5.3930   1.9850 0.7381000 2.750000 
1 1 1   29   23   12 o   4.7050   1.3280   5.0870   1.9050   4.3230   1.8520 0.7638000 2.657000 
1 1 1   29   23   13 o   4.6820   1.3460   4.4970   1.8550   4.8670   1.9500 -0.3698000 2.692000 
1 1 1   29   23   14 o   3.8770   1.2270   4.1060   1.8020   3.6490   1.6670 0.4565000 2.454000 
1 1 1   29   23   15 o   4.0580   1.2470   3.9370   1.7230   4.1800   1.8040 -0.2430000 2.495000 
1 1 1   29   23   16 o   4.1060   1.2450   4.6780   1.8610   3.5350   1.6530 1.143000 2.489000 
1 1 1   29   23   17 o   4.5150   1.2150   6.0090   1.9380   3.0210   1.4640 2.988000 2.429000 
1 1 1   29   23   18 o   3.7930   1.1990   4.1410   1.7750   3.4460   1.6140 0.6952000 2.399000 
1 1 1   29   23   19 o   5.9860   1.5240   6.8550   2.1320   5.1170   2.1780 1.738000 3.048000 
1 1 1   29   23   20 o   3.5730   1.2300   3.6820   1.7830   3.4630   1.6930 0.2194000 2.459000 
1 1 1   29   23   21 o   2.6660   0.9343   2.5950   1.2900   2.7380   1.3520 -0.1431000 1.869000 
1 1 1   29   23   22 o   2.6250   0.9210   2.5760   1.2790   2.6740   1.3250 -0.9767000E-01 1.842000 
1 1 1   29   25    0 o   5.0060   1.1650   6.5900   1.7340   3.4210   1.5570 3.169000 2.331000 
1 1 1   29   25    1 o   8.2930   1.0640   7.7730   1.5250   8.8120   1.4840 -1.038000 2.128000 
1 1 1   29   25    2 o   9.2110   1.0270   10.350   1.1650   8.0710   1.6930 2.281000 2.055000 
1 1 1   29   25    3 o   3.8450   1.2160   4.0170   1.7320   3.6730   1.7070 0.3441000 2.432000 
1 1 1   29   25    4 o   7.0780   1.3480   6.0070   1.9110   8.1490   1.9020 -2.141000 2.696000 
1 1 1   29   25    5 o   6.6350   1.3930   5.7750   1.9350   7.4960   2.0030 -1.721000 2.785000 
1 1 1   29   25    6 o   4.3470   1.3540   3.8380   1.7600   4.8550   2.0580 -1.017000 2.708000 
1 1 1   29   25    7 o   7.4750   1.3160   7.0390   1.8850   7.9110   1.8380 -0.8715000 2.633000 
1 1 1   29   25    8 o   8.7220   1.1890   8.5330   1.6800   8.9110   1.6810 -0.3774000 2.377000 
1 1 1   29   25    9 o   3.6570   1.1430   3.0340   1.4390   4.2800   1.7770 -1.246000 2.286000 
1 1 1   29   25   10 o   7.9880   1.1630   7.6360   1.6560   8.3400   1.6330 -0.7046000 2.326000 
1 1 1   29   25   11 o   5.4470   1.3530   5.3650   1.8940   5.5280   1.9330 -0.1632000 2.706000 
1 1 1   29   25   12 o   8.1080   1.1830   9.2190   1.4410   6.9970   1.8770 2.222000 2.367000 
1 1 1   29   25   13 o   4.6650   1.3110   5.1250   1.9020   4.2040   1.8050 0.9213000 2.623000 
1 1 1   29   25   14 o   4.6370   1.3140   5.1780   1.9220   4.0950   1.7930 1.083000 2.629000 
1 1 1   29   25   15 o   9.6090   1.0690   10.680   1.2840   8.5420   1.7100 2.134000 2.138000 
1 1 1   29   25   16 o   3.1510   1.1020   3.6790   1.7640   2.6230   1.3230 1.057000 2.205000 
1 1 1   29   25   17 o   3.6400   1.1960   4.5440   1.9460   2.7360   1.3910 1.808000 2.392000 
1 1 1   29   25   18 o   4.1040   1.2990   3.5520   1.6790   4.6560   1.9820 -1.104000 2.597000 
1 1 1   29   25   19 o   2.9850   1.0230   2.8490   1.3900   3.1210   1.5010 -0.2722000 2.046000 
1 1 1   29   25   20 f   3.0450   1.0310   3.3540   1.5620   2.7360   1.3450 0.6180000 2.061000 
1 1 1   29   27    0 o   4.4770   1.3230   4.6060   1.8040   4.3470   1.9350 0.2590000 2.646000 
1 1 1   29   27    1 f   10.790   0.8594   10.500   1.2000   11.080   1.2310 -0.5814000 1.719000 
1 1 1   29   27    2 o   14.720   0.6592   16.460   0.7792   12.990   1.0630 3.467000 1.318000 
1 1 1   29   27    3 o   10.680   0.8747   11.020   1.1460   10.340   1.3210 0.6764000 1.749000 
1 1 1   29   27    4 o   4.8690   1.3140   4.2890   1.7680   5.4500   1.9430 -1.161000 2.627000 
1 1 1   29   27    5 o   4.4530   1.2800   4.8180   1.8510   4.0890   1.7680 0.7293000 2.560000 
1 1 1   29   27    6 o   6.2000   1.1860   8.3110   1.5910   4.0900   1.7580 4.221000 2.371000 
1 1 1   29   27    7 o   3.5930   1.1470   3.1380   1.4830   4.0480   1.7490 -0.9096000 2.293000 
1 1 1   29   27    8 o   3.6860   1.1760   3.5590   1.6200   3.8140   1.7040 -0.2551000 2.351000 
1 1 1   29   27    9 o   3.9480   1.2050   4.4770   1.8100   3.4200   1.5920 1.057000 2.410000 
1 1 1   29   27   10 o   8.1120   1.1850   9.8600   1.3490   6.3630   1.9490 3.497000 2.370000 
1 1 1   29   27   11 o   3.4630   1.1310   3.1260   1.4890   3.8000   1.7030 -0.6745000 2.262000 
1 1 1   29   27   12 o   6.7660   1.4800   6.7970   2.0680   6.7350   2.1170 0.6184000E-01 2.959000 
1 1 1   29   27   13 o   3.6670   1.2010   4.1460   1.8350   3.1870   1.5500 0.9589000 2.402000 
1 1 1   29   27   14 o   3.2520   1.1080   2.8790   1.4230   3.6240   1.6990 -0.7452000 2.216000 
1 1 1   29   27   15 o   2.9390   1.0270   3.1320   1.5250   2.7460   1.3770 0.3852000 2.055000 
1 1 1   29   27   16 o   3.1630   1.0900   3.2270   1.5640   3.0980   1.5180 0.1297000 2.179000 
1 1 1   29   27   17 o   2.9060   0.9964   3.1930   1.5090   2.6200   1.3020 0.5729000 1.993000 
1 1 1   29   29    0 o   3.7070   1.1820   3.9610   1.7110   3.4530   1.6310 0.5081000 2.364000 
1 1 1   29   29    1 o   10.470   0.9286   11.310   1.1500   9.6360   1.4580 1.675000 1.857000 
1 1 1   29   29    2 o   11.170   0.8537   10.790   1.2210   11.550   1.1930 -0.7600000 1.707000 
1 1 1   29   29    3 o   6.6590   1.3330   6.3680   1.8790   6.9490   1.8920 -0.5808000 2.667000 
1 1 1   29   29    4 o   14.380   0.7179   16.350   0.8466   12.410   1.1600 3.938000 1.436000 
1 1 1   29   29    5 o   5.7900   1.3770   5.4000   1.9290   6.1790   1.9670 -0.7798000 2.755000 
1 1 1   29   29    6 o   4.4860   1.3410   4.8040   1.9800   4.1670   1.8090 0.6371000 2.682000 
1 1 1   29   29    7 o   3.6230   1.1990   3.8230   1.7520   3.4230   1.6380 0.4001000 2.399000 
1 1 1   29   29    8 o   4.9480   1.3780   3.9860   1.7950   5.9110   2.0920 -1.926000 2.757000 
1 1 1   29   29    9 o   3.1610   1.0950   3.3680   1.6100   2.9540   1.4860 0.4138000 2.191000 
1 1 1   29   29   10 f   9.1640   1.0860   10.030   1.3660   8.2940   1.6890 1.739000 2.172000 
1 1 1   29   29   11 o   7.9690   1.1880   8.2800   1.6050   7.6590   1.7520 0.6216000 2.377000 
1 1 1   29   29   12 o   2.5990   0.9246   2.3880   1.2110   2.8110   1.3970 -0.4234000 1.849000 
1 1 1   29   29   13 o   2.6740   0.9487   2.3830   1.2090   2.9660   1.4620 -0.5836000 1.897000 
1 1 1   29   29   14 o   2.8470   0.9956   2.8060   1.3920   2.8890   1.4240 -0.8270000E-01 1.991000 
1 1 1   29   31    0 o   4.0470   1.2580   4.5500   1.8930   3.5430   1.6580 1.007000 2.517000 
1 1 1   29   31    1 f   3.3040   1.0860   2.7450   1.3430   3.8620   1.7060 -1.117000 2.171000 
1 1 1   29   31    2 o   6.2330   1.3310   5.5190   1.9000   6.9460   1.8640 -1.427000 2.662000 
1 1 1   29   31    3 o   5.2660   1.3400   5.3300   1.8960   5.2020   1.8940 0.1275000 2.680000 
1 1 1   29   31    4 o   5.0690   1.2650   3.8490   1.7030   6.2890   1.8700 -2.439000 2.529000 
1 1 1   29   31    5 f   3.5310   1.1390   3.1840   1.5060   3.8780   1.7090 -0.6939000 2.278000 
1 1 1   29   31    6 o   3.2510   1.0770   3.0770   1.4650   3.4240   1.5780 -0.3471000 2.153000 
1 1 1   29   31    7 o   3.1550   1.0580   3.2030   1.5100   3.1070   1.4820 0.9535000E-01 2.116000 
1 1 1   29   31    8 o   3.3790   1.1370   3.6940   1.7080   3.0640   1.5010 0.6297000 2.274000 
1 1 1   29   31    9 o   2.5810   0.9172   2.3380   1.1860   2.8240   1.4000 -0.4866000 1.834000 
1 1 1   30    0    0 o   31.190   0.3881   31.190   0.3881   31.190   0.3881 0.000000 0.000000 
1 1 1   30    0    1 o   61.820   0.5641   61.820   0.5641   61.820   0.5641 -0.000000 0.000000 
1 1 1   30    0    2 o  138.000   1.2300  138.000   1.2300  138.000   1.2300 -0.000000 0.000000 
1 1 1   30    0    3 o   86.450   0.7765   86.450   0.7765   86.450   0.7765 -0.000000 0.000000 
1 1 1   30    0    4 o   44.780   0.4366   44.780   0.4366   44.780   0.4366 -0.000000 0.000000 
1 1 1   30    0    6 o   31.800   0.5627   31.800   0.5627   31.800   0.5627 -0.000000 0.000000 
1 1 1   30    0    7 o   7.1700   1.1710   7.1700   1.1710   7.1700   1.1710 -0.000000 0.000000 
1 1 1   30    0    8 o   23.330   0.4281   23.330   0.4281   23.330   0.4281 -0.000000 0.000000 
1 1 1   30    0    9 o   31.210   0.4230   31.210   0.4230   31.210   0.4230 0.000000 0.000000 
1 1 1   30    0   10 o   45.550   0.4779   45.550   0.4779   45.550   0.4779 -0.000000 0.000000 
1 1 1   30    0   11 o   31.230   0.4535   31.230   0.4535   31.230   0.4535 -0.000000 0.000000 
1 1 1   30    0   12 o   17.460   0.6253   17.460   0.6253   17.460   0.6253 -0.000000 0.000000 
1 1 1   30    0   13 o   29.680   0.4745   29.680   0.4745   29.680   0.4745 0.000000 0.000000 
1 1 1   30    0   14 o   32.840   0.6472   32.840   0.6472   32.840   0.6472 -0.000000 0.000000 
1 1 1   30    0   15 o   17.980   0.8662   17.980   0.8662   17.980   0.8662 -0.000000 0.000000 
1 1 1   30    0   16 o   1.9130   1.3510   1.9130   1.3510   1.9130   1.3510 0.000000 0.000000 
1 1 1   30    0   17 o   15.800   0.6925   15.800   0.6925   15.800   0.6925 0.000000 0.000000 
1 1 1   30    0   18 o   30.360   0.4719   30.360   0.4719   30.360   0.4719 -0.000000 0.000000 
1 1 1   30    0   19 o   28.290   0.7173   28.290   0.7173   28.290   0.7173 0.000000 0.000000 
1 1 1   30    0   20 o   3.2220   2.0700   3.2220   2.0700   3.2220   2.0700 0.000000 0.000000 
1 1 1   30    0   21 o   4.7560   2.0350   4.7560   2.0350   4.7560   2.0350 -0.000000 0.000000 
1 1 1   30    0   22 o   14.610   0.7288   14.610   0.7288   14.610   0.7288 0.000000 0.000000 
1 1 1   30    0   23 o   2.1290   1.4670   2.1290   1.4670   2.1290   1.4670 -0.000000 0.000000 
1 1 1   30    0   24 o   14.880   0.7501   14.880   0.7501   14.880   0.7501 0.000000 0.000000 
1 1 1   30    0   25 o   4.9830   2.1820   4.9830   2.1820   4.9830   2.1820 0.000000 0.000000 
1 1 1   30    0   26 o   2.6690   1.7610   2.6690   1.7610   2.6690   1.7610 0.000000 0.000000 
1 1 1   30    0   27 o   3.1490   2.0890   3.1490   2.0890   3.1490   2.0890 -0.000000 0.000000 
1 1 1   30    0   28 o   1.9950   1.4320   1.9950   1.4320   1.9950   1.4320 -0.000000 0.000000 
1 1 1   30    0   29 o   3.1640   1.9930   3.1640   1.9930   3.1640   1.9930 0.000000 0.000000 
1 1 1   30    0   30 o   2.6140   1.7710   2.6140   1.7710   2.6140   1.7710 -0.000000 0.000000 
1 1 1   30    0   31 o   2.4400   1.7430   2.4400   1.7430   2.4400   1.7430 -0.000000 0.000000 
1 1 1   30    0   32 o   1.8270   1.3260   1.8270   1.3260   1.8270   1.3260 -0.000000 0.000000 
1 1 1   30    2    0 o   15.520   0.4467   15.740   0.8012   15.300   0.3953 0.4387000 0.8934000 
1 1 1   30    2    1 o   56.970   0.4810   56.870   0.7462   57.080   0.6073 -0.2037000 0.9621000 
1 1 1   30    2    2 o   34.190   0.3221   34.110   0.5321   34.280   0.3630 -0.1667000 0.6441000 
1 1 1   30    2    3 o   31.360   0.3169   31.640   0.5253   31.080   0.3547 0.5532000 0.6338000 
1 1 1   30    2    4 o   39.670   0.4884   40.300   0.8616   39.050   0.4603 1.245000 0.9768000 
1 1 1   30    2    5 o   79.350   0.8383   79.430   1.4570   79.280   0.8293 0.1476000 1.677000 
1 1 1   30    2    6 o   30.600   0.3635   30.540   0.5612   30.670   0.4621 -0.1284000 0.7269000 
1 1 1   30    2    7 o   32.100   0.3524   31.880   0.5805   32.310   0.3996 -0.4286000 0.7048000 
1 1 1   30    2    8 o   14.600   0.4258   14.310   0.6140   14.880   0.5901 -0.5780000 0.8516000 
1 1 1   30    2    9 o   7.3710   0.8967   7.1060   1.3150   7.6360   1.2200 -0.5292000 1.793000 
1 1 1   30    2   10 o   45.860   0.3413   45.870   0.4823   45.860   0.4831 0.7893000E-02 0.6826000 
1 1 1   30    2   11 o   17.220   0.4457   16.980   0.6338   17.460   0.6267 -0.4792000 0.8913000 
1 1 1   30    2   12 o   37.710   0.3305   37.610   0.4617   37.810   0.4729 -0.2016000 0.6609000 
1 1 1   30    2   13 o   15.730   0.5083   15.790   0.7062   15.670   0.7312 0.1206000 1.017000 
1 1 1   30    2   14 o   26.290   0.3999   26.090   0.5415   26.490   0.5886 -0.4004000 0.7998000 
1 1 1   30    2   15 o   15.260   0.5903   15.020   0.8558   15.490   0.8132 -0.4680000 1.181000 
1 1 1   30    2   16 o   3.9470   1.1340   3.2930   1.4880   4.6010   1.7110 -1.309000 2.268000 
1 1 1   30    2   17 o   18.310   0.4360   18.470   0.6078   18.160   0.6252 0.3042000 0.8720000 
1 1 1   30    2   18 o   16.810   0.4596   16.970   0.6404   16.650   0.6595 0.3169000 0.9192000 
1 1 1   30    2   19 o   18.410   0.6593   17.930   0.9154   18.900   0.9491 -0.9716000 1.319000 
1 1 1   30    2   20 o   5.5890   1.3240   5.3990   1.7870   5.7780   1.9540 -0.3785000 2.648000 
1 1 1   30    2   21 o   4.3920   1.1790   4.1220   1.6470   4.6620   1.6880 -0.5396000 2.358000 
1 1 1   30    2   22 o   5.0200   1.1890   5.2750   1.6790   4.7660   1.6840 0.5089000 2.378000 
1 1 1   30    2   23 o   5.1190   1.2260   4.9120   1.7090   5.3260   1.7590 -0.4137000 2.453000 
1 1 1   30    2   24 o   13.570   0.5850   14.320   0.7798   12.810   0.8723 1.510000 1.170000 
1 1 1   30    2   25 o   14.810   0.5709   15.070   0.7735   14.540   0.8400 0.5346000 1.142000 
1 1 1   30    2   26 o   2.9870   1.0080   2.8670   1.3810   3.1070   1.4680 -0.2402000 2.016000 
1 1 1   30    2   27 o   3.9400   1.2460   2.7730   1.3940   5.1070   2.0670 -2.334000 2.493000 
1 1 1   30    2   28 o   5.7230   1.3650   5.0500   1.9250   6.3950   1.9370 -1.345000 2.731000 
1 1 1   30    2   29 o   3.6670   1.1830   3.7200   1.6840   3.6140   1.6620 0.1057000 2.366000 
1 1 1   30    2   30 f   3.8210   1.2160   3.9660   1.7570   3.6750   1.6810 0.2909000 2.432000 
1 1 1   30    2   31 o   3.5190   1.2120   3.5590   1.7260   3.4790   1.7010 0.8002000E-01 2.423000 
1 1 1   30    2   32 f   2.1840   0.7870   2.0540   1.0510   2.3140   1.1720 -0.2603000 1.574000 
1 1 1   30    4    0 o  142.400   0.8995  142.600   1.2740  142.200   1.2700 0.4837000 1.799000 
1 1 1   30    4    1 o   29.520   0.4759   29.520   0.4759  ?   ?       ?      ? 
1 1 1   30    4    2 o   32.090   0.2835   32.180   0.4048   31.990   0.3969 0.1922000 0.5669000 
1 1 1   30    4    3 o   28.530   0.2795   28.720   0.4032   28.330   0.3871 0.3893000 0.5590000 
1 1 1   30    4    4 f   24.410   0.2681   24.250   0.4004   24.570   0.3566 -0.3172000 0.5362000 
1 1 1   30    4    5 o   35.870   0.2797   35.510   0.3947   36.230   0.3964 -0.7219000 0.5594000 
1 1 1   30    4    6 o   8.7580   0.7931   9.1570   1.0140   8.3600   1.2200 0.7972000 1.586000 
1 1 1   30    4    7 o   25.400   0.5301  ?   ?    25.400   0.5301      ?      ? 
1 1 1   30    4    8 o   36.000   0.3874   35.710   0.6426   36.300   0.4330 -0.5887000 0.7748000 
1 1 1   30    4    9 o   56.920   0.4844   56.940   0.7962   56.900   0.5521 0.3756000E-01 0.9688000 
1 1 1   30    4   10 o   16.700   0.5763   16.820   0.9570   16.580   0.6425 0.2371000 1.153000 
1 1 1   30    4   11 o   8.3790   1.1580   8.8050   1.8610   7.9520   1.3780 0.8532000 2.316000 
1 1 1   30    4   12 o   15.940   0.6340   15.810   1.0530   16.070   0.7061 -0.2678000 1.268000 
1 1 1   30    4   13 o   5.1820   1.4500   5.6530   2.2460   4.7110   1.8340 0.9421000 2.900000 
1 1 1   30    4   14 o   22.730   0.4828   23.330   0.7791   22.140   0.5707 1.188000 0.9657000 
1 1 1   30    4   15 o   7.3760   1.3320   8.2740   1.9420   6.4770   1.8230 1.797000 2.664000 
1 1 1   30    4   16 o   13.350   0.7216   13.240   1.1950   13.460   0.8097 -0.2198000 1.443000 
1 1 1   30    4   17 o   6.3360   1.1590   4.4500   1.8910   8.2220   1.3420 -3.772000 2.319000 
1 1 1   30    4   18 f   10.170   1.5340   11.280   2.7670   9.0720   1.3250 2.205000 3.068000 
1 1 1   30    4   19 o   13.890   1.2670   14.770   2.1650   13.000   1.3160 1.769000 2.534000 
1 1 1   30    4   20 o   14.190   0.7230   14.200   1.0590   14.170   0.9844 0.3000000E-01 1.446000 
1 1 1   30    4   21 o   4.3340   1.1990   3.6410   1.6750   5.0270   1.7150 -1.386000 2.398000 
1 1 1   30    4   22 o   5.7150   1.3280   6.6370   2.0200   4.7930   1.7240 1.843000 2.656000 
1 1 1   30    4   23 o   5.7800   1.3650   6.2070   2.0620   5.3520   1.7890 0.8548000 2.730000 
1 1 1   30    4   24 o   9.1190   1.0720   9.4570   1.6830   8.7810   1.3280 0.6768000 2.144000 
1 1 1   30    4   25 o   6.2280   1.3950   6.2530   2.1290   6.2020   1.8040 0.5124000E-01 2.791000 
1 1 1   30    4   26 o   9.2300   1.3650   8.3510   2.3530   10.110   1.3840 -1.758000 2.730000 
1 1 1   30    4   27 o   4.2550   1.3880   4.3010   2.0280   4.2090   1.8950 0.9249000E-01 2.776000 
1 1 1   30    4   28 o   3.7750   1.2220   3.7750   1.7540   3.7750   1.7030 0.8392000E-04 2.445000 
1 1 1   30    4   29 o   3.4960   1.1560   3.1300   1.5330   3.8610   1.7310 -0.7309000 2.312000 
1 1 1   30    4   30 o   3.6200   1.1870   4.2410   1.8730   2.9990   1.4590 1.242000 2.374000 
1 1 1   30    4   31 o   2.9960   1.0710   2.9150   1.4940   3.0760   1.5350 -0.1611000 2.142000 
1 1 1   30    4   32 f   2.1130   0.7683   2.1990   1.1330   2.0270   1.0380 0.1725000 1.537000 
1 1 1   30    6    0 o   59.770   0.4518   59.150   0.6321   60.400   0.6457 -1.255000 0.9035000 
1 1 1   30    6    1 o   43.530   0.4019   42.830   0.6231   44.230   0.5077 -1.403000 0.8038000 
1 1 1   30    6    2 o   55.350   0.3981   54.960   0.6000   55.750   0.5233 -0.7845000 0.7961000 
1 1 1   30    6    3 o   53.490   0.3587   53.490   0.5066   53.490   0.5081 -0.2907000E-02 0.7175000 
1 1 1   30    6    4 o   36.410   0.2852   36.480   0.4018   36.330   0.4050 0.1554000 0.5705000 
1 1 1   30    6    5 f   69.400   0.4521   69.510   0.6394   69.290   0.6393 0.2102000 0.9042000 
1 1 1   30    6    6 o   14.020   0.5257   13.720   0.7058   14.310   0.7793 -0.5930000 1.051000 
1 1 1   30    6    7 o   49.730   0.3522   49.770   0.4968   49.680   0.4993 0.9367000E-01 0.7043000 
1 1 1   30    6    8 o   22.560   0.3920   21.720   0.4821   23.390   0.6183 -1.668000 0.7841000 
1 1 1   30    6    9 o   75.200   0.4930   75.140   0.6957   75.270   0.6986 -0.1295000 0.9859000 
1 1 1   30    6   10 o   47.470   0.3549   47.350   0.4996   47.580   0.5043 -0.2274000 0.7099000 
1 1 1   30    6   11 o   31.330   0.3379   31.670   0.4705   30.980   0.4852 0.6953000 0.6759000 
1 1 1   30    6   12 o   29.640   0.3750   29.620   0.5135   29.660   0.5465 -0.4086000E-01 0.7499000 
1 1 1   30    6   13 o   22.750   0.3905   22.210   0.5464   23.290   0.5580 -1.081000 0.7809000 
1 1 1   30    6   14 o   7.3750   1.1630   7.6310   1.4960   7.1190   1.7800 0.5120000 2.325000 
1 1 1   30    6   15 o   10.580   0.8789   10.060   1.3410   11.110   1.1360 -1.050000 1.758000 
1 1 1   30    6   16 o   8.0160   0.9696   7.9980   1.3560   8.0340   1.3860 -0.3570000E-01 1.939000 
1 1 1   30    6   17 o   19.920   0.4845   19.780   0.7015   20.060   0.6685 -0.2818000 0.9690000 
1 1 1   30    6   18 o   21.250   0.4693   20.770   0.6935   21.730   0.6326 -0.9627000 0.9386000 
1 1 1   30    6   19 f   19.140   0.5148   19.140   0.6771   19.140   0.7755 0.2842000E-02 1.030000 
1 1 1   30    6   20 o   19.450   0.5067   19.310   0.6549   19.590   0.7733 -0.2787000 1.013000 
1 1 1   30    6   21 o   4.5930   1.1940   4.6580   1.6820   4.5290   1.6950 0.1290000 2.388000 
1 1 1   30    6   22 o   4.4960   1.2080   4.3460   1.6870   4.6470   1.7300 -0.3013000 2.417000 
1 1 1   30    6   23 f   4.1020   1.1570   4.8250   1.7440   3.3800   1.5210 1.445000 2.314000 
1 1 1   30    6   24 o   6.7560   1.1630   8.1190   1.4580   5.3930   1.8120 2.726000 2.326000 
1 1 1   30    6   25 o   7.4740   1.1980   9.2320   1.5240   5.7160   1.8490 3.516000 2.396000 
1 1 1   30    6   26 o   4.8290   1.4070   6.8170   2.4420   2.8410   1.4000 3.976000 2.815000 
1 1 1   30    6   27 o   6.4140   1.4930   7.7230   2.2180   5.1040   1.9980 2.619000 2.985000 
1 1 1   30    6   28 o   3.5910   1.1850   4.6850   2.0130   2.4970   1.2510 2.188000 2.370000 
1 1 1   30    6   29 o   3.9140   1.2550   3.4910   1.6970   4.3370   1.8500 -0.8464000 2.510000 
1 1 1   30    6   30 o   3.2650   1.1780   3.9740   1.9700   2.5560   1.2920 1.418000 2.356000 
1 1 1   30    6   31 o   2.5990   0.9269   2.2710   1.1630   2.9280   1.4430 -0.6577000 1.854000 
1 1 1   30    8    0 o   51.030   0.3748   51.250   0.5702   50.810   0.4867 0.4456000 0.7496000 
1 1 1   30    8    1 o   54.840   0.3951   55.150   0.5949   54.540   0.5199 0.6089000 0.7901000 
1 1 1   30    8    2 o   47.130   0.3300   47.210   0.4640   47.060   0.4693 0.1499000 0.6599000 
1 1 1   30    8    3 o   37.340   0.2942   37.850   0.4164   36.820   0.4157 1.028000 0.5884000 
1 1 1   30    8    4 o   52.690   0.3625   52.590   0.5105   52.790   0.5148 -0.1962000 0.7250000 
1 1 1   30    8    5 o   55.220   0.4423   54.390   0.6160   56.050   0.6350 -1.663000 0.8847000 
1 1 1   30    8    6 o   45.460   0.3970   45.690   0.5577   45.220   0.5652 0.4704000 0.7941000 
1 1 1   30    8    7 o   6.8340   1.0040   6.4290   1.4510   7.2390   1.3870 -0.8095000 2.007000 
1 1 1   30    8    8 o   49.110   0.4128   47.770   0.5783   50.460   0.5893 -2.694000 0.8256000 
1 1 1   30    8    9 o   69.600   0.4635   69.190   0.6510   70.010   0.6599 -0.8141000 0.9269000 
1 1 1   30    8   10 o   3.1480   1.0380   3.3620   1.5280   2.9340   1.4050 0.4282000 2.076000 
1 1 1   30    8   11 o   18.430   0.4818   18.090   0.6735   18.770   0.6891 -0.6782000 0.9636000 
1 1 1   30    8   12 o   18.650   0.4504   18.330   0.6252   18.960   0.6486 -0.6333000 0.9008000 
1 1 1   30    8   13 o   25.290   0.3688   25.220   0.5132   25.370   0.5299 -0.1421000 0.7376000 
1 1 1   30    8   14 o   14.530   0.6513   14.870   0.9357   14.190   0.9062 0.6738000 1.303000 
1 1 1   30    8   15 o   21.440   0.4025   21.550   0.5662   21.320   0.5722 0.2264000 0.8050000 
1 1 1   30    8   16 o   3.5280   1.1250   3.4850   1.5880   3.5710   1.5940 -0.8592000E-01 2.250000 
1 1 1   30    8   17 o   14.150   0.6304   14.090   0.9144   14.200   0.8680 -0.1087000 1.261000 
1 1 1   30    8   18 o   13.580   0.5670   13.970   0.7387   13.180   0.8604 0.7964000 1.134000 
1 1 1   30    8   19 o   8.9560   1.0800   10.370   1.1210   7.5430   1.8450 2.825000 2.159000 
1 1 1   30    8   20 o   4.3850   1.1920   4.4730   1.6770   4.2980   1.6950 0.1752000 2.384000 
1 1 1   30    8   21 o   4.4760   1.0680   6.1160   1.6510   2.8370   1.3550 3.279000 2.136000 
1 1 1   30    8   22 o   12.670   0.6194   12.440   0.8727   12.900   0.8793 -0.4627000 1.239000 
1 1 1   30    8   23 o   3.0790   1.0170   2.7870   1.3300   3.3720   1.5380 -0.5849000 2.033000 
1 1 1   30    8   24 o   8.8980   0.9887   9.5820   1.2390   8.2140   1.5410 1.367000 1.977000 
1 1 1   30    8   25 o   7.9840   1.2040   9.0150   1.4540   6.9520   1.9190 2.063000 2.408000 
1 1 1   30    8   26 o   3.8960   1.1980   4.4580   1.8080   3.3340   1.5720 1.124000 2.396000 
1 1 1   30    8   27 o   3.7090   1.2090   4.4560   1.9300   2.9610   1.4570 1.495000 2.418000 
1 1 1   30    8   28 o   3.4570   1.1220   4.1580   1.7840   2.7560   1.3630 1.402000 2.245000 
1 1 1   30    8   29 f   3.5970   1.1700   3.6550   1.6620   3.5390   1.6470 0.1169000 2.340000 
1 1 1   30    8   30 o   2.6870   0.9561   2.8220   1.4110   2.5520   1.2910 0.2705000 1.912000 
1 1 1   30    8   31 o   2.4740   0.8862   2.6150   1.3170   2.3330   1.1870 0.2821000 1.772000 
1 1 1   30   10    0 o  104.500   0.6645  104.400   0.9378  104.700   0.9417 -0.2809000 1.329000 
1 1 1   30   10    1 f  100.000   0.6380   99.430   0.8965  100.600   0.9080 -1.188000 1.276000 
1 1 1   30   10    2 o   74.790   0.4866   74.980   0.6884   74.600   0.6879 0.3779000 0.9732000 
1 1 1   30   10    3 o   51.820   0.3637   51.450   0.5077   52.200   0.5209 -0.7501000 0.7274000 
1 1 1   30   10    4 o   38.270   0.4039   38.450   0.6044   38.090   0.5359 0.3647000 0.8077000 
1 1 1   30   10    5 o   34.760   0.3511   35.220   0.4433   34.290   0.5445 0.9257000 0.7022000 
1 1 1   30   10    6 o   27.540   0.3317   27.300   0.4591   27.770   0.4789 -0.4718000 0.6634000 
1 1 1   30   10    7 o   5.7500   1.1870   5.8980   1.6140   5.6010   1.7400 0.2973000 2.374000 
1 1 1   30   10    8 o   44.210   0.3909   43.900   0.5416   44.520   0.5637 -0.6179000 0.7817000 
1 1 1   30   10    9 f   28.260   0.3813   28.290   0.5249   28.230   0.5532 0.6686000E-01 0.7626000 
1 1 1   30   10   10 o   29.780   0.4468   29.930   0.6145   29.630   0.6488 0.2951000 0.8936000 
1 1 1   30   10   11 f   18.030   0.4651   18.070   0.6426   17.990   0.6727 0.7837000E-01 0.9303000 
1 1 1   30   10   12 o   20.320   0.4207   20.180   0.5836   20.460   0.6060 -0.2752000 0.8413000 
1 1 1   30   10   13 f   23.970   0.4575   23.930   0.6682   24.010   0.6250 -0.8016000E-01 0.9150000 
1 1 1   30   10   14 o   22.180   0.4762   22.060   0.6965   22.310   0.6496 -0.2573000 0.9524000 
1 1 1   30   10   15 o   16.590   0.5413   16.730   0.7491   16.440   0.7816 0.2848000 1.083000 
1 1 1   30   10   16 o   8.0970   0.9603   8.4390   1.2370   7.7540   1.4700 0.6850000 1.921000 
1 1 1   30   10   17 o   12.770   0.6085   13.040   0.8027   12.500   0.9148 0.5438000 1.217000 
1 1 1   30   10   18 o   3.3700   1.1020   2.8800   1.3740   3.8610   1.7240 -0.9811000 2.205000 
1 1 1   30   10   19 o   4.4550   1.2590   3.5020   1.5740   5.4090   1.9650 -1.906000 2.517000 
1 1 1   30   10   20 o   4.2410   1.1900   4.1020   1.6570   4.3790   1.7070 -0.2768000 2.380000 
1 1 1   30   10   21 o   5.0500   1.2090   4.2210   1.6650   5.8790   1.7550 -1.658000 2.419000 
1 1 1   30   10   22 o   8.3540   1.0300   9.9790   1.1340   6.7290   1.7210 3.249000 2.061000 
1 1 1   30   10   23 o   6.1270   1.1980   4.6350   1.7600   7.6200   1.6270 -2.985000 2.397000 
1 1 1   30   10   24 o   8.6640   1.1290   9.5570   1.3890   7.7710   1.7800 1.786000 2.258000 
1 1 1   30   10   25 o   7.7070   1.2520   9.4900   1.4470   5.9250   2.0440 3.564000 2.504000 
1 1 1   30   10   26 f   4.2490   1.3170   3.7600   1.7330   4.7370   1.9830 -0.9771000 2.633000 
1 1 1   30   10   27 o   3.2030   1.0980   3.0490   1.4880   3.3560   1.6150 -0.3072000 2.196000 
1 1 1   30   10   28 o   3.9480   1.2090   4.6720   1.8660   3.2230   1.5390 1.449000 2.419000 
1 1 1   30   10   29 o   3.4430   1.1650   3.6490   1.7250   3.2370   1.5660 0.4111000 2.330000 
1 1 1   30   10   30 o   2.8170   0.9788   3.0430   1.4750   2.5920   1.2880 0.4511000 1.958000 
1 1 1   30   12    0 o   49.710   0.3591   50.110   0.5049   49.320   0.5109 0.7866000 0.7183000 
1 1 1   30   12    1 o   56.460   0.4543   57.070   0.6395   55.840   0.6456 1.235000 0.9087000 
1 1 1   30   12    2 o   20.160   0.4552   20.720   0.5775   19.600   0.7039 1.116000 0.9105000 
1 1 1   30   12    3 o   34.030   0.3817   33.370   0.5984   34.690   0.4740 -1.321000 0.7634000 
1 1 1   30   12    4 f   54.410   0.4399   54.230   0.6164   54.580   0.6279 -0.3535000 0.8799000 
1 1 1   30   12    5 o   28.800   0.3693   28.840   0.5064   28.770   0.5376 0.6587000E-01 0.7386000 
1 1 1   30   12    6 o   36.630   0.3707   36.160   0.5120   37.100   0.5361 -0.9375000 0.7413000 
1 1 1   30   12    7 o   21.480   0.4148   22.200   0.5508   20.750   0.6204 1.445000 0.8296000 
1 1 1   30   12    8 o   20.040   0.4341   20.290   0.5987   19.790   0.6287 0.4955000 0.8682000 
1 1 1   30   12    9 o   72.480   0.4875   72.110   0.6854   72.850   0.6934 -0.7428000 0.9749000 
1 1 1   30   12   10 o   24.820   0.3809   24.930   0.5289   24.720   0.5482 0.2133000 0.7618000 
1 1 1   30   12   11 o   13.180   0.6050   13.060   0.8311   13.300   0.8794 -0.2418000 1.210000 
1 1 1   30   12   12 o   17.350   0.5298   17.560   0.6735   17.140   0.8180 0.4134000 1.060000 
1 1 1   30   12   13 o   9.9500   1.2800   8.5840   2.1560   11.320   1.3820 -2.732000 2.561000 
1 1 1   30   12   14 f   20.210   0.4725   20.070   0.6687   20.350   0.6678 -0.2792000 0.9450000 
1 1 1   30   12   15 f   17.600   0.4584   17.370   0.6371   17.820   0.6592 -0.4425000 0.9168000 
1 1 1   30   12   16 f   20.380   0.4178   20.240   0.5675   20.520   0.6132 -0.2833000 0.8355000 
1 1 1   30   12   17 o   17.530   0.4716   17.810   0.6376   17.250   0.6950 0.5623000 0.9431000 
1 1 1   30   12   18 o   9.8930   0.9715   9.6360   1.2780   10.150   1.4640 -0.5142000 1.943000 
1 1 1   30   12   19 o   2.8850   0.9692   2.5730   1.2520   3.1970   1.4800 -0.6244000 1.938000 
1 1 1   30   12   20 o   4.9920   1.1790   3.6580   1.5810   6.3270   1.7480 -2.669000 2.357000 
1 1 1   30   12   21 o   4.0530   1.1610   3.2550   1.4780   4.8500   1.7910 -1.595000 2.323000 
1 1 1   30   12   22 o   5.3440   1.2990   5.4230   1.8200   5.2650   1.8540 0.1585000 2.598000 
1 1 1   30   12   23 o   3.7940   1.1980   3.6680   1.6440   3.9200   1.7420 -0.2514000 2.395000 
1 1 1   30   12   24 o   15.290   0.6327   15.170   0.8542   15.400   0.9335 -0.2327000 1.265000 
1 1 1   30   12   25 o   6.7540   1.3350   7.3700   1.7710   6.1380   1.9970 1.232000 2.669000 
1 1 1   30   12   26 o   4.8020   1.3200   6.2830   2.0920   3.3210   1.6090 2.963000 2.639000 
1 1 1   30   12   27 o   5.1870   1.3670   4.3870   1.8260   5.9860   2.0340 -1.598000 2.733000 
1 1 1   30   12   28 o   3.0890   1.0730   3.2440   1.5750   2.9340   1.4580 0.3106000 2.146000 
1 1 1   30   12   29 o   2.8830   0.9934   2.5920   1.2950   3.1740   1.5060 -0.5819000 1.987000 
1 1 1   30   12   30 o   2.8140   0.9876   2.7020   1.3540   2.9270   1.4380 -0.2241000 1.975000 
1 1 1   30   14    0 o   62.560   0.4913   61.730   0.6822   63.390   0.7071 -1.665000 0.9825000 
1 1 1   30   14    1 o   57.960   0.4652   57.610   0.6506   58.320   0.6652 -0.7099000 0.9304000 
1 1 1   30   14    2 o   21.760   0.4230   21.590   0.5456   21.930   0.6467 -0.3472000 0.8461000 
1 1 1   30   14    3 f   30.710   0.3452   31.210   0.4719   30.200   0.5039 1.009000 0.6903000 
1 1 1   30   14    4 o   14.450   0.5666   14.680   0.7462   14.220   0.8528 0.4598000 1.133000 
1 1 1   30   14    5 o   14.460   0.5721   14.670   0.7559   14.250   0.8590 0.4126000 1.144000 
1 1 1   30   14    6 o   29.770   0.3524   30.030   0.4785   29.510   0.5174 0.5203000 0.7048000 
1 1 1   30   14    7 o   25.870   0.3742   26.270   0.5161   25.480   0.5420 0.7878000 0.7484000 
1 1 1   30   14    8 o   30.950   0.3523   30.870   0.4947   31.020   0.5017 -0.1510000 0.7046000 
1 1 1   30   14    9 o   15.100   0.5449   14.600   0.7660   15.610   0.7753 -1.007000 1.090000 
1 1 1   30   14   10 o   15.240   0.5332   15.580   0.7042   14.900   0.8009 0.6797000 1.066000 
1 1 1   30   14   11 o   21.560   0.6217   21.540   0.9533   21.580   0.7981 -0.4396000E-01 1.243000 
1 1 1   30   14   12 o   6.1680   1.5200   6.2540   2.2510   6.0810   2.0430 0.1735000 3.039000 
1 1 1   30   14   13 o   6.5850   1.1420   6.8740   1.5200   6.2960   1.7040 0.5776000 2.283000 
1 1 1   30   14   14 o   4.2760   1.1690   3.4410   1.5180   5.1110   1.7770 -1.670000 2.337000 
1 1 1   30   14   15 o   3.4630   1.0870   3.4490   1.5190   3.4770   1.5550 -0.2830000E-01 2.174000 
1 1 1   30   14   16 o   7.3270   1.0680   6.0200   1.6620   8.6340   1.3430 -2.614000 2.137000 
1 1 1   30   14   17 o   4.0900   1.2240   4.5370   1.7850   3.6430   1.6750 0.8933000 2.448000 
1 1 1   30   14   18 o   7.7040   1.0340   7.8740   1.3380   7.5340   1.5760 0.3397000 2.068000 
1 1 1   30   14   19 o   5.7400   1.0920   7.8310   1.4560   3.6490   1.6270 4.182000 2.183000 
1 1 1   30   14   20 o   12.170   0.7314   13.720   0.8578   10.620   1.1850 3.098000 1.463000 
1 1 1   30   14   21 o   6.0140   1.2710   6.7510   1.7180   5.2770   1.8720 1.473000 2.541000 
1 1 1   30   14   22 o   6.0520   1.3570   6.9240   1.8620   5.1810   1.9750 1.743000 2.714000 
1 1 1   30   14   23 o   10.060   0.9724   10.820   1.1800   9.2980   1.5460 1.518000 1.945000 
1 1 1   30   14   24 o   6.4380   1.3530   5.9360   1.8700   6.9410   1.9560 -1.005000 2.706000 
1 1 1   30   14   25 o   3.9460   1.2730   4.2510   1.8850   3.6410   1.7110 0.6101000 2.545000 
1 1 1   30   14   26 o   3.6930   1.1730   2.8150   1.3840   4.5720   1.8940 -1.757000 2.345000 
1 1 1   30   14   27 o   3.4140   1.1490   2.8160   1.4030   4.0130   1.8180 -1.197000 2.297000 
1 1 1   30   14   28 o   2.6500   0.9308   2.8650   1.4040   2.4350   1.2220 0.4299000 1.862000 
1 1 1   30   14   29 o   2.0330   0.7422   1.9680   1.0130   2.0970   1.0850 -0.1293000 1.484000 
1 1 1   30   16    0 o   34.980   0.3612   34.730   0.4685   35.220   0.5499 -0.4912000 0.7224000 
1 1 1   30   16    1 o   38.630   0.3430   39.420   0.4764   37.850   0.4938 1.569000 0.6861000 
1 1 1   30   16    2 o   21.100   0.4191   21.190   0.5645   21.020   0.6196 0.1706000 0.8382000 
1 1 1   30   16    3 f   10.520   0.7698   9.9050   1.0760   11.130   1.1010 -1.225000 1.540000 
1 1 1   30   16    4 o   27.980   0.3591   27.800   0.4871   28.160   0.5279 -0.3544000 0.7183000 
1 1 1   30   16    5 o   17.490   0.4923   16.520   0.6922   18.460   0.7003 -1.940000 0.9847000 
1 1 1   30   16    6 o   28.200   0.3612   28.110   0.4920   28.280   0.5289 -0.1713000 0.7223000 
1 1 1   30   16    7 o   28.690   0.3950   28.290   0.5502   29.090   0.5670 -0.7936000 0.7900000 
1 1 1   30   16    8 o   21.670   0.4860   21.740   0.7043   21.600   0.6700 0.1410000 0.9721000 
1 1 1   30   16    9 f   14.710   0.7236   14.290   0.9310   15.140   1.1080 -0.8444000 1.447000 
1 1 1   30   16   10 o   15.570   0.6822   14.860   1.0400   16.280   0.8834 -1.422000 1.364000 
1 1 1   30   16   11 o   15.330   0.5293   14.830   0.7437   15.820   0.7535 -0.9886000 1.059000 
1 1 1   30   16   12 o   17.560   0.4739   18.040   0.6267   17.090   0.7109 0.9563000 0.9477000 
1 1 1   30   16   13 o   19.470   0.4375   19.590   0.5890   19.350   0.6472 0.2386000 0.8751000 
1 1 1   30   16   14 o   6.3550   1.1130   7.9400   1.3420   4.7710   1.7770 3.170000 2.227000 
1 1 1   30   16   15 o   12.620   0.6406   12.810   0.8543   12.430   0.9549 0.3731000 1.281000 
1 1 1   30   16   16 o   5.1310   1.1580   7.0120   1.7180   3.2490   1.5530 3.764000 2.316000 
1 1 1   30   16   17 o   11.250   0.7294   11.840   0.9278   10.670   1.1260 1.167000 1.459000 
1 1 1   30   16   18 o   8.6720   0.9884   8.2510   1.3960   9.0930   1.4000 -0.8424000 1.977000 
1 1 1   30   16   19 o   5.8330   1.2540   6.7090   1.6960   4.9570   1.8470 1.751000 2.507000 
1 1 1   30   16   20 o   8.6560   1.1410   10.610   1.1970   6.6990   1.9420 3.914000 2.282000 
1 1 1   30   16   21 o   3.8680   1.2140   4.0660   1.7440   3.6690   1.6890 0.3974000 2.428000 
1 1 1   30   16   22 o   5.7710   1.3400   6.1990   1.8220   5.3420   1.9660 0.8574000 2.680000 
1 1 1   30   16   23 o   3.7120   1.1830   3.8870   1.7090   3.5370   1.6350 0.3494000 2.366000 
1 1 1   30   16   24 o   3.5550   1.1870   3.2120   1.5640   3.8990   1.7850 -0.6874000 2.373000 
1 1 1   30   16   25 o   3.7360   1.2660   4.3400   2.0100   3.1320   1.5410 1.207000 2.533000 
1 1 1   30   16   26 o   2.8870   1.0140   3.0230   1.4880   2.7500   1.3770 0.2730000 2.028000 
1 1 1   30   16   27 o   2.9250   1.0060   2.7520   1.3510   3.0980   1.4920 -0.3467000 2.013000 
1 1 1   30   16   28 o   2.5210   0.9167   2.7970   1.4160   2.2440   1.1650 0.5532000 1.833000 
1 1 1   30   18    0 o   8.3380   1.4970   9.4020   1.2990   7.2740   2.6980 2.128000 2.994000 
1 1 1   30   18    1 o   18.320   0.8379   18.270   0.6872   18.360   1.5280 -0.8346000E-01 1.676000 
1 1 1   30   18    2 o   17.610   0.8929   18.040   0.7071   17.190   1.6400 0.8489000 1.786000 
1 1 1   30   18    3 o   8.2400   1.2540   9.8950   1.2210   6.5860   2.1910 3.308000 2.508000 
1 1 1   30   18    4 o   16.980   0.5405   17.060   0.7232   16.900   0.8035 0.1579000 1.081000 
1 1 1   30   18    5 o   4.8670   1.2760   4.9440   1.7630   4.7900   1.8450 0.1539000 2.552000 
1 1 1   30   18    6 o   11.030   0.7164   10.400   1.0020   11.650   1.0240 -1.249000 1.433000 
1 1 1   30   18    7 o   4.5990   1.2960   3.5990   1.6420   5.5990   2.0040 -2.000000 2.591000 
1 1 1   30   18    8 o   16.750   0.6056   16.390   0.8526   17.110   0.8604 -0.7158000 1.211000 
1 1 1   30   18    9 o   11.800   0.6725   12.400   0.8433   11.210   1.0480 1.190000 1.345000 
1 1 1   30   18   10 o   7.5330   1.0540   7.3430   1.4650   7.7230   1.5170 -0.3796000 2.109000 
1 1 1   30   18   11 o   3.8070   1.1460   3.6110   1.5580   4.0030   1.6800 -0.3925000 2.291000 
1 1 1   30   18   12 o   2.9890   0.9920   3.1270   1.4400   2.8510   1.3650 0.2765000 1.984000 
1 1 1   30   18   13 o   3.3470   1.0490   4.0080   1.6410   2.6850   1.3070 1.322000 2.098000 
1 1 1   30   18   14 o   5.2220   1.3390   5.6190   1.8560   4.8250   1.9310 0.7947000 2.678000 
1 1 1   30   18   15 o   4.1080   1.2480   3.5370   1.5960   4.6800   1.9190 -1.144000 2.496000 
1 1 1   30   18   16 o   8.5200   1.0310   9.8660   1.1320   7.1740   1.7240 2.692000 2.063000 
1 1 1   30   18   17 o   4.4890   1.2580   4.5100   1.7590   4.4680   1.7980 0.4227000E-01 2.516000 
1 1 1   30   18   18 o   5.4680   1.3680   5.7330   1.8960   5.2040   1.9740 0.5290000 2.737000 
1 1 1   30   18   19 o   7.0710   1.3120   5.8260   1.9360   8.3160   1.7700 -2.490000 2.623000 
1 1 1   30   18   20 o   4.4080   1.2820   4.0810   1.7370   4.7360   1.8870 -0.6549000 2.565000 
1 1 1   30   18   21 o   3.6380   1.1440   4.3990   1.8010   2.8770   1.4130 1.522000 2.289000 
1 1 1   30   18   22 o   5.9340   1.3850   6.5180   1.9200   5.3500   1.9970 1.168000 2.771000 
1 1 1   30   18   23 o   3.4220   1.1660   3.5390   1.6890   3.3050   1.6080 0.2334000 2.332000 
1 1 1   30   18   24 o   3.4920   1.1970   3.3340   1.6510   3.6500   1.7330 -0.3161000 2.393000 
1 1 1   30   18   25 o   3.5210   1.1460   3.5500   1.6200   3.4920   1.6220 0.5832000E-01 2.293000 
1 1 1   30   18   26 o   2.5620   0.9019   2.3560   1.1850   2.7690   1.3600 -0.4128000 1.804000 
1 1 1   30   20    0 o   11.260   0.6886   9.9410   1.0660   12.580   0.8719 -2.643000 1.377000 
1 1 1   30   20    1 o   13.770   0.5812   13.640   0.7769   13.910   0.8648 -0.2733000 1.162000 
1 1 1   30   20    2 o   23.760   0.3850   23.420   0.5227   24.100   0.5655 -0.6721000 0.7700000 
1 1 1   30   20    3 o   8.3670   1.0250   10.490   0.9964   6.2450   1.7920 4.243000 2.050000 
1 1 1   30   20    4 o   13.450   0.7373   13.070   1.0100   13.820   1.0740 -0.7469000 1.475000 
1 1 1   30   20    5 o   12.320   0.7998   12.130   1.0770   12.520   1.1820 -0.3868000 1.600000 
1 1 1   30   20    6 o   7.8540   1.4460   6.7250   1.8830   8.9820   2.1940 -2.257000 2.891000 
1 1 1   30   20    7 o   6.8000   1.2920   8.1120   1.2810   5.4870   2.2440 2.625000 2.584000 
1 1 1   30   20    8 o   11.780   1.0450   12.600   0.8439   10.950   1.9110 1.654000 2.089000 
1 1 1   30   20    9 o   18.580   0.6591   19.290   0.5881   17.860   1.1800 1.430000 1.318000 
1 1 1   30   20   10 o   14.070   0.8507   14.470   0.7394   13.670   1.5320 0.7984000 1.701000 
1 1 1   30   20   11 o   15.070   0.8074   15.770   0.6956   14.370   1.4570 1.404000 1.615000 
1 1 1   30   20   12 o   15.000   0.9075   16.700   0.7986   13.290   1.6300 3.416000 1.815000 
1 1 1   30   20   13 o   7.4330   1.3860   8.9980   1.4710   5.8670   2.3490 3.131000 2.771000 
1 1 1   30   20   14 o   9.5900   1.3040   10.100   1.1890   9.0770   2.3200 1.026000 2.607000 
1 1 1   30   20   15 o   6.0170   1.2990   7.6960   1.6140   4.3390   2.0360 3.356000 2.599000 
1 1 1   30   20   16 o   3.6150   1.2310   3.5360   1.6160   3.6940   1.8560 -0.1585000 2.461000 
1 1 1   30   20   17 o   4.2510   1.4160   3.5570   1.6320   4.9440   2.3150 -1.387000 2.833000 
1 1 1   30   20   18 f   4.3150   1.3670   3.7020   1.6540   4.9270   2.1770 -1.225000 2.734000 
1 1 1   30   20   19 o   4.0130   1.3010   3.8390   1.6880   4.1870   1.9810 -0.3477000 2.603000 
1 1 1   30   20   20 o   4.5590   1.3160   5.4120   1.9210   3.7050   1.7990 1.708000 2.632000 
1 1 1   30   20   21 f   4.4530   1.3530   4.8910   1.9180   4.0150   1.9080 0.8765000 2.706000 
1 1 1   30   20   22 o   3.8370   1.3400   3.7010   1.8020   3.9730   1.9850 -0.2718000 2.680000 
1 1 1   30   20   23 o   3.8050   1.2950   3.6060   1.6620   4.0050   1.9850 -0.3981000 2.589000 
1 1 1   30   20   24 o   3.2760   1.1200   3.1140   1.4840   3.4390   1.6790 -0.3250000 2.241000 
1 1 1   30   20   25 o   2.3240   0.8385   2.2270   1.1290   2.4210   1.2400 -0.1942000 1.677000 
1 1 1   30   22    0 o   5.2570   1.3120   4.6460   1.8310   5.8670   1.8800 -1.222000 2.624000 
1 1 1   30   22    1 o   4.8340   1.3450   4.6910   1.8460   4.9770   1.9550 -0.2858000 2.689000 
1 1 1   30   22    2 o   8.8050   1.0010   10.650   0.9825   6.9570   1.7450 3.697000 2.003000 
1 1 1   30   22    3 o   8.6430   0.9644   9.2130   1.1500   8.0720   1.5480 1.141000 1.929000 
1 1 1   30   22    4 o   8.4040   0.9577   8.0130   1.3200   8.7960   1.3870 -0.7824000 1.915000 
1 1 1   30   22    5 o   3.4610   1.0860   2.8220   1.3370   4.1000   1.7110 -1.278000 2.172000 
1 1 1   30   22    6 o   3.4640   1.0970   3.4170   1.5180   3.5110   1.5840 -0.9444000E-01 2.194000 
1 1 1   30   22    7 o   8.3210   0.9891   7.6580   1.3910   8.9830   1.4070 -1.325000 1.978000 
1 1 1   30   22    8 o   6.8270   1.1840   6.0240   1.6710   7.6300   1.6780 -1.607000 2.368000 
1 1 1   30   22    9 o   6.3600   1.2510   6.7160   1.6450   6.0050   1.8850 0.7106000 2.502000 
1 1 1   30   22   10 o   9.8550   1.0430   10.860   1.1360   8.8530   1.7500 2.005000 2.086000 
1 1 1   30   22   11 o   5.6120   1.3350   4.3590   1.7650   6.8640   2.0040 -2.505000 2.670000 
1 1 1   30   22   12 o   3.5400   1.1310   3.4410   1.5590   3.6390   1.6390 -0.1976000 2.262000 
1 1 1   30   22   13 o   3.7540   1.1780   4.5680   1.8630   2.9400   1.4430 1.628000 2.356000 
1 1 1   30   22   14 o   4.0030   1.2490   3.7010   1.6700   4.3060   1.8560 -0.6047000 2.497000 
1 1 1   30   22   15 o   5.9190   1.3710   5.9020   1.9200   5.9360   1.9580 -0.3399000E-01 2.742000 
1 1 1   30   22   16 o   3.8140   1.2110   3.5640   1.6320   4.0640   1.7880 -0.5001000 2.421000 
1 1 1   30   22   17 o   4.0600   1.2520   3.5920   1.6450   4.5280   1.8870 -0.9363000 2.503000 
1 1 1   30   22   18 o   4.4900   1.3070   4.2630   1.8010   4.7170   1.8940 -0.4537000 2.614000 
1 1 1   30   22   19 o   3.5660   1.1540   2.8190   1.3860   4.3130   1.8450 -1.494000 2.308000 
1 1 1   30   22   20 o   6.4940   1.6790   6.0610   2.3750   6.9270   2.3750 -0.8659000 3.359000 
1 1 1   30   22   21 o   2.6550   0.9504   2.2970   1.1750   3.0140   1.4940 -0.7165000 1.901000 
1 1 1   30   22   22 o   3.3260   1.1060   3.3100   1.5520   3.3410   1.5760 -0.3116000E-01 2.212000 
1 1 1   30   22   23 f   2.4680   0.8746   2.6130   1.2960   2.3230   1.1750 0.2897000 1.749000 
1 1 1   30   24    0 o   8.3560   0.9898   8.6540   1.3210   8.0580   1.4740 0.5963000 1.980000 
1 1 1   30   24    1 o   24.090   0.4037   24.200   0.5401   23.990   0.6001 0.2073000 0.8074000 
1 1 1   30   24    2 o   17.840   0.5054   17.230   0.6995   18.450   0.7298 -1.220000 1.011000 
1 1 1   30   24    3 o   14.610   0.6083   15.550   0.7595   13.670   0.9505 1.880000 1.217000 
1 1 1   30   24    4 o   18.990   0.4841   18.940   0.6534   19.030   0.7144 -0.9789000E-01 0.9681000 
1 1 1   30   24    5 o   15.840   0.5572   15.370   0.7822   16.310   0.7937 -0.9447000 1.114000 
1 1 1   30   24    6 o   4.5670   1.2920   5.2280   1.8870   3.9070   1.7640 1.321000 2.583000 
1 1 1   30   24    7 o   11.410   0.9309   12.860   1.0090   9.9510   1.5650 2.910000 1.862000 
1 1 1   30   24    8 o   5.1460   1.4410   4.1060   1.8080   6.1850   2.2440 -2.079000 2.881000 
1 1 1   30   24    9 o   11.990   0.8589   12.450   1.1280   11.530   1.2950 0.9243000 1.718000 
1 1 1   30   24   10 o   12.310   0.8397   13.050   1.0980   11.570   1.2710 1.480000 1.679000 
1 1 1   30   24   11 o   10.130   0.9118   9.8400   1.2740   10.430   1.3050 -0.5856000 1.824000 
1 1 1   30   24   12 o   7.3160   1.2400   7.8320   1.6260   6.8000   1.8720 1.032000 2.479000 
1 1 1   30   24   13 o   5.1680   1.3300   4.1940   1.7680   6.1420   1.9860 -1.947000 2.659000 
1 1 1   30   24   14 o   7.2800   1.3200   6.8690   1.8440   7.6910   1.8880 -0.8214000 2.639000 
1 1 1   30   24   15 o   12.790   0.9506   15.530   1.1850   10.060   1.4870 5.476000 1.901000 
1 1 1   30   24   16 o   4.2750   1.2870   4.0070   1.7520   4.5440   1.8870 -0.5374000 2.575000 
1 1 1   30   24   17 f   4.6130   1.3830   4.0300   1.8250   5.1950   2.0780 -1.165000 2.766000 
1 1 1   30   24   18 o   3.5030   1.1930   3.4700   1.6450   3.5360   1.7300 -0.6571000E-01 2.387000 
1 1 1   30   24   19 o   4.2500   1.2970   3.2160   1.5600   5.2840   2.0710 -2.068000 2.593000 
1 1 1   30   24   20 f   3.2740   1.0910   2.8680   1.3980   3.6800   1.6750 -0.8116000 2.181000 
1 1 1   30   24   21 o   2.2500   0.8056   2.2830   1.1530   2.2160   1.1260 0.6737000E-01 1.611000 
1 1 1   30   26    0 o   16.590   0.9841   17.320   1.0180   15.850   1.6850 1.464000 1.968000 
1 1 1   30   26    1 o   16.390   0.8066   16.420   1.0720   16.360   1.2050 0.6568000E-01 1.613000 
1 1 1   30   26    2 o   17.440   0.7653   17.240   1.0050   17.650   1.1540 -0.4136000 1.531000 
1 1 1   30   26    3 o   7.0110   1.3780   9.1070   1.7860   4.9150   2.0990 4.192000 2.756000 
1 1 1   30   26    4 o   5.2920   1.3360   6.5030   1.9610   4.0810   1.8130 2.422000 2.671000 
1 1 1   30   26    5 o   6.7430   1.3750   7.7500   1.8410   5.7370   2.0440 2.013000 2.751000 
1 1 1   30   26    6 o   5.1720   1.3210   5.5930   1.8680   4.7510   1.8690 0.8417000 2.643000 
1 1 1   30   26    7 o   5.1590   1.3200   4.7240   1.8180   5.5930   1.9150 -0.8692000 2.640000 
1 1 1   30   26    8 o   2.9820   1.0180   2.5240   1.2730   3.4410   1.5880 -0.9167000 2.035000 
1 1 1   30   26    9 o   8.8630   1.1180   10.750   1.2250   6.9800   1.8710 3.767000 2.236000 
1 1 1   30   26   10 o   6.1370   1.3570   5.6760   1.9150   6.5990   1.9240 -0.9228000 2.715000 
1 1 1   30   26   11 o   4.2930   1.2660   3.5590   1.6340   5.0270   1.9340 -1.468000 2.532000 
1 1 1   30   26   12 o   4.1230   1.2640   3.9170   1.7260   4.3290   1.8480 -0.4121000 2.529000 
1 1 1   30   26   13 o   5.2750   1.3740   5.5860   1.9520   4.9640   1.9360 0.6224000 2.749000 
1 1 1   30   26   14 o   3.1500   1.0830   3.6720   1.7170   2.6280   1.3210 1.044000 2.167000 
1 1 1   30   26   15 o   3.3780   1.1450   3.1030   1.5180   3.6540   1.7150 -0.5518000 2.291000 
1 1 1   30   26   16 o   2.4100   0.8620   2.4360   1.2230   2.3850   1.2150 0.5059000E-01 1.724000 
1 1 1   30   26   17 o   3.5410   1.1830   3.6570   1.7070   3.4240   1.6390 0.2337000 2.367000 
1 1 1   30   26   18 o   2.1140   0.7624   2.0830   1.0630   2.1440   1.0930 -0.6051000E-01 1.525000 
1 1 1   30   28    0 o   8.0350   1.2230   8.5400   1.4890   7.5300   1.9400 1.009000 2.446000 
1 1 1   30   28    1 o   9.0020   1.1060   11.300   1.1760   6.7010   1.8720 4.602000 2.211000 
1 1 1   30   28    2 o   11.250   0.8327   11.280   1.1710   11.220   1.1850 0.5771000E-01 1.665000 
1 1 1   30   28    3 o   4.1370   1.2300   4.7670   1.8590   3.5070   1.6120 1.260000 2.460000 
1 1 1   30   28    4 o   4.7850   1.2750   3.7160   1.6650   5.8530   1.9330 -2.137000 2.551000 
1 1 1   30   28    5 o   4.4320   1.2670   5.1630   1.9030   3.7000   1.6750 1.463000 2.535000 
1 1 1   30   28    6 o   3.3090   1.1000   3.4620   1.6050   3.1550   1.5040 0.3067000 2.199000 
1 1 1   30   28    7 o   3.6900   1.1650   4.3680   1.8210   3.0110   1.4540 1.357000 2.331000 
1 1 1   30   28    8 o   4.5610   1.3050   4.9790   1.9060   4.1420   1.7810 0.8372000 2.609000 
1 1 1   30   28    9 o   4.3280   1.3320   4.1980   1.8490   4.4570   1.9170 -0.2591000 2.664000 
1 1 1   30   28   10 o   3.7540   1.2200   4.2350   1.8610   3.2730   1.5770 0.9628000 2.439000 
1 1 1   30   28   11 o   3.1280   1.0740   2.9590   1.4540   3.2960   1.5810 -0.3370000 2.148000 
1 1 1   30   28   12 o   4.1920   1.2580   3.7500   1.6790   4.6340   1.8730 -0.8843000 2.515000 
1 1 1   30   28   13 o   2.6050   0.9147   2.6290   1.3000   2.5810   1.2870 0.4827000E-01 1.829000 
1 1 1   30   28   14 o   2.8510   1.0010   2.8450   1.4110   2.8560   1.4200 -0.1120000E-01 2.002000 
1 1 1   30   28   15 o   2.8010   0.9841   2.6000   1.3040   3.0030   1.4740 -0.4026000 1.968000 
1 1 1   30   30    0 o   3.2950   1.1010   3.8950   1.7420   2.6950   1.3470 1.200000 2.202000 
1 1 1   30   30    1 o   3.2110   1.0910   2.6090   1.3040   3.8120   1.7480 -1.203000 2.181000 
1 1 1   30   30    2 o   6.0310   1.3960   7.4030   1.9860   4.6580   1.9630 2.745000 2.792000 
1 1 1   30   30    3 o   12.200   0.8937   12.060   1.2500   12.340   1.2780 -0.2795000 1.787000 
1 1 1   30   30    4 o   6.1250   1.3850   4.5520   1.9190   7.6970   1.9970 -3.145000 2.770000 
1 1 1   30   30    5 o   4.1780   1.2310   5.6590   2.0590   2.6980   1.3500 2.961000 2.462000 
1 1 1   30   30    6 o   4.7120   1.2930   3.7940   1.6900   5.6300   1.9580 -1.836000 2.587000 
1 1 1   30   30    7 o   3.2360   1.0810   3.2490   1.5360   3.2220   1.5230 0.2680000E-01 2.163000 
1 1 1   30   30    8 o   3.6570   1.1330   4.6990   1.8590   2.6160   1.2970 2.082000 2.267000 
1 1 1   30   30    9 o   4.5910   1.2750   5.0440   1.8570   4.1370   1.7480 0.9071000 2.550000 
1 1 1   30   30   10 o   2.4800   0.8819   2.4180   1.2120   2.5410   1.2820 -0.1228000 1.764000 
1 1 1   30   30   11 o   2.8220   0.9885   2.8250   1.3980   2.8190   1.3980 0.5088000E-02 1.977000 
1 1 1   30   32    0 o   2.6500   0.9224   2.3790   1.1910   2.9210   1.4090 -0.5425000 1.845000 
1 1 1   30   32    1 o   2.4040   0.8515   2.1540   1.0920   2.6530   1.3070 -0.4995000 1.703000 
1 1 1   30   32    2 o   2.6640   0.9225   3.4320   1.5680   1.8960   0.9725 1.537000 1.845000 
1 1 1   30   32    3 o   2.5830   0.9063   2.3350   1.1800   2.8310   1.3760 -0.4965000 1.813000 
1 1 1   30   32    4 o   2.1630   0.7762   2.3490   1.1780   1.9780   1.0110 0.3704000 1.552000 
1 1 1   31    1    0 o   87.640   0.7205   88.920   1.1290   86.360   0.8948 2.559000 1.441000 
1 1 1   31    1    1 o   53.110   0.4301   53.610   0.7069   52.620   0.4901 0.9971000 0.8602000 
1 1 1   31    1    2 o   16.460   0.3579   16.930   0.5870   15.980   0.4094 0.9570000 0.7157000 
1 1 1   31    1    3 o   28.450   0.3126   28.490   0.5166   28.410   0.3522 0.7999000E-01 0.6252000 
1 1 1   31    1    4 o   19.010   0.5384   18.960   0.9735   19.070   0.4604 -0.1106000 1.077000 
1 1 1   31    1    5 o   39.930   0.5272   40.000   0.8668   39.860   0.6002 0.1434000 1.054000 
1 1 1   31    1    6 o   35.390   0.3716   35.340   0.5692   35.450   0.4780 -0.1017000 0.7433000 
1 1 1   31    1    7 o   46.190   0.4023   46.040   0.6557   46.330   0.4661 -0.2856000 0.8045000 
1 1 1   31    1    8 o   3.4790   1.0720   3.3850   1.5500   3.5730   1.4810 -0.1879000 2.144000 
1 1 1   31    1    9 f   33.980   0.3700   33.960   0.6037   34.010   0.4278 -0.4805000E-01 0.7399000 
1 1 1   31    1   10 o   31.620   0.3165   31.660   0.4489   31.590   0.4464 0.6970000E-01 0.6331000 
1 1 1   31    1   11 o   52.140   0.3719   52.060   0.5264   52.210   0.5256 -0.1590000 0.7439000 
1 1 1   31    1   12 o   30.240   0.3337   30.450   0.4715   30.030   0.4724 0.4221000 0.6674000 
1 1 1   31    1   13 o   25.270   0.3636   25.110   0.5187   25.440   0.5098 -0.3267000 0.7273000 
1 1 1   31    1   14 o   13.320   0.7963   13.730   1.1030   12.910   1.1490 0.8182000 1.593000 
1 1 1   31    1   15 o   20.120   0.4875   19.670   0.7145   20.580   0.6633 -0.9113000 0.9749000 
1 1 1   31    1   16 o   17.770   0.4569   17.960   0.6335   17.590   0.6585 0.3687000 0.9138000 
1 1 1   31    1   17 o   4.9950   1.2240   4.8550   1.7280   5.1360   1.7330 -0.2806000 2.448000 
1 1 1   31    1   18 o   5.8290   1.1710   6.3700   1.6070   5.2880   1.7040 1.082000 2.342000 
1 1 1   31    1   19 o   22.590   0.5658   21.730   0.8045   23.450   0.7957 -1.723000 1.132000 
1 1 1   31    1   20 o   14.660   0.5540   15.120   0.7696   14.200   0.7971 0.9116000 1.108000 
1 1 1   31    1   21 o   7.8970   0.9430   8.4200   1.2230   7.3750   1.4350 1.045000 1.886000 
1 1 1   31    1   22 o   11.300   0.6584   10.730   0.9643   11.880   0.8966 -1.141000 1.317000 
1 1 1   31    1   23 o   11.600   0.6705   11.000   0.9908   12.210   0.9036 -1.212000 1.341000 
1 1 1   31    1   24 o   4.6210   1.1260   3.2070   1.4680   6.0360   1.7090 -2.829000 2.253000 
1 1 1   31    1   25 f   6.4010   1.2000   7.5520   1.5680   5.2500   1.8160 2.302000 2.400000 
1 1 1   31    1   26 o   4.3200   1.2510   4.2220   1.7430   4.4190   1.7940 -0.1970000 2.501000 
1 1 1   31    1   27 o   6.6820   1.5610   5.3570   2.1710   8.0080   2.2430 -2.651000 3.121000 
1 1 1   31    1   28 o   4.1620   1.2890   4.2430   1.8080   4.0810   1.8390 0.1623000 2.579000 
1 1 1   31    1   29 o   3.7240   1.1840   3.0770   1.4790   4.3710   1.8480 -1.294000 2.367000 
1 1 1   31    1   30 o   4.0790   1.1940   5.3350   1.9440   2.8230   1.3860 2.512000 2.387000 
1 1 1   31    1   31 o   2.5730   0.9275   2.5990   1.3230   2.5480   1.3000 0.5100000E-01 1.855000 
1 1 1   31    1   32 f   2.1510   0.7753   2.3310   1.1760   1.9710   1.0100 0.3603000 1.551000 
1 1 1   31    3    0 o   17.700   0.2798   16.540   0.3477   18.850   0.4386 -2.308000 0.5597000 
1 1 1   31    3    1 o   99.150   0.7257   98.610   1.0210   99.700   1.0320 -1.093000 1.451000 
1 1 1   31    3    2 o   48.190   0.4116   48.590   0.5328   47.800   0.6275 0.7879000 0.8231000 
1 1 1   31    3    3 o   17.580   0.3605   18.400   0.5015   16.770   0.5181 1.628000 0.7211000 
1 1 1   31    3    4 o   33.040   0.2688   33.140   0.3807   32.940   0.3796 0.1998000 0.5377000 
1 1 1   31    3    5 o   52.830   0.3565   52.450   0.5008   53.220   0.5075 -0.7761000 0.7130000 
1 1 1   31    3    6 o   16.290   0.4992   16.110   0.7557   16.480   0.6524 -0.3613000 0.9983000 
1 1 1   31    3    7 o   55.450   0.3765   54.700   0.5273   56.200   0.5376 -1.503000 0.7530000 
1 1 1   31    3    8 o   35.760   0.3346   34.350   0.5100   37.160   0.4332 -2.812000 0.6691000 
1 1 1   31    3    9 o   36.980   0.3883   36.700   0.6361   37.260   0.4456 -0.5538000 0.7767000 
1 1 1   31    3   10 o   45.620   0.4271   45.730   0.7033   45.520   0.4849 0.2088000 0.8543000 
1 1 1   31    3   11 o   5.7960   1.3280   7.1330   2.0550   4.4600   1.6830 2.672000 2.656000 
1 1 1   31    3   12 o   28.490   0.4191   28.710   0.6850   28.260   0.4832 0.4530000 0.8383000 
1 1 1   31    3   13 o   17.870   0.6663   18.030   1.1110   17.720   0.7354 0.3131000 1.333000 
1 1 1   31    3   14 o   16.860   0.6790   16.640   1.1140   17.090   0.7760 -0.4442000 1.358000 
1 1 1   31    3   15 o   15.550   0.6389   15.740   0.9803   15.370   0.8198 0.3780000 1.278000 
1 1 1   31    3   16 o   15.900   0.5905   16.490   0.9300   15.320   0.7278 1.167000 1.181000 
1 1 1   31    3   17 o   5.8570   1.1920   8.1640   1.8020   3.5500   1.5610 4.614000 2.384000 
1 1 1   31    3   18 o   7.7630   1.5990   11.180   2.6910   4.3450   1.7280 6.836000 3.198000 
1 1 1   31    3   19 o   8.1410   1.7540   8.4230   2.8810   7.8590   2.0020 0.5640000 3.508000 
1 1 1   31    3   20 o   18.870   0.5709   19.520   0.8103   18.220   0.8044 1.293000 1.142000 
1 1 1   31    3   21 o   12.740   0.7493   11.540   1.2780   13.940   0.7833 -2.408000 1.499000 
1 1 1   31    3   22 f   3.7240   1.1610   4.2700   1.8090   3.1770   1.4560 1.093000 2.322000 
1 1 1   31    3   23 o   3.4830   1.1260   3.3740   1.6060   3.5910   1.5790 -0.2167000 2.252000 
1 1 1   31    3   24 o   5.0470   1.1640   3.2980   1.5800   6.7950   1.7100 -3.497000 2.328000 
1 1 1   31    3   25 o   4.3870   1.2990   5.2600   2.0550   3.5140   1.5890 1.746000 2.598000 
1 1 1   31    3   26 o   3.4490   1.1310   2.9630   1.4760   3.9350   1.7150 -0.9721000 2.263000 
1 1 1   31    3   27 o   4.6530   1.4370   3.9650   1.9140   5.3420   2.1450 -1.376000 2.875000 
1 1 1   31    3   28 o   3.1750   1.0900   3.0050   1.4980   3.3460   1.5830 -0.3419000 2.179000 
1 1 1   31    3   29 o   4.2260   1.3280   5.4620   2.2180   2.9900   1.4600 2.472000 2.655000 
1 1 1   31    3   30 o   3.4260   1.1440   2.9030   1.4610   3.9490   1.7600 -1.047000 2.287000 
1 1 1   31    3   31 o   2.6570   0.9619   2.5560   1.3210   2.7570   1.3980 -0.2006000 1.924000 
1 1 1   31    3   32 o   2.3020   0.8423   2.1610   1.1140   2.4420   1.2630 -0.2812000 1.685000 
1 1 1   31    5    0 o   66.550   0.4925   66.180   0.6919   66.920   0.7009 -0.7359000 0.9849000 
1 1 1   31    5    1 o   62.790   0.5750   61.960   0.8025   63.620   0.8237 -1.656000 1.150000 
1 1 1   31    5    2 o   61.160   0.3989   60.640   0.5596   61.670   0.5687 -1.026000 0.7978000 
1 1 1   31    5    3 o   55.420   0.3686   55.400   0.5205   55.440   0.5220 -0.3578000E-01 0.7371000 
1 1 1   31    5    4 f   14.100   0.4361   13.340   0.5735   14.870   0.6572 -1.532000 0.8722000 
1 1 1   31    5    5 o   57.990   0.3869   57.930   0.5461   58.050   0.5481 -0.1196000 0.7737000 
1 1 1   31    5    6 o   3.0600   0.9963   2.7770   1.3010   3.3420   1.5090 -0.5649000 1.993000 
1 1 1   31    5    7 o   45.900   0.3338   45.630   0.4683   46.170   0.4758 -0.5352000 0.6676000 
1 1 1   31    5    8 o   26.410   0.3335   27.040   0.4355   25.780   0.5051 1.253000 0.6669000 
1 1 1   31    5    9 o   38.100   0.3230   37.840   0.4534   38.350   0.4601 -0.5078000 0.6460000 
1 1 1   31    5   10 o   16.060   0.4709   16.260   0.6438   15.850   0.6875 0.4154000 0.9418000 
1 1 1   31    5   11 o   32.980   0.3349   33.080   0.4677   32.880   0.4794 0.2052000 0.6698000 
1 1 1   31    5   12 o   50.390   0.4210   50.180   0.5864   50.590   0.6043 -0.4054000 0.8420000 
1 1 1   31    5   13 o   30.180   0.3797   30.010   0.5139   30.350   0.5590 -0.3338000 0.7593000 
1 1 1   31    5   14 o   9.7820   0.8650   9.8260   1.1480   9.7370   1.2940 0.8922000E-01 1.730000 
1 1 1   31    5   15 o   5.2660   1.2560   6.5700   1.8540   3.9610   1.6960 2.609000 2.512000 
1 1 1   31    5   16 o   12.410   0.6001   12.780   0.7986   12.030   0.8959 0.7503000 1.200000 
1 1 1   31    5   17 o   12.570   0.6028   12.690   0.8166   12.450   0.8869 0.2446000 1.206000 
1 1 1   31    5   18 o   12.400   0.7311   12.350   1.0850   12.450   0.9800 -0.9909000E-01 1.462000 
1 1 1   31    5   19 o   13.550   0.6869   12.770   0.9256   14.330   1.0150 -1.561000 1.374000 
1 1 1   31    5   20 o   11.570   0.7924   11.830   0.9963   11.300   1.2320 0.5344000 1.585000 
1 1 1   31    5   21 f   4.3510   1.0580   5.9130   1.6410   2.7880   1.3350 3.125000 2.116000 
1 1 1   31    5   22 f   8.2980   0.9279   8.5540   1.2320   8.0420   1.3880 0.5117000 1.856000 
1 1 1   31    5   23 o   3.9090   1.1270   4.7360   1.7320   3.0830   1.4420 1.653000 2.254000 
1 1 1   31    5   24 o   4.4580   1.2390   4.6000   1.7600   4.3170   1.7430 0.2835000 2.478000 
1 1 1   31    5   25 o   4.7530   1.2740   4.7560   1.8060   4.7500   1.7970 0.6771000E-02 2.548000 
1 1 1   31    5   26 o   3.7290   1.1950   3.9400   1.7450   3.5180   1.6340 0.4226000 2.390000 
1 1 1   31    5   27 o   3.3050   1.1200   3.3920   1.6200   3.2190   1.5480 0.1734000 2.241000 
1 1 1   31    5   28 o   5.6730   1.3610   6.5120   1.9320   4.8340   1.9180 1.678000 2.722000 
1 1 1   31    5   29 o   4.7270   1.3220   5.4840   1.9770   3.9700   1.7560 1.514000 2.644000 
1 1 1   31    5   30 o   3.5610   1.1940   3.6860   1.7390   3.4360   1.6370 0.2502000 2.388000 
1 1 1   31    5   31 f   3.3650   1.1390   3.8300   1.7700   2.8990   1.4340 0.9318000 2.278000 
1 1 1   31    7    0 o   27.250   0.3084   27.430   0.4328   27.060   0.4395 0.3741000 0.6168000 
1 1 1   31    7    1 o   11.550   0.3736   11.430   0.5145   11.660   0.5418 -0.2304000 0.7472000 
1 1 1   31    7    2 o   56.220   0.3739   55.980   0.5244   56.460   0.5331 -0.4828000 0.7478000 
1 1 1   31    7    3 f   61.540   0.4066   61.380   0.5729   61.690   0.5770 -0.3081000 0.8131000 
1 1 1   31    7    4 o   29.510   0.2828   29.450   0.3957   29.570   0.4042 -0.1160000 0.5656000 
1 1 1   31    7    5 o   8.4420   0.9179   9.0480   1.0680   7.8370   1.4940 1.211000 1.836000 
1 1 1   31    7    6 o   18.950   0.4462   19.050   0.5888   18.860   0.6705 0.1899000 0.8923000 
1 1 1   31    7    7 o   31.160   0.3079   31.370   0.4301   30.950   0.4407 0.4191000 0.6158000 
1 1 1   31    7    8 o   30.830   0.3221   30.490   0.4515   31.170   0.4596 -0.6757000 0.6443000 
1 1 1   31    7    9 f   39.290   0.3303   39.150   0.4620   39.430   0.4722 -0.2748000 0.6606000 
1 1 1   31    7   10 o   7.0290   1.1050   6.7480   1.5810   7.3090   1.5430 -0.5612000 2.210000 
1 1 1   31    7   11 o   28.600   0.3773   28.440   0.5146   28.760   0.5520 -0.3183000 0.7546000 
1 1 1   31    7   12 o   19.550   0.4363   18.930   0.6198   20.170   0.6142 -1.242000 0.8725000 
1 1 1   31    7   13 o   29.600   0.3431   29.420   0.4791   29.790   0.4913 -0.3785000 0.6862000 
1 1 1   31    7   14 o   30.580   0.4008   30.370   0.5782   30.800   0.5553 -0.4276000 0.8016000 
1 1 1   31    7   15 o   13.810   0.6721   14.160   0.9593   13.460   0.9416 0.6973000 1.344000 
1 1 1   31    7   16 o   15.880   0.4965   15.830   0.6971   15.930   0.7073 -0.1028000 0.9931000 
1 1 1   31    7   17 o   5.5630   1.3350   5.5940   1.9050   5.5310   1.8710 0.6278000E-01 2.671000 
1 1 1   31    7   18 f   11.330   0.6886   10.880   0.9925   11.770   0.9550 -0.8887000 1.377000 
1 1 1   31    7   19 o   5.4640   1.2960   6.1120   1.7540   4.8170   1.9070 1.296000 2.591000 
1 1 1   31    7   20 o   5.7570   1.1920   5.2610   1.6860   6.2530   1.6860 -0.9916000 2.384000 
1 1 1   31    7   21 o   6.5610   1.1340   6.1880   1.6160   6.9340   1.5900 -0.7468000 2.267000 
1 1 1   31    7   22 o   10.790   0.7508   9.6600   1.1440   11.920   0.9724 -2.255000 1.502000 
1 1 1   31    7   23 o   5.7150   1.1390   7.4140   1.5320   4.0150   1.6860 3.399000 2.278000 
1 1 1   31    7   24 o   7.2850   1.1550   8.5510   1.4030   6.0200   1.8340 2.531000 2.309000 
1 1 1   31    7   25 o   6.2640   1.2440   8.0800   1.6360   4.4480   1.8760 3.633000 2.489000 
1 1 1   31    7   26 o   3.0850   1.0570   2.7640   1.3650   3.4050   1.6140 -0.6411000 2.114000 
1 1 1   31    7   27 o   3.4430   1.1530   3.9650   1.7960   2.9220   1.4460 1.042000 2.305000 
1 1 1   31    7   28 o   3.5360   1.1560   3.2730   1.5450   3.8000   1.7190 -0.5270000 2.312000 
1 1 1   31    7   29 o   3.0750   1.0450   2.6240   1.3070   3.5260   1.6310 -0.9020000 2.090000 
1 1 1   31    7   30 o   2.7030   0.9621   2.9570   1.4680   2.4500   1.2440 0.5072000 1.924000 
1 1 1   31    7   31 o   2.7120   0.9599   2.9300   1.4490   2.4930   1.2600 0.4368000 1.920000 
1 1 1   31    9    0 o   15.170   0.3820   15.290   0.5116   15.050   0.5674 0.2351000 0.7640000 
1 1 1   31    9    1 o   54.510   0.3707   54.670   0.5221   54.340   0.5264 0.3340000 0.7414000 
1 1 1   31    9    2 o   11.640   0.4897   11.670   0.6538   11.610   0.7293 0.5661000E-01 0.9795000 
1 1 1   31    9    3 o   24.760   0.3134   25.270   0.4066   24.250   0.4771 1.022000 0.6269000 
1 1 1   31    9    4 o   25.690   0.4743   24.820   0.7833   26.560   0.5352 -1.738000 0.9486000 
1 1 1   31    9    5 o   13.900   0.5822   13.350   0.7967   14.440   0.8492 -1.085000 1.164000 
1 1 1   31    9    6 f   53.800   0.3818   53.230   0.5348   54.370   0.5451 -1.136000 0.7636000 
1 1 1   31    9    7 o   20.620   0.3842   20.370   0.5266   20.860   0.5596 -0.4961000 0.7684000 
1 1 1   31    9    8 o   36.570   0.3333   36.190   0.4669   36.950   0.4757 -0.7645000 0.6666000 
1 1 1   31    9    9 o   41.720   0.3853   41.340   0.5343   42.090   0.5553 -0.7496000 0.7706000 
1 1 1   31    9   10 o   23.620   0.4142   23.820   0.5652   23.430   0.6056 0.3872000 0.8284000 
1 1 1   31    9   11 o   22.510   0.3929   21.800   0.5522   23.230   0.5591 -1.423000 0.7859000 
1 1 1   31    9   12 o   13.990   0.5746   13.610   0.8027   14.380   0.8224 -0.7675000 1.149000 
1 1 1   31    9   13 o   17.380   0.4777   17.720   0.6431   17.040   0.7067 0.6854000 0.9555000 
1 1 1   31    9   14 o   27.790   0.4197   27.730   0.6045   27.850   0.5825 -0.1158000 0.8395000 
1 1 1   31    9   15 o   14.560   0.6182   14.400   0.8944   14.710   0.8536 -0.3112000 1.236000 
1 1 1   31    9   16 o   4.7560   1.2600   3.9720   1.7060   5.5390   1.8550 -1.567000 2.520000 
1 1 1   31    9   17 o   19.260   0.4273   19.170   0.5897   19.360   0.6185 -0.1950000 0.8546000 
1 1 1   31    9   18 o   7.4160   1.0390   5.1650   1.7210   9.6660   1.1650 -4.500000 2.078000 
1 1 1   31    9   19 o   3.9840   1.2500   3.9310   1.6770   4.0370   1.8540 -0.1059000 2.500000 
1 1 1   31    9   20 o   3.2110   1.0360   3.0900   1.4230   3.3320   1.5050 -0.2418000 2.071000 
1 1 1   31    9   21 o   7.3650   1.0740   8.2560   1.3170   6.4740   1.6980 1.783000 2.149000 
1 1 1   31    9   22 o   8.8020   0.9361   8.5830   1.3210   9.0210   1.3270 -0.4378000 1.872000 
1 1 1   31    9   23 o   3.3410   1.0700   3.8860   1.6560   2.7950   1.3550 1.091000 2.139000 
1 1 1   31    9   24 o   4.5290   1.1960   5.8380   1.8550   3.2200   1.5110 2.618000 2.393000 
1 1 1   31    9   25 o   4.6130   1.3290   5.0980   1.9330   4.1280   1.8240 0.9695000 2.658000 
1 1 1   31    9   26 o   4.4660   1.3080   4.1470   1.7690   4.7860   1.9280 -0.6394000 2.617000 
1 1 1   31    9   27 o   4.4740   1.3390   4.9750   1.9780   3.9730   1.8050 1.002000 2.678000 
1 1 1   31    9   28 o   4.0490   1.2480   3.8750   1.7060   4.2240   1.8200 -0.3491000 2.495000 
1 1 1   31    9   29 o   3.4670   1.1610   2.8250   1.4110   4.1090   1.8450 -1.284000 2.323000 
1 1 1   31    9   30 o   2.9610   1.0170   2.9680   1.4450   2.9530   1.4310 0.1531000E-01 2.033000 
1 1 1   31   11    0 o   16.890   0.3991   16.760   0.5461   17.010   0.5823 -0.2467000 0.7983000 
1 1 1   31   11    1 o   30.060   0.3109   30.480   0.4262   29.630   0.4529 0.8587000 0.6219000 
1 1 1   31   11    2 o   70.000   0.4623   70.050   0.6517   69.960   0.6560 0.9197000E-01 0.9246000 
1 1 1   31   11    3 o   41.240   0.3849   41.070   0.5288   41.410   0.5596 -0.3435000 0.7699000 
1 1 1   31   11    4 o   41.270   0.3876   40.980   0.5316   41.550   0.5643 -0.5628000 0.7752000 
1 1 1   31   11    5 o   17.880   0.4273   17.680   0.5787   18.070   0.6289 -0.3931000 0.8546000 
1 1 1   31   11    6 o   44.790   0.3910   44.220   0.5410   45.350   0.5646 -1.122000 0.7820000 
1 1 1   31   11    7 o   37.250   0.3722   37.060   0.5149   37.440   0.5376 -0.3801000 0.7444000 
1 1 1   31   11    8 o   15.190   0.5355   15.550   0.7005   14.830   0.8101 0.7132000 1.071000 
1 1 1   31   11    9 o   18.590   0.4562   17.690   0.6593   19.500   0.6308 -1.815000 0.9124000 
1 1 1   31   11   10 o   18.150   0.4563   17.910   0.6397   18.400   0.6508 -0.4864000 0.9126000 
1 1 1   31   11   11 o   6.1730   1.1990   6.6430   1.6060   5.7030   1.7800 0.9402000 2.398000 
1 1 1   31   11   12 o   36.600   0.3403   36.220   0.4774   36.980   0.4850 -0.7598000 0.6806000 
1 1 1   31   11   13 o   6.0830   1.3810   6.6900   1.9890   5.4770   1.9180 1.213000 2.763000 
1 1 1   31   11   14 o   21.470   0.4562   21.490   0.6447   21.460   0.6457 0.2714000E-01 0.9125000 
1 1 1   31   11   15 o   4.9980   1.1780   5.9340   1.6560   4.0620   1.6770 1.872000 2.357000 
1 1 1   31   11   16 o   4.0720   1.1520   3.4950   1.5220   4.6480   1.7300 -1.153000 2.304000 
1 1 1   31   11   17 o   6.3550   1.1070   7.7000   1.3680   5.0110   1.7410 2.690000 2.215000 
1 1 1   31   11   18 o   6.4170   1.2950   6.7890   1.6870   6.0450   1.9650 0.7443000 2.590000 
1 1 1   31   11   19 o   3.3980   1.0780   3.5820   1.5610   3.2140   1.4880 0.3681000 2.157000 
1 1 1   31   11   20 o   10.320   0.7747   11.270   0.9475   9.3680   1.2260 1.899000 1.549000 
1 1 1   31   11   21 o   6.4800   1.1750   7.0360   1.5380   5.9250   1.7750 1.111000 2.349000 
1 1 1   31   11   22 o   4.7590   1.2450   4.3660   1.7080   5.1530   1.8130 -0.7863000 2.491000 
1 1 1   31   11   23 o   4.1700   1.2280   4.1860   1.7260   4.1540   1.7460 0.3229000E-01 2.456000 
1 1 1   31   11   24 o   3.4210   1.1370   3.0380   1.4680   3.8040   1.7370 -0.7664000 2.274000 
1 1 1   31   11   25 o   6.7300   1.3270   7.1110   1.7640   6.3480   1.9820 0.7629000 2.653000 
1 1 1   31   11   26 o   5.8570   1.4830   5.3130   2.0620   6.4020   2.1320 -1.090000 2.967000 
1 1 1   31   11   27 o   4.2110   1.2690   4.7500   1.8900   3.6720   1.6930 1.079000 2.538000 
1 1 1   31   11   28 o   3.3670   1.1450   3.9810   1.8280   2.7520   1.3810 1.229000 2.291000 
1 1 1   31   11   29 o   3.0280   1.0360   3.4660   1.6220   2.5900   1.2910 0.8766000 2.073000 
1 1 1   31   11   30 o   2.9130   1.0190   2.9830   1.4680   2.8440   1.4130 0.1388000 2.038000 
1 1 1   31   13    0 o   9.1180   1.7140  ?   ?    9.1180   1.7140      ?      ? 
1 1 1   31   13    1 o   16.910   0.6177   16.210   0.8365   17.620   0.9092 -1.409000 1.235000 
1 1 1   31   13    2 o   27.510   0.3826   27.430   0.5202   27.600   0.5611 -0.1706000 0.7651000 
1 1 1   31   13    3 o   19.650   0.4632   19.230   0.6289   20.070   0.6802 -0.8429000 0.9263000 
1 1 1   31   13    4 o   8.3440   1.0630   7.0810   1.6350   9.6060   1.3580 -2.525000 2.126000 
1 1 1   31   13    5 o   32.300   0.3813   31.220   0.4694   33.370   0.6009 -2.150000 0.7625000 
1 1 1   31   13    6 o   27.600   0.3731   27.470   0.5355   27.740   0.5198 -0.2747000 0.7462000 
1 1 1   31   13    7 o   30.120   0.3679   30.520   0.4799   29.720   0.5577 0.7982000 0.7358000 
1 1 1   31   13    8 f   17.970   0.4710   17.640   0.6585   18.290   0.6736 -0.6485000 0.9420000 
1 1 1   31   13    9 o   27.950   0.3539   27.530   0.4912   28.380   0.5096 -0.8466000 0.7078000 
1 1 1   31   13   10 o   15.180   0.5294   15.530   0.7038   14.830   0.7911 0.6942000 1.059000 
1 1 1   31   13   11 f   33.900   0.3426   33.630   0.4778   34.170   0.4911 -0.5428000 0.6852000 
1 1 1   31   13   12 o   8.4300   1.4090   8.4730   2.1580   8.3870   1.8110 0.8617000E-01 2.817000 
1 1 1   31   13   13 o   7.8860   1.1340   7.5360   1.6600   8.2370   1.5470 -0.7016000 2.269000 
1 1 1   31   13   14 o   4.2250   1.1840   3.7460   1.5790   4.7050   1.7640 -0.9590000 2.367000 
1 1 1   31   13   15 o   3.8780   1.1350   4.3350   1.6640   3.4210   1.5440 0.9135000 2.270000 
1 1 1   31   13   16 f   4.2140   1.1220   5.2800   1.7020   3.1490   1.4620 2.131000 2.243000 
1 1 1   31   13   17 o   13.030   0.7091   12.620   0.9323   13.440   1.0690 -0.8142000 1.418000 
1 1 1   31   13   18 o   5.6660   1.3630   4.7970   1.8200   6.5350   2.0310 -1.738000 2.727000 
1 1 1   31   13   19 o   12.140   0.6710   12.680   0.8651   11.600   1.0260 1.082000 1.342000 
1 1 1   31   13   20 o   9.5420   0.8836   9.0980   1.2490   9.9860   1.2510 -0.8882000 1.767000 
1 1 1   31   13   21 o   13.280   0.6674   14.510   0.8160   12.040   1.0560 2.468000 1.335000 
1 1 1   31   13   22 o   5.5370   1.3770   4.0360   1.7220   7.0380   2.1480 -3.002000 2.753000 
1 1 1   31   13   23 o   6.5360   1.4870   6.8930   2.1130   6.1790   2.0920 0.7146000 2.973000 
1 1 1   31   13   24 o   3.2220   1.0830   2.9390   1.4250   3.5060   1.6320 -0.5672000 2.167000 
1 1 1   31   13   25 o   5.2950   1.3720   6.8350   2.1140   3.7560   1.7500 3.079000 2.744000 
1 1 1   31   13   26 o   4.3230   1.3480   4.5040   1.9500   4.1410   1.8620 0.3637000 2.696000 
1 1 1   31   13   27 o   3.7850   1.2390   3.1600   1.5380   4.4100   1.9420 -1.251000 2.478000 
1 1 1   31   13   28 o   2.4360   0.8672   2.3260   1.1780   2.5470   1.2730 -0.2206000 1.734000 
1 1 1   31   13   29 o   2.8140   0.9729   3.2510   1.5340   2.3760   1.1970 0.8753000 1.946000 
1 1 1   31   15    0 o   26.260   0.3621   26.060   0.4912   26.450   0.5321 -0.3892000 0.7241000 
1 1 1   31   15    1 o   26.170   0.3631   26.330   0.4963   26.000   0.5303 0.3274000 0.7263000 
1 1 1   31   15    2 o   29.070   0.3499   28.610   0.4811   29.540   0.5082 -0.9348000 0.6999000 
1 1 1   31   15    3 o   16.130   0.5100   16.520   0.6562   15.750   0.7808 0.7716000 1.020000 
1 1 1   31   15    4 o   21.640   0.4108   21.290   0.5542   21.980   0.6065 -0.6924000 0.8216000 
1 1 1   31   15    5 o   22.580   0.3972   22.080   0.5397   23.080   0.5828 -0.9971000 0.7944000 
1 1 1   31   15    6 f   21.860   0.4068   21.960   0.5395   21.750   0.6090 0.2011000 0.8136000 
1 1 1   31   15    7 o   17.170   0.4725   15.810   0.6725   18.540   0.6638 -2.723000 0.9449000 
1 1 1   31   15    8 o   4.6230   1.2340   4.5800   1.7160   4.6670   1.7720 -0.8774000E-01 2.467000 
1 1 1   31   15    9 o   9.2110   0.9806   9.8180   1.2350   8.6050   1.5240 1.213000 1.961000 
1 1 1   31   15   10 o   7.6720   1.4740   7.1100   2.2510   8.2340   1.9030 -1.123000 2.947000 
1 1 1   31   15   11 o   13.860   0.7422   12.830   1.1310   14.900   0.9614 -2.064000 1.484000 
1 1 1   31   15   12 o   16.070   0.5107   16.090   0.6977   16.050   0.7460 0.4506000E-01 1.021000 
1 1 1   31   15   13 o   9.3980   0.8305   9.8650   1.0880   8.9300   1.2550 0.9342000 1.661000 
1 1 1   31   15   14 f   22.040   0.4006   21.860   0.5498   22.210   0.5827 -0.3527000 0.8011000 
1 1 1   31   15   15 o   7.4750   1.0720   6.8980   1.5490   8.0520   1.4820 -1.153000 2.144000 
1 1 1   31   15   16 o   10.610   0.9016   10.460   1.1820   10.760   1.3610 -0.3085000 1.803000 
1 1 1   31   15   17 o   4.8750   1.3350   4.6380   1.8050   5.1110   1.9670 -0.4728000 2.670000 
1 1 1   31   15   18 o   5.0240   1.2720   4.7690   1.7420   5.2780   1.8530 -0.5092000 2.543000 
1 1 1   31   15   19 f   6.5330   1.2010   7.7250   1.5180   5.3410   1.8610 2.384000 2.402000 
1 1 1   31   15   20 o   9.2040   0.9787   9.3130   1.2670   9.0950   1.4920 0.2183000 1.957000 
1 1 1   31   15   21 o   7.2380   1.3400   6.7170   1.8740   7.7590   1.9170 -1.042000 2.681000 
1 1 1   31   15   22 o   4.2770   1.2090   2.9390   1.4130   5.6140   1.9620 -2.675000 2.418000 
1 1 1   31   15   23 o   3.7280   1.1880   3.8700   1.6940   3.5870   1.6660 0.2832000 2.376000 
1 1 1   31   15   24 o   7.7030   1.2690   8.6850   1.5830   6.7210   1.9850 1.964000 2.539000 
1 1 1   31   15   25 o   3.4700   1.1650   3.9790   1.8160   2.9610   1.4590 1.018000 2.329000 
1 1 1   31   15   26 o   2.8310   0.9981   2.9650   1.4640   2.6960   1.3570 0.2686000 1.996000 
1 1 1   31   15   27 o   2.9090   1.0020   2.9860   1.4430   2.8320   1.3890 0.1542000 2.004000 
1 1 1   31   15   28 o   2.4380   0.8643   2.3520   1.1860   2.5240   1.2570 -0.1711000 1.729000 
1 1 1   31   17    0 o   17.990   0.8832   19.300   0.5878   16.680   1.6660 2.617000 1.766000 
1 1 1   31   17    1 o   30.760   0.4608   30.740   0.4653   30.770   0.7954 -0.3073000E-01 0.9215000 
1 1 1   31   17    2 o   16.070   0.7000   15.270   0.7013   16.880   1.2120 -1.601000 1.400000 
1 1 1   31   17    3 o   12.210   0.9674   12.000   0.8791   12.410   1.7230 -0.4133000 1.935000 
1 1 1   31   17    4 o   11.290   0.9780   12.450   0.9489   10.120   1.7100 2.336000 1.956000 
1 1 1   31   17    5 o   19.160   0.4986   19.350   0.6597   18.970   0.7479 0.3769000 0.9972000 
1 1 1   31   17    6 o   27.220   0.4021   26.920   0.5472   27.530   0.5893 -0.6058000 0.8042000 
1 1 1   31   17    7 f   7.5660   1.1380   6.9730   1.6130   8.1580   1.6050 -1.185000 2.276000 
1 1 1   31   17    8 o   12.140   0.7364   12.320   0.8704   11.960   1.1880 0.3617000 1.473000 
1 1 1   31   17    9 o   6.9290   1.2610   8.8350   1.6370   5.0230   1.9190 3.812000 2.522000 
1 1 1   31   17   10 o   10.990   0.7234   10.720   1.0170   11.270   1.0290 -0.5471000 1.447000 
1 1 1   31   17   11 o   19.310   0.4363   19.390   0.5968   19.240   0.6366 0.1572000 0.8726000 
1 1 1   31   17   12 o   4.8000   1.2310   4.5930   1.6930   5.0070   1.7870 -0.4144000 2.462000 
1 1 1   31   17   13 o   8.5980   0.9403   7.4340   1.4480   9.7620   1.2000 -2.328000 1.881000 
1 1 1   31   17   14 o   3.4250   1.0820   3.3210   1.4850   3.5290   1.5740 -0.2080000 2.164000 
1 1 1   31   17   15 o   11.500   0.8528   11.840   1.0560   11.150   1.3400 0.6870000 1.706000 
1 1 1   31   17   16 o   4.6310   1.2440   4.7030   1.7240   4.5580   1.7920 0.1453000 2.487000 
1 1 1   31   17   17 o   4.0370   1.1840   4.4450   1.7240   3.6280   1.6240 0.8162000 2.369000 
1 1 1   31   17   18 o   7.5140   1.1670   7.9770   1.4910   7.0510   1.7950 0.9260000 2.333000 
1 1 1   31   17   19 o   6.8360   1.3470   6.2250   1.9060   7.4480   1.9030 -1.222000 2.693000 
1 1 1   31   17   20 f   6.2250   1.2600   7.9670   1.6570   4.4820   1.9000 3.485000 2.521000 
1 1 1   31   17   21 f   4.0230   1.2150   4.6600   1.8380   3.3860   1.5880 1.275000 2.429000 
1 1 1   31   17   22 o   6.1680   1.3740   6.2410   1.8970   6.0950   1.9890 0.1464000 2.748000 
1 1 1   31   17   23 f   3.4160   1.1090   4.1540   1.7740   2.6770   1.3330 1.478000 2.219000 
1 1 1   31   17   24 o   3.7880   1.2880   3.8040   1.8360   3.7730   1.8070 0.3130000E-01 2.576000 
1 1 1   31   17   25 o   3.5540   1.1880   3.6830   1.7180   3.4250   1.6420 0.2575000 2.377000 
1 1 1   31   17   26 o   2.9720   1.0130   3.4900   1.6050   2.4540   1.2360 1.037000 2.026000 
1 1 1   31   17   27 o   2.2340   0.8149   2.1640   1.1080   2.3040   1.1960 -0.1406000 1.630000 
1 1 1   31   19    0 o   12.640   0.6815   12.340   0.9538   12.930   0.9737 -0.5840000 1.363000 
1 1 1   31   19    1 o   9.7970   0.8127   8.6290   1.2220   10.970   1.0720 -2.338000 1.625000 
1 1 1   31   19    2 o   14.990   0.5326   14.590   0.7440   15.400   0.7623 -0.8111000 1.065000 
1 1 1   31   19    3 o   10.380   0.7569   10.700   0.9850   10.060   1.1490 0.6494000 1.514000 
1 1 1   31   19    4 o   10.110   0.7841   9.1980   1.1510   11.020   1.0650 -1.817000 1.568000 
1 1 1   31   19    5 o   8.2190   1.0040   8.5640   1.2290   7.8740   1.5870 0.6898000 2.007000 
1 1 1   31   19    6 o   18.940   0.5544   18.680   0.7544   19.200   0.8126 -0.5190000 1.109000 
1 1 1   31   19    7 f   9.7740   1.2440   9.3840   1.4730   10.160   2.0050 -0.7803000 2.488000 
1 1 1   31   19    8 o   21.110   0.5651   20.390   0.5618   21.820   0.9806 -1.428000 1.130000 
1 1 1   31   19    9 o   16.080   0.7293   16.100   0.6738   16.050   1.2940 0.5166000E-01 1.459000 
1 1 1   31   19   10 o   8.3440   1.3190   9.2530   1.1390   7.4350   2.3780 1.818000 2.637000 
1 1 1   31   19   11 o   5.8120   1.4570   4.1540   1.6660   7.4690   2.3920 -3.314000 2.915000 
1 1 1   31   19   12 o   6.5520   1.4270   6.9010   1.5820   6.2040   2.3760 0.6969000 2.855000 
1 1 1   31   19   13 o   7.4360   1.4660   5.4670   1.8820   9.4060   2.2470 -3.939000 2.931000 
1 1 1   31   19   14 o   8.3460   1.4620   7.2110   1.8020   9.4810   2.3020 -2.271000 2.923000 
1 1 1   31   19   15 o   8.2470   1.4050   8.4750   1.4290   8.0190   2.4190 0.4560000 2.809000 
1 1 1   31   19   16 o   3.5340   1.2140   2.6510   1.3000   4.4170   2.0510 -1.766000 2.429000 
1 1 1   31   19   17 o   5.5560   1.4890   6.2370   1.8860   4.8750   2.3040 1.362000 2.978000 
1 1 1   31   19   18 o   3.8080   1.3030   3.3050   1.5630   4.3100   2.0840 -1.005000 2.605000 
1 1 1   31   19   19 o   4.4370   1.3950   3.1980   1.5100   5.6770   2.3460 -2.479000 2.790000 
1 1 1   31   19   20 o   5.2120   1.4890   3.7070   1.6650   6.7160   2.4680 -3.009000 2.977000 
1 1 1   31   19   21 o   5.0380   1.3990   5.6660   1.9120   4.4090   2.0420 1.257000 2.798000 
1 1 1   31   19   22 o   3.5390   1.1850   3.7620   1.7020   3.3170   1.6500 0.4450000 2.370000 
1 1 1   31   19   23 o   3.8010   1.3500   3.0280   1.5250   4.5730   2.2280 -1.546000 2.700000 
1 1 1   31   19   24 o   3.2490   1.0850   3.8840   1.7130   2.6140   1.3330 1.270000 2.170000 
1 1 1   31   19   25 o   2.1260   1.0820   2.1260   1.0820  ?   ?       ?      ? 
1 1 1   31   21    0 o   7.3190   1.1210   6.1690   1.6360   8.4690   1.5320 -2.299000 2.241000 
1 1 1   31   21    1 o   19.850   0.5187   19.810   0.6980   19.890   0.7674 -0.7968000E-01 1.037000 
1 1 1   31   21    2 f   8.2240   1.1930   10.010   1.3200   6.4340   1.9880 3.581000 2.387000 
1 1 1   31   21    3 o   8.6030   1.1330   8.0430   1.6200   9.1640   1.5840 -1.121000 2.266000 
1 1 1   31   21    4 o   4.5960   1.2710   3.4900   1.5950   5.7020   1.9800 -2.212000 2.543000 
1 1 1   31   21    5 o   7.0680   1.0960   5.6640   1.6760   8.4730   1.4120 -2.809000 2.192000 
1 1 1   31   21    6 o   13.150   0.6170   13.120   0.8009   13.180   0.9389 -0.5556000E-01 1.234000 
1 1 1   31   21    7 o   7.3710   1.1060   6.0330   1.6550   8.7090   1.4660 -2.675000 2.211000 
1 1 1   31   21    8 o   18.140   0.4777   18.740   0.6106   17.540   0.7348 1.198000 0.9554000 
1 1 1   31   21    9 o   6.4750   1.1350   8.0940   1.3320   4.8560   1.8380 3.238000 2.270000 
1 1 1   31   21   10 o   7.4510   1.1110   6.8100   1.5860   8.0930   1.5560 -1.283000 2.222000 
1 1 1   31   21   11 o   5.6590   1.3760   5.6460   1.8590   5.6730   2.0300 -0.2781000E-01 2.752000 
1 1 1   31   21   12 o   9.4400   1.1300   11.520   1.0860   7.3620   1.9820 4.156000 2.260000 
1 1 1   31   21   13 o   5.5200   1.3110   4.9400   1.8220   6.1000   1.8850 -1.160000 2.622000 
1 1 1   31   21   14 o   6.7360   1.2510   8.6330   1.5790   4.8380   1.9420 3.796000 2.503000 
1 1 1   31   21   15 o   6.5310   1.3600   7.6680   1.8070   5.3940   2.0340 2.275000 2.720000 
1 1 1   31   21   16 f   14.910   0.6679   16.540   0.8103   13.280   1.0620 3.259000 1.336000 
1 1 1   31   21   17 o   3.9630   1.2240   4.4110   1.8230   3.5150   1.6330 0.8956000 2.447000 
1 1 1   31   21   18 o   4.0870   1.2630   4.0820   1.7680   4.0930   1.8050 -0.1034000E-01 2.527000 
1 1 1   31   21   19 o   4.4850   1.2900   3.6100   1.6530   5.3610   1.9810 -1.751000 2.580000 
1 1 1   31   21   20 o   3.1390   1.0660   3.4430   1.6090   2.8340   1.3980 0.6095000 2.132000 
1 1 1   31   21   21 o   5.2240   1.5900   4.9060   2.1890   5.5430   2.3070 -0.6365000 3.181000 
1 1 1   31   21   22 o   3.3130   1.1220   3.7670   1.7480   2.8580   1.4070 0.9090000 2.244000 
1 1 1   31   21   23 o   2.6470   0.9297   2.3860   1.1990   2.9080   1.4210 -0.5217000 1.859000 
1 1 1   31   21   24 o   2.5350   0.9206   2.6710   1.3580   2.3990   1.2430 0.2726000 1.841000 
1 1 1   31   23    0 o   9.2490   0.9446   8.9110   1.2500   9.5880   1.4160 -0.6774000 1.889000 
1 1 1   31   23    1 o   4.8790   1.2520   5.3030   1.7610   4.4560   1.7800 0.8472000 2.504000 
1 1 1   31   23    2 o   6.6560   1.1700   7.6450   1.4450   5.6670   1.8420 1.978000 2.341000 
1 1 1   31   23    3 o   5.9140   1.2220   4.7310   1.7310   7.0970   1.7240 -2.366000 2.443000 
1 1 1   31   23    4 o   8.5420   0.9808   8.6990   1.2780   8.3840   1.4880 0.3153000 1.962000 
1 1 1   31   23    5 o   16.440   0.5218   15.690   0.7347   17.180   0.7412 -1.490000 1.044000 
1 1 1   31   23    6 o   8.5700   1.0430   8.9530   1.3870   8.1870   1.5580 0.7666000 2.086000 
1 1 1   31   23    7 f   8.3840   1.0370   8.2070   1.4100   8.5610   1.5200 -0.3544000 2.073000 
1 1 1   31   23    8 o   4.8810   1.3490   4.5480   1.8000   5.2130   2.0110 -0.6645000 2.699000 
1 1 1   31   23    9 o   4.1530   1.2390   4.8910   1.8710   3.4150   1.6240 1.476000 2.478000 
1 1 1   31   23   10 o   4.7210   1.3370   4.2160   1.7930   5.2250   1.9820 -1.010000 2.673000 
1 1 1   31   23   11 o   3.5020   1.1510   3.5050   1.6140   3.4990   1.6410 0.6017000E-02 2.301000 
1 1 1   31   23   12 o   13.140   0.8182   14.590   1.0020   11.690   1.2940 2.901000 1.636000 
1 1 1   31   23   13 o   4.9500   1.3290   5.3010   1.8820   4.6000   1.8770 0.7019000 2.658000 
1 1 1   31   23   14 o   5.2180   1.3730   4.5320   1.8810   5.9050   2.0010 -1.373000 2.747000 
1 1 1   31   23   15 f   7.8650   1.2590   8.7550   1.5890   6.9740   1.9520 1.781000 2.517000 
1 1 1   31   23   16 o   4.1290   1.2510   4.7190   1.8820   3.5400   1.6490 1.179000 2.502000 
1 1 1   31   23   17 o   4.5640   1.3120   4.0520   1.7650   5.0760   1.9410 -1.024000 2.623000 
1 1 1   31   23   18 o   3.1620   1.0860   3.6420   1.7030   2.6820   1.3460 0.9599000 2.171000 
1 1 1   31   23   19 o   3.5620   1.2100   3.3790   1.6230   3.7450   1.7940 -0.3661000 2.419000 
1 1 1   31   23   20 o   3.0370   1.0540   3.1060   1.5200   2.9670   1.4620 0.1396000 2.109000 
1 1 1   31   23   21 o   2.2760   0.8160   2.4750   1.2390   2.0780   1.0620 0.3973000 1.632000 
1 1 1   31   23   22 o   2.2320   0.8166   2.1550   1.1100   2.3080   1.1980 -0.1526000 1.633000 
1 1 1   31   25    0 o   6.6340   1.2980   6.8670   1.6910   6.4010   1.9690 0.4664000 2.595000 
1 1 1   31   25    1 o   3.4790   1.1080   3.8370   1.6490   3.1220   1.4800 0.7146000 2.216000 
1 1 1   31   25    2 o   11.580   0.7588   11.680   1.0180   11.480   1.1250 0.2065000 1.518000 
1 1 1   31   25    3 o   9.5830   0.9228   9.9260   1.2050   9.2400   1.3980 0.6859000 1.846000 
1 1 1   31   25    4 o   7.5570   1.4290   9.0630   1.8030   6.0510   2.2160 3.012000 2.857000 
1 1 1   31   25    5 f   5.4360   1.4930   5.5870   2.0860   5.2850   2.1370 0.3017000 2.986000 
1 1 1   31   25    6 o   8.3450   1.4270   8.6930   1.8820   7.9970   2.1450 0.6963000 2.853000 
1 1 1   31   25    7 o   8.5930   1.1800   7.9690   1.7610   9.2180   1.5720 -1.249000 2.361000 
1 1 1   31   25    8 o   3.1870   1.0600   3.1240   1.4710   3.2510   1.5260 -0.1270000 2.120000 
1 1 1   31   25    9 o   5.2100   1.2730   6.2410   1.8370   4.1780   1.7640 2.063000 2.546000 
1 1 1   31   25   10 o   6.2560   1.1820   8.4480   1.5910   4.0630   1.7480 4.385000 2.363000 
1 1 1   31   25   11 o   12.420   0.7657   12.470   1.0440   12.370   1.1210 0.9803000E-01 1.531000 
1 1 1   31   25   12 o   3.1270   1.0460   3.6730   1.6480   2.5810   1.2880 1.093000 2.091000 
1 1 1   31   25   13 o   9.7710   1.0220   9.3340   1.4830   10.210   1.4080 -0.8742000 2.045000 
1 1 1   31   25   14 o   4.8110   1.3520   4.7050   1.8830   4.9180   1.9410 -0.2132000 2.704000 
1 1 1   31   25   15 o   4.8350   1.3060   6.5310   2.1150   3.1380   1.5330 3.393000 2.612000 
1 1 1   31   25   16 f   3.6190   1.2000   3.8050   1.7500   3.4330   1.6430 0.3723000 2.400000 
1 1 1   31   25   17 o   2.6820   0.9459   2.7550   1.3580   2.6090   1.3180 0.1463000 1.892000 
1 1 1   31   25   18 o   3.1450   1.0830   3.3440   1.6050   2.9450   1.4540 0.3986000 2.165000 
1 1 1   31   25   19 o   2.7170   0.9452   2.8310   1.3770   2.6030   1.2950 0.2279000 1.890000 
1 1 1   31   27    0 o   8.3280   1.3610   8.6980   1.6500   7.9570   2.1640 0.7409000 2.721000 
1 1 1   31   27    1 o   16.220   0.5915   16.350   0.8071   16.090   0.8649 0.2525000 1.183000 
1 1 1   31   27    2 o   6.8010   1.2900   7.4090   1.7220   6.1940   1.9220 1.216000 2.581000 
1 1 1   31   27    3 o   5.8750   1.3100   6.7690   1.8130   4.9820   1.8910 1.787000 2.620000 
1 1 1   31   27    4 o   8.3300   1.0960   8.0780   1.5700   8.5810   1.5300 -0.5029000 2.192000 
1 1 1   31   27    5 o   4.7700   1.3060   5.0660   1.8710   4.4750   1.8240 0.5915000 2.613000 
1 1 1   31   27    6 o   11.200   0.8259   11.380   1.1370   11.020   1.1990 0.3579000 1.652000 
1 1 1   31   27    7 o   4.7020   1.1550   2.8040   1.3690   6.6010   1.8610 -3.797000 2.310000 
1 1 1   31   27    8 o   2.8310   0.9769   2.9910   1.4410   2.6710   1.3190 0.3192000 1.954000 
1 1 1   31   27    9 o   4.4270   1.2820   4.6320   1.8370   4.2220   1.7890 0.4106000 2.565000 
1 1 1   31   27   10 o   4.7000   1.2900   5.4990   1.9140   3.9010   1.7300 1.598000 2.580000 
1 1 1   31   27   11 o   5.0020   1.3760   6.1510   2.1010   3.8530   1.7770 2.297000 2.752000 
1 1 1   31   27   12 o   4.5870   1.3740   4.3020   1.8750   4.8710   2.0100 -0.5682000 2.749000 
1 1 1   31   27   13 o   3.5170   1.1750   3.1080   1.5150   3.9260   1.7970 -0.8172000 2.351000 
1 1 1   31   27   14 o   4.2920   1.2580   3.5960   1.6410   4.9880   1.9080 -1.392000 2.517000 
1 1 1   31   27   15 o   2.7210   0.9628   3.0680   1.4990   2.3740   1.2080 0.6938000 1.926000 
1 1 1   31   27   16 o   2.8770   1.0190   2.9910   1.5000   2.7640   1.3800 0.2273000 2.038000 
1 1 1   31   27   17 o   1.9460   0.7163   1.9020   0.9904   1.9900   1.0350 -0.8719000E-01 1.433000 
1 1 1   31   29    0 o   4.7980   1.3030   5.1280   1.8450   4.4670   1.8390 0.6609000 2.605000 
1 1 1   31   29    1 o   5.0400   1.1520   6.9580   1.7490   3.1220   1.4990 3.836000 2.304000 
1 1 1   31   29    2 o   6.9380   1.2960   6.8750   1.7880   7.0010   1.8770 -0.1257000 2.592000 
1 1 1   31   29    3 o   3.2310   1.0690   2.3450   1.1800   4.1180   1.7840 -1.772000 2.139000 
1 1 1   31   29    4 o   6.3550   1.3480   7.0970   1.8160   5.6130   1.9920 1.485000 2.696000 
1 1 1   31   29    5 o   4.4150   1.3240   5.0050   1.9800   3.8250   1.7590 1.180000 2.649000 
1 1 1   31   29    6 o   5.4020   1.3900   3.9990   1.8010   6.8040   2.1170 -2.805000 2.780000 
1 1 1   31   29    7 o   3.5460   1.1760   3.0000   1.4730   4.0920   1.8350 -1.091000 2.353000 
1 1 1   31   29    8 o   3.8690   1.2340   3.3940   1.6090   4.3440   1.8730 -0.9502000 2.469000 
1 1 1   31   29    9 o   4.1570   1.1770   5.4810   1.9040   2.8330   1.3850 2.647000 2.354000 
1 1 1   31   29   10 o   3.1100   1.0470   3.3340   1.5540   2.8870   1.4040 0.4472000 2.095000 
1 1 1   31   29   11 o   2.7680   0.9580   2.2980   1.1580   3.2380   1.5270 -0.9401000 1.916000 
1 1 1   31   29   12 f   2.6650   0.9423   2.5750   1.2930   2.7550   1.3720 -0.1798000 1.885000 
1 1 1   31   29   13 o   3.0850   1.0640   2.6230   1.3150   3.5460   1.6730 -0.9234000 2.128000 
1 1 1   31   31    0 o   4.2240   1.1740   5.5740   1.8900   2.8750   1.3940 2.698000 2.349000 
1 1 1   31   31    1 o   3.8780   1.1980   3.5630   1.6140   4.1930   1.7710 -0.6300000 2.396000 
1 1 1   31   31    2 o   5.1180   1.3290   5.1760   1.8730   5.0590   1.8850 0.1178000 2.657000 
1 1 1   31   31    3 o   3.9690   1.2110   4.3690   1.7970   3.5690   1.6240 0.8002000 2.423000 
1 1 1   31   31    4 o   2.7170   0.9448   2.2770   1.1500   3.1560   1.5000 -0.8788000 1.890000 
1 1 1   31   31    5 o   2.3830   0.8456   2.2360   1.1300   2.5290   1.2580 -0.2931000 1.691000 
1 1 1   31   31    6 o   2.5190   0.8850   2.6380   1.2990   2.3990   1.2020 0.2390000 1.770000 
1 1 1   31   31    7 o   3.6800   1.1250   4.7010   1.8280   2.6580   1.3110 2.043000 2.249000 
1 1 1   31   31    8 o   2.3260   0.8455   2.0590   1.0560   2.5940   1.3210 -0.5358000 1.691000 
1 1 1   32    0    0 f   95.120   0.8514   95.120   0.8514   95.120   0.8514 0.000000 0.000000 
1 1 1   32    0    1 o   89.080   1.1300   89.080   1.1300   89.080   1.1300 0.000000 0.000000 
1 1 1   32    0    2 o   22.750   0.4932   22.750   0.4932   22.750   0.4932 0.000000 0.000000 
1 1 1   32    0    3 o   39.300   0.5669   39.300   0.5669   39.300   0.5669 -0.000000 0.000000 
1 1 1   32    0    4 f   5.1730   1.9590   5.1730   1.9590   5.1730   1.9590 0.000000 0.000000 
1 1 1   32    0    5 o   30.480   0.8221   30.480   0.8221   30.480   0.8221 -0.000000 0.000000 
1 1 1   32    0    6 o   45.480   0.6476   45.480   0.6476   45.480   0.6476 -0.000000 0.000000 
1 1 1   32    0    7 o   5.9390   2.1060   5.9390   2.1060   5.9390   2.1060 0.000000 0.000000 
1 1 1   32    0    8 f   9.6660   1.2700   9.6660   1.2700   9.6660   1.2700 0.000000 0.000000 
1 1 1   32    0    9 o   17.510   0.7690   17.510   0.7690   17.510   0.7690 -0.000000 0.000000 
1 1 1   32    0   10 o   18.780   0.7814   18.780   0.7814   18.780   0.7814 -0.000000 0.000000 
1 1 1   32    0   11 o   3.9680   2.2400   3.9680   2.2400   3.9680   2.2400 -0.000000 0.000000 
1 1 1   32    0   12 o   9.3640   1.4350   9.3640   1.4350   9.3640   1.4350 -0.000000 0.000000 
1 1 1   32    0   13 o   2.3460   1.5820   2.3460   1.5820   2.3460   1.5820 0.000000 0.000000 
1 1 1   32    0   14 o   9.1410   1.6900   9.1410   1.6900   9.1410   1.6900 0.000000 0.000000 
1 1 1   32    0   15 o   2.7490   1.7620   2.7490   1.7620   2.7490   1.7620 -0.000000 0.000000 
1 1 1   32    0   16 o   17.150   0.6497   17.150   0.6497   17.150   0.6497 -0.000000 0.000000 
1 1 1   32    0   17 o   24.260   0.5283   24.260   0.5283   24.260   0.5283 -0.000000 0.000000 
1 1 1   32    0   18 o   12.090   0.8836   12.090   0.8836   12.090   0.8836 -0.000000 0.000000 
1 1 1   32    0   19 o   4.8070   2.4800   4.8070   2.4800   4.8070   2.4800 0.000000 0.000000 
1 1 1   32    0   20 o   2.4230   1.6050   2.4230   1.6050   2.4230   1.6050 0.000000 0.000000 
1 1 1   32    0   21 o   4.8150   2.0580   4.8150   2.0580   4.8150   2.0580 -0.000000 0.000000 
1 1 1   32    0   22 o   2.7210   1.7300   2.7210   1.7300   2.7210   1.7300 0.000000 0.000000 
1 1 1   32    0   23 o   12.540   0.8983   12.540   0.8983   12.540   0.8983 -0.000000 0.000000 
1 1 1   32    0   24 o   1.6330   1.1870   1.6330   1.1870   1.6330   1.1870 0.000000 0.000000 
1 1 1   32    0   25 o   5.1620   2.2470   5.1620   2.2470   5.1620   2.2470 0.000000 0.000000 
1 1 1   32    0   26 o   5.8040   2.2640   5.8040   2.2640   5.8040   2.2640 -0.000000 0.000000 
1 1 1   32    0   27 o   2.9840   2.0200   2.9840   2.0200   2.9840   2.0200 0.000000 0.000000 
1 1 1   32    0   28 o   7.0180   2.2120   7.0180   2.2120   7.0180   2.2120 0.000000 0.000000 
1 1 1   32    0   29 f   2.1210   1.5050   2.1210   1.5050   2.1210   1.5050 0.000000 0.000000 
1 1 1   32    0   30 o   2.8330   1.8640   2.8330   1.8640   2.8330   1.8640 0.000000 0.000000 
1 1 1   32    0   31 o   3.1580   2.1180   3.1580   2.1180   3.1580   2.1180 0.000000 0.000000 
1 1 1   32    2    0 o   47.460   0.5374   47.050   0.6251   47.880   0.8744 -0.8241000 1.075000 
1 1 1   32    2    1 o   68.790   0.5109   69.450   0.7290   68.130   0.7159 1.323000 1.022000 
1 1 1   32    2    2 o   57.000   0.4037   56.380   0.5245   57.610   0.6138 -1.229000 0.8074000 
1 1 1   32    2    3 o   49.350   0.3852   49.590   0.5484   49.110   0.5411 0.4787000 0.7704000 
1 1 1   32    2    4 o   26.410   0.3814   25.190   0.5132   27.640   0.5643 -2.451000 0.7628000 
1 1 1   32    2    5 o   66.070   0.5004   66.320   0.7095   65.830   0.7057 0.4909000 1.001000 
1 1 1   32    2    6 o   66.260   0.5031   65.680   0.7043   66.840   0.7186 -1.164000 1.006000 
1 1 1   32    2    7 o   45.420   0.3301   45.310   0.4656   45.530   0.4680 -0.2192000 0.6601000 
1 1 1   32    2    8 o   16.050   0.4177   16.260   0.5874   15.840   0.5940 0.4199000 0.8354000 
1 1 1   32    2    9 o   21.970   0.3546   22.100   0.4985   21.840   0.5043 0.2570000 0.7091000 
1 1 1   32    2   10 o   24.710   0.3472   24.680   0.4978   24.740   0.4841 -0.5684000E-01 0.6943000 
1 1 1   32    2   11 o   25.500   0.4321   25.340   0.7079   25.660   0.4957 -0.3196000 0.8642000 
1 1 1   32    2   12 o   21.150   0.4855   20.460   0.8000   21.830   0.5502 -1.372000 0.9709000 
1 1 1   32    2   13 o   6.6840   1.2830   4.9030   2.0650   8.4660   1.5230 -3.563000 2.565000 
1 1 1   32    2   14 o   13.290   0.9092   12.520   1.4970   14.060   1.0320 -1.548000 1.818000 
1 1 1   32    2   15 o   13.660   0.7361   14.860   1.0900   12.450   0.9899 2.407000 1.472000 
1 1 1   32    2   16 o   25.570   0.4309   25.590   0.6997   25.540   0.5031 0.5028000E-01 0.8618000 
1 1 1   32    2   17 o   16.770   0.5981   16.490   0.9918   17.050   0.6688 -0.5593000 1.196000 
1 1 1   32    2   18 o   10.330   1.4960   10.820   2.7290   9.8470   1.2250 0.9706000 2.992000 
1 1 1   32    2   19 o   7.0480   1.6660   6.4870   2.6110   7.6090   2.0690 -1.122000 3.332000 
1 1 1   32    2   20 o   9.5120   0.9246   9.9180   1.4230   9.1050   1.1810 0.8128000 1.849000 
1 1 1   32    2   21 o   5.0700   1.3020   5.1210   1.9460   5.0180   1.7300 0.1037000 2.604000 
1 1 1   32    2   22 o   4.1260   1.2370   4.6800   1.9150   3.5710   1.5670 1.109000 2.475000 
1 1 1   32    2   23 o   3.3350   1.0980   3.9310   1.7530   2.7400   1.3220 1.190000 2.195000 
1 1 1   32    2   24 o   5.4240   1.2920   4.3680   1.9060   6.4800   1.7450 -2.112000 2.584000 
1 1 1   32    2   25 o   4.1420   1.2670   4.1140   1.8540   4.1700   1.7290 -0.5529000E-01 2.535000 
1 1 1   32    2   26 o   4.8390   1.4020   5.1780   2.1480   4.5000   1.8010 0.6780000 2.803000 
1 1 1   32    2   27 o   3.6740   1.2600   3.7860   1.8480   3.5620   1.7120 0.2237000 2.519000 
1 1 1   32    2   28 o   3.7340   1.2350   3.9570   1.8490   3.5110   1.6380 0.4458000 2.470000 
1 1 1   32    2   29 o   4.0740   1.3020   4.1200   1.9020   4.0280   1.7770 0.9156000E-01 2.603000 
1 1 1   32    2   30 o   3.2620   1.1330   3.8240   1.8140   2.7000   1.3580 1.124000 2.266000 
1 1 1   32    2   31 o   2.7840   1.0060   2.9560   1.5100   2.6110   1.3310 0.3453000 2.013000 
1 1 1   32    4    0 o   52.070   0.4437   53.590   0.7022   50.560   0.5427 3.035000 0.8875000 
1 1 1   32    4    1 o   65.970   0.7302   65.440   1.1820   66.500   0.8570 -1.056000 1.460000 
1 1 1   32    4    2 o   64.250   0.4797   63.940   0.6755   64.560   0.6812 -0.6200000 0.9594000 
1 1 1   32    4    3 o   19.290   0.2759   19.520   0.3927   19.070   0.3875 0.4439000 0.5517000 
1 1 1   32    4    4 f   22.710   0.2731   22.390   0.3899   23.030   0.3824 -0.6352000 0.5461000 
1 1 1   32    4    5 o   16.410   0.3470   16.350   0.4906   16.480   0.4908 -0.1357000 0.6940000 
1 1 1   32    4    6 o   32.620   0.3468   32.910   0.4800   32.340   0.5007 0.5759000 0.6936000 
1 1 1   32    4    7 o   11.110   0.5643   10.600   0.8317   11.610   0.7631 -1.012000 1.129000 
1 1 1   32    4    8 o   49.630   0.3550   49.600   0.5019   49.660   0.5022 -0.6660000E-01 0.7100000 
1 1 1   32    4    9 o   58.510   0.4005   58.420   0.5640   58.600   0.5688 -0.1861000 0.8011000 
1 1 1   32    4   10 f   47.350   0.3529   47.470   0.4971   47.230   0.5012 0.2451000 0.7059000 
1 1 1   32    4   11 o   37.650   0.3322   38.070   0.4697   37.230   0.4700 0.8408000 0.6644000 
1 1 1   32    4   12 o   34.270   0.3485   34.170   0.5082   34.360   0.4769 -0.1875000 0.6969000 
1 1 1   32    4   13 o   6.6000   1.1770   4.8700   1.7880   8.3300   1.5320 -3.460000 2.354000 
1 1 1   32    4   14 o   10.520   0.8552   10.080   1.3040   10.950   1.1070 -0.8678000 1.710000 
1 1 1   32    4   15 o   4.6440   1.1980   6.0620   1.8740   3.2260   1.4940 2.836000 2.396000 
1 1 1   32    4   16 o   12.150   0.6280   12.970   0.8014   11.330   0.9672 1.645000 1.256000 
1 1 1   32    4   17 o   20.620   0.4030   21.070   0.5478   20.160   0.5913 0.9093000 0.8060000 
1 1 1   32    4   18 o   4.3500   1.2480   4.7090   1.8470   3.9910   1.6770 0.7181000 2.495000 
1 1 1   32    4   19 o   6.0790   1.2970   6.3800   1.7230   5.7790   1.9390 0.6010000 2.594000 
1 1 1   32    4   20 o   4.0740   1.1600   4.4400   1.6730   3.7080   1.6090 0.7313000 2.321000 
1 1 1   32    4   21 o   6.4980   1.1230   6.0700   1.6200   6.9260   1.5570 -0.8556000 2.247000 
1 1 1   32    4   22 o   3.7760   1.1320   3.4740   1.5250   4.0780   1.6740 -0.6040000 2.265000 
1 1 1   32    4   23 o   8.8450   0.9084   8.6270   1.2940   9.0630   1.2750 -0.4353000 1.817000 
1 1 1   32    4   24 o   3.6020   1.1210   3.3310   1.5110   3.8720   1.6580 -0.5407000 2.243000 
1 1 1   32    4   25 f   3.3870   1.1000   3.1140   1.4660   3.6600   1.6390 -0.5456000 2.199000 
1 1 1   32    4   26 o   3.6710   1.1810   4.0640   1.7750   3.2780   1.5580 0.7859000 2.362000 
1 1 1   32    4   27 o   4.6510   1.3020   6.1270   2.1040   3.1750   1.5350 2.952000 2.604000 
1 1 1   32    4   28 o   3.5420   1.1580   3.2900   1.5550   3.7950   1.7160 -0.5045000 2.316000 
1 1 1   32    4   29 o   4.5680   1.2970   5.4230   1.9660   3.7120   1.6920 1.711000 2.594000 
1 1 1   32    4   30 o   4.0600   1.2850   4.7230   1.9930   3.3970   1.6250 1.326000 2.571000 
1 1 1   32    4   31 o   3.2270   1.1020   3.6990   1.7220   2.7540   1.3760 0.9453000 2.204000 
1 1 1   32    6    0 o   39.650   0.3886   39.710   0.4727   39.590   0.6170 0.1208000 0.7773000 
1 1 1   32    6    1 o   31.350   0.3646   32.580   0.5843   30.120   0.4363 2.458000 0.7292000 
1 1 1   32    6    2 o   9.8720   0.4554   10.180   0.6223   9.5660   0.6649 0.6123000 0.9107000 
1 1 1   32    6    3 o   41.840   0.3056   41.820   0.4323   41.860   0.4321 -0.4024000E-01 0.6112000 
1 1 1   32    6    4 o   65.420   0.4624   66.130   0.6125   64.710   0.6930 1.421000 0.9248000 
1 1 1   32    6    5 o   50.600   0.3869   50.380   0.4976   50.830   0.5927 -0.4446000 0.7739000 
1 1 1   32    6    6 o   14.960   0.5505   15.200   0.7049   14.720   0.8457 0.4793000 1.101000 
1 1 1   32    6    7 o   37.530   0.3476   36.840   0.4334   38.210   0.5436 -1.374000 0.6952000 
1 1 1   32    6    8 o   16.280   0.4437   15.810   0.6207   16.750   0.6341 -0.9427000 0.8873000 
1 1 1   32    6    9 o   29.860   0.3288   29.710   0.4530   30.010   0.4767 -0.2975000 0.6576000 
1 1 1   32    6   10 o   6.3740   1.1510   5.9160   1.6520   6.8330   1.6030 -0.9177000 2.302000 
1 1 1   32    6   11 o   37.990   0.3769   37.680   0.5167   38.300   0.5487 -0.6119000 0.7537000 
1 1 1   32    6   12 o   17.800   0.5054   18.090   0.6736   17.520   0.7536 0.5690000 1.011000 
1 1 1   32    6   13 o   5.3790   1.2360   5.7140   1.7010   5.0440   1.7930 0.6698000 2.471000 
1 1 1   32    6   14 o   19.730   0.4992   19.060   0.7360   20.410   0.6746 -1.359000 0.9984000 
1 1 1   32    6   15 o   8.5130   1.0810   9.8830   1.3010   7.1440   1.7260 2.740000 2.161000 
1 1 1   32    6   16 o   16.220   0.4766   16.170   0.6474   16.260   0.6995 -0.9273000E-01 0.9532000 
1 1 1   32    6   17 o   16.880   0.5588   16.530   0.8237   17.240   0.7552 -0.7091000 1.118000 
1 1 1   32    6   18 o   9.7710   0.7917   10.250   1.0250   9.2960   1.2070 0.9501000 1.583000 
1 1 1   32    6   19 o   6.0050   1.2840   7.0800   1.6720   4.9300   1.9490 2.150000 2.568000 
1 1 1   32    6   20 o   7.7440   1.0180   9.2980   1.1320   6.1890   1.6910 3.109000 2.035000 
1 1 1   32    6   21 o   5.6600   1.1880   4.7130   1.6900   6.6060   1.6690 -1.894000 2.375000 
1 1 1   32    6   22 o   3.7400   1.1190   3.0080   1.4050   4.4710   1.7420 -1.464000 2.238000 
1 1 1   32    6   23 o   3.7170   1.1400   3.6050   1.5740   3.8290   1.6490 -0.2232000 2.280000 
1 1 1   32    6   24 o   3.5570   1.1160   3.1660   1.4700   3.9480   1.6790 -0.7819000 2.232000 
1 1 1   32    6   25 f   7.6550   1.1830   8.3160   1.4800   6.9940   1.8460 1.322000 2.366000 
1 1 1   32    6   26 o   5.1840   1.4020   5.1160   1.9520   5.2520   2.0120 -0.1360000 2.803000 
1 1 1   32    6   27 o   3.7260   1.2220   3.7230   1.7280   3.7290   1.7290 -0.5604000E-02 2.445000 
1 1 1   32    6   28 o   3.7040   1.1790   3.8510   1.6950   3.5570   1.6380 0.2940000 2.357000 
1 1 1   32    6   29 o   2.7670   0.9659   2.5430   1.2730   2.9910   1.4530 -0.4479000 1.932000 
1 1 1   32    6   30 o   3.1020   1.0720   2.8690   1.4280   3.3350   1.5990 -0.4668000 2.143000 
1 1 1   32    6   31 o   2.6330   0.9345   2.6990   1.3520   2.5670   1.2900 0.1321000 1.869000 
1 1 1   32    8    0 o   50.570   0.4048   50.190   0.5655   50.960   0.5794 -0.7671000 0.8096000 
1 1 1   32    8    1 f   50.590   0.3467   50.460   0.4866   50.710   0.4939 -0.2535000 0.6933000 
1 1 1   32    8    2 o   22.950   0.3172   22.000   0.3887   23.910   0.5015 -1.906000 0.6345000 
1 1 1   32    8    3 o   21.380   0.3135   21.010   0.4447   21.760   0.4421 -0.7439000 0.6271000 
1 1 1   32    8    4 o   25.060   0.3049   25.410   0.4237   24.710   0.4385 0.6928000 0.6098000 
1 1 1   32    8    5 o   32.540   0.3726   32.790   0.5103   32.280   0.5430 0.5160000 0.7451000 
1 1 1   32    8    6 o   57.360   0.3977   56.970   0.5589   57.760   0.5659 -0.7883000 0.7954000 
1 1 1   32    8    7 o   26.800   0.3663   27.430   0.5437   26.160   0.4911 1.264000 0.7327000 
1 1 1   32    8    8 f   36.890   0.3667   36.450   0.5594   37.340   0.4744 -0.8917000 0.7335000 
1 1 1   32    8    9 o   18.840   0.4287   18.890   0.5858   18.790   0.6260 0.9856000E-01 0.8573000 
1 1 1   32    8   10 o   45.730   0.3981   44.900   0.5511   46.560   0.5747 -1.663000 0.7962000 
1 1 1   32    8   11 o   22.740   0.3922   23.200   0.5378   22.270   0.5709 0.9363000 0.7844000 
1 1 1   32    8   12 o   11.360   0.6912   11.090   0.9799   11.640   0.9750 -0.5479000 1.382000 
1 1 1   32    8   13 o   17.690   0.4663   17.830   0.6428   17.550   0.6756 0.2886000 0.9325000 
1 1 1   32    8   14 o   24.260   0.4351   23.800   0.6357   24.730   0.5944 -0.9257000 0.8703000 
1 1 1   32    8   15 o   16.160   0.4857   15.280   0.7044   17.040   0.6687 -1.753000 0.9713000 
1 1 1   32    8   16 o   3.5990   1.1200   2.8570   1.3850   4.3410   1.7600 -1.484000 2.239000 
1 1 1   32    8   17 o   5.6520   1.2270   5.7890   1.7150   5.5150   1.7550 0.2745000 2.454000 
1 1 1   32    8   18 o   14.380   0.5525   14.450   0.7536   14.310   0.8082 0.1415000 1.105000 
1 1 1   32    8   19 o   3.9590   1.2090   3.5830   1.5760   4.3340   1.8350 -0.7511000 2.419000 
1 1 1   32    8   20 o   5.0540   1.2140   5.3620   1.6910   4.7460   1.7440 0.6158000 2.429000 
1 1 1   32    8   21 o   5.3330   1.2210   4.6970   1.7180   5.9700   1.7370 -1.273000 2.443000 
1 1 1   32    8   22 o   9.1230   0.8959   8.5070   1.3060   9.7390   1.2270 -1.232000 1.792000 
1 1 1   32    8   23 o   3.5240   1.1160   3.0650   1.4390   3.9820   1.7050 -0.9167000 2.231000 
1 1 1   32    8   24 o   3.8140   1.1770   3.8690   1.6630   3.7590   1.6650 0.1105000 2.353000 
1 1 1   32    8   25 o   4.9510   1.2100   6.6290   1.8490   3.2720   1.5590 3.357000 2.419000 
1 1 1   32    8   26 o   4.5450   1.3170   4.4140   1.8280   4.6760   1.8970 -0.2619000 2.635000 
1 1 1   32    8   27 o   3.8670   1.2580   3.8380   1.7660   3.8960   1.7930 -0.5857000E-01 2.516000 
1 1 1   32    8   28 f   3.8790   1.2160   4.2480   1.8010   3.5100   1.6360 0.7379000 2.433000 
1 1 1   32    8   29 o   3.4070   1.1570   3.2940   1.6020   3.5200   1.6700 -0.2263000 2.314000 
1 1 1   32    8   30 o   3.0050   1.0280   3.4630   1.6150   2.5460   1.2740 0.9175000 2.057000 
1 1 1   32   10    0 o   67.200   0.4426   67.660   0.6277   66.750   0.6240 0.9119000 0.8851000 
1 1 1   32   10    1 o   6.7470   1.0500   7.9500   1.1710   5.5450   1.7430 2.405000 2.099000 
1 1 1   32   10    2 f   49.540   0.3552   49.820   0.4992   49.270   0.5055 0.5509000 0.7105000 
1 1 1   32   10    3 o   19.810   0.3661   19.790   0.4875   19.830   0.5463 -0.4184000E-01 0.7322000 
1 1 1   32   10    4 o   36.510   0.4014   36.170   0.5878   36.850   0.5468 -0.6737000 0.8028000 
1 1 1   32   10    5 o   24.250   0.3495   24.250   0.4736   24.260   0.5142 -0.8654000E-02 0.6991000 
1 1 1   32   10    6 o   13.220   0.5628   13.490   0.7449   12.950   0.8439 0.5420000 1.126000 
1 1 1   32   10    7 o   20.680   0.4255   20.850   0.5711   20.510   0.6309 0.3444000 0.8510000 
1 1 1   32   10    8 o   18.900   0.4687   18.530   0.6173   19.270   0.7055 -0.7409000 0.9375000 
1 1 1   32   10    9 o   58.610   0.4125   58.200   0.5794   59.030   0.5872 -0.8279000 0.8249000 
1 1 1   32   10   10 o   19.460   0.4346   19.520   0.6004   19.390   0.6286 0.1331000 0.8693000 
1 1 1   32   10   11 o   9.3780   0.8581   10.230   1.0460   8.5260   1.3600 1.704000 1.716000 
1 1 1   32   10   12 o   3.4340   1.0780   3.0500   1.4120   3.8180   1.6280 -0.7679000 2.155000 
1 1 1   32   10   13 o   4.4130   1.2650   3.8260   1.7130   5.0010   1.8620 -1.175000 2.530000 
1 1 1   32   10   14 o   5.3140   1.4450   6.5240   2.2630   4.1050   1.7990 2.418000 2.890000 
1 1 1   32   10   15 o   3.8990   1.1840   3.7610   1.6480   4.0360   1.6990 -0.2746000 2.367000 
1 1 1   32   10   16 o   11.470   0.6683   11.610   0.8925   11.330   0.9950 0.2805000 1.337000 
1 1 1   32   10   17 o   7.3600   1.0380   6.4670   1.5800   8.2520   1.3460 -1.785000 2.076000 
1 1 1   32   10   18 o   5.3020   1.2740   3.7690   1.6340   6.8350   1.9540 -3.066000 2.547000 
1 1 1   32   10   19 o   5.2220   1.3410   5.2420   1.8140   5.2020   1.9750 0.3959000E-01 2.682000 
1 1 1   32   10   20 o   8.2150   0.9529   8.1350   1.3040   8.2960   1.3900 -0.1611000 1.906000 
1 1 1   32   10   21 o   4.3570   1.2020   4.6870   1.7090   4.0270   1.6910 0.6603000 2.404000 
1 1 1   32   10   22 o   3.1650   1.0330   3.5660   1.5700   2.7640   1.3420 0.8024000 2.065000 
1 1 1   32   10   23 o   3.3720   1.0900   3.5350   1.5770   3.2090   1.5050 0.3265000 2.180000 
1 1 1   32   10   24 o   3.8820   1.2210   4.1050   1.7680   3.6600   1.6840 0.4450000 2.441000 
1 1 1   32   10   25 o   4.6970   1.3170   4.8770   1.8600   4.5180   1.8650 0.3590000 2.634000 
1 1 1   32   10   26 o   5.3930   1.4480   5.7210   2.0620   5.0650   2.0340 0.6561000 2.896000 
1 1 1   32   10   27 o   4.6290   1.3150   3.9660   1.7330   5.2920   1.9770 -1.326000 2.629000 
1 1 1   32   10   28 o   3.4080   1.1570   3.6490   1.7220   3.1680   1.5470 0.4807000 2.314000 
1 1 1   32   10   29 o   3.1490   1.0880   3.8180   1.7760   2.4790   1.2560 1.338000 2.175000 
1 1 1   32   10   30 o   2.8450   0.9970   2.6620   1.3340   3.0280   1.4820 -0.3659000 1.994000 
1 1 1   32   12    0 o   18.540   0.4054   18.090   0.5578   19.000   0.5886 -0.9095000 0.8109000 
1 1 1   32   12    1 o   27.190   0.3920   28.700   0.5129   25.680   0.5930 3.021000 0.7841000 
1 1 1   32   12    2 o   13.290   0.6676   14.530   0.7601   12.040   1.0980 2.483000 1.335000 
1 1 1   32   12    3 o   7.8260   1.2620   7.0900   1.7330   8.5620   1.8350 -1.472000 2.524000 
1 1 1   32   12    4 o   48.600   0.4119   48.610   0.5754   48.600   0.5896 0.1172000E-01 0.8238000 
1 1 1   32   12    5 o   30.340   0.3667   29.880   0.5032   30.800   0.5335 -0.9225000 0.7334000 
1 1 1   32   12    6 o   24.960   0.3747   25.090   0.5092   24.830   0.5498 0.2595000 0.7494000 
1 1 1   32   12    7 o   27.140   0.3546   27.390   0.4883   26.890   0.5143 0.4949000 0.7091000 
1 1 1   32   12    8 o   15.020   0.5422   15.590   0.7341   14.450   0.7982 1.136000 1.084000 
1 1 1   32   12    9 o   31.970   0.3441   32.140   0.4795   31.800   0.4937 0.3378000 0.6883000 
1 1 1   32   12   10 o   10.950   0.7290   10.020   1.0920   11.890   0.9656 -1.868000 1.458000 
1 1 1   32   12   11 o   9.0790   0.8696   9.6200   1.0850   8.5380   1.3590 1.081000 1.739000 
1 1 1   32   12   12 o   9.8150   1.2530   8.7900   2.0840   10.840   1.3920 -2.050000 2.506000 
1 1 1   32   12   13 o   5.5960   1.5010   5.6180   2.2150   5.5740   2.0260 0.4379000E-01 3.002000 
1 1 1   32   12   14 o   12.640   0.6172   12.760   0.8314   12.520   0.9123 0.2414000 1.234000 
1 1 1   32   12   15 o   22.440   0.3901   22.600   0.5280   22.280   0.5744 0.3282000 0.7802000 
1 1 1   32   12   16 o   5.8290   1.1840   6.4070   1.5950   5.2520   1.7500 1.155000 2.368000 
1 1 1   32   12   17 o   5.5880   1.1960   6.2970   1.6230   4.8800   1.7570 1.416000 2.392000 
1 1 1   32   12   18 o   11.550   0.8214   12.620   0.9541   10.490   1.3370 2.134000 1.643000 
1 1 1   32   12   19 o   4.6420   1.2100   4.1980   1.6430   5.0850   1.7780 -0.8874000 2.421000 
1 1 1   32   12   20 o   5.2050   1.1540   3.5910   1.5660   6.8190   1.6940 -3.228000 2.307000 
1 1 1   32   12   21 o   3.0850   1.0170   2.4290   1.2040   3.7410   1.6410 -1.312000 2.035000 
1 1 1   32   12   22 o   4.1290   1.1930   4.7760   1.7780   3.4820   1.5910 1.294000 2.386000 
1 1 1   32   12   23 o   5.0360   1.3180   3.6690   1.6730   6.4030   2.0380 -2.734000 2.637000 
1 1 1   32   12   24 o   5.1410   1.3460   5.7410   1.9300   4.5420   1.8750 1.199000 2.691000 
1 1 1   32   12   25 o   4.0190   1.2440   3.5590   1.6360   4.4790   1.8750 -0.9198000 2.489000 
1 1 1   32   12   26 o   4.4210   1.3220   5.2770   2.0310   3.5650   1.6920 1.712000 2.644000 
1 1 1   32   12   27 o   3.9420   1.2650   4.5970   1.9570   3.2870   1.6030 1.310000 2.530000 
1 1 1   32   12   28 o   3.5050   1.1660   2.7730   1.3910   4.2370   1.8730 -1.464000 2.333000 
1 1 1   32   12   29 o   3.1400   1.0610   3.2100   1.5270   3.0710   1.4740 0.1392000 2.122000 
1 1 1   32   14    0 o   43.530   0.4340   42.890   0.6575   44.170   0.5666 -1.275000 0.8680000 
1 1 1   32   14    1 o   19.150   0.4377   18.950   0.5970   19.340   0.6403 -0.3931000 0.8754000 
1 1 1   32   14    2 o   6.7850   1.1370   6.1150   1.6280   7.4560   1.5890 -1.341000 2.275000 
1 1 1   32   14    3 f   12.780   0.6180   12.200   0.8540   13.360   0.8936 -1.158000 1.236000 
1 1 1   32   14    4 o   27.640   0.3561   28.110   0.4722   27.180   0.5332 0.9326000 0.7122000 
1 1 1   32   14    5 o   6.5420   1.1390   7.7510   1.3790   5.3330   1.8140 2.418000 2.278000 
1 1 1   32   14    6 o   11.200   0.7020   10.510   0.9897   11.900   0.9960 -1.394000 1.404000 
1 1 1   32   14    7 o   4.3360   1.1640   5.1990   1.7270   3.4730   1.5620 1.726000 2.328000 
1 1 1   32   14    8 o   4.8740   1.2210   4.4560   1.6850   5.2920   1.7670 -0.8365000 2.442000 
1 1 1   32   14    9 o   6.2730   1.1950   6.1910   1.6420   6.3540   1.7380 -0.1631000 2.391000 
1 1 1   32   14   10 o   5.6370   1.1690   7.2940   1.5960   3.9800   1.7100 3.314000 2.339000 
1 1 1   32   14   11 o   14.800   0.8138   14.820   1.2500   14.790   1.0420 0.3044000E-01 1.628000 
1 1 1   32   14   12 o   8.5560   1.1980   7.5340   1.8950   9.5780   1.4660 -2.044000 2.396000 
1 1 1   32   14   13 o   24.320   0.3773   23.740   0.5299   24.910   0.5373 -1.167000 0.7546000 
1 1 1   32   14   14 o   12.450   0.6372   13.160   0.8075   11.750   0.9860 1.411000 1.274000 
1 1 1   32   14   15 o   9.7900   0.8293   11.050   0.9682   8.5320   1.3470 2.515000 1.659000 
1 1 1   32   14   16 o   10.880   0.7398   11.280   0.9551   10.490   1.1300 0.7935000 1.480000 
1 1 1   32   14   17 o   4.4580   1.2350   2.9520   1.4140   5.9640   2.0260 -3.012000 2.470000 
1 1 1   32   14   18 o   6.4980   1.2160   6.6140   1.6180   6.3820   1.8150 0.2315000 2.431000 
1 1 1   32   14   19 o   14.420   0.5956   14.720   0.7819   14.110   0.8988 0.6090000 1.191000 
1 1 1   32   14   20 o   10.630   0.8284   10.030   1.2070   11.230   1.1350 -1.206000 1.657000 
1 1 1   32   14   21 o   2.9280   1.0070   2.4300   1.2180   3.4260   1.6030 -0.9953000 2.013000 
1 1 1   32   14   22 o   10.870   0.9697   10.740   1.2890   10.990   1.4490 -0.2534000 1.939000 
1 1 1   32   14   23 o   2.6540   0.9248   2.9320   1.4080   2.3760   1.2000 0.5561000 1.850000 
1 1 1   32   14   24 f   3.6680   1.1790   3.5310   1.6260   3.8050   1.7090 -0.2740000 2.359000 
1 1 1   32   14   25 o   4.3570   1.3530   4.1530   1.8760   4.5600   1.9510 -0.4061000 2.707000 
1 1 1   32   14   26 o   3.1010   1.0760   3.2220   1.5650   2.9810   1.4780 0.2401000 2.152000 
1 1 1   32   14   27 o   2.9290   1.0260   3.0580   1.5020   2.8010   1.3980 0.2568000 2.052000 
1 1 1   32   14   28 o   3.3730   1.0960   4.2850   1.8120   2.4610   1.2340 1.824000 2.192000 
1 1 1   32   16    0 f   37.210   0.4480   36.330   0.4635   38.080   0.7669 -1.755000 0.8961000 
1 1 1   32   16    1 o   10.150   1.1100   8.9930   1.1860   11.300   1.8760 -2.310000 2.219000 
1 1 1   32   16    2 o   8.7820   1.3140   9.5430   1.0930   8.0200   2.3890 1.522000 2.627000 
1 1 1   32   16    3 o   33.460   0.4569   33.010   0.4598   33.910   0.7897 -0.9025000 0.9138000 
1 1 1   32   16    4 o   6.9730   1.3730   7.6800   1.3790   6.2660   2.3730 1.414000 2.745000 
1 1 1   32   16    5 o   26.810   0.4077   26.920   0.4810   26.690   0.6585 0.2350000 0.8154000 
1 1 1   32   16    6 o   17.170   0.5217   17.010   0.7064   17.340   0.7680 -0.3333000 1.043000 
1 1 1   32   16    7 o   14.430   0.6129   14.590   0.8135   14.270   0.9168 0.3120000 1.226000 
1 1 1   32   16    8 o   33.400   0.4152   33.570   0.6201   33.230   0.5523 0.3407000 0.8304000 
1 1 1   32   16    9 o   9.1870   0.9717   8.6890   1.2650   9.6860   1.4760 -0.9972000 1.943000 
1 1 1   32   16   10 o   12.300   0.8263   12.590   1.1430   12.010   1.1940 0.5779000 1.653000 
1 1 1   32   16   11 o   13.650   0.5797   13.690   0.7863   13.600   0.8520 0.8984000E-01 1.159000 
1 1 1   32   16   12 o   13.500   0.5866   13.530   0.7932   13.470   0.8644 0.6088000E-01 1.173000 
1 1 1   32   16   13 f   5.3050   1.1490   3.6950   1.5750   6.9150   1.6730 -3.220000 2.297000 
1 1 1   32   16   14 o   18.730   0.4519   18.500   0.6060   18.950   0.6707 -0.4475000 0.9039000 
1 1 1   32   16   15 o   5.8730   1.1720   7.9000   1.5660   3.8470   1.7450 4.054000 2.344000 
1 1 1   32   16   16 o   3.7460   1.6470   3.7460   1.6470  ?   ?       ?      ? 
1 1 1   32   16   17 o   12.220   0.6809   11.580   0.9690   12.850   0.9569 -1.277000 1.362000 
1 1 1   32   16   18 o   7.8270   1.1140   8.2880   1.4330   7.3670   1.7070 0.9216000 2.228000 
1 1 1   32   16   19 o   3.7700   1.1670   3.4670   1.5650   4.0730   1.7320 -0.6061000 2.335000 
1 1 1   32   16   20 o   3.2780   1.0950   2.8090   1.3680   3.7470   1.7100 -0.9383000 2.190000 
1 1 1   32   16   21 o   7.5630   1.2320   7.3410   1.6950   7.7850   1.7890 -0.4444000 2.464000 
1 1 1   32   16   22 o   7.9090   1.2540   8.7500   1.5390   7.0670   1.9790 1.683000 2.507000 
1 1 1   32   16   23 o   3.6580   1.1620   2.8130   1.3760   4.5020   1.8730 -1.689000 2.325000 
1 1 1   32   16   24 o   3.6450   1.2080   3.5120   1.6720   3.7780   1.7430 -0.2657000 2.415000 
1 1 1   32   16   25 o   3.2390   1.1120   2.7110   1.3580   3.7670   1.7620 -1.056000 2.225000 
1 1 1   32   16   26 o   3.0270   1.0340   3.2650   1.5430   2.7890   1.3770 0.4754000 2.068000 
1 1 1   32   16   27 o   2.9070   0.9978   2.4720   1.2370   3.3430   1.5660 -0.8713000 1.996000 
1 1 1   32   18    0 o   26.230   0.3985   25.860   0.5456   26.610   0.5810 -0.7450000 0.7970000 
1 1 1   32   18    1 o   10.220   0.8509   9.6950   1.2110   10.750   1.1960 -1.051000 1.702000 
1 1 1   32   18    2 o   26.080   0.3968   25.450   0.5566   26.700   0.5656 -1.256000 0.7935000 
1 1 1   32   18    3 f   23.500   0.4171   22.590   0.5876   24.420   0.5921 -1.830000 0.8342000 
1 1 1   32   18    4 o   9.0480   0.9667   8.1970   1.4310   9.8990   1.3000 -1.702000 1.933000 
1 1 1   32   18    5 o   4.8240   1.2240   4.3090   1.6490   5.3390   1.8100 -1.030000 2.448000 
1 1 1   32   18    6 o   18.910   0.4518   18.640   0.5984   19.190   0.6772 -0.5438000 0.9037000 
1 1 1   32   18    7 o   8.6230   1.1740   7.6890   1.7580   9.5560   1.5570 -1.867000 2.349000 
1 1 1   32   18    8 o   6.8110   1.5080   6.4080   1.9050   7.2150   2.3370 -0.8070000 3.016000 
1 1 1   32   18    9 o   13.880   0.8610   14.840   0.7152   12.920   1.5660 1.919000 1.722000 
1 1 1   32   18   10 o   14.010   0.8002   13.120   0.8448   14.890   1.3590 -1.772000 1.600000 
1 1 1   32   18   11 o   11.660   1.1010   12.990   0.8507   10.330   2.0310 2.655000 2.202000 
1 1 1   32   18   12 o   3.7550   1.2350   3.2050   1.4660   4.3060   1.9890 -1.101000 2.471000 
1 1 1   32   18   13 o   7.6230   1.4240   6.9060   1.5870   8.3400   2.3640 -1.434000 2.847000 
1 1 1   32   18   14 o   4.3220   1.3690   3.3430   1.5550   5.3010   2.2540 -1.958000 2.738000 
1 1 1   32   18   15 o   6.6450   1.4530   4.1150   1.7560   9.1750   2.3160 -5.060000 2.906000 
1 1 1   32   18   16 o   6.9530   1.4550   7.3790   1.5970   6.5280   2.4340 0.8509000 2.911000 
1 1 1   32   18   17 o   6.9380   1.4970   6.8540   1.6880   7.0220   2.4730 -0.1672000 2.994000 
1 1 1   32   18   18 o   8.2480   1.6970   9.4280   1.9530   7.0680   2.7770 2.360000 3.395000 
1 1 1   32   18   19 o   4.9370   1.4220   5.0920   1.8760   4.7820   2.1380 0.3097000 2.845000 
1 1 1   32   18   20 o   4.8620   1.3480   5.7550   1.9130   3.9690   1.8990 1.786000 2.696000 
1 1 1   32   18   21 o   4.6180   1.4410   4.0080   1.7460   5.2290   2.2920 -1.222000 2.881000 
1 1 1   32   18   22 o   3.8030   1.2780   3.2570   1.5470   4.3480   2.0350 -1.091000 2.556000 
1 1 1   32   18   23 o   3.0840   1.1060   3.0370   1.5270   3.1320   1.6010 -0.9471000E-01 2.213000 
1 1 1   32   18   24 f   3.3290   1.1740   3.1010   1.5160   3.5570   1.7920 -0.4561000 2.347000 
1 1 1   32   18   25 o   3.2750   1.1130   3.2140   1.5190   3.3360   1.6280 -0.1218000 2.226000 
1 1 1   32   18   26 o   2.3820   0.8592   2.5310   1.2780   2.2330   1.1480 0.2988000 1.718000 
1 1 1   32   20    0 o   18.600   0.4633   18.330   0.6064   18.860   0.7005 -0.5336000 0.9265000 
1 1 1   32   20    1 o   10.730   0.7244   11.190   0.9378   10.280   1.1040 0.9102000 1.449000 
1 1 1   32   20    2 f   28.410   0.3491   28.860   0.4772   27.950   0.5096 0.9099000 0.6982000 
1 1 1   32   20    3 o   5.7600   1.1410   4.2780   1.6600   7.2420   1.5660 -2.964000 2.282000 
1 1 1   32   20    4 o   8.0220   1.2010   6.6390   1.8460   9.4060   1.5370 -2.767000 2.402000 
1 1 1   32   20    5 o   9.7090   1.0500   10.490   1.2590   8.9230   1.6810 1.572000 2.100000 
1 1 1   32   20    6 o   6.7150   1.3820   6.7840   1.8990   6.6460   2.0070 0.1381000 2.763000 
1 1 1   32   20    7 o   16.500   0.5032   16.250   0.6789   16.750   0.7428 -0.4987000 1.006000 
1 1 1   32   20    8 o   14.890   0.5537   14.640   0.7439   15.130   0.8204 -0.4921000 1.107000 
1 1 1   32   20    9 o   3.2710   1.0620   2.9720   1.3910   3.5700   1.6040 -0.5978000 2.123000 
1 1 1   32   20   10 o   4.7540   1.1510   5.9780   1.6590   3.5300   1.5970 2.447000 2.303000 
1 1 1   32   20   11 o   4.6010   1.1450   2.9500   1.3840   6.2510   1.8260 -3.302000 2.291000 
1 1 1   32   20   12 o   3.1740   1.0770   3.0480   1.4580   3.3000   1.5840 -0.2519000 2.153000 
1 1 1   32   20   13 o   7.4550   1.3230   6.8250   1.8400   8.0840   1.9020 -1.259000 2.646000 
1 1 1   32   20   14 o   7.0490   1.2010   8.0540   1.5070   6.0440   1.8720 2.009000 2.403000 
1 1 1   32   20   15 o   10.700   0.9400   10.390   1.3310   11.000   1.3280 -0.6159000 1.880000 
1 1 1   32   20   16 o   6.6490   1.4030   6.5160   1.9420   6.7810   2.0240 -0.2645000 2.805000 
1 1 1   32   20   17 o   5.4770   1.2530   6.9590   1.7830   3.9960   1.7590 2.963000 2.505000 
1 1 1   32   20   18 o   4.5270   1.3040   4.4040   1.7860   4.6500   1.9010 -0.2464000 2.608000 
1 1 1   32   20   19 o   3.2050   1.0790   3.4030   1.5860   3.0080   1.4640 0.3949000 2.158000 
1 1 1   32   20   20 o   3.3580   1.1140   3.5660   1.6340   3.1500   1.5140 0.4157000 2.228000 
1 1 1   32   20   21 o   3.3450   1.1390   3.3010   1.5900   3.3900   1.6320 -0.8886000E-01 2.278000 
1 1 1   32   20   22 o   4.0800   1.3580   4.4460   2.0410   3.7130   1.7930 0.7332000 2.716000 
1 1 1   32   20   23 o   2.8130   0.9726   3.1880   1.5090   2.4390   1.2280 0.7489000 1.945000 
1 1 1   32   20   24 o   2.6010   0.9121   2.5230   1.2560   2.6790   1.3230 -0.1564000 1.824000 
1 1 1   32   22    0 o   20.310   0.5455   19.890   0.6981   20.730   0.8384 -0.8354000 1.091000 
1 1 1   32   22    1 o   22.190   0.4868   21.640   0.6768   22.740   0.7000 -1.099000 0.9737000 
1 1 1   32   22    2 o   12.540   0.7241   12.260   1.0830   12.810   0.9619 -0.5480000 1.448000 
1 1 1   32   22    3 o   14.340   0.5786   14.050   0.7855   14.630   0.8499 -0.5849000 1.157000 
1 1 1   32   22    4 o   8.6320   0.9429   7.9840   1.3560   9.2800   1.3110 -1.296000 1.886000 
1 1 1   32   22    5 o   3.6910   1.1330   3.2170   1.4640   4.1640   1.7290 -0.9467000 2.265000 
1 1 1   32   22    6 o   13.440   0.6233   12.970   0.8392   13.910   0.9219 -0.9312000 1.247000 
1 1 1   32   22    7 o   14.280   0.5989   14.770   0.7616   13.790   0.9245 0.9717000 1.198000 
1 1 1   32   22    8 o   18.040   0.5010   18.230   0.6616   17.850   0.7524 0.3810000 1.002000 
1 1 1   32   22    9 f   14.580   0.6031   15.060   0.7624   14.090   0.9346 0.9638000 1.206000 
1 1 1   32   22   10 f   4.1900   1.2580   4.4760   1.7860   3.9040   1.7730 0.5728000 2.517000 
1 1 1   32   22   11 o   4.3600   1.2840   4.6210   1.8140   4.1000   1.8170 0.5207000 2.567000 
1 1 1   32   22   12 o   7.1790   1.3150   5.9240   1.9510   8.4340   1.7640 -2.509000 2.630000 
1 1 1   32   22   13 o   9.2640   1.2630   9.6830   1.4540   8.8450   2.0660 0.8384000 2.526000 
1 1 1   32   22   14 o   3.0340   1.0330   2.8750   1.3980   3.1940   1.5230 -0.3189000 2.067000 
1 1 1   32   22   15 o   7.8630   1.2040   9.6040   1.3740   6.1220   1.9770 3.482000 2.408000 
1 1 1   32   22   16 o   4.5100   1.2970   3.6800   1.6630   5.3400   1.9900 -1.660000 2.594000 
1 1 1   32   22   17 o   4.4340   1.3060   4.6380   1.8750   4.2300   1.8200 0.4077000 2.613000 
1 1 1   32   22   18 f   3.4940   1.1350   3.9810   1.7380   3.0070   1.4590 0.9741000 2.269000 
1 1 1   32   22   19 o   3.8820   1.2300   4.8640   1.9930   2.9000   1.4420 1.964000 2.460000 
1 1 1   32   22   20 o   2.8950   1.0340   2.9990   1.5080   2.7910   1.4150 0.2076000 2.068000 
1 1 1   32   22   21 o   2.8490   1.0010   3.0310   1.4850   2.6670   1.3420 0.3644000 2.001000 
1 1 1   32   22   22 o   2.0390   0.7372   2.0320   1.0390   2.0460   1.0460 -0.1315000E-01 1.474000 
1 1 1   32   24    0 o   12.930   0.7168   13.370   0.8473   12.490   1.1560 0.8754000 1.434000 
1 1 1   32   24    1 o   21.230   0.4455   21.310   0.5839   21.160   0.6730 0.1459000 0.8910000 
1 1 1   32   24    2 o   6.3730   1.2660   6.3530   1.7150   6.3930   1.8630 -0.3973000E-01 2.532000 
1 1 1   32   24    3 o   6.4580   1.2320   7.0140   1.6080   5.9020   1.8680 1.111000 2.464000 
1 1 1   32   24    4 o   12.770   0.6777   12.620   0.9256   12.920   0.9900 -0.3020000 1.355000 
1 1 1   32   24    5 o   9.1640   0.9558   9.0700   1.3060   9.2570   1.3960 -0.1876000 1.912000 
1 1 1   32   24    6 o   4.7670   1.3410   4.6610   1.8430   4.8720   1.9500 -0.2112000 2.683000 
1 1 1   32   24    7 o   10.090   1.1620   10.350   1.4940   9.8400   1.7800 0.5098000 2.324000 
1 1 1   32   24    8 o   5.7130   1.4920   5.4260   2.0160   6.0010   2.2010 -0.5743000 2.984000 
1 1 1   32   24    9 o   5.6440   1.4020   5.6020   1.9780   5.6850   1.9870 -0.8299000E-01 2.804000 
1 1 1   32   24   10 f   6.3010   1.3130   6.3920   1.8020   6.2090   1.9090 0.1828000 2.625000 
1 1 1   32   24   11 o   5.5350   1.3280   4.7260   1.8430   6.3440   1.9130 -1.619000 2.656000 
1 1 1   32   24   12 f   11.520   0.8419   12.560   1.0490   10.480   1.3170 2.073000 1.684000 
1 1 1   32   24   13 o   10.640   0.9351   10.330   1.3110   10.940   1.3330 -0.6139000 1.870000 
1 1 1   32   24   14 o   9.3720   1.0900   10.520   1.3010   8.2240   1.7490 2.296000 2.179000 
1 1 1   32   24   15 o   4.5750   1.3250   4.4630   1.8480   4.6880   1.8990 -0.2255000 2.650000 
1 1 1   32   24   16 o   5.2020   1.3630   5.7960   1.9610   4.6070   1.8920 1.189000 2.725000 
1 1 1   32   24   17 o   5.7230   1.4260   6.9440   2.0770   4.5020   1.9540 2.443000 2.852000 
1 1 1   32   24   18 o   2.8420   0.9948   2.6140   1.2980   3.0690   1.5080 -0.4554000 1.990000 
1 1 1   32   24   19 o   2.4750   0.8856   2.4550   1.2440   2.4950   1.2610 -0.3978000E-01 1.771000 
1 1 1   32   24   20 o   2.2370   0.8020   2.2200   1.1260   2.2550   1.1420 -0.3502000E-01 1.604000 
1 1 1   32   26    0 o   12.420   0.9741   13.020   1.0910   11.820   1.6140 1.205000 1.948000 
1 1 1   32   26    1 o   6.3330   1.5600   6.7660   2.1570   5.9010   2.2540 0.8658000 3.120000 
1 1 1   32   26    2 o   4.2250   1.3560   4.0840   1.8570   4.3660   1.9780 -0.2819000 2.713000 
1 1 1   32   26    3 o   6.1140   1.5470   5.1560   2.0850   7.0730   2.2860 -1.918000 3.094000 
1 1 1   32   26    4 o   3.3910   1.1370   3.2190   1.5360   3.5630   1.6770 -0.3438000 2.274000 
1 1 1   32   26    5 o   4.8070   1.3120   4.9480   1.8530   4.6660   1.8580 0.2813000 2.624000 
1 1 1   32   26    6 o   9.8880   0.9392   9.5580   1.3570   10.220   1.2990 -0.6584000 1.878000 
1 1 1   32   26    7 o   9.3490   1.0610   11.740   1.0680   6.9550   1.8350 4.788000 2.123000 
1 1 1   32   26    8 o   4.0040   1.2040   4.5910   1.8120   3.4170   1.5850 1.174000 2.408000 
1 1 1   32   26    9 o   3.3890   1.1110   3.6030   1.6330   3.1750   1.5070 0.4281000 2.223000 
1 1 1   32   26   10 o   4.3780   1.2870   4.5070   1.8360   4.2500   1.8040 0.2568000 2.574000 
1 1 1   32   26   11 o   4.3410   1.2730   4.8530   1.8730   3.8290   1.7240 1.025000 2.546000 
1 1 1   32   26   12 o   5.7420   1.3970   5.6070   1.9430   5.8770   2.0080 -0.2703000 2.794000 
1 1 1   32   26   13 o   2.8060   0.9887   2.8160   1.4020   2.7960   1.3940 0.1922000E-01 1.977000 
1 1 1   32   26   14 o   4.0030   1.2620   3.1360   1.5350   4.8710   2.0030 -1.735000 2.523000 
1 1 1   32   26   15 o   2.2900   0.8213   2.1470   1.0940   2.4330   1.2250 -0.2858000 1.643000 
1 1 1   32   26   16 o   3.7730   1.1910   4.4000   1.8210   3.1470   1.5360 1.253000 2.382000 
1 1 1   32   26   17 f   2.4890   0.8926   2.8240   1.4020   2.1540   1.1050 0.6706000 1.785000 
1 1 1   32   26   18 o   1.7880   0.6587   1.8140   0.9449   1.7610   0.9181 0.5253000E-01 1.317000 
1 1 1   32   28    0 o   6.5930   1.3150   6.6260   1.8220   6.5600   1.8960 0.6589000E-01 2.630000 
1 1 1   32   28    1 o   9.3540   1.0480   10.400   1.2640   8.3050   1.6730 2.096000 2.097000 
1 1 1   32   28    2 o   6.4540   1.1930   8.4980   1.5500   4.4110   1.8140 4.087000 2.386000 
1 1 1   32   28    3 o   5.1520   1.3500   5.0850   1.8830   5.2200   1.9350 -0.1358000 2.700000 
1 1 1   32   28    4 o   9.6480   1.0210   9.3920   1.4350   9.9030   1.4530 -0.5105000 2.043000 
1 1 1   32   28    5 o   10.310   0.9662   10.800   1.2480   9.8250   1.4750 0.9700000 1.932000 
1 1 1   32   28    6 o   6.9320   1.3340   6.5820   1.8980   7.2820   1.8750 -0.7004000 2.668000 
1 1 1   32   28    7 o   6.3080   1.3460   6.6030   1.8760   6.0130   1.9300 0.5900000 2.692000 
1 1 1   32   28    8 o   3.8670   1.2450   4.1090   1.8300   3.6260   1.6880 0.4828000 2.490000 
1 1 1   32   28    9 o   4.3130   1.2990   5.1990   2.0250   3.4260   1.6290 1.773000 2.599000 
1 1 1   32   28   10 o   2.9710   1.0310   2.8320   1.4020   3.1090   1.5110 -0.2776000 2.061000 
1 1 1   32   28   11 o   2.7850   0.9647   2.9990   1.4450   2.5720   1.2790 0.4276000 1.929000 
1 1 1   32   28   12 o   2.7230   0.9480   2.5360   1.2640   2.9100   1.4130 -0.3739000 1.896000 
1 1 1   32   28   13 f   3.2820   1.0880   3.2490   1.5210   3.3150   1.5560 -0.6640000E-01 2.176000 
1 1 1   32   28   14 o   2.9010   1.0130   2.7960   1.3870   3.0060   1.4770 -0.2101000 2.027000 
1 1 1   32   30    0 o   3.8640   1.2330   3.9710   1.7560   3.7570   1.7320 0.2136000 2.467000 
1 1 1   32   30    1 o   5.1510   1.3470   3.7270   1.6990   6.5750   2.0920 -2.848000 2.695000 
1 1 1   32   30    2 o   3.5270   1.1730   3.5600   1.6640   3.4940   1.6530 0.6611000E-01 2.345000 
1 1 1   32   30    3 o   8.8010   1.2460   11.000   1.3820   6.5990   2.0740 4.404000 2.492000 
1 1 1   32   30    4 o   5.6380   1.4190   4.6210   1.9350   6.6540   2.0760 -2.033000 2.838000 
1 1 1   32   30    5 o   3.1340   1.0520   3.6290   1.6460   2.6380   1.3090 0.9909000 2.103000 
1 1 1   32   30    6 o   3.0460   1.0330   3.0900   1.4740   3.0020   1.4470 0.8803000E-01 2.065000 
1 1 1   32   30    7 o   2.8460   0.9777   2.8580   1.3870   2.8330   1.3780 0.2474000E-01 1.955000 
1 1 1   32   30    8 o   4.2120   1.2470   4.4470   1.8080   3.9780   1.7170 0.4693000 2.494000 
1 1 1   32   30    9 o   2.8730   0.9825   2.8130   1.3660   2.9340   1.4130 -0.1215000 1.965000 
1 1 1   32   30   10 o   2.2760   0.8194   2.2390   1.1410   2.3120   1.1760 -0.7286000E-01 1.639000 
1 1 1   32   32    0 o   2.0940   0.7530   2.2620   1.1380   1.9260   0.9864 0.3359000 1.506000 
1 1 1   32   32    1 o   2.8210   0.9672   2.7100   1.3230   2.9310   1.4110 -0.2213000 1.934000 
1 1 1   32   32    2 o   2.4550   0.8836   2.5310   1.2840   2.3790   1.2140 0.1518000 1.767000 
1 1 1   33    1    0 o   73.200   0.5408   73.750   0.7700   72.640   0.7595 1.106000 1.082000 
1 1 1   33    1    1 o   80.540   0.5132   81.050   0.7300   80.040   0.7216 1.014000 1.026000 
1 1 1   33    1    2 o   50.190   0.3390   50.790   0.4818   49.600   0.4771 1.194000 0.6780000 
1 1 1   33    1    3 o   44.030   0.3739   44.050   0.4369   44.010   0.6069 0.4122000E-01 0.7478000 
1 1 1   33    1    4 o   39.740   0.3771   40.290   0.4886   39.200   0.5746 1.094000 0.7542000 
1 1 1   33    1    5 o   37.030   0.5213   37.580   0.6061   36.490   0.8484 1.093000 1.043000 
1 1 1   33    1    6 o   49.800   0.5731   50.010   0.5698   49.590   0.9945 0.4166000 1.146000 
1 1 1   33    1    7 o   48.130   0.4150   48.330   0.4854   47.920   0.6732 0.4055000 0.8299000 
1 1 1   33    1    8 o   8.3080   0.9353   7.7270   1.2320   8.8900   1.4080 -1.163000 1.871000 
1 1 1   33    1    9 o   31.470   0.3803   30.970   0.4479   31.980   0.6147 -1.007000 0.7606000 
1 1 1   33    1   10 f   19.860   0.4840   18.980   0.6594   20.730   0.7086 -1.747000 0.9680000 
1 1 1   33    1   11 f   12.220   0.7313   13.140   0.8228   11.300   1.2090 1.839000 1.463000 
1 1 1   33    1   12 o   25.280   0.4260   25.050   0.5173   25.500   0.6771 -0.4539000 0.8521000 
1 1 1   33    1   13 o   9.1490   1.0360   7.4950   1.5470   10.800   1.3780 -3.308000 2.072000 
1 1 1   33    1   14 o   24.340   0.6127   24.700   0.8506   23.970   0.8822 0.7298000 1.225000 
1 1 1   33    1   15 o   4.5560   1.3110   5.1640   1.9770   3.9480   1.7220 1.216000 2.622000 
1 1 1   33    1   16 o   16.610   0.5763   16.920   0.9056   16.300   0.7130 0.6189000 1.153000 
1 1 1   33    1   17 o   14.300   0.6491   15.030   1.0080   13.570   0.8180 1.462000 1.298000 
1 1 1   33    1   18 o   10.240   0.9354   9.4800   1.5920   11.000   0.9822 -1.517000 1.871000 
1 1 1   33    1   19 o   11.410   1.3650   12.130   2.2330   10.700   1.5700 1.427000 2.730000 
1 1 1   33    1   20 o   4.2600   1.2370   4.3850   1.8580   4.1360   1.6340 0.2495000 2.474000 
1 1 1   33    1   21 o   3.9770   1.1970   4.8120   1.9110   3.1430   1.4430 1.670000 2.394000 
1 1 1   33    1   22 o   5.7450   1.3220   6.6440   2.0080   4.8460   1.7200 1.799000 2.644000 
1 1 1   33    1   23 o   4.8130   1.3080   5.5350   2.0180   4.0920   1.6650 1.442000 2.616000 
1 1 1   33    1   24 o   3.9970   1.2290   3.7890   1.7540   4.2050   1.7220 -0.4164000 2.458000 
1 1 1   33    1   25 o   5.0340   1.3690   4.8010   2.0230   5.2670   1.8460 -0.4663000 2.738000 
1 1 1   33    1   26 o   4.7910   1.3810   5.9440   2.2200   3.6380   1.6420 2.307000 2.762000 
1 1 1   33    1   27 o   3.5380   1.2190   3.2950   1.6500   3.7800   1.7950 -0.4855000 2.438000 
1 1 1   33    1   28 o   4.2250   1.3130   3.9610   1.8490   4.4900   1.8640 -0.5296000 2.625000 
1 1 1   33    1   29 o   4.6070   1.3910   4.7100   2.0570   4.5030   1.8720 0.2065000 2.782000 
1 1 1   33    1   30 o   2.5630   0.9175   2.7810   1.4020   2.3450   1.1830 0.4369000 1.835000 
1 1 1   33    1   31 o   3.0120   1.0740   2.9340   1.4990   3.0890   1.5390 -0.1553000 2.148000 
1 1 1   33    3    0 o   43.420   0.4647   43.800   0.4899   43.040   0.7899 0.7587000 0.9295000 
1 1 1   33    3    1 o   30.820   0.3749   30.330   0.4208   31.310   0.6207 -0.9843000 0.7499000 
1 1 1   33    3    2 o   6.6410   0.8089   5.4050   1.3450   7.8760   0.8985 -2.471000 1.618000 
1 1 1   33    3    3 o   4.4520   1.0310   4.0520   1.4710   4.8520   1.4440 -0.7999000 2.061000 
1 1 1   33    3    4 o   38.470   0.3124   38.050   0.4092   38.900   0.4723 -0.8558000 0.6249000 
1 1 1   33    3    5 o   57.040   0.4427   57.660   0.6242   56.420   0.6280 1.234000 0.8855000 
1 1 1   33    3    6 o   59.480   0.4635   59.040   0.6483   59.910   0.6627 -0.8642000 0.9271000 
1 1 1   33    3    7 o   36.970   0.3397   36.180   0.4267   37.750   0.5288 -1.571000 0.6795000 
1 1 1   33    3    8 o   12.230   0.5594   12.340   0.7639   12.120   0.8174 0.2125000 1.119000 
1 1 1   33    3    9 o   37.980   0.3213   38.220   0.4506   37.740   0.4582 0.4818000 0.6427000 
1 1 1   33    3   10 o   18.020   0.4274   17.860   0.6053   18.180   0.6034 -0.3177000 0.8547000 
1 1 1   33    3   11 o   42.400   0.3416   42.520   0.4824   42.280   0.4838 0.2339000 0.6832000 
1 1 1   33    3   12 o   29.590   0.3362   29.670   0.4741   29.510   0.4767 0.1641000 0.6723000 
1 1 1   33    3   13 o   6.9950   1.1880   6.4480   1.7310   7.5420   1.6290 -1.094000 2.377000 
1 1 1   33    3   14 o   16.570   0.5560   16.490   0.8167   16.650   0.7548 -0.1603000 1.112000 
1 1 1   33    3   15 o   4.9110   1.3010   5.0590   1.8870   4.7630   1.7930 0.2966000 2.603000 
1 1 1   33    3   16 o   14.180   0.5420   15.540   0.6804   12.820   0.8438 2.720000 1.084000 
1 1 1   33    3   17 o   17.640   0.4462   17.730   0.6133   17.550   0.6482 0.1731000 0.8923000 
1 1 1   33    3   18 o   14.460   0.6222   14.040   0.9388   14.880   0.8168 -0.8387000 1.244000 
1 1 1   33    3   19 o   7.0010   1.1060   9.5530   1.2190   4.4490   1.8460 5.104000 2.212000 
1 1 1   33    3   20 o   11.610   0.6512   11.800   0.8746   11.420   0.9650 0.3827000 1.302000 
1 1 1   33    3   21 o   3.5770   1.0820   4.1300   1.6450   3.0230   1.4070 1.108000 2.165000 
1 1 1   33    3   22 o   3.8030   1.1290   3.9300   1.6110   3.6760   1.5830 0.2532000 2.259000 
1 1 1   33    3   23 o   2.8140   0.9516   2.5680   1.2550   3.0590   1.4310 -0.4905000 1.903000 
1 1 1   33    3   24 o   3.5210   1.0970   4.1410   1.7000   2.9020   1.3860 1.239000 2.193000 
1 1 1   33    3   25 o   3.3720   1.0980   3.3380   1.5370   3.4070   1.5690 -0.6980000E-01 2.196000 
1 1 1   33    3   26 o   6.8390   1.4060   6.9700   1.9400   6.7080   2.0350 0.2618000 2.812000 
1 1 1   33    3   27 o   3.4370   1.1580   3.5230   1.6700   3.3520   1.6040 0.1709000 2.316000 
1 1 1   33    3   28 o   4.5220   1.2630   3.2490   1.5450   5.7960   1.9990 -2.547000 2.527000 
1 1 1   33    3   29 o   4.1330   1.2590   4.6480   1.8820   3.6180   1.6720 1.030000 2.517000 
1 1 1   33    3   30 o   3.1890   1.0970   2.9950   1.4780   3.3820   1.6200 -0.3865000 2.193000 
1 1 1   33    3   31 f   2.4690   0.8867   2.1570   1.1070   2.7810   1.3860 -0.6242000 1.773000 
1 1 1   33    5    0 o   66.060   0.4894   66.350   0.6942   65.760   0.6901 0.5949000 0.9788000 
1 1 1   33    5    1 o   15.370   0.3571   15.790   0.5164   14.950   0.4935 0.8423000 0.7143000 
1 1 1   33    5    2 o   11.520   0.3931   11.260   0.5787   11.780   0.5321 -0.5218000 0.7861000 
1 1 1   33    5    3 o   31.790   0.2732   31.720   0.3870   31.860   0.3857 -0.1319000 0.5464000 
1 1 1   33    5    4 o   48.470   0.3389   48.440   0.4783   48.490   0.4803 -0.4253000E-01 0.6778000 
1 1 1   33    5    5 o   22.030   0.3113   22.340   0.4335   21.720   0.4470 0.6257000 0.6226000 
1 1 1   33    5    6 o   43.070   0.3832   43.470   0.5368   42.680   0.5471 0.7859000 0.7665000 
1 1 1   33    5    7 o   45.070   0.3378   45.190   0.4750   44.950   0.4804 0.2368000 0.6756000 
1 1 1   33    5    8 o   28.300   0.3198   28.070   0.4437   28.540   0.4606 -0.4722000 0.6396000 
1 1 1   33    5    9 o   8.2290   0.8953   8.1660   1.2400   8.2920   1.2910 -0.1263000 1.791000 
1 1 1   33    5   10 o   33.180   0.3303   33.740   0.4595   32.610   0.4747 1.133000 0.6606000 
1 1 1   33    5   11 o   26.980   0.3513   26.930   0.4899   27.030   0.5035 -0.9919000E-01 0.7025000 
1 1 1   33    5   12 f   4.8160   1.2710   4.4670   1.7310   5.1650   1.8620 -0.6978000 2.542000 
1 1 1   33    5   13 o   6.3210   1.1240   7.8780   1.4020   4.7640   1.7570 3.113000 2.248000 
1 1 1   33    5   14 o   5.1940   1.2880   4.4570   1.8120   5.9310   1.8310 -1.474000 2.576000 
1 1 1   33    5   15 o   15.030   0.5997   14.820   0.8659   15.240   0.8298 -0.4233000 1.199000 
1 1 1   33    5   16 f   14.360   0.5350   14.240   0.7424   14.470   0.7705 -0.2288000 1.070000 
1 1 1   33    5   17 o   7.2570   1.1840   6.0790   1.8760   8.4350   1.4460 -2.355000 2.368000 
1 1 1   33    5   18 o   9.6750   0.9367   9.3430   1.4190   10.010   1.2230 -0.6635000 1.873000 
1 1 1   33    5   19 o   5.1440   1.3180   4.5760   1.7460   5.7120   1.9740 -1.136000 2.636000 
1 1 1   33    5   20 o   14.850   0.5227   15.510   0.6931   14.200   0.7828 1.319000 1.045000 
1 1 1   33    5   21 o   3.6520   1.1120   3.5800   1.5530   3.7230   1.5920 -0.1433000 2.224000 
1 1 1   33    5   22 o   4.8210   1.2100   3.9610   1.6380   5.6810   1.7800 -1.720000 2.419000 
1 1 1   33    5   23 o   5.1600   1.2640   5.1470   1.7480   5.1740   1.8270 -0.2691000E-01 2.529000 
1 1 1   33    5   24 o   4.3940   1.2150   3.5150   1.5730   5.2740   1.8520 -1.759000 2.429000 
1 1 1   33    5   25 o   4.0730   1.2050   3.4170   1.5490   4.7280   1.8470 -1.311000 2.410000 
1 1 1   33    5   26 o   3.9010   1.2420   3.4490   1.6100   4.3520   1.8930 -0.9029000 2.485000 
1 1 1   33    5   27 o   3.3510   1.1350   3.0430   1.4940   3.6600   1.7080 -0.6161000 2.269000 
1 1 1   33    5   28 o   3.7370   1.1950   3.7410   1.6830   3.7330   1.6980 0.8518000E-02 2.391000 
1 1 1   33    5   29 f   3.0590   1.0440   2.9740   1.4430   3.1440   1.5100 -0.1706000 2.089000 
1 1 1   33    5   30 o   2.6060   0.9293   2.7650   1.3860   2.4470   1.2380 0.3179000 1.859000 
1 1 1   33    5   31 o   2.4100   0.8648   2.4970   1.2620   2.3230   1.1830 0.1742000 1.730000 
1 1 1   33    7    0 o   40.620   0.3486   40.520   0.4879   40.720   0.4981 -0.1960000 0.6972000 
1 1 1   33    7    1 o   28.470   0.2601   28.690   0.3623   28.250   0.3732 0.4328000 0.5202000 
1 1 1   33    7    2 o   38.030   0.2894   38.370   0.4048   37.690   0.4137 0.6891000 0.5788000 
1 1 1   33    7    3 o   6.2870   0.8710   6.4100   1.1650   6.1640   1.2950 0.2459000 1.742000 
1 1 1   33    7    4 o   37.830   0.3048   38.030   0.4296   37.630   0.4325 0.4003000 0.6096000 
1 1 1   33    7    5 o   29.110   0.3682   28.650   0.5005   29.570   0.5402 -0.9285000 0.7364000 
1 1 1   33    7    6 o   48.030   0.4145   47.800   0.5779   48.250   0.5943 -0.4540000 0.8290000 
1 1 1   33    7    7 o   64.970   0.4353   64.770   0.6128   65.180   0.6184 -0.4056000 0.8706000 
1 1 1   33    7    8 o   13.440   0.5474   12.390   0.8048   14.500   0.7422 -2.118000 1.095000 
1 1 1   33    7    9 o   44.270   0.3683   44.720   0.5429   43.830   0.4977 0.8850000 0.7365000 
1 1 1   33    7   10 o   29.870   0.3762   30.120   0.5068   29.630   0.5562 0.4939000 0.7525000 
1 1 1   33    7   11 o   33.040   0.3695   32.610   0.5080   33.480   0.5366 -0.8763000 0.7390000 
1 1 1   33    7   12 o   5.2690   1.2440   5.0760   1.7290   5.4620   1.7880 -0.3861000 2.488000 
1 1 1   33    7   13 o   7.9760   1.0000   7.3640   1.4800   8.5880   1.3450 -1.224000 2.000000 
1 1 1   33    7   14 o   10.200   0.9370   8.8760   1.5320   11.520   1.0790 -2.645000 1.874000 
1 1 1   33    7   15 o   7.6770   1.0140   8.8740   1.2010   6.4810   1.6350 2.393000 2.029000 
1 1 1   33    7   16 o   17.780   0.5151   17.350   0.7502   18.210   0.7062 -0.8664000 1.030000 
1 1 1   33    7   17 o   21.640   0.4504   21.560   0.6419   21.720   0.6320 -0.1582000 0.9008000 
1 1 1   33    7   18 f   10.200   0.7428   10.530   0.9789   9.8720   1.1170 0.6554000 1.486000 
1 1 1   33    7   19 o   12.060   0.8027   12.970   0.9292   11.150   1.3090 1.819000 1.605000 
1 1 1   33    7   20 o   6.3240   1.1680   5.8630   1.6650   6.7850   1.6380 -0.9225000 2.336000 
1 1 1   33    7   21 o   3.7810   1.1380   3.9660   1.6390   3.5950   1.5780 0.3716000 2.275000 
1 1 1   33    7   22 o   6.3990   1.1770   5.4300   1.7200   7.3680   1.6070 -1.939000 2.354000 
1 1 1   33    7   23 o   5.0090   1.1310   6.7340   1.6680   3.2840   1.5270 3.450000 2.262000 
1 1 1   33    7   24 o   5.4040   1.2970   4.6670   1.7810   6.1410   1.8850 -1.473000 2.593000 
1 1 1   33    7   25 o   4.5410   1.3260   4.3040   1.8030   4.7790   1.9460 -0.4741000 2.653000 
1 1 1   33    7   26 o   4.1760   1.2580   3.7080   1.6690   4.6430   1.8840 -0.9345000 2.517000 
1 1 1   33    7   27 o   4.5340   1.3280   5.5530   2.0700   3.5150   1.6640 2.038000 2.656000 
1 1 1   33    7   28 f   3.5590   1.1630   3.1520   1.5060   3.9670   1.7730 -0.8147000 2.326000 
1 1 1   33    7   29 o   3.3840   1.1520   3.5480   1.6920   3.2190   1.5630 0.3296000 2.303000 
1 1 1   33    7   30 o   3.8040   1.2170   3.1520   1.5140   4.4560   1.9060 -1.304000 2.434000 
1 1 1   33    9    0 o   15.100   0.3837   15.150   0.5291   15.060   0.5558 0.9497000E-01 0.7673000 
1 1 1   33    9    1 o   12.930   0.4436   12.480   0.6071   13.380   0.6470 -0.9028000 0.8872000 
1 1 1   33    9    2 o   19.520   0.3418   20.360   0.4419   18.680   0.5216 1.676000 0.6837000 
1 1 1   33    9    3 o   54.530   0.4117   53.380   0.5211   55.690   0.6377 -2.310000 0.8235000 
1 1 1   33    9    4 o   27.980   0.3756   26.810   0.5072   29.160   0.5540 -2.347000 0.7512000 
1 1 1   33    9    5 o   41.980   0.3949   41.400   0.5464   42.550   0.5703 -1.160000 0.7898000 
1 1 1   33    9    6 o   13.350   0.5539   13.600   0.7255   13.090   0.8372 0.5021000 1.108000 
1 1 1   33    9    7 o   17.540   0.4368   17.690   0.5932   17.390   0.6414 0.2938000 0.8737000 
1 1 1   33    9    8 o   31.670   0.3633   31.440   0.4967   31.900   0.5304 -0.4562000 0.7267000 
1 1 1   33    9    9 o   15.350   0.5504   14.920   0.7721   15.770   0.7847 -0.8504000 1.101000 
1 1 1   33    9   10 o   28.200   0.3488   28.540   0.4818   27.870   0.5046 0.6671000 0.6977000 
1 1 1   33    9   11 o   35.250   0.3787   34.570   0.5841   35.920   0.4821 -1.348000 0.7573000 
1 1 1   33    9   12 o   35.120   0.3666   35.350   0.5537   34.880   0.4806 0.4636000 0.7332000 
1 1 1   33    9   13 o   10.170   0.7749   10.710   1.0160   9.6270   1.1700 1.082000 1.550000 
1 1 1   33    9   14 o   19.700   0.5069   19.570   0.7373   19.820   0.6958 -0.2502000 1.014000 
1 1 1   33    9   15 o   22.480   0.4379   22.620   0.6259   22.330   0.6126 0.2952000 0.8758000 
1 1 1   33    9   16 o   16.050   0.5037   16.370   0.6848   15.730   0.7387 0.6421000 1.007000 
1 1 1   33    9   17 o   16.520   0.4791   16.480   0.6564   16.570   0.6981 -0.8511000E-01 0.9582000 
1 1 1   33    9   18 o   22.340   0.4592   22.770   0.5837   21.920   0.7090 0.8503000 0.9184000 
1 1 1   33    9   19 o   6.3570   1.3100   6.0600   1.7780   6.6550   1.9240 -0.5951000 2.620000 
1 1 1   33    9   20 o   6.7060   1.1210   6.6790   1.5440   6.7320   1.6260 -0.5347000E-01 2.243000 
1 1 1   33    9   21 o   4.5620   1.0990   6.0470   1.6550   3.0770   1.4450 2.970000 2.197000 
1 1 1   33    9   22 o   3.8010   1.1310   2.8440   1.3560   4.7580   1.8100 -1.914000 2.262000 
1 1 1   33    9   23 o   5.7250   1.2830   5.0560   1.7930   6.3950   1.8360 -1.339000 2.566000 
1 1 1   33    9   24 o   5.7240   1.3840   5.4410   1.9150   6.0060   1.9980 -0.5656000 2.768000 
1 1 1   33    9   25 f   4.7370   1.3070   4.1300   1.7490   5.3440   1.9430 -1.214000 2.615000 
1 1 1   33    9   26 o   3.8830   1.2500   3.6260   1.6820   4.1390   1.8490 -0.5131000 2.499000 
1 1 1   33    9   27 o   3.4580   1.1520   3.4060   1.6250   3.5090   1.6340 -0.1029000 2.304000 
1 1 1   33    9   28 o   3.7570   1.1980   3.4670   1.6090   4.0460   1.7750 -0.5791000 2.396000 
1 1 1   33    9   29 o   2.9290   1.0250   2.4610   1.2490   3.3970   1.6250 -0.9363000 2.050000 
1 1 1   33    9   30 o   2.8100   0.9867   2.6330   1.3180   2.9880   1.4680 -0.3549000 1.973000 
1 1 1   33   11    0 o   19.910   0.3997   19.140   0.4978   20.680   0.6255 -1.540000 0.7994000 
1 1 1   33   11    1 o   39.960   0.3255   40.200   0.4520   39.710   0.4685 0.4873000 0.6510000 
1 1 1   33   11    2 o   39.780   0.3599   41.070   0.4607   38.490   0.5531 2.582000 0.7199000 
1 1 1   33   11    3 o   10.650   0.8016   10.060   1.0760   11.230   1.1880 -1.173000 1.603000 
1 1 1   33   11    4 o   27.730   0.3959   27.600   0.5300   27.860   0.5882 -0.2671000 0.7918000 
1 1 1   33   11    5 o   19.360   0.5294   19.850   0.5743   18.870   0.8895 0.9774000 1.059000 
1 1 1   33   11    6 o   48.200   0.4085   47.590   0.5661   48.810   0.5890 -1.229000 0.8169000 
1 1 1   33   11    7 o   29.920   0.3703   29.730   0.5056   30.110   0.5413 -0.3863000 0.7406000 
1 1 1   33   11    8 o   31.190   0.3435   31.340   0.4785   31.050   0.4928 0.2965000 0.6869000 
1 1 1   33   11    9 o   14.870   0.5497   14.090   0.7977   15.650   0.7565 -1.561000 1.099000 
1 1 1   33   11   10 o   12.110   0.6585   12.190   0.8854   12.020   0.9750 0.1712000 1.317000 
1 1 1   33   11   11 o   10.620   0.7288   10.140   1.0400   11.110   1.0210 -0.9664000 1.458000 
1 1 1   33   11   12 o   30.250   0.3431   29.910   0.4787   30.600   0.4916 -0.6909000 0.6862000 
1 1 1   33   11   13 o   15.080   0.8032   14.510   1.2770   15.640   0.9743 -1.134000 1.606000 
1 1 1   33   11   14 o   18.650   0.6447   17.570   1.0980   19.730   0.6753 -2.168000 1.289000 
1 1 1   33   11   15 o   3.4950   1.0590   4.1550   1.6290   2.8360   1.3550 1.319000 2.119000 
1 1 1   33   11   16 o   9.7370   0.7780   9.4620   1.0710   10.010   1.1290 -0.5495000 1.556000 
1 1 1   33   11   17 o   5.6060   1.2100   5.5190   1.6640   5.6940   1.7560 -0.1746000 2.419000 
1 1 1   33   11   18 o   14.830   0.6447   14.870   0.8207   14.790   0.9944 0.8014000E-01 1.289000 
1 1 1   33   11   19 o   4.2000   1.1930   4.2240   1.6660   4.1750   1.7080 0.4937000E-01 2.386000 
1 1 1   33   11   20 o   7.0390   1.1060   8.6150   1.2670   5.4630   1.8130 3.153000 2.212000 
1 1 1   33   11   21 o   3.1000   1.0060   3.6810   1.5790   2.5200   1.2470 1.161000 2.012000 
1 1 1   33   11   22 o   5.5030   1.2450   4.3260   1.7260   6.6800   1.7940 -2.354000 2.489000 
1 1 1   33   11   23 o   5.1630   1.3630   4.3480   1.8190   5.9790   2.0300 -1.631000 2.726000 
1 1 1   33   11   24 o   3.7920   1.1980   3.6040   1.6310   3.9790   1.7550 -0.3752000 2.396000 
1 1 1   33   11   25 o   3.3820   1.1170   3.5410   1.6220   3.2230   1.5360 0.3183000 2.234000 
1 1 1   33   11   26 o   3.4080   1.1520   3.2190   1.5540   3.5970   1.7030 -0.3781000 2.305000 
1 1 1   33   11   27 o   5.5160   1.4010   5.8080   1.9770   5.2230   1.9840 0.5845000 2.801000 
1 1 1   33   11   28 o   3.4200   1.1560   3.0730   1.5130   3.7660   1.7490 -0.6928000 2.313000 
1 1 1   33   11   29 o   1.9710   0.7156   2.1010   1.0720   1.8400   0.9477 0.2616000 1.431000 
1 1 1   33   13    0 o   37.360   0.4582   36.660   0.6169   38.060   0.6775 -1.396000 0.9163000 
1 1 1   33   13    1 o   43.100   0.4777   43.320   0.6548   42.880   0.6958 0.4398000 0.9554000 
1 1 1   33   13    2 o   8.7530   0.9674   8.9770   1.2160   8.5290   1.5050 0.4483000 1.935000 
1 1 1   33   13    3 f   35.150   0.3752   35.290   0.5178   35.000   0.5432 0.2930000 0.7504000 
1 1 1   33   13    4 o   38.920   0.3399   38.600   0.4683   39.250   0.4926 -0.6446000 0.6797000 
1 1 1   33   13    5 o   23.160   0.3836   23.340   0.5102   22.980   0.5730 0.3604000 0.7672000 
1 1 1   33   13    6 o   7.5770   1.0610   9.3860   1.1650   5.7670   1.7740 3.619000 2.123000 
1 1 1   33   13    7 f   7.0160   1.0810   8.8110   1.2080   5.2210   1.7920 3.590000 2.161000 
1 1 1   33   13    8 o   20.730   0.4147   20.890   0.5688   20.570   0.6037 0.3194000 0.8295000 
1 1 1   33   13    9 o   26.530   0.3554   26.070   0.5016   26.990   0.5035 -0.9188000 0.7107000 
1 1 1   33   13   10 o   6.5160   1.1410   6.1780   1.6200   6.8550   1.6080 -0.6771000 2.283000 
1 1 1   33   13   11 o   14.870   0.6013   15.520   0.8024   14.220   0.8958 1.300000 1.203000 
1 1 1   33   13   12 o   6.2340   1.4280   4.8640   2.0740   7.6040   1.9630 -2.739000 2.856000 
1 1 1   33   13   13 o   20.140   0.4254   19.350   0.6036   20.930   0.5996 -1.583000 0.8508000 
1 1 1   33   13   14 o   12.920   0.6067   12.220   0.8727   13.610   0.8430 -1.396000 1.213000 
1 1 1   33   13   15 o   5.8100   1.1360   4.2480   1.6450   7.3720   1.5670 -3.124000 2.272000 
1 1 1   33   13   16 o   6.1260   1.0420   3.7940   1.5910   8.4580   1.3470 -4.664000 2.085000 
1 1 1   33   13   17 o   16.870   0.6145   18.320   0.7252   15.420   0.9923 2.895000 1.229000 
1 1 1   33   13   18 o   9.5060   0.8608   9.0570   1.2180   9.9550   1.2170 -0.8980000 1.722000 
1 1 1   33   13   19 o   4.5430   1.2360   4.4890   1.7130   4.5980   1.7840 -0.1085000 2.473000 
1 1 1   33   13   20 o   5.1360   1.2640   5.7060   1.7800   4.5660   1.7950 1.140000 2.528000 
1 1 1   33   13   21 o   4.7790   1.2250   3.7290   1.6200   5.8290   1.8370 -2.100000 2.449000 
1 1 1   33   13   22 o   3.9700   1.2460   4.2420   1.8110   3.6980   1.7120 0.5437000 2.492000 
1 1 1   33   13   23 o   4.2830   1.2320   5.0170   1.8400   3.5500   1.6380 1.467000 2.463000 
1 1 1   33   13   24 o   5.5230   1.3620   4.9920   1.8830   6.0540   1.9680 -1.062000 2.723000 
1 1 1   33   13   25 o   4.6290   1.3450   5.5960   2.0800   3.6630   1.7070 1.933000 2.691000 
1 1 1   33   13   26 o   4.7490   1.3390   3.7720   1.7500   5.7260   2.0280 -1.954000 2.678000 
1 1 1   33   13   27 o   2.5620   0.9165   2.4930   1.2650   2.6310   1.3260 -0.1381000 1.833000 
1 1 1   33   13   28 o   2.9400   1.0080   2.8640   1.3980   3.0150   1.4540 -0.1517000 2.017000 
1 1 1   33   15    0 o   21.930   0.5554   21.100   0.5394   22.750   0.9711 -1.652000 1.111000 
1 1 1   33   15    1 o   37.790   0.4506   38.630   0.4648   36.960   0.7721 1.667000 0.9012000 
1 1 1   33   15    2 o   19.240   0.6509   18.230   0.6677   20.250   1.1180 -2.019000 1.302000 
1 1 1   33   15    3 o   17.080   0.7013   16.380   0.6566   17.790   1.2390 -1.411000 1.403000 
1 1 1   33   15    4 o   7.9930   1.3350   5.7840   1.6270   10.200   2.1160 -4.418000 2.670000 
1 1 1   33   15    5 o   17.540   0.7111   18.850   0.5850   16.220   1.2960 2.633000 1.422000 
1 1 1   33   15    6 o   30.290   0.3868   30.870   0.4662   29.720   0.6173 1.152000 0.7736000 
1 1 1   33   15    7 o   31.930   0.3411   32.570   0.4616   31.300   0.5023 1.272000 0.6822000 
1 1 1   33   15    8 o   23.530   0.4331   24.080   0.5964   22.980   0.6283 1.098000 0.8663000 
1 1 1   33   15    9 o   19.090   0.6379   17.300   1.0920   20.880   0.6597 -3.575000 1.276000 
1 1 1   33   15   10 o   6.5130   1.3470   7.6850   1.8550   5.3410   1.9540 2.343000 2.694000 
1 1 1   33   15   11 o   11.380   0.8783   10.680   1.3170   12.080   1.1620 -1.407000 1.757000 
1 1 1   33   15   12 o   11.730   0.6713   11.510   0.9146   11.950   0.9829 -0.4435000 1.343000 
1 1 1   33   15   13 o   17.400   0.4700   17.180   0.6472   17.610   0.6819 -0.4251000 0.9401000 
1 1 1   33   15   14 o   13.940   0.5703   14.000   0.7551   13.880   0.8550 0.1190000 1.141000 
1 1 1   33   15   15 o   10.460   0.7596   9.4340   1.1370   11.480   1.0070 -2.046000 1.519000 
1 1 1   33   15   16 o   8.9050   1.1300   9.7140   1.3170   8.0950   1.8380 1.619000 2.261000 
1 1 1   33   15   17 o   9.2080   0.9074   8.7920   1.2830   9.6230   1.2840 -0.8319000 1.815000 
1 1 1   33   15   18 o   5.0050   1.1380   6.6140   1.6560   3.3970   1.5610 3.217000 2.276000 
1 1 1   33   15   19 o   4.2550   1.1770   5.1480   1.7780   3.3620   1.5430 1.786000 2.354000 
1 1 1   33   15   20 o   3.6480   1.1700   3.5160   1.6040   3.7800   1.7030 -0.2637000 2.340000 
1 1 1   33   15   21 o   4.2050   1.2470   3.0310   1.4550   5.3790   2.0250 -2.348000 2.493000 
1 1 1   33   15   22 o   3.3510   1.1080   3.4000   1.5670   3.3020   1.5690 0.9777000E-01 2.217000 
1 1 1   33   15   23 o   3.7270   1.1800   4.1600   1.7740   3.2940   1.5570 0.8659000 2.361000 
1 1 1   33   15   24 o   3.3200   1.1190   3.5330   1.6430   3.1060   1.5200 0.4265000 2.238000 
1 1 1   33   15   25 o   4.2950   1.4090   4.2610   1.9910   4.3300   1.9960 -0.6900000E-01 2.819000 
1 1 1   33   15   26 o   2.8300   0.9980   2.5530   1.2890   3.1070   1.5240 -0.5541000 1.996000 
1 1 1   33   15   27 o   2.4330   0.8650   2.2800   1.1550   2.5860   1.2870 -0.3067000 1.730000 
1 1 1   33   17    0 o   7.7940   1.0140   6.5630   1.5660   9.0250   1.2870 -2.462000 2.027000 
1 1 1   33   17    1 o   16.450   0.4866   17.180   0.6298   15.720   0.7420 1.459000 0.9733000 
1 1 1   33   17    2 o   21.090   0.3932   20.550   0.5398   21.620   0.5719 -1.079000 0.7864000 
1 1 1   33   17    3 o   11.260   0.7536   10.330   1.0980   12.190   1.0330 -1.859000 1.507000 
1 1 1   33   17    4 o   3.9430   1.1800   4.1050   1.6680   3.7810   1.6680 0.3238000 2.359000 
1 1 1   33   17    5 o   3.8980   1.1050   2.4540   1.2140   5.3420   1.8460 -2.888000 2.210000 
1 1 1   33   17    6 o   16.730   0.5290   16.010   0.7443   17.440   0.7519 -1.435000 1.058000 
1 1 1   33   17    7 o   26.390   0.3626   25.930   0.4895   26.860   0.5350 -0.9351000 0.7251000 
1 1 1   33   17    8 o   10.720   0.8592   11.400   0.9104   10.050   1.4570 1.354000 1.718000 
1 1 1   33   17    9 o   4.7420   1.3670   5.6150   2.1020   3.8680   1.7480 1.747000 2.733000 
1 1 1   33   17   10 o   8.8880   1.2930   10.540   1.0370   7.2370   2.3690 3.302000 2.586000 
1 1 1   33   17   11 o   7.1710   1.3590   7.9930   1.3620   6.3490   2.3520 1.644000 2.718000 
1 1 1   33   17   12 o   4.8550   1.3980   4.4050   1.6890   5.3040   2.2270 -0.8987000 2.795000 
1 1 1   33   17   13 o   4.3040   1.3140   4.1220   1.6510   4.4850   2.0460 -0.3632000 2.629000 
1 1 1   33   17   14 f   4.1640   1.2520   4.4730   1.6990   3.8560   1.8400 0.6167000 2.504000 
1 1 1   33   17   15 o   9.2680   1.3220   9.3880   1.4040   9.1470   2.2400 0.2409000 2.644000 
1 1 1   33   17   16 o   6.1950   1.4890   4.9550   1.7670   7.4350   2.3980 -2.479000 2.979000 
1 1 1   33   17   17 o   4.4110   1.3450   4.1850   1.7010   4.6370   2.0850 -0.4516000 2.691000 
1 1 1   33   17   18 o   6.1710   1.6700   5.2030   1.8700   7.1380   2.7660 -1.935000 3.339000 
1 1 1   33   17   19 o   4.8160   1.4280   5.2580   1.9220   4.3730   2.1130 0.8843000 2.857000 
1 1 1   33   17   20 o   4.3350   1.3240   4.6810   1.8320   3.9890   1.9130 0.6925000 2.649000 
1 1 1   33   17   21 o   4.0040   1.2990   4.0110   1.7480   3.9970   1.9210 0.1443000E-01 2.597000 
1 1 1   33   17   22 o   5.1160   1.4740   3.7610   1.6910   6.4710   2.4140 -2.710000 2.947000 
1 1 1   33   17   23 o   3.4110   1.1630   3.2640   1.5490   3.5580   1.7350 -0.2942000 2.326000 
1 1 1   33   17   24 o   3.9790   1.3890   3.3840   1.6710   4.5730   2.2190 -1.189000 2.778000 
1 1 1   33   17   25 o   2.5180   0.9014   2.3910   1.2030   2.6450   1.3420 -0.2536000 1.803000 
1 1 1   33   17   26 o   2.6220   0.9334   2.4310   1.2190   2.8140   1.4140 -0.3834000 1.867000 
1 1 1   33   19    0 o   14.860   0.5210   14.130   0.7337   15.580   0.7398 -1.453000 1.042000 
1 1 1   33   19    1 o   21.050   0.4025   20.780   0.5440   21.310   0.5935 -0.5371000 0.8051000 
1 1 1   33   19    2 o   24.460   0.3670   24.330   0.5033   24.590   0.5343 -0.2566000 0.7340000 
1 1 1   33   19    3 o   16.910   0.4659   17.190   0.6239   16.640   0.6922 0.5492000 0.9319000 
1 1 1   33   19    4 o   17.880   0.4808   19.340   0.6378   16.420   0.7197 2.922000 0.9617000 
1 1 1   33   19    5 o   11.580   0.6681   10.840   0.9518   12.330   0.9379 -1.496000 1.336000 
1 1 1   33   19    6 f   3.9090   1.2280   3.7980   1.6900   4.0190   1.7830 -0.2204000 2.457000 
1 1 1   33   19    7 o   21.610   0.5036   21.640   0.6797   21.570   0.7434 0.6583000E-01 1.007000 
1 1 1   33   19    8 o   15.310   0.5300   14.530   0.7462   16.080   0.7529 -1.551000 1.060000 
1 1 1   33   19    9 o   15.680   0.5310   15.750   0.6913   15.620   0.8062 0.1331000 1.062000 
1 1 1   33   19   10 o   7.7620   1.0620   8.6880   1.2100   6.8370   1.7450 1.852000 2.123000 
1 1 1   33   19   11 o   9.2470   0.9027   9.2110   1.2040   9.2840   1.3450 -0.7269000E-01 1.805000 
1 1 1   33   19   12 o   11.960   0.7175   12.770   0.9020   11.140   1.1160 1.624000 1.435000 
1 1 1   33   19   13 o   5.4630   1.3860   5.6390   1.8990   5.2870   2.0180 0.3519000 2.771000 
1 1 1   33   19   14 o   3.7030   1.1900   2.9340   1.4220   4.4730   1.9080 -1.539000 2.379000 
1 1 1   33   19   15 o   3.7910   1.1750   3.3270   1.5320   4.2560   1.7810 -0.9297000 2.350000 
1 1 1   33   19   16 o   5.1480   1.3060   6.0810   1.8730   4.2150   1.8200 1.867000 2.612000 
1 1 1   33   19   17 o   4.4130   1.3030   4.8790   1.9080   3.9470   1.7740 0.9317000 2.606000 
1 1 1   33   19   18 o   5.3980   1.3100   6.3580   1.8550   4.4370   1.8500 1.921000 2.620000 
1 1 1   33   19   19 o   4.6860   1.2890   3.5180   1.6100   5.8530   2.0140 -2.335000 2.579000 
1 1 1   33   19   20 o   2.9820   1.0250   2.8600   1.3960   3.1040   1.5020 -0.2440000 2.050000 
1 1 1   33   19   21 o   4.6260   1.3130   5.3060   1.9380   3.9460   1.7710 1.360000 2.625000 
1 1 1   33   19   22 o   3.3290   1.1670   3.0630   1.5390   3.5960   1.7550 -0.5322000 2.334000 
1 1 1   33   19   23 f   3.0760   1.0890   2.7760   1.4060   3.3770   1.6630 -0.6019000 2.177000 
1 1 1   33   19   24 o   3.1470   1.0540   2.6140   1.2970   3.6800   1.6610 -1.067000 2.107000 
1 1 1   33   19   25 o   2.5340   0.9192   2.7460   1.3890   2.3220   1.2040 0.4243000 1.838000 
1 1 1   33   21    0 o   24.740   0.3693   24.050   0.5068   25.420   0.5372 -1.375000 0.7385000 
1 1 1   33   21    1 o   9.9990   0.7948   9.4290   1.1290   10.570   1.1190 -1.140000 1.590000 
1 1 1   33   21    2 o   25.690   0.4442   25.940   0.6082   25.440   0.6474 0.5082000 0.8883000 
1 1 1   33   21    3 o   15.830   0.6175   15.310   0.8657   16.350   0.8809 -1.040000 1.235000 
1 1 1   33   21    4 o   5.7290   1.3610   6.2120   1.8900   5.2450   1.9600 0.9665000 2.723000 
1 1 1   33   21    5 o   15.560   0.5270   15.140   0.7237   15.970   0.7663 -0.8253000 1.054000 
1 1 1   33   21    6 o   8.3650   0.9902   7.8980   1.3570   8.8320   1.4420 -0.9338000 1.980000 
1 1 1   33   21    7 o   7.6110   1.0720   6.1260   1.6550   9.0970   1.3640 -2.970000 2.144000 
1 1 1   33   21    8 o   15.600   0.5496   15.660   0.7323   15.550   0.8197 0.1085000 1.099000 
1 1 1   33   21    9 o   27.920   0.3787   27.930   0.5101   27.910   0.5600 0.2499000E-01 0.7575000 
1 1 1   33   21   10 o   4.6270   1.2650   4.8040   1.7650   4.4500   1.8140 0.3545000 2.531000 
1 1 1   33   21   11 o   3.6030   1.1710   2.7170   1.3330   4.4890   1.9270 -1.772000 2.343000 
1 1 1   33   21   12 o   11.910   0.8717   12.490   1.0150   11.320   1.4180 1.170000 1.743000 
1 1 1   33   21   13 o   6.8900   1.3550   6.7100   1.8570   7.0710   1.9740 -0.3618000 2.710000 
1 1 1   33   21   14 o   8.8280   1.1900   7.7250   1.7790   9.9320   1.5820 -2.207000 2.381000 
1 1 1   33   21   15 o   8.3140   1.1760   6.8320   1.8380   9.7950   1.4680 -2.963000 2.352000 
1 1 1   33   21   16 o   4.6720   1.3000   5.3620   1.9080   3.9830   1.7680 1.379000 2.601000 
1 1 1   33   21   17 o   3.4520   1.1150   4.2000   1.7810   2.7030   1.3420 1.497000 2.230000 
1 1 1   33   21   18 o   4.2620   1.2890   3.9290   1.7320   4.5950   1.9090 -0.6663000 2.578000 
1 1 1   33   21   19 o   5.8930   1.2630   7.6870   1.7770   4.0990   1.7950 3.588000 2.526000 
1 1 1   33   21   20 o   3.8380   1.2510   3.4310   1.6380   4.2440   1.8900 -0.8127000 2.501000 
1 1 1   33   21   21 o   3.3210   1.1630   3.2000   1.5920   3.4420   1.6960 -0.2415000 2.327000 
1 1 1   33   21   22 o   2.4970   0.8855   2.4450   1.2300   2.5490   1.2750 -0.1037000 1.771000 
1 1 1   33   21   23 o   2.5040   0.8833   2.6470   1.3060   2.3610   1.1890 0.2858000 1.767000 
1 1 1   33   23    0 o   4.9930   1.1250   6.5590   1.6150   3.4270   1.5680 3.132000 2.251000 
1 1 1   33   23    1 o   6.9380   1.1730   7.5040   1.4810   6.3720   1.8200 1.133000 2.347000 
1 1 1   33   23    2 o   6.8580   1.1900   6.7090   1.6330   7.0070   1.7330 -0.2981000 2.381000 
1 1 1   33   23    3 o   3.1600   1.0340   3.5380   1.5610   2.7830   1.3550 0.7543000 2.067000 
1 1 1   33   23    4 o   11.680   0.7228   10.480   1.0670   12.890   0.9751 -2.409000 1.446000 
1 1 1   33   23    5 o   10.170   0.8483   8.7700   1.3080   11.580   1.0810 -2.807000 1.697000 
1 1 1   33   23    6 o   18.120   0.4866   17.940   0.6675   18.310   0.7082 -0.3679000 0.9732000 
1 1 1   33   23    7 o   3.8740   1.1700   4.1830   1.6990   3.5640   1.6090 0.6192000 2.340000 
1 1 1   33   23    8 o   4.2680   1.2910   4.0380   1.7270   4.4980   1.9200 -0.4601000 2.582000 
1 1 1   33   23    9 o   8.0580   1.4340   6.8020   2.0520   9.3140   2.0040 -2.512000 2.868000 
1 1 1   33   23   10 o   7.2400   1.3130   6.1810   1.9380   8.2980   1.7710 -2.117000 2.625000 
1 1 1   33   23   11 o   4.1420   1.2730   3.8850   1.7410   4.3980   1.8570 -0.5134000 2.545000 
1 1 1   33   23   12 o   4.2000   1.2550   3.9870   1.7200   4.4140   1.8280 -0.4269000 2.510000 
1 1 1   33   23   13 o   6.4990   1.3410   6.1980   1.8620   6.8000   1.9290 -0.6028000 2.681000 
1 1 1   33   23   14 o   5.7230   1.3910   5.5450   1.9110   5.9010   2.0230 -0.3559000 2.783000 
1 1 1   33   23   15 o   3.9360   1.1900   4.8560   1.8780   3.0160   1.4620 1.840000 2.380000 
1 1 1   33   23   16 o   4.2920   1.2530   3.3030   1.5550   5.2800   1.9650 -1.977000 2.505000 
1 1 1   33   23   17 o   4.2530   1.2690   4.6740   1.8730   3.8310   1.7140 0.8434000 2.539000 
1 1 1   33   23   18 o   3.2390   1.1050   3.3740   1.6060   3.1050   1.5190 0.2695000 2.210000 
1 1 1   33   23   19 o   3.1650   1.0770   3.2750   1.5480   3.0540   1.4970 0.2215000 2.153000 
1 1 1   33   23   20 o   2.4880   0.8889   2.5190   1.2720   2.4570   1.2420 0.6232000E-01 1.778000 
1 1 1   33   23   21 o   2.2250   0.7991   2.0250   1.0350   2.4240   1.2180 -0.3987000 1.598000 
1 1 1   33   25    0 o   4.5160   1.2520   3.9940   1.6900   5.0390   1.8480 -1.045000 2.504000 
1 1 1   33   25    1 o   7.8310   1.1020   6.0650   1.7640   9.5980   1.3230 -3.532000 2.205000 
1 1 1   33   25    2 o   4.1510   1.2700   4.2860   1.8110   4.0160   1.7790 0.2695000 2.539000 
1 1 1   33   25    3 f   11.610   0.8574   12.100   1.1500   11.130   1.2720 0.9666000 1.715000 
1 1 1   33   25    4 o   7.4010   1.5090   7.6140   2.0580   7.1880   2.2090 0.4253000 3.019000 
1 1 1   33   25    5 o   4.7310   1.3840   5.6290   2.1080   3.8330   1.7950 1.796000 2.769000 
1 1 1   33   25    6 o   13.040   0.9424   12.220   1.3760   13.870   1.2880 -1.650000 1.885000 
1 1 1   33   25    7 o   5.0180   1.3240   4.6950   1.8280   5.3410   1.9150 -0.6457000 2.647000 
1 1 1   33   25    8 o   3.5920   1.1420   3.7380   1.6480   3.4450   1.5820 0.2926000 2.285000 
1 1 1   33   25    9 o   3.4540   1.1070   4.0630   1.7260   2.8450   1.3880 1.218000 2.215000 
1 1 1   33   25   10 o   3.1800   1.0630   2.9660   1.4280   3.3940   1.5760 -0.4279000 2.127000 
1 1 1   33   25   11 o   3.7620   1.1840   3.3930   1.5700   4.1300   1.7730 -0.7372000 2.368000 
1 1 1   33   25   12 o   10.970   0.9451   12.300   1.1280   9.6460   1.5160 2.657000 1.890000 
1 1 1   33   25   13 o   5.9760   1.3000   7.5200   1.8150   4.4310   1.8610 3.089000 2.600000 
1 1 1   33   25   14 o   3.7070   1.1950   3.4680   1.6210   3.9460   1.7550 -0.4777000 2.389000 
1 1 1   33   25   15 o   3.8420   1.2270   2.8900   1.4350   4.7950   1.9920 -1.905000 2.455000 
1 1 1   33   25   16 o   3.1110   1.0760   2.8400   1.4110   3.3820   1.6260 -0.5417000 2.153000 
1 1 1   33   25   17 o   2.7500   0.9701   2.4250   1.2190   3.0750   1.5090 -0.6491000 1.940000 
1 1 1   33   25   18 o   2.3900   0.8583   2.3770   1.2080   2.4030   1.2200 -0.2531000E-01 1.717000 
1 1 1   33   25   19 o   1.8140   0.6688   1.8650   0.9717   1.7640   0.9193 0.1017000 1.338000 
1 1 1   33   27    0 o   7.1010   1.3590   5.6600   1.9770   8.5420   1.8650 -2.882000 2.718000 
1 1 1   33   27    1 o   5.1280   1.4060   4.9780   1.9450   5.2790   2.0310 -0.3014000 2.812000 
1 1 1   33   27    2 o   6.5710   1.2970   6.9520   1.7590   6.1900   1.9070 0.7622000 2.595000 
1 1 1   33   27    3 o   5.9160   1.3090   6.6940   1.7930   5.1380   1.9090 1.555000 2.619000 
1 1 1   33   27    4 o   6.3360   1.3040   5.8420   1.8580   6.8300   1.8310 -0.9882000 2.608000 
1 1 1   33   27    5 o   5.7850   1.3040   6.8100   1.8230   4.7590   1.8660 2.051000 2.608000 
1 1 1   33   27    6 o   5.2420   1.2910   6.2840   1.8680   4.2000   1.7820 2.084000 2.581000 
1 1 1   33   27    7 o   6.0740   1.3150   5.4230   1.8850   6.7250   1.8340 -1.303000 2.630000 
1 1 1   33   27    8 o   4.2880   1.2710   4.2710   1.7840   4.3050   1.8110 -0.3413000E-01 2.542000 
1 1 1   33   27    9 o   2.9740   1.0150   2.9250   1.4160   3.0230   1.4560 -0.9790000E-01 2.031000 
1 1 1   33   27   10 o   3.3650   1.1360   3.2470   1.5610   3.4830   1.6500 -0.2360000 2.271000 
1 1 1   33   27   11 o   4.4400   1.3410   4.9170   1.9840   3.9640   1.8040 0.9529000 2.682000 
1 1 1   33   27   12 o   4.9120   1.4080   4.6960   1.9400   5.1280   2.0420 -0.4316000 2.817000 
1 1 1   33   27   13 o   3.8800   1.2110   3.8710   1.7040   3.8880   1.7220 -0.1702000E-01 2.422000 
1 1 1   33   27   14 o   2.7450   0.9539   2.4660   1.2330   3.0250   1.4560 -0.5589000 1.908000 
1 1 1   33   27   15 o   2.3530   0.8459   2.4010   1.2180   2.3040   1.1740 0.9693000E-01 1.692000 
1 1 1   33   27   16 o   2.2830   0.8375   2.2630   1.1740   2.3040   1.1950 -0.4174000E-01 1.675000 
1 1 1   33   29    0 o   3.9960   1.2070   4.6420   1.8130   3.3500   1.5960 1.292000 2.415000 
1 1 1   33   29    1 f   3.3060   1.0920   3.4280   1.5700   3.1850   1.5190 0.2432000 2.184000 
1 1 1   33   29    2 o   3.6050   1.1560   3.6630   1.6400   3.5460   1.6280 0.1176000 2.311000 
1 1 1   33   29    3 o   3.2070   1.1030   3.4210   1.6150   2.9930   1.5040 0.4285000 2.207000 
1 1 1   33   29    4 o   4.8130   1.3930   4.2160   1.8430   5.4110   2.0880 -1.196000 2.785000 
1 1 1   33   29    5 o   3.2850   1.1120   3.5550   1.6570   3.0150   1.4830 0.5405000 2.224000 
1 1 1   33   29    6 o   4.2190   1.3160   4.1690   1.8450   4.2690   1.8780 -0.1007000 2.633000 
1 1 1   33   29    7 o   2.9720   1.0310   2.4900   1.2580   3.4540   1.6350 -0.9637000 2.063000 
1 1 1   33   29    8 o   3.2140   1.0720   3.0860   1.4690   3.3430   1.5620 -0.2573000 2.144000 
1 1 1   33   29    9 o   3.9380   1.2020   4.4070   1.7970   3.4690   1.5970 0.9384000 2.404000 
1 1 1   33   29   10 o   4.2560   1.2460   4.6180   1.8180   3.8940   1.7050 0.7234000 2.493000 
1 1 1   33   29   11 f   2.5720   0.9015   2.2010   1.1150   2.9430   1.4170 -0.7424000 1.803000 
1 1 1   33   29   12 o   2.3630   0.8481   2.2140   1.1290   2.5120   1.2660 -0.2983000 1.696000 
1 1 1   33   31    0 o   3.6940   1.1450   4.3010   1.7610   3.0860   1.4630 1.214000 2.290000 
1 1 1   33   31    1 o   3.1560   1.0480   2.7700   1.3490   3.5430   1.6050 -0.7738000 2.097000 
1 1 1   33   31    2 f   3.2320   1.0670   2.8570   1.3820   3.6070   1.6250 -0.7505000 2.134000 
1 1 1   33   31    3 o   1.9490   0.7057   1.9760   1.0100   1.9220   0.9857 0.5432000E-01 1.411000 
1 1 1   33   31    4 o   2.3450   0.8375   1.8720   0.9608   2.8180   1.3720 -0.9462000 1.675000 
1 1 1   33   31    5 o   2.4540   0.8660   2.7020   1.3240   2.2060   1.1160 0.4961000 1.732000 
1 1 1   33   31    6 o   2.8070   0.9619   2.9000   1.3940   2.7130   1.3260 0.1863000 1.924000 
1 1 1   34    0    0 o   9.0410   0.7088   9.0410   0.7088   9.0410   0.7088 -0.000000 0.000000 
1 1 1   34    0    1 o   54.100   0.5055   54.100   0.5055   54.100   0.5055 -0.000000 0.000000 
1 1 1   34    0    2 o   9.9800   0.7665   9.9800   0.7665   9.9800   0.7665 -0.000000 0.000000 
1 1 1   34    0    3 o   37.350   0.4020   37.350   0.4020   37.350   0.4020 -0.000000 0.000000 
1 1 1   34    0    4 o   10.140   1.3020   10.140   1.3020   10.140   1.3020 0.000000 0.000000 
1 1 1   34    0    5 o   50.320   0.7067   50.320   0.7067   50.320   0.7067 0.000000 0.000000 
1 1 1   34    0    6 o   30.430   0.5027   30.430   0.5027   30.430   0.5027 -0.000000 0.000000 
1 1 1   34    0    7 o   52.010   0.5150   52.010   0.5150   52.010   0.5150 0.000000 0.000000 
1 1 1   34    0    8 o   19.350   0.5472   19.350   0.5472   19.350   0.5472 0.000000 0.000000 
1 1 1   34    0    9 o   19.300   0.7475   19.300   0.7475   19.300   0.7475 0.000000 0.000000 
1 1 1   34    0   10 o   63.420   0.6074   63.420   0.6074   63.420   0.6074 0.000000 0.000000 
1 1 1   34    0   11 o   29.440   0.6031   29.440   0.6031   29.440   0.6031 0.000000 0.000000 
1 1 1   34    0   12 f   21.550   0.5600   21.550   0.5600   21.550   0.5600 -0.000000 0.000000 
1 1 1   34    0   13 o   2.2800   1.5510   2.2800   1.5510   2.2800   1.5510 -0.000000 0.000000 
1 1 1   34    0   14 o   21.740   0.7555   21.740   0.7555   21.740   0.7555 0.000000 0.000000 
1 1 1   34    0   15 o   23.470   0.5325   23.470   0.5325   23.470   0.5325 -0.000000 0.000000 
1 1 1   34    0   16 o   25.140   0.5203   25.140   0.5203   25.140   0.5203 -0.000000 0.000000 
1 1 1   34    0   17 o   5.2850   2.2030   5.2850   2.2030   5.2850   2.2030 -0.000000 0.000000 
1 1 1   34    0   18 o   2.2330   1.5730   2.2330   1.5730   2.2330   1.5730 -0.000000 0.000000 
1 1 1   34    0   19 o   6.7300   3.2310   6.7300   3.2310   6.7300   3.2310 -0.000000 0.000000 
1 1 1   34    0   20 f   9.5250   1.5290   9.5250   1.5290   9.5250   1.5290 0.000000 0.000000 
1 1 1   34    0   21 o   9.2070   1.6440   9.2070   1.6440   9.2070   1.6440 -0.000000 0.000000 
1 1 1   34    0   22 o   3.0660   1.9830   3.0660   1.9830   3.0660   1.9830 0.000000 0.000000 
1 1 1   34    0   23 o   2.1060   1.5050   2.1060   1.5050   2.1060   1.5050 -0.000000 0.000000 
1 1 1   34    0   24 o   11.070   1.5140   11.070   1.5140   11.070   1.5140 0.000000 0.000000 
1 1 1   34    0   25 o   9.3510   2.1240   9.3510   2.1240   9.3510   2.1240 -0.000000 0.000000 
1 1 1   34    0   26 o   2.5950   1.8220   2.5950   1.8220   2.5950   1.8220 -0.000000 0.000000 
1 1 1   34    0   27 f   3.1290   2.1660   3.1290   2.1660   3.1290   2.1660 0.000000 0.000000 
1 1 1   34    0   28 o   2.1740   1.5760   2.1740   1.5760   2.1740   1.5760 0.000000 0.000000 
1 1 1   34    0   29 o   6.2260   2.7920   6.2260   2.7920   6.2260   2.7920 -0.000000 0.000000 
1 1 1   34    0   30 o   4.0630   2.4680   4.0630   2.4680   4.0630   2.4680 -0.000000 0.000000 
1 1 1   34    0   31 o   2.3640   1.7320   2.3640   1.7320   2.3640   1.7320 0.000000 0.000000 
1 1 1   34    2    0 o   42.090   0.3388   41.800   0.4759   42.370   0.4822 -0.5703000 0.6775000 
1 1 1   34    2    1 o   71.720   0.4606   71.370   0.6481   72.070   0.6547 -0.7013000 0.9212000 
1 1 1   34    2    2 o   33.250   0.2695   33.240   0.3808   33.250   0.3816 -0.1385000E-01 0.5391000 
1 1 1   34    2    3 o   18.300   0.3602   17.430   0.5373   19.160   0.4799 -1.723000 0.7204000 
1 1 1   34    2    4 o   36.480   0.3328   36.550   0.4718   36.410   0.4694 0.1393000 0.6656000 
1 1 1   34    2    5 f   51.750   0.5882   51.160   0.5794   52.330   1.0240 -1.167000 1.176000 
1 1 1   34    2    6 o   71.830   0.7739   71.210   0.7597   72.450   1.3480 -1.236000 1.548000 
1 1 1   34    2    7 o   27.040   0.4838   27.040   0.4838  ?   ?       ?      ? 
1 1 1   34    2    8 o   6.2140   1.2010   6.1380   1.5500   6.2910   1.8350 -0.1531000 2.402000 
1 1 1   34    2    9 o   17.200   0.5083   17.490   0.5964   16.900   0.8232 0.5980000 1.017000 
1 1 1   34    2   10 o   20.080   0.4683   20.410   0.5488   19.760   0.7590 0.6512000 0.9367000 
1 1 1   34    2   11 o   13.920   0.6393   14.300   0.7733   13.540   1.0180 0.7621000 1.279000 
1 1 1   34    2   12 o   19.180   0.5068   19.280   0.6098   19.070   0.8096 0.2075000 1.014000 
1 1 1   34    2   13 o   15.260   0.6282   14.590   0.8188   15.940   0.9529 -1.349000 1.256000 
1 1 1   34    2   14 o   14.890   0.7455   15.180   0.8816   14.610   1.2020 0.5716000 1.491000 
1 1 1   34    2   15 o   22.880   0.4464   23.100   0.5314   22.670   0.7173 0.4321000 0.8927000 
1 1 1   34    2   16 o   14.630   0.6190   15.560   0.6764   13.710   1.0370 1.852000 1.238000 
1 1 1   34    2   17 o   3.5370   1.1160   3.6190   1.5510   3.4550   1.6060 0.1644000 2.232000 
1 1 1   34    2   18 o   5.0530   1.3440   4.5370   1.8430   5.5680   1.9580 -1.031000 2.688000 
1 1 1   34    2   19 o   9.4360   1.4010   7.9980   1.5180   10.870   2.3550 -2.875000 2.802000 
1 1 1   34    2   20 o   9.6210   0.8306   8.9240   1.1540   10.320   1.1950 -1.395000 1.661000 
1 1 1   34    2   21 o   3.1600   0.9951   4.0080   1.6230   2.3120   1.1510 1.696000 1.990000 
1 1 1   34    2   22 f   4.2400   1.1070   2.9460   1.3850   5.5350   1.7280 -2.589000 2.214000 
1 1 1   34    2   23 f   4.4330   1.2040   3.9800   1.6490   4.8850   1.7550 -0.9056000 2.408000 
1 1 1   34    2   24 o   4.5550   1.2110   5.4300   1.7980   3.6800   1.6230 1.750000 2.422000 
1 1 1   34    2   25 o   5.9640   1.3140   6.2780   1.8330   5.6500   1.8840 0.6273000 2.629000 
1 1 1   34    2   26 o   5.9130   1.4430   5.8440   2.0130   5.9820   2.0680 -0.1376000 2.886000 
1 1 1   34    2   27 o   4.8280   1.3840   3.8270   1.7720   5.8290   2.1270 -2.002000 2.769000 
1 1 1   34    2   28 o   5.2950   1.3140   3.7850   1.7090   6.8040   1.9970 -3.019000 2.628000 
1 1 1   34    2   29 o   4.0230   1.2540   3.9420   1.7480   4.1040   1.7980 -0.1621000 2.508000 
1 1 1   34    2   30 o   2.7070   0.9584   2.7740   1.3850   2.6400   1.3260 0.1340000 1.917000 
1 1 1   34    2   31 o   2.6550   0.9469   2.8100   1.3980   2.5010   1.2780 0.3090000 1.894000 
1 1 1   34    4    0 o   24.160   0.3199   23.940   0.3686   24.380   0.5229 -0.4350000 0.6398000 
1 1 1   34    4    1 o   23.790   0.4062   23.960   0.6054   23.610   0.5416 0.3509000 0.8124000 
1 1 1   34    4    2 o   30.050   0.2988   30.010   0.3753   30.090   0.4652 -0.7766000E-01 0.5977000 
1 1 1   34    4    3 o   44.930   0.3788   44.760   0.4503   45.100   0.6092 -0.3420000 0.7576000 
1 1 1   34    4    4 o   17.340   0.3778   17.430   0.4883   17.260   0.5767 0.1692000 0.7556000 
1 1 1   34    4    5 o   20.090   0.3773   20.130   0.4737   20.050   0.5873 0.7848000E-01 0.7546000 
1 1 1   34    4    6 o   13.020   0.6453   13.190   0.8443   12.850   0.9762 0.3374000 1.291000 
1 1 1   34    4    7 o   19.230   0.3777   18.910   0.5255   19.540   0.5427 -0.6249000 0.7554000 
1 1 1   34    4    8 o   20.760   0.3779   20.880   0.5202   20.630   0.5482 0.2484000 0.7558000 
1 1 1   34    4    9 o   5.7250   1.1750   6.0920   1.6200   5.3590   1.7020 0.7330000 2.350000 
1 1 1   34    4   10 o   10.270   0.7470   9.6230   1.0940   10.920   1.0180 -1.300000 1.494000 
1 1 1   34    4   11 o   14.060   0.5606   13.470   0.8212   14.640   0.7633 -1.167000 1.121000 
1 1 1   34    4   12 o   6.4260   1.1990   7.6650   1.5490   5.1870   1.8300 2.478000 2.397000 
1 1 1   34    4   13 o   15.900   0.5399   15.870   0.7320   15.930   0.7938 -0.5941000E-01 1.080000 
1 1 1   34    4   14 o   19.450   0.4916   19.100   0.7190   19.810   0.6707 -0.7037000 0.9833000 
1 1 1   34    4   15 o   11.690   0.7214   11.640   1.1080   11.730   0.9246 -0.9454000E-01 1.443000 
1 1 1   34    4   16 o   20.820   0.3914   20.460   0.5492   21.180   0.5579 -0.7142000 0.7829000 
1 1 1   34    4   17 o   18.120   0.5082   18.700   0.7393   17.540   0.6977 1.160000 1.016000 
1 1 1   34    4   18 o   9.2700   0.9930   8.1160   1.6340   10.420   1.1280 -2.308000 1.986000 
1 1 1   34    4   19 o   7.5710   1.1830   7.7970   1.4560   7.3440   1.8660 0.4529000 2.367000 
1 1 1   34    4   20 o   4.4770   1.1580   5.2400   1.6740   3.7140   1.6000 1.526000 2.316000 
1 1 1   34    4   21 o   2.7720   0.9354   2.2530   1.1220   3.2910   1.4970 -1.038000 1.871000 
1 1 1   34    4   22 o   3.8020   1.1370   4.1640   1.6640   3.4410   1.5490 0.7229000 2.274000 
1 1 1   34    4   23 o   6.1440   1.2140   7.1290   1.5870   5.1590   1.8370 1.970000 2.427000 
1 1 1   34    4   24 o   3.3190   1.0800   3.0040   1.4250   3.6340   1.6230 -0.6302000 2.160000 
1 1 1   34    4   25 o   5.9930   1.2680   4.6610   1.8040   7.3250   1.7830 -2.664000 2.536000 
1 1 1   34    4   26 o   4.8880   1.3820   4.4930   1.8900   5.2820   2.0180 -0.7884000 2.765000 
1 1 1   34    4   27 o   6.8850   1.4880   6.5110   2.1160   7.2580   2.0930 -0.7470000 2.976000 
1 1 1   34    4   28 f   4.8930   1.3610   4.9510   1.9140   4.8350   1.9350 0.1157000 2.722000 
1 1 1   34    4   29 o   3.0220   1.0340   2.5990   1.2970   3.4460   1.6110 -0.8472000 2.068000 
1 1 1   34    4   30 o   2.7990   0.9853   2.8540   1.4200   2.7430   1.3660 0.1102000 1.971000 
1 1 1   34    4   31 o   2.2670   0.8266   1.9950   1.0270   2.5390   1.2950 -0.5439000 1.653000 
1 1 1   34    6    0 o   21.880   0.4247   18.850   0.5374   24.910   0.6578 -6.058000 0.8494000 
1 1 1   34    6    1 o   31.420   0.3973   31.330   0.5996   31.500   0.5216 -0.1679000 0.7947000 
1 1 1   34    6    2 o   40.160   0.3167   40.280   0.4718   40.050   0.4226 0.2256000 0.6333000 
1 1 1   34    6    3 o   38.300   0.2975   38.650   0.4202   37.950   0.4211 0.7017000 0.5949000 
1 1 1   34    6    4 o   32.380   0.3070   32.940   0.4084   31.820   0.4584 1.120000 0.6139000 
1 1 1   34    6    5 o   13.990   0.5929   14.240   0.7520   13.740   0.9169 0.5036000 1.186000 
1 1 1   34    6    6 o   57.000   0.4568   56.880   0.6402   57.110   0.6518 -0.2303000 0.9136000 
1 1 1   34    6    7 o   47.610   0.3498   47.480   0.4897   47.740   0.4997 -0.2592000 0.6997000 
1 1 1   34    6    8 o   11.620   0.6855   12.150   0.8270   11.100   1.0940 1.046000 1.371000 
1 1 1   34    6    9 f   29.820   0.3475   30.150   0.5011   29.500   0.4816 0.6510000 0.6951000 
1 1 1   34    6   10 o   40.150   0.3397   40.080   0.4772   40.230   0.4835 -0.1564000 0.6793000 
1 1 1   34    6   11 o   5.2010   1.2740   5.2670   1.7680   5.1350   1.8340 0.1325000 2.548000 
1 1 1   34    6   12 o   13.010   0.6047   12.490   0.8623   13.540   0.8481 -1.059000 1.209000 
1 1 1   34    6   13 o   8.0390   0.9905   7.0160   1.5300   9.0630   1.2580 -2.047000 1.981000 
1 1 1   34    6   14 o   29.640   0.3980   30.050   0.5725   29.240   0.5532 0.8172000 0.7961000 
1 1 1   34    6   15 o   30.300   0.3385   30.010   0.4761   30.590   0.4813 -0.5872000 0.6770000 
1 1 1   34    6   16 o   28.630   0.3412   28.180   0.4775   29.090   0.4875 -0.9172000 0.6824000 
1 1 1   34    6   17 o   4.4390   1.2480   4.9900   1.8500   3.8880   1.6740 1.103000 2.495000 
1 1 1   34    6   18 o   16.560   0.4704   16.640   0.6379   16.480   0.6915 0.1667000 0.9408000 
1 1 1   34    6   19 o   3.8820   1.1960   4.0870   1.6970   3.6770   1.6840 0.4105000 2.391000 
1 1 1   34    6   20 o   3.5500   1.0930   3.7770   1.5910   3.3220   1.4980 0.4554000 2.185000 
1 1 1   34    6   21 o   4.5210   1.1070   2.9250   1.3670   6.1160   1.7420 -3.191000 2.214000 
1 1 1   34    6   22 o   6.8250   1.1500   7.7280   1.4570   5.9230   1.7790 1.805000 2.300000 
1 1 1   34    6   23 o   11.370   0.7382   11.350   1.0060   11.400   1.0810 -0.4391000E-01 1.476000 
1 1 1   34    6   24 o   10.850   0.8385   12.500   0.9380   9.1990   1.3900 3.298000 1.677000 
1 1 1   34    6   25 o   3.4790   1.1300   4.1440   1.7790   2.8140   1.3930 1.330000 2.259000 
1 1 1   34    6   26 o   3.9050   1.2180   4.2140   1.7840   3.5960   1.6580 0.6175000 2.435000 
1 1 1   34    6   27 o   3.8660   1.2500   4.1150   1.8300   3.6170   1.7020 0.4980000 2.499000 
1 1 1   34    6   28 o   3.2470   1.0880   2.9870   1.4430   3.5080   1.6280 -0.5213000 2.175000 
1 1 1   34    6   29 o   3.5490   1.1830   3.6820   1.7350   3.4170   1.6100 0.2653000 2.366000 
1 1 1   34    6   30 o   3.3180   1.1300   3.3150   1.6020   3.3200   1.5940 -0.4198000E-02 2.260000 
1 1 1   34    8    0 o   39.680   0.3591   39.960   0.5075   39.390   0.5082 0.5717000 0.7182000 
1 1 1   34    8    1 o   39.230   0.2999   39.370   0.4205   39.080   0.4277 0.2862000 0.5998000 
1 1 1   34    8    2 o   24.090   0.2922   24.690   0.3956   23.490   0.4302 1.195000 0.5844000 
1 1 1   34    8    3 o   40.090   0.3630   39.710   0.4845   40.470   0.5406 -0.7591000 0.7259000 
1 1 1   34    8    4 o   18.890   0.3832   18.930   0.4925   18.850   0.5871 0.8068000E-01 0.7663000 
1 1 1   34    8    5 o   24.890   0.3987   24.820   0.5252   24.960   0.6000 -0.1378000 0.7974000 
1 1 1   34    8    6 o   29.650   0.3225   29.240   0.4493   30.050   0.4627 -0.8083000 0.6450000 
1 1 1   34    8    7 o   41.020   0.3566   40.460   0.4679   41.580   0.5384 -1.119000 0.7133000 
1 1 1   34    8    8 o   19.920   0.4077   19.770   0.5594   20.070   0.5932 -0.2940000 0.8153000 
1 1 1   34    8    9 o   31.860   0.3651   31.920   0.4987   31.800   0.5333 0.1227000 0.7302000 
1 1 1   34    8   10 o   12.250   0.6831   11.790   0.9682   12.720   0.9639 -0.9246000 1.366000 
1 1 1   34    8   11 o   15.160   0.5171   15.160   0.7142   15.160   0.7479 -0.5142000E-02 1.034000 
1 1 1   34    8   12 o   30.920   0.3398   30.910   0.4759   30.930   0.4852 -0.1728000E-01 0.6796000 
1 1 1   34    8   13 o   16.110   0.5081   17.850   0.6614   14.360   0.7715 3.486000 1.016000 
1 1 1   34    8   14 o   9.0350   1.0090   8.6690   1.5290   9.4000   1.3160 -0.7313000 2.017000 
1 1 1   34    8   15 o   10.200   0.8790   9.2710   1.3820   11.120   1.0870 -1.848000 1.758000 
1 1 1   34    8   16 o   26.020   0.4130   25.950   0.5923   26.080   0.5756 -0.1309000 0.8260000 
1 1 1   34    8   17 o   13.110   0.5880   13.730   0.7507   12.490   0.9053 1.236000 1.176000 
1 1 1   34    8   18 o   9.9380   0.8039   11.070   0.9342   8.8040   1.3080 2.269000 1.608000 
1 1 1   34    8   19 o   9.9230   0.9282   9.7620   1.1900   10.090   1.4250 -0.3235000 1.856000 
1 1 1   34    8   20 o   4.3280   1.1460   5.2570   1.7080   3.3990   1.5280 1.858000 2.291000 
1 1 1   34    8   21 o   2.5850   0.8909   2.8310   1.3460   2.3390   1.1680 0.4924000 1.782000 
1 1 1   34    8   22 o   8.9380   0.9652   8.1890   1.4180   9.6860   1.3100 -1.497000 1.930000 
1 1 1   34    8   23 o   3.9960   1.1660   5.2050   1.8920   2.7880   1.3650 2.417000 2.333000 
1 1 1   34    8   24 o   4.3500   1.2440   5.1810   1.8660   3.5190   1.6450 1.663000 2.487000 
1 1 1   34    8   25 o   5.6820   1.3410   7.2290   1.9400   4.1350   1.8510 3.094000 2.681000 
1 1 1   34    8   26 o   3.0520   1.0590   3.1310   1.5260   2.9730   1.4670 0.1589000 2.117000 
1 1 1   34    8   27 f   3.0360   1.0550   2.9600   1.4580   3.1130   1.5250 -0.1539000 2.110000 
1 1 1   34    8   28 o   5.2370   1.3710   4.6390   1.8820   5.8360   1.9950 -1.196000 2.743000 
1 1 1   34    8   29 o   2.6850   0.9550   2.6950   1.3550   2.6760   1.3460 0.1874000E-01 1.910000 
1 1 1   34    8   30 o   2.4150   0.8656   2.4900   1.2570   2.3410   1.1910 0.1486000 1.731000 
1 1 1   34   10    0 o   56.610   0.3873   56.880   0.5454   56.350   0.5502 0.5343000 0.7747000 
1 1 1   34   10    1 o   49.290   0.3776   49.760   0.4971   48.820   0.5684 0.9403000 0.7551000 
1 1 1   34   10    2 o   28.130   0.3150   28.210   0.4255   28.060   0.4645 0.1513000 0.6299000 
1 1 1   34   10    3 o   52.250   0.4226   52.000   0.5890   52.510   0.6062 -0.5138000 0.8452000 
1 1 1   34   10    4 o   21.160   0.4441   21.050   0.5685   21.270   0.6825 -0.2193000 0.8882000 
1 1 1   34   10    5 o   35.410   0.3273   34.870   0.4539   35.950   0.4718 -1.086000 0.6547000 
1 1 1   34   10    6 o   21.500   0.3862   21.090   0.5297   21.910   0.5621 -0.8186000 0.7724000 
1 1 1   34   10    7 o   9.4630   0.8586   8.5390   1.2530   10.390   1.1740 -1.849000 1.717000 
1 1 1   34   10    8 o   30.820   0.3686   30.480   0.5036   31.170   0.5384 -0.6896000 0.7372000 
1 1 1   34   10    9 o   12.960   0.6168   13.240   0.8276   12.680   0.9149 0.5638000 1.234000 
1 1 1   34   10   10 o   16.140   0.4984   16.240   0.6852   16.030   0.7241 0.2046000 0.9969000 
1 1 1   34   10   11 o   6.3630   1.0850   4.4180   1.6840   8.3080   1.3680 -3.890000 2.170000 
1 1 1   34   10   12 o   4.2880   1.1920   4.1760   1.6510   4.4000   1.7190 -0.2243000 2.383000 
1 1 1   34   10   13 o   4.8440   1.3190   5.4590   1.9600   4.2280   1.7640 1.231000 2.637000 
1 1 1   34   10   14 o   12.330   0.8895   13.410   1.3810   11.250   1.1210 2.162000 1.779000 
1 1 1   34   10   15 o   13.700   0.6141   14.090   0.7797   13.300   0.9491 0.7877000 1.228000 
1 1 1   34   10   16 o   13.740   0.5569   13.470   0.7718   14.010   0.8030 -0.5395000 1.114000 
1 1 1   34   10   17 o   10.330   0.7211   10.080   1.0030   10.570   1.0360 -0.4925000 1.442000 
1 1 1   34   10   18 o   10.700   0.9043   11.370   1.0520   10.020   1.4710 1.343000 1.809000 
1 1 1   34   10   19 o   5.1320   1.1880   6.1090   1.6580   4.1560   1.7010 1.952000 2.376000 
1 1 1   34   10   20 o   3.8710   1.1480   4.1520   1.6560   3.5900   1.5920 0.5612000 2.297000 
1 1 1   34   10   21 o   3.2090   1.0400   2.6620   1.2860   3.7560   1.6340 -1.094000 2.080000 
1 1 1   34   10   22 o   4.8630   1.2680   4.4630   1.7370   5.2640   1.8490 -0.8017000 2.537000 
1 1 1   34   10   23 o   4.1300   1.2290   3.1350   1.4900   5.1240   1.9540 -1.989000 2.458000 
1 1 1   34   10   24 o   6.2560   1.3940   5.9740   1.9220   6.5380   2.0210 -0.5641000 2.789000 
1 1 1   34   10   25 f   2.8500   0.9818   2.9920   1.4360   2.7080   1.3390 0.2839000 1.964000 
1 1 1   34   10   26 o   4.8500   1.3880   5.2380   2.0000   4.4610   1.9240 0.7770000 2.776000 
1 1 1   34   10   27 o   3.7050   1.1920   3.8630   1.7220   3.5480   1.6490 0.3152000 2.384000 
1 1 1   34   10   28 o   2.4720   0.8879   2.5590   1.2960   2.3860   1.2140 0.1731000 1.776000 
1 1 1   34   10   29 o   2.5330   0.8956   2.1950   1.1180   2.8700   1.3990 -0.6742000 1.791000 
1 1 1   34   12    0 o   55.760   0.3892   55.210   0.5421   56.300   0.5585 -1.088000 0.7784000 
1 1 1   34   12    1 o   28.400   0.3652   27.360   0.4559   29.440   0.5706 -2.081000 0.7304000 
1 1 1   34   12    2 o   50.500   0.5175   50.950   0.7185   50.050   0.7450 0.8993000 1.035000 
1 1 1   34   12    3 o   45.130   0.4918   44.510   0.6658   45.750   0.7239 -1.243000 0.9836000 
1 1 1   34   12    4 o   61.400   0.4827   60.970   0.6733   61.830   0.6920 -0.8557000 0.9655000 
1 1 1   34   12    5 o   11.350   0.7274   10.370   1.0470   12.330   1.0100 -1.962000 1.455000 
1 1 1   34   12    6 o   25.850   0.3587   26.030   0.4934   25.670   0.5208 0.3522000 0.7174000 
1 1 1   34   12    7 o   33.140   0.3350   32.920   0.4661   33.360   0.4814 -0.4403000 0.6701000 
1 1 1   34   12    8 o   16.140   0.4966   16.390   0.6561   15.890   0.7456 0.4958000 0.9932000 
1 1 1   34   12    9 o   9.0840   0.8597   8.5760   1.2530   9.5920   1.1770 -1.016000 1.719000 
1 1 1   34   12   10 o   3.6740   1.1070   4.0760   1.6340   3.2720   1.4950 0.8046000 2.215000 
1 1 1   34   12   11 o   11.590   0.6644   10.820   0.9538   12.370   0.9253 -1.554000 1.329000 
1 1 1   34   12   12 o   5.4300   1.4810   5.5110   2.1800   5.3500   2.0060 0.1618000 2.962000 
1 1 1   34   12   13 o   5.6170   1.4940   6.2590   2.2520   4.9740   1.9650 1.284000 2.989000 
1 1 1   34   12   14 o   3.5290   1.0720   4.0100   1.6040   3.0480   1.4210 0.9621000 2.143000 
1 1 1   34   12   15 f   5.5120   1.1470   6.7480   1.5460   4.2750   1.6940 2.473000 2.294000 
1 1 1   34   12   16 o   13.640   0.5813   14.660   0.7222   12.610   0.9110 2.042000 1.163000 
1 1 1   34   12   17 o   7.5140   1.4170   8.2410   2.0170   6.7860   1.9920 1.455000 2.834000 
1 1 1   34   12   18 o   5.9750   1.3210   4.7300   1.7980   7.2200   1.9370 -2.490000 2.643000 
1 1 1   34   12   19 o   6.2040   1.1790   5.0800   1.7300   7.3290   1.6010 -2.249000 2.357000 
1 1 1   34   12   20 o   4.1070   1.1780   4.7630   1.7550   3.4520   1.5730 1.311000 2.356000 
1 1 1   34   12   21 o   8.2830   1.0800   10.390   1.1330   6.1790   1.8390 4.208000 2.160000 
1 1 1   34   12   22 o   4.0330   1.2210   4.7320   1.8600   3.3340   1.5830 1.398000 2.443000 
1 1 1   34   12   23 o   4.5160   1.3250   4.1960   1.7930   4.8360   1.9520 -0.6404000 2.651000 
1 1 1   34   12   24 o   5.0680   1.2710   6.2640   1.8660   3.8710   1.7270 2.393000 2.542000 
1 1 1   34   12   25 o   3.0030   1.0420   2.7270   1.3480   3.2790   1.5880 -0.5519000 2.083000 
1 1 1   34   12   26 o   2.9180   1.0230   2.8720   1.4260   2.9650   1.4670 -0.9300000E-01 2.046000 
1 1 1   34   12   27 o   5.1430   1.4610   5.2280   2.0810   5.0570   2.0500 0.1707000 2.921000 
1 1 1   34   12   28 o   2.6780   0.9381   2.3500   1.1890   3.0060   1.4520 -0.6558000 1.876000 
1 1 1   34   12   29 f   1.8950   0.9863   1.8950   0.9863  ?   ?       ?      ? 
1 1 1   34   14    0 o   6.6320   1.4600   4.7860   1.7570   8.4790   2.3310 -3.693000 2.919000 
1 1 1   34   14    1 o   10.450   1.0840   10.010   1.0090   10.890   1.9200 -0.8733000 2.169000 
1 1 1   34   14    2 o   30.110   0.4729   29.980   0.4615   30.240   0.8256 -0.2544000 0.9459000 
1 1 1   34   14    3 o   23.470   0.5381   23.080   0.5037   23.860   0.9511 -0.7780000 1.076000 
1 1 1   34   14    4 o   19.410   0.6234   18.910   0.5881   19.910   1.0990 -0.9923000 1.247000 
1 1 1   34   14    5 o   14.020   0.8644   14.590   0.7122   13.450   1.5750 1.137000 1.729000 
1 1 1   34   14    6 o   9.2020   1.1970   8.3140   1.2020   10.090   2.0710 -1.776000 2.394000 
1 1 1   34   14    7 o   6.2150   1.4390   5.7130   1.6500   6.7170   2.3580 -1.004000 2.877000 
1 1 1   34   14    8 o   15.560   0.5946   16.540   0.6529   14.570   0.9940 1.970000 1.189000 
1 1 1   34   14    9 o   11.280   0.7853   11.390   1.0270   11.170   1.1880 0.2124000 1.571000 
1 1 1   34   14   10 o   7.1400   1.1870   7.9380   1.5010   6.3410   1.8400 1.597000 2.374000 
1 1 1   34   14   11 o   5.7710   1.3660   6.3050   1.9560   5.2370   1.9080 1.068000 2.732000 
1 1 1   34   14   12 f   12.540   0.8330   11.650   1.1910   13.420   1.1650 -1.773000 1.666000 
1 1 1   34   14   13 o   18.960   0.4908   17.750   0.6144   20.160   0.7657 -2.415000 0.9817000 
1 1 1   34   14   14 o   3.8540   1.1280   4.3000   1.6580   3.4070   1.5300 0.8925000 2.256000 
1 1 1   34   14   15 o   8.1320   1.0120   9.9430   1.0480   6.3200   1.7320 3.622000 2.025000 
1 1 1   34   14   16 o   4.2490   1.1480   5.3340   1.7480   3.1650   1.4890 2.170000 2.296000 
1 1 1   34   14   17 o   2.7230   0.9527   2.5450   1.2620   2.9010   1.4280 -0.3564000 1.905000 
1 1 1   34   14   18 o   9.6910   0.8649   10.420   1.0600   8.9670   1.3670 1.450000 1.730000 
1 1 1   34   14   19 o   5.2520   1.2590   6.0090   1.7790   4.4960   1.7830 1.513000 2.518000 
1 1 1   34   14   20 o   11.080   0.7851   10.770   1.1110   11.400   1.1090 -0.6277000 1.570000 
1 1 1   34   14   21 o   4.5600   1.3210   3.9100   1.7200   5.2090   2.0050 -1.299000 2.642000 
1 1 1   34   14   22 o   4.3350   1.2750   3.8470   1.6780   4.8230   1.9210 -0.9764000 2.550000 
1 1 1   34   14   23 o   5.7300   1.3300   4.4280   1.8160   7.0330   1.9440 -2.605000 2.660000 
1 1 1   34   14   24 o   4.0340   1.2410   3.6340   1.6550   4.4340   1.8490 -0.8000000 2.481000 
1 1 1   34   14   25 o   3.9430   1.2700   4.0270   1.8250   3.8590   1.7680 0.1685000 2.541000 
1 1 1   34   14   26 o   2.9080   1.0210   2.5760   1.2990   3.2410   1.5750 -0.6653000 2.042000 
1 1 1   34   14   27 o   3.0100   1.0260   3.3580   1.5730   2.6610   1.3190 0.6967000 2.052000 
1 1 1   34   14   28 o   1.8480   0.6814   1.7800   0.9273   1.9170   0.9988 -0.1372000 1.363000 
1 1 1   34   16    0 o   22.450   0.3826   22.330   0.5125   22.560   0.5683 -0.2275000 0.7653000 
1 1 1   34   16    1 f   40.490   0.3385   40.360   0.4675   40.620   0.4895 -0.2602000 0.6769000 
1 1 1   34   16    2 o   35.780   0.3322   35.890   0.4572   35.660   0.4821 0.2298000 0.6644000 
1 1 1   34   16    3 o   8.6520   0.8947   7.7360   1.3180   9.5690   1.2100 -1.833000 1.789000 
1 1 1   34   16    4 o   11.710   0.6566   11.630   0.8656   11.790   0.9875 -0.1569000 1.313000 
1 1 1   34   16    5 o   33.330   0.4110   32.460   0.5241   34.200   0.6334 -1.738000 0.8221000 
1 1 1   34   16    6 o   10.760   0.8131   9.3690   1.2520   12.140   1.0380 -2.773000 1.626000 
1 1 1   34   16    7 o   13.090   0.6556   12.320   0.9420   13.850   0.9122 -1.526000 1.311000 
1 1 1   34   16    8 f   14.420   0.5515   14.280   0.7297   14.560   0.8271 -0.2759000 1.103000 
1 1 1   34   16    9 o   11.420   0.7736   11.260   0.9600   11.580   1.2130 -0.3228000 1.547000 
1 1 1   34   16   10 o   5.3190   1.3540   4.4030   1.8570   6.2340   1.9710 -1.831000 2.708000 
1 1 1   34   16   11 o   4.9530   1.2990   5.0430   1.7030   4.8630   1.9630 0.1801000 2.599000 
1 1 1   34   16   12 o   16.350   0.7440   17.080   0.6481   15.620   1.3390 1.462000 1.488000 
1 1 1   34   16   13 o   15.400   0.8190   16.720   0.6661   14.070   1.4960 2.644000 1.638000 
1 1 1   34   16   14 o   10.970   1.1400   11.920   0.9192   10.010   2.0860 1.912000 2.279000 
1 1 1   34   16   15 o   5.9200   1.2370   7.8990   1.6120   3.9410   1.8770 3.957000 2.474000 
1 1 1   34   16   16 o   6.6310   1.4920   6.5860   1.8120   6.6750   2.3710 -0.8945000E-01 2.984000 
1 1 1   34   16   17 o   4.3170   1.3270   4.1140   1.6910   4.5210   2.0470 -0.4075000 2.655000 
1 1 1   34   16   18 o   5.8570   1.3220   7.1690   1.6530   4.5440   2.0630 2.625000 2.643000 
1 1 1   34   16   19 o   3.7240   1.2770   3.0160   1.4510   4.4320   2.1010 -1.416000 2.553000 
1 1 1   34   16   20 o   4.6920   1.4910   2.5410   1.2690   6.8440   2.6980 -4.303000 2.981000 
1 1 1   34   16   21 o   4.8640   1.4790   3.8970   1.7100   5.8320   2.4150 -1.935000 2.958000 
1 1 1   34   16   22 o   4.5310   1.3950   4.0440   1.7460   5.0190   2.1760 -0.9751000 2.790000 
1 1 1   34   16   23 o   3.1480   1.0930   2.8860   1.4050   3.4100   1.6760 -0.5234000 2.187000 
1 1 1   34   16   24 o   3.8810   1.3450   3.8700   1.8610   3.8910   1.9420 -0.2078000E-01 2.690000 
1 1 1   34   16   25 o   3.6060   1.2540   3.4250   1.6310   3.7860   1.9040 -0.3614000 2.507000 
1 1 1   34   16   26 o   3.0070   1.0280   3.3940   1.5790   2.6210   1.3150 0.7731000 2.055000 
1 1 1   34   18    0 o   13.270   0.6407   12.730   0.9065   13.810   0.9057 -1.086000 1.281000 
1 1 1   34   18    1 o   4.4490   1.2230   3.6940   1.6060   5.2040   1.8440 -1.511000 2.445000 
1 1 1   34   18    2 o   9.0290   0.9222   9.4640   1.1830   8.5940   1.4150 0.8693000 1.844000 
1 1 1   34   18    3 o   23.320   0.3721   23.060   0.5113   23.580   0.5407 -0.5229000 0.7441000 
1 1 1   34   18    4 o   23.700   0.3712   23.800   0.5003   23.600   0.5485 0.1996000 0.7424000 
1 1 1   34   18    5 o   10.420   0.7315   10.350   0.9871   10.480   1.0800 -0.1312000 1.463000 
1 1 1   34   18    6 o   13.700   0.5738   14.030   0.7425   13.380   0.8750 0.6485000 1.148000 
1 1 1   34   18    7 o   5.8530   1.2770   6.4100   1.6200   5.2960   1.9740 1.114000 2.553000 
1 1 1   34   18    8 o   14.460   0.6945   14.090   0.9612   14.820   1.0030 -0.7272000 1.389000 
1 1 1   34   18    9 o   12.770   0.6165   12.730   0.8159   12.810   0.9245 -0.7813000E-01 1.233000 
1 1 1   34   18   10 o   8.9250   0.9239   9.7740   1.0920   8.0770   1.4910 1.696000 1.848000 
1 1 1   34   18   11 o   8.3710   0.9999   8.9860   1.2240   7.7560   1.5810 1.230000 2.000000 
1 1 1   34   18   12 o   7.2700   1.1260   6.4790   1.6500   8.0610   1.5320 -1.583000 2.251000 
1 1 1   34   18   13 o   4.6780   1.2460   5.0010   1.7480   4.3540   1.7760 0.6472000 2.492000 
1 1 1   34   18   14 o   15.120   0.7388   16.650   0.9073   13.590   1.1660 3.064000 1.478000 
1 1 1   34   18   15 o   8.2640   1.0830   7.7630   1.5300   8.7650   1.5330 -1.002000 2.166000 
1 1 1   34   18   16 o   3.3270   1.0850   2.6840   1.3100   3.9690   1.7310 -1.285000 2.171000 
1 1 1   34   18   17 o   10.850   0.9092   11.250   1.1600   10.450   1.4000 0.8007000 1.818000 
1 1 1   34   18   18 o   3.7460   1.1880   4.2570   1.8030   3.2350   1.5470 1.022000 2.376000 
1 1 1   34   18   19 o   3.7150   1.1850   3.4960   1.6010   3.9330   1.7480 -0.4369000 2.370000 
1 1 1   34   18   20 f   4.3750   1.2790   5.0330   1.9150   3.7160   1.6960 1.317000 2.558000 
1 1 1   34   18   21 o   4.1100   1.2580   3.5910   1.6470   4.6300   1.9020 -1.039000 2.516000 
1 1 1   34   18   22 o   3.8790   1.2250   3.4280   1.5980   4.3300   1.8580 -0.9016000 2.451000 
1 1 1   34   18   23 o   4.0400   1.3320   4.9680   2.1610   3.1120   1.5560 1.856000 2.663000 
1 1 1   34   18   24 o   3.1130   1.0450   3.6310   1.6420   2.5950   1.2920 1.036000 2.090000 
1 1 1   34   18   25 o   2.2980   0.8228   2.0540   1.0480   2.5430   1.2680 -0.4885000 1.646000 
1 1 1   34   20    0 o   20.290   0.4090   20.670   0.5480   19.920   0.6073 0.7559000 0.8180000 
1 1 1   34   20    1 o   8.6670   0.9022   8.3230   1.2670   9.0110   1.2850 -0.6881000 1.804000 
1 1 1   34   20    2 o   14.160   0.5571   13.400   0.7913   14.930   0.7845 -1.529000 1.114000 
1 1 1   34   20    3 o   5.7270   1.1630   6.6430   1.5250   4.8100   1.7560 1.833000 2.326000 
1 1 1   34   20    4 o   6.2430   1.2760   5.9750   1.6480   6.5110   1.9480 -0.5355000 2.552000 
1 1 1   34   20    5 o   4.1630   1.2590   4.3350   1.7930   3.9900   1.7680 0.3448000 2.518000 
1 1 1   34   20    6 o   6.4470   1.3690   7.1450   1.8300   5.7490   2.0350 1.395000 2.737000 
1 1 1   34   20    7 o   11.530   0.7017   11.850   0.8901   11.210   1.0850 0.6368000 1.403000 
1 1 1   34   20    8 o   12.700   0.6488   12.220   0.8754   13.170   0.9579 -0.9506000 1.298000 
1 1 1   34   20    9 o   22.600   0.4205   22.740   0.5566   22.470   0.6306 0.2699000 0.8411000 
1 1 1   34   20   10 o   13.080   0.6679   13.680   0.8486   12.480   1.0320 1.195000 1.336000 
1 1 1   34   20   11 o   17.400   0.5212   17.760   0.6748   17.050   0.7945 0.7101000 1.042000 
1 1 1   34   20   12 o   16.200   0.6732   16.620   0.8653   15.780   1.0310 0.8398000 1.346000 
1 1 1   34   20   13 o   6.2560   1.3660   7.2330   1.8040   5.2790   2.0520 1.954000 2.732000 
1 1 1   34   20   14 o   10.220   0.9940   10.150   1.3500   10.280   1.4590 -0.1304000 1.988000 
1 1 1   34   20   15 o   10.190   1.0170   10.570   1.3080   9.8090   1.5580 0.7561000 2.034000 
1 1 1   34   20   16 o   3.6140   1.1550   4.0040   1.7240   3.2230   1.5370 0.7809000 2.310000 
1 1 1   34   20   17 o   5.5550   1.3700   5.4210   1.8730   5.6890   2.0000 -0.2680000 2.740000 
1 1 1   34   20   18 o   4.5570   1.2700   3.2770   1.5410   5.8360   2.0190 -2.559000 2.540000 
1 1 1   34   20   19 o   5.1710   1.1270   7.5550   1.7850   2.7860   1.3760 4.769000 2.254000 
1 1 1   34   20   20 o   3.8140   1.1950   4.1900   1.7720   3.4380   1.6040 0.7525000 2.390000 
1 1 1   34   20   21 o   3.5710   1.1940   2.9950   1.4750   4.1470   1.8770 -1.152000 2.387000 
1 1 1   34   20   22 o   2.7470   0.9728   2.2540   1.1510   3.2400   1.5680 -0.9863000 1.946000 
1 1 1   34   20   23 o   2.4900   0.8812   2.4800   1.2410   2.5000   1.2510 -0.2006000E-01 1.762000 
1 1 1   34   20   24 o   1.9250   0.7097   1.8210   0.9493   2.0280   1.0550 -0.2065000 1.419000 
1 1 1   34   22    0 f   10.790   0.8974   11.070   1.1890   10.510   1.3440 0.5600000 1.795000 
1 1 1   34   22    1 o   18.730   0.5601   18.910   0.7508   18.550   0.8314 0.3569000 1.120000 
1 1 1   34   22    2 o   11.560   0.8565   10.950   1.2010   12.170   1.2210 -1.219000 1.713000 
1 1 1   34   22    3 o   5.9680   1.2310   6.3400   1.6500   5.5960   1.8280 0.7441000 2.463000 
1 1 1   34   22    4 o   3.7790   1.1370   4.1250   1.6610   3.4330   1.5540 0.6921000 2.275000 
1 1 1   34   22    5 o   3.5410   1.0810   2.4530   1.2100   4.6290   1.7910 -2.175000 2.161000 
1 1 1   34   22    6 o   6.4790   1.2220   6.8590   1.6050   6.0980   1.8420 0.7618000 2.443000 
1 1 1   34   22    7 f   5.8110   1.2780   5.4430   1.7620   6.1790   1.8510 -0.7357000 2.555000 
1 1 1   34   22    8 o   3.9080   1.1700   4.2980   1.7070   3.5190   1.6010 0.7786000 2.340000 
1 1 1   34   22    9 o   12.560   0.6962   11.950   0.9704   13.170   0.9984 -1.222000 1.392000 
1 1 1   34   22   10 o   7.8750   1.2450   9.4540   1.3470   6.2970   2.0950 3.158000 2.490000 
1 1 1   34   22   11 o   4.7170   1.4130   4.4210   1.8940   5.0130   2.0970 -0.5926000 2.825000 
1 1 1   34   22   12 o   4.7890   1.3610   4.6250   1.8820   4.9530   1.9660 -0.3281000 2.721000 
1 1 1   34   22   13 o   17.220   0.6103   17.620   0.7545   16.830   0.9596 0.7950000 1.221000 
1 1 1   34   22   14 o   6.5980   1.3380   6.2040   1.8710   6.9930   1.9120 -0.7891000 2.675000 
1 1 1   34   22   15 o   6.3240   1.3100   7.5570   1.7450   5.0900   1.9540 2.467000 2.620000 
1 1 1   34   22   16 o   3.8960   1.2110   4.4010   1.8260   3.3920   1.5910 1.009000 2.422000 
1 1 1   34   22   17 o   3.7610   1.1800   4.4850   1.8460   3.0370   1.4720 1.448000 2.361000 
1 1 1   34   22   18 o   2.9650   1.0140   3.2470   1.5300   2.6840   1.3310 0.5624000 2.028000 
1 1 1   34   22   19 o   2.8590   0.9988   3.2420   1.5550   2.4760   1.2550 0.7658000 1.998000 
1 1 1   34   22   20 o   3.0470   1.0580   3.0560   1.4960   3.0380   1.4950 0.1866000E-01 2.115000 
1 1 1   34   22   21 o   2.1290   0.7723   2.0530   1.0550   2.2060   1.1280 -0.1529000 1.545000 
1 1 1   34   22   22 o   2.1710   0.7970   2.0340   1.0520   2.3090   1.1970 -0.2751000 1.594000 
1 1 1   34   24    0 o   3.0290   1.0130   3.2740   1.5020   2.7850   1.3590 0.4887000 2.026000 
1 1 1   34   24    1 o   5.3280   1.2930   4.9550   1.7680   5.7010   1.8880 -0.7459000 2.587000 
1 1 1   34   24    2 o   4.5670   1.1990   3.2240   1.4900   5.9090   1.8800 -2.686000 2.399000 
1 1 1   34   24    3 o   7.1040   1.1780   7.9700   1.4640   6.2380   1.8450 1.732000 2.356000 
1 1 1   34   24    4 o   8.7840   0.9886   8.4340   1.3810   9.1350   1.4150 -0.7016000 1.977000 
1 1 1   34   24    5 o   6.4980   1.2200   7.4460   1.5520   5.5500   1.8820 1.897000 2.440000 
1 1 1   34   24    6 o   7.1370   1.2620   5.3550   1.9400   8.9190   1.6140 -3.564000 2.524000 
1 1 1   34   24    7 o   14.910   0.8151   15.800   1.0270   14.030   1.2660 1.771000 1.630000 
1 1 1   34   24    8 o   5.8130   1.4130   7.1620   2.0480   4.4640   1.9470 2.698000 2.826000 
1 1 1   34   24    9 o   4.9430   1.3280   5.1040   1.8520   4.7820   1.9040 0.3226000 2.656000 
1 1 1   34   24   10 o   4.3490   1.2650   4.0960   1.7350   4.6020   1.8430 -0.5059000 2.531000 
1 1 1   34   24   11 o   10.260   0.9283   11.050   1.1600   9.4670   1.4490 1.587000 1.857000 
1 1 1   34   24   12 o   5.8940   1.3560   6.3430   1.8770   5.4450   1.9570 0.8984000 2.711000 
1 1 1   34   24   13 o   4.9700   1.3560   5.3370   1.9400   4.6040   1.8940 0.7336000 2.711000 
1 1 1   34   24   14 o   3.4090   1.1270   3.4790   1.6140   3.3400   1.5740 0.1390000 2.254000 
1 1 1   34   24   15 o   3.3530   1.1100   3.7420   1.6860   2.9630   1.4450 0.7791000 2.221000 
1 1 1   34   24   16 o   3.6100   1.2000   3.5280   1.6670   3.6910   1.7250 -0.1632000 2.399000 
1 1 1   34   24   17 o   3.2640   1.1110   3.1520   1.5230   3.3760   1.6180 -0.2237000 2.222000 
1 1 1   34   24   18 o   3.4570   1.1500   3.1740   1.5100   3.7390   1.7340 -0.5644000 2.300000 
1 1 1   34   24   19 o   2.3610   0.8493   2.2150   1.1320   2.5060   1.2670 -0.2913000 1.699000 
1 1 1   34   26    0 o   5.6930   1.3290   7.0470   1.9050   4.3390   1.8530 2.708000 2.658000 
1 1 1   34   26    1 o   5.3270   1.4440   5.6770   1.9670   4.9770   2.1140 0.7007000 2.888000 
1 1 1   34   26    2 o   9.7920   1.1640   11.820   1.2000   7.7610   1.9940 4.060000 2.328000 
1 1 1   34   26    3 o   3.9150   1.2410   3.4050   1.5940   4.4260   1.9020 -1.021000 2.481000 
1 1 1   34   26    4 o   4.7250   1.3100   5.7010   1.9680   3.7480   1.7280 1.953000 2.619000 
1 1 1   34   26    5 o   3.8180   1.1860   3.7710   1.6520   3.8650   1.7020 -0.9386000E-01 2.372000 
1 1 1   34   26    6 o   3.3800   1.1050   3.1360   1.4820   3.6240   1.6390 -0.4878000 2.210000 
1 1 1   34   26    7 o   3.2640   1.0750   3.6730   1.6410   2.8550   1.3900 0.8184000 2.151000 
1 1 1   34   26    8 f   3.3190   1.0840   3.8030   1.6680   2.8340   1.3850 0.9691000 2.168000 
1 1 1   34   26    9 o   4.7710   1.3130   4.5360   1.8100   5.0060   1.9020 -0.4708000 2.625000 
1 1 1   34   26   10 o   4.4760   1.2930   4.5530   1.8170   4.3990   1.8400 0.1535000 2.586000 
1 1 1   34   26   11 o   3.4600   1.1310   2.8980   1.4100   4.0230   1.7680 -1.124000 2.261000 
1 1 1   34   26   12 o   3.5030   1.1710   3.7830   1.7450   3.2230   1.5620 0.5594000 2.342000 
1 1 1   34   26   13 o   2.8780   1.0100   3.0390   1.4940   2.7180   1.3580 0.3210000 2.020000 
1 1 1   34   26   14 o   2.9910   1.0400   3.0770   1.5030   2.9040   1.4380 0.1733000 2.080000 
1 1 1   34   26   15 o   2.3670   0.8433   2.5590   1.2720   2.1750   1.1080 0.3840000 1.687000 
1 1 1   34   26   16 o   2.3660   0.8458   2.4780   1.2390   2.2530   1.1520 0.2247000 1.692000 
1 1 1   34   26   17 o   2.1090   0.7728   2.0750   1.0720   2.1420   1.1130 -0.6699000E-01 1.546000 
1 1 1   34   28    0 o   4.9030   1.3150   5.1140   1.8440   4.6920   1.8750 0.4214000 2.630000 
1 1 1   34   28    1 o   7.3900   1.2500   7.1810   1.7300   7.5980   1.8040 -0.4169000 2.499000 
1 1 1   34   28    2 o   3.3540   1.1020   3.1480   1.4860   3.5600   1.6290 -0.4121000 2.205000 
1 1 1   34   28    3 f   6.6670   1.3340   6.4520   1.8570   6.8830   1.9160 -0.4313000 2.668000 
1 1 1   34   28    4 o   3.7890   1.2010   3.6640   1.6540   3.9130   1.7400 -0.2490000 2.401000 
1 1 1   34   28    5 o   3.3450   1.1080   3.0640   1.4670   3.6260   1.6610 -0.5616000 2.216000 
1 1 1   34   28    6 o   3.5700   1.1540   3.8430   1.6990   3.2960   1.5610 0.5473000 2.307000 
1 1 1   34   28    7 o   5.2680   1.4320   5.1960   1.9940   5.3400   2.0560 -0.1442000 2.864000 
1 1 1   34   28    8 o   3.3830   1.1400   3.4400   1.6280   3.3260   1.5970 0.1138000 2.281000 
1 1 1   34   28    9 o   3.3840   1.1390   3.4580   1.6360   3.3100   1.5840 0.1485000 2.278000 
1 1 1   34   28   10 o   2.6290   0.9201   2.8180   1.3750   2.4400   1.2230 0.3782000 1.840000 
1 1 1   34   28   11 o   3.1330   1.0500   3.4160   1.5750   2.8500   1.3880 0.5663000 2.099000 
1 1 1   34   28   12 o   2.6920   0.9382   2.5650   1.2750   2.8200   1.3770 -0.2551000 1.876000 
1 1 1   34   28   13 o   2.8540   0.9760   3.3870   1.5610   2.3210   1.1710 1.066000 1.952000 
1 1 1   34   30    0 o   3.3130   1.1090   3.4520   1.6080   3.1750   1.5270 0.2777000 2.217000 
1 1 1   34   30    1 o   3.0480   1.0460   3.0780   1.4850   3.0180   1.4740 0.5943000E-01 2.092000 
1 1 1   34   30    2 f   3.6160   1.1680   4.4060   1.8720   2.8270   1.3970 1.580000 2.336000 
1 1 1   34   30    3 o   3.4890   1.1140   4.1700   1.7550   2.8090   1.3710 1.361000 2.227000 
1 1 1   34   30    4 o   3.3470   1.0840   4.0930   1.7430   2.6000   1.2890 1.493000 2.168000 
1 1 1   34   30    5 o   4.2050   1.2530   3.9600   1.7250   4.4500   1.8170 -0.4906000 2.506000 
1 1 1   34   30    6 o   2.3660   0.8406   2.4530   1.2260   2.2780   1.1510 0.1749000 1.681000 
1 1 1   34   30    7 o   2.8560   0.9777   2.5400   1.2590   3.1720   1.4960 -0.6319000 1.955000 
1 1 1   34   30    8 o   2.8640   0.9784   2.6710   1.3120   3.0560   1.4520 -0.3846000 1.957000 
1 1 1   34   30    9 o   2.1500   0.7885   2.2260   1.1530   2.0740   1.0760 0.1523000 1.577000 
1 1 1   35    1    0 o   26.680   0.2777   25.970   0.3534   27.390   0.4286 -1.416000 0.5555000 
1 1 1   35    1    1 o   44.560   0.3096   44.860   0.4404   44.260   0.4352 0.6026000 0.6192000 
1 1 1   35    1    2 o   56.420   0.3738   56.500   0.5299   56.330   0.5273 0.1693000 0.7475000 
1 1 1   35    1    3 o   59.030   0.4518   59.080   0.6407   58.970   0.6372 0.1047000 0.9035000 
1 1 1   35    1    4 o   33.260   0.3348   33.040   0.4770   33.480   0.4700 -0.4377000 0.6697000 
1 1 1   35    1    5 f   4.7930   1.2120   4.2700   1.6560   5.3160   1.7700 -1.046000 2.424000 
1 1 1   35    1    6 f   34.200   0.3234   34.030   0.4256   34.360   0.4871 -0.3240000 0.6468000 
1 1 1   35    1    7 o   38.020   0.3162   38.000   0.4466   38.040   0.4477 -0.4315000E-01 0.6324000 
1 1 1   35    1    8 o   44.610   0.3406   44.500   0.4812   44.710   0.4822 -0.2098000 0.6812000 
1 1 1   35    1    9 o   26.980   0.3334   26.410   0.4727   27.550   0.4704 -1.138000 0.6669000 
1 1 1   35    1   10 o   14.460   0.5303   15.080   0.7173   13.840   0.7813 1.236000 1.061000 
1 1 1   35    1   11 o   12.480   0.6132   13.530   0.7877   11.420   0.9401 2.106000 1.226000 
1 1 1   35    1   12 o   10.640   0.7399   9.6660   1.1250   11.610   0.9615 -1.944000 1.480000 
1 1 1   35    1   13 o   31.220   0.3815   30.990   0.5214   31.450   0.5570 -0.4550000 0.7629000 
1 1 1   35    1   14 o   24.980   0.4812   25.180   0.6805   24.780   0.6806 0.3997000 0.9624000 
1 1 1   35    1   15 o   19.000   0.4260   18.860   0.5996   19.130   0.6052 -0.2717000 0.8519000 
1 1 1   35    1   16 o   12.830   0.5866   12.170   0.8594   13.500   0.7986 -1.326000 1.173000 
1 1 1   35    1   17 o   6.3590   1.1150   6.4760   1.5450   6.2410   1.6080 0.2342000 2.230000 
1 1 1   35    1   18 o   5.3910   1.3200   5.0760   1.9080   5.7050   1.8250 -0.6289000 2.641000 
1 1 1   35    1   19 o   6.6680   1.5000   6.0620   2.0790   7.2750   2.1620 -1.213000 2.999000 
1 1 1   35    1   20 o   6.0950   1.1750   6.0200   1.6080   6.1700   1.7130 -0.1505000 2.349000 
1 1 1   35    1   21 o   3.2340   1.0390   3.0120   1.4030   3.4550   1.5320 -0.4425000 2.078000 
1 1 1   35    1   22 o   3.1610   1.0330   3.0850   1.4310   3.2370   1.4900 -0.1522000 2.066000 
1 1 1   35    1   23 o   5.4890   1.3000   5.4960   1.7610   5.4820   1.9140 0.1418000E-01 2.601000 
1 1 1   35    1   24 o   4.6800   1.3120   3.4600   1.5570   5.9000   2.1120 -2.440000 2.624000 
1 1 1   35    1   25 o   8.4330   1.2780   9.6500   1.3300   7.2160   2.1840 2.435000 2.557000 
1 1 1   35    1   26 o   3.3540   1.1540   3.3770   1.6000   3.3310   1.6620 0.4664000E-01 2.307000 
1 1 1   35    1   27 o   6.1630   1.6590   5.8080   2.1290   6.5180   2.5460 -0.7106000 3.319000 
1 1 1   35    1   28 o   4.7020   1.3340   2.7240   1.3460   6.6800   2.3040 -3.956000 2.668000 
1 1 1   35    1   29 o   3.1210   1.0760   3.1170   1.4920   3.1260   1.5520 -0.9125000E-02 2.153000 
1 1 1   35    1   30 o   2.7300   0.9734   2.5370   1.2810   2.9230   1.4660 -0.3858000 1.947000 
1 1 1   35    1   31 o   2.6210   0.9541   2.3390   1.2010   2.9030   1.4830 -0.5634000 1.908000 
1 1 1   35    3    0 o   72.470   0.5372   72.360   0.7582   72.570   0.7611 -0.2073000 1.074000 
1 1 1   35    3    1 o   49.470   0.4316   49.520   0.6723   49.430   0.5416 0.9026000E-01 0.8633000 
1 1 1   35    3    2 o   53.280   0.4622   52.210   0.7108   54.360   0.5909 -2.151000 0.9243000 
1 1 1   35    3    3 o   79.290   0.5097   79.340   0.7213   79.240   0.7205 0.9631000E-01 1.019000 
1 1 1   35    3    4 o   27.790   0.2888   27.700   0.4085   27.880   0.4085 -0.1752000 0.5777000 
1 1 1   35    3    5 o   9.1640   0.9452   10.930   0.9738   7.3980   1.6200 3.532000 1.890000 
1 1 1   35    3    6 o   51.210   0.4754   51.290   0.5921   51.130   0.7439 0.1650000 0.9508000 
1 1 1   35    3    7 o   25.710   0.3771   25.820   0.4519   25.600   0.6037 0.2225000 0.7541000 
1 1 1   35    3    8 o   11.780   0.6734   11.380   0.8646   12.170   1.0330 -0.7899000 1.347000 
1 1 1   35    3    9 f   42.930   0.4319   42.330   0.5577   43.540   0.6597 -1.212000 0.8638000 
1 1 1   35    3   10 o   10.460   0.8551   11.110   0.9562   9.8080   1.4180 1.299000 1.710000 
1 1 1   35    3   11 o   24.310   0.4248   24.490   0.5092   24.120   0.6800 0.3664000 0.8495000 
1 1 1   35    3   12 o   15.590   0.5817   15.590   0.7459   15.580   0.8929 0.2389000E-02 1.163000 
1 1 1   35    3   13 o   26.040   0.4274   25.950   0.5441   26.140   0.6593 -0.1864000 0.8548000 
1 1 1   35    3   14 o   12.000   0.9023   13.320   0.9602   10.680   1.5280 2.639000 1.805000 
1 1 1   35    3   15 o   24.690   0.4247   25.470   0.5056   23.910   0.6825 1.561000 0.8494000 
1 1 1   35    3   16 o   9.7860   0.8932   9.1710   1.1680   10.400   1.3520 -1.230000 1.786000 
1 1 1   35    3   17 o   3.6030   1.1350   3.2540   1.4610   3.9530   1.7370 -0.6999000 2.270000 
1 1 1   35    3   18 o   5.3140   1.3630   5.3410   1.8970   5.2860   1.9570 0.5513000E-01 2.726000 
1 1 1   35    3   19 o   5.7770   1.5500   5.1680   1.7910   6.3860   2.5300 -1.218000 3.100000 
1 1 1   35    3   20 o   3.1620   1.0430   3.2780   1.4730   3.0450   1.4770 0.2331000 2.086000 
1 1 1   35    3   21 o   7.9770   1.1640   9.1490   1.1460   6.8050   2.0260 2.344000 2.328000 
1 1 1   35    3   22 o   6.0570   1.3360   5.7050   1.7310   6.4100   2.0350 -0.7055000 2.672000 
1 1 1   35    3   23 f   9.1330   1.0830   9.4210   1.2080   8.8450   1.7980 0.5756000 2.167000 
1 1 1   35    3   24 o   9.3270   1.1680   10.600   1.1180   8.0530   2.0510 2.547000 2.336000 
1 1 1   35    3   25 o   5.8000   1.4130   6.2340   1.8500   5.3650   2.1370 0.8688000 2.826000 
1 1 1   35    3   26 o   6.1920   1.5050   6.5530   2.0160   5.8310   2.2360 0.7219000 3.011000 
1 1 1   35    3   27 o   4.9080   1.5080   4.9740   2.0300   4.8430   2.2310 0.1310000 3.016000 
1 1 1   35    3   28 o   4.2580   1.3220   4.5250   1.8680   3.9910   1.8720 0.5341000 2.645000 
1 1 1   35    3   29 o   2.9570   1.0330   2.4860   1.2480   3.4270   1.6460 -0.9415000 2.065000 
1 1 1   35    3   30 o   2.7850   0.9926   2.4920   1.2640   3.0780   1.5310 -0.5853000 1.985000 
1 1 1   35    5    0 o   74.690   0.7520   74.770   0.6783   74.610   1.3420 0.1627000 1.504000 
1 1 1   35    5    1 o   35.670   0.4400   36.190   0.5527   35.160   0.6849 1.027000 0.8801000 
1 1 1   35    5    2 o   55.520   0.4489   55.060   0.5238   55.980   0.7291 -0.9186000 0.8977000 
1 1 1   35    5    3 o   37.220   0.3419   37.550   0.4194   36.890   0.5400 0.6602000 0.6837000 
1 1 1   35    5    4 o   49.090   0.4155   48.560   0.4880   49.630   0.6727 -1.069000 0.8310000 
1 1 1   35    5    5 o   51.500   0.5842   51.100   0.5902   51.900   1.0080 -0.7945000 1.168000 
1 1 1   35    5    6 o   28.590   0.5270   30.330   0.5713   26.840   0.8858 3.489000 1.054000 
1 1 1   35    5    7 o   36.780   0.3728   36.830   0.4454   36.740   0.5981 0.9042000E-01 0.7457000 
1 1 1   35    5    8 o   13.120   0.5751   13.620   0.7554   12.610   0.8674 1.013000 1.150000 
1 1 1   35    5    9 o   10.620   0.7190   10.950   0.9705   10.300   1.0610 0.6594000 1.438000 
1 1 1   35    5   10 o   35.540   0.3360   35.900   0.4720   35.180   0.4785 0.7239000 0.6721000 
1 1 1   35    5   11 o   20.970   0.4368   21.260   0.5923   20.670   0.6420 0.5843000 0.8735000 
1 1 1   35    5   12 o   8.6330   1.0080   9.1900   1.2750   8.0770   1.5610 1.114000 2.015000 
1 1 1   35    5   13 f   12.170   0.6432   12.320   0.8817   12.010   0.9367 0.3158000 1.286000 
1 1 1   35    5   14 o   28.030   0.4026   27.280   0.5885   28.780   0.5496 -1.507000 0.8052000 
1 1 1   35    5   15 o   12.820   0.5921   12.480   0.8480   13.170   0.8265 -0.6851000 1.184000 
1 1 1   35    5   16 o   12.370   0.6215   13.610   0.7755   11.130   0.9714 2.483000 1.243000 
1 1 1   35    5   17 o   9.2280   0.9663   10.220   1.2510   8.2310   1.4730 1.993000 1.933000 
1 1 1   35    5   18 o   3.6650   1.1110   3.7750   1.5850   3.5550   1.5570 0.2201000 2.221000 
1 1 1   35    5   19 o   4.2660   1.2540   4.2340   1.7100   4.2990   1.8340 -0.6441000E-01 2.508000 
1 1 1   35    5   20 o   12.230   0.6329   11.810   0.8942   12.650   0.8959 -0.8419000 1.266000 
1 1 1   35    5   21 o   3.7750   1.1070   2.8260   1.3420   4.7250   1.7600 -1.899000 2.213000 
1 1 1   35    5   22 o   7.7560   1.0480   8.2080   1.3450   7.3040   1.6080 0.9043000 2.096000 
1 1 1   35    5   23 o   6.5810   1.1570   4.7690   1.7760   8.3940   1.4830 -3.626000 2.314000 
1 1 1   35    5   24 o   4.5100   1.2720   4.5140   1.7790   4.5050   1.8190 0.8969000E-02 2.544000 
1 1 1   35    5   25 o   7.1440   1.2740   5.0660   1.8930   9.2210   1.7060 -4.155000 2.549000 
1 1 1   35    5   26 o   4.0340   1.2490   3.1990   1.5380   4.8690   1.9700 -1.670000 2.499000 
1 1 1   35    5   27 o   3.9330   1.2260   2.7550   1.3760   5.1100   2.0310 -2.355000 2.453000 
1 1 1   35    5   28 o   3.7670   1.2020   4.1020   1.7780   3.4320   1.6180 0.6696000 2.404000 
1 1 1   35    5   29 f   2.5260   0.8948   2.3450   1.1870   2.7080   1.3390 -0.3638000 1.790000 
1 1 1   35    5   30 o   2.8230   0.9943   3.0720   1.5090   2.5730   1.2950 0.4995000 1.989000 
1 1 1   35    7    0 o   67.800   0.5133   67.530   0.7213   68.080   0.7305 -0.5553000 1.027000 
1 1 1   35    7    1 o   46.130   0.3265   46.690   0.4622   45.570   0.4612 1.118000 0.6529000 
1 1 1   35    7    2 o   38.050   0.2984   37.810   0.4161   38.300   0.4278 -0.4887000 0.5968000 
1 1 1   35    7    3 o   46.320   0.3376   46.170   0.4744   46.480   0.4805 -0.3135000 0.6752000 
1 1 1   35    7    4 o   49.850   0.3571   49.810   0.5016   49.890   0.5084 -0.7714000E-01 0.7142000 
1 1 1   35    7    5 o   73.650   0.5618   73.480   0.7899   73.820   0.7991 -0.3400000 1.124000 
1 1 1   35    7    6 o   33.440   0.4058   33.990   0.5763   32.880   0.5715 1.115000 0.8117000 
1 1 1   35    7    7 o   10.730   0.6628   10.560   0.9209   10.890   0.9536 -0.3267000 1.326000 
1 1 1   35    7    8 f   13.900   0.5470   13.790   0.7595   14.010   0.7875 -0.2151000 1.094000 
1 1 1   35    7    9 o   22.970   0.3718   22.880   0.5177   23.060   0.5339 -0.1830000 0.7437000 
1 1 1   35    7   10 o   14.850   0.5762   13.890   0.8252   15.810   0.8044 -1.923000 1.152000 
1 1 1   35    7   11 o   20.850   0.4281   20.550   0.5732   21.160   0.6360 -0.6136000 0.8562000 
1 1 1   35    7   12 o   8.1780   0.9454   8.1340   1.3310   8.2210   1.3430 -0.8684000E-01 1.891000 
1 1 1   35    7   13 o   31.360   0.3353   31.360   0.4707   31.360   0.4776 0.1303000E-02 0.6706000 
1 1 1   35    7   14 o   4.6760   1.2950   4.8260   1.8760   4.5250   1.7840 0.3015000 2.589000 
1 1 1   35    7   15 o   13.620   0.5625   13.060   0.8158   14.190   0.7745 -1.127000 1.125000 
1 1 1   35    7   16 o   5.8510   1.2790   5.1180   1.8520   6.5840   1.7650 -1.465000 2.558000 
1 1 1   35    7   17 o   14.070   0.5533   14.580   0.7313   13.560   0.8304 1.021000 1.107000 
1 1 1   35    7   18 o   3.8170   1.1250   4.2070   1.6480   3.4280   1.5330 0.7789000 2.251000 
1 1 1   35    7   19 o   4.3600   1.2640   4.4980   1.7560   4.2230   1.8180 0.2748000 2.527000 
1 1 1   35    7   20 o   5.1090   1.1830   6.0320   1.6540   4.1850   1.6910 1.847000 2.365000 
1 1 1   35    7   21 o   3.8620   1.1150   4.6750   1.7090   3.0490   1.4320 1.626000 2.229000 
1 1 1   35    7   22 o   3.7430   1.1450   3.1260   1.4570   4.3600   1.7670 -1.234000 2.290000 
1 1 1   35    7   23 o   4.0460   1.1540   2.8060   1.3510   5.2860   1.8710 -2.479000 2.308000 
1 1 1   35    7   24 o   5.3480   1.2990   4.6120   1.7760   6.0850   1.8960 -1.473000 2.598000 
1 1 1   35    7   25 o   4.4000   1.2960   5.2720   1.9880   3.5280   1.6650 1.745000 2.593000 
1 1 1   35    7   26 f   4.6640   1.3150   3.3370   1.5950   5.9910   2.0920 -2.654000 2.631000 
1 1 1   35    7   27 f   3.5050   1.1750   3.8210   1.7640   3.1890   1.5510 0.6316000 2.349000 
1 1 1   35    7   28 o   5.6230   1.3550   4.6580   1.8840   6.5870   1.9480 -1.929000 2.710000 
1 1 1   35    7   29 o   4.3270   1.3460   4.3730   1.9200   4.2800   1.8860 0.9282000E-01 2.692000 
1 1 1   35    7   30 o   2.3240   0.8358   2.3900   1.2110   2.2590   1.1520 0.1309000 1.672000 
1 1 1   35    9    0 o   20.190   0.3940   21.700   0.5748   18.670   0.5389 3.033000 0.7879000 
1 1 1   35    9    1 o   56.880   0.3878   57.270   0.5458   56.500   0.5511 0.7627000 0.7756000 
1 1 1   35    9    2 o   9.0350   0.6867   9.0650   0.8777   9.0060   1.0560 0.5951000E-01 1.373000 
1 1 1   35    9    3 o   33.540   0.3083   33.820   0.4190   33.260   0.4524 0.5619000 0.6166000 
1 1 1   35    9    4 o   21.010   0.4435   21.730   0.5550   20.290   0.6919 1.442000 0.8870000 
1 1 1   35    9    5 o   9.8100   0.9147   8.9960   1.2710   10.620   1.3160 -1.628000 1.829000 
1 1 1   35    9    6 o   38.240   0.3335   37.780   0.4671   38.710   0.4762 -0.9349000 0.6671000 
1 1 1   35    9    7 o   28.790   0.3372   28.350   0.4713   29.230   0.4823 -0.8795000 0.6744000 
1 1 1   35    9    8 f   30.190   0.3680   29.900   0.5023   30.470   0.5379 -0.5662000 0.7359000 
1 1 1   35    9    9 o   34.260   0.3687   33.950   0.5083   34.570   0.5343 -0.6242000 0.7374000 
1 1 1   35    9   10 o   28.100   0.3516   28.190   0.4949   28.010   0.4994 0.1729000 0.7031000 
1 1 1   35    9   11 o   21.290   0.3973   21.850   0.5438   20.730   0.5793 1.118000 0.7945000 
1 1 1   35    9   12 o   15.580   0.4916   15.740   0.6683   15.410   0.7212 0.3351000 0.9832000 
1 1 1   35    9   13 o   10.860   0.8602   10.630   1.2950   11.090   1.1320 -0.4669000 1.720000 
1 1 1   35    9   14 o   13.100   0.8972   12.910   1.4310   13.300   1.0830 -0.3869000 1.794000 
1 1 1   35    9   15 o   12.190   0.7511   13.930   0.8909   10.450   1.2100 3.473000 1.502000 
1 1 1   35    9   16 o   20.840   0.4025   20.310   0.5642   21.370   0.5741 -1.062000 0.8050000 
1 1 1   35    9   17 o   18.030   0.4406   18.200   0.5992   17.860   0.6460 0.3462000 0.8811000 
1 1 1   35    9   18 o   6.2480   1.2510   7.6120   1.5950   4.8840   1.9270 2.728000 2.502000 
1 1 1   35    9   19 f   2.9230   1.0010   2.6660   1.2990   3.1800   1.5240 -0.5143000 2.003000 
1 1 1   35    9   20 o   4.3880   1.1810   4.8830   1.6970   3.8930   1.6440 0.9903000 2.362000 
1 1 1   35    9   21 o   4.4490   1.1890   5.1970   1.7320   3.7010   1.6300 1.496000 2.378000 
1 1 1   35    9   22 o   4.5540   1.2430   4.8720   1.7520   4.2370   1.7640 0.6350000 2.486000 
1 1 1   35    9   23 o   4.5960   1.2380   3.5020   1.5690   5.6900   1.9150 -2.188000 2.476000 
1 1 1   35    9   24 o   3.4670   1.1480   3.1290   1.4980   3.8060   1.7410 -0.6772000 2.297000 
1 1 1   35    9   25 o   3.4670   1.1180   2.5260   1.2570   4.4080   1.8500 -1.882000 2.236000 
1 1 1   35    9   26 o   3.5000   1.1730   3.3850   1.6170   3.6140   1.6990 -0.2289000 2.345000 
1 1 1   35    9   27 f   3.7870   1.2060   3.4490   1.6000   4.1260   1.8050 -0.6777000 2.412000 
1 1 1   35    9   28 o   2.8820   1.0140   2.8270   1.4130   2.9370   1.4550 -0.1104000 2.028000 
1 1 1   35    9   29 o   2.9710   1.0200   2.9730   1.4440   2.9700   1.4390 0.2800000E-02 2.039000 
1 1 1   35   11    0 f   22.700   0.5627   25.700   0.7566   19.710   0.8331 5.989000 1.125000 
1 1 1   35   11    1 o   27.540   0.3265   27.490   0.4454   27.580   0.4776 -0.8704000E-01 0.6531000 
1 1 1   35   11    2 o   28.550   0.3418   28.150   0.4482   28.950   0.5162 -0.8008000 0.6836000 
1 1 1   35   11    3 o   51.060   0.4326   51.360   0.6002   50.750   0.6230 0.6098000 0.8651000 
1 1 1   35   11    4 o   42.670   0.4709   41.860   0.6327   43.480   0.6977 -1.628000 0.9419000 
1 1 1   35   11    5 o   13.920   0.5775   13.330   0.7893   14.520   0.8432 -1.186000 1.155000 
1 1 1   35   11    6 o   28.690   0.3711   28.400   0.5082   28.980   0.5409 -0.5761000 0.7422000 
1 1 1   35   11    7 o   24.680   0.3642   24.060   0.5015   25.300   0.5283 -1.237000 0.7284000 
1 1 1   35   11    8 o   14.660   0.5422   14.920   0.7168   14.400   0.8138 0.5245000 1.084000 
1 1 1   35   11    9 o   47.630   0.3675   47.010   0.5148   48.260   0.5246 -1.248000 0.7350000 
1 1 1   35   11   10 o   14.650   0.5391   15.050   0.7094   14.240   0.8119 0.8073000 1.078000 
1 1 1   35   11   11 o   11.980   0.6366   12.240   0.8509   11.720   0.9472 0.5219000 1.273000 
1 1 1   35   11   12 o   17.780   0.4566   17.200   0.6391   18.370   0.6522 -1.168000 0.9131000 
1 1 1   35   11   13 o   5.4950   2.1720   5.4950   2.1720  ?   ?       ?      ? 
1 1 1   35   11   14 o   9.6310   0.7964   9.0250   1.1700   10.240   1.0800 -1.212000 1.593000 
1 1 1   35   11   15 o   10.470   0.7198   9.4980   1.0590   11.450   0.9749 -1.952000 1.440000 
1 1 1   35   11   16 o   3.0840   1.0050   2.5950   1.2530   3.5740   1.5720 -0.9791000 2.010000 
1 1 1   35   11   17 o   3.2620   1.0460   3.3480   1.4880   3.1760   1.4700 0.1721000 2.091000 
1 1 1   35   11   18 o   7.4520   1.2670   7.1010   1.6920   7.8020   1.8860 -0.7014000 2.534000 
1 1 1   35   11   19 f   6.7370   1.1620   6.6880   1.5980   6.7860   1.6860 -0.9807000E-01 2.324000 
1 1 1   35   11   20 o   6.3820   1.0770   8.6060   1.2950   4.1570   1.7220 4.450000 2.155000 
1 1 1   35   11   21 o   5.5600   1.2750   5.3320   1.7830   5.7880   1.8230 -0.4559000 2.550000 
1 1 1   35   11   22 o   3.3740   1.0950   3.5880   1.5970   3.1600   1.4980 0.4279000 2.190000 
1 1 1   35   11   23 o   3.0700   1.0450   3.3320   1.5630   2.8080   1.3880 0.5234000 2.091000 
1 1 1   35   11   24 o   3.2390   1.0790   3.0790   1.4620   3.3990   1.5890 -0.3203000 2.159000 
1 1 1   35   11   25 o   4.9840   1.3280   4.1190   1.7650   5.8490   1.9860 -1.730000 2.657000 
1 1 1   35   11   26 o   3.6520   1.2140   3.5640   1.6890   3.7390   1.7430 -0.1751000 2.427000 
1 1 1   35   11   27 o   3.2110   1.1050   3.1570   1.5430   3.2660   1.5810 -0.1096000 2.209000 
1 1 1   35   11   28 o   2.9090   1.0210   3.0380   1.4980   2.7800   1.3870 0.2579000 2.041000 
1 1 1   35   11   29 o   2.0820   0.7595   2.0570   1.0610   2.1070   1.0870 -0.4944000E-01 1.519000 
1 1 1   35   13    0 o   26.550   0.7139   26.240   0.6135   26.850   1.2890 -0.6054000 1.428000 
1 1 1   35   13    1 o   34.330   0.6455   33.310   0.6083   35.350   1.1390 -2.039000 1.291000 
1 1 1   35   13    2 o   26.210   0.7067   24.230   0.6334   28.200   1.2640 -3.966000 1.413000 
1 1 1   35   13    3 o   18.680   0.6799   19.120   0.5720   18.230   1.2340 0.8946000 1.360000 
1 1 1   35   13    4 o   15.520   0.7764   15.420   0.6645   15.630   1.4030 -0.2105000 1.553000 
1 1 1   35   13    5 o   8.2960   1.3260   8.3030   1.1900   8.2880   2.3710 0.1464000E-01 2.653000 
1 1 1   35   13    6 o   16.080   0.7403   15.810   0.6902   16.350   1.3100 -0.5356000 1.481000 
1 1 1   35   13    7 o   10.940   1.1010   11.470   0.8735   10.400   2.0210 1.073000 2.201000 
1 1 1   35   13    8 o   10.760   1.0800   10.840   0.9552   10.680   1.9380 0.1593000 2.161000 
1 1 1   35   13    9 o   3.7800   1.2330   3.2110   1.4470   4.3500   1.9980 -1.138000 2.467000 
1 1 1   35   13   10 o   6.8560   1.2190   8.9000   1.3370   4.8120   2.0390 4.087000 2.438000 
1 1 1   35   13   11 o   12.800   0.7087   13.890   0.8606   11.710   1.1260 2.176000 1.417000 
1 1 1   35   13   12 o   3.9960   1.2290   3.4090   1.6050   4.5830   1.8610 -1.174000 2.457000 
1 1 1   35   13   13 o   9.0480   0.8897   9.9010   1.0780   8.1960   1.4160 1.704000 1.779000 
1 1 1   35   13   14 o   7.6440   1.0390   8.2740   1.2420   7.0150   1.6650 1.259000 2.077000 
1 1 1   35   13   15 o   14.050   0.5618   14.300   0.7360   13.810   0.8491 0.4942000 1.124000 
1 1 1   35   13   16 o   3.9230   1.1500   3.4580   1.5150   4.3880   1.7310 -0.9301000 2.301000 
1 1 1   35   13   17 o   6.1600   1.2070   8.0710   1.5520   4.2490   1.8490 3.822000 2.414000 
1 1 1   35   13   18 o   3.9640   1.1550   4.5080   1.7040   3.4200   1.5600 1.088000 2.310000 
1 1 1   35   13   19 o   3.4140   1.0850   3.6000   1.5630   3.2290   1.5060 0.3710000 2.171000 
1 1 1   35   13   20 o   3.9900   1.1880   4.2660   1.7130   3.7150   1.6470 0.5512000 2.376000 
1 1 1   35   13   21 f   6.6890   1.3260   5.6180   1.9060   7.7600   1.8450 -2.142000 2.653000 
1 1 1   35   13   22 o   3.8940   1.2350   3.9080   1.7300   3.8800   1.7630 0.2741000E-01 2.470000 
1 1 1   35   13   23 o   4.1780   1.2660   3.8880   1.7050   4.4680   1.8710 -0.5802000 2.531000 
1 1 1   35   13   24 o   4.9840   1.3650   4.9410   1.9180   5.0260   1.9440 -0.8526000E-01 2.731000 
1 1 1   35   13   25 o   3.4600   1.1690   3.4310   1.6450   3.4900   1.6630 -0.5907000E-01 2.339000 
1 1 1   35   13   26 o   4.0130   1.2630   2.7990   1.4000   5.2270   2.1020 -2.427000 2.526000 
1 1 1   35   13   27 o   3.1790   1.0730   3.6170   1.6620   2.7400   1.3560 0.8779000 2.145000 
1 1 1   35   13   28 f   2.2320   0.8083   2.1980   1.1180   2.2660   1.1680 -0.6771000E-01 1.617000 
1 1 1   35   15    0 o   8.6150   0.8891   8.4200   1.1990   8.8110   1.3130 -0.3910000 1.778000 
1 1 1   35   15    1 o   17.470   0.4497   16.960   0.6152   17.980   0.6562 -1.020000 0.8995000 
1 1 1   35   15    2 o   49.520   0.3688   49.040   0.5116   50.000   0.5314 -0.9521000 0.7376000 
1 1 1   35   15    3 o   18.730   0.4341   18.230   0.5828   19.230   0.6434 -0.9993000 0.8681000 
1 1 1   35   15    4 o   16.420   0.4771   15.760   0.6499   17.090   0.6986 -1.326000 0.9541000 
1 1 1   35   15    5 o   21.360   0.3950   21.730   0.5176   20.990   0.5968 0.7344000 0.7900000 
1 1 1   35   15    6 o   16.030   0.4855   15.010   0.6840   17.050   0.6890 -2.031000 0.9709000 
1 1 1   35   15    7 o   4.9540   1.2550   5.1220   1.7390   4.7850   1.8100 0.3377000 2.510000 
1 1 1   35   15    8 o   18.230   0.4931   17.770   0.7064   18.690   0.6882 -0.9214000 0.9862000 
1 1 1   35   15    9 o   5.4740   1.2550   4.4990   1.7530   6.4500   1.7960 -1.951000 2.510000 
1 1 1   35   15   10 o   14.380   0.6941   14.410   0.9819   14.340   0.9813 0.6878000E-01 1.388000 
1 1 1   35   15   11 o   8.4060   1.1970   6.3330   1.9650   10.480   1.3670 -4.147000 2.393000 
1 1 1   35   15   12 o   18.350   0.5046   18.770   0.6039   17.940   0.8085 0.8258000 1.009000 
1 1 1   35   15   13 o   16.220   0.5588   16.020   0.6869   16.410   0.8817 -0.3924000 1.118000 
1 1 1   35   15   14 o   5.1890   1.2070   6.3400   1.6280   4.0390   1.7820 2.301000 2.413000 
1 1 1   35   15   15 o   8.4280   1.2590   10.990   0.9945   5.8670   2.3130 5.121000 2.518000 
1 1 1   35   15   16 o   6.3510   1.4960   5.0600   1.8730   7.6420   2.3320 -2.582000 2.991000 
1 1 1   35   15   17 o   5.5050   1.2220   7.1690   1.6020   3.8410   1.8470 3.328000 2.445000 
1 1 1   35   15   18 o   5.1790   1.3870   5.5470   1.7690   4.8100   2.1370 0.7373000 2.774000 
1 1 1   35   15   19 o   6.4460   1.4850   6.7150   1.7460   6.1780   2.4020 0.5377000 2.969000 
1 1 1   35   15   20 o   9.8530   1.5620   11.150   1.2580   8.5550   2.8600 2.597000 3.124000 
1 1 1   35   15   21 o   7.4100   1.4890   7.8610   1.6430   6.9590   2.4840 0.9025000 2.978000 
1 1 1   35   15   22 o   3.7790   1.2760   2.5800   1.2840   4.9780   2.2060 -2.397000 2.552000 
1 1 1   35   15   23 o   4.9790   1.3430   5.8340   1.9490   4.1240   1.8470 1.710000 2.685000 
1 1 1   35   15   24 o   6.0930   1.2680   3.7000   1.7270   8.4860   1.8570 -4.786000 2.536000 
1 1 1   35   15   25 o   3.7820   1.2880   3.6410   1.7760   3.9230   1.8660 -0.2823000 2.577000 
1 1 1   35   15   26 o   2.7130   0.9546   2.4440   1.2270   2.9810   1.4630 -0.5364000 1.909000 
1 1 1   35   15   27 o   2.6500   0.9509   2.5690   1.2790   2.7300   1.4080 -0.1604000 1.902000 
1 1 1   35   17    0 o   13.540   0.5683   14.360   0.7247   12.720   0.8756 1.640000 1.137000 
1 1 1   35   17    1 o   11.620   0.7059   11.140   0.9963   12.100   1.0000 -0.9636000 1.412000 
1 1 1   35   17    2 o   7.3960   1.0900   7.8440   1.4120   6.9470   1.6610 0.8970000 2.180000 
1 1 1   35   17    3 o   12.390   0.6689   12.830   0.8676   11.950   1.0180 0.8766000 1.338000 
1 1 1   35   17    4 o   25.700   0.3926   25.770   0.5329   25.630   0.5766 0.1398000 0.7851000 
1 1 1   35   17    5 o   4.2610   1.1990   3.6230   1.5720   4.8980   1.8110 -1.275000 2.398000 
1 1 1   35   17    6 o   18.380   0.4419   18.470   0.5969   18.300   0.6518 0.1696000 0.8838000 
1 1 1   35   17    7 o   7.0680   1.0810   6.6720   1.5180   7.4630   1.5390 -0.7904000 2.162000 
1 1 1   35   17    8 o   3.3700   1.0680   3.0410   1.3980   3.6980   1.6160 -0.6567000 2.137000 
1 1 1   35   17    9 o   4.6840   1.3040   6.1660   2.1130   3.2020   1.5280 2.964000 2.607000 
1 1 1   35   17   10 o   11.250   0.7180   12.330   0.8712   10.180   1.1420 2.154000 1.436000 
1 1 1   35   17   11 o   7.5730   1.0490   6.8540   1.5440   8.2910   1.4210 -1.437000 2.099000 
1 1 1   35   17   12 o   3.9230   1.1490   3.0840   1.4250   4.7610   1.8020 -1.676000 2.297000 
1 1 1   35   17   13 o   4.1150   1.1580   4.7990   1.7070   3.4300   1.5660 1.370000 2.316000 
1 1 1   35   17   14 o   3.9520   1.1670   3.1860   1.4610   4.7180   1.8200 -1.532000 2.334000 
1 1 1   35   17   15 o   12.420   0.8268   12.410   1.0730   12.430   1.2580 -0.2207000E-01 1.654000 
1 1 1   35   17   16 o   3.5660   1.1290   3.3440   1.5220   3.7890   1.6670 -0.4445000 2.257000 
1 1 1   35   17   17 o   3.1720   1.0500   2.7650   1.3380   3.5790   1.6180 -0.8140000 2.100000 
1 1 1   35   17   18 o   6.8450   1.3270   6.2110   1.9190   7.4790   1.8340 -1.268000 2.655000 
1 1 1   35   17   19 o   3.8460   1.2130   3.1130   1.4780   4.5800   1.9230 -1.466000 2.425000 
1 1 1   35   17   20 o   3.9440   1.2070   3.0660   1.4620   4.8210   1.9200 -1.755000 2.413000 
1 1 1   35   17   21 o   4.2650   1.2030   5.6390   1.9420   2.8920   1.4200 2.747000 2.406000 
1 1 1   35   17   22 o   5.5760   1.3300   4.3310   1.8160   6.8210   1.9450 -2.490000 2.661000 
1 1 1   35   17   23 o   3.5540   1.2240   2.9980   1.5090   4.1100   1.9280 -1.111000 2.448000 
1 1 1   35   17   24 o   3.2010   1.1250   3.0530   1.5290   3.3490   1.6500 -0.2961000 2.250000 
1 1 1   35   17   25 o   2.6830   0.9386   2.0870   1.0640   3.2780   1.5460 -1.191000 1.877000 
1 1 1   35   19    0 o   9.6950   0.7735   9.2270   1.1060   10.160   1.0810 -0.9369000 1.547000 
1 1 1   35   19    1 o   16.790   0.4690   16.080   0.6569   17.500   0.6695 -1.412000 0.9380000 
1 1 1   35   19    2 o   15.870   0.4837   16.450   0.6323   15.290   0.7322 1.164000 0.9675000 
1 1 1   35   19    3 o   17.580   0.4417   17.200   0.6057   17.960   0.6430 -0.7640000 0.8833000 
1 1 1   35   19    4 o   14.640   0.5216   14.030   0.7312   15.250   0.7441 -1.215000 1.043000 
1 1 1   35   19    5 o   6.1260   1.1690   5.1690   1.7010   7.0820   1.6050 -1.913000 2.339000 
1 1 1   35   19    6 o   12.360   0.7858   12.120   1.1000   12.610   1.1220 -0.4929000 1.572000 
1 1 1   35   19    7 o   17.750   0.5791   17.340   0.8022   18.160   0.8353 -0.8123000 1.158000 
1 1 1   35   19    8 o   9.1660   0.8844   8.9320   1.2130   9.4000   1.2870 -0.4682000 1.769000 
1 1 1   35   19    9 o   16.080   0.5283   16.350   0.6830   15.800   0.8062 0.5410000 1.057000 
1 1 1   35   19   10 o   9.4390   0.9310   10.740   0.9980   8.1360   1.5720 2.606000 1.862000 
1 1 1   35   19   11 o   3.7350   1.1460   3.1170   1.4530   4.3520   1.7720 -1.235000 2.292000 
1 1 1   35   19   12 o   10.790   0.8505   8.6330   1.3820   12.940   0.9917 -4.311000 1.701000 
1 1 1   35   19   13 o   9.6020   1.1620   11.580   1.2030   7.6220   1.9890 3.961000 2.325000 
1 1 1   35   19   14 o   4.3570   1.3080   4.6780   1.8700   4.0350   1.8290 0.6422000 2.616000 
1 1 1   35   19   15 o   6.2660   1.2640   7.8400   1.6900   4.6910   1.8810 3.149000 2.529000 
1 1 1   35   19   16 o   3.9260   1.2170   4.5180   1.8550   3.3340   1.5780 1.184000 2.435000 
1 1 1   35   19   17 o   11.930   0.8371   12.740   1.0270   11.130   1.3220 1.609000 1.674000 
1 1 1   35   19   18 o   3.3530   1.1080   3.4990   1.5950   3.2080   1.5380 0.2914000 2.216000 
1 1 1   35   19   19 o   5.0620   1.3600   5.1980   1.9040   4.9270   1.9430 0.2709000 2.721000 
1 1 1   35   19   20 o   2.9420   1.0110   2.9220   1.4180   2.9620   1.4410 -0.4066000E-01 2.021000 
1 1 1   35   19   21 o   3.8730   1.2280   3.7000   1.6850   4.0460   1.7870 -0.3462000 2.456000 
1 1 1   35   19   22 o   3.1280   1.1030   3.4010   1.6700   2.8540   1.4410 0.5464000 2.206000 
1 1 1   35   19   23 o   2.6580   0.9436   2.0900   1.0720   3.2260   1.5530 -1.135000 1.887000 
1 1 1   35   19   24 o   2.7000   0.9400   2.6730   1.3190   2.7270   1.3400 -0.5399000E-01 1.880000 
1 1 1   35   21    0 o   18.360   0.4450   18.070   0.6128   18.640   0.6453 -0.5742000 0.8899000 
1 1 1   35   21    1 o   21.220   0.4092   20.350   0.5739   22.090   0.5834 -1.736000 0.8183000 
1 1 1   35   21    2 o   27.680   0.3990   27.830   0.4892   27.520   0.6306 0.3103000 0.7981000 
1 1 1   35   21    3 o   14.630   0.6729   14.760   0.8999   14.500   1.0010 0.2654000 1.346000 
1 1 1   35   21    4 o   8.7850   1.1380   8.5160   1.5740   9.0540   1.6450 -0.5382000 2.277000 
1 1 1   35   21    5 o   10.720   0.7446   10.270   1.0170   11.170   1.0880 -0.8977000 1.489000 
1 1 1   35   21    6 o   9.7650   0.8351   9.2480   1.1520   10.280   1.2090 -1.033000 1.670000 
1 1 1   35   21    7 o   17.210   0.4980   17.060   0.6687   17.370   0.7382 -0.3133000 0.9960000 
1 1 1   35   21    8 o   13.770   0.6200   13.870   0.8228   13.670   0.9277 0.1990000 1.240000 
1 1 1   35   21    9 o   4.7250   1.2670   4.6280   1.7530   4.8210   1.8300 -0.1932000 2.535000 
1 1 1   35   21   10 o   11.920   0.7548   12.940   0.9156   10.900   1.2000 2.041000 1.510000 
1 1 1   35   21   11 o   3.7230   1.1800   2.6950   1.3230   4.7510   1.9550 -2.056000 2.361000 
1 1 1   35   21   12 o   10.930   1.0340   11.480   1.3520   10.380   1.5660 1.106000 2.069000 
1 1 1   35   21   13 o   5.5030   1.3860   5.6700   1.9200   5.3360   2.0000 0.3335000 2.772000 
1 1 1   35   21   14 o   3.6700   1.1920   3.4490   1.6110   3.8900   1.7570 -0.4415000 2.384000 
1 1 1   35   21   15 o   4.2780   1.2790   4.2750   1.7930   4.2820   1.8250 -0.7528000E-02 2.558000 
1 1 1   35   21   16 o   5.1330   1.3490   5.5400   1.8990   4.7260   1.9160 0.8143000 2.698000 
1 1 1   35   21   17 o   4.5710   1.2130   6.1200   1.9370   3.0220   1.4620 3.098000 2.427000 
1 1 1   35   21   18 o   8.3960   1.2100   7.9920   1.7490   8.7990   1.6740 -0.8071000 2.421000 
1 1 1   35   21   19 o   4.0370   1.2130   5.0210   1.9260   3.0520   1.4730 1.969000 2.425000 
1 1 1   35   21   20 o   3.8790   1.2230   4.9570   2.0050   2.8010   1.4000 2.156000 2.445000 
1 1 1   35   21   21 o   3.8310   1.2350   3.0360   1.4900   4.6260   1.9710 -1.589000 2.471000 
1 1 1   35   21   22 o   2.6270   0.9225   2.7350   1.3470   2.5180   1.2610 0.2177000 1.845000 
1 1 1   35   23    0 o   6.9720   1.1580   7.8500   1.3890   6.0940   1.8550 1.756000 2.317000 
1 1 1   35   23    1 o   3.3080   1.0650   2.5490   1.2500   4.0680   1.7240 -1.519000 2.129000 
1 1 1   35   23    2 o   8.6720   0.9733   8.0290   1.4350   9.3160   1.3150 -1.287000 1.947000 
1 1 1   35   23    3 o   4.4310   1.2140   3.5480   1.5760   5.3140   1.8470 -1.766000 2.428000 
1 1 1   35   23    4 o   6.7060   1.1480   4.8250   1.7590   8.5860   1.4750 -3.761000 2.296000 
1 1 1   35   23    5 o   4.8510   1.2300   5.7050   1.7820   3.9970   1.6970 1.709000 2.461000 
1 1 1   35   23    6 o   7.8000   1.0950   9.0550   1.2630   6.5450   1.7890 2.510000 2.191000 
1 1 1   35   23    7 o   15.060   0.5776   14.470   0.8052   15.650   0.8283 -1.174000 1.155000 
1 1 1   35   23    8 o   5.6460   1.4840   6.1760   2.0840   5.1160   2.1130 1.059000 2.968000 
1 1 1   35   23    9 f   3.7910   1.2490   3.5390   1.6690   4.0440   1.8570 -0.5046000 2.497000 
1 1 1   35   23   10 o   5.6330   1.4360   6.0490   2.1020   5.2170   1.9570 0.8312000 2.872000 
1 1 1   35   23   11 o   5.9350   1.2350   7.5880   1.6980   4.2830   1.7920 3.304000 2.469000 
1 1 1   35   23   12 o   5.4760   1.3210   6.4120   1.8730   4.5390   1.8640 1.872000 2.642000 
1 1 1   35   23   13 o   5.1700   1.3390   5.7070   1.8950   4.6320   1.8910 1.075000 2.677000 
1 1 1   35   23   14 o   8.0700   1.2080   6.7090   1.8510   9.4300   1.5530 -2.721000 2.416000 
1 1 1   35   23   15 o   3.9350   1.2180   4.3710   1.8130   3.4980   1.6260 0.8729000 2.435000 
1 1 1   35   23   16 o   3.1860   1.0750   3.3210   1.5610   3.0510   1.4770 0.2702000 2.149000 
1 1 1   35   23   17 o   3.0430   1.0550   3.0450   1.4940   3.0400   1.4920 0.5389000E-02 2.111000 
1 1 1   35   23   18 f   2.7650   0.9754   2.7550   1.3720   2.7750   1.3860 -0.1950000E-01 1.951000 
1 1 1   35   23   19 o   3.1680   1.0840   3.4870   1.6420   2.8500   1.4150 0.6366000 2.168000 
1 1 1   35   23   20 o   2.6330   0.9332   2.7020   1.3490   2.5640   1.2900 0.1378000 1.866000 
1 1 1   35   25    0 o   4.3940   1.2260   5.6100   1.9240   3.1790   1.5200 2.431000 2.452000 
1 1 1   35   25    1 o   5.5710   1.2560   7.2210   1.8140   3.9210   1.7370 3.301000 2.511000 
1 1 1   35   25    2 o   8.9430   1.1410   7.7160   1.7910   10.170   1.4160 -2.455000 2.283000 
1 1 1   35   25    3 o   7.4990   1.2250   5.3950   1.9320   9.6040   1.5060 -4.208000 2.449000 
1 1 1   35   25    4 f   3.9330   1.2340   3.8410   1.7140   4.0240   1.7760 -0.1832000 2.468000 
1 1 1   35   25    5 o   4.5010   1.3780   4.5940   1.9420   4.4080   1.9560 0.1862000 2.757000 
1 1 1   35   25    6 o   12.930   0.8146   14.190   0.9687   11.680   1.3100 2.516000 1.629000 
1 1 1   35   25    7 o   13.540   0.6856   14.100   0.8980   12.990   1.0360 1.107000 1.371000 
1 1 1   35   25    8 o   5.4840   1.2810   6.5090   1.7990   4.4590   1.8240 2.050000 2.562000 
1 1 1   35   25    9 o   5.2670   1.3110   5.9580   1.8620   4.5750   1.8470 1.382000 2.623000 
1 1 1   35   25   10 o   3.4200   1.1190   3.6540   1.6410   3.1850   1.5200 0.4688000 2.237000 
1 1 1   35   25   11 o   7.1710   1.2890   5.7260   1.9210   8.6160   1.7190 -2.890000 2.578000 
1 1 1   35   25   12 o   3.7650   1.2030   3.7280   1.6800   3.8020   1.7240 -0.7389000E-01 2.407000 
1 1 1   35   25   13 o   3.5350   1.1470   4.0390   1.7640   3.0300   1.4660 1.010000 2.294000 
1 1 1   35   25   14 o   2.9660   1.0330   2.9510   1.4560   2.9810   1.4670 -0.3043000E-01 2.067000 
1 1 1   35   25   15 o   3.3500   1.1300   2.8260   1.4030   3.8750   1.7710 -1.049000 2.260000 
1 1 1   35   25   16 o   2.5760   0.9065   2.5320   1.2610   2.6190   1.3020 -0.8703000E-01 1.813000 
1 1 1   35   25   17 o   2.6680   0.9396   2.5230   1.2570   2.8140   1.3970 -0.2907000 1.879000 
1 1 1   35   25   18 o   2.0420   0.7488   2.0010   1.0340   2.0830   1.0830 -0.8141000E-01 1.498000 
1 1 1   35   27    0 o   11.250   0.9652   11.210   1.2940   11.290   1.4320 -0.7397000E-01 1.930000 
1 1 1   35   27    1 o   8.2920   1.2900   9.5220   1.5780   7.0610   2.0400 2.461000 2.579000 
1 1 1   35   27    2 o   8.3770   1.2970   8.2390   1.8240   8.5150   1.8440 -0.2758000 2.594000 
1 1 1   35   27    3 o   9.6410   0.9763   9.8190   1.3120   9.4630   1.4460 0.3558000 1.953000 
1 1 1   35   27    4 o   4.9180   1.3060   5.4640   1.8700   4.3720   1.8240 1.092000 2.612000 
1 1 1   35   27    5 o   4.2760   1.2380   5.0550   1.8730   3.4980   1.6190 1.557000 2.476000 
1 1 1   35   27    6 o   6.0700   1.3350   5.2710   1.9100   6.8680   1.8650 -1.596000 2.670000 
1 1 1   35   27    7 o   4.1340   1.2370   4.4460   1.8000   3.8230   1.6980 0.6232000 2.474000 
1 1 1   35   27    8 o   3.8900   1.2090   3.9100   1.7010   3.8700   1.7180 0.3965000E-01 2.418000 
1 1 1   35   27    9 o   3.1190   1.0720   3.0460   1.4830   3.1910   1.5480 -0.1447000 2.144000 
1 1 1   35   27   10 o   3.5200   1.1670   3.1220   1.5170   3.9170   1.7740 -0.7951000 2.335000 
1 1 1   35   27   11 o   3.8200   1.2270   4.3990   1.8890   3.2420   1.5660 1.157000 2.454000 
1 1 1   35   27   12 o   3.3230   1.0980   3.3080   1.5420   3.3380   1.5630 -0.2970000E-01 2.196000 
1 1 1   35   27   13 o   2.6530   0.9265   3.0050   1.4430   2.3000   1.1630 0.7045000 1.853000 
1 1 1   35   27   14 o   2.6110   0.9153   2.2950   1.1570   2.9280   1.4190 -0.6335000 1.831000 
1 1 1   35   27   15 o   1.8840   0.6938   1.8940   0.9862   1.8740   0.9761 0.1998000E-01 1.388000 
1 1 1   35   29    0 o   5.4590   1.2990   6.4730   1.8400   4.4440   1.8330 2.029000 2.597000 
1 1 1   35   29    1 o   3.6430   1.1860   3.1100   1.5010   4.1770   1.8380 -1.067000 2.373000 
1 1 1   35   29    2 o   6.6310   1.4210   6.7950   1.9730   6.4670   2.0450 0.3285000 2.842000 
1 1 1   35   29    3 o   3.6290   1.1920   3.3320   1.5840   3.9260   1.7800 -0.5944000 2.383000 
1 1 1   35   29    4 o   3.9880   1.2350   4.8370   1.9420   3.1390   1.5270 1.698000 2.471000 
1 1 1   35   29    5 o   4.3980   1.3190   4.8680   1.9460   3.9280   1.7800 0.9404000 2.637000 
1 1 1   35   29    6 o   4.1700   1.2890   4.2200   1.8340   4.1190   1.8110 0.1011000 2.577000 
1 1 1   35   29    7 o   3.3960   1.0750   4.5060   1.8150   2.2860   1.1530 2.221000 2.150000 
1 1 1   35   29    8 o   4.1870   1.2260   3.6890   1.6400   4.6850   1.8220 -0.9963000 2.451000 
1 1 1   35   29    9 f   2.7790   0.9597   2.7310   1.3380   2.8270   1.3770 -0.9590000E-01 1.919000 
1 1 1   35   29   10 o   5.6330   1.1910   7.4880   1.6980   3.7780   1.6710 3.710000 2.382000 
1 1 1   35   29   11 o   2.3280   0.8522   2.3160   1.1990   2.3390   1.2110 -0.2284000E-01 1.704000 
1 1 1   35   31    0 o   2.8140   0.9653   2.7910   1.3540   2.8370   1.3760 -0.4603000E-01 1.931000 
1 1 1   35   31    1 o   2.3190   0.8258   2.0940   1.0640   2.5430   1.2630 -0.4488000 1.652000 
1 1 1   35   31    2 o   2.6050   0.9078   3.0480   1.4480   2.1620   1.0950 0.8859000 1.816000 
1 1 1   35   31    3 o   3.2100   1.0620   3.3230   1.5350   3.0970   1.4660 0.2259000 2.123000 
1 1 1   35   31    4 o   2.7410   0.9496   2.4440   1.2280   3.0380   1.4490 -0.5944000 1.899000 
1 1 1   36    0    0 o   60.510   0.5574   60.510   0.5574   60.510   0.5574 0.000000 0.000000 
1 1 1   36    0    1 o   14.950   0.5056   14.950   0.5056   14.950   0.5056 0.000000 0.000000 
1 1 1   36    0    2 o   12.250   0.6251   12.250   0.6251   12.250   0.6251 -0.000000 0.000000 
1 1 1   36    0    3 o   24.260   0.4094   24.260   0.4094   24.260   0.4094 0.000000 0.000000 
1 1 1   36    0    4 o   31.640   0.6247   31.640   0.6247   31.640   0.6247 -0.000000 0.000000 
1 1 1   36    0    5 o   66.580   0.8843   66.580   0.8843   66.580   0.8843 0.000000 0.000000 
1 1 1   36    0    6 f   4.3540   1.9800   4.3540   1.9800   4.3540   1.9800 -0.000000 0.000000 
1 1 1   36    0    7 o   54.400   0.5370   54.400   0.5370   54.400   0.5370 0.000000 0.000000 
1 1 1   36    0    8 o   50.130   0.5113   50.130   0.5113   50.130   0.5113 0.000000 0.000000 
1 1 1   36    0    9 o   9.4140   1.1690   9.4140   1.1690   9.4140   1.1690 -0.000000 0.000000 
1 1 1   36    0   10 o   47.300   0.5100   47.300   0.5100   47.300   0.5100 -0.000000 0.000000 
1 1 1   36    0   11 o   1.8100   1.2940   1.8100   1.2940   1.8100   1.2940 0.000000 0.000000 
1 1 1   36    0   12 o   7.9850   1.5020   7.9850   1.5020   7.9850   1.5020 -0.000000 0.000000 
1 1 1   36    0   13 o   27.950   0.6542   27.950   0.6542   27.950   0.6542 0.000000 0.000000 
1 1 1   36    0   14 f   42.590   0.6743   42.590   0.6743   42.590   0.6743 -0.000000 0.000000 
1 1 1   36    0   15 o   2.1560   1.4790   2.1560   1.4790   2.1560   1.4790 0.000000 0.000000 
1 1 1   36    0   16 o   4.7670   2.0890   4.7670   2.0890   4.7670   2.0890 0.000000 0.000000 
1 1 1   36    0   17 o   1.7570   1.2550   1.7570   1.2550   1.7570   1.2550 0.000000 0.000000 
1 1 1   36    0   18 o   4.8590   2.5170   4.8590   2.5170   4.8590   2.5170 -0.000000 0.000000 
1 1 1   36    0   19 o   8.8730   2.1070   8.8730   2.1070   8.8730   2.1070 0.000000 0.000000 
1 1 1   36    0   20 o   1.9450   1.3690   1.9450   1.3690   1.9450   1.3690 -0.000000 0.000000 
1 1 1   36    0   21 o   2.2740   1.5520   2.2740   1.5520   2.2740   1.5520 -0.000000 0.000000 
1 1 1   36    0   22 o   5.3760   2.0820   5.3760   2.0820   5.3760   2.0820 0.000000 0.000000 
1 1 1   36    0   23 o   7.5240   1.7740   7.5240   1.7740   7.5240   1.7740 0.000000 0.000000 
1 1 1   36    0   24 o   3.3600   2.0160   3.3600   2.0160   3.3600   2.0160 0.000000 0.000000 
1 1 1   36    0   25 o   2.4970   1.6980   2.4970   1.6980   2.4970   1.6980 0.000000 0.000000 
1 1 1   36    0   26 o   4.1800   2.4880   4.1800   2.4880   4.1800   2.4880 0.000000 0.000000 
1 1 1   36    0   27 o   6.4100   2.3260   6.4100   2.3260   6.4100   2.3260 -0.000000 0.000000 
1 1 1   36    0   28 o   3.3500   2.0680   3.3500   2.0680   3.3500   2.0680 -0.000000 0.000000 
1 1 1   36    0   29 o   2.1000   1.4900   2.1000   1.4900   2.1000   1.4900 0.000000 0.000000 
1 1 1   36    0   30 f   2.2880   1.6440   2.2880   1.6440   2.2880   1.6440 0.000000 0.000000 
1 1 1   36    2    0 o   20.330   0.3061   20.650   0.4435   20.010   0.4222 0.6419000 0.6123000 
1 1 1   36    2    1 o   52.800   0.3539   52.720   0.4999   52.890   0.5010 -0.1693000 0.7077000 
1 1 1   36    2    2 o   87.090   0.6420   87.280   0.9104   86.890   0.9054 0.3923000 1.284000 
1 1 1   36    2    3 o   8.8220   0.7600   8.9020   1.1250   8.7420   1.0220 0.1594000 1.520000 
1 1 1   36    2    4 o   30.260   0.2905   30.270   0.4114   30.240   0.4102 0.2340000E-01 0.5810000 
1 1 1   36    2    5 o   20.550   0.4279   19.920   0.5909   21.180   0.6190 -1.257000 0.8557000 
1 1 1   36    2    6 o   57.360   0.3920   57.370   0.5542   57.360   0.5545 0.9247000E-02 0.7840000 
1 1 1   36    2    7 o   7.7100   0.9430   7.2150   1.4030   8.2060   1.2600 -0.9907000 1.886000 
1 1 1   36    2    8 o   12.640   0.5762   12.610   0.8151   12.670   0.8146 -0.6202000E-01 1.152000 
1 1 1   36    2    9 o   25.690   0.3458   25.410   0.4889   25.960   0.4891 -0.5541000 0.6915000 
1 1 1   36    2   10 o   9.7500   0.7882   9.7260   1.1030   9.7740   1.1260 -0.4800000E-01 1.576000 
1 1 1   36    2   11 o   6.7080   1.1140   7.4480   1.4610   5.9680   1.6820 1.480000 2.228000 
1 1 1   36    2   12 o   3.2200   1.0370   3.5490   1.5560   2.8910   1.3720 0.6589000 2.075000 
1 1 1   36    2   13 o   13.750   0.6135   13.550   0.8391   13.960   0.8952 -0.4108000 1.227000 
1 1 1   36    2   14 o   3.7390   1.1410   3.0960   1.4680   4.3820   1.7460 -1.285000 2.281000 
1 1 1   36    2   15 o   13.130   0.5831   13.870   0.7734   12.400   0.8730 1.471000 1.166000 
1 1 1   36    2   16 o   18.820   0.4137   19.040   0.5600   18.600   0.6090 0.4367000 0.8273000 
1 1 1   36    2   17 o   8.1210   0.8948   8.4110   1.2080   7.8320   1.3200 0.5785000 1.790000 
1 1 1   36    2   18 o   7.3600   1.2030   8.1190   1.6320   6.6010   1.7670 1.519000 2.405000 
1 1 1   36    2   19 o   6.2420   1.2760   5.0260   1.7840   7.4580   1.8250 -2.433000 2.552000 
1 1 1   36    2   20 o   6.3880   1.1470   6.6150   1.5570   6.1610   1.6850 0.4534000 2.294000 
1 1 1   36    2   21 o   8.1310   0.9471   7.8920   1.3310   8.3700   1.3480 -0.4787000 1.894000 
1 1 1   36    2   22 o   3.4520   1.0550   4.2920   1.6780   2.6110   1.2790 1.681000 2.110000 
1 1 1   36    2   23 o   4.0510   1.1810   4.4590   1.7210   3.6430   1.6180 0.8159000 2.362000 
1 1 1   36    2   24 o   4.2030   1.2230   4.5960   1.7760   3.8100   1.6820 0.7861000 2.446000 
1 1 1   36    2   25 o   5.2350   1.2770   3.8870   1.6930   6.5830   1.9130 -2.695000 2.555000 
1 1 1   36    2   26 o   4.3300   1.3810   4.0890   1.8740   4.5710   2.0290 -0.4817000 2.762000 
1 1 1   36    2   27 o   4.9680   1.3960   3.8220   1.7610   6.1150   2.1660 -2.293000 2.792000 
1 1 1   36    2   28 o   5.0630   1.3750   4.8290   1.9040   5.2970   1.9840 -0.4679000 2.750000 
1 1 1   36    2   29 o   2.8830   0.9972   2.9320   1.4250   2.8350   1.3950 0.9650000E-01 1.994000 
1 1 1   36    2   30 o   2.5670   0.9222   2.4650   1.2500   2.6680   1.3560 -0.2037000 1.844000 
1 1 1   36    4    0 o   47.450   0.4563   47.850   0.6477   47.050   0.6429 0.7966000 0.9126000 
1 1 1   36    4    1 o   49.790   0.4778   49.400   0.6728   50.180   0.6786 -0.7848000 0.9556000 
1 1 1   36    4    2 o   17.720   0.3188   17.570   0.4657   17.860   0.4355 -0.2828000 0.6376000 
1 1 1   36    4    3 o   20.700   0.3122   20.280   0.4496   21.120   0.4333 -0.8446000 0.6244000 
1 1 1   36    4    4 o   50.250   0.3525   50.010   0.4969   50.490   0.5001 -0.4778000 0.7049000 
1 1 1   36    4    5 o   4.9660   1.1710   6.2650   1.6770   3.6680   1.6340 2.598000 2.342000 
1 1 1   36    4    6 o   15.800   0.5622   15.800   0.7200   15.800   0.8636 -0.4872000E-02 1.124000 
1 1 1   36    4    7 o   26.760   0.3314   27.150   0.4582   26.370   0.4789 0.7749000 0.6627000 
1 1 1   36    4    8 o   5.3850   1.1580   6.3550   1.5920   4.4140   1.6810 1.941000 2.316000 
1 1 1   36    4    9 o   26.940   0.3905   26.950   0.4758   26.930   0.6194 0.1904000E-01 0.7810000 
1 1 1   36    4   10 o   24.810   0.4111   24.690   0.5084   24.930   0.6462 -0.2409000 0.8222000 
1 1 1   36    4   11 f   39.220   0.4024   38.930   0.4739   39.520   0.6504 -0.5896000 0.8047000 
1 1 1   36    4   12 o   11.120   0.8064   11.650   0.9741   10.600   1.2850 1.051000 1.613000 
1 1 1   36    4   13 o   18.670   0.4985   18.360   0.6168   18.980   0.7832 -0.6192000 0.9970000 
1 1 1   36    4   14 o   19.710   0.5933   20.050   0.6979   19.360   0.9596 0.6948000 1.187000 
1 1 1   36    4   15 o   5.8510   1.2480   4.3430   1.6630   7.3580   1.8620 -3.015000 2.496000 
1 1 1   36    4   16 o   10.450   0.8407   11.060   0.9282   9.8470   1.4020 1.209000 1.681000 
1 1 1   36    4   17 o   18.020   0.5559   17.910   0.7560   18.140   0.8153 -0.2265000 1.112000 
1 1 1   36    4   18 f   3.4310   1.1010   3.5590   1.5470   3.3030   1.5670 0.2566000 2.202000 
1 1 1   36    4   19 o   7.1410   1.5550   6.7970   1.7020   7.4860   2.6040 -0.6883000 3.111000 
1 1 1   36    4   20 o   9.8340   0.9330   9.9590   1.0440   9.7090   1.5470 0.2494000 1.866000 
1 1 1   36    4   21 o   4.4000   1.2460   4.6160   1.7040   4.1830   1.8190 0.4324000 2.492000 
1 1 1   36    4   22 f   8.1140   1.1550   7.2360   1.5440   8.9920   1.7170 -1.756000 2.309000 
1 1 1   36    4   23 o   8.3500   1.2320   8.1780   1.4550   8.5230   1.9880 -0.3443000 2.463000 
1 1 1   36    4   24 o   11.280   0.9869   11.650   1.0660   10.900   1.6610 0.7528000 1.974000 
1 1 1   36    4   25 o   3.5100   1.1700   3.6730   1.6710   3.3480   1.6380 0.3253000 2.340000 
1 1 1   36    4   26 o   3.1730   1.1080   3.1470   1.5220   3.1990   1.6090 -0.5167000E-01 2.215000 
1 1 1   36    4   27 o   4.1050   1.3540   4.0650   1.8410   4.1460   1.9860 -0.8074000E-01 2.708000 
1 1 1   36    4   28 o   3.4250   1.1720   2.4970   1.2520   4.3530   1.9810 -1.856000 2.344000 
1 1 1   36    4   29 o   2.9010   1.0150   2.9070   1.4200   2.8950   1.4520 0.1280000E-01 2.031000 
1 1 1   36    4   30 o   2.5430   0.9154   2.3800   1.2110   2.7060   1.3730 -0.3260000 1.831000 
1 1 1   36    6    0 o   37.790   0.4358   37.570   0.4742   38.010   0.7313 -0.4367000 0.8716000 
1 1 1   36    6    1 o   10.670   0.6232   10.080   0.8698   11.270   0.8927 -1.186000 1.246000 
1 1 1   36    6    2 f   26.310   0.3238   26.600   0.4262   26.010   0.4875 0.5930000 0.6475000 
1 1 1   36    6    3 o   78.310   0.6151   79.120   0.7243   77.510   0.9943 1.614000 1.230000 
1 1 1   36    6    4 o   37.480   0.3607   37.840   0.4392   37.110   0.5722 0.7298000 0.7213000 
1 1 1   36    6    5 o   60.030   0.6638   59.590   0.6676   60.470   1.1470 -0.8714000 1.328000 
1 1 1   36    6    6 o   31.370   0.5176   32.140   0.5198   30.600   0.8953 1.536000 1.035000 
1 1 1   36    6    7 o   34.560   0.3759   34.170   0.4531   34.940   0.5999 -0.7702000 0.7518000 
1 1 1   36    6    8 o   40.080   0.3953   39.900   0.4676   40.270   0.6375 -0.3690000 0.7906000 
1 1 1   36    6    9 o   5.4580   1.1940   3.6160   1.5640   7.3000   1.8050 -3.684000 2.389000 
1 1 1   36    6   10 o   11.040   0.8156   10.670   1.1020   11.410   1.2020 -0.7403000 1.631000 
1 1 1   36    6   11 o   3.3320   1.0760   3.3420   1.5120   3.3230   1.5310 0.1935000E-01 2.152000 
1 1 1   36    6   12 o   18.750   0.4335   19.280   0.5805   18.220   0.6441 1.066000 0.8671000 
1 1 1   36    6   13 o   21.710   0.3978   21.550   0.5534   21.870   0.5716 -0.3220000 0.7956000 
1 1 1   36    6   14 o   3.0690   1.0300   3.4580   1.5870   2.6790   1.3120 0.7795000 2.059000 
1 1 1   36    6   15 o   8.5560   0.8895   8.3890   1.2330   8.7220   1.2830 -0.3323000 1.779000 
1 1 1   36    6   16 o   3.7560   1.1430   3.0920   1.4670   4.4210   1.7530 -1.329000 2.286000 
1 1 1   36    6   17 o   6.5270   1.2260   5.7360   1.8410   7.3170   1.6190 -1.581000 2.452000 
1 1 1   36    6   18 o   15.580   0.5010   15.800   0.6758   15.370   0.7397 0.4331000 1.002000 
1 1 1   36    6   19 o   14.180   0.6625   14.470   0.8284   13.890   1.0340 0.5788000 1.325000 
1 1 1   36    6   20 o   3.6830   1.1180   3.2870   1.4820   4.0790   1.6740 -0.7919000 2.236000 
1 1 1   36    6   21 o   3.1740   1.0230   3.7700   1.6070   2.5780   1.2670 1.193000 2.046000 
1 1 1   36    6   22 o   4.2450   1.2110   4.0710   1.6670   4.4200   1.7570 -0.3494000 2.422000 
1 1 1   36    6   23 o   4.5910   1.2600   4.8780   1.7910   4.3050   1.7730 0.5724000 2.520000 
1 1 1   36    6   24 o   10.360   0.8940   10.720   1.1210   10.010   1.3930 0.7072000 1.788000 
1 1 1   36    6   25 o   6.7080   1.3550   4.8880   1.9230   8.5290   1.9090 -3.641000 2.710000 
1 1 1   36    6   26 o   4.1680   1.2730   5.0520   1.9990   3.2840   1.5750 1.768000 2.545000 
1 1 1   36    6   27 o   3.5410   1.1810   3.1330   1.5300   3.9480   1.8000 -0.8150000 2.362000 
1 1 1   36    6   28 o   3.4320   1.1220   2.7900   1.3740   4.0730   1.7750 -1.283000 2.245000 
1 1 1   36    6   29 o   3.5700   1.1900   3.6160   1.7090   3.5240   1.6560 0.9211000E-01 2.380000 
1 1 1   36    6   30 o   2.5150   0.8967   2.5350   1.2780   2.4950   1.2580 0.3999000E-01 1.793000 
1 1 1   36    8    0 o   46.650   0.5280   46.400   0.5508   46.900   0.9009 -0.4990000 1.056000 
1 1 1   36    8    1 o   21.660   0.3091   21.840   0.4063   21.480   0.4660 0.3643000 0.6183000 
1 1 1   36    8    2 o   25.460   0.3657   24.370   0.4815   26.550   0.5505 -2.175000 0.7314000 
1 1 1   36    8    3 o   73.700   0.5187   74.200   0.7831   73.210   0.6805 0.9885000 1.037000 
1 1 1   36    8    4 o   46.450   0.3476   46.300   0.4873   46.610   0.4957 -0.3144000 0.6951000 
1 1 1   36    8    5 o   8.1620   1.1060   7.5890   1.4960   8.7350   1.6300 -1.146000 2.212000 
1 1 1   36    8    6 o   41.120   0.3353   40.650   0.4677   41.590   0.4806 -0.9451000 0.6706000 
1 1 1   36    8    7 o   20.680   0.3945   20.570   0.5365   20.790   0.5784 -0.2179000 0.7889000 
1 1 1   36    8    8 o   17.010   0.4753   17.320   0.6472   16.710   0.6963 0.6079000 0.9506000 
1 1 1   36    8    9 o   6.9990   1.1410   7.0260   1.5250   6.9720   1.6960 0.5403000E-01 2.281000 
1 1 1   36    8   10 o   23.880   0.3735   23.560   0.5235   24.200   0.5329 -0.6432000 0.7470000 
1 1 1   36    8   11 o   17.880   0.4516   18.350   0.6081   17.420   0.6680 0.9316000 0.9033000 
1 1 1   36    8   12 o   6.7680   1.1030   6.5660   1.5720   6.9710   1.5480 -0.4048000 2.206000 
1 1 1   36    8   13 o   9.1790   0.8910   8.3820   1.2690   9.9760   1.2520 -1.594000 1.782000 
1 1 1   36    8   14 o   14.480   0.6327   14.290   0.9276   14.680   0.8607 -0.3906000 1.265000 
1 1 1   36    8   15 o   3.7430   1.1630   3.8980   1.6820   3.5870   1.6080 0.3105000 2.327000 
1 1 1   36    8   16 o   12.360   0.6280   12.040   0.8845   12.690   0.8918 -0.6431000 1.256000 
1 1 1   36    8   17 o   6.9020   1.0930   6.9550   1.4850   6.8480   1.6040 0.1068000 2.186000 
1 1 1   36    8   18 o   10.060   1.0100   11.980   1.0060   8.1510   1.7510 3.826000 2.020000 
1 1 1   36    8   19 o   3.9840   1.1600   2.4250   1.2100   5.5430   1.9800 -3.118000 2.320000 
1 1 1   36    8   20 o   5.6400   1.2290   5.0280   1.7300   6.2520   1.7450 -1.224000 2.457000 
1 1 1   36    8   21 o   11.330   0.7318   11.840   0.9318   10.810   1.1290 1.032000 1.464000 
1 1 1   36    8   22 o   5.8680   1.2760   6.3790   1.7340   5.3570   1.8740 1.023000 2.553000 
1 1 1   36    8   23 o   5.3820   1.3060   5.1400   1.7910   5.6240   1.9010 -0.4838000 2.612000 
1 1 1   36    8   24 o   4.1200   1.2780   3.5740   1.6490   4.6650   1.9520 -1.090000 2.555000 
1 1 1   36    8   25 o   3.7640   1.2040   3.3690   1.5750   4.1580   1.8200 -0.7891000 2.407000 
1 1 1   36    8   26 o   4.3610   1.3330   3.5010   1.6610   5.2200   2.0850 -1.720000 2.666000 
1 1 1   36    8   27 o   2.8520   0.9902   2.8890   1.4100   2.8160   1.3900 0.7223000E-01 1.980000 
1 1 1   36    8   28 o   3.5160   1.1800   4.0600   1.8480   2.9710   1.4700 1.089000 2.361000 
1 1 1   36    8   29 o   2.7800   0.9815   2.6510   1.3360   2.9080   1.4390 -0.2569000 1.963000 
1 1 1   36   10    0 o   57.790   0.3954   58.910   0.5628   56.670   0.5556 2.244000 0.7908000 
1 1 1   36   10    1 o   10.610   0.6199   10.980   0.7626   10.240   0.9776 0.7368000 1.240000 
1 1 1   36   10    2 o   41.350   0.3491   41.170   0.5096   41.520   0.4772 -0.3539000 0.6982000 
1 1 1   36   10    3 o   56.600   0.3932   56.680   0.5499   56.530   0.5622 0.1457000 0.7864000 
1 1 1   36   10    4 o   6.5190   1.2570   6.0170   1.6780   7.0200   1.8730 -1.003000 2.515000 
1 1 1   36   10    5 o   26.700   0.3423   26.450   0.4732   26.940   0.4947 -0.4904000 0.6846000 
1 1 1   36   10    6 o   26.910   0.3725   26.390   0.5009   27.440   0.5514 -1.043000 0.7449000 
1 1 1   36   10    7 o   10.940   0.7646   11.030   0.9834   10.850   1.1710 0.1794000 1.529000 
1 1 1   36   10    8 o   31.830   0.3425   31.770   0.4737   31.890   0.4948 -0.1198000 0.6850000 
1 1 1   36   10    9 o   7.0930   1.0750   5.4450   1.7130   8.7410   1.3000 -3.296000 2.150000 
1 1 1   36   10   10 o   10.900   0.6978   10.680   0.9797   11.120   0.9940 -0.4407000 1.396000 
1 1 1   36   10   11 o   7.7080   0.9881   7.2120   1.4460   8.2030   1.3470 -0.9913000 1.976000 
1 1 1   36   10   12 o   15.950   0.4887   15.520   0.6889   16.390   0.6934 -0.8732000 0.9774000 
1 1 1   36   10   13 o   17.010   0.6940   16.410   1.1040   17.610   0.8418 -1.203000 1.388000 
1 1 1   36   10   14 o   10.890   0.8053   10.870   1.1520   10.920   1.1250 -0.5219000E-01 1.611000 
1 1 1   36   10   15 o   3.0540   1.0010   2.7640   1.3160   3.3450   1.5080 -0.5817000 2.002000 
1 1 1   36   10   16 o   3.2120   1.0290   3.2240   1.4450   3.2010   1.4640 0.2257000E-01 2.058000 
1 1 1   36   10   17 o   8.0190   0.9728   8.7860   1.1920   7.2520   1.5380 1.534000 1.946000 
1 1 1   36   10   18 o   4.3690   1.2020   5.4220   1.8180   3.3150   1.5740 2.107000 2.405000 
1 1 1   36   10   19 o   3.9760   1.1680   3.8490   1.6140   4.1020   1.6900 -0.2536000 2.337000 
1 1 1   36   10   20 o   5.4460   1.2420   5.7980   1.6960   5.0930   1.8160 0.7056000 2.485000 
1 1 1   36   10   21 o   3.4190   1.0960   3.2000   1.4780   3.6380   1.6180 -0.4377000 2.191000 
1 1 1   36   10   22 o   6.3610   1.2950   5.7050   1.8270   7.0160   1.8350 -1.312000 2.589000 
1 1 1   36   10   23 o   4.6770   1.3210   5.1320   1.9020   4.2220   1.8350 0.9102000 2.643000 
1 1 1   36   10   24 o   3.7470   1.1870   3.7130   1.6560   3.7810   1.7020 -0.6867000E-01 2.374000 
1 1 1   36   10   25 o   3.6400   1.1670   3.8450   1.6920   3.4360   1.6080 0.4094000 2.335000 
1 1 1   36   10   26 o   3.9670   1.2770   3.7600   1.7420   4.1740   1.8670 -0.4141000 2.554000 
1 1 1   36   10   27 o   3.4990   1.1360   4.1840   1.7980   2.8140   1.3880 1.370000 2.271000 
1 1 1   36   10   28 o   2.4440   0.8772   2.5120   1.2720   2.3770   1.2090 0.1352000 1.754000 
1 1 1   36   10   29 o   2.2900   0.8252   2.3280   1.1830   2.2520   1.1500 0.7586000E-01 1.650000 
1 1 1   36   12    0 o   20.340   0.5642   18.950   0.5419   21.730   0.9897 -2.777000 1.128000 
1 1 1   36   12    1 o   64.700   0.7372   65.840   0.7169   63.570   1.2880 2.272000 1.474000 
1 1 1   36   12    2 o   12.240   1.4320   12.720   0.9775   11.760   2.6920 0.9581000 2.864000 
1 1 1   36   12    3 o   47.770   0.6680   46.780   0.6829   48.760   1.1480 -1.987000 1.336000 
1 1 1   36   12    4 o   29.460   0.6458   28.190   0.5054   30.730   1.1890 -2.537000 1.292000 
1 1 1   36   12    5 o   9.7900   1.1480   8.5580   1.1270   11.020   2.0010 -2.465000 2.296000 
1 1 1   36   12    6 o   9.0080   1.2170   7.7350   1.3020   10.280   2.0580 -2.545000 2.435000 
1 1 1   36   12    7 o   21.660   0.5789   22.060   0.5147   21.270   1.0370 0.7837000 1.158000 
1 1 1   36   12    8 o   40.400   0.4555   39.740   0.4800   41.050   0.7743 -1.312000 0.9110000 
1 1 1   36   12    9 o   7.6740   1.3700   8.0230   1.3100   7.3250   2.4060 0.6976000 2.739000 
1 1 1   36   12   10 o   12.810   0.8752   12.070   0.8408   13.550   1.5350 -1.477000 1.750000 
1 1 1   36   12   11 f   6.0890   1.6040   5.6340   1.7820   6.5450   2.6680 -0.9109000 3.209000 
1 1 1   36   12   12 o   12.620   1.4750   14.980   1.2000   10.270   2.6950 4.711000 2.950000 
1 1 1   36   12   13 f   11.520   1.1060   12.490   1.1090   10.540   1.9140 1.948000 2.212000 
1 1 1   36   12   14 o   5.9260   1.2510   6.6350   1.5210   5.2170   1.9860 1.418000 2.502000 
1 1 1   36   12   15 o   12.390   0.6440   13.070   0.7870   11.710   1.0200 1.363000 1.288000 
1 1 1   36   12   16 o   7.9670   1.0080   8.7110   1.1920   7.2230   1.6270 1.488000 2.017000 
1 1 1   36   12   17 o   4.4510   1.3020   4.1620   1.7300   4.7400   1.9460 -0.5780000 2.604000 
1 1 1   36   12   18 o   4.6980   1.3150   3.9570   1.6920   5.4390   2.0140 -1.483000 2.631000 
1 1 1   36   12   19 o   3.5440   1.1190   3.5930   1.5730   3.4950   1.5920 0.9821000E-01 2.238000 
1 1 1   36   12   20 o   8.0500   1.1130   9.6030   1.2180   6.4970   1.8620 3.106000 2.225000 
1 1 1   36   12   21 o   3.9530   1.1950   4.3440   1.7520   3.5610   1.6260 0.7830000 2.390000 
1 1 1   36   12   22 o   3.6640   1.1940   3.2750   1.5460   4.0530   1.8190 -0.7778000 2.387000 
1 1 1   36   12   23 o   7.4510   1.2750   8.5030   1.5740   6.3990   2.0050 2.104000 2.549000 
1 1 1   36   12   24 o   6.2980   1.3000   7.9240   1.6720   4.6730   1.9910 3.251000 2.600000 
1 1 1   36   12   25 o   3.6240   1.2310   3.3060   1.5960   3.9420   1.8740 -0.6362000 2.462000 
1 1 1   36   12   26 o   3.0570   1.0650   3.0590   1.4990   3.0550   1.5130 0.3088000E-02 2.130000 
1 1 1   36   12   27 f   2.9070   1.0340   2.6370   1.3300   3.1770   1.5850 -0.5397000 2.068000 
1 1 1   36   12   28 o   2.4730   0.8880   2.0420   1.0440   2.9040   1.4370 -0.8618000 1.776000 
1 1 1   36   14    0 o   44.070   0.4061   44.000   0.5533   44.150   0.5946 -0.1460000 0.8122000 
1 1 1   36   14    1 o   41.600   0.3383   41.230   0.4664   41.970   0.4900 -0.7383000 0.6765000 
1 1 1   36   14    2 o   32.350   0.3351   32.230   0.4547   32.470   0.4923 -0.2406000 0.6702000 
1 1 1   36   14    3 f   15.700   0.4966   15.030   0.6804   16.370   0.7235 -1.345000 0.9932000 
1 1 1   36   14    4 o   38.140   0.3384   37.870   0.4640   38.420   0.4926 -0.5503000 0.6767000 
1 1 1   36   14    5 o   45.300   0.3513   45.340   0.4884   45.250   0.5051 0.9285000E-01 0.7026000 
1 1 1   36   14    6 o   14.350   0.5245   14.200   0.7030   14.500   0.7787 -0.2988000 1.049000 
1 1 1   36   14    7 o   6.5680   1.1280   6.3700   1.5510   6.7660   1.6380 -0.3958000 2.256000 
1 1 1   36   14    8 o   13.700   0.5597   13.280   0.7910   14.120   0.7921 -0.8389000 1.119000 
1 1 1   36   14    9 o   4.1770   1.2080   4.3840   1.7280   3.9710   1.6870 0.4128000 2.415000 
1 1 1   36   14   10 o   7.8330   1.0840   7.3860   1.5640   8.2800   1.5010 -0.8934000 2.168000 
1 1 1   36   14   11 o   4.8180   1.3390   4.6800   1.8870   4.9570   1.9010 -0.2776000 2.679000 
1 1 1   36   14   12 o   12.560   0.7861   12.290   1.1460   12.830   1.0760 -0.5457000 1.572000 
1 1 1   36   14   13 o   13.990   0.5817   14.800   0.7395   13.190   0.8980 1.603000 1.163000 
1 1 1   36   14   14 o   3.8320   1.1630   4.0410   1.6370   3.6240   1.6520 0.4173000 2.326000 
1 1 1   36   14   15 o   13.790   0.6594   14.200   0.7605   13.390   1.0770 0.8139000 1.319000 
1 1 1   36   14   16 o   5.5860   1.5060   5.0730   1.8670   6.0990   2.3630 -1.026000 3.012000 
1 1 1   36   14   17 o   3.7470   1.2440   3.0460   1.4500   4.4480   2.0210 -1.402000 2.488000 
1 1 1   36   14   18 o   3.8430   1.1930   3.8560   1.6390   3.8300   1.7360 0.2517000E-01 2.387000 
1 1 1   36   14   19 o   4.2610   1.2530   3.1790   1.4830   5.3430   2.0190 -2.163000 2.505000 
1 1 1   36   14   20 o   4.2430   1.3140   3.9400   1.7140   4.5460   1.9910 -0.6063000 2.627000 
1 1 1   36   14   21 o   9.9230   1.2610   11.570   1.2610   8.2760   2.1850 3.294000 2.523000 
1 1 1   36   14   22 o   4.3140   1.3060   3.9110   1.7090   4.7160   1.9770 -0.8055000 2.613000 
1 1 1   36   14   23 o   4.0920   1.2750   4.0700   1.7640   4.1130   1.8420 -0.4305000E-01 2.551000 
1 1 1   36   14   24 o   3.6540   1.1860   4.0240   1.7650   3.2840   1.5860 0.7393000 2.372000 
1 1 1   36   14   25 o   4.0800   1.3310   3.1680   1.5810   4.9910   2.1420 -1.822000 2.663000 
1 1 1   36   14   26 o   2.8600   1.0150   2.6590   1.3360   3.0600   1.5280 -0.4020000 2.030000 
1 1 1   36   14   27 o   2.4640   0.8734   2.3720   1.1920   2.5570   1.2770 -0.1848000 1.747000 
1 1 1   36   16    0 f   9.0160   0.8648   7.0710   1.4220   10.960   0.9839 -3.889000 1.730000 
1 1 1   36   16    1 o   18.970   0.4158   19.360   0.5532   18.590   0.6210 0.7785000 0.8317000 
1 1 1   36   16    2 o   45.060   0.3523   45.340   0.4906   44.780   0.5059 0.5591000 0.7047000 
1 1 1   36   16    3 o   34.130   0.3523   33.480   0.5138   34.780   0.4823 -1.309000 0.7047000 
1 1 1   36   16    4 o   16.160   0.5285   16.160   0.7017   16.150   0.7904 0.2737000E-02 1.057000 
1 1 1   36   16    5 o   37.670   0.3788   37.550   0.5269   37.790   0.5444 -0.2404000 0.7576000 
1 1 1   36   16    6 o   2.8110   0.9534   2.8370   1.3500   2.7850   1.3470 0.5211000E-01 1.907000 
1 1 1   36   16    7 o   14.210   0.5840   13.820   0.8156   14.600   0.8360 -0.7823000 1.168000 
1 1 1   36   16    8 o   8.4380   0.9176   9.4910   1.0600   7.3850   1.4980 2.106000 1.835000 
1 1 1   36   16    9 o   4.2430   1.2270   4.1730   1.6510   4.3130   1.8160 -0.1400000 2.454000 
1 1 1   36   16   10 o   10.490   0.9551   11.160   1.2470   9.8260   1.4470 1.337000 1.910000 
1 1 1   36   16   11 o   10.980   0.7297   10.830   0.9780   11.120   1.0830 -0.2875000 1.459000 
1 1 1   36   16   12 o   8.0170   1.0090   6.9220   1.5410   9.1130   1.3030 -2.191000 2.018000 
1 1 1   36   16   13 f   11.460   0.7078   11.150   0.9723   11.770   1.0290 -0.6211000 1.416000 
1 1 1   36   16   14 o   7.9900   1.0310   7.2070   1.5350   8.7720   1.3780 -1.565000 2.062000 
1 1 1   36   16   15 o   5.2520   1.3280   3.8850   1.6820   6.6190   2.0560 -2.734000 2.656000 
1 1 1   36   16   16 o   6.5640   1.1490   9.0880   1.4160   4.0400   1.8110 5.048000 2.299000 
1 1 1   36   16   17 o   3.4090   1.0940   3.5740   1.5810   3.2430   1.5130 0.3307000 2.189000 
1 1 1   36   16   18 o   5.0350   1.3000   4.5160   1.7690   5.5540   1.9050 -1.038000 2.600000 
1 1 1   36   16   19 o   6.1970   1.3810   6.5300   1.8980   5.8650   2.0060 0.6646000 2.762000 
1 1 1   36   16   20 o   5.6210   1.3420   4.7890   1.8420   6.4530   1.9510 -1.665000 2.683000 
1 1 1   36   16   21 o   4.2390   1.2640   4.7710   1.8710   3.7070   1.6990 1.064000 2.527000 
1 1 1   36   16   22 o   3.8530   1.2050   3.4090   1.5820   4.2970   1.8180 -0.8880000 2.410000 
1 1 1   36   16   23 o   3.4110   1.1260   3.6600   1.6660   3.1610   1.5140 0.4986000 2.251000 
1 1 1   36   16   24 o   2.9790   1.0590   2.7560   1.4000   3.2010   1.5880 -0.4449000 2.117000 
1 1 1   36   16   25 o   3.0700   1.0450   2.8390   1.3900   3.3010   1.5610 -0.4626000 2.091000 
1 1 1   36   16   26 o   2.3300   0.8378   2.4630   1.2340   2.1960   1.1340 0.2668000 1.676000 
1 1 1   36   18    0 o   13.920   0.5985   14.500   0.7911   13.350   0.8985 1.154000 1.197000 
1 1 1   36   18    1 o   28.820   0.3752   28.390   0.5257   29.250   0.5354 -0.8606000 0.7504000 
1 1 1   36   18    2 o   17.730   0.4394   17.450   0.6051   18.000   0.6373 -0.5505000 0.8788000 
1 1 1   36   18    3 o   14.780   0.5095   13.330   0.7479   16.240   0.6922 -2.917000 1.019000 
1 1 1   36   18    4 o   11.770   0.6377   11.110   0.8957   12.420   0.9079 -1.311000 1.275000 
1 1 1   36   18    5 o   10.210   0.7422   10.140   0.9979   10.270   1.0990 -0.1255000 1.484000 
1 1 1   36   18    6 o   12.490   0.6051   11.760   0.8639   13.230   0.8476 -1.469000 1.210000 
1 1 1   36   18    7 o   5.3610   1.2920   4.4310   1.6650   6.2900   1.9780 -1.859000 2.585000 
1 1 1   36   18    8 o   8.8570   1.1070   8.3740   1.5780   9.3400   1.5520 -0.9658000 2.214000 
1 1 1   36   18    9 f   12.360   0.6541   11.330   0.9585   13.390   0.8904 -2.057000 1.308000 
1 1 1   36   18   10 o   16.980   0.5241   17.170   0.7323   16.780   0.7500 0.3854000 1.048000 
1 1 1   36   18   11 o   14.520   0.5930   14.920   0.7858   14.110   0.8884 0.8141000 1.186000 
1 1 1   36   18   12 o   5.0080   1.2700   4.9350   1.7530   5.0800   1.8380 -0.1450000 2.540000 
1 1 1   36   18   13 o   15.040   0.5949   14.680   0.8275   15.400   0.8549 -0.7168000 1.190000 
1 1 1   36   18   14 o   16.660   0.6584   17.300   0.8221   16.020   1.0290 1.281000 1.317000 
1 1 1   36   18   15 o   4.7180   1.2660   5.3910   1.8320   4.0460   1.7470 1.345000 2.532000 
1 1 1   36   18   16 o   4.8830   1.2240   6.4230   1.8690   3.3430   1.5800 3.080000 2.448000 
1 1 1   36   18   17 o   5.9320   1.2470   3.8350   1.7090   8.0280   1.8170 -4.193000 2.494000 
1 1 1   36   18   18 o   4.8550   1.3270   4.3580   1.7900   5.3530   1.9610 -0.9947000 2.655000 
1 1 1   36   18   19 o   3.5250   1.1470   3.0870   1.4730   3.9630   1.7590 -0.8757000 2.295000 
1 1 1   36   18   20 o   4.7780   1.3190   5.5720   1.9550   3.9840   1.7720 1.588000 2.638000 
1 1 1   36   18   21 o   3.6310   1.1650   4.1560   1.7820   3.1070   1.5000 1.049000 2.330000 
1 1 1   36   18   22 o   2.5220   0.9020   2.5350   1.2820   2.5090   1.2700 0.2597000E-01 1.804000 
1 1 1   36   18   23 o   2.7380   0.9811   2.7470   1.3910   2.7290   1.3840 0.1793000E-01 1.962000 
1 1 1   36   18   24 o   2.1140   0.7614   2.1010   1.0710   2.1270   1.0830 -0.2542000E-01 1.523000 
1 1 1   36   20    0 o   18.360   0.4390   17.890   0.6056   18.820   0.6357 -0.9373000 0.8780000 
1 1 1   36   20    1 o   15.540   0.5021   15.710   0.6673   15.370   0.7505 0.3365000 1.004000 
1 1 1   36   20    2 o   3.8480   1.1390   3.7600   1.5700   3.9350   1.6500 -0.1745000 2.277000 
1 1 1   36   20    3 o   5.0520   1.2040   4.8600   1.6640   5.2430   1.7400 -0.3824000 2.408000 
1 1 1   36   20    4 o   5.9770   1.0370   8.1270   1.2620   3.8270   1.6460 4.300000 2.074000 
1 1 1   36   20    5 o   7.8680   1.2480   7.6890   1.7060   8.0470   1.8220 -0.3580000 2.496000 
1 1 1   36   20    6 o   12.640   0.8138   11.930   1.1510   13.340   1.1510 -1.407000 1.628000 
1 1 1   36   20    7 o   16.190   0.5250   16.170   0.6922   16.210   0.7896 -0.4171000E-01 1.050000 
1 1 1   36   20    8 o   23.640   0.4013   23.480   0.5397   23.800   0.5941 -0.3233000 0.8027000 
1 1 1   36   20    9 o   9.7350   0.8957   10.170   1.1110   9.2980   1.4050 0.8741000 1.791000 
1 1 1   36   20   10 o   6.8590   1.2010   6.4270   1.6940   7.2910   1.7050 -0.8641000 2.403000 
1 1 1   36   20   11 o   8.3060   1.0460   8.5740   1.3370   8.0390   1.6080 0.5347000 2.091000 
1 1 1   36   20   12 o   11.000   0.9825   12.300   1.1080   9.6980   1.6230 2.602000 1.965000 
1 1 1   36   20   13 o   5.5240   1.4200   5.7590   1.9570   5.2890   2.0580 0.4701000 2.840000 
1 1 1   36   20   14 o   5.0790   1.3680   5.3460   1.9340   4.8120   1.9340 0.5341000 2.735000 
1 1 1   36   20   15 o   6.8800   1.3400   5.4000   1.9650   8.3600   1.8240 -2.960000 2.681000 
1 1 1   36   20   16 o   4.8080   1.1970   6.3480   1.8240   3.2670   1.5520 3.080000 2.395000 
1 1 1   36   20   17 o   7.1140   1.2960   8.3210   1.6110   5.9070   2.0320 2.414000 2.593000 
1 1 1   36   20   18 o   3.2660   1.0910   3.0010   1.4450   3.5300   1.6350 -0.5290000 2.182000 
1 1 1   36   20   19 o   4.5020   1.2780   3.6400   1.6540   5.3630   1.9480 -1.723000 2.556000 
1 1 1   36   20   20 o   4.8810   1.4170   4.8030   1.9850   4.9590   2.0240 -0.1561000 2.835000 
1 1 1   36   20   21 o   3.0080   1.0470   3.1470   1.5300   2.8690   1.4290 0.2787000 2.094000 
1 1 1   36   20   22 o   3.1790   1.0870   2.9660   1.4570   3.3930   1.6150 -0.4270000 2.175000 
1 1 1   36   20   23 o   2.2160   0.8054   2.4280   1.2420   2.0050   1.0250 0.4229000 1.611000 
1 1 1   36   22    0 o   6.1960   1.3670   6.1390   1.8970   6.2530   1.9680 -0.1143000 2.734000 
1 1 1   36   22    1 o   6.9870   1.3510   6.4600   1.9020   7.5150   1.9210 -1.054000 2.703000 
1 1 1   36   22    2 o   10.070   1.0700   11.650   1.1510   8.4830   1.8030 3.165000 2.139000 
1 1 1   36   22    3 o   15.710   0.5970   16.000   0.8774   15.420   0.8099 0.5816000 1.194000 
1 1 1   36   22    4 o   10.670   0.7826   11.590   0.9410   9.7520   1.2510 1.839000 1.565000 
1 1 1   36   22    5 o   6.8750   1.1940   6.9130   1.5960   6.8380   1.7760 0.7482000E-01 2.387000 
1 1 1   36   22    6 o   4.8860   1.1640   3.2600   1.4870   6.5120   1.7920 -3.253000 2.328000 
1 1 1   36   22    7 o   13.050   0.6446   13.260   0.8539   12.840   0.9658 0.4207000 1.289000 
1 1 1   36   22    8 f   11.740   0.7469   11.580   1.0210   11.900   1.0910 -0.3196000 1.494000 
1 1 1   36   22    9 o   3.9510   1.1990   3.8270   1.6470   4.0750   1.7430 -0.2477000 2.398000 
1 1 1   36   22   10 o   5.6350   1.3970   3.7970   1.7520   7.4730   2.1760 -3.675000 2.793000 
1 1 1   36   22   11 o   5.6310   1.4630   4.4420   1.9340   6.8210   2.1970 -2.378000 2.927000 
1 1 1   36   22   12 o   9.8230   1.0710   9.3500   1.5530   10.300   1.4750 -0.9464000 2.142000 
1 1 1   36   22   13 o   11.530   0.8050   11.500   1.0940   11.560   1.1810 -0.6716000E-01 1.610000 
1 1 1   36   22   14 o   6.3610   1.2800   4.7810   1.8440   7.9410   1.7770 -3.160000 2.560000 
1 1 1   36   22   15 o   4.2950   1.2520   3.3080   1.5510   5.2810   1.9670 -1.973000 2.505000 
1 1 1   36   22   16 o   3.7980   1.2050   3.9500   1.7360   3.6460   1.6700 0.3040000 2.409000 
1 1 1   36   22   17 o   3.3660   1.1090   3.7620   1.6830   2.9710   1.4460 0.7902000 2.218000 
1 1 1   36   22   18 o   4.8150   1.3990   4.7910   1.9690   4.8380   1.9880 -0.4627000E-01 2.798000 
1 1 1   36   22   19 o   3.1530   1.0830   3.1620   1.5270   3.1440   1.5360 0.1839000E-01 2.166000 
1 1 1   36   22   20 o   2.9820   1.0360   2.6670   1.3350   3.2960   1.5840 -0.6287000 2.071000 
1 1 1   36   22   21 o   2.3840   0.8531   2.5500   1.2820   2.2190   1.1260 0.3310000 1.706000 
1 1 1   36   24    0 o   4.1450   1.1750   3.1660   1.4630   5.1250   1.8380 -1.960000 2.350000 
1 1 1   36   24    1 o   7.4940   1.1360   7.9390   1.4520   7.0490   1.7470 0.8897000 2.272000 
1 1 1   36   24    2 f   4.0170   1.1770   4.6000   1.7500   3.4350   1.5730 1.165000 2.353000 
1 1 1   36   24    3 o   4.1380   1.1820   3.1270   1.4560   5.1490   1.8620 -2.022000 2.364000 
1 1 1   36   24    4 o   3.8970   1.1860   3.9570   1.6710   3.8370   1.6830 0.1205000 2.372000 
1 1 1   36   24    5 o   11.030   0.8926   11.930   1.1300   10.130   1.3820 1.791000 1.785000 
1 1 1   36   24    6 o   4.0450   1.2440   3.7690   1.6880   4.3210   1.8290 -0.5525000 2.489000 
1 1 1   36   24    7 o   4.4050   1.3520   4.7350   1.9610   4.0740   1.8610 0.6609000 2.703000 
1 1 1   36   24    8 o   8.1790   1.3110   9.3630   1.4790   6.9950   2.1650 2.367000 2.622000 
1 1 1   36   24    9 o   3.3790   1.1000   3.6310   1.6220   3.1260   1.4860 0.5051000 2.200000 
1 1 1   36   24   10 o   3.7470   1.1760   3.6490   1.6290   3.8450   1.6970 -0.1963000 2.352000 
1 1 1   36   24   11 o   5.2780   1.2110   3.3850   1.5630   7.1700   1.8510 -3.784000 2.423000 
1 1 1   36   24   12 o   5.4210   1.3050   3.9700   1.7280   6.8720   1.9570 -2.902000 2.610000 
1 1 1   36   24   13 f   3.9480   1.1870   4.9590   1.8890   2.9370   1.4370 2.021000 2.374000 
1 1 1   36   24   14 o   4.7230   1.3000   3.7080   1.6730   5.7390   1.9890 -2.031000 2.600000 
1 1 1   36   24   15 o   3.3130   1.1270   3.9100   1.7810   2.7160   1.3800 1.194000 2.253000 
1 1 1   36   24   16 o   3.7790   1.2300   3.4190   1.6230   4.1400   1.8480 -0.7209000 2.460000 
1 1 1   36   24   17 o   3.0530   1.0370   3.0580   1.4640   3.0480   1.4700 0.1025000E-01 2.075000 
1 1 1   36   24   18 o   2.0120   0.7305   1.9550   1.0020   2.0690   1.0630 -0.1142000 1.461000 
1 1 1   36   24   19 o   2.0150   0.7413   2.0040   1.0430   2.0260   1.0540 -0.2258000E-01 1.483000 
1 1 1   36   26    0 o   9.1360   1.0220   9.3150   1.3240   8.9570   1.5560 0.3576000 2.043000 
1 1 1   36   26    1 o   5.7290   1.2770   6.8230   1.7440   4.6340   1.8660 2.188000 2.554000 
1 1 1   36   26    2 o   4.0490   1.2490   4.5530   1.8680   3.5450   1.6580 1.008000 2.498000 
1 1 1   36   26    3 o   9.3510   1.1460   9.6800   1.5200   9.0210   1.7140 0.6585000 2.291000 
1 1 1   36   26    4 f   9.5880   1.1220   8.8860   1.6610   10.290   1.5090 -1.404000 2.244000 
1 1 1   36   26    5 o   4.2500   1.2320   5.4200   1.9520   3.0800   1.5020 2.340000 2.463000 
1 1 1   36   26    6 o   5.8450   1.3250   5.1680   1.8660   6.5210   1.8810 -1.353000 2.649000 
1 1 1   36   26    7 o   5.1200   1.3280   4.7820   1.8260   5.4570   1.9270 -0.6746000 2.655000 
1 1 1   36   26    8 o   3.4450   1.1180   2.9710   1.4260   3.9190   1.7220 -0.9473000 2.236000 
1 1 1   36   26    9 o   4.1420   1.1940   5.1910   1.8660   3.0940   1.4890 2.097000 2.388000 
1 1 1   36   26   10 o   6.7610   1.3420   6.8900   1.8150   6.6330   1.9760 0.2575000 2.683000 
1 1 1   36   26   11 o   2.9170   1.0180   3.1640   1.5310   2.6700   1.3420 0.4947000 2.036000 
1 1 1   36   26   12 o   3.1910   1.0920   3.4230   1.6260   2.9590   1.4580 0.4632000 2.184000 
1 1 1   36   26   13 o   2.8690   1.0060   2.6700   1.3370   3.0680   1.5040 -0.3979000 2.012000 
1 1 1   36   26   14 o   2.7070   0.9445   2.2850   1.1540   3.1290   1.4960 -0.8434000 1.889000 
1 1 1   36   26   15 o   2.5820   0.9062   3.0010   1.4400   2.1620   1.1000 0.8387000 1.812000 
1 1 1   36   26   16 o   3.0120   1.0360   2.8380   1.3800   3.1860   1.5440 -0.3481000 2.071000 
1 1 1   36   28    0 o   5.6670   1.3260   6.1660   1.8210   5.1670   1.9280 0.9997000 2.652000 
1 1 1   36   28    1 o   5.6040   1.3430   5.6480   1.8620   5.5610   1.9370 0.8693000E-01 2.687000 
1 1 1   36   28    2 o   2.8050   0.9658   3.1680   1.4920   2.4410   1.2270 0.7263000 1.932000 
1 1 1   36   28    3 o   6.1190   1.3630   6.3820   1.8620   5.8550   1.9890 0.5270000 2.725000 
1 1 1   36   28    4 o   3.3990   1.1190   3.3160   1.5500   3.4810   1.6140 -0.1650000 2.237000 
1 1 1   36   28    5 o   3.5520   1.1100   4.6440   1.8440   2.4590   1.2350 2.185000 2.219000 
1 1 1   36   28    6 o   4.2090   1.2600   5.2270   1.9920   3.1910   1.5450 2.036000 2.521000 
1 1 1   36   28    7 o   4.3300   1.2490   5.6580   2.0180   3.0010   1.4720 2.658000 2.498000 
1 1 1   36   28    8 o   4.7630   1.2990   6.1140   2.0390   3.4120   1.6110 2.702000 2.598000 
1 1 1   36   28    9 o   3.3570   1.0900   2.6840   1.3200   4.0290   1.7340 -1.345000 2.180000 
1 1 1   36   28   10 o   3.2120   1.0670   3.2850   1.5280   3.1380   1.4890 0.1470000 2.134000 
1 1 1   36   28   11 o   2.6030   0.9081   3.0800   1.4600   2.1250   1.0800 0.9560000 1.816000 
1 1 1   36   28   12 o   2.3270   0.8294   2.6710   1.3120   1.9820   1.0140 0.6893000 1.659000 
1 1 1   36   30    0 o   3.1080   1.0390   2.7820   1.3520   3.4350   1.5780 -0.6530000 2.078000 
1 1 1   36   30    1 o   2.5020   0.8793   2.4290   1.2100   2.5750   1.2760 -0.1465000 1.759000 
1 1 1   36   30    2 o   3.5590   1.1380   3.6090   1.6150   3.5090   1.6030 0.9955000E-01 2.276000 
1 1 1   36   30    3 o   3.2380   1.0650   2.6950   1.3210   3.7820   1.6710 -1.087000 2.131000 
1 1 1   36   30    4 o   3.2820   1.0800   3.0310   1.4450   3.5330   1.6060 -0.5012000 2.161000 
1 1 1   36   30    5 o   4.0580   1.2230   4.1890   1.7550   3.9270   1.7030 0.2621000 2.445000 
1 1 1   36   30    6 o   2.7090   0.9390   2.9000   1.3990   2.5190   1.2530 0.3811000 1.878000 
1 1 1   36   30    7 o   2.7480   0.9486   2.5670   1.2680   2.9300   1.4110 -0.3628000 1.897000 
1 1 1   37    1    0 o   29.400   0.2622   29.410   0.3718   29.390   0.3699 0.2261000E-01 0.5245000 
1 1 1   37    1    1 o   15.110   0.4248   14.240   0.5575   15.980   0.6411 -1.743000 0.8496000 
1 1 1   37    1    2 o   47.880   0.3333   47.930   0.4724   47.830   0.4703 0.1065000 0.6666000 
1 1 1   37    1    3 o   18.520   0.4485   18.510   0.6977   18.520   0.5636 -0.7698000E-02 0.8969000 
1 1 1   37    1    4 o   33.510   0.4453   33.520   0.6279   33.490   0.6315 0.3120000E-01 0.8905000 
1 1 1   37    1    5 f   39.410   0.3702   39.600   0.5182   39.210   0.5289 0.3963000 0.7405000 
1 1 1   37    1    6 o   11.150   0.6205   11.420   0.8601   10.890   0.8946 0.5285000 1.241000 
1 1 1   37    1    7 o   12.340   0.5908   12.970   0.7940   11.710   0.8750 1.256000 1.182000 
1 1 1   37    1    8 o   11.360   0.6591   11.660   0.9084   11.060   0.9551 0.6063000 1.318000 
1 1 1   37    1    9 o   30.920   0.3315   30.590   0.4712   31.240   0.4666 -0.6483000 0.6631000 
1 1 1   37    1   10 o   21.940   0.3869   22.010   0.5522   21.870   0.5419 0.1462000 0.7737000 
1 1 1   37    1   11 o   5.8860   1.1950   6.2910   1.6410   5.4810   1.7370 0.8107000 2.390000 
1 1 1   37    1   12 o   13.880   0.5604   14.510   0.7459   13.250   0.8367 1.253000 1.121000 
1 1 1   37    1   13 o   4.8360   1.3420   4.9580   1.9170   4.7140   1.8780 0.2449000 2.683000 
1 1 1   37    1   14 o   16.990   0.5296   17.440   0.7514   16.540   0.7465 0.9009000 1.059000 
1 1 1   37    1   15 o   8.4470   0.8894   8.9180   1.1540   7.9760   1.3530 0.9421000 1.779000 
1 1 1   37    1   16 o   16.310   0.4671   15.460   0.6777   17.160   0.6429 -1.705000 0.9342000 
1 1 1   37    1   17 o   6.8850   1.0880   7.0230   1.5060   6.7470   1.5710 0.2763000 2.176000 
1 1 1   37    1   18 o   5.6430   1.4820   5.7610   2.1060   5.5240   2.0870 0.2374000 2.965000 
1 1 1   37    1   19 o   3.1160   1.0340   3.5280   1.5750   2.7050   1.3400 0.8226000 2.068000 
1 1 1   37    1   20 o   5.1580   1.2260   4.8960   1.7180   5.4210   1.7500 -0.5248000 2.452000 
1 1 1   37    1   21 o   7.2920   1.0520   5.1810   1.7480   9.4030   1.1730 -4.222000 2.105000 
1 1 1   37    1   22 o   4.2630   1.1750   5.1370   1.7790   3.3900   1.5360 1.747000 2.350000 
1 1 1   37    1   23 o   3.4940   1.1130   3.4170   1.5410   3.5700   1.6050 -0.1530000 2.225000 
1 1 1   37    1   24 o   5.2160   1.3280   5.2470   1.8560   5.1850   1.8990 0.6134000E-01 2.655000 
1 1 1   37    1   25 o   3.5570   1.1500   3.4430   1.5900   3.6700   1.6630 -0.2269000 2.300000 
1 1 1   37    1   26 o   7.9170   1.5390   8.9120   2.0820   6.9220   2.2680 1.990000 3.079000 
1 1 1   37    1   27 o   3.7150   1.1880   3.0960   1.4870   4.3330   1.8520 -1.238000 2.375000 
1 1 1   37    1   28 o   3.7120   1.1940   3.6270   1.6610   3.7960   1.7160 -0.1687000 2.388000 
1 1 1   37    1   29 o   2.7860   0.9693   2.8780   1.4060   2.6940   1.3340 0.1835000 1.939000 
1 1 1   37    1   30 o   2.8850   1.0240   2.7390   1.3820   3.0310   1.5120 -0.2926000 2.049000 
1 1 1   37    3    0 o   12.080   0.6354  ?   ?    12.080   0.6354      ?      ? 
1 1 1   37    3    1 o   30.180   0.3041   29.810   0.4336   30.550   0.4265 -0.7332000 0.6082000 
1 1 1   37    3    2 o   60.720   0.4634   60.410   0.6532   61.030   0.6575 -0.6217000 0.9268000 
1 1 1   37    3    3 o   57.270   0.3856   57.220   0.5460   57.320   0.5448 -0.9390000E-01 0.7713000 
1 1 1   37    3    4 o   43.280   0.3241   43.250   0.4575   43.310   0.4593 -0.6044000E-01 0.6482000 
1 1 1   37    3    5 o   29.820   0.3721   29.840   0.5065   29.810   0.5451 0.2756000E-01 0.7441000 
1 1 1   37    3    6 o   10.990   0.6524   10.640   0.9393   11.350   0.9056 -0.7055000 1.305000 
1 1 1   37    3    7 o   38.320   0.3221   38.290   0.4516   38.360   0.4593 -0.7378000E-01 0.6441000 
1 1 1   37    3    8 o   3.4190   1.0500   4.0650   1.6350   2.7730   1.3180 1.292000 2.100000 
1 1 1   37    3    9 o   17.060   0.4604   16.810   0.6535   17.320   0.6487 -0.5066000 0.9208000 
1 1 1   37    3   10 o   11.770   0.6432   10.980   0.9579   12.570   0.8586 -1.589000 1.286000 
1 1 1   37    3   11 o   14.330   0.5321   14.400   0.7538   14.250   0.7511 0.1453000 1.064000 
1 1 1   37    3   12 o   8.0640   1.0530   5.9190   1.7420   10.210   1.1840 -4.290000 2.107000 
1 1 1   37    3   13 o   5.0790   1.2280   5.4190   1.6950   4.7380   1.7780 0.6805000 2.456000 
1 1 1   37    3   14 o   6.3270   1.2370   7.2740   1.7110   5.3810   1.7870 1.893000 2.474000 
1 1 1   37    3   15 o   14.660   0.5158   15.390   0.6852   13.930   0.7710 1.455000 1.032000 
1 1 1   37    3   16 o   6.2490   1.1060   7.5210   1.3920   4.9770   1.7190 2.544000 2.212000 
1 1 1   37    3   17 o   4.0770   1.2180   4.3640   1.8030   3.7910   1.6380 0.5726000 2.436000 
1 1 1   37    3   18 o   3.4520   1.1100   3.1190   1.4870   3.7850   1.6480 -0.6655000 2.220000 
1 1 1   37    3   19 o   4.5800   1.2660   3.5370   1.5880   5.6230   1.9730 -2.086000 2.533000 
1 1 1   37    3   20 o   4.1970   1.1590   4.7520   1.6940   3.6420   1.5820 1.110000 2.318000 
1 1 1   37    3   21 o   8.4810   0.9373   7.8550   1.4000   9.1070   1.2460 -1.253000 1.875000 
1 1 1   37    3   22 o   3.3300   1.0720   3.1410   1.4490   3.5180   1.5800 -0.3768000 2.144000 
1 1 1   37    3   23 o   4.8880   1.2600   5.4620   1.7930   4.3140   1.7710 1.149000 2.520000 
1 1 1   37    3   24 o   3.4490   1.1140   3.2150   1.5020   3.6830   1.6450 -0.4676000 2.227000 
1 1 1   37    3   25 o   4.9670   1.3550   5.4050   1.9620   4.5280   1.8690 0.8765000 2.710000 
1 1 1   37    3   26 o   3.6750   1.2400   3.6010   1.7250   3.7490   1.7820 -0.1476000 2.480000 
1 1 1   37    3   27 o   3.5090   1.1560   2.9530   1.4580   4.0650   1.7940 -1.112000 2.311000 
1 1 1   37    3   28 f   3.5520   1.1590   3.7270   1.6860   3.3770   1.5920 0.3505000 2.318000 
1 1 1   37    3   29 o   3.0830   1.0480   2.6990   1.3350   3.4670   1.6170 -0.7689000 2.097000 
1 1 1   37    3   30 o   3.1380   1.1010   3.2800   1.6130   2.9960   1.4990 0.2833000 2.202000 
1 1 1   37    5    0 o   11.810   0.6873   9.5090   0.8719   14.110   1.0630 -4.605000 1.375000 
1 1 1   37    5    1 o   57.420   0.4449   57.590   0.6287   57.260   0.6295 0.3294000 0.8897000 
1 1 1   37    5    2 o   34.640   0.2887   34.480   0.4076   34.800   0.4089 -0.3240000 0.5773000 
1 1 1   37    5    3 f   10.950   0.6032   11.900   0.8644   9.9950   0.8416 1.904000 1.206000 
1 1 1   37    5    4 o   41.390   0.3210   41.890   0.4559   40.880   0.4519 1.009000 0.6420000 
1 1 1   37    5    5 o   13.260   0.6792   14.460   0.7870   12.060   1.1070 2.400000 1.358000 
1 1 1   37    5    6 o   22.340   0.4476   23.240   0.5751   21.430   0.6860 1.815000 0.8952000 
1 1 1   37    5    7 o   24.980   0.3935   24.200   0.4809   25.770   0.6229 -1.577000 0.7869000 
1 1 1   37    5    8 o   32.640   0.3266   32.350   0.4541   32.920   0.4694 -0.5734000 0.6531000 
1 1 1   37    5    9 o   6.6430   1.1430   6.5490   1.6170   6.7370   1.6150 -0.1877000 2.286000 
1 1 1   37    5   10 o   18.720   0.4341   18.690   0.6018   18.750   0.6257 -0.5861000E-01 0.8681000 
1 1 1   37    5   11 o   15.480   0.5528   15.040   0.7544   15.920   0.8082 -0.8802000 1.106000 
1 1 1   37    5   12 o   16.360   0.5535   15.480   0.7214   17.230   0.8397 -1.747000 1.107000 
1 1 1   37    5   13 o   8.8040   1.0700   10.790   0.9618   6.8210   1.9120 3.964000 2.140000 
1 1 1   37    5   14 o   11.510   0.8991   11.670   1.0780   11.340   1.4400 0.3278000 1.798000 
1 1 1   37    5   15 o   2.9080   0.9846   2.6880   1.2870   3.1290   1.4910 -0.4411000 1.969000 
1 1 1   37    5   16 o   7.6690   1.2120   6.2110   1.8500   9.1260   1.5670 -2.915000 2.424000 
1 1 1   37    5   17 o   5.8230   1.3350   5.7590   1.8340   5.8880   1.9410 -0.1289000 2.671000 
1 1 1   37    5   18 o   3.1960   1.0600   2.8910   1.3580   3.5010   1.6290 -0.6099000 2.121000 
1 1 1   37    5   19 f   16.350   0.8386   16.380   0.7334   16.320   1.5080 0.6244000E-01 1.677000 
1 1 1   37    5   20 o   15.190   0.6196   15.680   0.7031   14.690   1.0200 0.9838000 1.239000 
1 1 1   37    5   21 o   4.8810   1.3250   4.2920   1.6890   5.4700   2.0420 -1.177000 2.650000 
1 1 1   37    5   22 o   5.1910   1.3640   4.8150   1.7480   5.5670   2.0950 -0.7518000 2.728000 
1 1 1   37    5   23 o   4.3720   1.2290   5.2530   1.7990   3.4920   1.6770 1.761000 2.459000 
1 1 1   37    5   24 o   6.2690   1.2610   8.0480   1.5370   4.4910   1.9990 3.557000 2.521000 
1 1 1   37    5   25 o   3.4060   1.1590   3.1440   1.5120   3.6670   1.7580 -0.5231000 2.319000 
1 1 1   37    5   26 o   3.7350   1.2600   3.7440   1.7290   3.7270   1.8330 0.1695000E-01 2.520000 
1 1 1   37    5   27 o   4.0820   1.3210   4.1530   1.8620   4.0110   1.8750 0.1419000 2.643000 
1 1 1   37    5   28 o   3.6670   1.2000   3.9910   1.7580   3.3430   1.6330 0.6473000 2.400000 
1 1 1   37    5   29 o   2.8150   0.9975   2.8200   1.4070   2.8100   1.4140 0.1001000E-01 1.995000 
1 1 1   37    5   30 o   2.5510   1.2850   2.5510   1.2850  ?   ?       ?      ? 
1 1 1   37    7    0 o   24.520   0.3459   24.720   0.4853   24.320   0.4929 0.3964000 0.6917000 
1 1 1   37    7    1 o   23.310   0.3343   23.870   0.3944   22.750   0.5398 1.119000 0.6686000 
1 1 1   37    7    2 o   23.360   0.3396   23.810   0.4079   22.910   0.5432 0.8974000 0.6793000 
1 1 1   37    7    3 o   38.600   0.4345   38.600   0.4345  ?   ?       ?      ? 
1 1 1   37    7    4 o   41.280   0.3820   41.430   0.4587   41.140   0.6111 0.2834000 0.7641000 
1 1 1   37    7    5 o   4.9000   1.3870   4.8400   1.7670   4.9590   2.1380 -0.1184000 2.774000 
1 1 1   37    7    6 o   26.490   0.3828   26.260   0.4665   26.720   0.6072 -0.4614000 0.7656000 
1 1 1   37    7    7 o   4.3160   1.2090   4.3860   1.6480   4.2450   1.7700 0.1408000 2.418000 
1 1 1   37    7    8 o   13.470   0.6326   13.330   0.7852   13.600   0.9921 -0.2627000 1.265000 
1 1 1   37    7    9 o   11.760   0.7277   10.980   1.0010   12.530   1.0560 -1.547000 1.455000 
1 1 1   37    7   10 o   18.760   0.5050   18.670   0.6396   18.850   0.7817 -0.1831000 1.010000 
1 1 1   37    7   11 o   8.2450   1.0480   7.9600   1.3750   8.5290   1.5820 -0.5685000 2.096000 
1 1 1   37    7   12 f   12.780   0.7354   13.500   0.9134   12.060   1.1530 1.440000 1.471000 
1 1 1   37    7   13 f   3.7490   1.1660   3.3200   1.4890   4.1780   1.7940 -0.8587000 2.332000 
1 1 1   37    7   14 o   21.470   0.5040   21.850   0.6641   21.080   0.7583 0.7669000 1.008000 
1 1 1   37    7   15 o   5.1550   1.2940   4.9740   1.8250   5.3350   1.8350 -0.3609000 2.588000 
1 1 1   37    7   16 o   8.8250   1.0200   9.9090   1.2530   7.7410   1.6090 2.169000 2.039000 
1 1 1   37    7   17 o   12.620   0.6141   12.050   0.8675   13.200   0.8693 -1.158000 1.228000 
1 1 1   37    7   18 o   10.650   0.8789   9.5300   1.2470   11.760   1.2390 -2.230000 1.758000 
1 1 1   37    7   19 o   13.690   0.7309   15.100   0.8042   12.280   1.2210 2.824000 1.462000 
1 1 1   37    7   20 o   4.5590   1.1900   3.6090   1.5730   5.5100   1.7860 -1.900000 2.380000 
1 1 1   37    7   21 o   10.680   0.7691   10.800   1.0300   10.570   1.1430 0.2277000 1.538000 
1 1 1   37    7   22 o   3.1930   1.0500   2.5750   1.2660   3.8120   1.6760 -1.237000 2.100000 
1 1 1   37    7   23 o   5.1710   1.3150   4.7110   1.7850   5.6300   1.9300 -0.9195000 2.629000 
1 1 1   37    7   24 o   5.1230   1.3850   5.5050   1.9540   4.7410   1.9620 0.7645000 2.769000 
1 1 1   37    7   25 o   3.8110   1.2230   3.9390   1.7410   3.6840   1.7180 0.2553000 2.446000 
1 1 1   37    7   26 o   3.4810   1.1720   3.2120   1.5610   3.7510   1.7490 -0.5394000 2.344000 
1 1 1   37    7   27 o   3.4400   1.1390   3.3650   1.5830   3.5160   1.6390 -0.1512000 2.279000 
1 1 1   37    7   28 o   2.8670   0.9909   2.5900   1.2920   3.1440   1.5030 -0.5537000 1.982000 
1 1 1   37    7   29 o   2.3080   0.8328   2.4050   1.2220   2.2110   1.1310 0.1936000 1.666000 
1 1 1   37    9    0 o   24.770   0.4426   24.770   0.4426  ?   ?       ?      ? 
1 1 1   37    9    1 o   44.710   0.3898   45.780   0.4676   43.640   0.6237 2.146000 0.7795000 
1 1 1   37    9    2 o   21.440   0.4575   21.440   0.4575  ?   ?       ?      ? 
1 1 1   37    9    3 o   40.140   0.4071   41.370   0.4512   38.910   0.6777 2.457000 0.8141000 
1 1 1   37    9    4 o   18.410   0.5062   19.470   0.6145   17.350   0.8045 2.119000 1.012000 
1 1 1   37    9    5 o   23.570   0.4316   22.960   0.5681   24.190   0.6500 -1.230000 0.8632000 
1 1 1   37    9    6 o   28.780   0.3330   28.840   0.4622   28.710   0.4795 0.1291000 0.6660000 
1 1 1   37    9    7 o   10.380   0.7731   10.150   1.0640   10.600   1.1220 -0.4494000 1.546000 
1 1 1   37    9    8 o   35.600   0.3663   35.250   0.5001   35.950   0.5354 -0.6970000 0.7327000 
1 1 1   37    9    9 o   35.450   0.3370   34.860   0.4721   36.040   0.4810 -1.184000 0.6740000 
1 1 1   37    9   10 o   7.1930   1.0640   6.2400   1.6380   8.1460   1.3600 -1.906000 2.129000 
1 1 1   37    9   11 o   16.400   0.4699   16.060   0.6603   16.730   0.6686 -0.6741000 0.9397000 
1 1 1   37    9   12 o   3.2400   1.0410   3.0230   1.4040   3.4570   1.5390 -0.4341000 2.083000 
1 1 1   37    9   13 o   8.0950   1.1430   8.0510   1.6750   8.1390   1.5550 -0.8844000E-01 2.285000 
1 1 1   37    9   14 o   4.5280   1.3620   4.4890   1.9770   4.5670   1.8750 -0.7799000E-01 2.725000 
1 1 1   37    9   15 o   7.9260   1.0930   7.2850   1.6370   8.5670   1.4490 -1.282000 2.186000 
1 1 1   37    9   16 o   12.100   0.6187   11.970   0.8483   12.230   0.9008 -0.2633000 1.237000 
1 1 1   37    9   17 o   5.7550   1.2150   4.5530   1.6700   6.9570   1.7650 -2.405000 2.430000 
1 1 1   37    9   18 o   6.4610   1.3090   6.8650   1.6840   6.0570   2.0050 0.8082000 2.619000 
1 1 1   37    9   19 o   3.6970   1.1070   4.3870   1.7010   3.0080   1.4160 1.379000 2.213000 
1 1 1   37    9   20 o   7.3240   1.0890   8.1320   1.3280   6.5160   1.7260 1.616000 2.178000 
1 1 1   37    9   21 o   8.5760   1.0120   8.5810   1.3880   8.5710   1.4740 0.1018000E-01 2.025000 
1 1 1   37    9   22 o   6.8760   1.2310   7.8780   1.5400   5.8730   1.9220 2.006000 2.463000 
1 1 1   37    9   23 o   4.3510   1.3070   4.4300   1.8280   4.2720   1.8680 0.1584000 2.613000 
1 1 1   37    9   24 o   5.8170   1.4200   6.2980   1.9790   5.3370   2.0380 0.9604000 2.840000 
1 1 1   37    9   25 o   3.2090   1.0820   3.4340   1.5980   2.9840   1.4570 0.4499000 2.163000 
1 1 1   37    9   26 o   3.4590   1.1660   3.6100   1.6950   3.3090   1.6030 0.3015000 2.332000 
1 1 1   37    9   27 f   5.2030   1.3780   5.2370   1.9330   5.1700   1.9640 0.6686000E-01 2.756000 
1 1 1   37    9   28 o   2.9890   1.0420   3.1700   1.5470   2.8080   1.3980 0.3620000 2.085000 
1 1 1   37    9   29 o   2.6200   0.9298   2.6820   1.3400   2.5580   1.2900 0.1236000 1.860000 
1 1 1   37   11    0 o   68.100   0.4935   67.000   0.6279   69.200   0.7615 -2.201000 0.9869000 
1 1 1   37   11    1 o   24.930   0.5004   23.070   0.4749   26.790   0.8810 -3.719000 1.001000 
1 1 1   37   11    2 o   14.670   0.7806   14.350   0.6561   15.000   1.4170 -0.6461000 1.561000 
1 1 1   37   11    3 o   39.980   0.5016   40.570   0.6305   39.390   0.7802 1.179000 1.003000 
1 1 1   37   11    4 o   27.780   0.6851   28.180   0.5886   27.380   1.2370 0.7956000 1.370000 
1 1 1   37   11    5 o   36.660   0.6091   36.320   0.5013   37.000   1.1100 -0.6770000 1.218000 
1 1 1   37   11    6 o   38.500   0.4531   38.230   0.4725   38.770   0.7731 -0.5401000 0.9061000 
1 1 1   37   11    7 o   7.0160   1.4340   5.5280   1.6400   8.5040   2.3540 -2.977000 2.869000 
1 1 1   37   11    8 o   28.740   0.4833   28.220   0.4706   29.260   0.8442 -1.039000 0.9665000 
1 1 1   37   11    9 o   8.4140   1.2980   6.7230   1.5330   10.110   2.0960 -3.382000 2.597000 
1 1 1   37   11   10 o   18.500   0.6304   17.900   0.6029   19.090   1.1070 -1.189000 1.261000 
1 1 1   37   11   11 o   3.0300   1.4060   3.0300   1.4060  ?   ?       ?      ? 
1 1 1   37   11   12 o   4.8020   1.5140   3.4410   1.5550   6.1630   2.5970 -2.722000 3.027000 
1 1 1   37   11   13 o   11.100   1.4880   10.300   1.7180   11.890   2.4290 -1.582000 2.975000 
1 1 1   37   11   14 o   8.5210   1.2540   8.5000   1.2180   8.5410   2.1920 -0.4151000E-01 2.507000 
1 1 1   37   11   15 o   11.640   0.9866   12.150   0.8676   11.140   1.7720 1.013000 1.973000 
1 1 1   37   11   16 o   6.0090   1.3160   5.2300   1.6880   6.7890   2.0190 -1.560000 2.632000 
1 1 1   37   11   17 o   5.7660   1.3240   5.7620   1.6840   5.7690   2.0430 -0.7791000E-02 2.648000 
1 1 1   37   11   18 f   5.1910   1.3120   5.9580   1.8160   4.4250   1.8950 1.533000 2.625000 
1 1 1   37   11   19 o   3.7100   1.1770   3.4960   1.5450   3.9240   1.7770 -0.4279000 2.355000 
1 1 1   37   11   20 o   3.2100   1.0720   3.1230   1.4490   3.2970   1.5800 -0.1735000 2.144000 
1 1 1   37   11   21 o   3.1070   1.0520   3.2790   1.5160   2.9350   1.4580 0.3438000 2.103000 
1 1 1   37   11   22 o   4.6320   1.4030   3.9020   1.7230   5.3620   2.2150 -1.460000 2.806000 
1 1 1   37   11   23 o   5.2840   1.3020   6.9070   1.9060   3.6600   1.7740 3.247000 2.604000 
1 1 1   37   11   24 o   4.7890   1.3880   4.6860   1.8480   4.8910   2.0720 -0.2051000 2.776000 
1 1 1   37   11   25 o   4.6600   1.4490   4.1580   1.8500   5.1620   2.2300 -1.005000 2.898000 
1 1 1   37   11   26 o   4.5150   1.4140   4.4600   1.9240   4.5710   2.0740 -0.1105000 2.829000 
1 1 1   37   11   27 o   2.9600   1.0580   2.9000   1.4440   3.0210   1.5480 -0.1211000 2.117000 
1 1 1   37   11   28 o   2.7220   0.9655   2.6160   1.3010   2.8280   1.4270 -0.2123000 1.931000 
1 1 1   37   13    0 o   27.180   0.3635   27.170   0.4957   27.180   0.5317 -0.4894000E-02 0.7269000 
1 1 1   37   13    1 o   24.740   0.4643   25.560   0.5428   23.910   0.7534 1.643000 0.9286000 
1 1 1   37   13    2 o   34.980   0.3855   35.430   0.5140   34.530   0.5747 0.8960000 0.7710000 
1 1 1   37   13    3 o   44.050   0.3494   43.360   0.4820   44.740   0.5060 -1.383000 0.6988000 
1 1 1   37   13    4 o   10.460   0.7233   11.110   0.8886   9.8070   1.1410 1.301000 1.447000 
1 1 1   37   13    5 o   42.490   0.3774   42.540   0.4734   42.440   0.5878 0.1014000 0.7547000 
1 1 1   37   13    6 o   7.6600   0.9610   6.4120   1.4630   8.9080   1.2470 -2.496000 1.922000 
1 1 1   37   13    7 o   13.200   0.5640   12.700   0.7834   13.700   0.8116 -0.9959000 1.128000 
1 1 1   37   13    8 o   11.290   0.6667   12.110   0.8103   10.470   1.0590 1.640000 1.333000 
1 1 1   37   13    9 o   7.8680   0.9785   6.6030   1.5360   9.1340   1.2130 -2.531000 1.957000 
1 1 1   37   13   10 o   5.6140   1.2650   5.1330   1.7870   6.0950   1.7900 -0.9619000 2.530000 
1 1 1   37   13   11 o   9.7540   0.9014   8.8200   1.3550   10.690   1.1890 -1.870000 1.803000 
1 1 1   37   13   12 o   6.0520   1.2630   4.4060   1.8410   7.6970   1.7300 -3.292000 2.526000 
1 1 1   37   13   13 o   10.170   0.7702   10.340   1.0120   9.9970   1.1610 0.3427000 1.540000 
1 1 1   37   13   14 o   6.6320   1.0730   8.6150   1.2170   4.6490   1.7680 3.966000 2.146000 
1 1 1   37   13   15 o   4.0740   1.1390   2.9080   1.3660   5.2390   1.8230 -2.331000 2.278000 
1 1 1   37   13   16 o   13.660   0.6170   14.420   0.7608   12.890   0.9716 1.535000 1.234000 
1 1 1   37   13   17 o   4.1940   1.2580   4.5500   1.7970   3.8380   1.7620 0.7115000 2.516000 
1 1 1   37   13   18 o   3.4210   1.0890   3.6660   1.5820   3.1750   1.4970 0.4910000 2.178000 
1 1 1   37   13   19 o   4.3550   1.2200   3.3740   1.5380   5.3360   1.8950 -1.962000 2.441000 
1 1 1   37   13   20 o   4.4860   1.2430   5.2940   1.8080   3.6790   1.7070 1.616000 2.487000 
1 1 1   37   13   21 o   4.0530   1.2170   5.0800   1.9300   3.0250   1.4820 2.055000 2.434000 
1 1 1   37   13   22 o   3.8690   1.2120   3.5110   1.6010   4.2260   1.8200 -0.7150000 2.424000 
1 1 1   37   13   23 o   4.3580   1.2270   5.5010   1.9180   3.2150   1.5330 2.286000 2.455000 
1 1 1   37   13   24 o   5.6310   1.3760   5.0460   1.9050   6.2160   1.9870 -1.170000 2.753000 
1 1 1   37   13   25 o   2.9760   1.0360   2.7980   1.3920   3.1530   1.5350 -0.3552000 2.072000 
1 1 1   37   13   26 o   3.0530   1.0650   3.3110   1.6080   2.7940   1.3970 0.5174000 2.130000 
1 1 1   37   13   27 o   2.5290   0.8948   2.7600   1.3600   2.2980   1.1630 0.4613000 1.790000 
1 1 1   37   15    0 o   53.630   0.3833   53.080   0.5330   54.180   0.5509 -1.102000 0.7666000 
1 1 1   37   15    1 o   30.330   0.3257   30.520   0.4495   30.150   0.4715 0.3730000 0.6514000 
1 1 1   37   15    2 o   4.1770   1.1680   4.0570   1.5970   4.2970   1.7050 -0.2392000 2.336000 
1 1 1   37   15    3 o   27.030   0.3480   27.180   0.4693   26.880   0.5138 0.3022000 0.6959000 
1 1 1   37   15    4 o   23.060   0.3697   22.430   0.5097   23.700   0.5357 -1.267000 0.7394000 
1 1 1   37   15    5 o   13.150   0.5746   12.020   0.8199   14.280   0.8052 -2.251000 1.149000 
1 1 1   37   15    6 o   23.070   0.4049   23.330   0.5455   22.820   0.5984 0.5112000 0.8097000 
1 1 1   37   15    7 o   10.880   0.7337   9.7910   1.0950   11.970   0.9766 -2.176000 1.467000 
1 1 1   37   15    8 o   11.270   0.7382   11.220   1.0500   11.310   1.0380 -0.8395000E-01 1.476000 
1 1 1   37   15    9 o   4.8400   1.1910   5.5570   1.6890   4.1220   1.6800 1.435000 2.382000 
1 1 1   37   15   10 o   3.8340   1.2100   3.9500   1.7400   3.7170   1.6810 0.2334000 2.419000 
1 1 1   37   15   11 o   15.350   0.6520   15.470   0.9232   15.230   0.9211 0.2345000 1.304000 
1 1 1   37   15   12 o   10.690   0.7284   10.800   0.9699   10.590   1.0870 0.2172000 1.457000 
1 1 1   37   15   13 o   3.9290   1.1420   4.4090   1.6820   3.4490   1.5460 0.9600000 2.285000 
1 1 1   37   15   14 o   6.7970   1.1570   7.2990   1.4790   6.2960   1.7800 1.003000 2.314000 
1 1 1   37   15   15 o   9.0600   0.9098   8.3460   1.3120   9.7750   1.2600 -1.429000 1.820000 
1 1 1   37   15   16 o   6.4240   1.3330   4.8010   1.8580   8.0470   1.9120 -3.246000 2.666000 
1 1 1   37   15   17 o   3.7490   1.1420   3.0770   1.4400   4.4220   1.7720 -1.346000 2.283000 
1 1 1   37   15   18 o   3.9710   1.1930   4.2620   1.7230   3.6810   1.6500 0.5812000 2.386000 
1 1 1   37   15   19 o   4.4860   1.3070   4.1970   1.7660   4.7740   1.9260 -0.5770000 2.614000 
1 1 1   37   15   20 f   3.5890   1.1640   2.6370   1.3100   4.5420   1.9250 -1.905000 2.329000 
1 1 1   37   15   21 o   4.2780   1.2570   3.4340   1.5800   5.1220   1.9540 -1.688000 2.513000 
1 1 1   37   15   22 o   6.2000   1.3370   7.1200   1.8270   5.2800   1.9510 1.840000 2.673000 
1 1 1   37   15   23 o   4.6160   1.2820   3.6860   1.6650   5.5450   1.9490 -1.858000 2.563000 
1 1 1   37   15   24 f   3.4600   1.2020   4.4210   2.0380   2.4980   1.2770 1.923000 2.405000 
1 1 1   37   15   25 o   3.5030   1.1750   4.0170   1.8320   2.9890   1.4720 1.028000 2.350000 
1 1 1   37   15   26 o   2.5040   0.8857   2.6990   1.3330   2.3090   1.1670 0.3893000 1.771000 
1 1 1   37   17    0 o   20.300   0.4256   20.230   0.5983   20.380   0.6054 -0.1421000 0.8512000 
1 1 1   37   17    1 o   31.990   0.3616   32.130   0.5082   31.840   0.5146 0.2918000 0.7232000 
1 1 1   37   17    2 o   25.360   0.3806   24.900   0.5286   25.820   0.5476 -0.9230000 0.7612000 
1 1 1   37   17    3 o   16.620   0.5062   16.310   0.7011   16.940   0.7303 -0.6219000 1.012000 
1 1 1   37   17    4 o   9.9130   0.8091   10.060   1.0630   9.7680   1.2200 0.2905000 1.618000 
1 1 1   37   17    5 o   7.2730   1.0390   7.6440   1.3190   6.9010   1.6050 0.7424000 2.078000 
1 1 1   37   17    6 o   14.450   0.5282   14.010   0.7265   14.890   0.7668 -0.8789000 1.056000 
1 1 1   37   17    7 o   5.5170   1.1390   4.0210   1.6230   7.0120   1.5980 -2.991000 2.277000 
1 1 1   37   17    8 o   4.3740   1.1990   4.0730   1.6200   4.6740   1.7690 -0.6005000 2.399000 
1 1 1   37   17    9 o   8.3130   1.1710   9.3120   1.4020   7.3130   1.8760 1.998000 2.342000 
1 1 1   37   17   10 o   10.950   0.7588   12.240   0.9004   9.6650   1.2220 2.571000 1.518000 
1 1 1   37   17   11 o   14.260   0.5808   13.890   0.8035   14.640   0.8390 -0.7407000 1.162000 
1 1 1   37   17   12 o   5.8960   1.2530   5.1590   1.7410   6.6330   1.8020 -1.474000 2.506000 
1 1 1   37   17   13 o   6.0800   1.2100   7.0750   1.5680   5.0840   1.8440 1.991000 2.421000 
1 1 1   37   17   14 o   8.5850   1.0530   9.7500   1.1740   7.4190   1.7500 2.331000 2.107000 
1 1 1   37   17   15 o   6.5840   1.3570   5.0150   1.8810   8.1540   1.9550 -3.139000 2.713000 
1 1 1   37   17   16 o   5.1240   1.3040   5.0060   1.8090   5.2420   1.8800 -0.2361000 2.609000 
1 1 1   37   17   17 o   6.2810   1.3590   5.7850   1.9220   6.7770   1.9220 -0.9921000 2.718000 
1 1 1   37   17   18 o   4.6780   1.3320   4.2750   1.8040   5.0810   1.9590 -0.8062000 2.663000 
1 1 1   37   17   19 o   3.2200   1.0770   3.3010   1.5400   3.1390   1.5070 0.1617000 2.155000 
1 1 1   37   17   20 f   4.5420   1.3180   4.2650   1.7970   4.8190   1.9300 -0.5540000 2.637000 
1 1 1   37   17   21 o   3.3230   1.1050   3.4250   1.5880   3.2200   1.5350 0.2052000 2.209000 
1 1 1   37   17   22 o   3.6170   1.1460   2.6950   1.3310   4.5390   1.8670 -1.843000 2.292000 
1 1 1   37   17   23 o   3.9480   1.3100   4.8080   2.1200   3.0890   1.5400 1.719000 2.620000 
1 1 1   37   17   24 o   2.7560   0.9650   2.6670   1.3350   2.8440   1.3930 -0.1767000 1.930000 
1 1 1   37   17   25 o   1.9690   0.7196   1.8970   0.9792   2.0420   1.0550 -0.1444000 1.439000 
1 1 1   37   19    0 o   21.280   0.3924   20.330   0.5463   22.220   0.5636 -1.894000 0.7849000 
1 1 1   37   19    1 o   24.760   0.3585   24.390   0.4908   25.140   0.5227 -0.7407000 0.7170000 
1 1 1   37   19    2 o   9.4770   0.7826   8.5910   1.1600   10.360   1.0510 -1.772000 1.565000 
1 1 1   37   19    3 o   14.400   0.5168   13.560   0.7303   15.240   0.7314 -1.678000 1.034000 
1 1 1   37   19    4 o   15.000   0.5071   14.750   0.6844   15.260   0.7486 -0.5166000 1.014000 
1 1 1   37   19    5 o   5.2090   1.2200   5.4670   1.6670   4.9510   1.7820 0.5165000 2.440000 
1 1 1   37   19    6 o   6.1520   1.3910   5.9780   1.9170   6.3250   2.0160 -0.3473000 2.781000 
1 1 1   37   19    7 o   6.3280   1.3710   5.2220   1.9220   7.4340   1.9550 -2.212000 2.742000 
1 1 1   37   19    8 o   6.1910   1.2200   6.4600   1.6220   5.9230   1.8230 0.5375000 2.440000 
1 1 1   37   19    9 o   7.2150   1.1300   8.3230   1.3340   6.1070   1.8250 2.216000 2.260000 
1 1 1   37   19   10 f   16.370   0.5264   16.470   0.6871   16.260   0.7976 0.2060000 1.053000 
1 1 1   37   19   11 o   5.7910   1.2010   7.1920   1.6150   4.3910   1.7800 2.801000 2.403000 
1 1 1   37   19   12 o   5.3750   1.3040   4.9530   1.8240   5.7980   1.8640 -0.8447000 2.608000 
1 1 1   37   19   13 o   5.8830   1.3600   7.0250   1.8640   4.7410   1.9820 2.284000 2.721000 
1 1 1   37   19   14 o   4.2550   1.2780   3.0410   1.4700   5.4680   2.0900 -2.426000 2.555000 
1 1 1   37   19   15 o   5.1360   1.3190   3.9200   1.7350   6.3530   1.9860 -2.434000 2.638000 
1 1 1   37   19   16 f   7.4270   1.2930   8.8170   1.5890   6.0360   2.0410 2.781000 2.587000 
1 1 1   37   19   17 o   5.5880   1.3110   6.7020   1.8300   4.4740   1.8770 2.228000 2.621000 
1 1 1   37   19   18 o   4.1280   1.2400   4.6130   1.8320   3.6440   1.6710 0.9691000 2.480000 
1 1 1   37   19   19 o   4.1480   1.2330   3.0820   1.4810   5.2130   1.9720 -2.131000 2.466000 
1 1 1   37   19   20 o   4.5090   1.2830   5.2990   1.9310   3.7200   1.6900 1.578000 2.566000 
1 1 1   37   19   21 o   3.5280   1.1770   3.0170   1.4830   4.0400   1.8290 -1.023000 2.354000 
1 1 1   37   19   22 o   2.5920   0.9331   2.6610   1.3520   2.5230   1.2870 0.1386000 1.866000 
1 1 1   37   19   23 o   3.1270   1.0510   2.4820   1.2540   3.7720   1.6880 -1.290000 2.103000 
1 1 1   37   21    0 o   8.1970   0.9600   8.0150   1.3250   8.3800   1.3890 -0.3655000 1.920000 
1 1 1   37   21    1 o   5.9190   1.2130   6.0190   1.6640   5.8200   1.7660 0.1994000 2.427000 
1 1 1   37   21    2 o   4.9010   1.1690   3.5340   1.5430   6.2680   1.7570 -2.734000 2.338000 
1 1 1   37   21    3 o   11.080   0.8862   10.610   1.2480   11.550   1.2580 -0.9371000 1.772000 
1 1 1   37   21    4 o   6.3110   1.1940   8.5980   1.5820   4.0240   1.7900 4.574000 2.389000 
1 1 1   37   21    5 o   7.3830   1.2250   6.3860   1.9290   8.3810   1.5100 -1.994000 2.450000 
1 1 1   37   21    6 o   8.5540   0.9807   8.4840   1.3210   8.6240   1.4500 -0.1399000 1.961000 
1 1 1   37   21    7 o   11.270   0.7431   11.450   0.9745   11.100   1.1220 0.3498000 1.486000 
1 1 1   37   21    8 o   7.6480   1.1230   9.1920   1.2590   6.1050   1.8600 3.088000 2.246000 
1 1 1   37   21    9 o   8.2100   1.0730   7.7920   1.5220   8.6290   1.5120 -0.8375000 2.146000 
1 1 1   37   21   10 o   4.9210   1.2220   3.5580   1.5830   6.2850   1.8620 -2.727000 2.444000 
1 1 1   37   21   11 o   6.4710   1.3980   6.5160   1.8740   6.4260   2.0760 0.9036000E-01 2.796000 
1 1 1   37   21   12 o   5.7060   1.5000   5.8710   2.0940   5.5410   2.1490 0.3298000 3.000000 
1 1 1   37   21   13 o   4.5560   1.3070   3.8320   1.7050   5.2790   1.9820 -1.447000 2.615000 
1 1 1   37   21   14 o   5.0060   1.2810   3.7330   1.6620   6.2790   1.9510 -2.546000 2.562000 
1 1 1   37   21   15 o   8.2150   1.2060   8.8020   1.5330   7.6280   1.8620 1.174000 2.412000 
1 1 1   37   21   16 o   4.1520   1.2450   4.6580   1.8570   3.6460   1.6600 1.012000 2.491000 
1 1 1   37   21   17 o   4.9500   1.3570   4.8980   1.9020   5.0020   1.9350 -0.1040000 2.714000 
1 1 1   37   21   18 o   3.9900   1.1920   5.2120   1.9520   2.7680   1.3670 2.444000 2.383000 
1 1 1   37   21   19 o   4.0240   1.2870   4.1080   1.8370   3.9400   1.8040 0.1676000 2.575000 
1 1 1   37   21   20 o   4.2960   1.3330   3.8080   1.7510   4.7850   2.0110 -0.9766000 2.667000 
1 1 1   37   21   21 o   1.9330   0.7049   1.9140   0.9875   1.9520   1.0060 -0.3732000E-01 1.410000 
1 1 1   37   21   22 o   1.6520   0.6093   1.6280   0.8491   1.6760   0.8741 -0.4809000E-01 1.219000 
1 1 1   37   23    0 o   12.500   0.8169   12.290   1.1320   12.710   1.1780 -0.4200000 1.634000 
1 1 1   37   23    1 o   4.6340   1.2500   4.2280   1.6980   5.0400   1.8360 -0.8120000 2.501000 
1 1 1   37   23    2 o   12.590   0.6615   12.650   0.9105   12.540   0.9599 0.1076000 1.323000 
1 1 1   37   23    3 o   5.5040   1.2440   4.5100   1.7340   6.4990   1.7850 -1.989000 2.488000 
1 1 1   37   23    4 o   3.8550   1.1190   2.6930   1.3030   5.0170   1.8210 -2.324000 2.239000 
1 1 1   37   23    5 o   9.9470   0.8269   9.3870   1.1810   10.510   1.1570 -1.119000 1.654000 
1 1 1   37   23    6 o   7.3800   1.1220   8.0600   1.4110   6.7000   1.7440 1.360000 2.244000 
1 1 1   37   23    7 o   6.1050   1.2680   7.7210   1.7380   4.4880   1.8480 3.233000 2.537000 
1 1 1   37   23    8 o   3.8690   1.2110   3.8290   1.7020   3.9100   1.7240 -0.8192000E-01 2.423000 
1 1 1   37   23    9 o   5.7410   1.4700   5.1000   1.9910   6.3830   2.1640 -1.284000 2.940000 
1 1 1   37   23   10 o   4.1750   1.2830   4.3940   1.8340   3.9570   1.7940 0.4374000 2.566000 
1 1 1   37   23   11 o   3.8240   1.1830   3.1910   1.4950   4.4570   1.8330 -1.266000 2.365000 
1 1 1   37   23   12 o   3.0900   1.0460   2.9750   1.4270   3.2050   1.5310 -0.2297000 2.093000 
1 1 1   37   23   13 o   4.7420   1.3250   4.9500   1.8730   4.5350   1.8760 0.4148000 2.651000 
1 1 1   37   23   14 o   3.3490   1.1050   2.9210   1.4140   3.7770   1.7000 -0.8566000 2.211000 
1 1 1   37   23   15 o   5.1590   1.2750   3.7020   1.6720   6.6150   1.9250 -2.913000 2.550000 
1 1 1   37   23   16 o   3.7810   1.2170   4.5270   1.9280   3.0350   1.4870 1.493000 2.435000 
1 1 1   37   23   17 o   4.0670   1.2790   3.6060   1.6840   4.5280   1.9260 -0.9217000 2.558000 
1 1 1   37   23   18 o   3.2890   1.0870   2.7200   1.3400   3.8580   1.7130 -1.137000 2.175000 
1 1 1   37   23   19 o   3.2460   1.1030   3.5010   1.6480   2.9900   1.4670 0.5118000 2.207000 
1 1 1   37   25    0 o   4.9800   1.3460   5.5260   1.9460   4.4340   1.8590 1.092000 2.691000 
1 1 1   37   25    1 o   7.5880   1.2740   6.5880   1.9100   8.5880   1.6850 -2.000000 2.547000 
1 1 1   37   25    2 o   7.0320   1.2830   8.6320   1.6210   5.4320   1.9880 3.200000 2.565000 
1 1 1   37   25    3 o   4.8030   1.3460   4.5000   1.8550   5.1060   1.9520 -0.6059000 2.693000 
1 1 1   37   25    4 o   15.260   0.6842   14.610   0.9798   15.910   0.9553 -1.301000 1.368000 
1 1 1   37   25    5 o   9.9200   1.1040   11.100   1.2410   8.7450   1.8270 2.350000 2.209000 
1 1 1   37   25    6 o   8.1820   1.2680   9.1500   1.5130   7.2150   2.0350 1.935000 2.536000 
1 1 1   37   25    7 o   6.4220   1.3000   8.2420   1.7240   4.6010   1.9460 3.641000 2.600000 
1 1 1   37   25    8 o   9.1980   1.0330   9.5540   1.3370   8.8410   1.5760 0.7126000 2.067000 
1 1 1   37   25    9 o   7.9210   1.1800   7.9390   1.5960   7.9030   1.7390 0.3582000E-01 2.361000 
1 1 1   37   25   10 o   4.1850   1.2440   3.4020   1.5730   4.9690   1.9280 -1.567000 2.488000 
1 1 1   37   25   11 o   4.0730   1.1730   5.3930   1.9100   2.7530   1.3640 2.640000 2.347000 
1 1 1   37   25   12 o   3.4320   1.1330   3.1960   1.5180   3.6670   1.6820 -0.4710000 2.266000 
1 1 1   37   25   13 o   3.3280   1.1230   3.9300   1.7860   2.7250   1.3620 1.205000 2.246000 
1 1 1   37   25   14 f   3.3220   1.1260   2.7830   1.3870   3.8610   1.7740 -1.078000 2.252000 
1 1 1   37   25   15 o   3.4510   1.1290   3.1560   1.5030   3.7460   1.6860 -0.5904000 2.259000 
1 1 1   37   25   16 o   2.8730   0.9868   2.8700   1.3910   2.8750   1.4010 -0.5545000E-02 1.974000 
1 1 1   37   25   17 o   2.1120   0.7657   2.0860   1.0620   2.1380   1.1030 -0.5223000E-01 1.531000 
1 1 1   37   27    0 o   3.6350   1.1930   3.6290   1.6740   3.6410   1.7000 -0.1257000E-01 2.386000 
1 1 1   37   27    1 o   5.8390   1.4390   5.7170   2.0050   5.9610   2.0640 -0.2437000 2.878000 
1 1 1   37   27    2 o   12.350   0.9008   13.700   1.0660   11.000   1.4520 2.700000 1.802000 
1 1 1   37   27    3 o   4.4810   1.2950   4.2620   1.7780   4.7000   1.8840 -0.4375000 2.590000 
1 1 1   37   27    4 o   5.6450   1.3320   6.3170   1.8560   4.9740   1.9110 1.343000 2.664000 
1 1 1   37   27    5 o   4.2430   1.2610   3.9010   1.7070   4.5850   1.8560 -0.6847000 2.522000 
1 1 1   37   27    6 o   4.8450   1.3140   4.7510   1.8440   4.9400   1.8730 -0.1887000 2.628000 
1 1 1   37   27    7 f   3.6220   1.1550   3.4740   1.5880   3.7710   1.6770 -0.2965000 2.310000 
1 1 1   37   27    8 o   3.6610   1.2000   3.4570   1.6280   3.8660   1.7630 -0.4088000 2.400000 
1 1 1   37   27    9 f   4.2960   1.2860   5.1790   1.9980   3.4130   1.6190 1.766000 2.571000 
1 1 1   37   27   10 o   3.9250   1.2360   3.1810   1.5300   4.6680   1.9420 -1.487000 2.472000 
1 1 1   37   27   11 o   2.4890   0.8794   2.4510   1.2250   2.5270   1.2620 -0.7603000E-01 1.759000 
1 1 1   37   27   12 o   3.3870   1.1000   3.8420   1.6810   2.9310   1.4210 0.9111000 2.201000 
1 1 1   37   27   13 o   2.5740   0.9028   2.6460   1.3040   2.5030   1.2490 0.1436000 1.806000 
1 1 1   37   27   14 o   2.2280   0.8140   2.1510   1.1170   2.3050   1.1840 -0.1544000 1.628000 
1 1 1   37   29    0 o   4.8710   1.3060   6.0250   1.9790   3.7180   1.7050 2.307000 2.612000 
1 1 1   37   29    1 o   3.9150   1.2240   3.2270   1.5370   4.6030   1.9040 -1.377000 2.447000 
1 1 1   37   29    2 o   4.0460   1.2640   4.4030   1.8630   3.6880   1.7080 0.7143000 2.527000 
1 1 1   37   29    3 o   5.5550   1.4260   5.3210   1.9920   5.7890   2.0400 -0.4682000 2.851000 
1 1 1   37   29    4 o   3.5900   1.1570   2.6640   1.3290   4.5160   1.8940 -1.852000 2.314000 
1 1 1   37   29    5 o   3.9320   1.2040   3.6510   1.6340   4.2140   1.7690 -0.5624000 2.408000 
1 1 1   37   29    6 o   2.9500   1.0040   2.6420   1.3020   3.2580   1.5280 -0.6153000 2.008000 
1 1 1   37   29    7 o   2.6350   0.9184   2.3030   1.1590   2.9670   1.4250 -0.6638000 1.837000 
1 1 1   37   29    8 o   2.7520   0.9488   2.6220   1.2890   2.8820   1.3930 -0.2606000 1.898000 
1 1 1   37   29    9 o   3.5830   1.1100   4.4480   1.7750   2.7180   1.3330 1.730000 2.220000 
1 1 1   37   29   10 o   1.0830   0.5659  ?   ?    1.0830   0.5659      ?      ? 
1 1 1   37   31    0 o   2.1480   0.7692   2.0600   1.0460   2.2360   1.1280 -0.1761000 1.538000 
1 1 1   37   31    1 o   2.4390   0.8700   2.7980   1.3770   2.0790   1.0630 0.7190000 1.740000 
1 1 1   37   31    2 o   1.9010   0.6989   1.9180   0.9967   1.8830   0.9799 0.3519000E-01 1.398000 
1 1 1   38    0    0 f   47.430   0.4627   47.430   0.4627   47.430   0.4627 0.000000 0.000000 
1 1 1   38    0    1 o   25.640   0.4038   25.640   0.4038   25.640   0.4038 -0.000000 0.000000 
1 1 1   38    0    2 o   1.7050   1.2030   1.7050   1.2030   1.7050   1.2030 -0.000000 0.000000 
1 1 1   38    0    3 o   28.480   0.4226   28.480   0.4226   28.480   0.4226 0.000000 0.000000 
1 1 1   38    0    4 o   3.0350   1.9890   3.0350   1.9890   3.0350   1.9890 -0.000000 0.000000 
1 1 1   38    0    5 o   42.670   0.4619   42.670   0.4619   42.670   0.4619 -0.000000 0.000000 
1 1 1   38    0    6 o   31.900   0.5092   31.900   0.5092   31.900   0.5092 -0.000000 0.000000 
1 1 1   38    0    7 o   25.190   0.4817   25.190   0.4817   25.190   0.4817 -0.000000 0.000000 
1 1 1   38    0    8 o   9.4750   1.1470   9.4750   1.1470   9.4750   1.1470 0.000000 0.000000 
1 1 1   38    0    9 o   16.130   0.6864   16.130   0.6864   16.130   0.6864 -0.000000 0.000000 
1 1 1   38    0   10 o   17.330   0.6524   17.330   0.6524   17.330   0.6524 -0.000000 0.000000 
1 1 1   38    0   11 o   28.460   0.4885   28.460   0.4885   28.460   0.4885 -0.000000 0.000000 
1 1 1   38    0   12 o   2.4820   1.6680   2.4820   1.6680   2.4820   1.6680 -0.000000 0.000000 
1 1 1   38    0   13 o   5.8240   2.3530   5.8240   2.3530   5.8240   2.3530 0.000000 0.000000 
1 1 1   38    0   14 o   7.9960   1.5020   7.9960   1.5020   7.9960   1.5020 -0.000000 0.000000 
1 1 1   38    0   15 o   13.010   0.8031   13.010   0.8031   13.010   0.8031 -0.000000 0.000000 
1 1 1   38    0   16 o   8.5840   1.2670   8.5840   1.2670   8.5840   1.2670 -0.000000 0.000000 
1 1 1   38    0   17 o   5.1960   2.0880   5.1960   2.0880   5.1960   2.0880 0.000000 0.000000 
1 1 1   38    0   18 o   8.4020   2.2560   8.4020   2.2560   8.4020   2.2560 -0.000000 0.000000 
1 1 1   38    0   19 o   15.790   0.7369   15.790   0.7369   15.790   0.7369 -0.000000 0.000000 
1 1 1   38    0   20 o   11.230   1.0070   11.230   1.0070   11.230   1.0070 -0.000000 0.000000 
1 1 1   38    0   21 o   10.010   1.1760   10.010   1.1760   10.010   1.1760 0.000000 0.000000 
1 1 1   38    0   22 o   2.3340   1.5890   2.3340   1.5890   2.3340   1.5890 -0.000000 0.000000 
1 1 1   38    0   23 o   6.0900   2.1330   6.0900   2.1330   6.0900   2.1330 -0.000000 0.000000 
1 1 1   38    0   24 o   6.9170   2.0990   6.9170   2.0990   6.9170   2.0990 0.000000 0.000000 
1 1 1   38    0   25 o   3.0210   1.9330   3.0210   1.9330   3.0210   1.9330 -0.000000 0.000000 
1 1 1   38    0   26 o   3.6710   2.3140   3.6710   2.3140   3.6710   2.3140 0.000000 0.000000 
1 1 1   38    0   27 o   2.7600   1.8270   2.7600   1.8270   2.7600   1.8270 -0.000000 0.000000 
1 1 1   38    0   28 o   2.6270   1.7670   2.6270   1.7670   2.6270   1.7670 0.000000 0.000000 
1 1 1   38    0   29 o   2.4640   1.6860   2.4640   1.6860   2.4640   1.6860 0.000000 0.000000 
1 1 1   38    0   30 o   2.4870   1.7590   2.4870   1.7590   2.4870   1.7590 -0.000000 0.000000 
1 1 1   38    2    0 o   67.630   0.4737   67.480   0.7149   67.780   0.6218 -0.2967000 0.9475000 
1 1 1   38    2    1 o   48.680   0.3378   48.540   0.4785   48.820   0.4769 -0.2802000 0.6755000 
1 1 1   38    2    2 o   6.5150   1.0400   6.6430   1.5290   6.3870   1.4110 0.2560000 2.080000 
1 1 1   38    2    3 o   39.310   0.4029   38.690   0.6316   39.930   0.5002 -1.241000 0.8057000 
1 1 1   38    2    4 o   18.400   0.3852   18.110   0.5506   18.680   0.5389 -0.5700000 0.7705000 
1 1 1   38    2    5 o   37.240   0.3704   37.180   0.5131   37.300   0.5343 -0.1166000 0.7408000 
1 1 1   38    2    6 o   55.390   0.3842   55.130   0.5412   55.640   0.5456 -0.5065000 0.7685000 
1 1 1   38    2    7 o   44.460   0.3421   44.510   0.4835   44.400   0.4840 0.1106000 0.6842000 
1 1 1   38    2    8 o   27.690   0.3362   27.400   0.4774   27.980   0.4734 -0.5779000 0.6723000 
1 1 1   38    2    9 o   38.460   0.3360   38.130   0.4759   38.780   0.4744 -0.6507000 0.6720000 
1 1 1   38    2   10 o   35.710   0.3295   35.790   0.4671   35.640   0.4650 0.1454000 0.6591000 
1 1 1   38    2   11 o   3.1700   1.0160   2.5210   1.2360   3.8180   1.6130 -1.297000 2.032000 
1 1 1   38    2   12 o   9.5730   0.8803   9.4920   1.1850   9.6550   1.3020 -0.1631000 1.761000 
1 1 1   38    2   13 f   17.270   0.5342   17.360   0.6809   17.190   0.8234 0.1701000 1.068000 
1 1 1   38    2   14 o   5.6640   1.2600   5.0550   1.8150   6.2730   1.7480 -1.218000 2.520000 
1 1 1   38    2   15 o   9.1200   0.8041   9.3970   1.1050   8.8440   1.1680 0.5530000 1.608000 
1 1 1   38    2   16 o   6.7770   1.0650   5.9420   1.6100   7.6120   1.3960 -1.670000 2.131000 
1 1 1   38    2   17 o   5.8680   1.2600   7.0340   1.7800   4.7020   1.7850 2.332000 2.521000 
1 1 1   38    2   18 o   4.3680   1.3380   4.8910   1.9940   3.8450   1.7850 1.046000 2.676000 
1 1 1   38    2   19 o   8.0870   1.1330   8.3040   1.4200   7.8690   1.7660 0.4347000 2.266000 
1 1 1   38    2   20 o   9.2610   0.8149   9.2810   1.1370   9.2400   1.1670 0.4031000E-01 1.630000 
1 1 1   38    2   21 o   3.9800   1.1620   3.6830   1.5840   4.2770   1.7010 -0.5941000 2.325000 
1 1 1   38    2   22 o   4.8100   1.2290   5.4020   1.7570   4.2180   1.7180 1.184000 2.458000 
1 1 1   38    2   23 f   3.0530   1.0190   2.9610   1.4060   3.1450   1.4760 -0.1844000 2.039000 
1 1 1   38    2   24 o   3.6300   1.1510   3.7930   1.6660   3.4680   1.5890 0.3246000 2.302000 
1 1 1   38    2   25 o   4.0560   1.2140   3.2570   1.5300   4.8550   1.8840 -1.598000 2.427000 
1 1 1   38    2   26 o   5.8140   1.5900   5.7330   2.2330   5.8950   2.2640 -0.1622000 3.180000 
1 1 1   38    2   27 o   5.3290   1.3890   5.4690   1.9630   5.1890   1.9660 0.2802000 2.778000 
1 1 1   38    2   28 o   2.7390   0.9573   2.4840   1.2440   2.9940   1.4560 -0.5103000 1.915000 
1 1 1   38    2   29 o   3.5470   1.1280   2.5280   1.2630   4.5670   1.8690 -2.039000 2.256000 
1 1 1   38    2   30 o   2.2840   1.1830   2.2840   1.1830  ?   ?       ?      ? 
1 1 1   38    4    0 o   60.910   0.5649   60.910   0.8002   60.900   0.7975 0.1571000E-01 1.130000 
1 1 1   38    4    1 o   48.890   0.3987   47.100   0.5432   50.680   0.5837 -3.585000 0.7974000 
1 1 1   38    4    2 o   13.610   0.5273   12.850   0.6559   14.370   0.8259 -1.519000 1.055000 
1 1 1   38    4    3 o   26.360   0.3018   26.750   0.4241   25.970   0.4297 0.7704000 0.6037000 
1 1 1   38    4    4 o   31.360   0.3059   31.160   0.4307   31.550   0.4345 -0.3944000 0.6118000 
1 1 1   38    4    5 o   14.680   0.6077   14.700   0.7968   14.670   0.9178 0.3265000E-01 1.215000 
1 1 1   38    4    6 o   10.700   0.6742   10.580   0.9569   10.820   0.9501 -0.2389000 1.348000 
1 1 1   38    4    7 o   14.620   0.5068   14.110   0.7395   15.130   0.6932 -1.028000 1.014000 
1 1 1   38    4    8 o   6.5590   1.0820   8.0010   1.3400   5.1170   1.6990 2.884000 2.164000 
1 1 1   38    4    9 o   22.220   0.3823   22.050   0.5391   22.390   0.5423 -0.3413000 0.7646000 
1 1 1   38    4   10 o   27.550   0.3465   27.900   0.4842   27.190   0.4957 0.7056000 0.6929000 
1 1 1   38    4   11 o   20.460   0.4390   20.060   0.6081   20.860   0.6334 -0.8078000 0.8781000 
1 1 1   38    4   12 o   16.460   0.5071   16.790   0.6844   16.120   0.7486 0.6753000 1.014000 
1 1 1   38    4   13 o   15.380   0.4964   15.300   0.6989   15.460   0.7050 -0.1614000 0.9927000 
1 1 1   38    4   14 o   18.450   0.4882   18.360   0.7098   18.540   0.6703 -0.1835000 0.9763000 
1 1 1   38    4   15 o   8.8130   0.8386   9.1960   1.1140   8.4300   1.2540 0.7651000 1.677000 
1 1 1   38    4   16 o   5.1400   1.2080   5.0060   1.6790   5.2740   1.7370 -0.2676000 2.416000 
1 1 1   38    4   17 o   13.400   0.7266   14.000   0.9196   12.800   1.1250 1.202000 1.453000 
1 1 1   38    4   18 o   6.4280   1.2980   6.7210   1.6780   6.1350   1.9820 0.5860000 2.597000 
1 1 1   38    4   19 o   3.6560   1.1640   3.5820   1.5890   3.7290   1.7020 -0.1467000 2.328000 
1 1 1   38    4   20 o   3.0320   0.9980   3.0080   1.3920   3.0560   1.4300 -0.4730000E-01 1.996000 
1 1 1   38    4   21 o   3.8700   1.1580   3.6350   1.5680   4.1050   1.7030 -0.4696000 2.315000 
1 1 1   38    4   22 f   4.7560   1.2360   4.0170   1.6750   5.4960   1.8180 -1.480000 2.472000 
1 1 1   38    4   23 o   10.080   0.8855   10.420   1.1360   9.7340   1.3590 0.6838000 1.771000 
1 1 1   38    4   24 o   5.1150   1.2750   3.8090   1.6460   6.4210   1.9470 -2.612000 2.549000 
1 1 1   38    4   25 o   3.9670   1.2440   3.1660   1.5190   4.7680   1.9700 -1.602000 2.488000 
1 1 1   38    4   26 o   4.7160   1.3980   4.3480   1.8950   5.0840   2.0560 -0.7363000 2.796000 
1 1 1   38    4   27 o   3.0800   1.0510   2.9760   1.4450   3.1850   1.5270 -0.2099000 2.103000 
1 1 1   38    4   28 o   3.8900   1.2200   4.3140   1.8240   3.4660   1.6210 0.8476000 2.441000 
1 1 1   38    4   29 o   2.5100   0.8989   2.3200   1.1830   2.7010   1.3540 -0.3805000 1.798000 
1 1 1   38    6    0 o   14.620   0.6211   13.690   0.6460   15.560   1.0610 -1.870000 1.242000 
1 1 1   38    6    1 o   58.840   0.4260   59.050   0.6444   58.640   0.5575 0.4101000 0.8521000 
1 1 1   38    6    2 o   47.890   0.3416   48.370   0.4803   47.410   0.4858 0.9579000 0.6831000 
1 1 1   38    6    3 o   64.120   0.4634   64.510   0.6068   63.740   0.7006 0.7661000 0.9268000 
1 1 1   38    6    4 o   37.540   0.3181   37.460   0.4439   37.610   0.4558 -0.1457000 0.6362000 
1 1 1   38    6    5 o   20.770   0.4695   20.620   0.6225   20.920   0.7030 -0.3028000 0.9390000 
1 1 1   38    6    6 o   26.230   0.3384   26.410   0.4684   26.060   0.4885 0.3502000 0.6768000 
1 1 1   38    6    7 o   19.900   0.4053   19.680   0.5641   20.130   0.5821 -0.4546000 0.8106000 
1 1 1   38    6    8 o   27.430   0.3420   27.080   0.4807   27.780   0.4865 -0.7022000 0.6839000 
1 1 1   38    6    9 f   7.3810   1.0470   8.0360   1.3420   6.7260   1.6070 1.310000 2.094000 
1 1 1   38    6   10 o   20.450   0.4419   20.580   0.5973   20.330   0.6513 0.2486000 0.8837000 
1 1 1   38    6   11 o   13.280   0.6190   13.950   0.7934   12.610   0.9503 1.341000 1.238000 
1 1 1   38    6   12 o   25.540   0.3586   26.200   0.4885   24.880   0.5252 1.318000 0.7172000 
1 1 1   38    6   13 o   13.170   0.6336   14.130   0.7583   12.210   1.0150 1.921000 1.267000 
1 1 1   38    6   14 o   17.370   0.5369   17.860   0.7418   16.890   0.7764 0.9702000 1.074000 
1 1 1   38    6   15 o   5.7890   1.2130   6.2570   1.5810   5.3210   1.8390 0.9352000 2.426000 
1 1 1   38    6   16 o   3.6320   1.1490   2.9660   1.4210   4.2980   1.8070 -1.333000 2.299000 
1 1 1   38    6   17 o   5.8590   1.2770   5.8480   1.6550   5.8710   1.9440 -0.2366000E-01 2.553000 
1 1 1   38    6   18 o   5.9970   1.4930   6.1260   1.7440   5.8690   2.4250 0.2566000 2.987000 
1 1 1   38    6   19 o   4.3970   1.3410   4.4870   1.7440   4.3070   2.0380 0.1805000 2.682000 
1 1 1   38    6   20 o   3.8060   1.1870   3.6310   1.5730   3.9810   1.7780 -0.3498000 2.374000 
1 1 1   38    6   21 f   8.5110   1.1340   7.7090   1.4770   9.3130   1.7210 -1.604000 2.268000 
1 1 1   38    6   22 f   6.4290   1.3950   5.6170   1.8100   7.2400   2.1240 -1.623000 2.790000 
1 1 1   38    6   23 o   9.6520   1.1110   9.3380   1.2890   9.9650   1.8100 -0.6270000 2.222000 
1 1 1   38    6   24 o   3.8780   1.2410   4.1680   1.7940   3.5880   1.7140 0.5802000 2.481000 
1 1 1   38    6   25 o   4.5150   1.3600   4.9490   1.9620   4.0820   1.8830 0.8671000 2.720000 
1 1 1   38    6   26 o   4.9170   1.4750   5.2640   2.0320   4.5700   2.1380 0.6940000 2.950000 
1 1 1   38    6   27 o   3.3850   1.1520   3.2190   1.5300   3.5510   1.7210 -0.3323000 2.303000 
1 1 1   38    6   28 o   3.0050   1.0570   2.5370   1.2730   3.4740   1.6890 -0.9371000 2.114000 
1 1 1   38    6   29 o   2.5010   0.8986   2.5900   1.3060   2.4110   1.2350 0.1799000 1.797000 
1 1 1   38    8    0 o   32.910   0.4927   34.190   0.6595   31.630   0.7321 2.566000 0.9853000 
1 1 1   38    8    1 o   39.130   0.4293   39.130   0.4293  ?   ?       ?      ? 
1 1 1   38    8    2 o   25.800   0.3278   26.540   0.4119   25.060   0.5102 1.475000 0.6557000 
1 1 1   38    8    3 o   13.370   0.5008   14.140   0.6139   12.590   0.7914 1.551000 1.002000 
1 1 1   38    8    4 o   13.960   0.5496   14.690   0.6392   13.220   0.8942 1.464000 1.099000 
1 1 1   38    8    5 o   35.980   0.5153   36.070   0.5325   35.880   0.8823 0.1957000 1.031000 
1 1 1   38    8    6 o   25.920   0.3897   25.580   0.4827   26.260   0.6120 -0.6726000 0.7795000 
1 1 1   38    8    7 o   17.200   0.5106   17.920   0.5929   16.490   0.8314 1.425000 1.021000 
1 1 1   38    8    8 o   29.330   0.3909   29.250   0.4983   29.410   0.6025 -0.1536000 0.7819000 
1 1 1   38    8    9 o   21.940   0.4358   21.960   0.5514   21.930   0.6750 0.2360000E-01 0.8716000 
1 1 1   38    8   10 o   17.260   0.6411   17.260   0.6411  ?   ?       ?      ? 
1 1 1   38    8   11 o   7.6720   1.0750   6.9500   1.4740   8.3950   1.5670 -1.445000 2.151000 
1 1 1   38    8   12 o   3.3860   1.0860   3.3600   1.4910   3.4130   1.5790 -0.5248000E-01 2.171000 
1 1 1   38    8   13 o   17.600   0.6236   17.890   0.7485   17.320   0.9976 0.5713000 1.247000 
1 1 1   38    8   14 o   3.5260   1.1840   4.0750   1.8550   2.9770   1.4710 1.098000 2.368000 
1 1 1   38    8   15 o   3.4900   1.1270   3.7390   1.6480   3.2400   1.5370 0.4994000 2.253000 
1 1 1   38    8   16 o   13.730   0.6433   14.120   0.7475   13.340   1.0470 0.7793000 1.287000 
1 1 1   38    8   17 o   4.1470   1.1970   2.9430   1.3750   5.3500   1.9590 -2.407000 2.394000 
1 1 1   38    8   18 o   4.7290   1.3700   3.6690   1.6130   5.7900   2.2140 -2.121000 2.739000 
1 1 1   38    8   19 o   4.7380   1.2240   5.4240   1.7280   4.0520   1.7330 1.372000 2.447000 
1 1 1   38    8   20 o   3.4120   1.0920   3.1570   1.4590   3.6660   1.6250 -0.5091000 2.184000 
1 1 1   38    8   21 o   3.6170   1.1310   3.9010   1.6520   3.3330   1.5460 0.5685000 2.263000 
1 1 1   38    8   22 o   4.0080   1.1960   4.5380   1.7770   3.4780   1.6000 1.059000 2.391000 
1 1 1   38    8   23 o   3.0980   1.0450   3.0210   1.4380   3.1750   1.5170 -0.1541000 2.090000 
1 1 1   38    8   24 o   3.6510   1.1990   3.3920   1.6000   3.9100   1.7870 -0.5177000 2.399000 
1 1 1   38    8   25 o   3.9090   1.1960   4.8540   1.9070   2.9630   1.4440 1.891000 2.392000 
1 1 1   38    8   26 o   3.6910   1.2170   3.6400   1.7050   3.7410   1.7360 -0.1007000 2.433000 
1 1 1   38    8   27 o   3.4510   1.1200   2.5900   1.2900   4.3110   1.8330 -1.721000 2.241000 
1 1 1   38    8   28 f   3.9790   1.3130   3.6830   1.7360   4.2740   1.9700 -0.5911000 2.625000 
1 1 1   38    8   29 o   2.1400   0.7846   2.0380   1.0530   2.2410   1.1630 -0.2035000 1.569000 
1 1 1   38   10    0 o   25.240   0.3542   25.590   0.4317   24.900   0.5618 0.6885000 0.7085000 
1 1 1   38   10    1 o   27.080   0.3648   27.730   0.4259   26.440   0.5924 1.288000 0.7296000 
1 1 1   38   10    2 o   43.660   0.5155   44.330   0.4742   42.980   0.9156 1.353000 1.031000 
1 1 1   38   10    3 o   16.930   0.5673   16.930   0.5673  ?   ?       ?      ? 
1 1 1   38   10    4 o   19.210   0.6071   19.210   0.6071  ?   ?       ?      ? 
1 1 1   38   10    5 o   6.7540   1.3330   8.5290   1.2050   4.9780   2.3770 3.551000 2.665000 
1 1 1   38   10    6 o   17.310   1.0400   17.850   0.6152   16.770   1.9880 1.086000 2.081000 
1 1 1   38   10    7 o   14.280   1.2090   15.180   0.6769   13.380   2.3210 1.796000 2.418000 
1 1 1   38   10    8 o   30.270   0.4804   30.620   0.4660   29.920   0.8401 0.7029000 0.9607000 
1 1 1   38   10    9 o   31.180   0.4654   30.660   0.4734   31.690   0.8015 -1.031000 0.9309000 
1 1 1   38   10   10 o   7.2970   1.2990   8.7520   1.1840   5.8430   2.3120 2.908000 2.597000 
1 1 1   38   10   11 o   8.9110   1.2350   8.7950   1.2100   9.0270   2.1530 -0.2319000 2.470000 
1 1 1   38   10   12 o   7.7110   1.3460   7.4140   1.4150   8.0080   2.2890 -0.5935000 2.691000 
1 1 1   38   10   13 o   10.470   1.5530   12.260   1.4180   8.6730   2.7640 3.586000 3.107000 
1 1 1   38   10   14 f   6.8970   1.6170   5.6400   1.6800   8.1540   2.7630 -2.515000 3.234000 
1 1 1   38   10   15 o   5.0980   1.3270   5.4890   1.6770   4.7070   2.0580 0.7825000 2.655000 
1 1 1   38   10   16 o   3.5880   1.1840   2.9180   1.3610   4.2580   1.9370 -1.340000 2.368000 
1 1 1   38   10   17 o   3.5320   1.1660   3.2260   1.4640   3.8370   1.8150 -0.6117000 2.332000 
1 1 1   38   10   18 o   8.6190   1.3120   8.3880   1.5050   8.8490   2.1490 -0.4612000 2.624000 
1 1 1   38   10   19 o   5.4580   1.2300   6.8850   1.5800   4.0310   1.8860 2.855000 2.460000 
1 1 1   38   10   20 o   3.8920   1.2500   3.4360   1.5470   4.3480   1.9630 -0.9114000 2.499000 
1 1 1   38   10   21 o   4.0760   1.2920   3.7560   1.6210   4.3970   2.0120 -0.6411000 2.584000 
1 1 1   38   10   22 o   3.7020   1.2140   3.7310   1.6420   3.6740   1.7900 0.5697000E-01 2.428000 
1 1 1   38   10   23 o   6.1330   1.4710   7.3920   1.8250   4.8740   2.3070 2.517000 2.942000 
1 1 1   38   10   24 o   5.3130   1.5090   4.6300   1.8480   5.9950   2.3860 -1.366000 3.018000 
1 1 1   38   10   25 o   3.6420   1.2310   3.2130   1.5240   4.0710   1.9340 -0.8582000 2.462000 
1 1 1   38   10   26 o   3.5670   1.2210   2.9450   1.4550   4.1880   1.9620 -1.243000 2.442000 
1 1 1   38   10   27 o   2.9230   1.0380   3.2010   1.5620   2.6460   1.3660 0.5552000 2.075000 
1 1 1   38   10   28 o   2.5160   0.9133   1.9740   1.0110   3.0590   1.5210 -1.085000 1.827000 
1 1 1   38   12    0 o   17.340   0.4590   17.330   0.6069   17.340   0.6887 -0.3593000E-02 0.9180000 
1 1 1   38   12    1 o   12.200   0.6333   11.960   0.8450   12.450   0.9436 -0.4913000 1.267000 
1 1 1   38   12    2 o   16.470   0.6085   17.740   0.7029   15.190   0.9935 2.544000 1.217000 
1 1 1   38   12    3 o   22.330   0.4909   22.100   0.6190   22.570   0.7620 -0.4739000 0.9817000 
1 1 1   38   12    4 o   13.930   0.5302   13.750   0.7054   14.100   0.7917 -0.3563000 1.060000 
1 1 1   38   12    5 o   28.390   0.3320   28.490   0.4490   28.280   0.4891 0.2104000 0.6640000 
1 1 1   38   12    6 o   12.300   0.5925   11.700   0.8199   12.890   0.8556 -1.192000 1.185000 
1 1 1   38   12    7 o   11.440   0.6234   11.090   0.8625   11.780   0.9003 -0.6838000 1.247000 
1 1 1   38   12    8 o   10.470   0.7091   10.360   0.9419   10.580   1.0600 -0.2166000 1.418000 
1 1 1   38   12    9 o   8.5900   0.8585   8.3070   1.1890   8.8730   1.2380 -0.5654000 1.717000 
1 1 1   38   12   10 o   9.1150   0.8211   9.4700   1.0740   8.7590   1.2420 0.7107000 1.642000 
1 1 1   38   12   11 o   12.970   0.6601   13.670   0.8582   12.270   1.0030 1.399000 1.320000 
1 1 1   38   12   12 o   20.330   0.6148   20.110   0.9379   20.560   0.7952 -0.4527000 1.230000 
1 1 1   38   12   13 o   5.0080   1.3060   5.1690   1.9290   4.8470   1.7610 0.3220000 2.612000 
1 1 1   38   12   14 o   11.770   0.6628   12.190   0.8590   11.350   1.0100 0.8439000 1.326000 
1 1 1   38   12   15 o   13.940   0.6277   12.900   0.9705   14.980   0.7965 -2.083000 1.255000 
1 1 1   38   12   16 o   5.1080   1.1910   3.9430   1.6240   6.2720   1.7410 -2.328000 2.381000 
1 1 1   38   12   17 o   4.4110   1.2760   4.9040   1.8350   3.9190   1.7740 0.9852000 2.553000 
1 1 1   38   12   18 o   6.3060   1.2290   5.4530   1.7400   7.1590   1.7350 -1.706000 2.458000 
1 1 1   38   12   19 o   4.9500   1.2880   4.9280   1.7850   4.9720   1.8580 -0.4421000E-01 2.577000 
1 1 1   38   12   20 o   3.0340   1.0360   2.9410   1.4410   3.1270   1.4890 -0.1862000 2.072000 
1 1 1   38   12   21 o   4.9120   1.3660   5.1870   1.9270   4.6360   1.9360 0.5509000 2.732000 
1 1 1   38   12   22 f   3.7750   1.2080   2.9610   1.4460   4.5900   1.9360 -1.628000 2.416000 
1 1 1   38   12   23 o   4.3470   1.2750   4.7480   1.8590   3.9450   1.7460 0.8031000 2.551000 
1 1 1   38   12   24 o   4.0800   1.2410   4.5070   1.8320   3.6530   1.6760 0.8537000 2.482000 
1 1 1   38   12   25 o   3.8030   1.2440   3.5430   1.6760   4.0620   1.8400 -0.5183000 2.489000 
1 1 1   38   12   26 o   2.9490   1.0320   2.6690   1.3450   3.2280   1.5660 -0.5591000 2.064000 
1 1 1   38   12   27 o   2.7540   0.9576   2.1730   1.1050   3.3340   1.5640 -1.161000 1.915000 
1 1 1   38   14    0 o   17.850   0.4793   17.760   0.6405   17.930   0.7132 -0.1741000 0.9586000 
1 1 1   38   14    1 o   32.760   0.3759   32.380   0.5064   33.140   0.5557 -0.7647000 0.7519000 
1 1 1   38   14    2 o   11.630   0.6451   12.040   0.8121   11.220   1.0030 0.8224000 1.290000 
1 1 1   38   14    3 o   45.160   0.3502   44.880   0.4869   45.450   0.5035 -0.5757000 0.7004000 
1 1 1   38   14    4 o   36.130   0.3306   36.190   0.4545   36.070   0.4803 0.1225000 0.6613000 
1 1 1   38   14    5 o   7.5660   0.9760   8.1480   1.2080   6.9850   1.5340 1.164000 1.952000 
1 1 1   38   14    6 o   16.070   0.4632   15.380   0.6334   16.760   0.6759 -1.383000 0.9263000 
1 1 1   38   14    7 o   4.4640   1.1560   5.2430   1.6850   3.6850   1.5840 1.558000 2.313000 
1 1 1   38   14    8 o   9.5050   0.8593   8.8270   1.2740   10.180   1.1530 -1.356000 1.719000 
1 1 1   38   14    9 o   5.7180   1.2500   6.2170   1.7300   5.2180   1.8050 0.9989000 2.500000 
1 1 1   38   14   10 o   11.880   0.6368   11.600   0.8857   12.160   0.9152 -0.5560000 1.274000 
1 1 1   38   14   11 f   4.6930   1.3080   4.4500   1.8400   4.9350   1.8590 -0.4851000 2.616000 
1 1 1   38   14   12 f   4.6490   1.2600   4.1450   1.7870   5.1530   1.7760 -1.008000 2.520000 
1 1 1   38   14   13 o   4.2700   1.1210   5.4380   1.7080   3.1020   1.4510 2.336000 2.241000 
1 1 1   38   14   14 o   6.1300   1.2010   5.3180   1.7090   6.9410   1.6890 -1.623000 2.403000 
1 1 1   38   14   15 o   5.0020   1.2320   5.5100   1.7270   4.4940   1.7560 1.016000 2.463000 
1 1 1   38   14   16 o   5.8190   1.3270   4.1900   1.7540   7.4470   1.9930 -3.257000 2.655000 
1 1 1   38   14   17 o   3.5660   1.1590   2.5510   1.2700   4.5810   1.9390 -2.030000 2.318000 
1 1 1   38   14   18 o   4.4510   1.2470   4.7110   1.7730   4.1900   1.7540 0.5212000 2.494000 
1 1 1   38   14   19 o   4.9340   1.2850   5.3030   1.8030   4.5650   1.8320 0.7381000 2.571000 
1 1 1   38   14   20 o   4.3210   1.2970   4.3920   1.8120   4.2500   1.8560 0.1427000 2.593000 
1 1 1   38   14   21 o   6.1390   1.2720   4.2860   1.7940   7.9910   1.8050 -3.705000 2.545000 
1 1 1   38   14   22 f   3.3600   1.1130   3.1230   1.4920   3.5960   1.6510 -0.4734000 2.225000 
1 1 1   38   14   23 o   4.2200   1.2650   3.9120   1.7250   4.5270   1.8510 -0.6145000 2.530000 
1 1 1   38   14   24 o   3.2790   1.1090   4.0170   1.8120   2.5410   1.2800 1.477000 2.219000 
1 1 1   38   14   25 o   3.0080   1.0660   2.8630   1.4460   3.1530   1.5660 -0.2897000 2.131000 
1 1 1   38   14   26 o   2.9380   1.0110   2.6810   1.3390   3.1940   1.5150 -0.5129000 2.022000 
1 1 1   38   16    0 o   14.770   0.4899   14.160   0.6859   15.380   0.6997 -1.217000 0.9798000 
1 1 1   38   16    1 o   4.1430   1.1240   4.5290   1.6030   3.7570   1.5760 0.7720000 2.248000 
1 1 1   38   16    2 o   21.740   0.3677   21.180   0.5102   22.300   0.5297 -1.118000 0.7355000 
1 1 1   38   16    3 o   16.800   0.4801   16.560   0.6640   17.040   0.6937 -0.4782000 0.9602000 
1 1 1   38   16    4 o   23.450   0.3969   23.270   0.5469   23.630   0.5753 -0.3578000 0.7937000 
1 1 1   38   16    5 o   16.400   0.5133   15.410   0.7336   17.380   0.7180 -1.965000 1.027000 
1 1 1   38   16    6 o   14.060   0.5780   14.110   0.7805   14.010   0.8527 0.9744000E-01 1.156000 
1 1 1   38   16    7 o   22.580   0.3751   22.540   0.5083   22.630   0.5517 -0.9586000E-01 0.7502000 
1 1 1   38   16    8 o   11.550   0.6587   11.150   0.9245   11.950   0.9385 -0.7963000 1.317000 
1 1 1   38   16    9 o   14.220   0.6168   13.630   0.7959   14.810   0.9424 -1.173000 1.234000 
1 1 1   38   16   10 o   9.3640   1.0780   9.5040   1.4910   9.2240   1.5580 0.2795000 2.157000 
1 1 1   38   16   11 o   6.5030   1.1840   6.0260   1.6810   6.9800   1.6680 -0.9545000 2.368000 
1 1 1   38   16   12 o   9.2950   0.9036   7.8780   1.4040   10.710   1.1380 -2.834000 1.807000 
1 1 1   38   16   13 o   10.570   0.7766   10.800   1.0220   10.350   1.1700 0.4463000 1.553000 
1 1 1   38   16   14 o   3.5730   1.1180   3.7900   1.6150   3.3570   1.5460 0.4330000 2.235000 
1 1 1   38   16   15 o   4.4280   1.3190   3.9320   1.7050   4.9240   2.0120 -0.9916000 2.637000 
1 1 1   38   16   16 o   4.1640   1.2650   4.4360   1.8040   3.8920   1.7730 0.5439000 2.529000 
1 1 1   38   16   17 o   4.8110   1.2880   5.1520   1.8300   4.4700   1.8140 0.6820000 2.577000 
1 1 1   38   16   18 o   4.5560   1.2590   5.6460   1.9210   3.4660   1.6280 2.180000 2.518000 
1 1 1   38   16   19 o   3.2890   1.1060   3.5090   1.6320   3.0690   1.4940 0.4401000 2.213000 
1 1 1   38   16   20 o   3.5560   1.1480   3.0010   1.4450   4.1110   1.7830 -1.110000 2.295000 
1 1 1   38   16   21 o   3.1620   1.0660   3.1550   1.4980   3.1690   1.5170 -0.1467000E-01 2.132000 
1 1 1   38   16   22 o   2.9320   1.0060   2.6010   1.2910   3.2630   1.5430 -0.6620000 2.012000 
1 1 1   38   16   23 o   3.2680   1.1080   3.4000   1.6260   3.1350   1.5060 0.2642000 2.216000 
1 1 1   38   16   24 o   2.9440   1.0460   2.8640   1.4440   3.0240   1.5130 -0.1599000 2.092000 
1 1 1   38   16   25 o   2.6400   0.9244   2.8590   1.3930   2.4210   1.2160 0.4379000 1.849000 
1 1 1   38   18    0 o   7.0610   1.0150   7.1100   1.3820   7.0120   1.4880 0.9796000E-01 2.031000 
1 1 1   38   18    1 o   21.350   0.3796   21.930   0.5025   20.770   0.5690 1.168000 0.7591000 
1 1 1   38   18    2 o   8.1390   0.8962   7.8180   1.2510   8.4610   1.2830 -0.6439000 1.792000 
1 1 1   38   18    3 o   7.9260   0.9359   7.2410   1.3630   8.6100   1.2830 -1.369000 1.872000 
1 1 1   38   18    4 f   5.2730   1.1980   5.1360   1.6420   5.4100   1.7440 -0.2739000 2.395000 
1 1 1   38   18    5 o   12.740   0.5976   12.350   0.8283   13.140   0.8617 -0.7872000 1.195000 
1 1 1   38   18    6 o   5.1350   1.2180   5.3160   1.6790   4.9540   1.7640 0.3620000 2.435000 
1 1 1   38   18    7 o   16.840   0.4822   16.240   0.6694   17.450   0.6942 -1.207000 0.9643000 
1 1 1   38   18    8 o   9.5850   1.0510   9.8850   1.3770   9.2850   1.5880 0.6000000 2.102000 
1 1 1   38   18    9 o   13.020   0.6957   13.160   1.0430   12.870   0.9214 0.2827000 1.391000 
1 1 1   38   18   10 o   3.4480   1.1020   3.8320   1.6590   3.0650   1.4490 0.7666000 2.203000 
1 1 1   38   18   11 o   4.0140   1.1890   4.2720   1.7150   3.7550   1.6480 0.5166000 2.378000 
1 1 1   38   18   12 o   16.320   0.5346   16.290   0.7319   16.350   0.7794 -0.6276000E-01 1.069000 
1 1 1   38   18   13 o   21.110   0.4607   21.240   0.6241   20.980   0.6777 0.2530000 0.9213000 
1 1 1   38   18   14 o   4.2690   1.3100   4.3490   1.8280   4.1890   1.8770 0.1605000 2.621000 
1 1 1   38   18   15 o   5.0370   1.3010   5.5400   1.8510   4.5350   1.8290 1.005000 2.602000 
1 1 1   38   18   16 o   7.2970   1.2300   9.2570   1.4940   5.3370   1.9550 3.921000 2.460000 
1 1 1   38   18   17 o   4.2740   1.2780   3.3360   1.5750   5.2110   2.0120 -1.875000 2.555000 
1 1 1   38   18   18 f   3.1260   1.0580   2.9190   1.4110   3.3330   1.5760 -0.4139000 2.115000 
1 1 1   38   18   19 o   4.2500   1.2280   5.3010   1.9260   3.1990   1.5250 2.101000 2.457000 
1 1 1   38   18   20 o   4.0820   1.2610   3.9960   1.7540   4.1690   1.8130 -0.1734000 2.523000 
1 1 1   38   18   21 o   3.6760   1.1790   3.2280   1.5270   4.1230   1.7970 -0.8950000 2.358000 
1 1 1   38   18   22 f   3.3700   1.1430   3.3090   1.5870   3.4300   1.6470 -0.1213000 2.287000 
1 1 1   38   18   23 o   2.2590   0.8169   2.5020   1.2640   2.0150   1.0360 0.4877000 1.634000 
1 1 1   38   18   24 o   2.6500   0.9688   2.3160   1.1880   2.9850   1.5310 -0.6699000 1.938000 
1 1 1   38   20    0 o   6.7390   1.1120   6.7450   1.5060   6.7340   1.6370 0.1083000E-01 2.225000 
1 1 1   38   20    1 o   7.9330   0.9570   7.0000   1.4300   8.8670   1.2720 -1.867000 1.914000 
1 1 1   38   20    2 o   10.640   0.7277   11.700   0.8626   9.5790   1.1720 2.121000 1.455000 
1 1 1   38   20    3 f   13.190   0.5756   13.370   0.7623   13.020   0.8626 0.3517000 1.151000 
1 1 1   38   20    4 o   4.6080   1.1950   3.8780   1.5940   5.3380   1.7810 -1.460000 2.391000 
1 1 1   38   20    5 o   12.540   0.8040   12.650   1.0480   12.420   1.2190 0.2339000 1.608000 
1 1 1   38   20    6 o   5.9330   1.3940   5.0560   1.9090   6.8110   2.0320 -1.755000 2.788000 
1 1 1   38   20    7 o   13.060   0.6320   12.430   0.8691   13.690   0.9178 -1.265000 1.264000 
1 1 1   38   20    8 o   14.220   0.6083   15.360   0.7348   13.070   0.9697 2.298000 1.217000 
1 1 1   38   20    9 f   12.220   0.7135   12.560   0.9250   11.880   1.0870 0.6724000 1.427000 
1 1 1   38   20   10 o   3.0870   1.0280   3.1150   1.4530   3.0590   1.4540 0.5662000E-01 2.055000 
1 1 1   38   20   11 o   4.8960   1.2780   4.9660   1.7760   4.8270   1.8390 0.1386000 2.557000 
1 1 1   38   20   12 o   3.2630   1.1010   2.8090   1.3780   3.7180   1.7180 -0.9098000 2.203000 
1 1 1   38   20   13 o   4.3530   1.3590   4.5780   1.9630   4.1280   1.8810 0.4496000 2.719000 
1 1 1   38   20   14 o   3.3680   1.1190   2.7270   1.3540   4.0080   1.7820 -1.281000 2.238000 
1 1 1   38   20   15 o   4.3890   1.1990   2.8460   1.3840   5.9330   1.9590 -3.088000 2.399000 
1 1 1   38   20   16 o   3.4260   1.1260   2.9310   1.4180   3.9210   1.7490 -0.9897000 2.252000 
1 1 1   38   20   17 o   3.6450   1.1780   3.5030   1.6150   3.7870   1.7140 -0.2834000 2.355000 
1 1 1   38   20   18 o   3.9420   1.2140   4.4850   1.8330   3.3980   1.5930 1.087000 2.429000 
1 1 1   38   20   19 o   3.3420   1.1080   3.7230   1.6850   2.9610   1.4390 0.7616000 2.216000 
1 1 1   38   20   20 o   3.2070   1.1010   3.2420   1.5680   3.1720   1.5470 0.6998000E-01 2.202000 
1 1 1   38   20   21 o   2.8510   0.9937   2.8670   1.4020   2.8350   1.4080 0.3289000E-01 1.987000 
1 1 1   38   20   22 o   2.3830   0.8531   2.3300   1.1830   2.4350   1.2290 -0.1049000 1.706000 
1 1 1   38   22    0 o   9.2620   1.0280   9.8930   1.1260   8.6320   1.7200 1.260000 2.056000 
1 1 1   38   22    1 o   4.7400   1.2920   5.7480   1.9330   3.7330   1.7150 2.015000 2.584000 
1 1 1   38   22    2 o   6.6390   1.2710   8.4970   1.6300   4.7820   1.9510 3.715000 2.542000 
1 1 1   38   22    3 o   5.9200   1.4060   5.3120   1.9540   6.5290   2.0210 -1.217000 2.811000 
1 1 1   38   22    4 o   16.800   0.5073   16.890   0.6883   16.710   0.7455 0.1879000 1.015000 
1 1 1   38   22    5 o   10.480   0.7830   10.700   1.0390   10.260   1.1720 0.4392000 1.566000 
1 1 1   38   22    6 o   7.4830   1.0980   9.2080   1.2140   5.7570   1.8300 3.450000 2.196000 
1 1 1   38   22    7 o   10.080   0.8553   10.720   1.0610   9.4350   1.3420 1.284000 1.711000 
1 1 1   38   22    8 o   5.6880   1.2400   6.7670   1.6850   4.6080   1.8210 2.160000 2.481000 
1 1 1   38   22    9 o   5.8640   1.3690   5.2520   1.9310   6.4760   1.9430 -1.224000 2.739000 
1 1 1   38   22   10 o   5.5820   1.4620   6.1600   2.0820   5.0050   2.0540 1.154000 2.925000 
1 1 1   38   22   11 o   7.5610   1.4740   6.8200   2.0800   8.3010   2.0880 -1.481000 2.947000 
1 1 1   38   22   12 o   5.2490   1.3260   5.3950   1.8410   5.1030   1.9080 0.2921000 2.652000 
1 1 1   38   22   13 f   4.9940   1.3290   4.5790   1.8080   5.4100   1.9500 -0.8315000 2.659000 
1 1 1   38   22   14 o   3.9800   1.2030   4.7050   1.8430   3.2560   1.5450 1.448000 2.406000 
1 1 1   38   22   15 o   3.7540   1.1970   3.6180   1.6430   3.8900   1.7430 -0.2718000 2.395000 
1 1 1   38   22   16 o   3.3630   1.1130   3.4820   1.6040   3.2440   1.5430 0.2376000 2.226000 
1 1 1   38   22   17 f   3.2640   1.1040   3.7910   1.7350   2.7370   1.3650 1.054000 2.208000 
1 1 1   38   22   18 o   3.6130   1.1860   2.7500   1.3680   4.4770   1.9370 -1.728000 2.371000 
1 1 1   38   22   19 o   2.7390   0.9548   2.3650   1.1900   3.1130   1.4940 -0.7478000 1.910000 
1 1 1   38   22   20 o   2.9560   1.0240   2.8650   1.4130   3.0480   1.4840 -0.1828000 2.049000 
1 1 1   38   24    0 o   4.1860   1.2180   3.8700   1.6440   4.5020   1.7990 -0.6320000 2.437000 
1 1 1   38   24    1 o   3.1030   1.0300   3.2940   1.5080   2.9120   1.4030 0.3824000 2.060000 
1 1 1   38   24    2 o   14.660   0.6141   15.940   0.7612   13.380   0.9639 2.560000 1.228000 
1 1 1   38   24    3 f   6.7730   1.3300   5.8810   1.9470   7.6640   1.8130 -1.783000 2.661000 
1 1 1   38   24    4 o   3.7160   1.1800   4.0330   1.7480   3.3990   1.5840 0.6341000 2.359000 
1 1 1   38   24    5 o   3.7590   1.1950   3.8610   1.7160   3.6580   1.6630 0.2035000 2.389000 
1 1 1   38   24    6 o   14.260   0.7115   14.810   0.9593   13.720   1.0510 1.087000 1.423000 
1 1 1   38   24    7 o   4.8480   1.4050   4.6500   1.8760   5.0450   2.0920 -0.3948000 2.809000 
1 1 1   38   24    8 o   4.6490   1.3560   4.4630   1.8500   4.8350   1.9840 -0.3721000 2.712000 
1 1 1   38   24    9 o   4.3670   1.2660   3.9700   1.7020   4.7650   1.8740 -0.7953000 2.532000 
1 1 1   38   24   10 o   5.0480   1.3320   4.7860   1.8370   5.3100   1.9280 -0.5243000 2.663000 
1 1 1   38   24   11 o   6.9670   1.2090   9.1360   1.4510   4.7980   1.9330 4.339000 2.417000 
1 1 1   38   24   12 o   3.7200   1.1780   4.1420   1.7560   3.2990   1.5700 0.8426000 2.356000 
1 1 1   38   24   13 o   3.8030   1.1890   4.4190   1.8250   3.1870   1.5260 1.232000 2.379000 
1 1 1   38   24   14 o   3.9030   1.2540   3.3150   1.5910   4.4900   1.9390 -1.176000 2.509000 
1 1 1   38   24   15 o   3.5900   1.1900   3.3170   1.5910   3.8630   1.7700 -0.5460000 2.380000 
1 1 1   38   24   16 o   2.7370   0.9527   2.5690   1.2760   2.9060   1.4150 -0.3371000 1.905000 
1 1 1   38   24   17 o   2.5850   0.9081   2.5770   1.2800   2.5930   1.2890 -0.1625000E-01 1.816000 
1 1 1   38   24   18 o   2.1940   0.7979   2.2780   1.1590   2.1100   1.0970 0.1674000 1.596000 
1 1 1   38   26    0 o   15.160   0.6880   15.660   0.8146   14.660   1.1090 1.001000 1.376000 
1 1 1   38   26    1 o   9.0940   1.0410   10.280   1.2210   7.9120   1.6860 2.364000 2.082000 
1 1 1   38   26    2 o   16.120   0.5802   15.870   0.8024   16.370   0.8382 -0.5037000 1.160000 
1 1 1   38   26    3 o   11.360   0.9465   10.730   1.3650   11.980   1.3110 -1.242000 1.893000 
1 1 1   38   26    4 o   3.8960   1.2140   4.7750   1.9260   3.0170   1.4780 1.758000 2.428000 
1 1 1   38   26    5 o   6.8370   1.3490   5.0920   1.9580   8.5830   1.8580 -3.491000 2.699000 
1 1 1   38   26    6 o   3.3400   1.1010   3.2580   1.5240   3.4210   1.5880 -0.1626000 2.201000 
1 1 1   38   26    7 o   4.5490   1.2790   4.9470   1.8500   4.1520   1.7660 0.7953000 2.557000 
1 1 1   38   26    8 o   3.5820   1.1490   3.7090   1.6550   3.4540   1.5950 0.2551000 2.298000 
1 1 1   38   26    9 o   3.5370   1.1380   3.1170   1.4780   3.9580   1.7310 -0.8401000 2.276000 
1 1 1   38   26   10 o   3.4070   1.1410   3.6210   1.6800   3.1920   1.5430 0.4289000 2.281000 
1 1 1   38   26   11 o   3.0940   1.0650   3.0450   1.4850   3.1430   1.5270 -0.9840000E-01 2.130000 
1 1 1   38   26   12 o   3.3600   1.1260   3.8040   1.7340   2.9150   1.4380 0.8887000 2.253000 
1 1 1   38   26   13 o   2.9120   0.9995   2.5880   1.2820   3.2350   1.5340 -0.6470000 1.999000 
1 1 1   38   26   14 o   2.0880   0.7542   2.3110   1.1640   1.8640   0.9594 0.4471000 1.508000 
1 1 1   38   26   15 o   2.5430   0.8952   2.2850   1.1500   2.8020   1.3720 -0.5171000 1.790000 
1 1 1   38   28    0 o   4.6130   1.2840   4.2270   1.7460   4.9990   1.8830 -0.7724000 2.567000 
1 1 1   38   28    1 o   6.2810   1.1500   8.6010   1.5230   3.9620   1.7240 4.640000 2.300000 
1 1 1   38   28    2 o   4.0660   1.2320   3.9140   1.6980   4.2170   1.7860 -0.3025000 2.464000 
1 1 1   38   28    3 o   4.1170   1.2460   3.9770   1.7270   4.2570   1.7960 -0.2798000 2.491000 
1 1 1   38   28    4 o   3.9420   1.2530   3.8660   1.7520   4.0170   1.7910 -0.1505000 2.506000 
1 1 1   38   28    5 o   3.7520   1.2030   4.4350   1.8870   3.0700   1.4940 1.365000 2.407000 
1 1 1   38   28    6 o   3.4270   1.1430   3.6890   1.7000   3.1660   1.5290 0.5237000 2.286000 
1 1 1   38   28    7 o   2.9270   1.0120   2.7020   1.3400   3.1530   1.5170 -0.4511000 2.024000 
1 1 1   38   28    8 o   2.2150   0.7932   2.1760   1.1030   2.2540   1.1400 -0.7756000E-01 1.586000 
1 1 1   38   28    9 o   2.9200   0.9967   2.9890   1.4320   2.8500   1.3870 0.1390000 1.993000 
1 1 1   38   28   10 f   2.9060   0.9898   3.1900   1.4980   2.6230   1.2940 0.5663000 1.980000 
1 1 1   38   28   11 o   2.1740   0.7793   2.1880   1.1080   2.1610   1.0970 0.2738000E-01 1.559000 
1 1 1   38   30    0 o   2.8850   0.9816   2.8120   1.3590   2.9590   1.4170 -0.1471000 1.963000 
1 1 1   38   30    1 o   3.4930   1.1090   3.1060   1.4580   3.8790   1.6720 -0.7734000 2.219000 
1 1 1   38   30    2 o   2.3970   0.8472   2.4160   1.2050   2.3780   1.1910 0.3751000E-01 1.694000 
1 1 1   38   30    3 o   2.1930   0.7844   2.1060   1.0690   2.2800   1.1480 -0.1741000 1.569000 
1 1 1   38   30    4 o   2.8740   0.9731   3.5520   1.5980   2.1960   1.1110 1.356000 1.946000 
1 1 1   38   30    5 o   2.0690   0.7448   1.9400   0.9925   2.1970   1.1110 -0.2568000 1.490000 
1 1 1   39    1    0 o   61.750   0.4373   61.770   0.6603   61.730   0.5736 0.3950000E-01 0.8746000 
1 1 1   39    1    1 f   31.180   0.3172   30.580   0.4037   31.770   0.4893 -1.194000 0.6343000 
1 1 1   39    1    2 o   61.620   0.4094   61.680   0.5801   61.570   0.5780 0.1111000 0.8189000 
1 1 1   39    1    3 o   33.230   0.4076   32.770   0.5074   33.690   0.6382 -0.9198000 0.8153000 
1 1 1   39    1    4 o   34.680   0.3651   34.540   0.5029   34.820   0.5295 -0.2772000 0.7303000 
1 1 1   39    1    5 o   50.750   0.4208   51.040   0.5922   50.460   0.5980 0.5773000 0.8416000 
1 1 1   39    1    6 o   66.470   0.4428   66.580   0.6269   66.360   0.6256 0.2277000 0.8856000 
1 1 1   39    1    7 o   40.280   0.3331   40.280   0.4716   40.280   0.4704 -0.1740000E-02 0.6661000 
1 1 1   39    1    8 o   7.3510   1.0470   8.5510   1.2730   6.1510   1.6620 2.400000 2.093000 
1 1 1   39    1    9 o   30.210   0.3357   30.220   0.4763   30.200   0.4732 0.1370000E-01 0.6714000 
1 1 1   39    1   10 o   27.930   0.3426   28.450   0.4826   27.400   0.4865 1.050000 0.6853000 
1 1 1   39    1   11 o   23.370   0.3702   23.500   0.5202   23.230   0.5269 0.2725000 0.7405000 
1 1 1   39    1   12 o   4.9050   1.1800   4.0510   1.6370   5.7600   1.7000 -1.708000 2.360000 
1 1 1   39    1   13 o   4.8050   1.3210   5.3080   1.9340   4.3010   1.8000 1.007000 2.642000 
1 1 1   39    1   14 o   4.6380   1.1980   5.5960   1.8050   3.6810   1.5770 1.915000 2.397000 
1 1 1   39    1   15 o   9.3050   0.7897   9.6210   1.0560   8.9880   1.1740 0.6333000 1.579000 
1 1 1   39    1   16 o   14.800   0.5029   14.900   0.7018   14.690   0.7206 0.2084000 1.006000 
1 1 1   39    1   17 o   21.770   0.3876   21.540   0.5455   21.990   0.5507 -0.4508000 0.7751000 
1 1 1   39    1   18 o   5.5740   1.4820   4.9880   2.0180   6.1590   2.1710 -1.171000 2.964000 
1 1 1   39    1   19 o   7.1720   1.0710   8.6770   1.2280   5.6670   1.7550 3.010000 2.142000 
1 1 1   39    1   20 o   7.5310   1.0410   6.9470   1.5620   8.1150   1.3780 -1.169000 2.083000 
1 1 1   39    1   21 o   9.9630   0.8254   10.220   1.1270   9.7110   1.2060 0.5056000 1.651000 
1 1 1   39    1   22 o   3.7760   1.1640   3.7080   1.6270   3.8440   1.6640 -0.1358000 2.327000 
1 1 1   39    1   23 o   3.6160   1.1430   3.3120   1.5250   3.9200   1.7020 -0.6083000 2.286000 
1 1 1   39    1   24 o   4.4810   1.2840   4.8740   1.8630   4.0880   1.7670 0.7859000 2.568000 
1 1 1   39    1   25 o   5.3400   1.3660   5.0830   1.9290   5.5980   1.9360 -0.5156000 2.732000 
1 1 1   39    1   26 o   5.1860   1.4990   6.1010   2.2870   4.2700   1.9390 1.832000 2.998000 
1 1 1   39    1   27 o   4.1890   1.2610   4.6980   1.8820   3.6800   1.6800 1.018000 2.523000 
1 1 1   39    1   28 o   2.9360   1.0080   3.3020   1.5530   2.5710   1.2850 0.7310000 2.016000 
1 1 1   39    1   29 o   2.7430   0.9562   2.6940   1.3310   2.7920   1.3730 -0.9806000E-01 1.912000 
1 1 1   39    3    0 o   69.060   0.6324   68.760   0.8913   69.350   0.8975 -0.5962000 1.265000 
1 1 1   39    3    1 o   63.520   0.4817   63.440   0.6823   63.600   0.6803 -0.1569000 0.9635000 
1 1 1   39    3    2 o   58.990   0.3956   58.960   0.5595   59.020   0.5595 -0.6365000E-01 0.7913000 
1 1 1   39    3    3 o   16.390   0.4136   16.830   0.5858   15.950   0.5840 0.8715000 0.8271000 
1 1 1   39    3    4 o   15.510   0.4465   15.380   0.6425   15.640   0.6202 -0.2545000 0.8930000 
1 1 1   39    3    5 o   28.290   0.3877   27.930   0.5249   28.650   0.5706 -0.7240000 0.7753000 
1 1 1   39    3    6 o   18.590   0.4137   18.600   0.5872   18.580   0.5830 0.1339000E-01 0.8275000 
1 1 1   39    3    7 o   7.7650   0.9771   7.0100   1.5160   8.5200   1.2340 -1.509000 1.954000 
1 1 1   39    3    8 o   23.050   0.3691   22.970   0.5222   23.130   0.5217 -0.1594000 0.7381000 
1 1 1   39    3    9 o   19.770   0.4106   20.070   0.5791   19.470   0.5823 0.6025000 0.8213000 
1 1 1   39    3   10 o   10.980   0.6877   10.080   1.0500   11.890   0.8885 -1.806000 1.375000 
1 1 1   39    3   11 o   10.560   0.7146   11.130   0.9487   9.9840   1.0690 1.141000 1.429000 
1 1 1   39    3   12 o   20.690   0.4317   21.250   0.5782   20.120   0.6413 1.138000 0.8634000 
1 1 1   39    3   13 o   4.1940   1.2140   3.8400   1.6750   4.5490   1.7570 -0.7093000 2.427000 
1 1 1   39    3   14 o   4.7050   1.1960   3.6410   1.6110   5.7680   1.7680 -2.127000 2.392000 
1 1 1   39    3   15 o   10.810   0.6936   12.080   0.8499   9.5450   1.0960 2.534000 1.387000 
1 1 1   39    3   16 o   12.520   0.5934   12.890   0.7978   12.140   0.8786 0.7474000 1.187000 
1 1 1   39    3   17 o   14.750   0.6030   15.200   0.8535   14.300   0.8522 0.8990000 1.206000 
1 1 1   39    3   18 o   4.2960   1.2750   4.0590   1.7090   4.5330   1.8910 -0.4740000 2.549000 
1 1 1   39    3   19 o   3.1470   1.0560   2.9080   1.3920   3.3870   1.5880 -0.4790000 2.111000 
1 1 1   39    3   20 o   4.0600   1.1550   3.5130   1.5350   4.6070   1.7260 -1.094000 2.310000 
1 1 1   39    3   21 o   4.1480   1.1950   3.9230   1.6400   4.3730   1.7380 -0.4500000 2.390000 
1 1 1   39    3   22 o   4.5190   1.2380   4.9420   1.7730   4.0950   1.7270 0.8476000 2.475000 
1 1 1   39    3   23 o   3.1610   1.0480   2.5680   1.2680   3.7530   1.6690 -1.184000 2.096000 
1 1 1   39    3   24 o   4.7090   1.3000   4.2740   1.7620   5.1440   1.9130 -0.8702000 2.601000 
1 1 1   39    3   25 o   3.8020   1.2300   3.7250   1.7030   3.8790   1.7760 -0.1543000 2.460000 
1 1 1   39    3   26 o   3.2830   1.1240   3.1210   1.5270   3.4450   1.6510 -0.3239000 2.249000 
1 1 1   39    3   27 o   3.1070   1.0570   3.0620   1.4750   3.1520   1.5150 -0.9052000E-01 2.115000 
1 1 1   39    3   28 f   3.1240   1.0560   3.5910   1.6470   2.6570   1.3230 0.9338000 2.113000 
1 1 1   39    3   29 o   2.6380   0.9366   2.7280   1.3630   2.5470   1.2850 0.1811000 1.873000 
1 1 1   39    5    0 o   22.820   0.3488   22.680   0.5287   22.950   0.4552 -0.2717000 0.6977000 
1 1 1   39    5    1 o   44.280   0.3745   44.310   0.5259   44.250   0.5333 0.6112000E-01 0.7489000 
1 1 1   39    5    2 o   51.680   0.3614   51.520   0.5096   51.840   0.5125 -0.3224000 0.7228000 
1 1 1   39    5    3 o   40.240   0.3559   39.520   0.4451   40.960   0.5554 -1.442000 0.7117000 
1 1 1   39    5    4 o   48.970   0.3796   48.080   0.4938   49.870   0.5767 -1.785000 0.7593000 
1 1 1   39    5    5 o   33.510   0.3897   33.980   0.5359   33.040   0.5659 0.9422000 0.7794000 
1 1 1   39    5    6 o   15.820   0.4801   16.020   0.6528   15.610   0.7042 0.4133000 0.9603000 
1 1 1   39    5    7 o   25.060   0.3495   24.960   0.4912   25.160   0.4973 -0.2082000 0.6990000 
1 1 1   39    5    8 o   17.130   0.4511   17.600   0.6199   16.670   0.6554 0.9271000 0.9021000 
1 1 1   39    5    9 f   21.520   0.3886   21.650   0.5498   21.400   0.5494 0.2441000 0.7773000 
1 1 1   39    5   10 o   14.930   0.5573   15.380   0.7326   14.470   0.8399 0.9112000 1.115000 
1 1 1   39    5   11 o   31.720   0.3687   31.710   0.5036   31.730   0.5385 -0.1927000E-01 0.7373000 
1 1 1   39    5   12 f   13.440   0.5664   13.250   0.8066   13.630   0.7954 -0.3811000 1.133000 
1 1 1   39    5   13 o   7.2030   1.0570   7.2800   1.4490   7.1260   1.5380 0.1548000 2.113000 
1 1 1   39    5   14 o   9.7720   0.9139   11.430   1.0800   8.1170   1.4740 3.311000 1.828000 
1 1 1   39    5   15 o   22.430   0.3783   21.960   0.5283   22.910   0.5416 -0.9548000 0.7566000 
1 1 1   39    5   16 o   18.480   0.5025   18.850   0.7123   18.110   0.7090 0.7494000 1.005000 
1 1 1   39    5   17 o   9.4740   0.8287   10.070   1.0550   8.8760   1.2780 1.197000 1.657000 
1 1 1   39    5   18 o   4.3380   1.2570   3.6520   1.6050   5.0240   1.9340 -1.372000 2.513000 
1 1 1   39    5   19 o   4.3720   1.1300   5.8310   1.7540   2.9140   1.4260 2.916000 2.260000 
1 1 1   39    5   20 o   3.6250   1.0930   2.7550   1.3200   4.4940   1.7440 -1.739000 2.187000 
1 1 1   39    5   21 o   6.9810   1.1390   8.0400   1.3670   5.9220   1.8230 2.118000 2.279000 
1 1 1   39    5   22 o   3.4980   1.1120   3.5570   1.5760   3.4390   1.5680 0.1187000 2.223000 
1 1 1   39    5   23 o   5.3860   1.2960   5.9560   1.8030   4.8160   1.8630 1.140000 2.593000 
1 1 1   39    5   24 o   5.9520   1.3340   6.5340   1.8380   5.3700   1.9330 1.165000 2.667000 
1 1 1   39    5   25 f   4.1950   1.2970   4.4610   1.8790   3.9280   1.7890 0.5331000 2.594000 
1 1 1   39    5   26 o   3.7360   1.2220   3.5730   1.6650   3.9000   1.7890 -0.3271000 2.443000 
1 1 1   39    5   27 o   3.9970   1.2020   5.0370   1.9190   2.9560   1.4470 2.081000 2.403000 
1 1 1   39    5   28 o   3.2940   1.1010   3.0890   1.4880   3.5000   1.6220 -0.4107000 2.201000 
1 1 1   39    5   29 o   2.4990   0.8927   2.5760   1.2970   2.4230   1.2260 0.1532000 1.785000 
1 1 1   39    7    0 o   53.470   0.4923   53.510   0.6048   53.420   0.7771 0.9251000E-01 0.9847000 
1 1 1   39    7    1 o   48.400   0.4680   49.630   0.5721   47.170   0.7407 2.463000 0.9359000 
1 1 1   39    7    2 o   42.800   0.4276   41.640   0.4452   43.960   0.7302 -2.319000 0.8552000 
1 1 1   39    7    3 o   43.590   0.4356   42.880   0.4635   44.300   0.7377 -1.418000 0.8712000 
1 1 1   39    7    4 o   36.040   0.3513   36.270   0.4470   35.810   0.5421 0.4558000 0.7027000 
1 1 1   39    7    5 o   31.440   0.3976   32.090   0.5335   30.780   0.5896 1.311000 0.7951000 
1 1 1   39    7    6 o   13.380   0.5507   13.360   0.7484   13.410   0.8081 -0.5836000E-01 1.101000 
1 1 1   39    7    7 o   28.760   0.3397   28.940   0.4672   28.570   0.4934 0.3635000 0.6795000 
1 1 1   39    7    8 o   33.280   0.3333   33.330   0.4645   33.230   0.4780 0.9857000E-01 0.6665000 
1 1 1   39    7    9 o   12.760   0.6441   12.250   0.9019   13.280   0.9199 -1.030000 1.288000 
1 1 1   39    7   10 o   19.620   0.4347   20.100   0.5634   19.150   0.6621 0.9437000 0.8693000 
1 1 1   39    7   11 o   4.4760   1.1580   5.2950   1.6970   3.6570   1.5760 1.638000 2.316000 
1 1 1   39    7   12 o   4.0450   1.1430   4.4050   1.6530   3.6860   1.5780 0.7186000 2.285000 
1 1 1   39    7   13 o   13.120   0.6828   12.760   0.9920   13.480   0.9384 -0.7227000 1.366000 
1 1 1   39    7   14 o   16.930   0.5456   16.500   0.7860   17.350   0.7569 -0.8468000 1.091000 
1 1 1   39    7   15 o   17.440   0.5165   17.680   0.7216   17.200   0.7391 0.4829000 1.033000 
1 1 1   39    7   16 o   8.0770   0.9597   8.2490   1.2770   7.9050   1.4330 0.3443000 1.919000 
1 1 1   39    7   17 o   7.5060   1.0180   6.9480   1.4620   8.0630   1.4160 -1.115000 2.036000 
1 1 1   39    7   18 o   11.030   0.8558   10.500   1.1170   11.560   1.2970 -1.057000 1.712000 
1 1 1   39    7   19 o   3.1010   1.0190   3.0200   1.4010   3.1820   1.4810 -0.1623000 2.039000 
1 1 1   39    7   20 o   3.2930   1.0660   3.3260   1.5040   3.2600   1.5110 0.6583000E-01 2.132000 
1 1 1   39    7   21 f   4.6550   1.2820   4.9350   1.7840   4.3750   1.8420 0.5603000 2.565000 
1 1 1   39    7   22 o   3.7420   1.1810   3.8450   1.6500   3.6390   1.6900 0.2060000 2.362000 
1 1 1   39    7   23 o   6.3760   1.2510   8.1630   1.5020   4.5890   2.0010 3.574000 2.502000 
1 1 1   39    7   24 o   4.0930   1.2790   4.6540   1.9100   3.5330   1.7010 1.121000 2.558000 
1 1 1   39    7   25 o   3.1190   1.0690   3.2410   1.5300   2.9960   1.4930 0.2452000 2.138000 
1 1 1   39    7   26 o   3.0990   1.0900   3.0720   1.5030   3.1250   1.5790 -0.5225000E-01 2.180000 
1 1 1   39    7   27 o   4.4550   1.3650   4.3450   1.8370   4.5640   2.0190 -0.2187000 2.729000 
1 1 1   39    7   28 o   3.1630   1.1040   2.6830   1.3490   3.6420   1.7480 -0.9591000 2.208000 
1 1 1   39    9    0 o   57.850   0.3940   57.900   0.5530   57.810   0.5614 0.8667000E-01 0.7880000 
1 1 1   39    9    1 o   66.990   0.4445   67.200   0.6263   66.780   0.6308 0.4132000 0.8889000 
1 1 1   39    9    2 o   14.020   0.5613   13.030   0.7277   15.000   0.8549 -1.969000 1.123000 
1 1 1   39    9    3 o   22.890   0.3512   23.790   0.4548   21.980   0.5354 1.814000 0.7025000 
1 1 1   39    9    4 f   33.820   0.4724   35.030   0.5329   32.600   0.7801 2.427000 0.9448000 
1 1 1   39    9    5 o   23.880   0.5559   24.300   0.5602   23.470   0.9602 0.8344000 1.112000 
1 1 1   39    9    6 o   17.620   0.6157   17.620   0.6157  ?   ?       ?      ? 
1 1 1   39    9    7 f   18.920   0.5918   18.920   0.5918  ?   ?       ?      ? 
1 1 1   39    9    8 o   10.440   0.9449   10.440   0.9449  ?   ?       ?      ? 
1 1 1   39    9    9 o   16.040   0.6607   16.040   0.6607  ?   ?       ?      ? 
1 1 1   39    9   10 o   5.1640   1.6960   5.1640   1.6960  ?   ?       ?      ? 
1 1 1   39    9   11 o   8.1490   1.2710   8.1490   1.2710  ?   ?       ?      ? 
1 1 1   39    9   12 o   8.2860   1.2570   8.2860   1.2570  ?   ?       ?      ? 
1 1 1   39    9   13 o   7.1890   2.1530   7.1890   2.1530  ?   ?       ?      ? 
1 1 1   39    9   14 o   3.4550   1.5680   3.4550   1.5680  ?   ?       ?      ? 
1 1 1   39    9   15 o   8.0920   1.2530   8.0920   1.2530  ?   ?       ?      ? 
1 1 1   39    9   16 o   13.500   0.7693   13.500   0.7693  ?   ?       ?      ? 
1 1 1   39    9   17 o   4.1690   1.6510   4.1690   1.6510  ?   ?       ?      ? 
1 1 1   39    9   18 o   3.7650   1.6430   3.7650   1.6430  ?   ?       ?      ? 
1 1 1   39    9   19 o   4.3090   1.6910   4.3090   1.6910  ?   ?       ?      ? 
1 1 1   39    9   20 o   4.9720   1.7650   4.9720   1.7650  ?   ?       ?      ? 
1 1 1   39    9   21 o   8.8800   1.3720   8.8800   1.3720  ?   ?       ?      ? 
1 1 1   39    9   22 o   2.9840   1.4130   2.9840   1.4130  ?   ?       ?      ? 
1 1 1   39    9   23 o   3.5800   1.6470   3.5800   1.6470  ?   ?       ?      ? 
1 1 1   39    9   24 o   4.6310   1.8580   4.6310   1.8580  ?   ?       ?      ? 
1 1 1   39    9   25 o   4.2440   1.8070   4.2440   1.8070  ?   ?       ?      ? 
1 1 1   39    9   26 f   2.8220   1.4040   2.8220   1.4040  ?   ?       ?      ? 
1 1 1   39    9   27 o   2.7730   1.3910   2.7730   1.3910  ?   ?       ?      ? 
1 1 1   39    9   28 o   2.5380   1.2820   2.5380   1.2820  ?   ?       ?      ? 
1 1 1   39   11    0 o   41.250   0.4084   42.280   0.5549   40.220   0.5995 2.061000 0.8169000 
1 1 1   39   11    1 o   6.2720   1.1220   6.6960   1.3490   5.8470   1.7930 0.8494000 2.244000 
1 1 1   39   11    2 f   25.100   0.3820   25.070   0.4857   25.130   0.5897 -0.5596000E-01 0.7640000 
1 1 1   39   11    3 o   18.200   0.6068   18.250   0.6650   18.140   1.0150 0.1100000 1.214000 
1 1 1   39   11    4 o   37.030   0.5195   37.360   0.6066   36.700   0.8435 0.6582000 1.039000 
1 1 1   39   11    5 o   19.040   0.4537   18.390   0.5775   19.690   0.6999 -1.305000 0.9074000 
1 1 1   39   11    6 o   17.890   0.4617   17.580   0.5751   18.210   0.7225 -0.6311000 0.9234000 
1 1 1   39   11    7 o   11.900   0.6804   11.510   0.8502   12.290   1.0620 -0.7841000 1.361000 
1 1 1   39   11    8 o   35.080   0.3575   34.760   0.4691   35.400   0.5395 -0.6401000 0.7149000 
1 1 1   39   11    9 o   28.850   0.3472   28.620   0.4757   29.080   0.5060 -0.4596000 0.6945000 
1 1 1   39   11   10 o   18.180   0.4358   17.930   0.6105   18.420   0.6220 -0.4917000 0.8715000 
1 1 1   39   11   11 o   16.000   0.4945   16.690   0.6573   15.310   0.7390 1.373000 0.9890000 
1 1 1   39   11   12 o   19.980   0.6241   19.420   0.9765   20.550   0.7775 -1.138000 1.248000 
1 1 1   39   11   13 o   10.160   0.9463   10.120   1.3770   10.200   1.2990 -0.7787000E-01 1.893000 
1 1 1   39   11   14 o   14.280   0.5373   14.080   0.7298   14.480   0.7887 -0.4020000 1.075000 
1 1 1   39   11   15 o   5.1790   1.1960   4.1690   1.6430   6.1890   1.7390 -2.020000 2.392000 
1 1 1   39   11   16 o   5.5720   1.2340   5.2090   1.7170   5.9340   1.7740 -0.7253000 2.469000 
1 1 1   39   11   17 o   8.9640   1.1270   9.4990   1.3170   8.4290   1.8300 1.070000 2.255000 
1 1 1   39   11   18 o   10.320   1.0670   12.030   1.0490   8.6170   1.8590 3.414000 2.135000 
1 1 1   39   11   19 o   2.7540   0.9464   2.8620   1.3710   2.6450   1.3050 0.2170000 1.893000 
1 1 1   39   11   20 o   5.5290   1.1900   3.7970   1.6450   7.2610   1.7210 -3.464000 2.381000 
1 1 1   39   11   21 o   3.5920   1.1500   3.6770   1.6240   3.5070   1.6270 0.1698000 2.300000 
1 1 1   39   11   22 o   4.6530   1.3330   5.1680   1.9360   4.1390   1.8340 1.029000 2.667000 
1 1 1   39   11   23 o   3.9170   1.2160   3.3600   1.5730   4.4750   1.8560 -1.115000 2.433000 
1 1 1   39   11   24 o   3.3740   1.1130   2.9200   1.4120   3.8280   1.7210 -0.9081000 2.227000 
1 1 1   39   11   25 o   3.8940   1.2610   3.8370   1.7620   3.9520   1.8050 -0.1147000 2.522000 
1 1 1   39   11   26 o   2.6310   0.9390   2.6320   1.3290   2.6310   1.3260 0.1164000E-02 1.878000 
1 1 1   39   11   27 o   2.4510   0.8798   2.2020   1.1280   2.6990   1.3500 -0.4974000 1.760000 
1 1 1   39   13    0 o   5.2600   1.0580   3.5580   1.4860   6.9620   1.5060 -3.405000 2.116000 
1 1 1   39   13    1 o   8.5320   0.9600   9.4860   1.0910   7.5770   1.5800 1.909000 1.920000 
1 1 1   39   13    2 o   11.260   0.7114   10.870   0.9546   11.640   1.0550 -0.7769000 1.423000 
1 1 1   39   13    3 o   7.4600   0.9826   9.2830   1.0450   5.6370   1.6650 3.646000 1.965000 
1 1 1   39   13    4 o   24.730   0.3447   24.690   0.4696   24.770   0.5047 -0.7407000E-01 0.6894000 
1 1 1   39   13    5 o   38.370   0.3310   38.590   0.4576   38.160   0.4782 0.4362000 0.6619000 
1 1 1   39   13    6 o   11.010   0.6690   11.620   0.8021   10.390   1.0710 1.223000 1.338000 
1 1 1   39   13    7 o   11.180   0.6601   11.440   0.8464   10.930   1.0130 0.5057000 1.320000 
1 1 1   39   13    8 o   8.0470   0.9102   7.4090   1.3180   8.6850   1.2560 -1.277000 1.820000 
1 1 1   39   13    9 o   5.5050   1.2220   6.0810   1.6810   4.9280   1.7740 1.153000 2.444000 
1 1 1   39   13   10 o   9.0920   0.9052   9.1800   1.2340   9.0040   1.3240 0.1752000 1.810000 
1 1 1   39   13   11 o   3.3960   1.0430   4.1900   1.6400   2.6030   1.2890 1.587000 2.086000 
1 1 1   39   13   12 o   4.2680   1.2600   3.8130   1.7050   4.7240   1.8560 -0.9114000 2.520000 
1 1 1   39   13   13 o   2.9750   0.9780   3.3600   1.4900   2.5890   1.2680 0.7714000 1.956000 
1 1 1   39   13   14 o   12.650   0.6291   11.710   0.9099   13.600   0.8689 -1.882000 1.258000 
1 1 1   39   13   15 o   10.330   0.7813   10.540   1.0330   10.120   1.1730 0.4237000 1.563000 
1 1 1   39   13   16 o   4.1370   1.1920   4.3590   1.6910   3.9140   1.6800 0.4443000 2.384000 
1 1 1   39   13   17 o   9.5360   1.0830   8.8210   1.5090   10.250   1.5550 -1.430000 2.167000 
1 1 1   39   13   18 o   4.1490   1.2140   4.5780   1.7770   3.7190   1.6560 0.8594000 2.428000 
1 1 1   39   13   19 o   4.1000   1.1390   5.3100   1.7960   2.8900   1.4030 2.421000 2.279000 
1 1 1   39   13   20 o   4.4900   1.3080   3.8220   1.6900   5.1580   1.9960 -1.337000 2.615000 
1 1 1   39   13   21 o   4.0440   1.2660   4.2480   1.8290   3.8400   1.7510 0.4082000 2.532000 
1 1 1   39   13   22 o   4.4460   1.2980   4.8100   1.8920   4.0810   1.7780 0.7288000 2.597000 
1 1 1   39   13   23 o   3.7920   1.1940   4.3170   1.8200   3.2670   1.5470 1.050000 2.389000 
1 1 1   39   13   24 o   3.9840   1.1850   2.6660   1.3230   5.3020   1.9660 -2.637000 2.370000 
1 1 1   39   13   25 o   3.2930   1.1540   3.9670   1.8830   2.6200   1.3350 1.347000 2.308000 
1 1 1   39   13   26 o   2.8130   0.9906   2.7740   1.3870   2.8520   1.4150 -0.7783000E-01 1.981000 
1 1 1   39   15    0 o   20.180   0.3752   20.130   0.5134   20.240   0.5474 -0.1178000 0.7505000 
1 1 1   39   15    1 o   21.190   0.3672   21.380   0.4993   21.010   0.5386 0.3642000 0.7345000 
1 1 1   39   15    2 o   5.5140   0.9934   3.2730   1.4460   7.7540   1.3620 -4.481000 1.987000 
1 1 1   39   15    3 o   4.1120   1.1010   3.1590   1.4150   5.0660   1.6880 -1.907000 2.202000 
1 1 1   39   15    4 o   7.8350   0.9435   9.3630   1.0180   6.3070   1.5890 3.056000 1.887000 
1 1 1   39   15    5 o   23.250   0.3979   22.880   0.5451   23.610   0.5798 -0.7386000 0.7958000 
1 1 1   39   15    6 o   12.930   0.6094   13.240   0.8076   12.620   0.9127 0.6240000 1.219000 
1 1 1   39   15    7 o   15.780   0.5121   15.800   0.7012   15.760   0.7465 0.4104000E-01 1.024000 
1 1 1   39   15    8 o   13.190   0.5681   12.510   0.8059   13.870   0.8009 -1.358000 1.136000 
1 1 1   39   15    9 o   3.9730   1.1520   3.9460   1.6040   4.0000   1.6530 -0.5372000E-01 2.303000 
1 1 1   39   15   10 o   4.9330   1.2330   6.5140   1.9000   3.3530   1.5730 3.162000 2.466000 
1 1 1   39   15   11 o   4.7560   1.3220   5.1630   1.9280   4.3490   1.8090 0.8144000 2.644000 
1 1 1   39   15   12 f   4.3400   1.1850   4.8110   1.7060   3.8690   1.6460 0.9422000 2.370000 
1 1 1   39   15   13 o   6.9810   1.1450   6.5640   1.6230   7.3980   1.6150 -0.8339000 2.290000 
1 1 1   39   15   14 o   4.0100   1.1800   4.1300   1.6720   3.8900   1.6660 0.2402000 2.360000 
1 1 1   39   15   15 o   3.5810   1.1260   3.6610   1.5960   3.5010   1.5900 0.1603000 2.253000 
1 1 1   39   15   16 o   4.1360   1.2440   2.9650   1.4320   5.3060   2.0350 -2.341000 2.488000 
1 1 1   39   15   17 o   3.3760   1.0930   3.5180   1.5760   3.2350   1.5160 0.2837000 2.187000 
1 1 1   39   15   18 o   6.1560   1.2720   7.2210   1.6660   5.0920   1.9220 2.129000 2.544000 
1 1 1   39   15   19 o   3.5620   1.1660   3.7060   1.6720   3.4180   1.6250 0.2875000 2.331000 
1 1 1   39   15   20 o   2.8910   0.9986   2.6930   1.3230   3.0880   1.4960 -0.3946000 1.997000 
1 1 1   39   15   21 o   4.5690   1.2880   3.8700   1.7060   5.2690   1.9300 -1.399000 2.576000 
1 1 1   39   15   22 o   4.2160   1.2710   4.3090   1.8090   4.1230   1.7870 0.1857000 2.542000 
1 1 1   39   15   23 o   3.7330   1.1630   2.7890   1.3710   4.6770   1.8800 -1.888000 2.326000 
1 1 1   39   15   24 f   3.0140   1.0680   2.7880   1.4110   3.2400   1.6030 -0.4519000 2.136000 
1 1 1   39   15   25 o   2.5230   0.8925   2.1590   1.0980   2.8870   1.4070 -0.7283000 1.785000 
1 1 1   39   17    0 o   24.250   0.3738   23.580   0.5230   24.930   0.5341 -1.352000 0.7476000 
1 1 1   39   17    1 o   19.550   0.4197   19.610   0.5831   19.490   0.6039 0.1267000 0.8395000 
1 1 1   39   17    2 o   16.220   0.4824   15.780   0.6887   16.660   0.6758 -0.8775000 0.9649000 
1 1 1   39   17    3 o   11.000   0.7219   11.700   0.8981   10.300   1.1300 1.400000 1.444000 
1 1 1   39   17    4 o   25.850   0.3487   26.220   0.4708   25.490   0.5146 0.7283000 0.6974000 
1 1 1   39   17    5 o   3.9070   1.1360   3.9690   1.5830   3.8450   1.6290 0.1242000 2.272000 
1 1 1   39   17    6 o   12.250   0.6119   12.140   0.8293   12.360   0.8999 -0.2177000 1.224000 
1 1 1   39   17    7 o   9.8260   0.7832   9.0840   1.1530   10.570   1.0600 -1.483000 1.566000 
1 1 1   39   17    8 o   13.050   0.5956   12.580   0.8206   13.520   0.8635 -0.9435000 1.191000 
1 1 1   39   17    9 o   4.1370   1.2530   3.7100   1.6540   4.5650   1.8840 -0.8547000 2.507000 
1 1 1   39   17   10 o   11.270   0.7170   11.010   0.9815   11.530   1.0460 -0.5135000 1.434000 
1 1 1   39   17   11 o   2.9630   0.9865   3.2260   1.4680   2.7010   1.3180 0.5247000 1.973000 
1 1 1   39   17   12 o   5.3750   1.2130   4.0520   1.6610   6.6980   1.7690 -2.646000 2.427000 
1 1 1   39   17   13 o   7.6550   1.0980   6.6470   1.6390   8.6630   1.4600 -2.017000 2.195000 
1 1 1   39   17   14 o   4.2250   1.1860   5.0770   1.7820   3.3740   1.5670 1.703000 2.373000 
1 1 1   39   17   15 f   5.1540   1.3670   3.8530   1.7260   6.4540   2.1200 -2.601000 2.734000 
1 1 1   39   17   16 o   3.1390   1.0470   2.8430   1.3760   3.4350   1.5790 -0.5919000 2.094000 
1 1 1   39   17   17 o   5.4240   1.4400   5.7630   2.1020   5.0840   1.9690 0.6784000 2.880000 
1 1 1   39   17   18 f   4.9120   1.3360   4.8840   1.8600   4.9400   1.9190 -0.5554000E-01 2.672000 
1 1 1   39   17   19 o   4.7820   1.3090   4.0670   1.7510   5.4970   1.9460 -1.429000 2.618000 
1 1 1   39   17   20 o   3.1970   1.0800   2.9640   1.4390   3.4300   1.6110 -0.4663000 2.160000 
1 1 1   39   17   21 o   3.7650   1.1840   4.3540   1.8200   3.1750   1.5140 1.179000 2.368000 
1 1 1   39   17   22 o   3.2230   1.1040   2.7590   1.3760   3.6870   1.7260 -0.9278000 2.208000 
1 1 1   39   17   23 o   2.6620   0.9566   2.7520   1.3930   2.5720   1.3120 0.1801000 1.913000 
1 1 1   39   17   24 o   2.5750   0.9027   2.4810   1.2380   2.6680   1.3140 -0.1879000 1.805000 
1 1 1   39   19    0 o   8.0580   0.9515   6.5540   1.5110   9.5620   1.1570 -3.008000 1.903000 
1 1 1   39   19    1 o   3.8140   1.1210   3.3580   1.4760   4.2690   1.6880 -0.9112000 2.243000 
1 1 1   39   19    2 o   6.7450   1.0770   6.7690   1.4340   6.7210   1.6070 0.4749000E-01 2.154000 
1 1 1   39   19    3 o   9.5810   0.7617   9.7970   0.9832   9.3650   1.1640 0.4323000 1.523000 
1 1 1   39   19    4 o   3.6280   1.0830   2.7390   1.2950   4.5170   1.7350 -1.778000 2.165000 
1 1 1   39   19    5 o   3.3340   1.0520   2.7070   1.2900   3.9610   1.6610 -1.254000 2.103000 
1 1 1   39   19    6 o   3.3840   1.0970   3.4030   1.5070   3.3650   1.5930 0.3860000E-01 2.193000 
1 1 1   39   19    7 o   10.870   0.9905   11.880   1.1640   9.8590   1.6030 2.018000 1.981000 
1 1 1   39   19    8 o   3.4790   1.1300   3.8640   1.7220   3.0950   1.4650 0.7697000 2.260000 
1 1 1   39   19    9 o   13.970   0.6070   14.000   0.8110   13.940   0.9033 0.5937000E-01 1.214000 
1 1 1   39   19   10 o   12.950   0.6550   12.660   0.8796   13.230   0.9708 -0.5670000 1.310000 
1 1 1   39   19   11 o   5.5260   1.2770   6.6290   1.8210   4.4240   1.7910 2.205000 2.554000 
1 1 1   39   19   12 o   2.8520   0.9738   3.0920   1.4570   2.6120   1.2930 0.4803000 1.948000 
1 1 1   39   19   13 o   4.1740   1.2960   3.9790   1.7500   4.3680   1.9110 -0.3887000 2.591000 
1 1 1   39   19   14 f   8.0840   1.3840   5.8810   2.1300   10.290   1.7660 -4.407000 2.767000 
1 1 1   39   19   15 o   3.2050   1.0830   3.4260   1.6030   2.9840   1.4560 0.4424000 2.166000 
1 1 1   39   19   16 o   8.7480   1.1040   7.8000   1.6400   9.6960   1.4780 -1.896000 2.208000 
1 1 1   39   19   17 o   3.5880   1.1520   3.9170   1.7030   3.2580   1.5510 0.6587000 2.304000 
1 1 1   39   19   18 o   3.8420   1.2030   4.3300   1.8120   3.3540   1.5840 0.9755000 2.407000 
1 1 1   39   19   19 o   4.5830   1.3110   3.9160   1.7300   5.2500   1.9700 -1.334000 2.621000 
1 1 1   39   19   20 o   2.8090   0.9782   3.0660   1.4820   2.5520   1.2770 0.5137000 1.956000 
1 1 1   39   19   21 o   2.7280   0.9633   2.5530   1.2860   2.9040   1.4340 -0.3514000 1.927000 
1 1 1   39   19   22 o   2.4540   0.8771   2.4290   1.2290   2.4790   1.2520 -0.4914000E-01 1.754000 
1 1 1   39   19   23 o   1.2910   0.4769   1.3060   0.6821   1.2770   0.6668 0.2945000E-01 0.9539000 
1 1 1   39   21    0 o   15.110   0.5280   15.020   0.7160   15.210   0.7763 -0.1848000 1.056000 
1 1 1   39   21    1 o   13.520   0.5938   12.120   0.8879   14.930   0.7886 -2.812000 1.188000 
1 1 1   39   21    2 o   6.0850   1.2070   6.2300   1.6370   5.9400   1.7730 0.2903000 2.413000 
1 1 1   39   21    3 o   6.0700   1.3490   4.8630   1.8830   7.2780   1.9310 -2.415000 2.697000 
1 1 1   39   21    4 f   8.8630   1.1660   8.3350   1.6730   9.3910   1.6240 -1.056000 2.332000 
1 1 1   39   21    5 o   9.4550   1.1260   10.340   1.3540   8.5690   1.7990 1.771000 2.252000 
1 1 1   39   21    6 o   8.8950   0.9337   8.1910   1.3590   9.5990   1.2810 -1.408000 1.867000 
1 1 1   39   21    7 o   7.5990   1.1050   6.9170   1.6140   8.2800   1.5090 -1.364000 2.210000 
1 1 1   39   21    8 o   3.4300   1.1050   3.5070   1.5650   3.3540   1.5590 0.1525000 2.209000 
1 1 1   39   21    9 o   12.790   0.6802   11.940   0.9763   13.640   0.9473 -1.700000 1.360000 
1 1 1   39   21   10 o   5.8790   1.2880   5.2970   1.8020   6.4600   1.8420 -1.163000 2.577000 
1 1 1   39   21   11 f   6.0980   1.3310   3.7670   1.7310   8.4290   2.0240 -4.662000 2.663000 
1 1 1   39   21   12 o   6.0810   1.4740   6.7930   2.0220   5.3690   2.1460 1.424000 2.949000 
1 1 1   39   21   13 o   4.6850   1.2640   5.5290   1.8660   3.8420   1.7070 1.687000 2.529000 
1 1 1   39   21   14 o   6.8580   1.2110   8.9150   1.4840   4.8010   1.9130 4.114000 2.421000 
1 1 1   39   21   15 o   4.6400   1.3130   4.7330   1.8420   4.5470   1.8710 0.1857000 2.626000 
1 1 1   39   21   16 o   4.5300   1.3100   4.3490   1.8040   4.7110   1.9000 -0.3621000 2.620000 
1 1 1   39   21   17 o   4.1610   1.2610   3.8290   1.7040   4.4940   1.8590 -0.6648000 2.522000 
1 1 1   39   21   18 o   3.3250   1.1260   2.7810   1.3850   3.8700   1.7750 -1.088000 2.252000 
1 1 1   39   21   19 o   2.9750   1.0370   2.5860   1.3000   3.3630   1.6150 -0.7771000 2.073000 
1 1 1   39   21   20 o   2.5310   0.8922   2.5320   1.2620   2.5300   1.2610 0.1481000E-02 1.784000 
1 1 1   39   21   21 o   2.2500   0.8263   2.1930   1.1400   2.3070   1.1970 -0.1138000 1.653000 
1 1 1   39   23    0 o   5.5610   1.2480   3.4520   1.5980   7.6700   1.9180 -4.218000 2.497000 
1 1 1   39   23    1 o   15.420   0.6201   15.060   0.9349   15.780   0.8151 -0.7160000 1.240000 
1 1 1   39   23    2 o   9.5800   0.8849   8.8170   1.3130   10.340   1.1860 -1.526000 1.770000 
1 1 1   39   23    3 o   11.690   0.7305   12.580   0.9050   10.800   1.1470 1.786000 1.461000 
1 1 1   39   23    4 o   4.5500   1.2450   4.4120   1.7140   4.6880   1.8070 -0.2766000 2.491000 
1 1 1   39   23    5 o   6.8150   1.1930   7.3730   1.5580   6.2580   1.8070 1.115000 2.386000 
1 1 1   39   23    6 o   4.0950   1.2410   3.8200   1.6990   4.3690   1.8100 -0.5493000 2.482000 
1 1 1   39   23    7 o   5.4760   1.3600   5.8030   1.9350   5.1490   1.9110 0.6539000 2.720000 
1 1 1   39   23    8 o   4.9520   1.3370   5.4980   1.9460   4.4070   1.8350 1.090000 2.675000 
1 1 1   39   23    9 o   4.2390   1.3100   4.2700   1.8060   4.2080   1.8990 0.6257000E-01 2.621000 
1 1 1   39   23   10 o   3.8220   1.2070   4.3130   1.8100   3.3320   1.5980 0.9818000 2.415000 
1 1 1   39   23   11 o   4.4140   1.2800   4.3310   1.7700   4.4970   1.8500 -0.1662000 2.560000 
1 1 1   39   23   12 o   4.4160   1.2920   4.2440   1.7690   4.5870   1.8820 -0.3436000 2.583000 
1 1 1   39   23   13 o   4.5560   1.2150   5.9510   1.8980   3.1610   1.5180 2.789000 2.431000 
1 1 1   39   23   14 o   4.4410   1.3080   4.4650   1.8390   4.4170   1.8600 0.4796000E-01 2.616000 
1 1 1   39   23   15 f   2.9540   1.0130   2.5180   1.2570   3.3910   1.5900 -0.8735000 2.027000 
1 1 1   39   23   16 o   3.7560   1.2280   3.7980   1.7460   3.7140   1.7260 0.8375000E-01 2.456000 
1 1 1   39   23   17 o   2.9070   1.0030   2.5030   1.2500   3.3110   1.5680 -0.8083000 2.005000 
1 1 1   39   23   18 o   3.0570   1.0330   3.4570   1.5920   2.6560   1.3160 0.8008000 2.065000 
1 1 1   39   23   19 o   2.1660   0.7958   2.1330   1.1080   2.1990   1.1420 -0.6632000E-01 1.592000 
1 1 1   39   25    0 o   13.450   0.7506   13.770   1.0190   13.130   1.1030 0.6403000 1.501000 
1 1 1   39   25    1 o   6.1800   1.3720   5.4290   1.9500   6.9300   1.9320 -1.501000 2.745000 
1 1 1   39   25    2 o   5.4140   1.2830   7.0750   1.9170   3.7520   1.7050 3.322000 2.566000 
1 1 1   39   25    3 o   8.4710   1.0770   7.0380   1.6780   9.9050   1.3520 -2.867000 2.154000 
1 1 1   39   25    4 o   6.9880   1.2550   6.8740   1.7340   7.1010   1.8150 -0.2262000 2.510000 
1 1 1   39   25    5 o   7.7790   1.2650   7.2980   1.7200   8.2610   1.8560 -0.9634000 2.530000 
1 1 1   39   25    6 o   8.2030   1.2640   9.6120   1.4930   6.7940   2.0410 2.819000 2.528000 
1 1 1   39   25    7 o   5.3140   1.3550   6.4030   1.9810   4.2240   1.8480 2.178000 2.709000 
1 1 1   39   25    8 o   3.6860   1.1710   3.6480   1.6320   3.7230   1.6800 -0.7504000E-01 2.342000 
1 1 1   39   25    9 o   3.1780   1.0530   3.6940   1.6410   2.6620   1.3200 1.032000 2.106000 
1 1 1   39   25   10 o   3.8540   1.1940   4.4180   1.8090   3.2900   1.5580 1.128000 2.387000 
1 1 1   39   25   11 o   4.1230   1.2430   4.6950   1.8770   3.5520   1.6310 1.143000 2.487000 
1 1 1   39   25   12 o   3.0980   1.0680   3.1090   1.5150   3.0870   1.5060 0.2233000E-01 2.136000 
1 1 1   39   25   13 o   2.8230   0.9914   2.6440   1.3240   3.0010   1.4760 -0.3574000 1.983000 
1 1 1   39   25   14 o   3.2660   1.0880   2.9670   1.4280   3.5650   1.6410 -0.5978000 2.176000 
1 1 1   39   25   15 o   3.1160   1.0340   3.8560   1.6870   2.3760   1.1970 1.480000 2.068000 
1 1 1   39   25   16 o   2.1860   0.7852   2.4120   1.2070   1.9600   1.0050 0.4514000 1.570000 
1 1 1   39   27    0 o   3.5140   1.1600   3.6820   1.6760   3.3470   1.6030 0.3350000 2.319000 
1 1 1   39   27    1 o   7.5020   1.2880   9.5640   1.5250   5.4400   2.0750 4.124000 2.575000 
1 1 1   39   27    2 o   4.2860   1.3210   4.2550   1.8340   4.3170   1.9010 -0.6247000E-01 2.642000 
1 1 1   39   27    3 o   4.2920   1.3130   4.5980   1.9000   3.9850   1.8140 0.6131000 2.626000 
1 1 1   39   27    4 o   5.2830   1.3400   4.7420   1.8370   5.8250   1.9510 -1.084000 2.680000 
1 1 1   39   27    5 o   3.4380   1.1110   2.7090   1.3320   4.1670   1.7770 -1.458000 2.221000 
1 1 1   39   27    6 o   3.1630   1.0520   3.5890   1.6190   2.7360   1.3440 0.8537000 2.104000 
1 1 1   39   27    7 o   3.6880   1.1940   3.5260   1.6420   3.8510   1.7340 -0.3253000 2.388000 
1 1 1   39   27    8 o   2.6320   0.9310   2.5000   1.2580   2.7650   1.3730 -0.2657000 1.862000 
1 1 1   39   27    9 o   2.6380   0.9312   2.7040   1.3430   2.5730   1.2910 0.1311000 1.862000 
1 1 1   39   27   10 o   3.0220   1.0240   2.9330   1.4140   3.1110   1.4830 -0.1781000 2.049000 
1 1 1   39   27   11 o   3.0290   1.0210   2.5110   1.2510   3.5480   1.6140 -1.038000 2.042000 
1 1 1   39   27   12 o   2.3860   0.8477   2.1140   1.0750   2.6570   1.3110 -0.5427000 1.695000 
1 1 1   39   27   13 o   2.1100   0.7754   2.0890   1.0860   2.1300   1.1070 -0.4045000E-01 1.551000 
1 1 1   39   29    0 o   4.2040   1.2370   5.1510   1.9340   3.2570   1.5430 1.893000 2.474000 
1 1 1   39   29    1 o   3.9140   1.2330   4.0070   1.7630   3.8220   1.7240 0.1843000 2.466000 
1 1 1   39   29    2 o   6.0560   1.4170   6.2670   2.0070   5.8450   2.0020 0.4218000 2.835000 
1 1 1   39   29    3 o   3.3240   1.1120   2.8660   1.4070   3.7820   1.7220 -0.9165000 2.223000 
1 1 1   39   29    4 o   4.7060   1.2840   5.0170   1.8420   4.3950   1.7890 0.6220000 2.568000 
1 1 1   39   29    5 o   3.6100   1.1410   3.7350   1.6420   3.4860   1.5860 0.2496000 2.283000 
1 1 1   39   29    6 o   3.1260   1.0380   3.5120   1.5850   2.7400   1.3420 0.7720000 2.077000 
1 1 1   39   29    7 o   2.5300   0.8868   2.4300   1.2110   2.6310   1.2960 -0.2010000 1.774000 
1 1 1   39   29    8 o   2.3270   0.8492   2.2050   1.1330   2.4480   1.2650 -0.2433000 1.698000 
1 1 1   40    0    0 o   9.5990   1.0380   9.5990   1.0380   9.5990   1.0380 -0.000000 0.000000 
1 1 1   40    0    1 o   12.770   0.7215   12.770   0.7215   12.770   0.7215 0.000000 0.000000 
1 1 1   40    0    2 o   46.610   0.4747   46.610   0.4747   46.610   0.4747 0.000000 0.000000 
1 1 1   40    0    3 o   33.320   0.6448   33.320   0.6448   33.320   0.6448 0.000000 0.000000 
1 1 1   40    0    4 o   76.070   0.9959   76.070   0.9959   76.070   0.9959 -0.000000 0.000000 
1 1 1   40    0    5 f   3.3020   1.8970   3.3020   1.8970   3.3020   1.8970 -0.000000 0.000000 
1 1 1   40    0    6 o   35.620   0.4569   35.620   0.4569   35.620   0.4569 0.000000 0.000000 
1 1 1   40    0    7 o   20.590   0.5658   20.590   0.5658   20.590   0.5658 0.000000 0.000000 
1 1 1   40    0    8 o   26.220   0.5016   26.220   0.5016   26.220   0.5016 -0.000000 0.000000 
1 1 1   40    0    9 o   2.3160   1.5640   2.3160   1.5640   2.3160   1.5640 0.000000 0.000000 
1 1 1   40    0   10 o   2.1180   1.4610   2.1180   1.4610   2.1180   1.4610 -0.000000 0.000000 
1 1 1   40    0   11 o   3.9080   2.0380   3.9080   2.0380   3.9080   2.0380 -0.000000 0.000000 
1 1 1   40    0   12 o   12.160   0.8808   12.160   0.8808   12.160   0.8808 0.000000 0.000000 
1 1 1   40    0   13 o   2.9720   1.9070   2.9720   1.9070   2.9720   1.9070 -0.000000 0.000000 
1 1 1   40    0   14 f   3.2880   1.9030   3.2880   1.9030   3.2880   1.9030 0.000000 0.000000 
1 1 1   40    0   15 o   6.7300   1.7000   6.7300   1.7000   6.7300   1.7000 0.000000 0.000000 
1 1 1   40    0   16 o   2.3190   1.5560   2.3190   1.5560   2.3190   1.5560 0.000000 0.000000 
1 1 1   40    0   17 o   2.9430   1.8120   2.9430   1.8120   2.9430   1.8120 0.000000 0.000000 
1 1 1   40    0   18 o   3.0660   2.0280   3.0660   2.0280   3.0660   2.0280 -0.000000 0.000000 
1 1 1   40    0   19 o   2.8440   1.7950   2.8440   1.7950   2.8440   1.7950 -0.000000 0.000000 
1 1 1   40    0   20 o   6.9040   1.8530   6.9040   1.8530   6.9040   1.8530 0.000000 0.000000 
1 1 1   40    0   21 o   4.4680   2.1950   4.4680   2.1950   4.4680   2.1950 0.000000 0.000000 
1 1 1   40    0   22 o   2.7550   1.7880   2.7550   1.7880   2.7550   1.7880 -0.000000 0.000000 
1 1 1   40    0   23 o   2.8340   1.8460   2.8340   1.8460   2.8340   1.8460 -0.000000 0.000000 
1 1 1   40    0   24 o   11.920   1.2920   11.920   1.2920   11.920   1.2920 0.000000 0.000000 
1 1 1   40    0   25 o   3.7540   2.1800   3.7540   2.1800   3.7540   2.1800 -0.000000 0.000000 
1 1 1   40    0   26 o   2.4130   1.7160   2.4130   1.7160   2.4130   1.7160 0.000000 0.000000 
1 1 1   40    0   27 o   2.4870   1.7020   2.4870   1.7020   2.4870   1.7020 -0.000000 0.000000 
1 1 1   40    0   28 o   2.3340   1.6210   2.3340   1.6210   2.3340   1.6210 0.000000 0.000000 
1 1 1   40    0   29 o   2.0720   1.4760   2.0720   1.4760   2.0720   1.4760 -0.000000 0.000000 
1 1 1   40    2    0 o   35.020   0.2864   34.340   0.4013   35.700   0.4088 -1.366000 0.5728000 
1 1 1   40    2    1 o   32.480   0.3290   33.110   0.4740   31.850   0.4562 1.253000 0.6579000 
1 1 1   40    2    2 o   62.890   0.4821   63.200   0.6870   62.580   0.6766 0.6211000 0.9642000 
1 1 1   40    2    3 o   24.390   0.3756   23.690   0.4733   25.090   0.5834 -1.403000 0.7512000 
1 1 1   40    2    4 o   24.760   0.4055   25.020   0.5507   24.510   0.5954 0.5082000 0.8111000 
1 1 1   40    2    5 o   23.350   0.4302   23.260   0.5792   23.430   0.6362 -0.1763000 0.8604000 
1 1 1   40    2    6 o   19.550   0.4002   19.840   0.5650   19.250   0.5670 0.5969000 0.8004000 
1 1 1   40    2    7 o   13.790   0.5874   14.390   0.7577   13.180   0.8977 1.214000 1.175000 
1 1 1   40    2    8 o   29.460   0.3333   29.760   0.4731   29.160   0.4697 0.5975000 0.6667000 
1 1 1   40    2    9 o   23.630   0.3719   23.620   0.5245   23.630   0.5273 -0.8663000E-02 0.7437000 
1 1 1   40    2   10 o   2.8200   0.9487   2.6340   1.2760   3.0060   1.4040 -0.3727000 1.897000 
1 1 1   40    2   11 o   21.050   0.3937   20.390   0.5670   21.700   0.5462 -1.309000 0.7873000 
1 1 1   40    2   12 o   4.9580   1.1540   6.4340   1.6930   3.4830   1.5680 2.951000 2.307000 
1 1 1   40    2   13 o   7.5940   1.1250   6.5930   1.7790   8.5960   1.3790 -2.004000 2.251000 
1 1 1   40    2   14 o   17.740   0.4813   17.850   0.7169   17.620   0.6423 0.2299000 0.9625000 
1 1 1   40    2   15 o   5.2830   1.1730   4.6960   1.6490   5.8700   1.6690 -1.174000 2.346000 
1 1 1   40    2   16 o   13.360   0.5606   13.880   0.7499   12.850   0.8335 1.027000 1.121000 
1 1 1   40    2   17 o   15.140   0.5981   15.800   0.8430   14.490   0.8487 1.311000 1.196000 
1 1 1   40    2   18 o   6.1340   1.2070   8.0440   1.5700   4.2230   1.8340 3.821000 2.414000 
1 1 1   40    2   19 o   3.6180   1.1100   3.7260   1.5780   3.5100   1.5620 0.2157000 2.220000 
1 1 1   40    2   20 o   6.0410   1.1960   6.5200   1.6230   5.5610   1.7570 0.9591000 2.392000 
1 1 1   40    2   21 o   4.2400   1.1820   3.3510   1.5250   5.1290   1.8050 -1.778000 2.363000 
1 1 1   40    2   22 o   8.5380   1.0360   9.8150   1.2110   7.2610   1.6810 2.554000 2.071000 
1 1 1   40    2   23 o   4.0580   1.2110   3.4890   1.5840   4.6260   1.8320 -1.136000 2.422000 
1 1 1   40    2   24 o   3.0410   1.0250   2.3990   1.2030   3.6840   1.6600 -1.285000 2.050000 
1 1 1   40    2   25 f   3.5660   1.1770   3.2860   1.5650   3.8470   1.7570 -0.5608000 2.353000 
1 1 1   40    2   26 o   3.8740   1.2440   3.0390   1.4930   4.7090   1.9910 -1.669000 2.489000 
1 1 1   40    2   27 f   3.1690   1.0720   3.0660   1.4740   3.2720   1.5570 -0.2065000 2.144000 
1 1 1   40    2   28 o   2.9360   1.0090   2.8000   1.3710   3.0710   1.4800 -0.2703000 2.017000 
1 1 1   40    2   29 o   2.5920   0.9209   2.7270   1.3590   2.4560   1.2430 0.2714000 1.842000 
1 1 1   40    4    0 o   47.990   0.3894   48.100   0.5468   47.870   0.5545 0.2291000 0.7787000 
1 1 1   40    4    1 o   49.880   0.3466   49.500   0.4838   50.260   0.4965 -0.7660000 0.6932000 
1 1 1   40    4    2 o   22.980   0.3174   23.390   0.4488   22.570   0.4491 0.8201000 0.6349000 
1 1 1   40    4    3 o   32.630   0.3058   32.740   0.4301   32.520   0.4347 0.2206000 0.6115000 
1 1 1   40    4    4 o   34.810   0.3118   34.650   0.4406   34.970   0.4415 -0.3173000 0.6237000 
1 1 1   40    4    5 f   9.4670   1.0400   10.500   1.1900   8.4340   1.7050 2.066000 2.079000 
1 1 1   40    4    6 o   19.890   0.3963   19.350   0.5765   20.430   0.5439 -1.088000 0.7925000 
1 1 1   40    4    7 o   22.840   0.3679   23.150   0.5154   22.530   0.5252 0.6214000 0.7359000 
1 1 1   40    4    8 o   6.9560   1.0520   5.2150   1.7180   8.6970   1.2160 -3.482000 2.105000 
1 1 1   40    4    9 o   13.260   0.5769   13.300   0.8159   13.210   0.8158 0.9052000E-01 1.154000 
1 1 1   40    4   10 o   3.5240   1.0910   3.4250   1.5150   3.6240   1.5710 -0.1993000 2.183000 
1 1 1   40    4   11 o   7.1660   1.1110   7.4050   1.4830   6.9280   1.6550 0.4770000 2.222000 
1 1 1   40    4   12 o   18.700   0.4271   19.050   0.5867   18.350   0.6209 0.6992000 0.8542000 
1 1 1   40    4   13 o   4.5760   1.2520   4.3820   1.7590   4.7690   1.7820 -0.3868000 2.504000 
1 1 1   40    4   14 o   3.9620   1.1580   3.2090   1.4960   4.7150   1.7690 -1.506000 2.317000 
1 1 1   40    4   15 o   6.4010   1.1220   6.2770   1.5860   6.5260   1.5890 -0.2490000 2.245000 
1 1 1   40    4   16 o   9.2390   0.9595   9.5810   1.3320   8.8970   1.3810 0.6843000 1.919000 
1 1 1   40    4   17 f   3.9960   1.2050   4.2070   1.7540   3.7850   1.6520 0.4221000 2.409000 
1 1 1   40    4   18 o   3.8860   1.2150   3.5940   1.6050   4.1780   1.8240 -0.5840000 2.430000 
1 1 1   40    4   19 o   13.410   0.6033   13.590   0.8181   13.240   0.8868 0.3560000 1.207000 
1 1 1   40    4   20 o   4.5130   1.2250   4.1110   1.6690   4.9150   1.7930 -0.8037000 2.450000 
1 1 1   40    4   21 o   6.0080   1.2490   6.0430   1.7510   5.9740   1.7830 0.6878000E-01 2.499000 
1 1 1   40    4   22 f   5.0810   1.2960   5.0140   1.7990   5.1480   1.8670 -0.1334000 2.592000 
1 1 1   40    4   23 o   3.3370   1.0930   3.5840   1.6110   3.0910   1.4780 0.4933000 2.186000 
1 1 1   40    4   24 o   5.8300   1.2800   7.1060   1.7750   4.5540   1.8450 2.552000 2.561000 
1 1 1   40    4   25 o   5.9980   1.4270   6.7980   2.0300   5.1980   2.0070 1.600000 2.855000 
1 1 1   40    4   26 o   3.6900   1.2180   3.7200   1.7330   3.6610   1.7120 0.5913000E-01 2.436000 
1 1 1   40    4   27 o   3.4610   1.1400   3.0610   1.4770   3.8600   1.7370 -0.7987000 2.280000 
1 1 1   40    4   28 o   3.4200   1.1170   4.0140   1.7500   2.8260   1.3880 1.188000 2.234000 
1 1 1   40    4   29 o   2.4680   0.8829   2.4910   1.2580   2.4440   1.2390 0.4652000E-01 1.766000 
1 1 1   40    6    0 o   36.370   0.4746   36.830   0.6418   35.900   0.6994 0.9327000 0.9493000 
1 1 1   40    6    1 o   44.590   0.4286   43.420   0.4490   45.750   0.7303 -2.324000 0.8572000 
1 1 1   40    6    2 o   41.870   0.4211   41.990   0.4451   41.750   0.7149 0.2371000 0.8422000 
1 1 1   40    6    3 o   10.740   1.0460   11.490   0.7996   9.9890   1.9340 1.505000 2.092000 
1 1 1   40    6    4 o   7.4530   1.2720   4.5940   1.6410   10.310   1.9430 -5.717000 2.543000 
1 1 1   40    6    5 o   21.790   0.4703   22.310   0.6034   21.270   0.7215 1.044000 0.9405000 
1 1 1   40    6    6 o   22.410   0.3745   23.300   0.5011   21.510   0.5567 1.793000 0.7490000 
1 1 1   40    6    7 f   11.020   0.6921   10.430   1.0020   11.610   0.9546 -1.181000 1.384000 
1 1 1   40    6    8 o   13.810   0.5478   13.800   0.7562   13.820   0.7929 -0.2276000E-01 1.096000 
1 1 1   40    6    9 f   10.900   0.7618   11.400   0.9910   10.400   1.1570 1.001000 1.524000 
1 1 1   40    6   10 o   5.3090   1.2110   6.3620   1.6920   4.2560   1.7340 2.106000 2.423000 
1 1 1   40    6   11 o   13.560   0.5552   14.190   0.7197   12.920   0.8456 1.274000 1.110000 
1 1 1   40    6   12 o   7.3660   1.0100   7.7310   1.3270   7.0010   1.5220 0.7300000 2.020000 
1 1 1   40    6   13 o   10.950   0.7944   11.170   1.1270   10.740   1.1200 0.4284000 1.589000 
1 1 1   40    6   14 o   13.010   0.6649   13.100   0.9580   12.910   0.9224 0.1931000 1.330000 
1 1 1   40    6   15 o   10.120   0.8558   10.520   1.1730   9.7230   1.2470 0.8013000 1.712000 
1 1 1   40    6   16 o   5.6390   1.2850   5.1880   1.8320   6.0900   1.8030 -0.9026000 2.570000 
1 1 1   40    6   17 o   3.7490   1.1130   3.1560   1.4270   4.3420   1.7100 -1.186000 2.227000 
1 1 1   40    6   18 o   3.8740   1.2030   3.2710   1.4980   4.4770   1.8820 -1.206000 2.406000 
1 1 1   40    6   19 o   4.4130   1.1260   5.6690   1.7070   3.1580   1.4700 2.511000 2.252000 
1 1 1   40    6   20 o   3.1010   1.0200   3.4060   1.5290   2.7950   1.3510 0.6115000 2.040000 
1 1 1   40    6   21 o   7.4550   1.1470   7.8100   1.5120   7.0990   1.7250 0.7117000 2.294000 
1 1 1   40    6   22 o   5.3720   1.2820   6.0230   1.7660   4.7210   1.8590 1.301000 2.564000 
1 1 1   40    6   23 o   4.3580   1.2570   3.7700   1.6510   4.9470   1.8960 -1.177000 2.514000 
1 1 1   40    6   24 o   3.5530   1.1680   3.9080   1.7470   3.1980   1.5510 0.7109000 2.336000 
1 1 1   40    6   25 o   2.9590   1.0130   3.3410   1.5630   2.5770   1.2900 0.7641000 2.026000 
1 1 1   40    6   26 o   4.2940   1.3420   4.3540   1.9030   4.2350   1.8910 0.1182000 2.683000 
1 1 1   40    6   27 o   3.5130   1.1330   2.5710   1.2810   4.4550   1.8680 -1.884000 2.265000 
1 1 1   40    6   28 o   3.1950   1.0950   3.4480   1.6400   2.9420   1.4520 0.5054000 2.191000 
1 1 1   40    8    0 o   38.570   0.3725   38.390   0.5193   38.750   0.5343 -0.3595000 0.7451000 
1 1 1   40    8    1 o   79.470   0.5151   78.660   0.7187   80.280   0.7382 -1.618000 1.030000 
1 1 1   40    8    2 o   29.170   0.3203   29.800   0.4118   28.550   0.4908 1.250000 0.6406000 
1 1 1   40    8    3 o   41.010   0.3261   41.060   0.4511   40.950   0.4709 0.1090000 0.6521000 
1 1 1   40    8    4 o   26.130   0.3337   26.230   0.4514   26.030   0.4916 0.1923000 0.6674000 
1 1 1   40    8    5 o   16.600   0.7109   16.330   0.7191   16.870   1.2270 -0.5491000 1.422000 
1 1 1   40    8    6 o   25.150   0.5065   25.310   0.4808   25.000   0.8916 0.3168000 1.013000 
1 1 1   40    8    7 o   10.310   1.4830   10.480   1.0050   10.140   2.7900 0.3388000 2.965000 
1 1 1   40    8    8 o   8.7030   1.5430   7.6900   1.4340   9.7160   2.7330 -2.026000 3.086000 
1 1 1   40    8    9 o   9.9160   1.1440   10.270   0.9796   9.5570   2.0680 0.7179000 2.288000 
1 1 1   40    8   10 o   15.480   0.7244   15.850   0.6642   15.110   1.2880 0.7317000 1.449000 
1 1 1   40    8   11 o   10.610   1.0760   11.550   0.8908   9.6600   1.9600 1.893000 2.153000 
1 1 1   40    8   12 o   4.4130   1.3280   3.5780   1.5380   5.2480   2.1660 -1.670000 2.657000 
1 1 1   40    8   13 o   14.700   0.7888   14.710   0.8850   14.690   1.3060 0.2399000E-01 1.578000 
1 1 1   40    8   14 o   7.3850   1.7540   6.3320   2.1750   8.4380   2.7510 -2.106000 3.507000 
1 1 1   40    8   15 o   11.100   1.3360   10.860   1.1520   11.340   2.4120 -0.4762000 2.673000 
1 1 1   40    8   16 o   4.1210   1.2770   3.9070   1.6290   4.3360   1.9670 -0.4291000 2.553000 
1 1 1   40    8   17 o   10.730   0.9778   9.9910   1.0600   11.480   1.6430 -1.484000 1.956000 
1 1 1   40    8   18 o   6.2420   1.4310   6.2690   1.7720   6.2150   2.2480 0.5413000E-01 2.862000 
1 1 1   40    8   19 o   5.9020   1.3590   6.5930   1.6340   5.2110   2.1730 1.382000 2.719000 
1 1 1   40    8   20 o   5.0320   1.4220   4.5030   1.7400   5.5620   2.2510 -1.059000 2.845000 
1 1 1   40    8   21 o   3.6730   1.2010   3.7300   1.6300   3.6170   1.7630 0.1127000 2.402000 
1 1 1   40    8   22 o   4.3170   1.2460   5.2820   1.8530   3.3520   1.6660 1.930000 2.492000 
1 1 1   40    8   23 o   3.9060   1.3130   3.8110   1.7220   4.0010   1.9810 -0.1905000 2.625000 
1 1 1   40    8   24 o   4.7020   1.4500   3.2280   1.5230   6.1770   2.4690 -2.950000 2.901000 
1 1 1   40    8   25 o   4.7040   1.4450   4.2480   1.8000   5.1600   2.2600 -0.9119000 2.890000 
1 1 1   40    8   26 o   3.6990   1.2250   4.2580   1.8760   3.1400   1.5770 1.118000 2.450000 
1 1 1   40    8   27 o   2.8990   1.0240   2.7120   1.3430   3.0860   1.5470 -0.3746000 2.049000 
1 1 1   40    8   28 o   2.9020   1.0340   2.9740   1.4700   2.8300   1.4550 0.1444000 2.068000 
1 1 1   40   10    0 o   42.650   0.3277   42.370   0.4552   42.940   0.4715 -0.5778000 0.6554000 
1 1 1   40   10    1 o   50.700   0.3632   50.670   0.5059   50.730   0.5213 -0.6438000E-01 0.7264000 
1 1 1   40   10    2 o   22.590   0.3442   22.870   0.4570   22.320   0.5148 0.5496000 0.6884000 
1 1 1   40   10    3 o   15.750   0.4328   15.510   0.5775   15.990   0.6449 -0.4760000 0.8657000 
1 1 1   40   10    4 o   20.900   0.5173   21.430   0.6212   20.370   0.8274 1.057000 1.035000 
1 1 1   40   10    5 o   22.510   0.3858   22.310   0.5149   22.710   0.5748 -0.3968000 0.7717000 
1 1 1   40   10    6 o   7.9950   0.9720   7.4200   1.3860   8.5700   1.3630 -1.150000 1.944000 
1 1 1   40   10    7 o   4.9860   1.0790   3.2850   1.4560   6.6870   1.5930 -3.402000 2.158000 
1 1 1   40   10    8 o   15.340   0.4868   15.800   0.6378   14.890   0.7357 0.9140000 0.9737000 
1 1 1   40   10    9 o   20.270   0.4181   20.550   0.5369   19.990   0.6410 0.5624000 0.8361000 
1 1 1   40   10   10 o   2.6720   0.9173   2.4800   1.2050   2.8650   1.3830 -0.3859000 1.835000 
1 1 1   40   10   11 o   9.5690   0.8755   7.6330   1.3590   11.500   1.1040 -3.872000 1.751000 
1 1 1   40   10   12 o   18.120   0.5246   18.500   0.6786   17.740   0.8003 0.7545000 1.049000 
1 1 1   40   10   13 o   11.030   1.1320   11.510   1.5050   10.560   1.6900 0.9468000 2.263000 
1 1 1   40   10   14 f   12.800   0.6837   12.500   0.8323   13.100   1.0850 -0.5995000 1.367000 
1 1 1   40   10   15 o   3.3940   1.0990   3.1050   1.4260   3.6830   1.6730 -0.5773000 2.198000 
1 1 1   40   10   16 o   4.5440   1.2510   4.7260   1.6900   4.3620   1.8460 0.3639000 2.503000 
1 1 1   40   10   17 o   14.120   0.7147   15.300   0.7301   12.950   1.2290 2.349000 1.429000 
1 1 1   40   10   18 o   11.910   1.2520   13.370   0.9670   10.450   2.3090 2.914000 2.503000 
1 1 1   40   10   19 o   5.1020   1.3480   5.0300   1.7690   5.1730   2.0360 -0.1427000 2.697000 
1 1 1   40   10   20 o   4.1220   1.2520   4.2810   1.7340   3.9630   1.8080 0.3176000 2.505000 
1 1 1   40   10   21 o   3.8700   1.2320   3.0300   1.4350   4.7100   2.0040 -1.680000 2.465000 
1 1 1   40   10   22 o   5.4280   1.4510   4.9020   1.9060   5.9540   2.1880 -1.052000 2.901000 
1 1 1   40   10   23 o   6.0720   1.4760   5.4130   1.9160   6.7310   2.2450 -1.318000 2.951000 
1 1 1   40   10   24 o   3.4730   1.1470   3.8130   1.6920   3.1340   1.5490 0.6797000 2.294000 
1 1 1   40   10   25 o   3.5620   1.2280   3.2710   1.5780   3.8530   1.8820 -0.5822000 2.456000 
1 1 1   40   10   26 o   3.7860   1.2320   4.6110   1.9660   2.9600   1.4860 1.651000 2.464000 
1 1 1   40   10   27 o   2.2740   0.8242   2.1410   1.0980   2.4080   1.2300 -0.2665000 1.648000 
1 1 1   40   12    0 o   23.140   0.3765   22.990   0.4985   23.290   0.5644 -0.2943000 0.7530000 
1 1 1   40   12    1 o   40.850   0.3975   40.510   0.5144   41.190   0.6062 -0.6781000 0.7950000 
1 1 1   40   12    2 o   16.830   0.5855   16.920   0.6935   16.740   0.9435 0.1738000 1.171000 
1 1 1   40   12    3 o   14.560   0.6615   13.700   0.7706   15.420   1.0760 -1.719000 1.323000 
1 1 1   40   12    4 o   19.570   0.4409   18.810   0.6070   20.330   0.6397 -1.524000 0.8818000 
1 1 1   40   12    5 o   23.230   0.3908   23.210   0.4816   23.250   0.6157 -0.3563000E-01 0.7816000 
1 1 1   40   12    6 o   29.440   0.3736   29.400   0.4609   29.470   0.5882 -0.7440000E-01 0.7473000 
1 1 1   40   12    7 o   17.020   0.4790   16.440   0.6124   17.600   0.7368 -1.164000 0.9581000 
1 1 1   40   12    8 o   17.230   0.4876   16.930   0.6087   17.530   0.7619 -0.6031000 0.9752000 
1 1 1   40   12    9 o   17.560   0.4823   17.520   0.6031   17.600   0.7529 -0.7751000E-01 0.9647000 
1 1 1   40   12   10 o   6.7440   1.1980   7.7970   1.4890   5.6900   1.8770 2.107000 2.395000 
1 1 1   40   12   11 o   10.380   0.8621   11.090   1.0370   9.6730   1.3770 1.421000 1.724000 
1 1 1   40   12   12 o   6.5160   1.2990   7.7530   1.7570   5.2790   1.9130 2.474000 2.598000 
1 1 1   40   12   13 o   6.8620   1.1180   7.5510   1.4030   6.1730   1.7410 1.378000 2.236000 
1 1 1   40   12   14 f   11.160   0.7138   11.450   0.9348   10.860   1.0790 0.5848000 1.428000 
1 1 1   40   12   15 o   8.5380   0.9449   8.0600   1.3720   9.0150   1.3000 -0.9546000 1.890000 
1 1 1   40   12   16 o   4.7600   1.2310   4.2660   1.6750   5.2540   1.8050 -0.9876000 2.463000 
1 1 1   40   12   17 o   8.1280   1.2490   9.1560   1.4390   7.1010   2.0420 2.055000 2.498000 
1 1 1   40   12   18 o   10.730   0.8243   11.170   1.0650   10.300   1.2590 0.8687000 1.649000 
1 1 1   40   12   19 o   3.8960   1.1950   3.7860   1.6520   4.0060   1.7270 -0.2204000 2.390000 
1 1 1   40   12   20 o   3.9130   1.1850   4.3270   1.7330   3.5000   1.6160 0.8264000 2.369000 
1 1 1   40   12   21 o   6.3710   1.4340   6.3600   1.9670   6.3810   2.0880 -0.2153000E-01 2.869000 
1 1 1   40   12   22 o   4.3810   1.2920   4.3100   1.8080   4.4520   1.8470 -0.1415000 2.585000 
1 1 1   40   12   23 o   3.7310   1.1830   4.0660   1.7580   3.3960   1.5820 0.6704000 2.365000 
1 1 1   40   12   24 o   4.4860   1.2570   5.5780   1.9440   3.3940   1.5940 2.184000 2.515000 
1 1 1   40   12   25 o   3.0640   1.0620   2.9670   1.4630   3.1610   1.5410 -0.1946000 2.124000 
1 1 1   40   12   26 o   2.6310   0.9367   2.7780   1.3890   2.4840   1.2570 0.2939000 1.873000 
1 1 1   40   12   27 o   2.2960   1.1900   2.2960   1.1900  ?   ?       ?      ? 
1 1 1   40   14    0 o   24.490   0.4635   23.890   0.5198   25.080   0.7675 -1.192000 0.9270000 
1 1 1   40   14    1 o   31.340   0.4634   30.790   0.5026   31.890   0.7788 -1.105000 0.9269000 
1 1 1   40   14    2 o   13.500   0.5409   14.080   0.6819   12.920   0.8397 1.162000 1.082000 
1 1 1   40   14    3 o   6.3400   1.0630   5.5090   1.5740   7.1710   1.4300 -1.662000 2.127000 
1 1 1   40   14    4 o   30.200   0.3257   29.860   0.4465   30.540   0.4744 -0.6839000 0.6514000 
1 1 1   40   14    5 o   7.7610   0.9083   7.7430   1.2340   7.7800   1.3330 -0.3691000E-01 1.817000 
1 1 1   40   14    6 o   14.670   0.4850   14.300   0.6683   15.040   0.7032 -0.7371000 0.9701000 
1 1 1   40   14    7 o   15.930   0.5220   15.920   0.7355   15.940   0.7410 -0.1941000E-01 1.044000 
1 1 1   40   14    8 o   28.970   0.3741   29.130   0.5264   28.800   0.5318 0.3241000 0.7483000 
1 1 1   40   14    9 o   23.030   0.3812   23.070   0.5290   22.980   0.5491 0.9277000E-01 0.7625000 
1 1 1   40   14   10 o   8.7910   0.8553   9.0340   1.1330   8.5490   1.2810 0.4845000 1.711000 
1 1 1   40   14   11 o   4.4050   1.2750   4.0590   1.7590   4.7510   1.8460 -0.6922000 2.550000 
1 1 1   40   14   12 o   9.6370   0.8214   9.4690   1.1490   9.8050   1.1740 -0.3361000 1.643000 
1 1 1   40   14   13 o   13.870   0.5853   13.640   0.8144   14.090   0.8409 -0.4548000 1.171000 
1 1 1   40   14   14 o   4.9230   1.2520   5.0300   1.7380   4.8160   1.8010 0.2133000 2.503000 
1 1 1   40   14   15 o   3.7320   1.1310   4.1490   1.6730   3.3160   1.5230 0.8333000 2.263000 
1 1 1   40   14   16 o   7.5400   1.3320   7.3960   1.7740   7.6840   1.9880 -0.2873000 2.664000 
1 1 1   40   14   17 o   7.4890   1.2030   6.7710   1.7550   8.2070   1.6440 -1.435000 2.405000 
1 1 1   40   14   18 o   5.4400   1.2490   4.0370   1.6940   6.8430   1.8370 -2.805000 2.498000 
1 1 1   40   14   19 o   6.3770   1.2760   4.2410   1.7920   8.5140   1.8170 -4.273000 2.552000 
1 1 1   40   14   20 o   4.5060   1.2630   3.0300   1.4710   5.9810   2.0530 -2.951000 2.526000 
1 1 1   40   14   21 o   4.5260   1.3010   3.9150   1.7220   5.1380   1.9520 -1.223000 2.603000 
1 1 1   40   14   22 o   3.3970   1.1150   2.7620   1.3590   4.0330   1.7690 -1.271000 2.230000 
1 1 1   40   14   23 o   3.5400   1.1260   2.5540   1.2740   4.5250   1.8580 -1.971000 2.253000 
1 1 1   40   14   24 o   3.1780   1.1150   2.9560   1.4870   3.4000   1.6620 -0.4446000 2.230000 
1 1 1   40   14   25 o   2.4730   0.8974   2.8370   1.4320   2.1080   1.0820 0.7285000 1.795000 
1 1 1   40   14   26 o   2.0800   0.7650   2.0430   1.0620   2.1180   1.1010 -0.7516000E-01 1.530000 
1 1 1   40   16    0 o   4.8830   1.0370   6.3230   1.4310   3.4430   1.5000 2.880000 2.073000 
1 1 1   40   16    1 o   22.890   0.3473   22.860   0.4763   22.930   0.5055 -0.6622000E-01 0.6946000 
1 1 1   40   16    2 o   22.620   0.3822   22.370   0.5333   22.870   0.5478 -0.4963000 0.7645000 
1 1 1   40   16    3 o   14.300   0.5411   14.430   0.7477   14.180   0.7822 0.2474000 1.082000 
1 1 1   40   16    4 o   8.9130   0.8513   8.5650   1.2380   9.2610   1.1690 -0.6959000 1.703000 
1 1 1   40   16    5 o   19.870   0.4323   20.020   0.5815   19.720   0.6400 0.2941000 0.8647000 
1 1 1   40   16    6 o   15.480   0.4845   15.400   0.6492   15.560   0.7193 -0.1591000 0.9689000 
1 1 1   40   16    7 o   15.880   0.4830   16.060   0.6349   15.690   0.7279 0.3718000 0.9659000 
1 1 1   40   16    8 o   21.410   0.3923   21.360   0.5304   21.460   0.5782 -0.1009000 0.7846000 
1 1 1   40   16    9 o   12.070   0.7275   12.280   0.8713   11.870   1.1650 0.4051000 1.455000 
1 1 1   40   16   10 o   3.9180   1.2340   4.1930   1.8140   3.6420   1.6740 0.5509000 2.468000 
1 1 1   40   16   11 o   10.050   0.8056   10.570   1.0270   9.5320   1.2420 1.033000 1.611000 
1 1 1   40   16   12 o   5.7600   1.2450   5.5580   1.7140   5.9610   1.8060 -0.4026000 2.490000 
1 1 1   40   16   13 o   3.4070   1.0850   2.7720   1.3320   4.0420   1.7140 -1.270000 2.170000 
1 1 1   40   16   14 o   3.9250   1.1780   4.0760   1.6840   3.7730   1.6490 0.3035000 2.356000 
1 1 1   40   16   15 o   10.420   0.9872   10.170   1.3240   10.660   1.4640 -0.4894000 1.974000 
1 1 1   40   16   16 o   6.5930   1.3230   5.7880   1.9510   7.3980   1.7870 -1.610000 2.646000 
1 1 1   40   16   17 f   4.2650   1.2680   4.0930   1.7550   4.4370   1.8290 -0.3438000 2.535000 
1 1 1   40   16   18 o   5.9260   1.3210   7.4520   1.8460   4.4000   1.8900 3.052000 2.642000 
1 1 1   40   16   19 o   4.2460   1.2650   3.6240   1.6390   4.8670   1.9260 -1.243000 2.529000 
1 1 1   40   16   20 o   3.3020   1.1010   3.3620   1.5690   3.2430   1.5440 0.1187000 2.202000 
1 1 1   40   16   21 o   3.4820   1.1340   2.8780   1.4000   4.0870   1.7840 -1.209000 2.268000 
1 1 1   40   16   22 o   4.6970   1.3040   4.0550   1.7500   5.3400   1.9320 -1.285000 2.607000 
1 1 1   40   16   23 o   3.1570   1.1010   2.9620   1.4620   3.3530   1.6470 -0.3914000 2.202000 
1 1 1   40   16   24 o   2.1900   0.7925   2.1430   1.1010   2.2370   1.1400 -0.9408000E-01 1.585000 
1 1 1   40   18    0 o   6.8220   1.0230   6.0720   1.5320   7.5720   1.3570 -1.500000 2.046000 
1 1 1   40   18    1 o   15.260   0.4745   15.250   0.6469   15.270   0.6943 -0.1475000E-01 0.9490000 
1 1 1   40   18    2 o   19.090   0.4005   18.830   0.5446   19.350   0.5875 -0.5237000 0.8011000 
1 1 1   40   18    3 o   8.0970   0.9254   8.8300   1.1030   7.3630   1.4860 1.467000 1.851000 
1 1 1   40   18    4 o   7.9920   0.9883   9.7750   0.9954   6.2090   1.7080 3.567000 1.977000 
1 1 1   40   18    5 o   15.970   0.4844   15.510   0.6675   16.420   0.7021 -0.9031000 0.9688000 
1 1 1   40   18    6 o   11.980   0.6502   12.840   0.8019   11.120   1.0240 1.716000 1.300000 
1 1 1   40   18    7 o   12.130   0.6579   12.370   0.8630   11.900   0.9932 0.4671000 1.316000 
1 1 1   40   18    8 o   4.3000   1.2850   3.6350   1.6570   4.9650   1.9650 -1.330000 2.570000 
1 1 1   40   18    9 o   5.8490   1.2800   4.8090   1.8860   6.8890   1.7310 -2.080000 2.560000 
1 1 1   40   18   10 o   10.530   0.7930   10.860   0.9971   10.190   1.2330 0.6672000 1.586000 
1 1 1   40   18   11 o   6.5230   1.2420   6.6850   1.6900   6.3600   1.8190 0.3244000 2.483000 
1 1 1   40   18   12 o   9.1790   0.9590   9.4830   1.2560   8.8750   1.4490 0.6078000 1.918000 
1 1 1   40   18   13 o   12.810   0.7089   13.110   0.9303   12.500   1.0700 0.6028000 1.418000 
1 1 1   40   18   14 o   12.080   0.9351   13.140   1.1020   11.020   1.5110 2.122000 1.870000 
1 1 1   40   18   15 o   10.150   1.0130   11.350   1.2200   8.9430   1.6170 2.412000 2.026000 
1 1 1   40   18   16 o   4.9870   1.3790   5.0080   1.9410   4.9660   1.9600 0.4129000E-01 2.758000 
1 1 1   40   18   17 o   6.1910   1.3560   6.1850   1.8530   6.1970   1.9790 -0.1213000E-01 2.711000 
1 1 1   40   18   18 o   4.4330   1.2970   4.6120   1.8510   4.2550   1.8180 0.3564000 2.594000 
1 1 1   40   18   19 o   3.9610   1.2020   2.9160   1.4200   5.0060   1.9400 -2.090000 2.404000 
1 1 1   40   18   20 o   2.8110   0.9764   2.8880   1.4110   2.7340   1.3500 0.1542000 1.953000 
1 1 1   40   18   21 o   3.1700   1.0900   3.0700   1.5030   3.2700   1.5790 -0.2005000 2.180000 
1 1 1   40   18   22 o   3.1540   1.1050   2.5880   1.3040   3.7200   1.7850 -1.132000 2.211000 
1 1 1   40   18   23 o   2.6290   0.9297   2.6280   1.3140   2.6310   1.3150 -0.2754000E-02 1.859000 
1 1 1   40   20    0 o   12.440   0.6128   12.770   0.8201   12.110   0.9109 0.6596000 1.226000 
1 1 1   40   20    1 o   20.690   0.3961   20.820   0.5340   20.570   0.5851 0.2478000 0.7922000 
1 1 1   40   20    2 o   10.980   0.6928   10.590   0.9604   11.360   0.9986 -0.7733000 1.386000 
1 1 1   40   20    3 o   14.050   0.5486   13.930   0.7433   14.170   0.8070 -0.2381000 1.097000 
1 1 1   40   20    4 o   21.010   0.4082   20.500   0.5549   21.530   0.5988 -1.034000 0.8164000 
1 1 1   40   20    5 o   4.5540   1.2130   2.5980   1.2920   6.5100   2.0540 -3.912000 2.426000 
1 1 1   40   20    6 o   6.6920   1.3880   6.1330   1.9200   7.2510   2.0050 -1.118000 2.776000 
1 1 1   40   20    7 o   7.2440   1.1420   8.4820   1.3240   6.0070   1.8610 2.475000 2.283000 
1 1 1   40   20    8 o   10.570   0.8138   11.470   0.9721   9.6720   1.3050 1.793000 1.628000 
1 1 1   40   20    9 o   3.6660   1.1320   3.0240   1.4180   4.3070   1.7650 -1.283000 2.264000 
1 1 1   40   20   10 o   4.2230   1.2170   4.3690   1.7180   4.0760   1.7240 0.2922000 2.434000 
1 1 1   40   20   11 f   11.610   0.7531   11.070   1.0680   12.140   1.0620 -1.077000 1.506000 
1 1 1   40   20   12 o   8.5480   1.3670   9.9300   1.6270   7.1660   2.1970 2.763000 2.734000 
1 1 1   40   20   13 o   8.6650   1.3380   11.010   1.4690   6.3180   2.2360 4.694000 2.676000 
1 1 1   40   20   14 o   6.2640   1.3300   6.8890   1.7880   5.6400   1.9690 1.249000 2.660000 
1 1 1   40   20   15 o   5.9790   1.3210   4.7340   1.8390   7.2230   1.8970 -2.489000 2.642000 
1 1 1   40   20   16 o   3.6060   1.1420   4.3280   1.7960   2.8850   1.4110 1.443000 2.283000 
1 1 1   40   20   17 o   3.2550   1.0850   2.7230   1.3400   3.7860   1.7060 -1.063000 2.170000 
1 1 1   40   20   18 o   4.4570   1.1810   6.2330   1.9510   2.6820   1.3300 3.551000 2.362000 
1 1 1   40   20   19 o   3.3850   1.1460   3.2720   1.5780   3.4980   1.6620 -0.2259000 2.292000 
1 1 1   40   20   20 o   2.1630   0.7838   2.1130   1.0850   2.2120   1.1310 -0.9836000E-01 1.568000 
1 1 1   40   20   21 o   2.8440   0.9962   2.4640   1.2430   3.2240   1.5570 -0.7602000 1.992000 
1 1 1   40   22    0 o   3.9130   1.1650   3.9740   1.6360   3.8520   1.6570 0.1220000 2.329000 
1 1 1   40   22    1 o   15.850   0.6622   14.900   0.9361   16.800   0.9368 -1.907000 1.324000 
1 1 1   40   22    2 o   16.080   0.6571   16.460   0.8512   15.700   1.0010 0.7601000 1.314000 
1 1 1   40   22    3 o   8.7780   1.1930   10.940   1.2580   6.6130   2.0270 4.330000 2.385000 
1 1 1   40   22    4 o   8.1650   1.0190   8.6090   1.2780   7.7210   1.5880 0.8883000 2.038000 
1 1 1   40   22    5 o   5.5080   1.1320   7.1810   1.5310   3.8350   1.6670 3.346000 2.263000 
1 1 1   40   22    6 o   8.5990   0.9753   8.1310   1.3820   9.0660   1.3760 -0.9359000 1.951000 
1 1 1   40   22    7 o   6.2160   1.2680   5.7720   1.7800   6.6590   1.8070 -0.8873000 2.536000 
1 1 1   40   22    8 o   3.0890   1.0440   2.8430   1.3860   3.3340   1.5620 -0.4907000 2.089000 
1 1 1   40   22    9 o   7.7830   1.2700   7.3070   1.8420   8.2580   1.7480 -0.9505000 2.540000 
1 1 1   40   22   10 o   7.0630   1.4970   7.6720   2.0200   6.4540   2.2090 1.218000 2.993000 
1 1 1   40   22   11 o   3.2860   1.1090   2.8310   1.3850   3.7420   1.7330 -0.9108000 2.218000 
1 1 1   40   22   12 o   3.8700   1.1870   3.1360   1.4770   4.6050   1.8580 -1.469000 2.374000 
1 1 1   40   22   13 o   3.1370   1.0540   2.6330   1.3010   3.6410   1.6590 -1.008000 2.109000 
1 1 1   40   22   14 o   3.3920   1.1190   3.4960   1.6020   3.2890   1.5630 0.2063000 2.238000 
1 1 1   40   22   15 f   3.2380   1.0840   2.7300   1.3400   3.7470   1.7050 -1.017000 2.168000 
1 1 1   40   22   16 o   3.6100   1.1630   3.8890   1.7180   3.3310   1.5700 0.5586000 2.327000 
1 1 1   40   22   17 o   2.7660   0.9748   2.7380   1.3650   2.7930   1.3920 -0.5425000E-01 1.950000 
1 1 1   40   22   18 o   3.7030   1.1850   3.6400   1.6520   3.7660   1.7000 -0.1265000 2.371000 
1 1 1   40   22   19 o   2.1790   0.7828   2.3620   1.1860   1.9960   1.0220 0.3667000 1.566000 
1 1 1   40   24    0 o   5.8090   1.2950   5.2000   1.8000   6.4180   1.8620 -1.218000 2.589000 
1 1 1   40   24    1 o   5.5780   1.3590   7.0240   2.0520   4.1310   1.7820 2.893000 2.718000 
1 1 1   40   24    2 o   7.8270   1.2390   8.6540   1.5950   6.9990   1.8960 1.654000 2.478000 
1 1 1   40   24    3 o   3.6980   1.1850   3.4830   1.6100   3.9140   1.7380 -0.4313000 2.369000 
1 1 1   40   24    4 o   4.7800   1.3150   4.2070   1.7880   5.3540   1.9280 -1.147000 2.630000 
1 1 1   40   24    5 o   7.9400   1.2250   6.5060   1.9400   9.3740   1.4970 -2.867000 2.450000 
1 1 1   40   24    6 o   3.1230   1.0440   2.7220   1.3300   3.5230   1.6090 -0.8009000 2.088000 
1 1 1   40   24    7 o   3.8050   1.2080   4.2410   1.8070   3.3690   1.6050 0.8715000 2.417000 
1 1 1   40   24    8 o   8.7550   1.2260   10.110   1.4120   7.3980   2.0040 2.715000 2.451000 
1 1 1   40   24    9 o   6.1460   1.3370   7.4740   1.9000   4.8190   1.8820 2.655000 2.674000 
1 1 1   40   24   10 f   14.100   0.7110   14.660   0.9124   13.550   1.0910 1.110000 1.422000 
1 1 1   40   24   11 f   6.8670   1.3580   6.7630   1.8710   6.9710   1.9670 -0.2086000 2.715000 
1 1 1   40   24   12 o   4.5400   1.3060   4.2240   1.7850   4.8570   1.9080 -0.6333000 2.612000 
1 1 1   40   24   13 o   3.7670   1.1920   3.1570   1.5090   4.3770   1.8470 -1.220000 2.385000 
1 1 1   40   24   14 o   2.9840   1.0390   2.6860   1.3430   3.2810   1.5850 -0.5949000 2.077000 
1 1 1   40   24   15 o   3.7050   1.1970   4.3490   1.8680   3.0620   1.4990 1.287000 2.395000 
1 1 1   40   24   16 o   2.5540   0.9023   2.3030   1.1680   2.8060   1.3750 -0.5028000 1.805000 
1 1 1   40   24   17 o   2.5340   0.9091   2.4400   1.2320   2.6290   1.3370 -0.1887000 1.818000 
1 1 1   40   26    0 o   10.820   0.8922   12.430   1.0040   9.2130   1.4750 3.216000 1.784000 
1 1 1   40   26    1 o   14.000   0.6547   13.720   0.9211   14.290   0.9308 -0.5707000 1.309000 
1 1 1   40   26    2 o   10.530   0.8934   11.260   1.1290   9.8000   1.3850 1.457000 1.787000 
1 1 1   40   26    3 o   5.1170   1.3980   4.3410   1.8600   5.8930   2.0870 -1.552000 2.796000 
1 1 1   40   26    4 o   3.3120   1.1170   3.5370   1.6510   3.0860   1.5070 0.4511000 2.235000 
1 1 1   40   26    5 o   7.3030   1.3860   8.0050   1.8330   6.6000   2.0790 1.405000 2.772000 
1 1 1   40   26    6 o   4.4290   1.2640   3.8370   1.6810   5.0210   1.8870 -1.184000 2.527000 
1 1 1   40   26    7 o   5.2800   1.2770   6.4200   1.8470   4.1390   1.7650 2.281000 2.554000 
1 1 1   40   26    8 o   6.1220   1.2950   7.1240   1.7480   5.1200   1.9120 2.004000 2.591000 
1 1 1   40   26    9 o   3.2810   1.1080   3.4660   1.6220   3.0970   1.5100 0.3693000 2.216000 
1 1 1   40   26   10 o   4.6720   1.3560   5.1730   1.9980   4.1700   1.8350 1.003000 2.713000 
1 1 1   40   26   11 o   2.9420   1.0220   2.9780   1.4530   2.9050   1.4370 0.7278000E-01 2.043000 
1 1 1   40   26   12 o   2.9210   0.9945   3.5320   1.6110   2.3090   1.1660 1.223000 1.989000 
1 1 1   40   26   13 o   2.1750   0.7809   2.2650   1.1440   2.0840   1.0640 0.1815000 1.562000 
1 1 1   40   26   14 o   2.5740   0.9255   2.4160   1.2330   2.7320   1.3810 -0.3163000 1.851000 
1 1 1   40   28    0 o   8.1560   1.3120   8.4520   1.7450   7.8600   1.9610 0.5920000 2.625000 
1 1 1   40   28    1 o   6.7900   1.3090   7.2350   1.7670   6.3460   1.9320 0.8896000 2.618000 
1 1 1   40   28    2 o   9.2150   1.1860   10.190   1.4340   8.2380   1.8890 1.955000 2.371000 
1 1 1   40   28    3 o   2.8560   0.9946   3.0070   1.4650   2.7040   1.3460 0.3032000 1.989000 
1 1 1   40   28    4 o   2.6000   0.9215   3.0000   1.4630   2.2000   1.1210 0.7997000 1.843000 
1 1 1   40   28    5 o   3.6460   1.1660   2.9280   1.4330   4.3640   1.8390 -1.435000 2.332000 
1 1 1   40   28    6 f   2.7870   0.9714   3.1410   1.5060   2.4340   1.2280 0.7067000 1.943000 
1 1 1   40   28    7 o   2.2370   0.7979   2.2710   1.1420   2.2040   1.1150 0.6675000E-01 1.596000 
1 1 1   40   28    8 o   2.1350   0.7658   2.1800   1.1030   2.0890   1.0620 0.9189000E-01 1.532000 
1 1 1   40   28    9 o   2.3190   0.8240   2.3980   1.1980   2.2400   1.1320 0.1584000 1.648000 
1 1 1   40   28   10 o   1.9620   0.7217   1.9280   1.0030   1.9960   1.0380 -0.6738000E-01 1.443000 
1 1 1   40   30    0 o   2.5470   0.8883   2.9380   1.4020   2.1570   1.0910 0.7814000 1.777000 
1 1 1   40   30    1 o   2.9400   0.9878   3.3330   1.5220   2.5470   1.2590 0.7854000 1.976000 
1 1 1   40   30    2 o   3.0250   1.0150   2.9910   1.4200   3.0590   1.4510 -0.6819000E-01 2.030000 
1 1 1   40   30    3 o   2.3560   0.8410   2.2650   1.1590   2.4470   1.2190 -0.1820000 1.682000 
1 1 1   41    1    0 o   35.150   0.3136   35.280   0.4674   35.030   0.4183 0.2579000 0.6272000 
1 1 1   41    1    1 o   25.340   0.3095   25.310   0.4370   25.380   0.4383 -0.7180000E-01 0.6190000 
1 1 1   41    1    2 o   27.050   0.3647   27.110   0.5284   26.980   0.5029 0.1268000 0.7295000 
1 1 1   41    1    3 o   39.240   0.3723   38.780   0.5312   39.710   0.5219 -0.9345000 0.7447000 
1 1 1   41    1    4 o   18.260   0.5118   19.150   0.6556   17.370   0.7860 1.773000 1.024000 
1 1 1   41    1    5 o   11.230   0.6517   11.560   0.9145   10.900   0.9287 0.6587000 1.303000 
1 1 1   41    1    6 o   29.250   0.3473   29.990   0.5069   28.500   0.4749 1.494000 0.6946000 
1 1 1   41    1    7 o   24.040   0.3625   24.020   0.5180   24.070   0.5073 -0.4856000E-01 0.7251000 
1 1 1   41    1    8 f   17.860   0.4497   17.950   0.6319   17.780   0.6401 0.1734000 0.8994000 
1 1 1   41    1    9 o   35.740   0.3324   35.920   0.4715   35.560   0.4686 0.3572000 0.6647000 
1 1 1   41    1   10 o   13.790   0.5645   14.560   0.7625   13.010   0.8325 1.547000 1.129000 
1 1 1   41    1   11 o   10.580   0.7139   9.9500   1.0690   11.210   0.9465 -1.256000 1.428000 
1 1 1   41    1   12 o   6.0410   1.2230   5.0430   1.7880   7.0380   1.6690 -1.995000 2.446000 
1 1 1   41    1   13 o   3.6280   1.1600   3.9520   1.7280   3.3040   1.5480 0.6487000 2.320000 
1 1 1   41    1   14 o   15.610   0.4859   15.220   0.6953   15.990   0.6791 -0.7733000 0.9719000 
1 1 1   41    1   15 o   11.900   0.6265   11.500   0.9125   12.290   0.8586 -0.7887000 1.253000 
1 1 1   41    1   16 o   4.4860   1.1920   4.4130   1.6750   4.5600   1.6980 -0.1467000 2.385000 
1 1 1   41    1   17 o   13.570   0.6767   13.210   1.0240   13.920   0.8849 -0.7064000 1.353000 
1 1 1   41    1   18 o   5.3320   1.3390   3.4540   1.6530   7.2110   2.1080 -3.757000 2.678000 
1 1 1   41    1   19 o   13.070   0.5952   13.570   0.7817   12.570   0.8977 1.005000 1.190000 
1 1 1   41    1   20 o   3.4030   1.0750   3.0170   1.4130   3.7890   1.6210 -0.7722000 2.150000 
1 1 1   41    1   21 o   15.010   0.5743   15.100   0.7989   14.920   0.8252 0.1808000 1.149000 
1 1 1   41    1   22 o   4.9430   1.2690   5.6970   1.8450   4.1880   1.7420 1.509000 2.538000 
1 1 1   41    1   23 o   3.5600   1.1390   3.6860   1.6430   3.4340   1.5780 0.2527000 2.278000 
1 1 1   41    1   24 o   6.6070   1.3380   7.1160   1.8430   6.0970   1.9410 1.019000 2.677000 
1 1 1   41    1   25 o   3.1810   1.0840   2.6000   1.3060   3.7610   1.7300 -1.161000 2.167000 
1 1 1   41    1   26 o   5.0950   1.4080   6.1440   2.0950   4.0450   1.8820 2.099000 2.816000 
1 1 1   41    1   27 o   3.1150   1.0520   2.6970   1.3320   3.5340   1.6300 -0.8371000 2.105000 
1 1 1   41    1   28 o   3.0400   1.0360   3.0730   1.4700   3.0070   1.4590 0.6641000E-01 2.071000 
1 1 1   41    1   29 o   2.0100   0.7313   1.9670   1.0130   2.0540   1.0550 -0.8671000E-01 1.463000 
1 1 1   41    3    0 o   35.500   0.5579  ?   ?    35.500   0.5579      ?      ? 
1 1 1   41    3    1 f   48.340   0.4303   47.920   0.6549   48.750   0.5585 -0.8307000 0.8607000 
1 1 1   41    3    2 o   19.930   0.3562   19.970   0.5125   19.880   0.4948 0.9541000E-01 0.7124000 
1 1 1   41    3    3 o   34.040   0.3109   34.180   0.4394   33.900   0.4400 0.2723000 0.6219000 
1 1 1   41    3    4 o   5.7940   1.2960   6.6820   1.7520   4.9060   1.9100 1.776000 2.592000 
1 1 1   41    3    5 o   37.640   0.4562   36.620   0.6073   38.660   0.6810 -2.037000 0.9125000 
1 1 1   41    3    6 o   12.070   0.6242   12.410   0.8662   11.720   0.8990 0.6943000 1.248000 
1 1 1   41    3    7 o   12.100   0.6202   12.640   0.8407   11.550   0.9121 1.091000 1.240000 
1 1 1   41    3    8 o   23.090   0.3708   23.430   0.5203   22.740   0.5285 0.6903000 0.7416000 
1 1 1   41    3    9 o   4.6640   1.1640   3.7960   1.5890   5.5320   1.7020 -1.736000 2.328000 
1 1 1   41    3   10 o   16.520   0.4571   16.280   0.6477   16.770   0.6451 -0.4906000 0.9142000 
1 1 1   41    3   11 o   17.570   0.4785   17.880   0.6514   17.260   0.7011 0.6244000 0.9571000 
1 1 1   41    3   12 o   25.490   0.3829   25.300   0.5266   25.670   0.5560 -0.3717000 0.7658000 
1 1 1   41    3   13 o   4.7480   1.2490   4.9110   1.7960   4.5850   1.7350 0.3259000 2.498000 
1 1 1   41    3   14 o   15.810   0.5306   15.380   0.8193   16.230   0.6745 -0.8523000 1.061000 
1 1 1   41    3   15 o   17.410   0.5153   16.770   0.6317   18.040   0.8142 -1.268000 1.031000 
1 1 1   41    3   16 o   11.820   0.6377   11.480   0.9062   12.160   0.8976 -0.6764000 1.275000 
1 1 1   41    3   17 o   3.9260   1.1500   5.0950   1.8690   2.7560   1.3390 2.339000 2.299000 
1 1 1   41    3   18 o   13.840   0.6876   14.240   0.8556   13.450   1.0770 0.7883000 1.375000 
1 1 1   41    3   19 o   9.5740   0.8017   9.3220   1.1380   9.8250   1.1300 -0.5034000 1.603000 
1 1 1   41    3   20 o   12.420   0.7045   13.620   0.9344   11.230   1.0550 2.394000 1.409000 
1 1 1   41    3   21 o   2.7110   0.9328   2.9320   1.3970   2.4910   1.2370 0.4413000 1.866000 
1 1 1   41    3   22 o   5.3250   1.2840   5.8770   1.8010   4.7730   1.8310 1.104000 2.569000 
1 1 1   41    3   23 o   5.0450   1.2860   4.0080   1.7220   6.0820   1.9110 -2.074000 2.572000 
1 1 1   41    3   24 o   3.4880   1.1390   3.3580   1.5680   3.6170   1.6530 -0.2590000 2.278000 
1 1 1   41    3   25 o   6.8830   1.4140   8.0180   1.9200   5.7480   2.0780 2.270000 2.829000 
1 1 1   41    3   26 o   3.6170   1.2030   3.7370   1.7320   3.4970   1.6700 0.2397000 2.406000 
1 1 1   41    3   27 o   4.6650   1.3140   5.3480   1.9450   3.9830   1.7680 1.365000 2.629000 
1 1 1   41    3   28 o   3.1070   1.0510   3.3830   1.5770   2.8320   1.3900 0.5510000 2.102000 
1 1 1   41    5    0 o   33.650   0.4170   33.810   0.4713   33.480   0.6880 0.3332000 0.8339000 
1 1 1   41    5    1 o   12.750   0.7508   12.330   0.6500   13.180   1.3540 -0.8504000 1.502000 
1 1 1   41    5    2 o   12.850   0.7655   11.890   0.7461   13.800   1.3370 -1.906000 1.531000 
1 1 1   41    5    3 o   16.690   0.6374   17.030   0.5805   16.350   1.1350 0.6751000 1.275000 
1 1 1   41    5    4 o   14.440   0.7395   14.620   0.6859   14.250   1.3100 0.3738000 1.479000 
1 1 1   41    5    5 o   13.990   0.8025   13.300   0.9254   14.680   1.3110 -1.373000 1.605000 
1 1 1   41    5    6 o   25.330   0.4836   25.690   0.4789   24.970   0.8403 0.7259000 0.9672000 
1 1 1   41    5    7 o   40.860   0.3795   41.140   0.4763   40.580   0.5908 0.5668000 0.7589000 
1 1 1   41    5    8 o   15.450   0.6051   15.740   0.6837   15.160   0.9985 0.5841000 1.210000 
1 1 1   41    5    9 o   16.960   0.4639   17.200   0.6340   16.710   0.6773 0.4838000 0.9277000 
1 1 1   41    5   10 o   11.320   0.7194   11.360   0.9657   11.290   1.0660 0.7270000E-01 1.439000 
1 1 1   41    5   11 o   3.9790   1.1740   3.7380   1.5870   4.2200   1.7320 -0.4820000 2.349000 
1 1 1   41    5   12 o   7.1830   1.0510   6.7860   1.5020   7.5800   1.4700 -0.7944000 2.102000 
1 1 1   41    5   13 o   3.5960   1.1340   3.5090   1.5860   3.6840   1.6200 -0.1743000 2.268000 
1 1 1   41    5   14 o   10.500   0.8343   9.7100   1.2740   11.290   1.0780 -1.582000 1.669000 
1 1 1   41    5   15 o   11.650   0.6778   11.660   0.9668   11.630   0.9503 0.2785000E-01 1.356000 
1 1 1   41    5   16 o   3.7820   1.1730   3.7480   1.6480   3.8160   1.6690 -0.6870000E-01 2.345000 
1 1 1   41    5   17 o   10.070   0.7555   10.800   0.9204   9.3300   1.1980 1.473000 1.511000 
1 1 1   41    5   18 o   3.8570   1.2020   3.1790   1.4780   4.5350   1.8960 -1.356000 2.404000 
1 1 1   41    5   19 f   5.6310   1.2460   5.7280   1.7080   5.5330   1.8140 0.1947000 2.491000 
1 1 1   41    5   20 f   4.1680   1.1890   3.5220   1.5620   4.8150   1.7920 -1.293000 2.377000 
1 1 1   41    5   21 o   3.5620   1.1280   3.8740   1.6700   3.2500   1.5180 0.6238000 2.257000 
1 1 1   41    5   22 o   3.9140   1.1980   4.0570   1.7040   3.7710   1.6850 0.2860000 2.396000 
1 1 1   41    5   23 o   5.3960   1.3200   6.3050   1.8830   4.4870   1.8490 1.818000 2.639000 
1 1 1   41    5   24 o   3.9350   1.2590   3.8290   1.7400   4.0410   1.8190 -0.2123000 2.517000 
1 1 1   41    5   25 o   4.9120   1.3420   4.9450   1.9050   4.8790   1.8900 0.6631000E-01 2.683000 
1 1 1   41    5   26 o   4.1950   1.3210   3.8900   1.7810   4.5000   1.9500 -0.6095000 2.641000 
1 1 1   41    5   27 o   3.0940   1.0520   2.8540   1.3980   3.3340   1.5720 -0.4809000 2.104000 
1 1 1   41    5   28 o   3.0810   1.0610   3.1840   1.5460   2.9770   1.4520 0.2062000 2.122000 
1 1 1   41    7    0 o   35.740   0.3588   36.000   0.4966   35.490   0.5180 0.5037000 0.7176000 
1 1 1   41    7    1 o   33.880   0.2988   33.290   0.4080   34.470   0.4367 -1.176000 0.5977000 
1 1 1   41    7    2 o   25.210   0.3126   24.950   0.4275   25.470   0.4563 -0.5178000 0.6253000 
1 1 1   41    7    3 o   23.060   0.3442   23.550   0.4698   22.570   0.5030 0.9774000 0.6883000 
1 1 1   41    7    4 o   4.3120   1.1210   4.9540   1.6200   3.6700   1.5520 1.284000 2.243000 
1 1 1   41    7    5 o   17.770   0.5617   19.010   0.6717   16.540   0.9005 2.475000 1.123000 
1 1 1   41    7    6 o   25.090   0.3538   25.640   0.4811   24.550   0.5189 1.082000 0.7076000 
1 1 1   41    7    7 o   15.050   0.5555   16.380   0.6474   13.720   0.9028 2.663000 1.111000 
1 1 1   41    7    8 f   18.840   0.6033   18.840   0.6033  ?   ?       ?      ? 
1 1 1   41    7    9 o   8.1200   1.5500   7.8670   1.3860   8.3730   2.7730 -0.5057000 3.100000 
1 1 1   41    7   10 o   11.740   0.9183   11.620   0.8763   11.850   1.6140 -0.2289000 1.837000 
1 1 1   41    7   11 o   14.750   0.7159   14.490   0.7167   15.020   1.2390 -0.5333000 1.432000 
1 1 1   41    7   12 f   8.3040   1.2110   6.8110   1.4820   9.7980   1.9170 -2.987000 2.423000 
1 1 1   41    7   13 o   8.2270   1.3560   7.9530   1.6230   8.5000   2.1740 -0.5469000 2.713000 
1 1 1   41    7   14 o   11.390   1.4570   11.710   1.5310   11.060   2.4790 0.6454000 2.913000 
1 1 1   41    7   15 o   16.050   0.9747   16.600   0.7695   15.500   1.7910 1.099000 1.949000 
1 1 1   41    7   16 o   5.0490   1.3790   4.4980   1.6710   5.6010   2.1930 -1.103000 2.757000 
1 1 1   41    7   17 o   5.4660   1.3750   5.5080   1.6800   5.4240   2.1780 0.8406000E-01 2.751000 
1 1 1   41    7   18 o   3.1980   1.0980   2.8930   1.3960   3.5020   1.6940 -0.6098000 2.195000 
1 1 1   41    7   19 o   5.6080   1.3150   6.5880   1.6590   4.6290   2.0420 1.959000 2.631000 
1 1 1   41    7   20 o   4.1070   1.2590   4.4040   1.7390   3.8110   1.8220 0.5929000 2.519000 
1 1 1   41    7   21 o   4.5160   1.3640   4.3560   1.7440   4.6750   2.0980 -0.3189000 2.729000 
1 1 1   41    7   22 o   5.6580   1.3370   6.8820   1.7560   4.4330   2.0160 2.449000 2.674000 
1 1 1   41    7   23 f   4.7540   1.4940   4.6560   1.9110   4.8530   2.2970 -0.1963000 2.988000 
1 1 1   41    7   24 o   3.4660   1.1870   3.6540   1.6940   3.2780   1.6640 0.3762000 2.374000 
1 1 1   41    7   25 o   3.2380   1.1650   2.5380   1.2670   3.9380   1.9560 -1.401000 2.330000 
1 1 1   41    7   26 o   2.8910   1.0250   2.8380   1.4090   2.9430   1.4870 -0.1045000 2.049000 
1 1 1   41    7   27 o   3.1500   1.1010   2.7140   1.3460   3.5850   1.7430 -0.8709000 2.202000 
1 1 1   41    7   28 o   2.3220   0.8443   2.3010   1.1740   2.3430   1.2140 -0.4113000E-01 1.689000 
1 1 1   41    9    0 o   45.050   0.3346   44.850   0.4664   45.260   0.4799 -0.4136000 0.6692000 
1 1 1   41    9    1 o   14.980   0.4265   14.920   0.5601   15.040   0.6434 -0.1227000 0.8530000 
1 1 1   41    9    2 o   12.620   0.5092   12.240   0.6763   13.000   0.7614 -0.7568000 1.018000 
1 1 1   41    9    3 o   19.350   0.3699   19.380   0.4908   19.330   0.5536 0.5081000E-01 0.7398000 
1 1 1   41    9    4 o   18.470   0.5077   18.940   0.6562   18.000   0.7749 0.9356000 1.015000 
1 1 1   41    9    5 o   16.950   0.5399   16.350   0.7042   17.540   0.8186 -1.191000 1.080000 
1 1 1   41    9    6 o   20.880   0.4017   20.450   0.5441   21.320   0.5911 -0.8723000 0.8034000 
1 1 1   41    9    7 o   21.920   0.4019   21.270   0.5532   22.580   0.5831 -1.310000 0.8038000 
1 1 1   41    9    8 o   13.070   0.5534   13.090   0.7485   13.050   0.8153 0.4607000E-01 1.107000 
1 1 1   41    9    9 o   3.1840   1.0230   3.0990   1.4140   3.2690   1.4790 -0.1700000 2.046000 
1 1 1   41    9   10 f   13.330   0.5409   13.700   0.7212   12.970   0.8063 0.7250000 1.082000 
1 1 1   41    9   11 o   7.5850   0.9815   7.2440   1.4180   7.9260   1.3580 -0.6819000 1.963000 
1 1 1   41    9   12 o   3.1530   1.0200   3.0910   1.4180   3.2150   1.4660 -0.1245000 2.039000 
1 1 1   41    9   13 o   4.4830   1.3010   6.0910   2.1860   2.8750   1.4120 3.217000 2.603000 
1 1 1   41    9   14 o   18.750   0.4960   18.970   0.6943   18.530   0.7085 0.4433000 0.9920000 
1 1 1   41    9   15 f   12.800   0.6033   13.430   0.7777   12.180   0.9225 1.250000 1.207000 
1 1 1   41    9   16 o   16.760   0.4778   16.520   0.6552   17.010   0.6957 -0.4849000 0.9557000 
1 1 1   41    9   17 o   8.6950   0.9365   9.2730   1.1660   8.1160   1.4660 1.157000 1.873000 
1 1 1   41    9   18 o   7.6770   1.2540   6.1580   1.8110   9.1950   1.7340 -3.037000 2.507000 
1 1 1   41    9   19 o   4.4930   1.2000   5.3230   1.7640   3.6630   1.6260 1.660000 2.399000 
1 1 1   41    9   20 o   7.3490   1.1300   9.3580   1.2480   5.3410   1.8840 4.017000 2.260000 
1 1 1   41    9   21 o   8.1110   1.1310   9.2830   1.3090   6.9390   1.8440 2.343000 2.262000 
1 1 1   41    9   22 o   5.5670   1.2820   7.1610   1.8590   3.9740   1.7660 3.187000 2.564000 
1 1 1   41    9   23 o   5.2810   1.3950   4.1860   1.8300   6.3760   2.1070 -2.189000 2.791000 
1 1 1   41    9   24 o   5.1410   1.2790   3.5890   1.6380   6.6940   1.9660 -3.105000 2.559000 
1 1 1   41    9   25 o   3.2830   1.1160   2.4700   1.2510   4.0960   1.8480 -1.626000 2.232000 
1 1 1   41    9   26 o   3.7500   1.2330   3.5440   1.6750   3.9570   1.8090 -0.4133000 2.466000 
1 1 1   41    9   27 o   2.2640   0.8181   2.2440   1.1480   2.2840   1.1660 -0.3999000E-01 1.636000 
1 1 1   41   11    0 o   28.250   0.3082   28.130   0.4234   28.370   0.4481 -0.2449000 0.6165000 
1 1 1   41   11    1 o   14.430   0.4840   13.730   0.6617   15.120   0.7066 -1.390000 0.9681000 
1 1 1   41   11    2 o   14.760   0.4881   14.580   0.6597   14.940   0.7196 -0.3669000 0.9762000 
1 1 1   41   11    3 o   7.4410   1.1460   5.6370   1.7000   9.2450   1.5380 -3.608000 2.293000 
1 1 1   41   11    4 o   19.490   0.5102   18.800   0.6571   20.180   0.7807 -1.372000 1.020000 
1 1 1   41   11    5 o   5.1510   1.1050   6.0500   1.4820   4.2520   1.6390 1.798000 2.210000 
1 1 1   41   11    6 o   25.850   0.3348   25.580   0.4673   26.120   0.4795 -0.5401000 0.6696000 
1 1 1   41   11    7 f   3.0750   0.9948   2.9120   1.3510   3.2370   1.4610 -0.3245000 1.990000 
1 1 1   41   11    8 o   9.9500   0.7174   9.7940   0.9973   10.110   1.0310 -0.3129000 1.435000 
1 1 1   41   11    9 o   20.460   0.3931   20.100   0.5399   20.810   0.5717 -0.7118000 0.7863000 
1 1 1   41   11   10 o   4.4110   1.1450   5.0420   1.6340   3.7810   1.6030 1.261000 2.289000 
1 1 1   41   11   11 o   19.990   0.4526   20.250   0.6397   19.740   0.6404 0.5106000 0.9052000 
1 1 1   41   11   12 o   15.300   0.7706   15.660   1.1620   14.940   1.0130 0.7286000 1.541000 
1 1 1   41   11   13 o   9.1940   1.2110   9.5970   1.3860   8.7920   1.9860 0.8050000 2.422000 
1 1 1   41   11   14 o   5.3380   1.2440   3.9430   1.6170   6.7330   1.8920 -2.790000 2.489000 
1 1 1   41   11   15 f   16.720   0.5552   16.380   0.6871   17.070   0.8724 -0.6956000 1.110000 
1 1 1   41   11   16 o   10.270   0.9779   11.790   0.9219   8.7610   1.7250 3.026000 1.956000 
1 1 1   41   11   17 o   7.3790   1.6220   6.3290   1.8790   8.4290   2.6440 -2.100000 3.244000 
1 1 1   41   11   18 o   7.9900   1.2740   8.4810   1.4370   7.4990   2.1040 0.9823000 2.548000 
1 1 1   41   11   19 o   13.470   0.7741   12.780   0.9395   14.160   1.2300 -1.376000 1.548000 
1 1 1   41   11   20 o   6.6320   1.3950   5.4030   1.8440   7.8620   2.0950 -2.458000 2.791000 
1 1 1   41   11   21 o   4.2210   1.3110   3.4840   1.6110   4.9580   2.0690 -1.474000 2.622000 
1 1 1   41   11   22 o   5.7100   1.4300   6.4660   1.9690   4.9540   2.0740 1.512000 2.860000 
1 1 1   41   11   23 o   4.7930   1.2930   6.0230   1.9420   3.5630   1.7090 2.460000 2.587000 
1 1 1   41   11   24 o   3.0210   1.0570   2.7460   1.3530   3.2960   1.6240 -0.5502000 2.114000 
1 1 1   41   11   25 o   3.2520   1.1410   3.1380   1.5330   3.3660   1.6910 -0.2281000 2.283000 
1 1 1   41   11   26 o   3.0560   1.0660   3.2910   1.5920   2.8220   1.4190 0.4697000 2.133000 
1 1 1   41   11   27 o   1.7640   0.9193   1.7640   0.9193  ?   ?       ?      ? 
1 1 1   41   13    0 o   10.730   0.5876   10.080   0.8558   11.370   0.8053 -1.286000 1.175000 
1 1 1   41   13    1 o   15.800   0.4951   14.790   0.6906   16.800   0.7097 -2.003000 0.9903000 
1 1 1   41   13    2 o   16.720   0.4917   16.490   0.6477   16.950   0.7399 -0.4570000 0.9833000 
1 1 1   41   13    3 o   13.600   0.5590   13.770   0.6847   13.420   0.8837 0.3442000 1.118000 
1 1 1   41   13    4 o   22.790   0.3832   22.740   0.4755   22.850   0.6011 -0.1106000 0.7664000 
1 1 1   41   13    5 o   4.0590   1.1530   3.4650   1.4700   4.6520   1.7760 -1.187000 2.306000 
1 1 1   41   13    6 o   22.650   0.3863   22.640   0.4697   22.670   0.6133 -0.3307000E-01 0.7725000 
1 1 1   41   13    7 o   17.210   0.4804   16.060   0.6318   18.360   0.7238 -2.305000 0.9607000 
1 1 1   41   13    8 o   16.930   0.5215   16.220   0.7101   17.630   0.7640 -1.409000 1.043000 
1 1 1   41   13    9 o   23.230   0.4243   22.590   0.5666   23.860   0.6318 -1.264000 0.8487000 
1 1 1   41   13   10 o   9.7330   0.9444   11.330   1.0360   8.1340   1.5790 3.198000 1.889000 
1 1 1   41   13   11 o   5.0900   1.3720   3.8650   1.7090   6.3160   2.1460 -2.451000 2.744000 
1 1 1   41   13   12 o   5.5030   1.4150   4.2790   1.8090   6.7270   2.1770 -2.448000 2.831000 
1 1 1   41   13   13 o   7.1960   1.1960   7.7550   1.3910   6.6370   1.9470 1.118000 2.393000 
1 1 1   41   13   14 o   17.280   0.5617   18.160   0.6469   16.400   0.9185 1.761000 1.123000 
1 1 1   41   13   15 o   8.7660   1.0490   8.1350   1.3790   9.3980   1.5810 -1.264000 2.098000 
1 1 1   41   13   16 o   6.0620   1.4670   4.9280   1.7990   7.1950   2.3170 -2.267000 2.934000 
1 1 1   41   13   17 o   8.1670   1.2910   6.0890   1.9550   10.240   1.6860 -4.154000 2.582000 
1 1 1   41   13   18 o   5.3040   1.3220   4.7050   1.8040   5.9020   1.9320 -1.197000 2.644000 
1 1 1   41   13   19 o   4.9850   1.2970   5.6440   1.8470   4.3260   1.8200 1.318000 2.593000 
1 1 1   41   13   20 o   4.5520   1.2710   3.1850   1.5240   5.9200   2.0340 -2.735000 2.541000 
1 1 1   41   13   21 o   4.0540   1.2360   4.4200   1.8150   3.6890   1.6790 0.7308000 2.472000 
1 1 1   41   13   22 o   2.9270   1.0090   2.9690   1.4420   2.8850   1.4110 0.8393000E-01 2.017000 
1 1 1   41   13   23 o   3.0640   1.0400   3.5100   1.6200   2.6180   1.3040 0.8926000 2.080000 
1 1 1   41   13   24 o   2.8770   1.0020   2.8830   1.4100   2.8710   1.4250 0.1165000E-01 2.005000 
1 1 1   41   13   25 f   3.1830   1.1180   3.3780   1.6630   2.9870   1.4950 0.3911000 2.236000 
1 1 1   41   13   26 o   2.6170   0.9550   2.3540   1.2080   2.8790   1.4790 -0.5250000 1.910000 
1 1 1   41   15    0 o   18.250   0.4447   18.440   0.5830   18.060   0.6716 0.3796000 0.8893000 
1 1 1   41   15    1 o   14.790   0.5142   15.540   0.6056   14.030   0.8311 1.514000 1.028000 
1 1 1   41   15    2 o   23.950   0.3730   24.250   0.4609   23.640   0.5866 0.6068000 0.7460000 
1 1 1   41   15    3 o   10.340   0.7065   9.7130   0.9483   10.960   1.0480 -1.248000 1.413000 
1 1 1   41   15    4 o   24.040   0.3992   23.820   0.5238   24.270   0.6026 -0.4481000 0.7985000 
1 1 1   41   15    5 o   25.610   0.3911   25.600   0.5200   25.620   0.5843 -0.1509000E-01 0.7822000 
1 1 1   41   15    6 o   3.7770   1.1330   3.5100   1.5260   4.0440   1.6750 -0.5335000 2.266000 
1 1 1   41   15    7 o   3.0870   1.0000   3.1710   1.4230   3.0020   1.4070 0.1693000 2.001000 
1 1 1   41   15    8 o   4.0050   1.1320   4.5840   1.6690   3.4250   1.5280 1.159000 2.263000 
1 1 1   41   15    9 o   14.640   0.5292   14.980   0.7145   14.300   0.7807 0.6839000 1.058000 
1 1 1   41   15   10 o   8.1100   1.2140   8.0660   1.7470   8.1540   1.6870 -0.8788000E-01 2.428000 
1 1 1   41   15   11 o   7.9990   1.2380   9.1720   1.5560   6.8260   1.9270 2.345000 2.477000 
1 1 1   41   15   12 o   4.1220   1.1830   4.3670   1.6920   3.8760   1.6540 0.4905000 2.366000 
1 1 1   41   15   13 o   8.5140   0.9712   8.4850   1.3040   8.5440   1.4390 -0.5895000E-01 1.942000 
1 1 1   41   15   14 o   5.8670   1.2270   6.7860   1.6520   4.9470   1.8130 1.839000 2.453000 
1 1 1   41   15   15 o   4.1730   1.2130   4.2340   1.7180   4.1120   1.7120 0.1219000 2.425000 
1 1 1   41   15   16 o   7.0700   1.3890   6.5260   1.9300   7.6140   1.9990 -1.088000 2.779000 
1 1 1   41   15   17 o   6.1600   1.3010   6.5230   1.7780   5.7960   1.9000 0.7269000 2.602000 
1 1 1   41   15   18 o   5.2150   1.2520   6.8740   1.8770   3.5570   1.6590 3.317000 2.505000 
1 1 1   41   15   19 o   5.6660   1.4200   6.3030   2.0010   5.0290   2.0160 1.274000 2.841000 
1 1 1   41   15   20 o   3.9420   1.2280   4.0810   1.7580   3.8030   1.7150 0.2780000 2.456000 
1 1 1   41   15   21 o   3.2820   1.0800   3.9950   1.7390   2.5690   1.2820 1.426000 2.161000 
1 1 1   41   15   22 o   3.7230   1.1730   4.2710   1.7940   3.1760   1.5130 1.095000 2.347000 
1 1 1   41   15   23 o   3.0100   1.0250   3.6140   1.6530   2.4060   1.2130 1.208000 2.050000 
1 1 1   41   15   24 o   3.1330   1.1030   3.4040   1.6700   2.8630   1.4400 0.5405000 2.206000 
1 1 1   41   15   25 o   1.9510   0.7182   2.0030   1.0420   1.8980   0.9887 0.1053000 1.436000 
1 1 1   41   17    0 o   18.770   0.4230   18.520   0.5904   19.020   0.6060 -0.5014000 0.8461000 
1 1 1   41   17    1 o   8.2310   0.9034   8.8840   1.1540   7.5780   1.3900 1.306000 1.807000 
1 1 1   41   17    2 o   10.850   0.6319   10.810   0.8599   10.890   0.9262 -0.7585000E-01 1.264000 
1 1 1   41   17    3 o   21.450   0.3723   21.670   0.5098   21.230   0.5427 0.4314000 0.7446000 
1 1 1   41   17    4 o   12.350   0.5951   12.790   0.7586   11.920   0.9172 0.8790000 1.190000 
1 1 1   41   17    5 o   7.3550   1.0250   7.0020   1.4150   7.7080   1.4820 -0.7056000 2.049000 
1 1 1   41   17    6 o   16.820   0.4639   17.090   0.6076   16.560   0.7012 0.5327000 0.9279000 
1 1 1   41   17    7 o   12.940   0.5915   13.430   0.7588   12.440   0.9077 0.9875000 1.183000 
1 1 1   41   17    8 o   10.200   0.7605   9.8890   1.0500   10.510   1.1000 -0.6225000 1.521000 
1 1 1   41   17    9 o   13.130   0.7776   12.020   1.1580   14.240   1.0380 -2.223000 1.555000 
1 1 1   41   17   10 o   6.8850   1.1630   7.7650   1.4650   6.0050   1.8060 1.760000 2.326000 
1 1 1   41   17   11 o   7.1040   1.1320   5.5800   1.7610   8.6290   1.4220 -3.049000 2.263000 
1 1 1   41   17   12 o   4.2610   1.2090   3.5900   1.5750   4.9310   1.8350 -1.342000 2.418000 
1 1 1   41   17   13 o   3.8450   1.1760   3.9540   1.6700   3.7360   1.6560 0.2172000 2.352000 
1 1 1   41   17   14 o   4.8340   1.3580   3.8100   1.7090   5.8580   2.1110 -2.048000 2.716000 
1 1 1   41   17   15 o   4.9730   1.3870   5.3530   1.9710   4.5930   1.9520 0.7596000 2.775000 
1 1 1   41   17   16 o   6.5090   1.3050   4.9420   1.9170   8.0770   1.7710 -3.135000 2.610000 
1 1 1   41   17   17 o   4.7010   1.3370   3.8940   1.7360   5.5090   2.0350 -1.616000 2.675000 
1 1 1   41   17   18 o   5.3750   1.3120   4.0740   1.7550   6.6750   1.9500 -2.600000 2.623000 
1 1 1   41   17   19 o   3.8770   1.2230   3.9510   1.7350   3.8040   1.7230 0.1469000 2.445000 
1 1 1   41   17   20 o   4.1860   1.2690   4.2600   1.8070   4.1120   1.7830 0.1478000 2.538000 
1 1 1   41   17   21 o   4.1640   1.2510   4.7540   1.8890   3.5740   1.6420 1.180000 2.503000 
1 1 1   41   17   22 o   2.8040   0.9863   3.1060   1.5130   2.5030   1.2650 0.6038000 1.973000 
1 1 1   41   17   23 o   2.8010   0.9811   2.7160   1.3520   2.8850   1.4220 -0.1682000 1.962000 
1 1 1   41   19    0 o   7.5830   0.9731   8.6780   1.1150   6.4880   1.5950 2.191000 1.946000 
1 1 1   41   19    1 o   3.8280   1.1110   3.3480   1.4680   4.3090   1.6680 -0.9608000 2.222000 
1 1 1   41   19    2 o   6.8740   1.0520   6.7910   1.4390   6.9580   1.5340 -0.1673000 2.103000 
1 1 1   41   19    3 o   11.370   0.6424   11.170   0.8751   11.570   0.9408 -0.3998000 1.285000 
1 1 1   41   19    4 o   10.910   0.6955   10.450   0.9564   11.370   1.0100 -0.9203000 1.391000 
1 1 1   41   19    5 o   4.0220   1.1120   5.0000   1.6990   3.0440   1.4370 1.955000 2.225000 
1 1 1   41   19    6 o   6.7970   1.1710   6.3030   1.6320   7.2900   1.6800 -0.9876000 2.342000 
1 1 1   41   19    7 o   4.6060   1.3420   4.6100   1.8770   4.6010   1.9170 0.8726000E-02 2.683000 
1 1 1   41   19    8 o   13.660   0.6896   13.890   1.0260   13.440   0.9218 0.4525000 1.379000 
1 1 1   41   19    9 o   7.5920   1.0950   9.5240   1.1590   5.6610   1.8590 3.863000 2.191000 
1 1 1   41   19   10 o   3.4170   1.0890   3.6360   1.5780   3.1970   1.5000 0.4392000 2.177000 
1 1 1   41   19   11 o   6.6700   1.2260   6.5900   1.6440   6.7490   1.8180 -0.1595000 2.451000 
1 1 1   41   19   12 o   5.2230   1.2860   4.4210   1.7660   6.0260   1.8710 -1.605000 2.573000 
1 1 1   41   19   13 o   14.550   0.7778   15.190   1.0010   13.920   1.1910 1.269000 1.556000 
1 1 1   41   19   14 o   7.5640   1.4140   9.4230   1.7600   5.7060   2.2130 3.718000 2.827000 
1 1 1   41   19   15 o   13.740   0.7362   13.420   0.9582   14.060   1.1180 -0.6437000 1.472000 
1 1 1   41   19   16 o   4.8450   1.2090   6.3920   1.8400   3.2980   1.5670 3.093000 2.417000 
1 1 1   41   19   17 o   4.2440   1.2710   4.6690   1.8670   3.8190   1.7260 0.8501000 2.542000 
1 1 1   41   19   18 o   3.8380   1.2010   4.3830   1.8280   3.2940   1.5590 1.089000 2.403000 
1 1 1   41   19   19 o   3.4020   1.1240   3.1110   1.4970   3.6930   1.6780 -0.5823000 2.249000 
1 1 1   41   19   20 o   3.4800   1.1610   3.3290   1.5950   3.6310   1.6870 -0.3013000 2.322000 
1 1 1   41   19   21 o   2.9180   1.0140   2.7300   1.3470   3.1060   1.5160 -0.3760000 2.028000 
1 1 1   41   19   22 o   2.4210   0.8873   2.5150   1.3010   2.3260   1.2070 0.1882000 1.775000 
1 1 1   41   21    0 o   6.6490   1.1350   6.8610   1.4970   6.4380   1.7060 0.4229000 2.269000 
1 1 1   41   21    1 o   5.2390   1.1230   6.6940   1.5450   3.7830   1.6300 2.911000 2.246000 
1 1 1   41   21    2 o   3.9880   1.1640   3.5070   1.5340   4.4690   1.7520 -0.9613000 2.329000 
1 1 1   41   21    3 o   5.8850   1.3070   6.1650   1.6570   5.6060   2.0220 0.5593000 2.614000 
1 1 1   41   21    4 o   11.950   0.8601   12.100   1.1520   11.810   1.2770 0.2836000 1.720000 
1 1 1   41   21    5 o   3.3030   1.1070   3.4850   1.6140   3.1200   1.5140 0.3651000 2.213000 
1 1 1   41   21    6 o   5.5460   1.2120   4.1430   1.6820   6.9490   1.7460 -2.806000 2.424000 
1 1 1   41   21    7 o   3.9750   1.1900   3.5010   1.5530   4.4480   1.8030 -0.9467000 2.379000 
1 1 1   41   21    8 o   7.7540   1.1340   8.2810   1.3980   7.2260   1.7850 1.056000 2.268000 
1 1 1   41   21    9 o   5.6090   1.2580   4.3670   1.7420   6.8510   1.8160 -2.484000 2.516000 
1 1 1   41   21   10 o   5.4570   1.3400   6.2780   1.9090   4.6350   1.8820 1.642000 2.681000 
1 1 1   41   21   11 o   4.6050   1.3440   5.6270   2.0710   3.5840   1.7140 2.043000 2.688000 
1 1 1   41   21   12 o   3.9370   1.7410   3.9370   1.7410  ?   ?       ?      ? 
1 1 1   41   21   13 o   3.7520   1.1950   4.2440   1.8230   3.2610   1.5470 0.9833000 2.391000 
1 1 1   41   21   14 o   4.9050   1.3440   4.6550   1.8480   5.1560   1.9530 -0.5010000 2.689000 
1 1 1   41   21   15 o   5.1710   1.3040   3.9740   1.7200   6.3670   1.9590 -2.393000 2.607000 
1 1 1   41   21   16 o   3.5170   1.1480   3.4700   1.6020   3.5640   1.6440 -0.9340000E-01 2.295000 
1 1 1   41   21   17 o   2.9390   1.0110   2.8760   1.4040   3.0010   1.4550 -0.1247000 2.022000 
1 1 1   41   21   18 o   2.8560   1.0020   3.0000   1.4730   2.7130   1.3590 0.2862000 2.004000 
1 1 1   41   21   19 o   3.2760   1.0880   3.4290   1.5840   3.1230   1.4910 0.3059000 2.175000 
1 1 1   41   21   20 o   2.2960   0.8260   2.1030   1.0700   2.4880   1.2590 -0.3857000 1.652000 
1 1 1   41   23    0 o   7.4270   1.3030   8.2830   1.6500   6.5710   2.0160 1.712000 2.605000 
1 1 1   41   23    1 o   3.5770   1.1600   4.0420   1.7620   3.1120   1.5100 0.9299000 2.320000 
1 1 1   41   23    2 o   8.1700   1.1670   7.3370   1.8850   9.0040   1.3760 -1.667000 2.333000 
1 1 1   41   23    3 o   6.5400   1.2190   7.3180   1.5700   5.7630   1.8640 1.555000 2.437000 
1 1 1   41   23    4 o   11.390   0.9041   9.4880   1.5390   13.290   0.9493 -3.801000 1.808000 
1 1 1   41   23    5 o   6.2200   1.2840   7.6930   1.7580   4.7470   1.8720 2.946000 2.568000 
1 1 1   41   23    6 o   6.9910   1.3050   7.3080   1.8030   6.6740   1.8880 0.6338000 2.611000 
1 1 1   41   23    7 o   4.5230   1.2570   3.3730   1.5780   5.6740   1.9560 -2.301000 2.513000 
1 1 1   41   23    8 o   3.7520   1.1720   3.0150   1.4360   4.4890   1.8530 -1.474000 2.345000 
1 1 1   41   23    9 f   5.0990   1.3980   4.8280   1.9040   5.3700   2.0480 -0.5418000 2.797000 
1 1 1   41   23   10 o   8.4310   1.2620   10.470   1.3710   6.3910   2.1200 4.079000 2.525000 
1 1 1   41   23   11 o   2.4590   0.8754   2.1290   1.0830   2.7890   1.3760 -0.6591000 1.751000 
1 1 1   41   23   12 o   3.3620   1.1120   3.4150   1.5790   3.3090   1.5660 0.1060000 2.224000 
1 1 1   41   23   13 o   3.9020   1.2040   3.1900   1.5150   4.6130   1.8720 -1.423000 2.408000 
1 1 1   41   23   14 o   5.3790   1.3340   6.2020   1.9130   4.5560   1.8590 1.646000 2.667000 
1 1 1   41   23   15 o   3.0010   1.0500   3.0380   1.5040   2.9640   1.4650 0.7407000E-01 2.099000 
1 1 1   41   23   16 o   3.6320   1.1940   3.3270   1.5820   3.9360   1.7890 -0.6092000 2.388000 
1 1 1   41   23   17 o   2.9500   1.0040   3.4070   1.5740   2.4930   1.2470 0.9142000 2.008000 
1 1 1   41   23   18 o   2.0250   0.7452   1.9800   1.0300   2.0700   1.0770 -0.9028000E-01 1.490000 
1 1 1   41   25    0 o   5.0060   1.3550   5.2610   1.9340   4.7500   1.9000 0.5110000 2.711000 
1 1 1   41   25    1 o   7.3950   1.2030   8.5310   1.4260   6.2600   1.9390 2.271000 2.407000 
1 1 1   41   25    2 o   3.9210   1.1940   3.5450   1.5930   4.2970   1.7790 -0.7520000 2.388000 
1 1 1   41   25    3 o   5.4480   1.3080   5.2190   1.8130   5.6760   1.8870 -0.4570000 2.617000 
1 1 1   41   25    4 o   8.8230   1.0570   7.3370   1.6900   10.310   1.2710 -2.971000 2.115000 
1 1 1   41   25    5 o   6.6020   1.2390   5.3200   1.8380   7.8830   1.6620 -2.563000 2.478000 
1 1 1   41   25    6 o   4.2680   1.3000   4.2140   1.8080   4.3230   1.8690 -0.1091000 2.600000 
1 1 1   41   25    7 o   4.0780   1.2450   4.8810   1.9280   3.2750   1.5760 1.606000 2.490000 
1 1 1   41   25    8 o   5.9810   1.3290   5.5580   1.8600   6.4050   1.8980 -0.8466000 2.657000 
1 1 1   41   25    9 o   3.4750   1.1250   2.9340   1.4140   4.0160   1.7490 -1.082000 2.250000 
1 1 1   41   25   10 o   3.8850   1.2090   3.6140   1.6430   4.1570   1.7750 -0.5427000 2.418000 
1 1 1   41   25   11 o   3.1330   1.0750   3.5540   1.6700   2.7120   1.3540 0.8420000 2.150000 
1 1 1   41   25   12 o   3.7450   1.2040   4.5650   1.9240   2.9250   1.4490 1.640000 2.409000 
1 1 1   41   25   13 o   3.2100   1.0950   3.3160   1.5840   3.1040   1.5130 0.2118000 2.190000 
1 1 1   41   25   14 o   2.2140   0.7937   2.1180   1.0780   2.3100   1.1660 -0.1918000 1.587000 
1 1 1   41   25   15 o   2.6110   0.9139   2.4180   1.2100   2.8030   1.3700 -0.3847000 1.828000 
1 1 1   41   27    0 o   10.240   0.9813   9.5660   1.2900   10.910   1.4790 -1.344000 1.963000 
1 1 1   41   27    1 o   8.1580   1.3220   7.7700   1.8640   8.5460   1.8760 -0.7758000 2.645000 
1 1 1   41   27    2 o   5.9660   1.4120   4.7560   1.9270   7.1770   2.0650 -2.421000 2.824000 
1 1 1   41   27    3 o   5.6260   1.4440   5.2330   1.9830   6.0190   2.1010 -0.7865000 2.889000 
1 1 1   41   27    4 o   4.8810   1.3010   4.2740   1.7570   5.4880   1.9200 -1.214000 2.602000 
1 1 1   41   27    5 o   2.9210   0.9991   2.6630   1.3120   3.1800   1.5070 -0.5175000 1.998000 
1 1 1   41   27    6 o   3.3040   1.1050   3.6260   1.6640   2.9820   1.4540 0.6438000 2.210000 
1 1 1   41   27    7 o   3.2390   1.0890   3.5640   1.6490   2.9140   1.4240 0.6494000 2.179000 
1 1 1   41   27    8 o   2.7430   0.9600   2.5920   1.2910   2.8940   1.4210 -0.3023000 1.920000 
1 1 1   41   27    9 o   3.1330   1.0460   2.9490   1.4120   3.3170   1.5450 -0.3676000 2.093000 
1 1 1   41   27   10 o   2.3860   0.8464   2.5930   1.2830   2.1790   1.1050 0.4148000 1.693000 
1 1 1   41   27   11 o   2.3250   0.8279   2.2190   1.1210   2.4320   1.2180 -0.2133000 1.656000 
1 1 1   41   29    0 o   3.9420   1.2320   4.0770   1.7700   3.8070   1.7130 0.2703000 2.463000 
1 1 1   41   29    1 o   2.8250   0.9814   2.9100   1.4190   2.7410   1.3560 0.1687000 1.963000 
1 1 1   41   29    2 o   3.2010   1.0620   3.2270   1.5080   3.1750   1.4960 0.5216000E-01 2.124000 
1 1 1   41   29    3 o   2.6200   0.9121   2.7170   1.3260   2.5230   1.2530 0.1945000 1.824000 
1 1 1   41   29    4 o   2.2120   0.7902   2.0860   1.0600   2.3380   1.1730 -0.2525000 1.580000 
1 1 1   41   29    5 o   2.7160   0.9340   3.0860   1.4500   2.3460   1.1780 0.7394000 1.868000 
1 1 1   41   29    6 o   2.8180   0.9880   3.1570   1.5180   2.4780   1.2650 0.6794000 1.976000 
1 1 1   42    0    0 o   26.600   0.4269   26.600   0.4269   26.600   0.4269 -0.000000 0.000000 
1 1 1   42    0    1 o   40.020   0.5015   40.020   0.5015   40.020   0.5015 -0.000000 0.000000 
1 1 1   42    0    2 o   10.870   0.9133   10.870   0.9133   10.870   0.9133 0.000000 0.000000 
1 1 1   42    0    3 o   3.1510   2.0630   3.1510   2.0630   3.1510   2.0630 0.000000 0.000000 
1 1 1   42    0    4 o   38.790   0.4596   38.790   0.4596   38.790   0.4596 0.000000 0.000000 
1 1 1   42    0    5 o   7.5630   1.5490   7.5630   1.5490   7.5630   1.5490 -0.000000 0.000000 
1 1 1   42    0    6 o   41.470   0.4777   41.470   0.4777   41.470   0.4777 -0.000000 0.000000 
1 1 1   42    0    7 o   4.9950   2.1230   4.9950   2.1230   4.9950   2.1230 -0.000000 0.000000 
1 1 1   42    0    8 o   2.7010   1.7210   2.7010   1.7210   2.7010   1.7210 -0.000000 0.000000 
1 1 1   42    0    9 o   6.8420   1.8090   6.8420   1.8090   6.8420   1.8090 0.000000 0.000000 
1 1 1   42    0   10 o   23.590   0.5187   23.590   0.5187   23.590   0.5187 0.000000 0.000000 
1 1 1   42    0   11 o   8.7570   1.2870   8.7570   1.2870   8.7570   1.2870 -0.000000 0.000000 
1 1 1   42    0   12 o   19.690   0.7323   19.690   0.7323   19.690   0.7323 -0.000000 0.000000 
1 1 1   42    0   13 o   3.5910   2.1090   3.5910   2.1090   3.5910   2.1090 0.000000 0.000000 
1 1 1   42    0   14 o   14.050   0.7531   14.050   0.7531   14.050   0.7531 0.000000 0.000000 
1 1 1   42    0   15 o   17.580   0.6141   17.580   0.6141   17.580   0.6141 0.000000 0.000000 
1 1 1   42    0   16 o   5.1530   2.0380   5.1530   2.0380   5.1530   2.0380 -0.000000 0.000000 
1 1 1   42    0   17 o   3.4380   2.1740   3.4380   2.1740   3.4380   2.1740 -0.000000 0.000000 
1 1 1   42    0   18 o   2.3660   1.6740   2.3660   1.6740   2.3660   1.6740 -0.000000 0.000000 
1 1 1   42    0   19 o   11.490   0.9896   11.490   0.9896   11.490   0.9896 0.000000 0.000000 
1 1 1   42    0   20 o   2.6240   1.7220   2.6240   1.7220   2.6240   1.7220 -0.000000 0.000000 
1 1 1   42    0   21 o   8.1880   1.6220   8.1880   1.6220   8.1880   1.6220 -0.000000 0.000000 
1 1 1   42    0   22 o   2.1830   1.5230   2.1830   1.5230   2.1830   1.5230 0.000000 0.000000 
1 1 1   42    0   23 o   2.3540   1.6300   2.3540   1.6300   2.3540   1.6300 -0.000000 0.000000 
1 1 1   42    0   24 o   1.8190   1.3210   1.8190   1.3210   1.8190   1.3210 0.000000 0.000000 
1 1 1   42    0   25 o   3.1120   2.0860   3.1120   2.0860   3.1120   2.0860 -0.000000 0.000000 
1 1 1   42    0   26 f   2.6640   1.8310   2.6640   1.8310   2.6640   1.8310 -0.000000 0.000000 
1 1 1   42    0   27 o   2.2570   1.5820   2.2570   1.5820   2.2570   1.5820 -0.000000 0.000000 
1 1 1   42    0   28 o   1.6050   1.1800   1.6050   1.1800   1.6050   1.1800 0.000000 0.000000 
1 1 1   42    2    0 o   18.220   0.4392   20.470   0.5268   15.980   0.7029 4.488000 0.8784000 
1 1 1   42    2    1 o   15.800   0.4781   16.100   0.6932   15.500   0.6586 0.6007000 0.9562000 
1 1 1   42    2    2 o   27.760   0.3604   28.470   0.5182   27.050   0.5011 1.422000 0.7209000 
1 1 1   42    2    3 o   23.080   0.3508   23.150   0.5023   23.010   0.4899 0.1446000 0.7016000 
1 1 1   42    2    4 o   16.830   0.5742   16.900   0.7612   16.770   0.8599 0.1277000 1.148000 
1 1 1   42    2    5 f   20.810   0.4246   20.110   0.6482   21.510   0.5487 -1.400000 0.8493000 
1 1 1   42    2    6 o   23.420   0.3689   23.180   0.5294   23.660   0.5139 -0.4800000 0.7378000 
1 1 1   42    2    7 o   32.850   0.3324   32.780   0.4701   32.910   0.4701 -0.1338000 0.6648000 
1 1 1   42    2    8 o   4.2940   1.1590   5.1600   1.7490   3.4290   1.5230 1.731000 2.319000 
1 1 1   42    2    9 o   18.340   0.4324   18.420   0.6156   18.260   0.6073 0.1620000 0.8647000 
1 1 1   42    2   10 o   6.6070   1.0500   8.4910   1.2440   4.7230   1.6920 3.768000 2.100000 
1 1 1   42    2   11 o   5.6120   1.0900   7.2660   1.4550   3.9570   1.6240 3.309000 2.180000 
1 1 1   42    2   12 o   7.6040   1.0840   9.1160   1.2220   6.0920   1.7920 3.023000 2.169000 
1 1 1   42    2   13 o   3.0290   1.0160   3.2000   1.4990   2.8570   1.3710 0.3437000 2.032000 
1 1 1   42    2   14 o   7.0050   1.0490   7.9670   1.3180   6.0430   1.6320 1.924000 2.097000 
1 1 1   42    2   15 o   13.470   0.5523   13.600   0.7620   13.340   0.7997 0.2622000 1.105000 
1 1 1   42    2   16 o   3.5060   1.0790   3.7530   1.5710   3.2590   1.4790 0.4938000 2.157000 
1 1 1   42    2   17 o   7.1710   1.2290   7.7930   1.6970   6.5490   1.7770 1.244000 2.457000 
1 1 1   42    2   18 o   8.5400   1.1320   9.8520   1.2450   7.2290   1.8910 2.624000 2.264000 
1 1 1   42    2   19 o   12.160   0.6568   12.190   0.9121   12.130   0.9452 0.5802000E-01 1.314000 
1 1 1   42    2   20 o   15.420   0.5432   16.070   0.7252   14.770   0.8090 1.300000 1.086000 
1 1 1   42    2   21 o   5.2100   1.2790   4.4730   1.7630   5.9460   1.8530 -1.473000 2.558000 
1 1 1   42    2   22 o   3.0760   1.0300   3.3280   1.5350   2.8250   1.3760 0.5037000 2.061000 
1 1 1   42    2   23 o   5.7190   1.3350   5.8920   1.8640   5.5460   1.9110 0.3457000 2.669000 
1 1 1   42    2   24 o   3.7270   1.1730   4.2760   1.7950   3.1780   1.5100 1.098000 2.345000 
1 1 1   42    2   25 o   3.6390   1.2250   3.0310   1.4850   4.2470   1.9490 -1.215000 2.450000 
1 1 1   42    2   26 o   4.4040   1.3120   3.2370   1.5620   5.5710   2.1080 -2.335000 2.623000 
1 1 1   42    2   27 o   2.5520   0.9038   2.6690   1.3210   2.4340   1.2340 0.2350000 1.808000 
1 1 1   42    2   28 o   2.6080   0.9174   2.4900   1.2450   2.7250   1.3470 -0.2350000 1.835000 
1 1 1   42    4    0 o   29.870   0.4146   28.550   0.4660   31.190   0.6859 -2.636000 0.8292000 
1 1 1   42    4    1 o   43.570   0.4172   43.170   0.4494   43.980   0.7030 -0.8132000 0.8344000 
1 1 1   42    4    2 o   14.770   0.6827   14.470   0.6688   15.070   1.1900 -0.5998000 1.365000 
1 1 1   42    4    3 o   38.820   0.4161   39.340   0.4540   38.310   0.6975 1.030000 0.8323000 
1 1 1   42    4    4 o   22.870   0.5028   23.130   0.5008   22.610   0.8721 0.5208000 1.006000 
1 1 1   42    4    5 o   16.860   0.6854   17.450   0.7327   16.280   1.1590 1.166000 1.371000 
1 1 1   42    4    6 o   16.780   0.6415   16.260   0.6652   17.300   1.0970 -1.047000 1.283000 
1 1 1   42    4    7 o   18.880   0.5684   17.640   0.6208   20.120   0.9524 -2.481000 1.137000 
1 1 1   42    4    8 f   30.100   0.4330   29.340   0.4627   30.870   0.7319 -1.530000 0.8659000 
1 1 1   42    4    9 o   19.910   0.5569   20.330   0.5584   19.490   0.9637 0.8402000 1.114000 
1 1 1   42    4   10 o   17.630   0.6293   18.150   0.6330   17.110   1.0880 1.039000 1.259000 
1 1 1   42    4   11 o   23.840   0.4996   24.150   0.5305   23.540   0.8467 0.6059000 0.9992000 
1 1 1   42    4   12 o   21.100   0.4787   21.620   0.6023   20.580   0.7442 1.044000 0.9574000 
1 1 1   42    4   13 o   7.4260   1.1690   6.7080   1.7630   8.1450   1.5350 -1.438000 2.338000 
1 1 1   42    4   14 o   3.1780   1.0400   2.9050   1.3980   3.4500   1.5420 -0.5446000 2.081000 
1 1 1   42    4   15 o   3.7500   1.1160   3.7460   1.5630   3.7540   1.5930 -0.7481000E-02 2.232000 
1 1 1   42    4   16 o   9.6990   0.9336   11.000   1.1360   8.3970   1.4820 2.604000 1.867000 
1 1 1   42    4   17 o   6.7380   1.1240   7.2270   1.4520   6.2500   1.7160 0.9767000 2.248000 
1 1 1   42    4   18 o   6.2710   1.2710   7.2920   1.6180   5.2500   1.9610 2.041000 2.543000 
1 1 1   42    4   19 o   9.6350   0.8558   9.9840   1.1300   9.2870   1.2850 0.6973000 1.712000 
1 1 1   42    4   20 o   3.8570   1.1660   3.7200   1.6030   3.9940   1.6950 -0.2733000 2.333000 
1 1 1   42    4   21 o   4.5970   1.2510   4.8340   1.7690   4.3600   1.7700 0.4736000 2.502000 
1 1 1   42    4   22 o   3.2640   1.0800   2.9350   1.4080   3.5930   1.6390 -0.6581000 2.160000 
1 1 1   42    4   23 o   5.1390   1.3230   4.1620   1.7560   6.1160   1.9780 -1.954000 2.645000 
1 1 1   42    4   24 o   5.3120   1.4170   5.1550   1.9680   5.4690   2.0390 -0.3133000 2.833000 
1 1 1   42    4   25 o   3.8530   1.2630   4.1840   1.8480   3.5230   1.7240 0.6613000 2.527000 
1 1 1   42    4   26 o   3.5840   1.2200   3.4410   1.6410   3.7280   1.8070 -0.2867000 2.441000 
1 1 1   42    4   27 o   2.8670   0.9957   3.0550   1.4710   2.6790   1.3420 0.3761000 1.991000 
1 1 1   42    4   28 o   2.9430   1.0260   2.5410   1.2710   3.3440   1.6100 -0.8035000 2.052000 
1 1 1   42    6    0 o   59.800   0.4654   59.380   0.6497   60.220   0.6665 -0.8362000 0.9308000 
1 1 1   42    6    1 o   36.680   0.3009   35.920   0.4129   37.450   0.4378 -1.526000 0.6018000 
1 1 1   42    6    2 o   9.8070   0.6542   9.4160   0.9458   10.200   0.9041 -0.7824000 1.308000 
1 1 1   42    6    3 o   18.240   0.3947   17.880   0.5549   18.600   0.5614 -0.7183000 0.7894000 
1 1 1   42    6    4 o   32.690   0.3189   32.220   0.4451   33.160   0.4568 -0.9348000 0.6377000 
1 1 1   42    6    5 o   19.070   0.5176   18.930   0.6776   19.210   0.7826 -0.2758000 1.035000 
1 1 1   42    6    6 o   16.850   0.4558   16.840   0.6291   16.870   0.6596 -0.2619000E-01 0.9115000 
1 1 1   42    6    7 o   10.560   0.6987   10.630   0.9746   10.480   1.0020 0.1454000 1.397000 
1 1 1   42    6    8 o   21.720   0.3778   22.060   0.5215   21.370   0.5467 0.6878000 0.7556000 
1 1 1   42    6    9 o   8.0490   1.0220   8.0380   1.3750   8.0610   1.5120 -0.2308000E-01 2.044000 
1 1 1   42    6   10 o   11.270   0.7741   11.350   0.9398   11.190   1.2300 0.1554000 1.548000 
1 1 1   42    6   11 o   17.330   0.4775   17.320   0.6063   17.340   0.7380 -0.1604000E-01 0.9551000 
1 1 1   42    6   12 o   6.5460   1.3460   6.7320   1.4870   6.3600   2.2430 0.3721000 2.691000 
1 1 1   42    6   13 o   4.0110   1.2720   2.8490   1.3780   5.1730   2.1380 -2.324000 2.543000 
1 1 1   42    6   14 f   8.3620   1.2980   7.1480   1.7420   9.5760   1.9240 -2.428000 2.595000 
1 1 1   42    6   15 o   4.8190   1.4910   3.0890   1.4610   6.5490   2.5990 -3.461000 2.982000 
1 1 1   42    6   16 o   4.3140   1.2690   4.4000   1.6640   4.2270   1.9170 0.1734000 2.538000 
1 1 1   42    6   17 f   5.2980   1.3780   3.8310   1.5860   6.7650   2.2550 -2.934000 2.757000 
1 1 1   42    6   18 o   3.8290   1.2240   3.9860   1.7050   3.6710   1.7570 0.3151000 2.449000 
1 1 1   42    6   19 o   5.3110   1.4220   4.7890   1.7570   5.8330   2.2360 -1.044000 2.844000 
1 1 1   42    6   20 o   4.5290   1.3660   3.6380   1.6000   5.4190   2.2150 -1.781000 2.733000 
1 1 1   42    6   21 o   3.1760   1.0880   3.0370   1.4360   3.3140   1.6340 -0.2773000 2.175000 
1 1 1   42    6   22 o   4.7490   1.3750   5.0320   1.8420   4.4660   2.0420 0.5665000 2.750000 
1 1 1   42    6   23 o   6.4440   1.5800   5.9970   1.9710   6.8910   2.4690 -0.8946000 3.160000 
1 1 1   42    6   24 o   4.1190   1.3610   4.1260   1.8310   4.1120   2.0150 0.1410000E-01 2.722000 
1 1 1   42    6   25 o   3.6990   1.2100   3.1680   1.5080   4.2310   1.8930 -1.063000 2.420000 
1 1 1   42    6   26 o   3.8850   1.2520   4.5090   1.9440   3.2610   1.5770 1.248000 2.503000 
1 1 1   42    6   27 o   2.6280   0.9331   2.3840   1.2030   2.8730   1.4270 -0.4887000 1.866000 
1 1 1   42    6   28 o   2.2260   0.8080   2.1990   1.1250   2.2520   1.1600 -0.5321000E-01 1.616000 
1 1 1   42    8    0 o   20.510   0.4361   20.610   0.5904   20.410   0.6420 0.1993000 0.8722000 
1 1 1   42    8    1 o   26.480   0.3038   26.400   0.4105   26.560   0.4478 -0.1605000 0.6075000 
1 1 1   42    8    2 f   10.660   0.5960   9.9660   0.8403   11.350   0.8454 -1.385000 1.192000 
1 1 1   42    8    3 f   26.240   0.3232   26.350   0.4347   26.130   0.4784 0.2200000 0.6463000 
1 1 1   42    8    4 o   28.120   0.3985   28.090   0.5291   28.150   0.5961 -0.5604000E-01 0.7971000 
1 1 1   42    8    5 o   16.840   0.5651   16.510   0.7313   17.160   0.8618 -0.6567000 1.130000 
1 1 1   42    8    6 o   10.080   0.7189   9.4430   1.0590   10.720   0.9728 -1.281000 1.438000 
1 1 1   42    8    7 o   9.4370   0.8645   11.030   0.9351   7.8450   1.4540 3.184000 1.729000 
1 1 1   42    8    8 o   20.630   0.4120   20.610   0.5630   20.650   0.6017 -0.3410000E-01 0.8240000 
1 1 1   42    8    9 o   18.230   0.4195   18.400   0.5703   18.050   0.6153 0.3482000 0.8390000 
1 1 1   42    8   10 o   10.810   0.6639   10.220   0.9776   11.400   0.8984 -1.180000 1.328000 
1 1 1   42    8   11 o   19.550   0.4030   19.490   0.5553   19.620   0.5841 -0.1295000 0.8059000 
1 1 1   42    8   12 o   9.4200   0.7903   8.9220   1.1450   9.9190   1.0890 -0.9967000 1.581000 
1 1 1   42    8   13 o   10.960   0.8589   10.360   1.2820   11.560   1.1430 -1.201000 1.718000 
1 1 1   42    8   14 o   7.9530   1.1150   9.9210   1.2210   5.9850   1.8670 3.936000 2.231000 
1 1 1   42    8   15 o   3.5870   1.1050   3.4180   1.5040   3.7560   1.6190 -0.3377000 2.210000 
1 1 1   42    8   16 o   8.5650   0.9164   8.6380   1.2140   8.4910   1.3730 0.1470000 1.833000 
1 1 1   42    8   17 o   9.1100   0.8774   8.9290   1.2230   9.2900   1.2580 -0.3612000 1.755000 
1 1 1   42    8   18 o   4.6240   1.3220   4.0010   1.7050   5.2460   2.0200 -1.245000 2.643000 
1 1 1   42    8   19 o   5.1370   1.2800   4.7970   1.7640   5.4770   1.8540 -0.6797000 2.560000 
1 1 1   42    8   20 o   3.6520   1.1430   3.0830   1.4520   4.2210   1.7660 -1.138000 2.287000 
1 1 1   42    8   21 o   4.7380   1.1350   2.5710   1.2690   6.9050   1.8810 -4.333000 2.269000 
1 1 1   42    8   22 o   3.8870   1.2040   4.2380   1.7710   3.5370   1.6310 0.7011000 2.408000 
1 1 1   42    8   23 f   3.6380   1.1940   4.0250   1.8010   3.2510   1.5680 0.7735000 2.388000 
1 1 1   42    8   24 o   5.3790   1.2000   7.4300   1.8140   3.3280   1.5710 4.102000 2.400000 
1 1 1   42    8   25 o   3.6140   1.1950   3.5920   1.6830   3.6370   1.6980 -0.4490000E-01 2.390000 
1 1 1   42    8   26 o   3.2390   1.1040   2.8070   1.3990   3.6700   1.7080 -0.8633000 2.208000 
1 1 1   42    8   27 o   2.2030   0.7972   2.1600   1.1070   2.2460   1.1470 -0.8632000E-01 1.594000 
1 1 1   42   10    0 o   11.500   0.5910   11.630   0.6918   11.370   0.9584 0.2622000 1.182000 
1 1 1   42   10    1 o   13.120   0.4801   12.810   0.6558   13.430   0.7013 -0.6250000 0.9601000 
1 1 1   42   10    2 o   22.880   0.3313   22.720   0.4477   23.030   0.4886 -0.3199000 0.6627000 
1 1 1   42   10    3 o   12.680   0.5270   12.370   0.7475   13.000   0.7431 -0.6361000 1.054000 
1 1 1   42   10    4 o   20.150   0.4983   19.320   0.6524   20.980   0.7532 -1.657000 0.9965000 
1 1 1   42   10    5 f   16.050   0.4662   15.490   0.6450   16.600   0.6733 -1.103000 0.9324000 
1 1 1   42   10    6 o   8.7650   0.7935   8.5300   1.1190   9.0000   1.1260 -0.4704000 1.587000 
1 1 1   42   10    7 o   17.300   0.4299   17.470   0.5811   17.130   0.6337 0.3423000 0.8598000 
1 1 1   42   10    8 o   3.3790   1.0500   3.3450   1.4640   3.4140   1.5040 -0.6972000E-01 2.099000 
1 1 1   42   10    9 o   7.9670   0.9250   8.7410   1.1200   7.1940   1.4730 1.547000 1.850000 
1 1 1   42   10   10 f   5.9360   1.0910   4.6510   1.6260   7.2210   1.4540 -2.570000 2.182000 
1 1 1   42   10   11 o   7.4090   1.0190   7.8110   1.3360   7.0070   1.5390 0.8036000 2.038000 
1 1 1   42   10   12 f   8.6520   1.1050   8.0040   1.5450   9.3010   1.5800 -1.297000 2.210000 
1 1 1   42   10   13 o   4.6290   1.3220   4.5900   1.8470   4.6690   1.8920 -0.7900000E-01 2.644000 
1 1 1   42   10   14 o   7.6700   1.0190   7.1150   1.4800   8.2250   1.4000 -1.110000 2.037000 
1 1 1   42   10   15 o   4.5940   1.1810   3.6250   1.5690   5.5640   1.7640 -1.939000 2.361000 
1 1 1   42   10   16 o   6.2710   1.1340   4.5210   1.7120   8.0210   1.4900 -3.501000 2.269000 
1 1 1   42   10   17 o   7.1900   1.3140   7.9410   1.6030   6.4400   2.0820 1.501000 2.627000 
1 1 1   42   10   18 o   3.5160   1.1460   3.8320   1.6900   3.2000   1.5500 0.6321000 2.293000 
1 1 1   42   10   19 o   7.1820   1.1940   6.9640   1.6480   7.4000   1.7290 -0.4360000 2.388000 
1 1 1   42   10   20 o   4.3680   1.1530   5.8220   1.8230   2.9140   1.4130 2.908000 2.307000 
1 1 1   42   10   21 o   3.6060   1.1310   4.2470   1.7460   2.9640   1.4370 1.283000 2.261000 
1 1 1   42   10   22 o   3.8360   1.2100   2.7960   1.3810   4.8760   1.9870 -2.080000 2.420000 
1 1 1   42   10   23 f   4.2130   1.2690   4.2240   1.7850   4.2010   1.8060 0.2342000E-01 2.539000 
1 1 1   42   10   24 o   4.7000   1.3050   3.8280   1.6950   5.5730   1.9850 -1.745000 2.610000 
1 1 1   42   10   25 o   3.4680   1.1580   2.9200   1.4440   4.0160   1.8120 -1.096000 2.317000 
1 1 1   42   10   26 o   2.6750   0.9508   3.0250   1.4890   2.3250   1.1830 0.7000000 1.902000 
1 1 1   42   10   27 f   2.3450   0.8593   2.2850   1.1840   2.4040   1.2450 -0.1194000 1.719000 
1 1 1   42   12    0 o   34.270   0.3433   34.280   0.4796   34.250   0.4914 0.3171000E-01 0.6867000 
1 1 1   42   12    1 o   18.600   0.4014   18.780   0.5472   18.420   0.5873 0.3624000 0.8027000 
1 1 1   42   12    2 o   38.190   0.3787   36.860   0.5081   39.530   0.5617 -2.671000 0.7574000 
1 1 1   42   12    3 o   29.840   0.3704   30.030   0.4929   29.640   0.5529 0.3914000 0.7407000 
1 1 1   42   12    4 o   16.370   0.4220   15.860   0.5823   16.870   0.6110 -1.010000 0.8441000 
1 1 1   42   12    5 o   22.040   0.3518   22.080   0.4728   21.990   0.5210 0.9050000E-01 0.7035000 
1 1 1   42   12    6 o   5.9700   1.0500   7.5790   1.2940   4.3610   1.6550 3.218000 2.101000 
1 1 1   42   12    7 o   4.8440   1.1580   5.0710   1.6020   4.6170   1.6720 0.4535000 2.316000 
1 1 1   42   12    8 o   12.730   0.5678   13.600   0.7260   11.860   0.8732 1.747000 1.136000 
1 1 1   42   12    9 o   12.740   0.6281   13.650   0.8165   11.820   0.9547 1.837000 1.256000 
1 1 1   42   12   10 o   15.550   0.5335   15.520   0.7455   15.580   0.7634 -0.6574000E-01 1.067000 
1 1 1   42   12   11 o   16.570   0.4776   16.290   0.6771   16.860   0.6738 -0.5718000 0.9553000 
1 1 1   42   12   12 o   3.2210   1.0710   3.0760   1.4700   3.3660   1.5570 -0.2905000 2.141000 
1 1 1   42   12   13 o   4.0950   1.1630   4.6390   1.7160   3.5510   1.5680 1.088000 2.325000 
1 1 1   42   12   14 o   5.4180   1.2490   5.3640   1.7320   5.4720   1.7990 -0.1075000 2.497000 
1 1 1   42   12   15 f   3.4210   1.0870   3.0740   1.4300   3.7680   1.6380 -0.6935000 2.175000 
1 1 1   42   12   16 o   3.4640   1.1030   3.0300   1.4200   3.8970   1.6880 -0.8661000 2.206000 
1 1 1   42   12   17 o   4.5610   1.2440   5.8460   1.9120   3.2750   1.5920 2.571000 2.489000 
1 1 1   42   12   18 o   7.1980   1.2950   6.4410   1.7770   7.9540   1.8860 -1.513000 2.591000 
1 1 1   42   12   19 o   7.2400   1.3650   7.6690   1.5870   6.8110   2.2200 0.8578000 2.729000 
1 1 1   42   12   20 o   3.6850   1.1890   4.1250   1.7730   3.2450   1.5840 0.8798000 2.378000 
1 1 1   42   12   21 o   4.7900   1.3890   3.7310   1.6980   5.8500   2.2000 -2.119000 2.779000 
1 1 1   42   12   22 o   4.3290   1.2830   5.1540   1.9320   3.5040   1.6880 1.650000 2.565000 
1 1 1   42   12   23 o   3.5510   1.1660   3.9450   1.7300   3.1570   1.5640 0.7881000 2.332000 
1 1 1   42   12   24 o   4.2380   1.3000   4.6570   1.8670   3.8180   1.8100 0.8385000 2.601000 
1 1 1   42   12   25 o   2.7890   1.0030   2.9960   1.5040   2.5810   1.3270 0.4147000 2.006000 
1 1 1   42   12   26 o   2.2570   0.8173   2.3810   1.2100   2.1340   1.0990 0.2468000 1.635000 
1 1 1   42   14    0 o   28.380   0.3692   27.980   0.4925   28.790   0.5502 -0.8085000 0.7384000 
1 1 1   42   14    1 o   11.670   0.6823   10.740   1.0120   12.590   0.9151 -1.851000 1.365000 
1 1 1   42   14    2 o   16.560   0.4152   16.430   0.5588   16.690   0.6143 -0.2626000 0.8304000 
1 1 1   42   14    3 f   5.3310   1.1130   4.6500   1.5600   6.0120   1.5870 -1.361000 2.225000 
1 1 1   42   14    4 o   24.050   0.3399   23.880   0.4632   24.220   0.4975 -0.3430000 0.6797000 
1 1 1   42   14    5 f   15.900   0.4675   16.880   0.5612   14.910   0.7478 1.966000 0.9350000 
1 1 1   42   14    6 o   4.1760   1.1580   3.4850   1.5060   4.8680   1.7590 -1.383000 2.315000 
1 1 1   42   14    7 o   17.020   0.4972   16.360   0.6518   17.690   0.7510 -1.330000 0.9944000 
1 1 1   42   14    8 o   23.190   0.4236   22.590   0.5644   23.800   0.6317 -1.213000 0.8471000 
1 1 1   42   14    9 o   9.5330   0.8442   8.6080   1.1510   10.460   1.2360 -1.851000 1.688000 
1 1 1   42   14   10 o   14.970   0.5576   14.520   0.7281   15.420   0.8448 -0.9015000 1.115000 
1 1 1   42   14   11 o   21.750   0.5931   21.920   0.6984   21.570   0.9588 0.3503000 1.186000 
1 1 1   42   14   12 o   8.5610   1.0570   8.0490   1.3300   9.0740   1.6430 -1.024000 2.114000 
1 1 1   42   14   13 o   5.1850   1.2750   5.7810   1.7060   4.5890   1.8960 1.191000 2.551000 
1 1 1   42   14   14 o   10.520   0.9073   10.750   1.0380   10.290   1.4890 0.4677000 1.815000 
1 1 1   42   14   15 o   6.9650   1.2860   7.1940   1.6190   6.7350   1.9980 0.4595000 2.572000 
1 1 1   42   14   16 o   4.0090   1.3320   3.1820   1.5100   4.8360   2.1930 -1.654000 2.663000 
1 1 1   42   14   17 f   4.5690   1.2900   3.0590   1.4490   6.0790   2.1340 -3.020000 2.580000 
1 1 1   42   14   18 o   10.310   1.0340   9.1890   1.3950   11.420   1.5270 -2.236000 2.068000 
1 1 1   42   14   19 o   5.8890   1.3010   7.8180   1.8470   3.9590   1.8330 3.859000 2.602000 
1 1 1   42   14   20 o   4.2750   1.3080   4.4830   1.8290   4.0660   1.8700 0.4173000 2.616000 
1 1 1   42   14   21 o   4.2300   1.3190   3.1390   1.4980   5.3200   2.1710 -2.181000 2.638000 
1 1 1   42   14   22 o   4.1930   1.2520   5.1190   1.9250   3.2680   1.6030 1.851000 2.505000 
1 1 1   42   14   23 o   3.3470   1.1210   2.8590   1.3980   3.8360   1.7530 -0.9771000 2.242000 
1 1 1   42   14   24 o   2.7470   0.9881   2.9550   1.4840   2.5390   1.3050 0.4164000 1.976000 
1 1 1   42   14   25 o   2.4140   0.8653   2.4720   1.2370   2.3560   1.2100 0.1165000 1.731000 
1 1 1   42   16    0 o   19.990   0.4216   19.830   0.5533   20.160   0.6362 -0.3352000 0.8431000 
1 1 1   42   16    1 o   17.130   0.4665   17.050   0.6105   17.200   0.7056 -0.1486000 0.9331000 
1 1 1   42   16    2 o   5.7400   1.1880   5.4820   1.6250   5.9990   1.7330 -0.5164000 2.376000 
1 1 1   42   16    3 o   6.9240   1.0780   5.7610   1.6370   8.0880   1.4030 -2.327000 2.156000 
1 1 1   42   16    4 o   11.670   0.6656   10.940   0.9279   12.390   0.9545 -1.451000 1.331000 
1 1 1   42   16    5 o   3.8830   1.1550   3.4320   1.4720   4.3340   1.7810 -0.9027000 2.311000 
1 1 1   42   16    6 o   5.4700   1.2230   5.8460   1.5710   5.0940   1.8740 0.7518000 2.446000 
1 1 1   42   16    7 o   10.650   0.7599   11.530   0.8372   9.7680   1.2680 1.760000 1.520000 
1 1 1   42   16    8 o   16.990   0.4641   17.410   0.5987   16.570   0.7092 0.8406000 0.9281000 
1 1 1   42   16    9 o   13.810   0.6446   13.450   0.8170   14.170   0.9971 -0.7194000 1.289000 
1 1 1   42   16   10 o   15.030   0.7022   15.570   0.9550   14.500   1.0300 1.069000 1.404000 
1 1 1   42   16   11 o   14.870   0.5570   14.720   0.7543   15.020   0.8197 -0.2978000 1.114000 
1 1 1   42   16   12 o   5.5430   1.1470   3.6600   1.5830   7.4260   1.6600 -3.766000 2.294000 
1 1 1   42   16   13 o   2.8730   0.9774   2.5820   1.2660   3.1640   1.4890 -0.5812000 1.955000 
1 1 1   42   16   14 o   3.4920   1.1190   3.4320   1.5570   3.5510   1.6090 -0.1191000 2.239000 
1 1 1   42   16   15 f   5.1420   1.3820   5.7940   1.9900   4.4900   1.9170 1.304000 2.763000 
1 1 1   42   16   16 o   6.7780   1.2210   8.3350   1.5270   5.2210   1.9060 3.115000 2.442000 
1 1 1   42   16   17 o   6.6380   1.3000   8.3770   1.6790   4.8990   1.9840 3.479000 2.599000 
1 1 1   42   16   18 o   6.2130   1.4390   6.4170   1.9860   6.0090   2.0820 0.4087000 2.877000 
1 1 1   42   16   19 o   3.5100   1.1500   3.6240   1.6570   3.3960   1.5970 0.2276000 2.301000 
1 1 1   42   16   20 o   3.9080   1.2210   4.2310   1.7950   3.5840   1.6550 0.6463000 2.441000 
1 1 1   42   16   21 o   2.9820   1.0220   3.0490   1.4680   2.9140   1.4220 0.1348000 2.044000 
1 1 1   42   16   22 o   2.4930   0.8928   2.3580   1.2000   2.6270   1.3220 -0.2694000 1.786000 
1 1 1   42   16   23 o   2.9810   1.0570   2.7790   1.4040   3.1840   1.5800 -0.4046000 2.114000 
1 1 1   42   16   24 o   1.8910   0.9851  ?   ?    1.8910   0.9851      ?      ? 
1 1 1   42   18    0 o   7.2360   1.0060   7.1470   1.3350   7.3240   1.5050 -0.1765000 2.012000 
1 1 1   42   18    1 o   6.9730   0.9924   6.6770   1.3770   7.2700   1.4300 -0.5928000 1.985000 
1 1 1   42   18    2 o   13.260   0.5295   13.230   0.7177   13.280   0.7788 -0.4697000E-01 1.059000 
1 1 1   42   18    3 o   13.790   0.5305   13.360   0.7263   14.220   0.7733 -0.8651000 1.061000 
1 1 1   42   18    4 o   15.480   0.5000   14.850   0.6965   16.110   0.7176 -1.259000 1.000000 
1 1 1   42   18    5 o   14.030   0.5474   14.200   0.7121   13.870   0.8316 0.3322000 1.095000 
1 1 1   42   18    6 o   3.7950   1.1350   3.9440   1.6050   3.6460   1.6070 0.2979000 2.271000 
1 1 1   42   18    7 o   2.7410   0.9343   2.5800   1.2500   2.9020   1.3890 -0.3226000 1.869000 
1 1 1   42   18    8 o   11.510   0.8956   11.380   1.2520   11.640   1.2810 -0.2685000 1.791000 
1 1 1   42   18    9 o   11.130   0.8564   10.770   1.3200   11.490   1.0910 -0.7229000 1.713000 
1 1 1   42   18   10 o   10.240   0.8257   11.040   1.0140   9.4390   1.3030 1.603000 1.651000 
1 1 1   42   18   11 o   4.4360   1.1940   5.3270   1.7720   3.5450   1.6000 1.783000 2.388000 
1 1 1   42   18   12 o   3.9020   1.1680   4.4940   1.7540   3.3100   1.5430 1.185000 2.336000 
1 1 1   42   18   13 o   5.6560   1.3180   5.3730   1.8320   5.9400   1.8950 -0.5671000 2.636000 
1 1 1   42   18   14 o   3.5640   1.1790   3.6070   1.6630   3.5210   1.6730 0.8588000E-01 2.359000 
1 1 1   42   18   15 o   5.7940   1.4090   5.1000   1.9290   6.4880   2.0550 -1.388000 2.819000 
1 1 1   42   18   16 o   7.3500   1.2590   8.5160   1.5540   6.1840   1.9800 2.332000 2.517000 
1 1 1   42   18   17 o   3.6400   1.1710   3.9170   1.7200   3.3620   1.5900 0.5554000 2.343000 
1 1 1   42   18   18 o   3.8240   1.1940   4.5540   1.8650   3.0940   1.4930 1.460000 2.389000 
1 1 1   42   18   19 o   4.2060   1.2020   5.5580   1.9540   2.8540   1.4000 2.704000 2.403000 
1 1 1   42   18   20 o   3.2520   1.0830   2.7960   1.3720   3.7080   1.6750 -0.9121000 2.166000 
1 1 1   42   18   21 o   3.3550   1.1310   2.9650   1.4560   3.7450   1.7310 -0.7805000 2.262000 
1 1 1   42   18   22 o   2.3040   0.8290   2.2730   1.1570   2.3360   1.1880 -0.6388000E-01 1.658000 
1 1 1   42   20    0 o   13.330   0.5635   12.560   0.8092   14.110   0.7846 -1.550000 1.127000 
1 1 1   42   20    1 o   15.890   0.4831   15.670   0.6566   16.120   0.7088 -0.4465000 0.9662000 
1 1 1   42   20    2 o   11.840   0.6469   10.910   0.9406   12.770   0.8882 -1.859000 1.294000 
1 1 1   42   20    3 o   9.7450   0.8124   10.630   0.9627   8.8630   1.3090 1.764000 1.625000 
1 1 1   42   20    4 o   7.0580   1.1090   7.0470   1.4920   7.0700   1.6410 -0.2324000E-01 2.218000 
1 1 1   42   20    5 o   6.9360   1.2870   6.9010   1.5950   6.9710   2.0190 -0.6990000E-01 2.573000 
1 1 1   42   20    6 o   4.7850   1.3580   4.6040   1.8500   4.9660   1.9890 -0.3625000 2.717000 
1 1 1   42   20    7 f   3.8470   1.2040   3.6880   1.6820   4.0050   1.7230 -0.3166000 2.408000 
1 1 1   42   20    8 o   6.4070   1.2320   5.4110   1.7690   7.4030   1.7160 -1.993000 2.465000 
1 1 1   42   20    9 o   8.2500   1.0430   8.8440   1.3130   7.6560   1.6220 1.188000 2.087000 
1 1 1   42   20   10 o   9.1400   0.9739   9.7780   1.2120   8.5020   1.5250 1.275000 1.948000 
1 1 1   42   20   11 o   4.0260   1.2340   3.9520   1.7290   4.1010   1.7630 -0.1490000 2.469000 
1 1 1   42   20   12 o   6.0600   1.5510   6.0470   2.1110   6.0730   2.2720 -0.2586000E-01 3.101000 
1 1 1   42   20   13 o   3.8330   1.2660   3.9850   1.8110   3.6810   1.7700 0.3045000 2.532000 
1 1 1   42   20   14 o   4.3030   1.2740   4.4940   1.8080   4.1110   1.7950 0.3828000 2.548000 
1 1 1   42   20   15 o   4.6330   1.3110   4.9190   1.8640   4.3460   1.8450 0.5734000 2.623000 
1 1 1   42   20   16 o   3.5310   1.1340   2.5920   1.2840   4.4700   1.8690 -1.878000 2.267000 
1 1 1   42   20   17 o   4.2000   1.2230   5.3260   1.9430   3.0740   1.4850 2.251000 2.446000 
1 1 1   42   20   18 o   3.9290   1.2450   4.1290   1.8260   3.7280   1.6920 0.4003000 2.489000 
1 1 1   42   20   19 o   2.8150   0.9882   2.8030   1.3890   2.8270   1.4060 -0.2345000E-01 1.976000 
1 1 1   42   20   20 o   3.1240   1.0520   3.1050   1.4800   3.1430   1.4970 -0.3851000E-01 2.105000 
1 1 1   42   22    0 o   9.9040   0.7950   9.9470   1.0880   9.8620   1.1590 0.8447000E-01 1.590000 
1 1 1   42   22    1 o   14.480   0.5669   15.090   0.7292   13.880   0.8682 1.211000 1.134000 
1 1 1   42   22    2 o   9.2890   1.0960   9.2800   1.4460   9.2980   1.6470 -0.1810000E-01 2.192000 
1 1 1   42   22    3 o   6.7610   1.1740   9.3990   1.4910   4.1220   1.8130 5.278000 2.347000 
1 1 1   42   22    4 o   6.1550   1.3130   5.6720   1.9680   6.6380   1.7400 -0.9658000 2.627000 
1 1 1   42   22    5 o   5.7560   1.1500   3.7770   1.6530   7.7350   1.5990 -3.959000 2.300000 
1 1 1   42   22    6 o   4.4700   1.2340   4.8150   1.7600   4.1240   1.7300 0.6904000 2.468000 
1 1 1   42   22    7 o   4.4670   1.2850   3.8760   1.7150   5.0570   1.9140 -1.181000 2.570000 
1 1 1   42   22    8 o   4.4230   1.3020   4.1710   1.7880   4.6740   1.8930 -0.5029000 2.604000 
1 1 1   42   22    9 o   3.3290   1.1070   3.7390   1.6890   2.9190   1.4300 0.8200000 2.213000 
1 1 1   42   22   10 o   6.0300   1.4270   6.3440   1.9490   5.7160   2.0850 0.6276000 2.854000 
1 1 1   42   22   11 o   4.4500   1.2950   5.1970   1.9380   3.7020   1.7190 1.495000 2.591000 
1 1 1   42   22   12 f   4.8300   1.3260   4.9590   1.8690   4.7010   1.8820 0.2573000 2.652000 
1 1 1   42   22   13 o   4.3230   1.2250   3.0800   1.4660   5.5660   1.9630 -2.486000 2.450000 
1 1 1   42   22   14 o   3.4730   1.1430   3.4090   1.6030   3.5370   1.6310 -0.1275000 2.287000 
1 1 1   42   22   15 o   3.9830   1.2100   4.6440   1.8450   3.3220   1.5670 1.322000 2.420000 
1 1 1   42   22   16 o   2.6540   0.9410   2.5800   1.2960   2.7280   1.3650 -0.1478000 1.882000 
1 1 1   42   22   17 o   3.4440   1.1520   3.3830   1.5980   3.5040   1.6600 -0.1218000 2.304000 
1 1 1   42   22   18 o   2.3860   0.8476   2.5090   1.2500   2.2630   1.1450 0.2458000 1.695000 
1 1 1   42   24    0 o   5.7010   1.3800   6.0430   1.9220   5.3600   1.9810 0.6835000 2.760000 
1 1 1   42   24    1 o   3.5320   1.1470   3.2380   1.5220   3.8270   1.7160 -0.5886000 2.294000 
1 1 1   42   24    2 o   8.8630   1.1280   8.9600   1.5370   8.7650   1.6520 0.1943000 2.256000 
1 1 1   42   24    3 o   7.1230   1.3330   6.8830   1.8800   7.3630   1.8920 -0.4804000 2.667000 
1 1 1   42   24    4 o   6.3060   1.2910   7.8110   1.7380   4.8020   1.9100 3.009000 2.583000 
1 1 1   42   24    5 o   3.1320   1.0450   3.2840   1.5250   2.9800   1.4300 0.3047000 2.090000 
1 1 1   42   24    6 o   8.6960   1.0460   7.8310   1.5730   9.5610   1.3790 -1.730000 2.092000 
1 1 1   42   24    7 o   3.5600   1.1400   3.0660   1.4550   4.0540   1.7550 -0.9876000 2.280000 
1 1 1   42   24    8 o   4.6510   1.3490   5.0500   1.9470   4.2520   1.8670 0.7974000 2.697000 
1 1 1   42   24    9 o   4.3990   1.3410   4.1470   1.8190   4.6500   1.9710 -0.5032000 2.682000 
1 1 1   42   24   10 o   10.410   0.9644   11.710   1.1470   9.1040   1.5510 2.610000 1.929000 
1 1 1   42   24   11 o   4.2070   1.2600   4.6430   1.8560   3.7710   1.7040 0.8717000 2.520000 
1 1 1   42   24   12 o   3.2940   1.0980   3.2520   1.5360   3.3370   1.5710 -0.8456000E-01 2.197000 
1 1 1   42   24   13 o   3.8810   1.2440   4.3860   1.8900   3.3760   1.6170 1.010000 2.488000 
1 1 1   42   24   14 o   3.1800   1.0890   3.2770   1.5700   3.0830   1.5080 0.1941000 2.177000 
1 1 1   42   24   15 o   2.2280   0.7991   2.1830   1.1080   2.2730   1.1520 -0.9022000E-01 1.598000 
1 1 1   42   24   16 o   2.9020   1.0350   3.0750   1.5180   2.7300   1.4080 0.3454000 2.070000 
1 1 1   42   26    0 o   11.430   0.8144   12.450   0.9844   10.410   1.2980 2.045000 1.629000 
1 1 1   42   26    1 o   7.1550   1.1990   8.7160   1.4230   5.5940   1.9310 3.122000 2.399000 
1 1 1   42   26    2 o   5.8330   1.3100   4.6650   1.8230   7.0010   1.8810 -2.336000 2.619000 
1 1 1   42   26    3 o   9.0460   1.0640   9.9910   1.2820   8.1010   1.6990 1.890000 2.129000 
1 1 1   42   26    4 o   8.1730   1.3140   8.4680   1.7660   7.8780   1.9460 0.5897000 2.628000 
1 1 1   42   26    5 o   8.6730   1.2450   10.780   1.3730   6.5630   2.0780 4.220000 2.491000 
1 1 1   42   26    6 o   3.2310   1.0800   2.9080   1.4250   3.5540   1.6230 -0.6461000 2.160000 
1 1 1   42   26    7 f   4.0250   1.2250   3.8530   1.6780   4.1970   1.7840 -0.3438000 2.449000 
1 1 1   42   26    8 o   3.2410   1.0910   3.4060   1.5910   3.0750   1.4930 0.3310000 2.182000 
1 1 1   42   26    9 o   4.2560   1.2900   4.7430   1.9190   3.7700   1.7230 0.9727000 2.579000 
1 1 1   42   26   10 o   3.1830   1.0790   3.4860   1.6240   2.8810   1.4210 0.6051000 2.158000 
1 1 1   42   26   11 o   2.9990   1.0180   2.9480   1.4140   3.0490   1.4640 -0.1011000 2.035000 
1 1 1   42   26   12 o   2.3860   0.8463   2.3260   1.1680   2.4450   1.2250 -0.1181000 1.693000 
1 1 1   42   26   13 o   2.2740   0.8345   2.3080   1.1970   2.2400   1.1640 0.6799000E-01 1.669000 
1 1 1   42   28    0 o   5.8670   1.5370   6.4960   2.1840   5.2390   2.1640 1.256000 3.075000 
1 1 1   42   28    1 o   3.5820   1.2390   3.2720   1.5980   3.8930   1.8940 -0.6215000 2.478000 
1 1 1   42   28    2 o   4.1020   1.2410   5.0700   1.9670   3.1340   1.5130 1.936000 2.482000 
1 1 1   42   28    3 o   3.3580   1.1210   3.5610   1.6500   3.1560   1.5190 0.4053000 2.243000 
1 1 1   42   28    4 o   3.0880   1.0530   2.8000   1.3790   3.3760   1.5930 -0.5762000 2.107000 
1 1 1   42   28    5 o   2.5340   0.8979   2.8410   1.3920   2.2260   1.1340 0.6148000 1.796000 
1 1 1   42   28    6 o   2.8540   0.9766   2.9850   1.4240   2.7230   1.3370 0.2619000 1.953000 
1 1 1   42   28    7 o   2.8420   0.9651   3.3660   1.5370   2.3180   1.1670 1.047000 1.930000 
1 1 1   42   28    8 o   2.2920   0.8144   2.3820   1.1890   2.2020   1.1130 0.1801000 1.629000 
1 1 1   42   30    0 o   2.0850   1.0800   2.0850   1.0800  ?   ?       ?      ? 
1 1 1   43    1    0 o   47.700   0.4212   47.390   0.4739   48.000   0.6966 -0.6160000 0.8425000 
1 1 1   43    1    1 o   53.420   0.3994   53.330   0.5228   53.500   0.6040 -0.1770000 0.7988000 
1 1 1   43    1    2 o   32.190   0.4021   33.370   0.5229   31.000   0.6109 2.370000 0.8041000 
1 1 1   43    1    3 o   18.660   0.5216   18.620   0.7005   18.690   0.7730 -0.7082000E-01 1.043000 
1 1 1   43    1    4 o   25.950   0.4157   25.760   0.5662   26.150   0.6089 -0.3892000 0.8315000 
1 1 1   43    1    5 o   28.370   0.3328   28.780   0.4688   27.970   0.4724 0.8116000 0.6655000 
1 1 1   43    1    6 o   44.060   0.3458   43.860   0.4892   44.270   0.4890 -0.4127000 0.6917000 
1 1 1   43    1    7 o   42.700   0.3417   42.830   0.4816   42.580   0.4849 0.2503000 0.6834000 
1 1 1   43    1    8 f   18.460   0.4365   18.390   0.6235   18.520   0.6109 -0.1284000 0.8729000 
1 1 1   43    1    9 o   17.190   0.4540   17.300   0.6433   17.080   0.6407 0.2144000 0.9079000 
1 1 1   43    1   10 o   6.9980   1.0480   6.7720   1.5090   7.2240   1.4550 -0.4517000 2.096000 
1 1 1   43    1   11 o   13.490   0.5578   13.450   0.7957   13.530   0.7820 -0.8654000E-01 1.116000 
1 1 1   43    1   12 o   15.690   0.5664   15.460   0.7429   15.920   0.8552 -0.4622000 1.133000 
1 1 1   43    1   13 o   4.0420   1.1860   3.9310   1.6660   4.1520   1.6880 -0.2208000 2.371000 
1 1 1   43    1   14 o   3.8550   1.1210   3.5360   1.5270   4.1740   1.6420 -0.6375000 2.243000 
1 1 1   43    1   15 o   8.2510   0.9293   9.8320   1.0440   6.6690   1.5380 3.163000 1.859000 
1 1 1   43    1   16 o   3.5480   1.0860   3.4170   1.5070   3.6790   1.5630 -0.2620000 2.171000 
1 1 1   43    1   17 o   5.7780   1.3310   3.4660   1.6580   8.0900   2.0830 -4.624000 2.662000 
1 1 1   43    1   18 o   9.3710   1.0160   9.1800   1.3680   9.5620   1.5030 -0.3813000 2.032000 
1 1 1   43    1   19 o   4.5660   1.2290   4.7650   1.7580   4.3660   1.7200 0.3988000 2.459000 
1 1 1   43    1   20 o   7.1170   1.1360   8.3400   1.4350   5.8940   1.7610 2.446000 2.272000 
1 1 1   43    1   21 f   3.2790   1.0670   2.8060   1.3630   3.7520   1.6410 -0.9462000 2.134000 
1 1 1   43    1   22 f   6.0610   1.1460   3.8160   1.6790   8.3070   1.5600 -4.491000 2.292000 
1 1 1   43    1   23 o   3.9960   1.2040   3.2010   1.5180   4.7910   1.8680 -1.590000 2.407000 
1 1 1   43    1   24 o   3.5880   1.1590   3.9770   1.7510   3.2000   1.5190 0.7774000 2.318000 
1 1 1   43    1   25 o   3.2980   1.1430   3.3230   1.6260   3.2720   1.6070 0.5048000E-01 2.286000 
1 1 1   43    1   26 o   3.2160   1.0810   2.9800   1.4470   3.4530   1.6070 -0.4728000 2.163000 
1 1 1   43    1   27 o   3.7000   1.1810   4.0180   1.7560   3.3820   1.5810 0.6366000 2.363000 
1 1 1   43    1   28 f   2.2260   0.7992   2.1550   1.0970   2.2970   1.1630 -0.1421000 1.598000 
1 1 1   43    3    0 o   29.640   0.5688   29.640   0.5688  ?   ?       ?      ? 
1 1 1   43    3    1 o   54.120   0.4884   54.390   0.6005   53.860   0.7704 0.5291000 0.9768000 
1 1 1   43    3    2 o   13.290   0.7399   13.130   0.7724   13.450   1.2620 -0.3164000 1.480000 
1 1 1   43    3    3 o   15.450   0.6542   14.860   0.6955   16.030   1.1080 -1.177000 1.308000 
1 1 1   43    3    4 o   26.210   0.5382   24.990   0.7710   27.440   0.7512 -2.442000 1.076000 
1 1 1   43    3    5 o   40.750   0.4491   40.750   0.5492   40.760   0.7108 -0.8881000E-02 0.8983000 
1 1 1   43    3    6 o   48.080   0.4491   48.410   0.5074   47.750   0.7410 0.6596000 0.8981000 
1 1 1   43    3    7 o   25.770   0.4688   26.450   0.4906   25.090   0.7990 1.360000 0.9376000 
1 1 1   43    3    8 o   9.6820   1.0930   9.9970   1.0390   9.3680   1.9240 0.6289000 2.187000 
1 1 1   43    3    9 o   22.740   0.4957   23.110   0.5131   22.380   0.8482 0.7310000 0.9913000 
1 1 1   43    3   10 o   21.930   0.5022   22.030   0.5415   21.820   0.8458 0.2165000 1.004000 
1 1 1   43    3   11 o   19.940   0.7080   19.860   0.6003   20.020   1.2820 -0.1560000 1.416000 
1 1 1   43    3   12 o   15.150   0.6853   15.290   0.6842   15.020   1.1880 0.2703000 1.371000 
1 1 1   43    3   13 o   21.260   0.5268   20.620   0.6236   21.900   0.8492 -1.289000 1.054000 
1 1 1   43    3   14 o   13.440   0.6730   13.510   0.7806   13.360   1.0960 0.1474000 1.346000 
1 1 1   43    3   15 o   4.4840   1.2620   4.0680   1.6260   4.9010   1.9300 -0.8329000 2.524000 
1 1 1   43    3   16 o   3.9150   1.2470   3.7960   1.6690   4.0350   1.8520 -0.2392000 2.493000 
1 1 1   43    3   17 o   3.1860   1.0880   3.0790   1.4710   3.2920   1.6030 -0.2123000 2.176000 
1 1 1   43    3   18 o   6.9200   1.2830   7.9130   1.5840   5.9270   2.0180 1.986000 2.565000 
1 1 1   43    3   19 o   7.3180   1.2530   6.9870   1.5780   7.6500   1.9470 -0.6626000 2.507000 
1 1 1   43    3   20 o   4.1690   1.2510   3.3970   1.5400   4.9410   1.9720 -1.544000 2.502000 
1 1 1   43    3   21 o   8.0180   1.2340   6.5540   1.7470   9.4810   1.7420 -2.926000 2.467000 
1 1 1   43    3   22 o   2.7270   0.9593   2.5330   1.2550   2.9220   1.4510 -0.3892000 1.919000 
1 1 1   43    3   23 o   3.7040   1.2090   3.0500   1.4590   4.3580   1.9270 -1.309000 2.417000 
1 1 1   43    3   24 o   4.0980   1.2880   4.5770   1.9160   3.6180   1.7210 0.9588000 2.575000 
1 1 1   43    3   25 o   4.4210   1.4730   3.7380   1.7370   5.1030   2.3790 -1.365000 2.946000 
1 1 1   43    3   26 o   3.1020   1.0940   2.6560   1.3330   3.5490   1.7340 -0.8929000 2.187000 
1 1 1   43    3   27 o   2.8070   0.9885   2.7840   1.3670   2.8290   1.4290 -0.4586000E-01 1.977000 
1 1 1   43    3   28 o   2.6940   0.9631   2.4130   1.2150   2.9760   1.4950 -0.5626000 1.926000 
1 1 1   43    5    0 o   19.320   0.6435   18.770   0.8607   19.870   0.9569 -1.096000 1.287000 
1 1 1   43    5    1 o   15.750   0.3991   15.830   0.5457   15.670   0.5825 0.1601000 0.7982000 
1 1 1   43    5    2 o   21.880   0.3541   21.860   0.5141   21.900   0.4871 -0.3758000E-01 0.7083000 
1 1 1   43    5    3 o   17.090   0.4153   16.560   0.6033   17.620   0.5708 -1.064000 0.8305000 
1 1 1   43    5    4 o   24.070   0.3431   24.040   0.4806   24.110   0.4899 -0.7102000E-01 0.6863000 
1 1 1   43    5    5 o   37.480   0.3923   37.690   0.5408   37.270   0.5685 0.4227000 0.7846000 
1 1 1   43    5    6 o   14.310   0.5182   13.980   0.7413   14.630   0.7241 -0.6489000 1.036000 
1 1 1   43    5    7 o   21.390   0.3795   21.490   0.5263   21.280   0.5468 0.2101000 0.7590000 
1 1 1   43    5    8 o   30.160   0.3283   29.980   0.4583   30.330   0.4703 -0.3492000 0.6566000 
1 1 1   43    5    9 o   9.8830   0.7574   10.040   1.0630   9.7220   1.0790 0.3213000 1.515000 
1 1 1   43    5   10 o   6.2800   1.1000   4.3660   1.6780   8.1940   1.4240 -3.828000 2.201000 
1 1 1   43    5   11 o   3.2220   1.0270   3.3530   1.4810   3.0920   1.4250 0.2612000 2.055000 
1 1 1   43    5   12 o   14.010   0.5398   13.410   0.7695   14.610   0.7571 -1.205000 1.080000 
1 1 1   43    5   13 o   5.6230   1.2960   5.7030   1.8340   5.5420   1.8310 0.1609000 2.592000 
1 1 1   43    5   14 o   8.3720   0.9887   9.1320   1.1240   7.6120   1.6270 1.520000 1.977000 
1 1 1   43    5   15 o   3.9020   1.2120   3.9950   1.7100   3.8090   1.7190 0.1856000 2.425000 
1 1 1   43    5   16 f   5.1330   1.2170   3.1300   1.4790   7.1360   1.9320 -4.007000 2.433000 
1 1 1   43    5   17 o   5.9500   1.1480   7.4280   1.4110   4.4720   1.8120 2.956000 2.297000 
1 1 1   43    5   18 o   6.5460   1.4070   7.1380   1.7080   5.9550   2.2370 1.183000 2.814000 
1 1 1   43    5   19 o   5.0390   1.2880   5.4390   1.7830   4.6400   1.8590 0.7983000 2.576000 
1 1 1   43    5   20 o   3.0250   1.0290   2.7350   1.3270   3.3150   1.5740 -0.5808000 2.058000 
1 1 1   43    5   21 o   6.4340   1.3200   5.1610   1.8170   7.7070   1.9140 -2.546000 2.639000 
1 1 1   43    5   22 o   4.3130   1.2500   5.1500   1.8800   3.4770   1.6480 1.673000 2.500000 
1 1 1   43    5   23 o   3.7010   1.1960   2.9920   1.4430   4.4100   1.9080 -1.417000 2.393000 
1 1 1   43    5   24 o   5.7740   1.5280   5.6040   2.0640   5.9450   2.2550 -0.3409000 3.057000 
1 1 1   43    5   25 o   3.4980   1.1680   3.1930   1.5260   3.8020   1.7680 -0.6090000 2.335000 
1 1 1   43    5   26 o   3.8680   1.2520   3.5720   1.6890   4.1640   1.8480 -0.5923000 2.504000 
1 1 1   43    5   27 o   2.9820   1.0210   2.6780   1.3270   3.2850   1.5520 -0.6064000 2.042000 
1 1 1   43    5   28 o   1.9940   1.0370   1.9940   1.0370  ?   ?       ?      ? 
1 1 1   43    7    0 o   52.580   0.4300   52.350   0.5967   52.810   0.6194 -0.4693000 0.8600000 
1 1 1   43    7    1 o   23.920   0.4727   21.580   0.4333   26.270   0.8404 -4.690000 0.9455000 
1 1 1   43    7    2 o   5.2480   0.8941   2.8820   1.3080   7.6130   1.2200 -4.731000 1.788000 
1 1 1   43    7    3 o   5.0670   1.1410   4.5230   1.6330   5.6110   1.5930 -1.087000 2.281000 
1 1 1   43    7    4 o   20.400   0.3687   20.370   0.5146   20.420   0.5281 -0.5048000E-01 0.7374000 
1 1 1   43    7    5 o   24.510   0.4301   24.430   0.5700   24.590   0.6442 -0.1683000 0.8602000 
1 1 1   43    7    6 o   23.070   0.3576   22.640   0.5048   23.490   0.5067 -0.8573000 0.7153000 
1 1 1   43    7    7 o   17.750   0.4333   17.770   0.6077   17.730   0.6178 0.4186000E-01 0.8666000 
1 1 1   43    7    8 o   12.230   0.6267   12.450   0.8468   12.020   0.9242 0.4285000 1.253000 
1 1 1   43    7    9 o   8.2210   0.9596   9.5290   1.0440   6.9140   1.6100 2.615000 1.919000 
1 1 1   43    7   10 o   16.390   0.4510   16.530   0.6248   16.240   0.6505 0.2865000 0.9020000 
1 1 1   43    7   11 o   4.3670   1.1590   3.7860   1.5760   4.9480   1.6990 -1.162000 2.318000 
1 1 1   43    7   12 o   3.7380   1.1060   4.0160   1.6050   3.4610   1.5220 0.5559000 2.212000 
1 1 1   43    7   13 o   18.070   0.5179   17.430   0.7659   18.710   0.6974 -1.277000 1.036000 
1 1 1   43    7   14 o   4.5610   1.1560   3.0230   1.4410   6.0980   1.8080 -3.075000 2.312000 
1 1 1   43    7   15 o   2.9930   1.0060   2.5720   1.2750   3.4140   1.5560 -0.8420000 2.012000 
1 1 1   43    7   16 f   4.7310   1.1540   5.7610   1.6610   3.7010   1.6020 2.060000 2.307000 
1 1 1   43    7   17 o   5.9150   1.2120   6.2040   1.6450   5.6260   1.7800 0.5782000 2.424000 
1 1 1   43    7   18 o   14.700   0.6918   14.690   0.9000   14.710   1.0510 -0.2299000E-01 1.384000 
1 1 1   43    7   19 o   5.7920   1.2770   6.1760   1.7690   5.4090   1.8420 0.7668000 2.554000 
1 1 1   43    7   20 o   3.7630   1.1640   3.9040   1.6620   3.6230   1.6290 0.2806000 2.327000 
1 1 1   43    7   21 f   4.7260   1.2880   5.1630   1.8330   4.2880   1.8110 0.8746000 2.577000 
1 1 1   43    7   22 o   5.3300   1.3450   5.9160   1.9100   4.7450   1.8950 1.171000 2.691000 
1 1 1   43    7   23 o   3.5690   1.1780   3.2330   1.5490   3.9050   1.7750 -0.6724000 2.356000 
1 1 1   43    7   24 o   4.9350   1.2800   6.1030   1.9150   3.7670   1.6980 2.336000 2.559000 
1 1 1   43    7   25 o   4.5080   1.3690   4.4130   1.9100   4.6040   1.9620 -0.1903000 2.738000 
1 1 1   43    7   26 o   3.3010   1.1250   3.0670   1.5060   3.5350   1.6710 -0.4685000 2.249000 
1 1 1   43    7   27 o   2.5270   0.9020   2.5640   1.2950   2.4890   1.2560 0.7584000E-01 1.804000 
1 1 1   43    9    0 o   8.7470   0.8443   10.490   1.1180   7.0020   1.2660 3.490000 1.689000 
1 1 1   43    9    1 o   11.540   0.5237   11.590   0.6938   11.480   0.7846 0.1134000 1.047000 
1 1 1   43    9    2 o   12.330   0.5080   12.620   0.6574   12.040   0.7747 0.5816000 1.016000 
1 1 1   43    9    3 o   15.390   0.4317   16.070   0.5625   14.710   0.6552 1.361000 0.8635000 
1 1 1   43    9    4 o   3.6180   1.1200   3.8340   1.5940   3.4030   1.5740 0.4302000 2.240000 
1 1 1   43    9    5 o   23.640   0.4100   23.070   0.6084   24.200   0.5498 -1.137000 0.8200000 
1 1 1   43    9    6 o   15.510   0.4911   15.230   0.6778   15.780   0.7108 -0.5455000 0.9822000 
1 1 1   43    9    7 o   14.960   0.4831   14.580   0.6776   15.340   0.6887 -0.7517000 0.9662000 
1 1 1   43    9    8 o   15.250   0.4799   14.590   0.6892   15.900   0.6680 -1.308000 0.9598000 
1 1 1   43    9    9 o   22.550   0.3663   22.800   0.4996   22.290   0.5358 0.5161000 0.7325000 
1 1 1   43    9   10 o   12.350   0.5819   12.020   0.8238   12.690   0.8221 -0.6708000 1.164000 
1 1 1   43    9   11 o   20.430   0.4003   20.420   0.5552   20.430   0.5769 -0.1514000E-01 0.8007000 
1 1 1   43    9   12 o   9.6620   0.8857   9.7570   1.2390   9.5680   1.2660 0.1893000 1.771000 
1 1 1   43    9   13 o   8.4870   1.2730   6.0430   2.1780   10.930   1.3210 -4.888000 2.547000 
1 1 1   43    9   14 o   5.5660   1.2020   4.9410   1.7020   6.1910   1.6990 -1.250000 2.404000 
1 1 1   43    9   15 o   4.6040   1.2110   4.7420   1.6950   4.4650   1.7290 0.2768000 2.421000 
1 1 1   43    9   16 o   7.7540   1.0590   6.7070   1.6370   8.8010   1.3420 -2.095000 2.117000 
1 1 1   43    9   17 o   4.8610   1.3450   4.0460   1.7340   5.6760   2.0560 -1.630000 2.690000 
1 1 1   43    9   18 o   4.0620   1.2000   4.9880   1.8520   3.1360   1.5270 1.852000 2.401000 
1 1 1   43    9   19 f   6.6650   1.2510   6.7050   1.7030   6.6240   1.8330 0.8151000E-01 2.502000 
1 1 1   43    9   20 o   3.8670   1.1610   4.6670   1.7980   3.0680   1.4690 1.600000 2.322000 
1 1 1   43    9   21 o   5.6520   1.3000   6.7530   1.8160   4.5500   1.8610 2.203000 2.601000 
1 1 1   43    9   22 o   6.2370   1.4480   6.3770   2.0080   6.0980   2.0880 0.2794000 2.897000 
1 1 1   43    9   23 o   3.3980   1.1190   3.3860   1.5730   3.4110   1.5930 -0.2541000E-01 2.239000 
1 1 1   43    9   24 f   3.2100   1.0750   2.6700   1.3210   3.7510   1.6970 -1.081000 2.151000 
1 1 1   43    9   25 o   3.8190   1.2390   3.3330   1.5990   4.3050   1.8940 -0.9718000 2.479000 
1 1 1   43    9   26 o   2.7620   0.9610   2.7710   1.3630   2.7530   1.3560 0.1771000E-01 1.922000 
1 1 1   43    9   27 f   1.6960   0.6256   1.7400   0.9066   1.6530   0.8623 0.8655000E-01 1.251000 
1 1 1   43   11    0 o   7.1670   0.8923   6.9420   1.2350   7.3930   1.2880 -0.4508000 1.785000 
1 1 1   43   11    1 o   36.360   0.3497   36.170   0.4830   36.550   0.5060 -0.3842000 0.6995000 
1 1 1   43   11    2 o   23.460   0.3533   23.390   0.4849   23.540   0.5140 -0.1457000 0.7067000 
1 1 1   43   11    3 o   25.770   0.4336   24.880   0.5739   26.660   0.6502 -1.782000 0.8673000 
1 1 1   43   11    4 o   17.350   0.4867   18.000   0.5978   16.710   0.7682 1.284000 0.9734000 
1 1 1   43   11    5 o   11.480   0.5849   11.930   0.7405   11.020   0.9056 0.9145000 1.170000 
1 1 1   43   11    6 o   28.870   0.3240   28.730   0.4488   29.010   0.4674 -0.2709000 0.6480000 
1 1 1   43   11    7 o   13.470   0.5133   13.110   0.7196   13.840   0.7322 -0.7265000 1.027000 
1 1 1   43   11    8 o   10.780   0.6632   9.7090   0.9855   11.850   0.8879 -2.146000 1.326000 
1 1 1   43   11    9 o   8.1770   0.8728   7.3740   1.3160   8.9800   1.1460 -1.606000 1.746000 
1 1 1   43   11   10 o   4.4260   1.1300   5.6350   1.7140   3.2180   1.4740 2.417000 2.261000 
1 1 1   43   11   11 o   5.7930   1.1540   4.1700   1.7110   7.4170   1.5490 -3.247000 2.308000 
1 1 1   43   11   12 o   13.720   0.6882   13.400   1.0180   14.040   0.9268 -0.6354000 1.376000 
1 1 1   43   11   13 o   5.7410   1.2720   4.9850   1.9090   6.4980   1.6820 -1.512000 2.545000 
1 1 1   43   11   14 o   9.9130   0.8192   10.800   0.9953   9.0260   1.3020 1.773000 1.638000 
1 1 1   43   11   15 o   13.560   0.6020   14.260   0.7888   12.860   0.9097 1.400000 1.204000 
1 1 1   43   11   16 o   4.1690   1.2060   3.9460   1.6460   4.3920   1.7640 -0.4459000 2.412000 
1 1 1   43   11   17 o   4.9380   1.3870   4.7260   1.8630   5.1510   2.0550 -0.4246000 2.774000 
1 1 1   43   11   18 o   13.090   0.6919   13.490   0.9060   12.700   1.0460 0.7948000 1.384000 
1 1 1   43   11   19 o   7.2350   1.1920   8.7220   1.4060   5.7490   1.9250 2.973000 2.384000 
1 1 1   43   11   20 o   4.3310   1.2500   4.8510   1.8330   3.8110   1.6990 1.040000 2.500000 
1 1 1   43   11   21 o   4.8770   1.3750   4.5540   1.8760   5.2000   2.0100 -0.6460000 2.749000 
1 1 1   43   11   22 o   3.2010   1.0750   3.2710   1.5460   3.1310   1.4940 0.1401000 2.150000 
1 1 1   43   11   23 o   3.1570   1.0640   3.2340   1.5280   3.0800   1.4820 0.1536000 2.128000 
1 1 1   43   11   24 o   2.9200   1.0040   2.7380   1.3460   3.1020   1.4900 -0.3633000 2.008000 
1 1 1   43   11   25 o   2.6100   0.9269   2.4210   1.2260   2.7990   1.3910 -0.3775000 1.854000 
1 1 1   43   11   26 o   2.4780   0.8851   2.5030   1.2640   2.4530   1.2390 0.5010000E-01 1.770000 
1 1 1   43   13    0 o   19.380   0.3502   19.230   0.4833   19.530   0.5068 -0.2917000 0.7003000 
1 1 1   43   13    1 o   11.950   0.6221   12.110   0.7868   11.790   0.9639 0.3245000 1.244000 
1 1 1   43   13    2 o   8.6360   0.8811   7.9810   1.2160   9.2910   1.2760 -1.309000 1.762000 
1 1 1   43   13    3 o   18.210   0.3877   17.920   0.5250   18.510   0.5706 -0.5900000 0.7753000 
1 1 1   43   13    4 o   14.170   0.4735   14.730   0.6094   13.610   0.7249 1.122000 0.9470000 
1 1 1   43   13    5 f   12.810   0.5193   13.050   0.6775   12.580   0.7872 0.4663000 1.039000 
1 1 1   43   13    6 o   17.560   0.4069   17.460   0.5523   17.650   0.5978 -0.1918000 0.8139000 
1 1 1   43   13    7 o   25.220   0.3486   24.960   0.4780   25.470   0.5074 -0.5046000 0.6971000 
1 1 1   43   13    8 o   7.9380   1.0090   8.8660   1.2020   7.0100   1.6210 1.856000 2.018000 
1 1 1   43   13    9 o   14.260   0.5698   15.320   0.7405   13.210   0.8663 2.114000 1.140000 
1 1 1   43   13   10 o   16.880   0.4582   16.750   0.6390   17.010   0.6568 -0.2565000 0.9163000 
1 1 1   43   13   11 o   13.300   0.7225   13.230   1.0470   13.370   0.9957 -0.1436000 1.445000 
1 1 1   43   13   12 o   7.2360   1.2340   5.2900   1.9390   9.1810   1.5280 -3.890000 2.468000 
1 1 1   43   13   13 o   7.5150   1.0580   7.0420   1.4960   7.9880   1.4950 -0.9452000 2.116000 
1 1 1   43   13   14 o   6.0940   1.2320   5.6870   1.7290   6.5020   1.7540 -0.8154000 2.463000 
1 1 1   43   13   15 o   3.2970   1.0620   3.6640   1.5940   2.9310   1.4040 0.7331000 2.124000 
1 1 1   43   13   16 o   5.0500   1.2290   6.7070   1.8470   3.3920   1.6210 3.316000 2.457000 
1 1 1   43   13   17 f   5.1040   1.4090   4.6320   1.8830   5.5760   2.0980 -0.9440000 2.819000 
1 1 1   43   13   18 f   8.3390   1.1060   7.2030   1.6970   9.4760   1.4190 -2.273000 2.212000 
1 1 1   43   13   19 o   5.3580   1.3890   5.8330   1.9640   4.8830   1.9660 0.9493000 2.779000 
1 1 1   43   13   20 o   4.6260   1.3410   4.0730   1.7860   5.1800   2.0000 -1.106000 2.682000 
1 1 1   43   13   21 f   3.8950   1.2020   4.3500   1.7950   3.4400   1.6000 0.9105000 2.405000 
1 1 1   43   13   22 o   4.0350   1.2200   4.8550   1.8960   3.2150   1.5350 1.641000 2.439000 
1 1 1   43   13   23 o   3.7780   1.1880   3.1260   1.4970   4.4300   1.8440 -1.304000 2.375000 
1 1 1   43   13   24 o   2.5570   0.9238   2.3800   1.2220   2.7340   1.3860 -0.3545000 1.848000 
1 1 1   43   13   25 o   2.2080   0.8013   2.0650   1.0670   2.3520   1.1960 -0.2869000 1.603000 
1 1 1   43   15    0 o   19.730   0.4277   20.130   0.5541   19.330   0.6517 0.8047000 0.8554000 
1 1 1   43   15    1 o   5.3670   1.0980   4.8050   1.5480   5.9300   1.5570 -1.125000 2.196000 
1 1 1   43   15    2 o   4.1660   1.0870   3.3150   1.4290   5.0180   1.6390 -1.703000 2.174000 
1 1 1   43   15    3 o   6.8850   1.0270   5.9500   1.5520   7.8190   1.3460 -1.869000 2.054000 
1 1 1   43   15    4 f   13.650   0.5468   12.970   0.7952   14.330   0.7506 -1.360000 1.094000 
1 1 1   43   15    5 o   17.020   0.4585   17.180   0.6267   16.860   0.6693 0.3217000 0.9169000 
1 1 1   43   15    6 f   13.150   0.5868   13.110   0.7817   13.190   0.8755 -0.7895000E-01 1.174000 
1 1 1   43   15    7 o   3.7910   1.0840   4.2910   1.5780   3.2910   1.4860 1.000000 2.168000 
1 1 1   43   15    8 o   5.6450   1.2160   5.8600   1.6340   5.4290   1.8000 0.4314000 2.431000 
1 1 1   43   15    9 o   13.920   0.5993   13.710   0.7440   14.140   0.9397 -0.4345000 1.199000 
1 1 1   43   15   10 o   7.5910   1.4120   6.5060   1.9470   8.6760   2.0440 -2.170000 2.824000 
1 1 1   43   15   11 o   15.060   0.8065   14.690   0.9716   15.430   1.2870 -0.7355000 1.613000 
1 1 1   43   15   12 o   3.6180   1.1500   3.2870   1.4910   3.9490   1.7510 -0.6622000 2.300000 
1 1 1   43   15   13 o   4.8480   1.2970   3.7450   1.6190   5.9510   2.0270 -2.207000 2.594000 
1 1 1   43   15   14 o   3.3530   1.1110   2.8170   1.3580   3.8890   1.7580 -1.071000 2.222000 
1 1 1   43   15   15 o   3.3450   1.1610   2.8430   1.3700   3.8470   1.8750 -1.004000 2.322000 
1 1 1   43   15   16 o   5.3210   1.4590   6.1220   2.0100   4.5200   2.1150 1.602000 2.918000 
1 1 1   43   15   17 o   4.8910   1.3340   5.5660   1.8800   4.2150   1.8930 1.352000 2.668000 
1 1 1   43   15   18 o   7.1440   1.4020   8.4280   1.7380   5.8590   2.2000 2.570000 2.803000 
1 1 1   43   15   19 o   4.9050   1.4040   5.0290   1.9100   4.7810   2.0570 0.2477000 2.807000 
1 1 1   43   15   20 o   3.1780   1.5130   3.1780   1.5130  ?   ?       ?      ? 
1 1 1   43   15   21 f   4.8970   1.4070   5.0100   1.9080   4.7840   2.0670 0.2256000 2.813000 
1 1 1   43   15   22 o   2.5630   0.9207   2.1640   1.1010   2.9630   1.4760 -0.7989000 1.841000 
1 1 1   43   15   23 o   4.1840   1.3230   4.6950   1.9850   3.6740   1.7490 1.021000 2.645000 
1 1 1   43   15   24 o   2.5480   1.2800   2.5480   1.2800  ?   ?       ?      ? 
1 1 1   43   17    0 o   14.190   0.5392   14.140   0.7156   14.240   0.8068 -0.1008000 1.078000 
1 1 1   43   17    1 o   13.420   0.5592   14.090   0.6659   12.760   0.8985 1.334000 1.118000 
1 1 1   43   17    2 o   11.420   0.6494   11.170   0.8231   11.680   1.0050 -0.5040000 1.299000 
1 1 1   43   17    3 o   12.980   0.5899   13.230   0.7167   12.740   0.9371 0.4946000 1.180000 
1 1 1   43   17    4 o   4.0590   1.1240   4.6350   1.6080   3.4830   1.5700 1.152000 2.248000 
1 1 1   43   17    5 o   10.490   0.7656   9.8700   0.9702   11.110   1.1850 -1.243000 1.531000 
1 1 1   43   17    6 o   18.380   0.4855   18.440   0.5833   18.320   0.7763 0.1207000 0.9710000 
1 1 1   43   17    7 o   5.7810   1.2230   4.2180   1.6290   7.3450   1.8240 -3.127000 2.445000 
1 1 1   43   17    8 o   6.2280   1.1750   7.6250   1.3700   4.8320   1.9090 2.793000 2.350000 
1 1 1   43   17    9 o   4.2960   1.3480   3.2650   1.5490   5.3280   2.2060 -2.064000 2.696000 
1 1 1   43   17   10 o   11.420   0.8159   11.210   1.0350   11.620   1.2610 -0.4161000 1.632000 
1 1 1   43   17   11 f   3.4450   1.0980   2.5520   1.2510   4.3380   1.8040 -1.786000 2.195000 
1 1 1   43   17   12 o   4.1530   1.2190   3.8600   1.6530   4.4450   1.7920 -0.5846000 2.438000 
1 1 1   43   17   13 o   7.0740   1.1830   8.7500   1.4040   5.3990   1.9040 3.351000 2.366000 
1 1 1   43   17   14 o   4.6310   1.3480   3.9720   1.7600   5.2890   2.0430 -1.316000 2.696000 
1 1 1   43   17   15 o   5.0330   1.4490   5.0550   2.0350   5.0110   2.0630 0.4474000E-01 2.898000 
1 1 1   43   17   16 o   9.0240   1.1780   10.960   1.2870   7.0890   1.9740 3.871000 2.357000 
1 1 1   43   17   17 o   4.9550   1.3170   5.6190   1.8980   4.2910   1.8260 1.328000 2.634000 
1 1 1   43   17   18 o   3.8850   1.2110   4.2560   1.7870   3.5130   1.6360 0.7437000 2.423000 
1 1 1   43   17   19 o   2.7320   0.9548   2.7450   1.3520   2.7200   1.3480 0.2486000E-01 1.910000 
1 1 1   43   17   20 o   6.3670   1.3650   5.9370   1.9470   6.7980   1.9140 -0.8611000 2.731000 
1 1 1   43   17   21 o   3.4090   1.1480   3.6280   1.6950   3.1900   1.5490 0.4386000 2.296000 
1 1 1   43   17   22 o   2.1250   0.7716   2.2180   1.1350   2.0320   1.0460 0.1864000 1.543000 
1 1 1   43   19    0 o   6.7380   1.1110   7.8570   1.2390   5.6180   1.8450 2.239000 2.222000 
1 1 1   43   19    1 o   13.290   0.5944   12.890   0.7591   13.680   0.9150 -0.7948000 1.189000 
1 1 1   43   19    2 o   4.3140   1.1410   3.2870   1.4470   5.3400   1.7630 -2.053000 2.281000 
1 1 1   43   19    3 o   7.4690   1.0050   7.4900   1.3130   7.4490   1.5220 0.4103000E-01 2.010000 
1 1 1   43   19    4 o   11.950   0.6399   11.590   0.8771   12.310   0.9320 -0.7129000 1.280000 
1 1 1   43   19    5 o   8.5180   0.9399   8.0100   1.3180   9.0270   1.3400 -1.017000 1.880000 
1 1 1   43   19    6 o   8.1980   1.0040   6.9010   1.5340   9.4940   1.2960 -2.593000 2.009000 
1 1 1   43   19    7 o   4.5050   1.3370   4.3800   1.8440   4.6310   1.9350 -0.2514000 2.673000 
1 1 1   43   19    8 o   11.170   0.8934   10.040   1.4690   12.300   1.0160 -2.269000 1.787000 
1 1 1   43   19    9 o   3.3050   1.0650   2.6740   1.3000   3.9360   1.6880 -1.262000 2.130000 
1 1 1   43   19   10 o   2.8290   0.9665   2.2860   1.1440   3.3720   1.5580 -1.086000 1.933000 
1 1 1   43   19   11 o   5.2950   1.1970   7.1330   1.7930   3.4560   1.5870 3.678000 2.394000 
1 1 1   43   19   12 o   3.7920   1.1770   3.1510   1.4890   4.4330   1.8240 -1.282000 2.354000 
1 1 1   43   19   13 o   8.1100   1.4970   9.0470   1.8820   7.1730   2.3280 1.873000 2.994000 
1 1 1   43   19   14 o   8.6610   1.3510   8.5050   1.9710   8.8160   1.8500 -0.3109000 2.703000 
1 1 1   43   19   15 o   7.2460   1.2640   8.4500   1.5480   6.0420   1.9990 2.408000 2.528000 
1 1 1   43   19   16 o   3.9490   1.2310   4.1130   1.7690   3.7850   1.7120 0.3285000 2.462000 
1 1 1   43   19   17 o   3.7420   1.1910   3.2320   1.5310   4.2510   1.8250 -1.020000 2.382000 
1 1 1   43   19   18 o   3.7270   1.1820   4.1730   1.7810   3.2810   1.5530 0.8927000 2.363000 
1 1 1   43   19   19 o   3.1420   1.0830   2.7160   1.3550   3.5680   1.6890 -0.8520000 2.166000 
1 1 1   43   19   20 o   2.9090   1.0140   2.7220   1.3570   3.0950   1.5080 -0.3727000 2.029000 
1 1 1   43   19   21 o   2.2620   0.8316   2.0430   1.0570   2.4820   1.2850 -0.4385000 1.663000 
1 1 1   43   21    0 o   11.690   0.6574   11.090   0.9285   12.280   0.9310 -1.188000 1.315000 
1 1 1   43   21    1 o   5.0670   1.2060   5.6650   1.6840   4.4690   1.7270 1.196000 2.412000 
1 1 1   43   21    2 o   3.2410   1.0440   3.4340   1.5200   3.0480   1.4310 0.3861000 2.088000 
1 1 1   43   21    3 o   12.250   0.6411   12.800   0.8301   11.690   0.9773 1.118000 1.282000 
1 1 1   43   21    4 o   15.400   0.6620   14.630   0.9514   16.170   0.9207 -1.536000 1.324000 
1 1 1   43   21    5 o   4.8620   1.2920   3.3980   1.5910   6.3250   2.0370 -2.927000 2.584000 
1 1 1   43   21    6 o   2.7760   0.9518   2.5250   1.2410   3.0270   1.4440 -0.5018000 1.904000 
1 1 1   43   21    7 o   10.050   0.8751   10.880   1.0530   9.2100   1.3980 1.674000 1.750000 
1 1 1   43   21    8 o   14.530   0.6224   14.690   0.8305   14.370   0.9273 0.3229000 1.245000 
1 1 1   43   21    9 o   5.1970   1.3150   6.3260   1.9300   4.0670   1.7850 2.259000 2.629000 
1 1 1   43   21   10 o   4.8260   1.2170   6.4570   1.8970   3.1950   1.5250 3.262000 2.434000 
1 1 1   43   21   11 o   4.5760   1.4000   4.0010   1.8190   5.1510   2.1290 -1.151000 2.801000 
1 1 1   43   21   12 o   3.8560   1.2420   4.0040   1.7720   3.7090   1.7410 0.2948000 2.484000 
1 1 1   43   21   13 o   4.2920   1.2400   3.1650   1.5250   5.4190   1.9560 -2.254000 2.480000 
1 1 1   43   21   14 o   5.2630   1.3250   6.1660   1.8990   4.3600   1.8480 1.806000 2.649000 
1 1 1   43   21   15 o   3.1960   1.0740   3.1090   1.4860   3.2830   1.5510 -0.1737000 2.148000 
1 1 1   43   21   16 o   3.3130   1.0900   2.6000   1.2920   4.0270   1.7550 -1.427000 2.180000 
1 1 1   43   21   17 o   2.9250   1.0220   2.6840   1.3400   3.1650   1.5440 -0.4811000 2.044000 
1 1 1   43   21   18 o   2.9580   1.0260   3.4370   1.6240   2.4790   1.2540 0.9586000 2.052000 
1 1 1   43   21   19 o   2.1600   0.7790   2.4830   1.2390   1.8370   0.9452 0.6464000 1.558000 
1 1 1   43   23    0 o   5.2020   1.3990   5.0930   1.9270   5.3110   2.0300 -0.2185000 2.799000 
1 1 1   43   23    1 o   3.6060   1.1780   3.9280   1.7460   3.2850   1.5810 0.6434000 2.355000 
1 1 1   43   23    2 o   8.7060   1.2440   9.6020   1.5330   7.8100   1.9600 1.791000 2.488000 
1 1 1   43   23    3 o   3.5560   1.1260   4.3030   1.7890   2.8100   1.3700 1.493000 2.253000 
1 1 1   43   23    4 o   4.6970   1.3040   5.2440   1.8970   4.1500   1.7890 1.094000 2.607000 
1 1 1   43   23    5 o   3.8850   1.1990   4.5890   1.8530   3.1800   1.5220 1.410000 2.398000 
1 1 1   43   23    6 o   4.0980   1.2530   3.5360   1.6570   4.6590   1.8810 -1.123000 2.506000 
1 1 1   43   23    7 o   4.8390   1.2740   5.6500   1.8250   4.0270   1.7790 1.623000 2.548000 
1 1 1   43   23    8 o   6.8690   1.2710   6.1690   1.8320   7.5700   1.7620 -1.401000 2.542000 
1 1 1   43   23    9 o   5.4120   1.4180   6.0670   2.0140   4.7580   1.9950 1.308000 2.835000 
1 1 1   43   23   10 o   5.1050   1.4220   5.2210   1.9820   4.9890   2.0390 0.2322000 2.843000 
1 1 1   43   23   11 o   4.1880   1.2630   4.1870   1.7730   4.1900   1.7990 -0.3061000E-02 2.526000 
1 1 1   43   23   12 o   3.9510   1.2180   4.4010   1.8170   3.5020   1.6230 0.8994000 2.436000 
1 1 1   43   23   13 o   3.1390   1.0600   2.9010   1.4100   3.3770   1.5830 -0.4754000 2.120000 
1 1 1   43   23   14 o   2.9840   1.0400   2.6630   1.3310   3.3050   1.5970 -0.6424000 2.079000 
1 1 1   43   23   15 o   2.8440   1.0010   2.9310   1.4550   2.7570   1.3750 0.1749000 2.002000 
1 1 1   43   23   16 o   2.5760   0.9056   2.5860   1.2820   2.5670   1.2800 0.1892000E-01 1.811000 
1 1 1   43   23   17 o   1.9420   0.7152   1.9210   1.0000   1.9640   1.0220 -0.4224000E-01 1.430000 
1 1 1   43   25    0 o   4.5940   1.2400   3.5720   1.5940   5.6160   1.8990 -2.044000 2.479000 
1 1 1   43   25    1 o   4.8740   1.2880   4.3110   1.7440   5.4380   1.8970 -1.127000 2.577000 
1 1 1   43   25    2 o   3.3110   1.0880   3.4520   1.5680   3.1700   1.5080 0.2820000 2.176000 
1 1 1   43   25    3 o   6.3070   1.2830   5.5190   1.8160   7.0950   1.8120 -1.576000 2.565000 
1 1 1   43   25    4 o   6.8240   1.2420   7.7540   1.6000   5.8930   1.9010 1.861000 2.485000 
1 1 1   43   25    5 o   9.9710   0.9251   9.1610   1.3780   10.780   1.2340 -1.621000 1.850000 
1 1 1   43   25    6 o   5.9030   1.4780   5.6410   2.1120   6.1650   2.0680 -0.5246000 2.956000 
1 1 1   43   25    7 o   3.7720   1.2160   3.9060   1.7440   3.6390   1.6960 0.2664000 2.433000 
1 1 1   43   25    8 o   6.3850   1.3150   7.0520   1.7940   5.7180   1.9230 1.334000 2.630000 
1 1 1   43   25    9 o   4.8270   1.2910   3.9660   1.7150   5.6880   1.9300 -1.721000 2.582000 
1 1 1   43   25   10 o   4.1250   1.2470   3.0470   1.4780   5.2020   2.0080 -2.156000 2.493000 
1 1 1   43   25   11 o   3.2590   1.1070   3.0860   1.4970   3.4320   1.6310 -0.3459000 2.214000 
1 1 1   43   25   12 o   3.6630   1.1980   3.9460   1.7680   3.3800   1.6170 0.5664000 2.396000 
1 1 1   43   25   13 o   2.9360   1.0000   3.0540   1.4520   2.8170   1.3770 0.2368000 2.001000 
1 1 1   43   25   14 o   2.2440   0.8237   2.2470   1.1660   2.2410   1.1640 0.5741000E-02 1.647000 
1 1 1   43   27    0 o   6.2310   1.3100   5.5330   1.8550   6.9300   1.8500 -1.397000 2.620000 
1 1 1   43   27    1 o   4.6830   1.3490   4.3300   1.7780   5.0360   2.0300 -0.7057000 2.699000 
1 1 1   43   27    2 o   4.6490   1.3650   4.2990   1.8400   4.9980   2.0170 -0.6989000 2.730000 
1 1 1   43   27    3 o   4.1170   1.2580   4.9310   1.9510   3.3040   1.5890 1.627000 2.516000 
1 1 1   43   27    4 o   6.2320   1.1960   9.3930   1.8640   3.0710   1.5000 6.323000 2.393000 
1 1 1   43   27    5 o   2.9580   1.0230   2.8110   1.3850   3.1060   1.5070 -0.2957000 2.047000 
1 1 1   43   27    6 o   2.7870   0.9731   2.5890   1.2930   2.9850   1.4550 -0.3961000 1.946000 
1 1 1   43   27    7 f   2.3540   0.8418   2.3110   1.1700   2.3970   1.2110 -0.8622000E-01 1.684000 
1 1 1   43   27    8 o   2.4410   0.8620   2.7770   1.3500   2.1040   1.0720 0.6730000 1.724000 
1 1 1   43   27    9 o   3.0080   1.0140   3.2280   1.5030   2.7880   1.3620 0.4400000 2.028000 
1 1 1   43   27   10 o   2.2200   0.7937   2.3090   1.1600   2.1320   1.0840 0.1774000 1.587000 
1 1 1   43   29    0 f   3.0730   1.0260   2.9940   1.4210   3.1520   1.4790 -0.1575000 2.051000 
1 1 1   43   29    1 o   2.5830   0.8988   2.7750   1.3420   2.3900   1.1960 0.3844000 1.798000 
1 1 1   43   29    2 o   2.6200   0.9108   2.1640   1.0940   3.0750   1.4560 -0.9105000 1.822000 
1 1 1   43   29    3 o   2.4380   0.8584   2.1970   1.1080   2.6780   1.3110 -0.4811000 1.717000 
1 1 1   43   29    4 f   2.2800   0.8231   2.3200   1.1850   2.2400   1.1430 0.7990000E-01 1.646000 
1 1 1   44    0    0 o   74.510   0.9683   74.510   0.9683   74.510   0.9683 0.000000 0.000000 
1 1 1   44    0    1 o   23.020   0.7044   23.020   0.7044   23.020   0.7044 -0.000000 0.000000 
1 1 1   44    0    2 o   21.020   0.8802   21.020   0.8802   21.020   0.8802 -0.000000 0.000000 
1 1 1   44    0    3 o   10.830   1.6910   10.830   1.6910   10.830   1.6910 0.000000 0.000000 
1 1 1   44    0    4 f   3.3250   1.9200   3.3250   1.9200   3.3250   1.9200 -0.000000 0.000000 
1 1 1   44    0    5 o   38.510   0.4658   38.510   0.4658   38.510   0.4658 0.000000 0.000000 
1 1 1   44    0    6 o   20.220   0.5764   20.220   0.5764   20.220   0.5764 0.000000 0.000000 
1 1 1   44    0    7 o   7.2000   1.7040   7.2000   1.7040   7.2000   1.7040 0.000000 0.000000 
1 1 1   44    0    8 o   20.020   0.5638   20.020   0.5638   20.020   0.5638 0.000000 0.000000 
1 1 1   44    0    9 o   4.8460   2.0440   4.8460   2.0440   4.8460   2.0440 -0.000000 0.000000 
1 1 1   44    0   10 o   8.0360   1.3650   8.0360   1.3650   8.0360   1.3650 0.000000 0.000000 
1 1 1   44    0   11 o   13.510   0.7860   13.510   0.7860   13.510   0.7860 0.000000 0.000000 
1 1 1   44    0   12 o   7.5160   1.9470   7.5160   1.9470   7.5160   1.9470 0.000000 0.000000 
1 1 1   44    0   13 o   17.670   0.6307   17.670   0.6307   17.670   0.6307 -0.000000 0.000000 
1 1 1   44    0   14 o   2.3690   1.5770   2.3690   1.5770   2.3690   1.5770 -0.000000 0.000000 
1 1 1   44    0   15 o   1.6440   1.1880   1.6440   1.1880   1.6440   1.1880 0.000000 0.000000 
1 1 1   44    0   16 o   2.3430   1.5600   2.3430   1.5600   2.3430   1.5600 -0.000000 0.000000 
1 1 1   44    0   17 o   7.0020   2.5800   7.0020   2.5800   7.0020   2.5800 0.000000 0.000000 
1 1 1   44    0   18 o   2.5220   1.6590   2.5220   1.6590   2.5220   1.6590 -0.000000 0.000000 
1 1 1   44    0   19 o   2.9630   1.8380   2.9630   1.8380   2.9630   1.8380 0.000000 0.000000 
1 1 1   44    0   20 o   2.5610   1.7010   2.5610   1.7010   2.5610   1.7010 -0.000000 0.000000 
1 1 1   44    0   21 o   2.2360   1.5540   2.2360   1.5540   2.2360   1.5540 0.000000 0.000000 
1 1 1   44    0   22 o   1.7650   1.2820   1.7650   1.2820   1.7650   1.2820 0.000000 0.000000 
1 1 1   44    0   23 o   1.9930   1.4230   1.9930   1.4230   1.9930   1.4230 -0.000000 0.000000 
1 1 1   44    0   24 o   2.0060   1.4380   2.0060   1.4380   2.0060   1.4380 -0.000000 0.000000 
1 1 1   44    0   25 o   3.3390   2.1890   3.3390   2.1890   3.3390   2.1890 -0.000000 0.000000 
1 1 1   44    0   26 o   2.2890   1.5990   2.2890   1.5990   2.2890   1.5990 0.000000 0.000000 
1 1 1   44    0   27 o   1.8470   1.3390   1.8470   1.3390   1.8470   1.3390 0.000000 0.000000 
1 1 1   44    0   28 o   2.5800   1.8660   2.5800   1.8660   2.5800   1.8660 0.000000 0.000000 
1 1 1   44    2    0 o   37.090   0.3956   38.210   0.6174   35.960   0.4949 2.246000 0.7912000 
1 1 1   44    2    1 o   24.140   0.4711   24.240   0.5503   24.030   0.7649 0.2096000 0.9423000 
1 1 1   44    2    2 o   33.100   0.3383   33.520   0.4460   32.670   0.5088 0.8564000 0.6766000 
1 1 1   44    2    3 o   24.880   0.4516   24.670   0.4952   25.090   0.7553 -0.4238000 0.9032000 
1 1 1   44    2    4 o   21.730   0.5257   21.490   0.6420   21.980   0.8326 -0.4855000 1.051000 
1 1 1   44    2    5 o   20.010   0.5410   20.820   0.5509   19.190   0.9312 1.633000 1.082000 
1 1 1   44    2    6 o   28.480   0.4354   27.680   0.4827   29.270   0.7248 -1.584000 0.8708000 
1 1 1   44    2    7 o   34.610   0.4190   34.730   0.4663   34.490   0.6963 0.2338000 0.8380000 
1 1 1   44    2    8 o   9.6050   1.0730   9.8290   1.0820   9.3810   1.8530 0.4485000 2.146000 
1 1 1   44    2    9 o   16.010   0.6348   16.470   0.6605   15.540   1.0840 0.9340000 1.270000 
1 1 1   44    2   10 o   18.800   0.5469   19.090   0.5766   18.510   0.9295 0.5831000 1.094000 
1 1 1   44    2   11 o   10.980   1.3240   13.300   0.8402   8.6720   2.5120 4.623000 2.649000 
1 1 1   44    2   12 o   6.9170   1.5480   5.7360   1.7320   8.0980   2.5650 -2.362000 3.095000 
1 1 1   44    2   13 o   8.1060   1.2060   10.310   1.1410   5.9070   2.1260 4.399000 2.412000 
1 1 1   44    2   14 o   5.3830   1.3250   5.5240   1.6680   5.2410   2.0590 0.2828000 2.649000 
1 1 1   44    2   15 o   5.6630   1.3070   6.2400   1.6120   5.0850   2.0580 1.156000 2.614000 
1 1 1   44    2   16 o   7.2080   1.5420   7.3920   1.7450   7.0230   2.5430 0.3691000 3.084000 
1 1 1   44    2   17 o   4.5920   1.4350   4.9450   2.0450   4.2390   2.0140 0.7058000 2.870000 
1 1 1   44    2   18 o   7.1180   1.3750   7.0490   1.7410   7.1870   2.1300 -0.1377000 2.751000 
1 1 1   44    2   19 o   5.9020   1.3760   6.0270   1.7030   5.7770   2.1630 0.2495000 2.753000 
1 1 1   44    2   20 o   4.3620   1.2770   4.8140   1.7780   3.9100   1.8340 0.9039000 2.554000 
1 1 1   44    2   21 o   6.6400   1.4230   6.9260   1.7200   6.3530   2.2680 0.5725000 2.846000 
1 1 1   44    2   22 o   4.0360   1.2910   3.7640   1.6740   4.3070   1.9650 -0.5430000 2.582000 
1 1 1   44    2   23 o   4.3590   1.2780   5.2390   1.9150   3.4800   1.6920 1.760000 2.556000 
1 1 1   44    2   24 o   5.2750   1.4490   5.7950   1.9600   4.7550   2.1360 1.040000 2.899000 
1 1 1   44    2   25 o   4.2530   1.4090   4.6050   2.0430   3.9020   1.9400 0.7031000 2.818000 
1 1 1   44    2   26 o   3.8630   1.2510   4.1580   1.8020   3.5670   1.7350 0.5913000 2.501000 
1 1 1   44    2   27 o   2.8890   1.0100   3.0570   1.4750   2.7220   1.3800 0.3346000 2.020000 
1 1 1   44    4    0 o   31.620   0.3406   31.250   0.4719   32.000   0.4913 -0.7525000 0.6812000 
1 1 1   44    4    1 o   11.940   0.5243   12.200   0.7295   11.670   0.7533 0.5332000 1.049000 
1 1 1   44    4    2 o   19.770   0.3688   19.990   0.5273   19.540   0.5158 0.4492000 0.7377000 
1 1 1   44    4    3 o   5.3950   1.1440   5.9400   1.6020   4.8500   1.6320 1.089000 2.287000 
1 1 1   44    4    4 o   19.580   0.5041   19.640   0.6576   19.530   0.7643 0.1063000 1.008000 
1 1 1   44    4    5 o   28.300   0.4159   28.860   0.5551   27.740   0.6195 1.119000 0.8318000 
1 1 1   44    4    6 o   19.110   0.4080   19.090   0.5761   19.120   0.5780 -0.2598000E-01 0.8161000 
1 1 1   44    4    7 o   10.710   0.6915   11.380   0.9146   10.040   1.0370 1.339000 1.383000 
1 1 1   44    4    8 o   12.120   0.6054   11.470   0.9049   12.780   0.8044 -1.303000 1.211000 
1 1 1   44    4    9 o   16.900   0.4445   17.300   0.6193   16.510   0.6379 0.7851000 0.8890000 
1 1 1   44    4   10 o   12.320   0.6368   13.040   0.8234   11.590   0.9715 1.450000 1.274000 
1 1 1   44    4   11 o   18.570   0.4536   18.840   0.6262   18.290   0.6564 0.5529000 0.9072000 
1 1 1   44    4   12 o   3.5200   1.0680   3.9830   1.6030   3.0570   1.4110 0.9255000 2.136000 
1 1 1   44    4   13 o   4.2100   1.2150   4.6890   1.8030   3.7300   1.6290 0.9588000 2.430000 
1 1 1   44    4   14 o   16.200   0.4794   16.420   0.6493   15.990   0.7053 0.4273000 0.9587000 
1 1 1   44    4   15 o   10.030   0.7648   10.430   1.0030   9.6370   1.1550 0.7927000 1.530000 
1 1 1   44    4   16 o   4.8900   1.2110   3.5850   1.6130   6.1950   1.8050 -2.610000 2.421000 
1 1 1   44    4   17 o   4.6540   1.2210   4.9150   1.7250   4.3930   1.7270 0.5223000 2.441000 
1 1 1   44    4   18 o   3.3910   1.1160   3.4660   1.5830   3.3150   1.5740 0.1513000 2.232000 
1 1 1   44    4   19 o   6.3340   1.1830   7.4970   1.5300   5.1700   1.8060 2.327000 2.367000 
1 1 1   44    4   20 o   3.4250   1.1070   3.3620   1.5370   3.4870   1.5940 -0.1257000 2.214000 
1 1 1   44    4   21 o   4.8640   1.2680   5.6320   1.8280   4.0970   1.7580 1.536000 2.537000 
1 1 1   44    4   22 o   4.1260   1.2420   4.4010   1.7980   3.8510   1.7150 0.5496000 2.484000 
1 1 1   44    4   23 o   3.2840   1.0900   3.6500   1.6540   2.9180   1.4210 0.7319000 2.181000 
1 1 1   44    4   24 f   3.9440   1.2520   4.2310   1.8390   3.6570   1.6990 0.5739000 2.504000 
1 1 1   44    4   25 o   5.1170   1.4510   5.4170   2.0790   4.8160   2.0240 0.6010000 2.902000 
1 1 1   44    4   26 o   2.9140   1.0150   2.8800   1.4310   2.9480   1.4400 -0.6795000E-01 2.030000 
1 1 1   44    4   27 o   2.8710   0.9936   2.6820   1.3270   3.0600   1.4790 -0.3788000 1.987000 
1 1 1   44    6    0 o   26.880   0.3655   25.390   0.5441   28.370   0.4882 -2.973000 0.7310000 
1 1 1   44    6    1 o   17.840   0.4078   18.890   0.6087   16.790   0.5427 2.098000 0.8155000 
1 1 1   44    6    2 o   36.490   0.3067   36.490   0.4234   36.500   0.4439 -0.1064000E-01 0.6135000 
1 1 1   44    6    3 o   4.1950   1.1110   3.6710   1.5220   4.7190   1.6200 -1.048000 2.223000 
1 1 1   44    6    4 o   10.830   0.6408   11.000   0.8887   10.650   0.9234 0.3448000 1.282000 
1 1 1   44    6    5 o   31.790   0.3948   31.990   0.5378   31.600   0.5781 0.3979000 0.7896000 
1 1 1   44    6    6 f   8.7170   0.8325   9.1870   1.1260   8.2480   1.2260 0.9391000 1.665000 
1 1 1   44    6    7 o   7.2060   1.0200   6.8080   1.5100   7.6030   1.3710 -0.7943000 2.040000 
1 1 1   44    6    8 o   27.870   0.3598   27.860   0.4931   27.890   0.5242 -0.2265000E-01 0.7197000 
1 1 1   44    6    9 o   23.190   0.3922   23.470   0.5315   22.910   0.5769 0.5526000 0.7845000 
1 1 1   44    6   10 o   5.5010   1.0540   3.7840   1.5650   7.2180   1.4130 -3.435000 2.108000 
1 1 1   44    6   11 o   6.0810   1.1400   6.2040   1.5840   5.9590   1.6400 0.2453000 2.280000 
1 1 1   44    6   12 o   12.100   0.6189   13.210   0.7675   10.990   0.9712 2.228000 1.238000 
1 1 1   44    6   13 o   5.2950   1.2730   6.0550   1.8220   4.5350   1.7780 1.520000 2.546000 
1 1 1   44    6   14 o   6.3790   1.2540   5.6240   1.8640   7.1330   1.6790 -1.509000 2.508000 
1 1 1   44    6   15 o   8.1680   1.0880   7.1050   1.7060   9.2300   1.3500 -2.124000 2.175000 
1 1 1   44    6   16 o   4.7080   1.2090   4.8650   1.6900   4.5510   1.7290 0.3148000 2.417000 
1 1 1   44    6   17 f   2.8010   0.9408   3.3740   1.5100   2.2280   1.1220 1.147000 1.882000 
1 1 1   44    6   18 o   11.250   0.9233   12.100   1.0590   10.400   1.5130 1.706000 1.847000 
1 1 1   44    6   19 o   4.6810   1.2360   3.7480   1.6310   5.6150   1.8580 -1.868000 2.472000 
1 1 1   44    6   20 o   6.4380   1.2090   7.8470   1.5200   5.0300   1.8810 2.817000 2.418000 
1 1 1   44    6   21 o   3.6980   1.1730   3.3230   1.5390   4.0730   1.7700 -0.7493000 2.346000 
1 1 1   44    6   22 o   4.9520   1.3090   5.7960   1.9130   4.1080   1.7880 1.688000 2.619000 
1 1 1   44    6   23 o   3.9290   1.2560   4.0130   1.7960   3.8450   1.7560 0.1682000 2.512000 
1 1 1   44    6   24 o   3.9970   1.2580   3.6460   1.6620   4.3490   1.8900 -0.7024000 2.517000 
1 1 1   44    6   25 o   3.8130   1.2350   4.3090   1.8810   3.3180   1.6000 0.9912000 2.469000 
1 1 1   44    6   26 o   2.7980   0.9848   3.0180   1.4910   2.5780   1.2870 0.4401000 1.970000 
1 1 1   44    6   27 o   2.3660   0.8428   2.2030   1.1190   2.5300   1.2600 -0.3263000 1.686000 
1 1 1   44    8    0 o   12.850   0.5806   12.500   0.8588   13.210   0.7816 -0.7162000 1.161000 
1 1 1   44    8    1 o   36.540   0.3044   36.770   0.4221   36.300   0.4386 0.4675000 0.6087000 
1 1 1   44    8    2 o   16.910   0.3835   16.730   0.5209   17.090   0.5630 -0.3643000 0.7670000 
1 1 1   44    8    3 o   17.990   0.3848   17.970   0.5265   18.010   0.5613 -0.3971000E-01 0.7696000 
1 1 1   44    8    4 o   19.610   0.4689   19.540   0.6254   19.670   0.6988 -0.1271000 0.9377000 
1 1 1   44    8    5 o   7.3430   1.1810   6.1560   1.7520   8.5290   1.5830 -2.373000 2.361000 
1 1 1   44    8    6 o   4.5690   1.1900   4.6460   1.6740   4.4920   1.6930 0.1541000 2.381000 
1 1 1   44    8    7 f   15.430   0.5061   16.140   0.6552   14.720   0.7716 1.419000 1.012000 
1 1 1   44    8    8 o   7.6210   0.9345   7.4290   1.3340   7.8140   1.3090 -0.3844000 1.869000 
1 1 1   44    8    9 o   5.8320   1.1410   5.3420   1.6300   6.3220   1.5970 -0.9793000 2.282000 
1 1 1   44    8   10 o   19.570   0.3979   19.830   0.5467   19.300   0.5784 0.5370000 0.7959000 
1 1 1   44    8   11 o   21.040   0.3893   21.390   0.5309   20.680   0.5696 0.7071000 0.7786000 
1 1 1   44    8   12 o   5.2670   1.1640   6.0270   1.6080   4.5070   1.6840 1.520000 2.329000 
1 1 1   44    8   13 o   9.4300   1.2220   7.4650   2.1110   11.390   1.2330 -3.929000 2.445000 
1 1 1   44    8   14 o   3.8940   1.1520   4.9040   1.8360   2.8840   1.3910 2.020000 2.303000 
1 1 1   44    8   15 o   3.8510   1.1400   3.8930   1.6030   3.8100   1.6220 0.8313000E-01 2.280000 
1 1 1   44    8   16 o   4.6290   1.2080   5.1690   1.7290   4.0900   1.6880 1.079000 2.416000 
1 1 1   44    8   17 o   3.9290   1.2250   4.1950   1.7610   3.6620   1.7020 0.5325000 2.449000 
1 1 1   44    8   18 o   5.1360   1.3680   4.2220   1.7720   6.0490   2.0840 -1.827000 2.735000 
1 1 1   44    8   19 o   3.4680   1.1140   3.7230   1.6350   3.2140   1.5140 0.5088000 2.228000 
1 1 1   44    8   20 o   4.0350   1.2230   4.0330   1.7080   4.0370   1.7510 -0.3585000E-02 2.446000 
1 1 1   44    8   21 o   5.2810   1.2730   3.8240   1.6780   6.7370   1.9140 -2.913000 2.545000 
1 1 1   44    8   22 o   3.5660   1.1730   3.2230   1.5420   3.9080   1.7680 -0.6846000 2.346000 
1 1 1   44    8   23 o   3.9970   1.2610   3.9040   1.7490   4.0890   1.8160 -0.1850000 2.522000 
1 1 1   44    8   24 f   2.9120   1.0020   2.7560   1.3540   3.0680   1.4770 -0.3124000 2.004000 
1 1 1   44    8   25 o   3.1060   1.0750   2.7980   1.3960   3.4140   1.6340 -0.6169000 2.149000 
1 1 1   44    8   26 o   2.4470   0.8692   2.5570   1.2780   2.3370   1.1790 0.2203000 1.738000 
1 1 1   44   10    0 o   19.280   0.3450   18.910   0.4889   19.640   0.4869 -0.7316000 0.6900000 
1 1 1   44   10    1 o   26.630   0.3049   26.370   0.4182   26.890   0.4437 -0.5178000 0.6097000 
1 1 1   44   10    2 o   14.180   0.4649   14.290   0.6388   14.070   0.6755 0.2226000 0.9297000 
1 1 1   44   10    3 o   19.540   0.3798   19.170   0.5173   19.920   0.5561 -0.7534000 0.7595000 
1 1 1   44   10    4 o   19.310   0.5060   18.490   0.6607   20.130   0.7665 -1.637000 1.012000 
1 1 1   44   10    5 o   14.490   0.4985   14.520   0.6778   14.460   0.7312 0.6341000E-01 0.9970000 
1 1 1   44   10    6 f   11.210   0.6101   11.900   0.7757   10.530   0.9420 1.374000 1.220000 
1 1 1   44   10    7 o   14.120   0.5017   14.960   0.6457   13.290   0.7680 1.677000 1.003000 
1 1 1   44   10    8 o   3.5310   1.0690   3.6570   1.5270   3.4050   1.4970 0.2526000 2.138000 
1 1 1   44   10    9 o   8.6880   0.8182   8.3770   1.1730   9.0000   1.1420 -0.6234000 1.636000 
1 1 1   44   10   10 o   5.5790   1.1230   6.6170   1.5010   4.5410   1.6700 2.076000 2.245000 
1 1 1   44   10   11 o   9.2700   0.9043   9.4910   1.2760   9.0490   1.2810 0.4424000 1.809000 
1 1 1   44   10   12 o   11.320   1.0300   10.160   1.7100   12.490   1.1470 -2.328000 2.059000 
1 1 1   44   10   13 o   8.6290   1.1070   7.3020   1.8010   9.9560   1.2870 -2.654000 2.214000 
1 1 1   44   10   14 o   4.7640   1.1980   3.9680   1.6300   5.5600   1.7570 -1.593000 2.397000 
1 1 1   44   10   15 o   4.0450   1.1590   3.3930   1.5130   4.6970   1.7570 -1.304000 2.318000 
1 1 1   44   10   16 o   4.9530   1.2150   5.8100   1.7300   4.0970   1.7060 1.712000 2.430000 
1 1 1   44   10   17 o   5.6480   1.4240   5.1210   1.9120   6.1760   2.1120 -1.055000 2.848000 
1 1 1   44   10   18 o   8.8040   1.0220   9.6590   1.2210   7.9490   1.6390 1.711000 2.044000 
1 1 1   44   10   19 o   3.6490   1.1530   3.4580   1.5680   3.8390   1.6910 -0.3812000 2.307000 
1 1 1   44   10   20 o   5.6060   1.1760   7.5200   1.6620   3.6920   1.6630 3.828000 2.351000 
1 1 1   44   10   21 o   3.1070   1.0610   2.7810   1.3710   3.4320   1.6190 -0.6506000 2.122000 
1 1 1   44   10   22 f   3.7220   1.2020   4.2270   1.8380   3.2170   1.5490 1.010000 2.403000 
1 1 1   44   10   23 o   2.9290   1.0070   2.7060   1.3370   3.1510   1.5060 -0.4451000 2.014000 
1 1 1   44   10   24 o   2.9300   1.0060   2.7200   1.3390   3.1400   1.5010 -0.4199000 2.011000 
1 1 1   44   10   25 o   2.9910   1.0380   3.3140   1.5900   2.6670   1.3340 0.6473000 2.075000 
1 1 1   44   10   26 o   2.3250   0.8365   2.3690   1.2040   2.2820   1.1610 0.8727000E-01 1.673000 
1 1 1   44   12    0 o   22.740   0.5095   22.450   0.7504   23.040   0.6893 -0.5973000 1.019000 
1 1 1   44   12    1 o   38.710   0.3174   38.750   0.4403   38.670   0.4573 0.8210000E-01 0.6348000 
1 1 1   44   12    2 o   22.960   0.5622   22.650   0.6210   23.270   0.9374 -0.6133000 1.124000 
1 1 1   44   12    3 o   17.150   0.4743   16.640   0.6119   17.650   0.7249 -1.007000 0.9487000 
1 1 1   44   12    4 o   12.720   0.5103   13.170   0.6526   12.260   0.7846 0.9052000 1.021000 
1 1 1   44   12    5 o   14.040   0.4711   14.150   0.6278   13.930   0.7025 0.2121000 0.9421000 
1 1 1   44   12    6 f   24.010   0.3525   24.040   0.5028   23.990   0.4940 0.4650000E-01 0.7049000 
1 1 1   44   12    7 o   8.9160   0.7951   10.160   0.9285   7.6750   1.2910 2.482000 1.590000 
1 1 1   44   12    8 o   8.6930   0.8310   9.0200   1.0680   8.3660   1.2740 0.6547000 1.662000 
1 1 1   44   12    9 o   7.1160   1.1170   7.1650   1.5350   7.0670   1.6240 0.9791000E-01 2.234000 
1 1 1   44   12   10 o   10.950   0.7176   10.950   1.0100   10.950   1.0190 0.3511000E-02 1.435000 
1 1 1   44   12   11 o   6.0540   1.1800   5.9400   1.6590   6.1690   1.6770 -0.2290000 2.359000 
1 1 1   44   12   12 o   13.200   0.7238   13.570   1.0140   12.840   1.0330 0.7320000 1.448000 
1 1 1   44   12   13 o   4.2240   1.1920   4.0980   1.6430   4.3510   1.7280 -0.2533000 2.385000 
1 1 1   44   12   14 o   7.1830   1.1200   7.1250   1.5330   7.2400   1.6320 -0.1141000 2.239000 
1 1 1   44   12   15 o   6.9610   1.1200   8.6550   1.3070   5.2680   1.8190 3.386000 2.239000 
1 1 1   44   12   16 o   4.0050   1.1600   2.8730   1.3790   5.1360   1.8660 -2.264000 2.320000 
1 1 1   44   12   17 o   3.7790   1.2200   3.0240   1.4610   4.5330   1.9530 -1.510000 2.439000 
1 1 1   44   12   18 o   5.0370   1.2770   5.7910   1.8200   4.2820   1.7930 1.508000 2.555000 
1 1 1   44   12   19 o   10.670   0.8718   10.340   1.2410   11.010   1.2250 -0.6747000 1.744000 
1 1 1   44   12   20 o   4.0290   1.2530   4.3380   1.8320   3.7190   1.7090 0.6183000 2.506000 
1 1 1   44   12   21 o   3.2100   1.0750   3.0060   1.4490   3.4140   1.5890 -0.4074000 2.151000 
1 1 1   44   12   22 o   2.9030   1.0010   2.6950   1.3340   3.1110   1.4930 -0.4160000 2.002000 
1 1 1   44   12   23 o   3.1410   1.0580   3.6250   1.6550   2.6570   1.3170 0.9681000 2.115000 
1 1 1   44   12   24 o   3.5720   1.1640   2.7090   1.3420   4.4340   1.9030 -1.725000 2.329000 
1 1 1   44   12   25 o   2.6460   0.9501   2.6130   1.3280   2.6790   1.3590 -0.6601000E-01 1.900000 
1 1 1   44   14    0 o   3.1050   1.0030   3.0500   1.3840   3.1590   1.4530 -0.1085000 2.007000 
1 1 1   44   14    1 o   14.520   0.5205   14.120   0.6855   14.910   0.7835 -0.7858000 1.041000 
1 1 1   44   14    2 o   11.900   0.5398   11.690   0.7297   12.110   0.7957 -0.4145000 1.080000 
1 1 1   44   14    3 o   12.060   0.5438   11.980   0.7291   12.140   0.8069 -0.1658000 1.088000 
1 1 1   44   14    4 o   9.3350   0.7093   9.8150   0.8779   8.8550   1.1140 0.9592000 1.419000 
1 1 1   44   14    5 o   21.780   0.3804   21.130   0.5244   22.430   0.5511 -1.305000 0.7607000 
1 1 1   44   14    6 o   19.660   0.4124   20.160   0.5552   19.170   0.6100 0.9908000 0.8249000 
1 1 1   44   14    7 o   21.420   0.4047   21.430   0.5457   21.420   0.5979 0.1372000E-01 0.8095000 
1 1 1   44   14    8 o   12.100   0.6076   11.590   0.8434   12.610   0.8747 -1.018000 1.215000 
1 1 1   44   14    9 o   9.1200   0.8201   8.7930   1.1490   9.4460   1.1710 -0.6531000 1.640000 
1 1 1   44   14   10 o   11.470   0.6621   11.050   0.9509   11.890   0.9216 -0.8346000 1.324000 
1 1 1   44   14   11 o   5.8250   1.3260   7.0430   1.8990   4.6080   1.8500 2.435000 2.651000 
1 1 1   44   14   12 o   4.6890   1.2310   4.2420   1.6740   5.1360   1.8060 -0.8941000 2.462000 
1 1 1   44   14   13 o   15.960   0.5308   16.090   0.7190   15.840   0.7811 0.2432000 1.062000 
1 1 1   44   14   14 o   14.180   0.6006   14.130   0.8358   14.230   0.8627 -0.1045000 1.201000 
1 1 1   44   14   15 o   4.0760   1.1560   5.0470   1.7880   3.1060   1.4670 1.941000 2.313000 
1 1 1   44   14   16 o   4.1770   1.3040   4.0900   1.7930   4.2630   1.8940 -0.1729000 2.608000 
1 1 1   44   14   17 o   6.3610   1.3240   6.4200   1.8410   6.3030   1.9040 0.1169000 2.648000 
1 1 1   44   14   18 o   4.7200   1.3340   5.3030   1.9600   4.1360   1.8110 1.167000 2.668000 
1 1 1   44   14   19 o   3.9860   1.2400   3.2620   1.5620   4.7100   1.9280 -1.448000 2.481000 
1 1 1   44   14   20 o   4.0240   1.2370   4.2030   1.7800   3.8450   1.7180 0.3575000 2.474000 
1 1 1   44   14   21 o   3.2750   1.0940   3.3590   1.5710   3.1900   1.5240 0.1685000 2.189000 
1 1 1   44   14   22 o   3.4490   1.1310   3.2170   1.5270   3.6810   1.6690 -0.4642000 2.263000 
1 1 1   44   14   23 o   3.6780   1.1900   3.4650   1.6480   3.8910   1.7180 -0.4261000 2.381000 
1 1 1   44   14   24 o   2.6220   0.9426   2.7020   1.3690   2.5430   1.2960 0.1585000 1.885000 
1 1 1   44   16    0 o   13.300   0.5355   12.690   0.7565   13.920   0.7582 -1.232000 1.071000 
1 1 1   44   16    1 o   18.930   0.4097   19.180   0.5631   18.690   0.5951 0.4945000 0.8193000 
1 1 1   44   16    2 o   13.520   0.5353   13.530   0.7490   13.510   0.7648 0.1608000E-01 1.071000 
1 1 1   44   16    3 o   14.110   0.5356   14.970   0.6896   13.240   0.8196 1.726000 1.071000 
1 1 1   44   16    4 o   16.840   0.4294   17.070   0.5708   16.610   0.6418 0.4627000 0.8589000 
1 1 1   44   16    5 o   3.8850   1.0540   4.7850   1.5890   2.9850   1.3850 1.801000 2.108000 
1 1 1   44   16    6 o   9.9210   0.7282   9.7820   0.9487   10.060   1.1050 -0.2779000 1.456000 
1 1 1   44   16    7 o   7.5060   0.9997   8.3450   1.1590   6.6660   1.6290 1.678000 1.999000 
1 1 1   44   16    8 o   15.010   0.5080   14.580   0.6930   15.440   0.7430 -0.8520000 1.016000 
1 1 1   44   16    9 o   4.9890   1.2780   5.6190   1.7760   4.3590   1.8390 1.260000 2.556000 
1 1 1   44   16   10 o   3.6310   1.1750   4.0700   1.7830   3.1920   1.5290 0.8783000 2.349000 
1 1 1   44   16   11 o   4.5670   1.2380   4.0790   1.6730   5.0550   1.8270 -0.9764000 2.477000 
1 1 1   44   16   12 o   7.2920   1.1510   9.0600   1.2700   5.5230   1.9200 3.536000 2.302000 
1 1 1   44   16   13 o   3.6560   1.1620   2.9520   1.4010   4.3600   1.8540 -1.408000 2.324000 
1 1 1   44   16   14 o   7.6790   1.2540   7.6840   1.5790   7.6740   1.9470 0.1011000E-01 2.507000 
1 1 1   44   16   15 o   5.9900   1.4100   7.5180   1.8760   4.4620   2.1060 3.056000 2.821000 
1 1 1   44   16   16 o   10.510   1.1270   11.340   1.2540   9.6800   1.8730 1.660000 2.254000 
1 1 1   44   16   17 f   3.2250   1.1020   3.3050   1.5670   3.1460   1.5500 0.1588000 2.204000 
1 1 1   44   16   18 o   3.2200   1.1080   2.9320   1.4220   3.5090   1.7000 -0.5764000 2.216000 
1 1 1   44   16   19 o   4.0960   1.2990   3.7720   1.6830   4.4210   1.9790 -0.6492000 2.598000 
1 1 1   44   16   20 o   3.7530   1.2290   3.6940   1.6700   3.8130   1.8030 -0.1183000 2.457000 
1 1 1   44   16   21 o   3.7220   1.2080   3.9400   1.7290   3.5040   1.6860 0.4356000 2.415000 
1 1 1   44   16   22 o   2.6830   0.9535   2.6940   1.3480   2.6730   1.3490 0.2059000E-01 1.907000 
1 1 1   44   16   23 o   2.4460   1.2660   2.4460   1.2660  ?   ?       ?      ? 
1 1 1   44   18    0 o   16.470   0.4399   16.580   0.5920   16.360   0.6508 0.2245000 0.8798000 
1 1 1   44   18    1 o   16.230   0.4442   16.090   0.6004   16.370   0.6549 -0.2793000 0.8885000 
1 1 1   44   18    2 o   8.1370   0.8702   7.2360   1.3120   9.0390   1.1440 -1.803000 1.740000 
1 1 1   44   18    3 o   14.730   0.5462   14.560   0.6677   14.890   0.8647 -0.3324000 1.092000 
1 1 1   44   18    4 o   8.2570   1.0220   8.3670   1.1700   8.1470   1.6750 0.2204000 2.044000 
1 1 1   44   18    5 o   8.8720   0.9343   8.5010   1.1390   9.2430   1.4820 -0.7414000 1.869000 
1 1 1   44   18    6 f   4.0900   1.1530   4.7520   1.6660   3.4280   1.5930 1.324000 2.305000 
1 1 1   44   18    7 o   7.8470   1.1320   7.6680   1.4070   8.0270   1.7730 -0.3586000 2.263000 
1 1 1   44   18    8 o   7.6500   1.4730   8.6850   1.6830   6.6140   2.4170 2.070000 2.945000 
1 1 1   44   18    9 o   6.8350   1.3960   7.3820   1.8830   6.2890   2.0630 1.093000 2.793000 
1 1 1   44   18   10 o   4.3530   1.2710   3.9840   1.6540   4.7220   1.9300 -0.7378000 2.542000 
1 1 1   44   18   11 o   3.5050   1.1460   2.9110   1.3930   4.0990   1.8200 -1.187000 2.291000 
1 1 1   44   18   12 o   8.2390   1.2180   9.8090   1.2600   6.6700   2.0860 3.139000 2.437000 
1 1 1   44   18   13 o   6.6210   1.2940   8.1360   1.5750   5.1050   2.0540 3.031000 2.588000 
1 1 1   44   18   14 o   8.1650   1.3950   11.110   1.5230   5.2160   2.3370 5.899000 2.789000 
1 1 1   44   18   15 o   12.810   1.0090   15.050   0.9638   10.560   1.7720 4.493000 2.018000 
1 1 1   44   18   16 o   4.2730   1.2060   5.6630   1.9450   2.8830   1.4270 2.780000 2.412000 
1 1 1   44   18   17 o   3.9830   1.2400   3.5860   1.6370   4.3800   1.8640 -0.7936000 2.480000 
1 1 1   44   18   18 o   3.5820   1.1490   2.7410   1.3490   4.4220   1.8600 -1.681000 2.298000 
1 1 1   44   18   19 o   3.8020   1.1920   4.2740   1.7980   3.3310   1.5650 0.9428000 2.384000 
1 1 1   44   18   20 o   2.7720   0.9763   2.4820   1.2530   3.0630   1.4980 -0.5807000 1.953000 
1 1 1   44   18   21 o   2.3600   0.8480   2.4830   1.2530   2.2370   1.1420 0.2458000 1.696000 
1 1 1   44   20    0 o   5.9110   1.2250   6.1930   1.5750   5.6290   1.8760 0.5643000 2.450000 
1 1 1   44   20    1 o   15.560   0.5348   16.290   0.6448   14.830   0.8533 1.457000 1.070000 
1 1 1   44   20    2 o   8.9670   0.9504   8.6750   1.2040   9.2590   1.4700 -0.5846000 1.901000 
1 1 1   44   20    3 o   10.310   0.8169   10.050   1.0360   10.570   1.2630 -0.5236000 1.634000 
1 1 1   44   20    4 o   11.770   0.7294   11.660   0.9222   11.880   1.1300 -0.2177000 1.459000 
1 1 1   44   20    5 o   6.3760   1.3420   4.6840   1.7240   8.0680   2.0590 -3.384000 2.685000 
1 1 1   44   20    6 o   6.0440   1.3480   4.3900   1.8550   7.6980   1.9560 -3.308000 2.696000 
1 1 1   44   20    7 f   3.7860   1.1930   4.6250   1.9170   2.9470   1.4220 1.678000 2.387000 
1 1 1   44   20    8 o   11.910   0.7281   11.560   1.0150   12.260   1.0440 -0.7023000 1.456000 
1 1 1   44   20    9 o   9.2200   0.9917   10.490   1.1210   7.9480   1.6360 2.543000 1.983000 
1 1 1   44   20   10 o   3.5430   1.1340   3.3780   1.5440   3.7080   1.6620 -0.3301000 2.268000 
1 1 1   44   20   11 o   6.5070   1.3260   7.8020   1.7550   5.2120   1.9880 2.590000 2.651000 
1 1 1   44   20   12 o   6.8130   1.4800   8.1220   1.9900   5.5040   2.1920 2.618000 2.961000 
1 1 1   44   20   13 o   4.0720   1.2920   3.8220   1.7340   4.3220   1.9150 -0.4998000 2.584000 
1 1 1   44   20   14 o   6.3070   1.3560   6.0910   1.8750   6.5240   1.9590 -0.4332000 2.712000 
1 1 1   44   20   15 o   4.6050   1.2750   3.6040   1.6280   5.6060   1.9620 -2.002000 2.550000 
1 1 1   44   20   16 o   3.2380   1.0800   3.7680   1.6950   2.7070   1.3400 1.062000 2.161000 
1 1 1   44   20   17 f   2.9710   1.0170   2.8750   1.4010   3.0660   1.4750 -0.1907000 2.034000 
1 1 1   44   20   18 o   3.2710   1.1090   2.8880   1.4240   3.6550   1.7010 -0.7680000 2.219000 
1 1 1   44   20   19 f   2.2480   0.8105   2.2270   1.1350   2.2690   1.1570 -0.4186000E-01 1.621000 
1 1 1   44   22    0 o   7.7240   1.0470   7.5570   1.4690   7.8920   1.4920 -0.3350000 2.093000 
1 1 1   44   22    1 o   11.000   0.7348   10.870   1.0200   11.130   1.0580 -0.2650000 1.470000 
1 1 1   44   22    2 o   4.6280   1.2660   3.1910   1.4630   6.0650   2.0660 -2.873000 2.532000 
1 1 1   44   22    3 o   4.3290   1.3060   4.4280   1.8480   4.2290   1.8460 0.1991000 2.612000 
1 1 1   44   22    4 o   4.4070   1.3240   4.1440   1.8010   4.6710   1.9410 -0.5275000 2.648000 
1 1 1   44   22    5 o   4.0340   1.1920   3.4150   1.5350   4.6530   1.8240 -1.238000 2.384000 
1 1 1   44   22    6 o   3.5610   1.1500   3.6520   1.6460   3.4690   1.6070 0.1825000 2.300000 
1 1 1   44   22    7 o   3.7860   1.2050   3.6280   1.6550   3.9450   1.7510 -0.3168000 2.409000 
1 1 1   44   22    8 o   4.5510   1.3140   4.6910   1.8610   4.4120   1.8550 0.2792000 2.628000 
1 1 1   44   22    9 o   7.2310   1.2910   7.5040   1.6660   6.9570   1.9720 0.5473000 2.582000 
1 1 1   44   22   10 o   6.1240   1.3360   4.1900   1.8180   8.0590   1.9590 -3.869000 2.673000 
1 1 1   44   22   11 o   5.8560   1.4600   5.9460   2.0220   5.7660   2.1070 0.1806000 2.921000 
1 1 1   44   22   12 o   3.0380   1.0340   2.6770   1.3210   3.3990   1.5920 -0.7217000 2.068000 
1 1 1   44   22   13 o   3.0680   1.0410   3.1090   1.4800   3.0270   1.4650 0.8213000E-01 2.082000 
1 1 1   44   22   14 o   2.7430   0.9539   2.8090   1.3710   2.6760   1.3270 0.1328000 1.908000 
1 1 1   44   22   15 o   3.3720   1.1350   2.9740   1.4540   3.7690   1.7430 -0.7951000 2.269000 
1 1 1   44   22   16 o   3.7610   1.1950   4.6840   1.9330   2.8380   1.4040 1.846000 2.389000 
1 1 1   44   22   17 o   2.3690   0.8422   2.6500   1.3050   2.0880   1.0650 0.5620000 1.684000 
1 1 1   44   24    0 o   5.6670   1.4100   7.3750   2.2100   3.9590   1.7510 3.416000 2.819000 
1 1 1   44   24    1 o   5.2110   1.2340   3.3680   1.5600   7.0540   1.9120 -3.686000 2.468000 
1 1 1   44   24    2 o   7.5830   1.2430   8.9000   1.5030   6.2660   1.9790 2.635000 2.486000 
1 1 1   44   24    3 f   3.2510   1.0830   3.2130   1.4960   3.2900   1.5650 -0.7625000E-01 2.165000 
1 1 1   44   24    4 o   8.6840   1.0340   8.8570   1.3980   8.5110   1.5240 0.3463000 2.069000 
1 1 1   44   24    5 o   11.700   0.7746   11.530   1.0720   11.880   1.1180 -0.3456000 1.549000 
1 1 1   44   24    6 o   4.5960   1.2840   4.8990   1.8290   4.2920   1.8020 0.6066000 2.568000 
1 1 1   44   24    7 o   8.1070   1.1460   6.5850   1.8110   9.6290   1.4060 -3.044000 2.293000 
1 1 1   44   24    8 o   6.6910   1.4530   6.6180   1.9790   6.7640   2.1280 -0.1456000 2.906000 
1 1 1   44   24    9 o   8.9670   1.2470   10.330   1.4470   7.6080   2.0300 2.719000 2.493000 
1 1 1   44   24   10 o   4.9620   1.3000   5.7780   1.9010   4.1460   1.7730 1.633000 2.599000 
1 1 1   44   24   11 o   3.6520   1.1620   4.0870   1.7500   3.2180   1.5290 0.8688000 2.324000 
1 1 1   44   24   12 o   3.9810   1.2550   4.3670   1.8610   3.5940   1.6850 0.7731000 2.510000 
1 1 1   44   24   13 o   2.6530   0.9454   2.2030   1.1360   3.1030   1.5120 -0.9002000 1.891000 
1 1 1   44   24   14 o   2.9560   1.0050   3.3300   1.5450   2.5820   1.2860 0.7484000 2.010000 
1 1 1   44   24   15 o   1.8000   0.6637   1.8550   0.9661   1.7450   0.9102 0.1096000 1.327000 
1 1 1   44   26    0 f   5.6800   1.2700   4.3150   1.7540   7.0440   1.8360 -2.730000 2.539000 
1 1 1   44   26    1 o   5.5270   1.2260   7.0740   1.7330   3.9810   1.7340 3.093000 2.452000 
1 1 1   44   26    2 o   7.9340   1.1690   8.7310   1.4690   7.1370   1.8190 1.593000 2.338000 
1 1 1   44   26    3 o   8.1320   1.1510   7.6740   1.6730   8.5890   1.5810 -0.9155000 2.302000 
1 1 1   44   26    4 o   3.6010   1.1790   3.8070   1.7200   3.3940   1.6140 0.4134000 2.359000 
1 1 1   44   26    5 o   6.8420   1.3820   5.5970   1.9930   8.0870   1.9170 -2.490000 2.765000 
1 1 1   44   26    6 o   3.2040   1.0850   3.5610   1.6500   2.8460   1.4110 0.7146000 2.171000 
1 1 1   44   26    7 o   4.4040   1.2420   5.7400   1.9850   3.0680   1.4950 2.673000 2.485000 
1 1 1   44   26    8 o   3.3710   1.1210   2.7680   1.3680   3.9740   1.7750 -1.206000 2.241000 
1 1 1   44   26    9 o   2.4760   0.8822   2.3680   1.1960   2.5850   1.2970 -0.2164000 1.764000 
1 1 1   44   26   10 o   2.4630   0.8694   2.4060   1.2020   2.5200   1.2560 -0.1140000 1.739000 
1 1 1   44   26   11 o   1.9840   0.7175   1.9190   0.9819   2.0490   1.0460 -0.1304000 1.435000 
1 1 1   44   28    0 o   2.9850   1.0510   2.6990   1.3600   3.2710   1.6030 -0.5714000 2.103000 
1 1 1   44   28    1 o   3.6350   1.2310   4.1340   1.8930   3.1360   1.5750 0.9977000 2.463000 
1 1 1   44   28    2 o   3.3660   1.1400   3.8800   1.7980   2.8520   1.4010 1.028000 2.279000 
1 1 1   44   28    3 o   2.9090   1.0000   3.4340   1.5990   2.3830   1.2030 1.051000 2.001000 
1 1 1   44   28    4 o   3.2750   1.0750   3.4240   1.5580   3.1270   1.4810 0.2966000 2.150000 
1 1 1   44   28    5 o   3.4670   1.1080   3.8510   1.6610   3.0840   1.4670 0.7668000 2.216000 
1 1 1   44   28    6 o   2.7650   0.9515   2.5550   1.2610   2.9750   1.4250 -0.4200000 1.903000 
1 1 1   45    1    0 o   47.850   0.4171   47.940   0.6777   47.760   0.4863 0.1768000 0.8341000 
1 1 1   45    1    1 o   16.980   0.5406   16.970   0.8519   16.990   0.6658 -0.2000000E-01 1.081000 
1 1 1   45    1    2 o   16.890   0.5517   16.710   0.8715   17.070   0.6765 -0.3633000 1.103000 
1 1 1   45    1    3 o   13.770   0.9577   13.260   1.6560   14.280   0.9627 -1.016000 1.915000 
1 1 1   45    1    4 o   7.9580   1.5740   7.4690   2.4840   8.4480   1.9340 -0.9789000 3.149000 
1 1 1   45    1    5 o   5.5130   1.4300   5.5220   1.9450   5.5050   2.0960 0.1694000E-01 2.859000 
1 1 1   45    1    6 o   31.500   0.4134   30.970   0.4780   32.040   0.6747 -1.073000 0.8268000 
1 1 1   45    1    7 o   3.3370   1.1160   2.6420   1.2790   4.0320   1.8300 -1.390000 2.233000 
1 1 1   45    1    8 o   5.0760   1.1710   6.4830   1.5920   3.6690   1.7170 2.814000 2.341000 
1 1 1   45    1    9 o   17.120   0.5799   15.620   0.7400   18.620   0.8931 -2.995000 1.160000 
1 1 1   45    1   10 o   13.760   0.6967   13.920   0.7506   13.600   1.1740 0.3240000 1.393000 
1 1 1   45    1   11 o   8.9590   1.0720   7.4730   1.4620   10.450   1.5690 -2.972000 2.145000 
1 1 1   45    1   12 o   9.0890   1.3910   8.9770   1.4710   9.2020   2.3620 -0.2246000 2.783000 
1 1 1   45    1   13 o   17.070   0.6072   16.560   0.7586   17.580   0.9484 -1.025000 1.214000 
1 1 1   45    1   14 o   15.160   0.6401   14.940   0.7239   15.380   1.0560 -0.4409000 1.280000 
1 1 1   45    1   15 o   10.910   0.8594   9.8550   1.0750   11.970   1.3410 -2.111000 1.719000 
1 1 1   45    1   16 o   4.9830   1.2810   5.6290   1.7010   4.3380   1.9170 1.290000 2.563000 
1 1 1   45    1   17 o   4.4380   1.4350   4.0110   1.8390   4.8640   2.2030 -0.8530000 2.870000 
1 1 1   45    1   18 o   3.6130   1.1670   3.5060   1.5480   3.7200   1.7470 -0.2145000 2.334000 
1 1 1   45    1   19 o   4.6370   1.3340   4.7520   1.7760   4.5220   1.9910 0.2296000 2.668000 
1 1 1   45    1   20 o   3.2910   1.0970   3.5230   1.5810   3.0580   1.5210 0.4644000 2.194000 
1 1 1   45    1   21 o   4.9340   1.4160   4.6600   1.8250   5.2090   2.1650 -0.5488000 2.832000 
1 1 1   45    1   22 o   3.3890   1.1470   3.2890   1.5460   3.4890   1.6950 -0.1999000 2.294000 
1 1 1   45    1   23 f   3.9920   1.2840   4.1310   1.7910   3.8530   1.8410 0.2784000 2.569000 
1 1 1   45    1   24 o   7.6580   1.4510   9.0890   1.6330   6.2270   2.3980 2.862000 2.902000 
1 1 1   45    1   25 o   5.1340   1.6300   4.3880   1.9950   5.8790   2.5790 -1.492000 3.260000 
1 1 1   45    1   26 o   3.3380   1.1460   2.9120   1.4190   3.7650   1.8000 -0.8532000 2.292000 
1 1 1   45    1   27 o   2.4480   0.8749   2.7880   1.3690   2.1090   1.0890 0.6796000 1.750000 
1 1 1   45    3    0 o   40.130   0.3349   39.250   0.4907   41.000   0.4559 -1.757000 0.6698000 
1 1 1   45    3    1 o   8.4110   0.8255   9.9740   0.9329   6.8480   1.3620 3.126000 1.651000 
1 1 1   45    3    2 o   6.5010   1.0540   6.8090   1.4760   6.1930   1.5060 0.6159000 2.108000 
1 1 1   45    3    3 o   13.670   0.5213   13.960   0.7411   13.380   0.7335 0.5853000 1.043000 
1 1 1   45    3    4 o   5.4130   1.3380   4.5860   1.8140   6.2390   1.9680 -1.653000 2.677000 
1 1 1   45    3    5 o   10.580   0.7096   9.3810   1.1150   11.780   0.8780 -2.398000 1.419000 
1 1 1   45    3    6 o   22.190   0.3662   22.040   0.5187   22.350   0.5172 -0.3045000 0.7325000 
1 1 1   45    3    7 o   22.830   0.3632   22.480   0.5157   23.180   0.5114 -0.6995000 0.7263000 
1 1 1   45    3    8 o   4.4740   1.1710   4.0210   1.6180   4.9270   1.6930 -0.9057000 2.342000 
1 1 1   45    3    9 o   12.190   0.5923   11.870   0.8566   12.500   0.8181 -0.6382000 1.185000 
1 1 1   45    3   10 o   5.9940   1.1660   6.7430   1.5960   5.2450   1.7000 1.498000 2.332000 
1 1 1   45    3   11 o   6.0850   1.1530   7.4010   1.4930   4.7690   1.7590 2.632000 2.307000 
1 1 1   45    3   12 o   5.0290   1.1650   5.7930   1.6390   4.2660   1.6570 1.527000 2.331000 
1 1 1   45    3   13 o   6.4460   1.2130   7.2370   1.6440   5.6560   1.7850 1.582000 2.427000 
1 1 1   45    3   14 o   10.140   0.7322   10.370   0.9953   9.9040   1.0740 0.4636000 1.464000 
1 1 1   45    3   15 o   14.350   0.5306   13.800   0.7559   14.890   0.7449 -1.091000 1.061000 
1 1 1   45    3   16 o   5.7680   1.2780   4.8240   1.8550   6.7110   1.7580 -1.887000 2.556000 
1 1 1   45    3   17 o   3.8190   1.1980   3.9190   1.6920   3.7180   1.6970 0.2015000 2.396000 
1 1 1   45    3   18 f   4.5360   1.2880   3.5320   1.5940   5.5390   2.0230 -2.007000 2.575000 
1 1 1   45    3   19 o   3.8810   1.1750   3.7690   1.6270   3.9940   1.6940 -0.2241000 2.349000 
1 1 1   45    3   20 o   12.870   0.6930   11.970   1.0150   13.760   0.9437 -1.797000 1.386000 
1 1 1   45    3   21 o   5.0030   1.2880   4.0770   1.7240   5.9290   1.9130 -1.852000 2.575000 
1 1 1   45    3   22 o   3.7190   1.1760   3.6390   1.6390   3.7990   1.6880 -0.1602000 2.353000 
1 1 1   45    3   23 o   9.6270   1.0350   10.230   1.3410   9.0260   1.5780 1.201000 2.071000 
1 1 1   45    3   24 o   5.2300   1.3850   3.9030   1.7730   6.5570   2.1270 -2.654000 2.770000 
1 1 1   45    3   25 o   4.0760   1.2980   4.3760   1.9090   3.7760   1.7610 0.5997000 2.597000 
1 1 1   45    3   26 o   2.9970   1.0280   2.7370   1.3550   3.2570   1.5460 -0.5209000 2.056000 
1 1 1   45    3   27 o   2.9070   0.9927   3.8400   1.7080   1.9740   1.0130 1.866000 1.985000 
1 1 1   45    5    0 o   20.600   0.5733  ?   ?    20.600   0.5733      ?      ? 
1 1 1   45    5    1 o   9.7490   0.6158   9.4290   0.8894   10.070   0.8520 -0.6386000 1.232000 
1 1 1   45    5    2 f   21.340   0.3371   21.060   0.4700   21.610   0.4835 -0.5509000 0.6743000 
1 1 1   45    5    3 f   22.450   0.3443   22.330   0.4923   22.560   0.4814 -0.2277000 0.6886000 
1 1 1   45    5    4 o   12.680   0.7322   12.080   1.0130   13.290   1.0570 -1.210000 1.464000 
1 1 1   45    5    5 f   6.4190   1.3000   5.2820   1.8220   7.5560   1.8550 -2.273000 2.600000 
1 1 1   45    5    6 o   18.520   0.4076   18.350   0.5791   18.690   0.5739 -0.3387000 0.8153000 
1 1 1   45    5    7 o   27.020   0.3358   27.360   0.4746   26.680   0.4751 0.6803000 0.6716000 
1 1 1   45    5    8 o   2.4330   0.8435   2.3380   1.1560   2.5280   1.2290 -0.1899000 1.687000 
1 1 1   45    5    9 o   13.970   0.5601   12.900   0.8273   15.050   0.7554 -2.154000 1.120000 
1 1 1   45    5   10 o   3.3500   1.0630   3.3230   1.4920   3.3760   1.5150 -0.5264000E-01 2.126000 
1 1 1   45    5   11 o   9.6060   0.7779   10.620   0.9561   8.5930   1.2270 2.026000 1.556000 
1 1 1   45    5   12 o   10.590   0.7050   9.7010   1.0600   11.470   0.9296 -1.769000 1.410000 
1 1 1   45    5   13 o   7.7910   1.1070   7.5880   1.6210   7.9940   1.5090 -0.4059000 2.215000 
1 1 1   45    5   14 o   5.1710   1.1090   6.6260   1.5460   3.7160   1.5910 2.910000 2.219000 
1 1 1   45    5   15 o   7.9860   1.1320   6.9440   1.8040   9.0280   1.3690 -2.084000 2.265000 
1 1 1   45    5   16 o   4.0990   1.1700   4.3050   1.6700   3.8940   1.6400 0.4114000 2.340000 
1 1 1   45    5   17 o   3.8680   1.1550   4.1420   1.6670   3.5940   1.6000 0.5479000 2.310000 
1 1 1   45    5   18 o   3.2450   1.0890   3.3190   1.5480   3.1700   1.5310 0.1488000 2.178000 
1 1 1   45    5   19 o   7.8060   1.1010   7.6700   1.5450   7.9420   1.5680 -0.2714000 2.201000 
1 1 1   45    5   20 o   8.8620   1.0300   9.0680   1.3790   8.6570   1.5300 0.4107000 2.060000 
1 1 1   45    5   21 o   9.2170   1.0520   8.3690   1.5710   10.070   1.3990 -1.696000 2.104000 
1 1 1   45    5   22 o   8.0320   1.1950   6.1310   1.9190   9.9320   1.4230 -3.801000 2.390000 
1 1 1   45    5   23 o   4.3460   1.2060   6.3110   2.0910   2.3820   1.2010 3.929000 2.411000 
1 1 1   45    5   24 o   3.4820   1.1590   3.8220   1.7460   3.1410   1.5240 0.6808000 2.318000 
1 1 1   45    5   25 o   4.4580   1.3550   3.9740   1.8140   4.9420   2.0150 -0.9678000 2.711000 
1 1 1   45    5   26 o   2.9000   1.0110   3.2010   1.5540   2.5980   1.2940 0.6028000 2.022000 
1 1 1   45    5   27 o   2.3820   0.8468   2.4250   1.2180   2.3380   1.1770 0.8686000E-01 1.694000 
1 1 1   45    7    0 o   25.660   0.3770   24.870   0.5658   26.450   0.4983 -1.577000 0.7540000 
1 1 1   45    7    1 o   32.400   0.3285   32.910   0.4982   31.890   0.4284 1.023000 0.6571000 
1 1 1   45    7    2 o   18.730   0.3552   18.170   0.4998   19.290   0.5049 -1.122000 0.7104000 
1 1 1   45    7    3 o   14.460   0.4540   13.760   0.6591   15.160   0.6246 -1.393000 0.9081000 
1 1 1   45    7    4 o   5.4500   1.2910   5.8080   1.7610   5.0930   1.8890 0.7152000 2.582000 
1 1 1   45    7    5 o   31.570   0.3922   31.570   0.5387   31.580   0.5702 -0.4271000E-02 0.7845000 
1 1 1   45    7    6 o   6.0840   1.1130   6.0960   1.5810   6.0730   1.5680 0.2345000E-01 2.227000 
1 1 1   45    7    7 o   19.670   0.4149   20.230   0.5578   19.110   0.6144 1.118000 0.8299000 
1 1 1   45    7    8 o   12.640   0.6025   12.410   0.8517   12.870   0.8523 -0.4620000 1.205000 
1 1 1   45    7    9 o   11.860   0.6006   11.600   0.8638   12.110   0.8347 -0.5083000 1.201000 
1 1 1   45    7   10 o   5.8660   1.1280   6.6270   1.5110   5.1060   1.6750 1.521000 2.255000 
1 1 1   45    7   11 o   16.170   0.4625   16.100   0.6405   16.250   0.6675 -0.1503000 0.9251000 
1 1 1   45    7   12 o   13.390   0.5561   12.670   0.8225   14.110   0.7488 -1.440000 1.112000 
1 1 1   45    7   13 o   11.570   0.7880   10.800   1.2150   12.330   1.0030 -1.537000 1.576000 
1 1 1   45    7   14 o   12.120   0.7305   11.980   1.0510   12.250   1.0150 -0.2719000 1.461000 
1 1 1   45    7   15 o   6.1600   1.0970   7.9140   1.3560   4.4070   1.7250 3.507000 2.194000 
1 1 1   45    7   16 o   9.5370   0.8292   9.1810   1.1800   9.8930   1.1650 -0.7125000 1.658000 
1 1 1   45    7   17 o   3.1790   1.0550   3.7740   1.6630   2.5840   1.2990 1.190000 2.111000 
1 1 1   45    7   18 o   7.8310   1.2810   9.5400   1.4720   6.1210   2.0970 3.418000 2.562000 
1 1 1   45    7   19 o   6.2920   1.2370   4.9940   1.8010   7.5900   1.6950 -2.596000 2.473000 
1 1 1   45    7   20 o   6.2180   1.3140   6.5100   1.7770   5.9270   1.9370 0.5836000 2.629000 
1 1 1   45    7   21 o   6.7810   1.1730   9.0880   1.4440   4.4750   1.8480 4.613000 2.345000 
1 1 1   45    7   22 o   5.3520   1.3160   4.1000   1.7610   6.6040   1.9570 -2.504000 2.633000 
1 1 1   45    7   23 o   4.5380   1.2750   5.9200   2.0410   3.1560   1.5300 2.764000 2.551000 
1 1 1   45    7   24 o   4.0530   1.2420   4.4750   1.8420   3.6320   1.6660 0.8432000 2.484000 
1 1 1   45    7   25 o   2.8480   1.0030   3.1460   1.5390   2.5510   1.2880 0.5954000 2.007000 
1 1 1   45    7   26 o   2.8010   0.9723   2.7580   1.3590   2.8440   1.3910 -0.8691000E-01 1.945000 
1 1 1   45    9    0 o   18.660   0.4075   18.270   0.6526   19.050   0.4882 -0.7798000 0.8149000 
1 1 1   45    9    1 o   3.5900   1.0260   3.5260   1.4130   3.6530   1.4890 -0.1267000 2.053000 
1 1 1   45    9    2 o   18.960   0.3551   18.990   0.4764   18.930   0.5268 0.6204000E-01 0.7103000 
1 1 1   45    9    3 o   23.570   0.3218   23.710   0.4401   23.430   0.4696 0.2825000 0.6435000 
1 1 1   45    9    4 o   17.360   0.5779   18.200   0.6829   16.510   0.9325 1.683000 1.156000 
1 1 1   45    9    5 o   13.110   0.5483   12.820   0.7740   13.400   0.7768 -0.5849000 1.097000 
1 1 1   45    9    6 o   6.6780   1.0730   6.3630   1.5480   6.9940   1.4880 -0.6312000 2.147000 
1 1 1   45    9    7 o   5.2660   1.1610   5.0660   1.6330   5.4650   1.6500 -0.3986000 2.321000 
1 1 1   45    9    8 f   20.890   0.3779   21.340   0.5161   20.440   0.5521 0.8956000 0.7558000 
1 1 1   45    9    9 o   14.000   0.5092   13.860   0.7045   14.150   0.7355 -0.2886000 1.018000 
1 1 1   45    9   10 o   17.260   0.4389   17.430   0.6041   17.080   0.6370 0.3463000 0.8779000 
1 1 1   45    9   11 o   22.390   0.3761   22.750   0.5260   22.040   0.5377 0.7049000 0.7522000 
1 1 1   45    9   12 o   5.5140   1.1540   7.4950   1.6370   3.5320   1.6260 3.964000 2.308000 
1 1 1   45    9   13 o   10.340   1.0790   10.030   1.7130   10.650   1.3110 -0.6249000 2.157000 
1 1 1   45    9   14 o   13.270   0.5926   13.060   0.8290   13.480   0.8470 -0.4208000 1.185000 
1 1 1   45    9   15 o   11.950   0.6688   11.600   0.9459   12.310   0.9457 -0.7150000 1.338000 
1 1 1   45    9   16 o   3.5870   1.1210   3.4210   1.5300   3.7540   1.6390 -0.3332000 2.242000 
1 1 1   45    9   17 o   3.7200   1.1990   3.7440   1.6760   3.6960   1.7140 0.4711000E-01 2.398000 
1 1 1   45    9   18 o   9.5500   0.9934   9.9440   1.3710   9.1550   1.4380 0.7896000 1.987000 
1 1 1   45    9   19 o   8.2890   1.1030   8.4950   1.4730   8.0840   1.6420 0.4116000 2.206000 
1 1 1   45    9   20 o   4.5470   1.2910   4.3610   1.7740   4.7330   1.8760 -0.3721000 2.582000 
1 1 1   45    9   21 o   4.1280   1.1940   5.2420   1.8920   3.0150   1.4570 2.227000 2.388000 
1 1 1   45    9   22 o   4.5190   1.3200   5.2710   1.9950   3.7660   1.7280 1.506000 2.639000 
1 1 1   45    9   23 o   3.1400   1.0580   2.8350   1.3840   3.4460   1.6010 -0.6112000 2.117000 
1 1 1   45    9   24 o   2.9400   1.0110   2.8330   1.3880   3.0460   1.4690 -0.2126000 2.021000 
1 1 1   45    9   25 o   3.1880   1.0910   2.8310   1.4080   3.5450   1.6670 -0.7147000 2.182000 
1 1 1   45    9   26 o   2.2420   0.8114   1.9660   1.0120   2.5180   1.2680 -0.5527000 1.623000 
1 1 1   45   11    0 o   10.660   0.5780   10.500   0.7933   10.820   0.8409 -0.3206000 1.156000 
1 1 1   45   11    1 o   15.030   0.5119   13.930   0.6426   16.140   0.7969 -2.205000 1.024000 
1 1 1   45   11    2 o   11.710   0.5600   11.510   0.7770   11.900   0.8065 -0.3844000 1.120000 
1 1 1   45   11    3 o   12.450   0.6185   12.120   0.7970   12.780   0.9459 -0.6550000 1.237000 
1 1 1   45   11    4 o   4.8890   1.2320   4.6030   1.6310   5.1750   1.8470 -0.5718000 2.464000 
1 1 1   45   11    5 o   27.550   0.3151   27.380   0.4291   27.720   0.4616 -0.3401000 0.6303000 
1 1 1   45   11    6 o   13.800   0.4933   14.320   0.6408   13.280   0.7502 1.036000 0.9866000 
1 1 1   45   11    7 f   4.9600   1.1100   4.0280   1.5540   5.8920   1.5840 -1.865000 2.219000 
1 1 1   45   11    8 o   4.8230   1.1650   4.6110   1.6010   5.0360   1.6920 -0.4248000 2.329000 
1 1 1   45   11    9 o   6.3390   1.0650   5.2420   1.6050   7.4370   1.4000 -2.195000 2.130000 
1 1 1   45   11   10 o   3.7640   1.1330   3.4710   1.5400   4.0570   1.6630 -0.5860000 2.266000 
1 1 1   45   11   11 o   4.8540   1.2380   5.6010   1.8110   4.1070   1.6870 1.494000 2.475000 
1 1 1   45   11   12 o   11.820   0.7943   11.810   1.1500   11.830   1.0960 -0.2071000E-01 1.589000 
1 1 1   45   11   13 o   11.990   0.6648   12.370   0.8923   11.610   0.9858 0.7632000 1.330000 
1 1 1   45   11   14 o   6.1770   1.2220   5.9210   1.7060   6.4340   1.7490 -0.5129000 2.444000 
1 1 1   45   11   15 o   5.4540   1.2470   4.5600   1.7350   6.3480   1.7900 -1.788000 2.493000 
1 1 1   45   11   16 o   5.4230   1.2820   5.9790   1.7930   4.8670   1.8330 1.112000 2.563000 
1 1 1   45   11   17 o   4.9630   1.3340   5.9970   1.9710   3.9290   1.7980 2.068000 2.668000 
1 1 1   45   11   18 o   5.6390   1.3240   5.4560   1.8350   5.8220   1.9100 -0.3662000 2.648000 
1 1 1   45   11   19 o   4.7040   1.3020   4.7220   1.8260   4.6860   1.8570 0.3557000E-01 2.605000 
1 1 1   45   11   20 o   3.8440   1.2210   3.6120   1.6600   4.0750   1.7900 -0.4623000 2.441000 
1 1 1   45   11   21 o   5.0560   1.3180   3.6970   1.7040   6.4160   2.0100 -2.720000 2.636000 
1 1 1   45   11   22 o   4.5220   1.2770   5.4070   1.9490   3.6370   1.6510 1.770000 2.554000 
1 1 1   45   11   23 o   4.2120   1.2700   4.3530   1.8200   4.0700   1.7720 0.2823000 2.540000 
1 1 1   45   11   24 o   2.7680   0.9646   2.5870   1.2910   2.9500   1.4340 -0.3621000 1.929000 
1 1 1   45   11   25 o   2.6550   0.9545   2.3920   1.2270   2.9170   1.4620 -0.5243000 1.909000 
1 1 1   45   13    0 o   23.760   0.3122   23.440   0.4366   24.070   0.4465 -0.6283000 0.6245000 
1 1 1   45   13    1 o   12.900   0.4709   12.280   0.6648   13.520   0.6671 -1.233000 0.9417000 
1 1 1   45   13    2 o   22.010   0.4047   23.310   0.5030   20.720   0.6343 2.594000 0.8095000 
1 1 1   45   13    3 o   11.850   0.5302   11.600   0.7196   12.110   0.7789 -0.5140000 1.060000 
1 1 1   45   13    4 o   8.8820   0.7348   9.2310   0.9075   8.5320   1.1560 0.6998000 1.470000 
1 1 1   45   13    5 o   6.0330   1.0450   5.3660   1.4970   6.7010   1.4590 -1.335000 2.090000 
1 1 1   45   13    6 o   9.5000   0.7086   10.060   0.8828   8.9360   1.1090 1.129000 1.417000 
1 1 1   45   13    7 o   15.090   0.5155   14.820   0.7300   15.360   0.7279 -0.5409000 1.031000 
1 1 1   45   13    8 o   8.4060   0.9462   8.2350   1.3210   8.5770   1.3550 -0.3423000 1.892000 
1 1 1   45   13    9 o   13.290   0.5644   13.430   0.7605   13.150   0.8343 0.2844000 1.129000 
1 1 1   45   13   10 o   12.690   0.5981   12.740   0.8202   12.650   0.8709 0.9073000E-01 1.196000 
1 1 1   45   13   11 o   5.3510   1.3380   4.5300   1.8650   6.1710   1.9180 -1.641000 2.676000 
1 1 1   45   13   12 f   14.700   0.6861   15.630   0.9238   13.770   1.0150 1.855000 1.372000 
1 1 1   45   13   13 o   13.520   0.6181   13.970   0.8239   13.080   0.9215 0.8858000 1.236000 
1 1 1   45   13   14 o   11.170   0.7490   12.000   0.9718   10.340   1.1400 1.663000 1.498000 
1 1 1   45   13   15 o   4.6010   1.2440   4.9650   1.7890   4.2370   1.7270 0.7273000 2.487000 
1 1 1   45   13   16 o   4.3550   1.3220   4.3740   1.8430   4.3360   1.8950 0.3806000E-01 2.644000 
1 1 1   45   13   17 o   6.7800   1.3210   5.7520   1.9920   7.8070   1.7340 -2.055000 2.641000 
1 1 1   45   13   18 o   3.2980   1.0880   3.5110   1.6020   3.0840   1.4740 0.4265000 2.176000 
1 1 1   45   13   19 o   5.0450   1.3520   5.8400   1.9880   4.2500   1.8340 1.590000 2.705000 
1 1 1   45   13   20 o   3.4150   1.1170   3.7280   1.6710   3.1020   1.4840 0.6263000 2.235000 
1 1 1   45   13   21 o   3.8820   1.2160   3.7600   1.6910   4.0040   1.7480 -0.2436000 2.432000 
1 1 1   45   13   22 o   3.5850   1.1400   2.7170   1.3420   4.4530   1.8440 -1.736000 2.280000 
1 1 1   45   13   23 o   2.6470   0.9281   3.0380   1.4620   2.2560   1.1430 0.7820000 1.856000 
1 1 1   45   13   24 o   2.6740   0.9604   2.8680   1.4440   2.4790   1.2670 0.3898000 1.921000 
1 1 1   45   15    0 o   13.920   0.5529   14.980   0.6661   12.860   0.8826 2.120000 1.106000 
1 1 1   45   15    1 o   28.690   0.3132   28.610   0.4307   28.770   0.4547 -0.1587000 0.6263000 
1 1 1   45   15    2 o   10.950   0.6397   10.770   0.8892   11.140   0.9198 -0.3696000 1.279000 
1 1 1   45   15    3 o   4.8580   1.1800   4.6900   1.6160   5.0260   1.7200 -0.3361000 2.360000 
1 1 1   45   15    4 o   6.3490   1.0460   4.3820   1.6270   8.3160   1.3140 -3.934000 2.091000 
1 1 1   45   15    5 o   6.3050   1.1290   6.3990   1.5010   6.2100   1.6860 0.1892000 2.257000 
1 1 1   45   15    6 o   16.690   0.4332   16.670   0.5704   16.700   0.6522 -0.2711000E-01 0.8665000 
1 1 1   45   15    7 o   3.8160   1.0900   4.3400   1.6000   3.2910   1.4810 1.050000 2.180000 
1 1 1   45   15    8 o   5.5940   1.1270   4.2040   1.6000   6.9830   1.5880 -2.779000 2.254000 
1 1 1   45   15    9 o   7.2480   1.2140   7.6160   1.8040   6.8810   1.6260 0.7348000 2.429000 
1 1 1   45   15   10 o   6.3900   1.3260   7.7090   1.8120   5.0710   1.9360 2.638000 2.652000 
1 1 1   45   15   11 o   8.2030   1.2330   6.4450   1.9930   9.9610   1.4530 -3.516000 2.467000 
1 1 1   45   15   12 o   8.6590   0.9776   8.9780   1.2920   8.3390   1.4670 0.6389000 1.955000 
1 1 1   45   15   13 o   4.3590   1.2350   4.6160   1.7680   4.1030   1.7260 0.5123000 2.470000 
1 1 1   45   15   14 o   4.5530   1.1840   3.1500   1.4700   5.9560   1.8580 -2.806000 2.369000 
1 1 1   45   15   15 o   4.3960   1.2940   5.2080   1.9600   3.5830   1.6900 1.625000 2.588000 
1 1 1   45   15   16 o   5.4710   1.3570   3.7110   1.6930   7.2310   2.1220 -3.520000 2.714000 
1 1 1   45   15   17 o   4.3650   1.2110   5.9120   1.9820   2.8170   1.3930 3.096000 2.423000 
1 1 1   45   15   18 o   3.5520   1.1660   2.8590   1.4050   4.2440   1.8610 -1.386000 2.332000 
1 1 1   45   15   19 o   4.4010   1.2610   5.2690   1.9110   3.5320   1.6450 1.737000 2.521000 
1 1 1   45   15   20 o   3.9810   1.2340   3.9600   1.7330   4.0020   1.7570 -0.4193000E-01 2.468000 
1 1 1   45   15   21 o   3.6780   1.1410   4.6600   1.8550   2.6960   1.3300 1.964000 2.283000 
1 1 1   45   15   22 o   2.3060   0.8243   2.0900   1.0680   2.5210   1.2560 -0.4307000 1.649000 
1 1 1   45   15   23 o   2.5860   0.9259   2.5210   1.2720   2.6520   1.3460 -0.1314000 1.852000 
1 1 1   45   17    0 o   13.770   0.4888   13.510   0.6828   14.030   0.6995 -0.5229000 0.9775000 
1 1 1   45   17    1 o   11.700   0.5734   11.790   0.7728   11.610   0.8473 0.1788000 1.147000 
1 1 1   45   17    2 o   5.6290   1.1230   5.2640   1.5700   5.9930   1.6050 -0.7294000 2.245000 
1 1 1   45   17    3 o   11.750   0.5975   11.420   0.8204   12.090   0.8690 -0.6778000 1.195000 
1 1 1   45   17    4 o   5.3230   1.1360   5.8610   1.5110   4.7850   1.6980 1.077000 2.273000 
1 1 1   45   17    5 o   4.9860   1.1340   5.8410   1.5430   4.1300   1.6620 1.711000 2.268000 
1 1 1   45   17    6 o   4.1490   1.1480   4.5550   1.6300   3.7420   1.6170 0.8129000 2.296000 
1 1 1   45   17    7 o   3.9600   1.1570   3.4340   1.5040   4.4850   1.7580 -1.051000 2.314000 
1 1 1   45   17    8 o   13.310   0.6104   13.950   0.7520   12.670   0.9616 1.275000 1.221000 
1 1 1   45   17    9 o   8.2940   1.2420   8.5670   1.6550   8.0220   1.8520 0.5448000 2.484000 
1 1 1   45   17   10 o   5.9530   1.2890   5.2820   1.8580   6.6230   1.7850 -1.342000 2.577000 
1 1 1   45   17   11 o   15.570   0.5868   15.460   0.8432   15.680   0.8163 -0.2189000 1.174000 
1 1 1   45   17   12 o   8.4110   1.0890   9.2070   1.3280   7.6140   1.7260 1.593000 2.178000 
1 1 1   45   17   13 f   4.2120   1.2430   4.3210   1.7600   4.1030   1.7580 0.2180000 2.487000 
1 1 1   45   17   14 o   5.3810   1.4480   5.3750   1.9860   5.3870   2.1070 -0.1223000E-01 2.895000 
1 1 1   45   17   15 o   7.6450   1.5310   6.5240   2.1180   8.7660   2.2120 -2.242000 3.063000 
1 1 1   45   17   16 o   3.8640   1.2360   3.7240   1.6930   4.0030   1.8000 -0.2789000 2.471000 
1 1 1   45   17   17 o   3.0870   1.0670   2.5470   1.2710   3.6260   1.7140 -1.079000 2.134000 
1 1 1   45   17   18 o   3.6410   1.2170   2.8530   1.3920   4.4290   1.9950 -1.576000 2.433000 
1 1 1   45   17   19 o   3.1540   1.0840   3.1160   1.4880   3.1910   1.5750 -0.7462000E-01 2.167000 
1 1 1   45   17   20 o   2.8840   1.0020   3.0590   1.4660   2.7080   1.3660 0.3509000 2.004000 
1 1 1   45   17   21 o   2.6470   0.9447   2.4310   1.2320   2.8630   1.4320 -0.4317000 1.889000 
1 1 1   45   17   22 o   1.9870   1.0340   1.9870   1.0340  ?   ?       ?      ? 
1 1 1   45   19    0 o   8.7900   0.7987   8.3180   1.1490   9.2610   1.1100 -0.9438000 1.597000 
1 1 1   45   19    1 o   5.1520   1.1530   5.7200   1.5690   4.5840   1.6890 1.136000 2.306000 
1 1 1   45   19    2 o   12.780   0.5624   12.620   0.7651   12.950   0.8244 -0.3263000 1.125000 
1 1 1   45   19    3 f   4.7480   1.0610   2.9440   1.3610   6.5530   1.6270 -3.609000 2.122000 
1 1 1   45   19    4 o   6.2690   1.1520   5.2680   1.6600   7.2700   1.5970 -2.002000 2.304000 
1 1 1   45   19    5 o   4.2120   1.1730   3.4260   1.5100   4.9980   1.7970 -1.573000 2.347000 
1 1 1   45   19    6 o   5.8520   1.2630   4.5910   1.6940   7.1130   1.8740 -2.521000 2.526000 
1 1 1   45   19    7 o   9.0490   1.4230   9.5030   1.5540   8.5950   2.3850 0.9084000 2.847000 
1 1 1   45   19    8 o   6.3400   1.5900   5.7860   2.0320   6.8950   2.4450 -1.109000 3.180000 
1 1 1   45   19    9 o   5.2110   1.3120   5.8210   1.7730   4.6020   1.9330 1.219000 2.623000 
1 1 1   45   19   10 o   6.1470   1.3870   6.2910   1.7700   6.0030   2.1360 0.2882000 2.774000 
1 1 1   45   19   11 o   4.6130   1.2470   5.6360   1.8360   3.5900   1.6890 2.046000 2.495000 
1 1 1   45   19   12 o   4.1260   1.2830   3.1190   1.4910   5.1340   2.0880 -2.015000 2.566000 
1 1 1   45   19   13 o   5.4760   1.6010   4.3140   1.9110   6.6380   2.5700 -2.324000 3.202000 
1 1 1   45   19   14 o   5.0150   1.3770   5.5710   1.9230   4.4600   1.9720 1.112000 2.754000 
1 1 1   45   19   15 o   3.1280   1.0840   2.8420   1.3890   3.4140   1.6650 -0.5725000 2.168000 
1 1 1   45   19   16 o   5.0680   1.4250   5.0160   1.9040   5.1200   2.1210 -0.1040000 2.851000 
1 1 1   45   19   17 o   4.5590   1.3570   4.7930   1.8890   4.3240   1.9470 0.4684000 2.713000 
1 1 1   45   19   18 f   3.0780   1.0680   2.5980   1.2900   3.5590   1.7040 -0.9613000 2.137000 
1 1 1   45   19   19 o   2.9920   1.0470   2.6660   1.3330   3.3180   1.6150 -0.6528000 2.094000 
1 1 1   45   19   20 o   2.1110   0.7678   1.9850   1.0210   2.2370   1.1470 -0.2518000 1.536000 
1 1 1   45   21    0 f   10.870   0.7881   11.510   0.9136   10.230   1.2840 1.283000 1.576000 
1 1 1   45   21    1 o   14.450   0.6209   14.460   0.7507   14.440   0.9893 0.2303000E-01 1.242000 
1 1 1   45   21    2 o   9.8320   0.9355   10.860   0.9738   8.8050   1.5980 2.054000 1.871000 
1 1 1   45   21    3 o   7.9450   1.1020   8.0760   1.3040   7.8140   1.7770 0.2620000 2.204000 
1 1 1   45   21    4 o   7.2080   1.5570   7.0230   1.9220   7.3920   2.4490 -0.3691000 3.113000 
1 1 1   45   21    5 o   7.9670   1.5480   7.8680   1.8710   8.0660   2.4660 -0.1981000 3.096000 
1 1 1   45   21    6 o   5.1510   1.3540   6.4310   2.0410   3.8710   1.7800 2.560000 2.709000 
1 1 1   45   21    7 o   6.3940   1.3940   6.1080   1.7660   6.6800   2.1580 -0.5713000 2.788000 
1 1 1   45   21    8 o   3.5570   1.1530   3.9880   1.7420   3.1270   1.5100 0.8607000 2.305000 
1 1 1   45   21    9 o   7.0400   1.3290   7.2090   1.8140   6.8720   1.9430 0.3375000 2.658000 
1 1 1   45   21   10 o   5.1420   1.3080   3.7420   1.6950   6.5430   1.9920 -2.801000 2.615000 
1 1 1   45   21   11 o   3.7810   1.2180   4.1880   1.8190   3.3730   1.6200 0.8151000 2.436000 
1 1 1   45   21   12 o   5.9530   1.4090   4.5540   1.8880   7.3520   2.0910 -2.798000 2.817000 
1 1 1   45   21   13 o   5.7650   1.3730   5.8790   1.8960   5.6520   1.9860 0.2270000 2.745000 
1 1 1   45   21   14 o   3.6830   1.1800   3.6190   1.6440   3.7460   1.6930 -0.1275000 2.360000 
1 1 1   45   21   15 o   4.1250   1.2380   4.5240   1.8190   3.7270   1.6780 0.7977000 2.475000 
1 1 1   45   21   16 o   3.6280   1.1900   3.4450   1.6180   3.8100   1.7470 -0.3645000 2.381000 
1 1 1   45   21   17 o   2.4900   0.8881   2.6120   1.3070   2.3670   1.2030 0.2448000 1.776000 
1 1 1   45   21   18 o   2.2080   0.7930   1.9900   1.0180   2.4260   1.2160 -0.4362000 1.586000 
1 1 1   45   23    0 o   7.0860   1.5810   6.7910   1.9960   7.3800   2.4540 -0.5896000 3.163000 
1 1 1   45   23    1 o   5.5010   1.4080   6.6100   2.0090   4.3920   1.9740 2.218000 2.816000 
1 1 1   45   23    2 o   6.2500   2.2200  ?   ?    6.2500   2.2200      ?      ? 
1 1 1   45   23    3 f   11.430   0.8387   10.920   1.1690   11.930   1.2030 -1.011000 1.677000 
1 1 1   45   23    4 o   10.950   0.8792   10.710   1.2180   11.200   1.2680 -0.4875000 1.758000 
1 1 1   45   23    5 f   12.360   0.9353   12.570   1.0510   12.150   1.5470 0.4224000 1.871000 
1 1 1   45   23    6 o   8.4850   1.1190   8.3070   1.4780   8.6630   1.6800 -0.3560000 2.238000 
1 1 1   45   23    7 o   3.7490   1.1740   3.9100   1.6820   3.5890   1.6390 0.3214000 2.348000 
1 1 1   45   23    8 o   3.5490   1.0960   4.6720   1.8210   2.4250   1.2200 2.247000 2.192000 
1 1 1   45   23    9 o   5.0730   1.3470   3.5410   1.6500   6.6040   2.1290 -3.062000 2.693000 
1 1 1   45   23   10 o   3.5100   1.1660   2.8590   1.4060   4.1610   1.8600 -1.301000 2.332000 
1 1 1   45   23   11 o   3.5010   1.1360   3.1140   1.4820   3.8880   1.7230 -0.7738000 2.273000 
1 1 1   45   23   12 o   5.0970   1.2450   6.5410   1.8570   3.6530   1.6600 2.887000 2.490000 
1 1 1   45   23   13 o   3.4610   1.1490   3.8580   1.7450   3.0650   1.4960 0.7935000 2.298000 
1 1 1   45   23   14 o   2.9410   1.0220   3.1950   1.5380   2.6870   1.3460 0.5075000 2.043000 
1 1 1   45   23   15 o   2.8930   0.9938   2.3480   1.1800   3.4380   1.5990 -1.090000 1.988000 
1 1 1   45   23   16 o   1.1460   0.4234   1.1420   0.5963   1.1510   0.6013 -0.9482000E-02 0.8468000 
1 1 1   45   25    0 o   4.6360   1.2740   4.7230   1.7810   4.5490   1.8230 0.1745000 2.548000 
1 1 1   45   25    1 o   4.7390   1.2500   5.5030   1.8120   3.9750   1.7220 1.528000 2.500000 
1 1 1   45   25    2 o   3.5480   1.1480   3.8690   1.7200   3.2260   1.5220 0.6425000 2.296000 
1 1 1   45   25    3 o   8.5270   1.0870   10.200   1.1950   6.8490   1.8160 3.356000 2.174000 
1 1 1   45   25    4 o   5.2570   1.3120   4.5280   1.7970   5.9870   1.9110 -1.459000 2.623000 
1 1 1   45   25    5 o   3.7240   1.1710   3.9140   1.6890   3.5350   1.6220 0.3788000 2.342000 
1 1 1   45   25    6 o   3.7820   1.2170   3.4140   1.5940   4.1500   1.8400 -0.7360000 2.435000 
1 1 1   45   25    7 o   3.3630   1.1220   3.8000   1.7170   2.9250   1.4460 0.8758000 2.245000 
1 1 1   45   25    8 o   3.0620   1.0440   3.6220   1.6730   2.5010   1.2490 1.121000 2.088000 
1 1 1   45   25    9 o   2.7280   0.9617   2.4280   1.2250   3.0270   1.4830 -0.5990000 1.923000 
1 1 1   45   25   10 o   3.0950   1.0600   3.2880   1.5610   2.9020   1.4350 0.3855000 2.120000 
1 1 1   45   25   11 o   2.6390   0.9314   3.0420   1.4720   2.2360   1.1420 0.8061000 1.863000 
1 1 1   45   25   12 o   2.3990   0.8526   2.1200   1.0760   2.6790   1.3230 -0.5591000 1.705000 
1 1 1   45   27    0 o   4.4020   1.2550   4.0090   1.6890   4.7950   1.8570 -0.7854000 2.510000 
1 1 1   45   27    1 o   3.7100   1.1600   3.9460   1.6890   3.4730   1.5920 0.4725000 2.321000 
1 1 1   45   27    2 o   4.5570   1.3390   4.8960   1.9420   4.2180   1.8440 0.6781000 2.678000 
1 1 1   45   27    3 o   5.7550   1.5340   5.4360   2.1200   6.0740   2.2170 -0.6375000 3.067000 
1 1 1   45   27    4 o   4.1300   1.2910   5.0900   2.0600   3.1700   1.5580 1.919000 2.582000 
1 1 1   45   27    5 o   3.6490   1.1770   3.1640   1.5120   4.1340   1.8040 -0.9698000 2.354000 
1 1 1   45   27    6 o   3.5540   1.1580   3.4520   1.6070   3.6550   1.6690 -0.2036000 2.317000 
1 1 1   45   27    7 o   3.0110   1.0120   2.4860   1.2320   3.5350   1.6050 -1.049000 2.023000 
1 1 1   45   27    8 o   2.2060   0.7890   2.0910   1.0620   2.3210   1.1680 -0.2295000 1.578000 
1 1 1   45   29    0 o   2.5930   0.8994   2.9760   1.4070   2.2100   1.1200 0.7665000 1.799000 
1 1 1   45   29    1 o   1.9170   0.7044   1.9480   1.0110   1.8860   0.9814 0.6193000E-01 1.409000 
1 1 1   46    0    0 o   24.080   0.5214   24.080   0.5214   24.080   0.5214 -0.000000 0.000000 
1 1 1   46    0    1 o   18.850   0.5486   18.850   0.5486   18.850   0.5486 0.000000 0.000000 
1 1 1   46    0    2 o   7.9430   2.4210   7.9430   2.4210   7.9430   2.4210 0.000000 0.000000 
1 1 1   46    0    3 o   6.7770   2.6380   6.7770   2.6380   6.7770   2.6380 0.000000 0.000000 
1 1 1   46    0    4 o   17.110   0.6291   17.110   0.6291   17.110   0.6291 -0.000000 0.000000 
1 1 1   46    0    5 o   31.820   0.4612   31.820   0.4612   31.820   0.4612 -0.000000 0.000000 
1 1 1   46    0    6 o   1.5970   1.1600   1.5970   1.1600   1.5970   1.1600 -0.000000 0.000000 
1 1 1   46    0    7 o   14.230   0.8228   14.230   0.8228   14.230   0.8228 0.000000 0.000000 
1 1 1   46    0    8 o   3.2340   2.0890   3.2340   2.0890   3.2340   2.0890 0.000000 0.000000 
1 1 1   46    0    9 o   12.930   1.2470   12.930   1.2470   12.930   1.2470 0.000000 0.000000 
1 1 1   46    0   10 o   10.170   1.6690   10.170   1.6690   10.170   1.6690 0.000000 0.000000 
1 1 1   46    0   11 o   3.4830   2.1600   3.4830   2.1600   3.4830   2.1600 0.000000 0.000000 
1 1 1   46    0   12 o   4.0570   2.5330   4.0570   2.5330   4.0570   2.5330 -0.000000 0.000000 
1 1 1   46    0   13 o   8.4790   2.0790   8.4790   2.0790   8.4790   2.0790 0.000000 0.000000 
1 1 1   46    0   14 o   3.0250   1.9910   3.0250   1.9910   3.0250   1.9910 0.000000 0.000000 
1 1 1   46    0   15 o   3.1510   2.0460   3.1510   2.0460   3.1510   2.0460 0.000000 0.000000 
1 1 1   46    0   16 o   5.2580   2.5850   5.2580   2.5850   5.2580   2.5850 -0.000000 0.000000 
1 1 1   46    0   17 o   4.3060   2.6760   4.3060   2.6760   4.3060   2.6760 -0.000000 0.000000 
1 1 1   46    0   18 o   3.4640   2.2030   3.4640   2.2030   3.4640   2.2030 0.000000 0.000000 
1 1 1   46    0   19 o   4.2130   2.4640   4.2130   2.4640   4.2130   2.4640 -0.000000 0.000000 
1 1 1   46    0   20 o   3.5630   2.2550   3.5630   2.2550   3.5630   2.2550 0.000000 0.000000 
1 1 1   46    0   21 o   2.6400   1.8560   2.6400   1.8560   2.6400   1.8560 -0.000000 0.000000 
1 1 1   46    0   22 o   2.9620   2.0320   2.9620   2.0320   2.9620   2.0320 0.000000 0.000000 
1 1 1   46    0   23 o   2.7950   1.9460   2.7950   1.9460   2.7950   1.9460 0.000000 0.000000 
1 1 1   46    0   24 o   4.0880   2.5260   4.0880   2.5260   4.0880   2.5260 -0.000000 0.000000 
1 1 1   46    0   25 o   3.6470   2.4870   3.6470   2.4870   3.6470   2.4870 -0.000000 0.000000 
1 1 1   46    0   26 o   2.6070   1.8450   2.6070   1.8450   2.6070   1.8450 -0.000000 0.000000 
1 1 1   46    0   27 o   1.8550   1.3700   1.8550   1.3700   1.8550   1.3700 -0.000000 0.000000 
1 1 1   46    2    0 o   37.430   0.3856   37.090   0.5856   37.770   0.5018 -0.6831000 0.7712000 
1 1 1   46    2    1 o   34.140   0.3847   34.560   0.5914   33.720   0.4921 0.8379000 0.7694000 
1 1 1   46    2    2 o   9.5080   0.8939   9.2780   1.4850   9.7380   0.9951 -0.4602000 1.788000 
1 1 1   46    2    3 f   21.850   0.6137   22.180   1.0170   21.530   0.6866 0.6561000 1.227000 
1 1 1   46    2    4 o   8.5100   1.4090   7.2210   2.4100   9.7980   1.4610 -2.577000 2.818000 
1 1 1   46    2    5 o   9.2040   0.9968   8.3450   1.7340   10.060   0.9829 -1.718000 1.994000 
1 1 1   46    2    6 o   4.8020   1.2870   5.6400   2.0200   3.9640   1.5970 1.675000 2.575000 
1 1 1   46    2    7 o   4.9990   1.2350   4.2120   1.8320   5.7860   1.6560 -1.574000 2.469000 
1 1 1   46    2    8 o   18.140   0.4843   17.560   0.7755   18.720   0.5802 -1.157000 0.9686000 
1 1 1   46    2    9 o   8.1340   1.0760   6.6130   1.8780   9.6560   1.0520 -3.043000 2.153000 
1 1 1   46    2   10 o   14.180   0.5240   13.700   0.7865   14.650   0.6925 -0.9544000 1.048000 
1 1 1   46    2   11 o   3.2020   1.0420   3.2500   1.4860   3.1540   1.4610 0.9607000E-01 2.084000 
1 1 1   46    2   12 o   4.4980   1.2130   5.2470   1.8020   3.7480   1.6250 1.499000 2.427000 
1 1 1   46    2   13 o   8.0740   1.0420   8.5050   1.4150   7.6420   1.5300 0.8632000 2.084000 
1 1 1   46    2   14 o   3.3320   1.0440   2.9330   1.3710   3.7310   1.5740 -0.7986000 2.088000 
1 1 1   46    2   15 o   7.4420   1.0370   8.6050   1.2310   6.2790   1.6690 2.325000 2.074000 
1 1 1   46    2   16 o   14.450   0.6626   14.840   0.9342   14.060   0.9398 0.7861000 1.325000 
1 1 1   46    2   17 o   3.3620   1.1150   2.9870   1.4350   3.7380   1.7070 -0.7508000 2.230000 
1 1 1   46    2   18 o   5.5510   1.2210   4.5860   1.7440   6.5170   1.7100 -1.931000 2.442000 
1 1 1   46    2   19 o   3.8580   1.1770   3.7900   1.6470   3.9260   1.6820 -0.1360000 2.354000 
1 1 1   46    2   20 o   5.1050   1.2970   5.4780   1.8340   4.7310   1.8330 0.7469000 2.593000 
1 1 1   46    2   21 o   3.8030   1.1790   4.3630   1.8040   3.2430   1.5190 1.119000 2.358000 
1 1 1   46    2   22 o   5.9850   1.3590   6.2370   1.9060   5.7340   1.9370 0.5027000 2.718000 
1 1 1   46    2   23 o   3.7000   1.1780   3.3220   1.5590   4.0780   1.7650 -0.7554000 2.355000 
1 1 1   46    2   24 o   3.9190   1.2630   4.0540   1.8160   3.7850   1.7570 0.2692000 2.527000 
1 1 1   46    2   25 o   3.5820   1.1890   2.8000   1.3960   4.3640   1.9250 -1.565000 2.378000 
1 1 1   46    2   26 o   2.4870   0.8820   2.5520   1.2750   2.4230   1.2190 0.1290000 1.764000 
1 1 1   46    2   27 o   2.2420   0.8085   2.3370   1.1890   2.1480   1.0960 0.1895000 1.617000 
1 1 1   46    4    0 o   22.720   0.3400   22.620   0.5088   22.820   0.4511 -0.1960000 0.6800000 
1 1 1   46    4    1 o   9.4740   0.6483   9.9070   0.8954   9.0410   0.9378 0.8661000 1.297000 
1 1 1   46    4    2 o   20.700   0.3547   20.310   0.5201   21.090   0.4824 -0.7841000 0.7094000 
1 1 1   46    4    3 o   7.7690   0.8884   8.3070   1.2380   7.2320   1.2750 1.075000 1.777000 
1 1 1   46    4    4 o   14.220   0.6550   13.950   0.8952   14.500   0.9563 -0.5495000 1.310000 
1 1 1   46    4    5 o   7.8370   0.9474   7.2780   1.4710   8.3960   1.1940 -1.119000 1.895000 
1 1 1   46    4    6 o   11.210   0.6349   11.430   0.9108   10.990   0.8847 0.4402000 1.270000 
1 1 1   46    4    7 o   9.8020   0.7266   9.3840   1.0940   10.220   0.9567 -0.8362000 1.453000 
1 1 1   46    4    8 o   15.070   0.4788   15.410   0.6770   14.730   0.6773 0.6751000 0.9576000 
1 1 1   46    4    9 o   6.1870   1.1330   6.6430   1.5660   5.7300   1.6370 0.9124000 2.266000 
1 1 1   46    4   10 o   6.7710   1.1280   6.8000   1.5950   6.7410   1.5960 0.5827000E-01 2.257000 
1 1 1   46    4   11 o   12.140   0.5943   12.330   0.8139   11.940   0.8663 0.3875000 1.189000 
1 1 1   46    4   12 o   5.8980   1.0820   4.3810   1.6430   7.4150   1.4090 -3.034000 2.164000 
1 1 1   46    4   13 f   3.6600   1.1380   3.8000   1.6490   3.5210   1.5690 0.2781000 2.277000 
1 1 1   46    4   14 o   5.5130   1.1290   4.1540   1.6440   6.8720   1.5480 -2.718000 2.258000 
1 1 1   46    4   15 o   5.2510   1.2770   4.2830   1.7930   6.2200   1.8200 -1.937000 2.555000 
1 1 1   46    4   16 o   2.8500   0.9807   2.7920   1.3710   2.9080   1.4030 -0.1155000 1.961000 
1 1 1   46    4   17 o   5.9100   1.3250   4.4110   1.7640   7.4100   1.9770 -2.998000 2.649000 
1 1 1   46    4   18 o   4.1320   1.2690   4.0750   1.7440   4.1890   1.8440 -0.1147000 2.538000 
1 1 1   46    4   19 o   3.8230   1.1730   3.5250   1.5840   4.1210   1.7310 -0.5965000 2.346000 
1 1 1   46    4   20 o   3.0590   1.0290   2.8900   1.3870   3.2280   1.5190 -0.3379000 2.057000 
1 1 1   46    4   21 o   4.6770   1.3240   4.8340   1.8450   4.5200   1.9010 0.3133000 2.649000 
1 1 1   46    4   22 o   4.5520   1.3030   4.8800   1.8840   4.2240   1.8010 0.6555000 2.606000 
1 1 1   46    4   23 f   5.2350   1.3530   5.6240   1.9290   4.8460   1.8970 0.7778000 2.706000 
1 1 1   46    4   24 o   4.0120   1.2700   4.2190   1.8530   3.8040   1.7380 0.4143000 2.541000 
1 1 1   46    4   25 f   2.7690   0.9820   2.2790   1.1630   3.2600   1.5820 -0.9808000 1.964000 
1 1 1   46    4   26 o   3.5470   1.1220   2.5000   1.2520   4.5950   1.8610 -2.095000 2.243000 
1 1 1   46    4   27 o   2.1780   0.7998   2.2660   1.1740   2.0900   1.0860 0.1762000 1.600000 
1 1 1   46    6    0 o   28.290   0.3365   28.320   0.4679   28.260   0.4837 0.6701000E-01 0.6729000 
1 1 1   46    6    1 o   33.550   0.2972   33.180   0.4133   33.920   0.4272 -0.7347000 0.5944000 
1 1 1   46    6    2 o   19.170   0.3492   19.000   0.4877   19.340   0.4999 -0.3481000 0.6984000 
1 1 1   46    6    3 o   9.4960   0.6916   8.9910   1.0390  10.0000   0.9128 -1.010000 1.383000 
1 1 1   46    6    4 o   19.380   0.4880   19.680   0.6448   19.090   0.7327 0.5914000 0.9760000 
1 1 1   46    6    5 o   42.350   0.4004   42.120   0.5591   42.580   0.5732 -0.4606000 0.8007000 
1 1 1   46    6    6 o   3.3590   1.0480   3.5940   1.5430   3.1230   1.4200 0.4712000 2.096000 
1 1 1   46    6    7 f   21.960   0.3706   22.560   0.5111   21.360   0.5369 1.200000 0.7412000 
1 1 1   46    6    8 o   18.430   0.4415   18.080   0.6202   18.790   0.6286 -0.7105000 0.8830000 
1 1 1   46    6    9 o   17.750   0.4617   17.470   0.6493   18.030   0.6566 -0.5569000 0.9234000 
1 1 1   46    6   10 o   11.740   0.6060   12.100   0.8300   11.380   0.8833 0.7196000 1.212000 
1 1 1   46    6   11 o   13.880   0.5356   12.790   0.8088   14.970   0.7025 -2.186000 1.071000 
1 1 1   46    6   12 o   14.600   0.5104   14.200   0.7287   15.010   0.7150 -0.8121000 1.021000 
1 1 1   46    6   13 o   6.4280   1.1610   4.6590   1.8080   8.1960   1.4580 -3.537000 2.323000 
1 1 1   46    6   14 o   12.290   0.7213   12.130   1.0570   12.450   0.9814 -0.3246000 1.443000 
1 1 1   46    6   15 o   3.6810   1.1290   2.8070   1.3680   4.5550   1.7960 -1.748000 2.258000 
1 1 1   46    6   16 o   9.1540   0.8837   9.7930   1.1240   8.5160   1.3640 1.277000 1.767000 
1 1 1   46    6   17 o   3.6270   1.1700   2.9080   1.4040   4.3450   1.8720 -1.437000 2.340000 
1 1 1   46    6   18 o   3.9910   1.2520   3.8030   1.6910   4.1790   1.8460 -0.3767000 2.503000 
1 1 1   46    6   19 o   4.6550   1.2540   5.3400   1.8240   3.9710   1.7210 1.368000 2.507000 
1 1 1   46    6   20 o   5.0850   1.2980   5.7330   1.8370   4.4360   1.8350 1.297000 2.597000 
1 1 1   46    6   21 o   11.330   0.8594   11.580   1.1710   11.080   1.2580 0.4996000 1.719000 
1 1 1   46    6   22 o   4.9940   1.2520   6.5150   1.9180   3.4730   1.6110 3.042000 2.505000 
1 1 1   46    6   23 o   3.7620   1.2110   4.3120   1.8680   3.2110   1.5400 1.101000 2.421000 
1 1 1   46    6   24 o   5.2300   1.3790   5.1430   1.9360   5.3170   1.9630 -0.1734000 2.757000 
1 1 1   46    6   25 o   2.9350   1.0280   3.1500   1.5420   2.7210   1.3610 0.4285000 2.057000 
1 1 1   46    6   26 o   2.2760   0.8149   2.2280   1.1310   2.3250   1.1730 -0.9652000E-01 1.630000 
1 1 1   46    8    0 o   11.750   0.6152   10.660   0.9547   12.840   0.7761 -2.181000 1.230000 
1 1 1   46    8    1 o   23.120   0.3050   22.550   0.4190   23.690   0.4433 -1.143000 0.6100000 
1 1 1   46    8    2 o   22.790   0.3159   22.940   0.4301   22.650   0.4628 0.2918000 0.6318000 
1 1 1   46    8    3 o   14.270   0.4484   14.790   0.6005   13.740   0.6660 1.043000 0.8967000 
1 1 1   46    8    4 o   15.990   0.5434   16.680   0.6851   15.290   0.8437 1.392000 1.087000 
1 1 1   46    8    5 o   6.3550   1.2040   4.5330   1.7630   8.1760   1.6410 -3.642000 2.408000 
1 1 1   46    8    6 o   12.470   0.5742   11.970   0.8307   12.970   0.7929 -0.9911000 1.148000 
1 1 1   46    8    7 o   19.310   0.4146   19.610   0.5733   19.010   0.5990 0.6039000 0.8291000 
1 1 1   46    8    8 o   17.370   0.4231   17.930   0.5741   16.810   0.6218 1.112000 0.8463000 
1 1 1   46    8    9 o   3.1890   1.0030   3.7540   1.5590   2.6240   1.2610 1.130000 2.005000 
1 1 1   46    8   10 o   13.850   0.5155   14.450   0.6905   13.240   0.7655 1.208000 1.031000 
1 1 1   46    8   11 o   11.200   0.6520   11.800   0.8650   10.610   0.9760 1.191000 1.304000 
1 1 1   46    8   12 o   4.8140   1.1250   6.1000   1.6340   3.5270   1.5480 2.573000 2.251000 
1 1 1   46    8   13 o   5.1810   1.3620   6.8230   2.1830   3.5390   1.6310 3.284000 2.725000 
1 1 1   46    8   14 f   11.030   0.7014   10.770   0.9940   11.290   0.9897 -0.5232000 1.403000 
1 1 1   46    8   15 o   6.0750   1.2260   5.9220   1.7270   6.2280   1.7390 -0.3053000 2.451000 
1 1 1   46    8   16 o   3.3000   1.0660   3.2390   1.4800   3.3610   1.5330 -0.1221000 2.131000 
1 1 1   46    8   17 o   3.3090   1.1000   3.7090   1.6690   2.9090   1.4330 0.7995000 2.200000 
1 1 1   46    8   18 o   4.2850   1.3090   3.9520   1.7340   4.6190   1.9610 -0.6675000 2.618000 
1 1 1   46    8   19 o   9.4720   0.9688   9.6980   1.2850   9.2460   1.4500 0.4522000 1.938000 
1 1 1   46    8   20 o   2.9940   1.0170   3.1530   1.4860   2.8360   1.3890 0.3165000 2.034000 
1 1 1   46    8   21 o   4.6530   1.1900   6.2640   1.8740   3.0410   1.4680 3.223000 2.380000 
1 1 1   46    8   22 o   3.1310   1.0730   2.8530   1.4090   3.4080   1.6180 -0.5548000 2.146000 
1 1 1   46    8   23 o   4.1760   1.2650   4.0520   1.7600   4.3000   1.8180 -0.2479000 2.530000 
1 1 1   46    8   24 o   3.1670   1.0680   3.0270   1.4620   3.3070   1.5560 -0.2806000 2.135000 
1 1 1   46    8   25 o   3.3860   1.1410   3.9810   1.8100   2.7910   1.3880 1.191000 2.281000 
1 1 1   46    8   26 o   2.7500   0.9834   2.9780   1.4880   2.5220   1.2860 0.4561000 1.967000 
1 1 1   46   10    0 o   29.950   0.2947   29.760   0.4082   30.140   0.4251 -0.3776000 0.5894000 
1 1 1   46   10    1 o   18.110   0.3541   18.000   0.4804   18.220   0.5203 -0.2208000 0.7081000 
1 1 1   46   10    2 o   11.680   0.5576   10.850   0.7965   12.520   0.7806 -1.673000 1.115000 
1 1 1   46   10    3 o   11.330   0.5952   11.640   0.7746   11.010   0.9039 0.6359000 1.190000 
1 1 1   46   10    4 o   9.5530   1.0080   10.390   1.0710   8.7150   1.7080 1.675000 2.017000 
1 1 1   46   10    5 o   20.970   0.3690   21.560   0.5114   20.370   0.5320 1.185000 0.7379000 
1 1 1   46   10    6 o   14.210   0.4781   14.490   0.6470   13.930   0.7042 0.5613000 0.9563000 
1 1 1   46   10    7 o   5.3460   1.1180   4.6390   1.6170   6.0530   1.5450 -1.414000 2.237000 
1 1 1   46   10    8 o   4.2190   1.1070   4.8220   1.6040   3.6170   1.5270 1.205000 2.214000 
1 1 1   46   10    9 o   7.2990   0.9802   6.6120   1.4660   7.9850   1.3010 -1.373000 1.960000 
1 1 1   46   10   10 o   3.8020   1.0680   4.7540   1.6580   2.8510   1.3450 1.902000 2.136000 
1 1 1   46   10   11 o   10.440   0.8019   10.870   1.1040   10.010   1.1630 0.8644000 1.604000 
1 1 1   46   10   12 o   3.4890   1.1350   3.4750   1.6120   3.5040   1.5980 -0.2933000E-01 2.270000 
1 1 1   46   10   13 o   4.3000   1.2460   4.7290   1.8720   3.8700   1.6460 0.8592000 2.493000 
1 1 1   46   10   14 o   5.4060   1.1540   6.8270   1.5950   3.9850   1.6680 2.842000 2.308000 
1 1 1   46   10   15 o   5.2370   1.2660   5.6760   1.7720   4.7970   1.8100 0.8795000 2.533000 
1 1 1   46   10   16 o   7.6040   1.1420   7.6230   1.5710   7.5860   1.6570 0.3617000E-01 2.283000 
1 1 1   46   10   17 o   7.3080   1.3900   6.2680   1.9580   8.3480   1.9730 -2.080000 2.780000 
1 1 1   46   10   18 o   5.0720   1.2980   5.3670   1.8290   4.7770   1.8420 0.5900000 2.596000 
1 1 1   46   10   19 o   7.6530   1.1760   9.1570   1.4060   6.1490   1.8860 3.008000 2.352000 
1 1 1   46   10   20 o   3.8770   1.1870   4.4810   1.8120   3.2740   1.5340 1.206000 2.374000 
1 1 1   46   10   21 o   4.1510   1.2320   5.4080   2.0120   2.8940   1.4230 2.514000 2.465000 
1 1 1   46   10   22 o   3.5680   1.1420   2.8680   1.4010   4.2680   1.8030 -1.401000 2.283000 
1 1 1   46   10   23 o   3.7780   1.1920   4.0950   1.7600   3.4600   1.6090 0.6348000 2.384000 
1 1 1   46   10   24 o   3.3990   1.1200   3.3810   1.5820   3.4170   1.5850 -0.3604000E-01 2.240000 
1 1 1   46   10   25 o   2.8710   1.0200   2.9470   1.4780   2.7960   1.4070 0.1502000 2.041000 
1 1 1   46   12    0 o   16.190   0.3714   16.620   0.4961   15.770   0.5528 0.8527000 0.7428000 
1 1 1   46   12    1 o   15.430   0.4077   14.830   0.5685   16.020   0.5846 -1.186000 0.8154000 
1 1 1   46   12    2 o   35.460   0.3125   35.370   0.4263   35.540   0.4571 -0.1682000 0.6250000 
1 1 1   46   12    3 o   4.3340   1.1750   3.5770   1.4920   5.0910   1.8150 -1.514000 2.350000 
1 1 1   46   12    4 o   14.190   0.4563   14.860   0.5830   13.530   0.7021 1.334000 0.9126000 
1 1 1   46   12    5 o   3.0550   0.9644   2.4730   1.1810   3.6370   1.5250 -1.164000 1.929000 
1 1 1   46   12    6 o   15.050   0.4524   15.450   0.5897   14.640   0.6862 0.8059000 0.9048000 
1 1 1   46   12    7 o   14.050   0.4915   14.460   0.6521   13.650   0.7355 0.8108000 0.9829000 
1 1 1   46   12    8 o   12.350   0.6214   12.120   0.8564   12.590   0.9006 -0.4726000 1.243000 
1 1 1   46   12    9 o   9.1520   0.8609   8.5800   1.2580   9.7230   1.1760 -1.143000 1.722000 
1 1 1   46   12   10 o   4.1590   1.1540   4.3870   1.6370   3.9310   1.6250 0.4560000 2.307000 
1 1 1   46   12   11 o   3.2900   1.0290   4.0260   1.6330   2.5550   1.2510 1.471000 2.057000 
1 1 1   46   12   12 o   6.1920   1.3490   5.9500   1.9470   6.4350   1.8680 -0.4851000 2.698000 
1 1 1   46   12   13 o   5.0070   1.1020   3.1100   1.4410   6.9050   1.6670 -3.794000 2.204000 
1 1 1   46   12   14 o   3.0470   1.0020   3.6230   1.5870   2.4700   1.2250 1.152000 2.005000 
1 1 1   46   12   15 o   4.7300   1.2390   5.3830   1.7930   4.0770   1.7090 1.306000 2.477000 
1 1 1   46   12   16 o   3.0680   1.0550   2.8700   1.4040   3.2670   1.5750 -0.3963000 2.110000 
1 1 1   46   12   17 o   4.8810   1.3850   4.3780   1.8230   5.3840   2.0840 -1.006000 2.769000 
1 1 1   46   12   18 o   3.2570   1.0790   3.1130   1.4740   3.4010   1.5770 -0.2886000 2.159000 
1 1 1   46   12   19 o   3.6590   1.1790   4.0590   1.7710   3.2590   1.5570 0.7993000 2.358000 
1 1 1   46   12   20 o   4.8100   1.2690   6.2830   1.9840   3.3370   1.5840 2.946000 2.539000 
1 1 1   46   12   21 o   4.2300   1.2720   4.2720   1.8090   4.1870   1.7890 0.8493000E-01 2.544000 
1 1 1   46   12   22 o   2.5200   0.8916   2.4620   1.2350   2.5780   1.2860 -0.1155000 1.783000 
1 1 1   46   12   23 f   3.1960   1.0740   3.1490   1.5040   3.2430   1.5330 -0.9417000E-01 2.147000 
1 1 1   46   12   24 o   2.5510   0.9200   2.6380   1.3420   2.4640   1.2590 0.1734000 1.840000 
1 1 1   46   14    0 o   10.850   0.5563   10.650   0.7794   11.060   0.7939 -0.4101000 1.113000 
1 1 1   46   14    1 o   26.540   0.3724   27.070   0.4902   26.010   0.5607 1.058000 0.7448000 
1 1 1   46   14    2 o   16.520   0.4238   17.000   0.5858   16.030   0.6125 0.9710000 0.8475000 
1 1 1   46   14    3 o   21.700   0.3474   21.790   0.4637   21.610   0.5173 0.1744000 0.6947000 
1 1 1   46   14    4 o   14.270   0.4967   14.960   0.6592   13.580   0.7431 1.380000 0.9933000 
1 1 1   46   14    5 o   4.7600   1.1830   4.5210   1.6170   5.0000   1.7260 -0.4784000 2.365000 
1 1 1   46   14    6 o   8.0950   0.9448   9.5850   0.9959   6.6050   1.6060 2.980000 1.890000 
1 1 1   46   14    7 o   8.7650   0.8026   9.4610   0.9802   8.0690   1.2710 1.392000 1.605000 
1 1 1   46   14    8 o   3.5290   1.0620   2.7770   1.3050   4.2810   1.6760 -1.504000 2.124000 
1 1 1   46   14    9 o   3.6150   1.0700   2.5740   1.2460   4.6560   1.7400 -2.082000 2.140000 
1 1 1   46   14   10 o   4.2980   1.0600   2.5040   1.2240   6.0910   1.7310 -3.586000 2.120000 
1 1 1   46   14   11 o   3.8770   1.2240   4.0530   1.7820   3.7020   1.6780 0.3509000 2.448000 
1 1 1   46   14   12 o   11.110   0.7447   10.930   1.0470   11.290   1.0600 -0.3592000 1.489000 
1 1 1   46   14   13 o   4.5400   1.2410   4.4130   1.7370   4.6680   1.7720 -0.2549000 2.481000 
1 1 1   46   14   14 o   6.2930   1.2170   5.2870   1.7890   7.3000   1.6510 -2.014000 2.434000 
1 1 1   46   14   15 o   4.8420   1.2720   3.9240   1.6960   5.7600   1.8970 -1.837000 2.545000 
1 1 1   46   14   16 o   7.1690   1.3660   8.6360   1.7180   5.7010   2.1240 2.935000 2.732000 
1 1 1   46   14   17 o   3.9810   1.2090   4.3870   1.7930   3.5760   1.6240 0.8111000 2.419000 
1 1 1   46   14   18 o   3.7340   1.1920   3.0050   1.4630   4.4630   1.8810 -1.459000 2.383000 
1 1 1   46   14   19 o   3.3610   1.1100   3.4430   1.5880   3.2790   1.5510 0.1643000 2.219000 
1 1 1   46   14   20 o   3.8240   1.1930   4.4360   1.8350   3.2120   1.5260 1.224000 2.387000 
1 1 1   46   14   21 o   3.2680   1.0870   3.5130   1.6160   3.0230   1.4540 0.4897000 2.174000 
1 1 1   46   14   22 o   2.9550   1.0080   2.8060   1.3750   3.1040   1.4760 -0.2982000 2.017000 
1 1 1   46   14   23 o   2.5270   0.9027   2.2310   1.1400   2.8230   1.4000 -0.5920000 1.805000 
1 1 1   46   16    0 o   6.4630   1.0550   6.1890   1.4880   6.7360   1.4950 -0.5466000 2.110000 
1 1 1   46   16    1 o   13.620   0.5148   13.610   0.7087   13.630   0.7468 -0.1809000E-01 1.030000 
1 1 1   46   16    2 o   6.0480   1.0970   6.8140   1.4100   5.2810   1.6820 1.533000 2.195000 
1 1 1   46   16    3 o   17.100   0.4265   16.940   0.5782   17.260   0.6271 -0.3116000 0.8530000 
1 1 1   46   16    4 o   16.350   0.4474   16.720   0.5767   15.980   0.6842 0.7439000 0.8948000 
1 1 1   46   16    5 o   7.6730   0.9556   8.6070   1.0980   6.7380   1.5640 1.869000 1.911000 
1 1 1   46   16    6 o   5.2310   1.1660   5.6840   1.5670   4.7780   1.7280 0.9059000 2.333000 
1 1 1   46   16    7 o   13.140   0.5703   13.050   0.7432   13.230   0.8653 -0.1809000 1.141000 
1 1 1   46   16    8 o   8.9950   0.8717   9.3770   1.0910   8.6140   1.3600 0.7626000 1.743000 
1 1 1   46   16    9 o   5.0540   1.0600   7.2050   1.5750   2.9020   1.4190 4.303000 2.120000 
1 1 1   46   16   10 o   3.6900   1.1970   3.8620   1.7420   3.5180   1.6420 0.3441000 2.394000 
1 1 1   46   16   11 o   8.2310   1.0480   7.0330   1.6340   9.4300   1.3120 -2.396000 2.095000 
1 1 1   46   16   12 o   3.9550   1.1700   3.0930   1.4500   4.8180   1.8360 -1.725000 2.340000 
1 1 1   46   16   13 o   3.5990   1.1390   3.6800   1.6210   3.5170   1.6020 0.1630000 2.279000 
1 1 1   46   16   14 o   9.6760   0.9508   10.100   1.2510   9.2530   1.4320 0.8469000 1.902000 
1 1 1   46   16   15 f   3.7640   1.2230   4.0580   1.7900   3.4700   1.6660 0.5871000 2.446000 
1 1 1   46   16   16 o   3.1190   1.0660   3.0750   1.4810   3.1630   1.5350 -0.8882000E-01 2.133000 
1 1 1   46   16   17 o   4.2060   1.2340   3.0900   1.4740   5.3220   1.9800 -2.232000 2.468000 
1 1 1   46   16   18 o   4.3200   1.2120   5.6150   1.9290   3.0260   1.4690 2.590000 2.425000 
1 1 1   46   16   19 o   3.0580   1.0390   3.4470   1.5990   2.6700   1.3260 0.7766000 2.078000 
1 1 1   46   16   20 o   2.6560   0.9302   2.7820   1.3660   2.5300   1.2630 0.2518000 1.860000 
1 1 1   46   16   21 o   3.0280   1.0480   3.2960   1.5830   2.7600   1.3730 0.5356000 2.095000 
1 1 1   46   16   22 o   2.2470   0.8173   2.0940   1.0750   2.3990   1.2320 -0.3050000 1.635000 
1 1 1   46   18    0 o   8.9570   0.7623   8.4700   1.0950   9.4450   1.0600 -0.9750000 1.525000 
1 1 1   46   18    1 o   4.7000   1.1020   5.7220   1.5640   3.6770   1.5530 2.046000 2.204000 
1 1 1   46   18    2 o   8.1790   0.8665   8.1790   1.1900   8.1790   1.2600 0.3986000E-03 1.733000 
1 1 1   46   18    3 o   4.5930   1.1450   5.1640   1.6190   4.0220   1.6200 1.142000 2.290000 
1 1 1   46   18    4 o   13.580   0.5424   13.450   0.7369   13.710   0.7960 -0.2622000 1.085000 
1 1 1   46   18    5 o   3.5310   1.0750   2.7530   1.2990   4.3090   1.7140 -1.556000 2.151000 
1 1 1   46   18    6 o   3.3710   1.0650   3.4810   1.5170   3.2610   1.4940 0.2201000 2.129000 
1 1 1   46   18    7 o   9.4290   0.8557   8.7550   1.2290   10.100   1.1910 -1.348000 1.711000 
1 1 1   46   18    8 o   4.4750   1.2950   5.2000   1.9480   3.7500   1.7070 1.450000 2.590000 
1 1 1   46   18    9 o   5.4750   1.3260   4.7490   1.9100   6.2010   1.8410 -1.452000 2.653000 
1 1 1   46   18   10 o   7.9500   1.0990   6.4340   1.7150   9.4650   1.3740 -3.031000 2.198000 
1 1 1   46   18   11 o   3.4840   1.1160   3.0530   1.4460   3.9150   1.7010 -0.8628000 2.232000 
1 1 1   46   18   12 o   4.0550   1.2070   3.3080   1.5320   4.8020   1.8660 -1.494000 2.414000 
1 1 1   46   18   13 o   11.750   0.8721   12.380   1.0920   11.120   1.3600 1.265000 1.744000 
1 1 1   46   18   14 o   5.5760   1.5200   6.2740   2.1770   4.8770   2.1210 1.398000 3.039000 
1 1 1   46   18   15 o   3.9190   1.2180   3.4560   1.5980   4.3830   1.8370 -0.9273000 2.435000 
1 1 1   46   18   16 o   5.4600   1.3690   4.9580   1.8970   5.9620   1.9760 -1.005000 2.739000 
1 1 1   46   18   17 o   5.1500   1.3520   4.9980   1.8810   5.3020   1.9410 -0.3039000 2.703000 
1 1 1   46   18   18 o   2.8040   0.9715   2.9270   1.4190   2.6800   1.3280 0.2464000 1.943000 
1 1 1   46   18   19 o   3.4120   1.0830   2.1960   1.1150   4.6280   1.8560 -2.431000 2.165000 
1 1 1   46   18   20 o   2.3820   0.8557   2.2220   1.1340   2.5420   1.2820 -0.3203000 1.711000 
1 1 1   46   20    0 o   12.390   0.6037   12.680   0.7960   12.110   0.9079 0.5778000 1.207000 
1 1 1   46   20    1 o   7.4420   1.0120   6.7510   1.5050   8.1340   1.3530 -1.383000 2.024000 
1 1 1   46   20    2 o   24.810   0.3683   24.630   0.5060   24.990   0.5354 -0.3578000 0.7366000 
1 1 1   46   20    3 o   4.7000   1.1220   3.0760   1.4190   6.3240   1.7380 -3.247000 2.243000 
1 1 1   46   20    4 o   5.6960   1.2040   6.3000   1.6020   5.0910   1.7980 1.209000 2.408000 
1 1 1   46   20    5 o   11.510   0.7231   12.100   0.9109   10.920   1.1230 1.182000 1.446000 
1 1 1   46   20    6 o   3.9200   1.2490   3.7340   1.6980   4.1050   1.8310 -0.3710000 2.498000 
1 1 1   46   20    7 o   7.2530   1.4210   7.5080   1.9340   6.9970   2.0820 0.5111000 2.841000 
1 1 1   46   20    8 o   10.480   0.8695   8.9410   1.3460   12.030   1.1010 -3.085000 1.739000 
1 1 1   46   20    9 o   5.3220   1.3980   4.8320   1.7990   5.8110   2.1400 -0.9789000 2.796000 
1 1 1   46   20   10 o   8.0840   1.3130   9.2970   1.4880   6.8700   2.1640 2.427000 2.626000 
1 1 1   46   20   11 o   6.4190   1.3490   7.9160   1.7410   4.9230   2.0600 2.993000 2.698000 
1 1 1   46   20   12 o   12.860   1.1360   12.400   1.2010   13.310   1.9270 -0.9093000 2.271000 
1 1 1   46   20   13 o   11.150   1.4100   11.380   1.3350   10.910   2.4840 0.4711000 2.820000 
1 1 1   46   20   14 o   3.7200   1.2060   3.8510   1.7040   3.5890   1.7060 0.2615000 2.412000 
1 1 1   46   20   15 o   3.0860   1.0610   3.0640   1.4700   3.1080   1.5290 -0.4370000E-01 2.121000 
1 1 1   46   20   16 o   2.5990   0.9298   2.2580   1.1430   2.9410   1.4670 -0.6835000 1.860000 
1 1 1   46   20   17 o   2.8030   0.9870   2.9020   1.4260   2.7050   1.3650 0.1968000 1.974000 
1 1 1   46   20   18 o   2.5930   0.9271   2.2950   1.1650   2.8900   1.4420 -0.5953000 1.854000 
1 1 1   46   22    0 o   9.9300   0.8341   10.710   1.0230   9.1520   1.3180 1.557000 1.668000 
1 1 1   46   22    1 o   3.9310   1.1970   4.0320   1.6610   3.8310   1.7250 0.2013000 2.395000 
1 1 1   46   22    2 o   6.6840   1.3220   6.5050   1.6670   6.8640   2.0520 -0.3590000 2.644000 
1 1 1   46   22    3 o   3.7860   1.2490   4.0430   1.8000   3.5290   1.7340 0.5145000 2.499000 
1 1 1   46   22    4 o   4.1180   1.3490   3.7190   1.7140   4.5180   2.0840 -0.7988000 2.698000 
1 1 1   46   22    5 o   4.3130   1.2920   3.4530   1.5760   5.1730   2.0470 -1.719000 2.583000 
1 1 1   46   22    6 o   7.5980   1.3650   7.2670   1.7710   7.9280   2.0760 -0.6614000 2.729000 
1 1 1   46   22    7 o   6.9260   1.4060   7.4620   1.8060   6.3890   2.1560 1.073000 2.812000 
1 1 1   46   22    8 o   2.8700   0.9893   3.0700   1.4540   2.6700   1.3420 0.4005000 1.979000 
1 1 1   46   22    9 o   4.6310   1.3480   4.7000   1.8350   4.5620   1.9750 0.1386000 2.696000 
1 1 1   46   22   10 o   3.9850   1.2840   4.4480   1.8880   3.5220   1.7400 0.9255000 2.567000 
1 1 1   46   22   11 o   3.7900   1.2880   3.4350   1.6130   4.1440   2.0070 -0.7090000 2.575000 
1 1 1   46   22   12 o   3.4840   1.1420   3.6360   1.6420   3.3320   1.5890 0.3038000 2.284000 
1 1 1   46   22   13 o   4.0280   1.2110   4.6740   1.8360   3.3820   1.5800 1.292000 2.422000 
1 1 1   46   22   14 o   2.6850   0.9347   2.9290   1.4100   2.4410   1.2270 0.4885000 1.869000 
1 1 1   46   22   15 o   2.5280   0.8992   2.4360   1.2270   2.6200   1.3140 -0.1840000 1.798000 
1 1 1   46   22   16 o   2.3680   0.8470   2.2280   1.1280   2.5070   1.2640 -0.2784000 1.694000 
1 1 1   46   24    0 o   5.8550   1.6440   5.2940   2.1480   6.4160   2.4910 -1.122000 3.289000 
1 1 1   46   24    1 o   5.7860   1.4230   5.2690   1.8910   6.3020   2.1280 -1.033000 2.847000 
1 1 1   46   24    2 o   3.9290   1.1700   4.8040   1.7970   3.0540   1.4970 1.750000 2.339000 
1 1 1   46   24    3 o   9.2080   1.0520   9.9900   1.2100   8.4270   1.7210 1.562000 2.104000 
1 1 1   46   24    4 o   8.5970   1.1300   10.590   1.1590   6.6000   1.9400 3.994000 2.260000 
1 1 1   46   24    5 o   8.5580   1.0700   8.5330   1.4910   8.5820   1.5370 -0.4851000E-01 2.141000 
1 1 1   46   24    6 o   3.0750   1.0350   3.3050   1.5380   2.8450   1.3870 0.4605000 2.071000 
1 1 1   46   24    7 o   4.0400   1.2180   4.4970   1.8020   3.5820   1.6380 0.9150000 2.435000 
1 1 1   46   24    8 o   5.9220   1.4430   5.3830   1.9780   6.4610   2.1020 -1.078000 2.886000 
1 1 1   46   24    9 o   4.0350   1.2710   3.5320   1.6450   4.5380   1.9370 -1.006000 2.541000 
1 1 1   46   24   10 o   2.8550   0.9813   3.0870   1.4660   2.6240   1.3040 0.4631000 1.963000 
1 1 1   46   24   11 o   2.2550   0.8129   2.1770   1.1110   2.3330   1.1870 -0.1563000 1.626000 
1 1 1   46   24   12 o   2.8760   1.0040   2.5900   1.2960   3.1610   1.5330 -0.5717000 2.007000 
1 1 1   46   24   13 o   2.3910   0.8507   2.2430   1.1340   2.5380   1.2690 -0.2956000 1.701000 
1 1 1   46   26    0 o   7.2280   1.2200   7.4750   1.6440   6.9810   1.8040 0.4947000 2.441000 
1 1 1   46   26    1 o   3.3930   1.1010   3.0430   1.4430   3.7430   1.6620 -0.7003000 2.201000 
1 1 1   46   26    2 o   3.6900   1.1610   3.5360   1.5930   3.8450   1.6880 -0.3093000 2.321000 
1 1 1   46   26    3 o   4.5740   1.2780   4.4960   1.7770   4.6520   1.8360 -0.1553000 2.555000 
1 1 1   46   26    4 o   6.9890   1.2090   8.3980   1.5040   5.5800   1.8940 2.819000 2.419000 
1 1 1   46   26    5 o   2.2370   0.8060   2.2460   1.1420   2.2280   1.1380 0.1783000E-01 1.612000 
1 1 1   46   26    6 o   3.3390   1.1470   3.1810   1.5520   3.4980   1.6900 -0.3170000 2.294000 
1 1 1   46   26    7 o   3.4960   1.1270   4.3430   1.8270   2.6480   1.3210 1.695000 2.255000 
1 1 1   46   26    8 o   3.0700   1.0450   2.4910   1.2470   3.6490   1.6770 -1.158000 2.090000 
1 1 1   46   26    9 o   2.7760   0.9541   2.1940   1.1080   3.3570   1.5540 -1.163000 1.908000 
1 1 1   46   26   10 o   2.2170   0.8049   2.0940   1.0760   2.3410   1.1970 -0.2470000 1.610000 
1 1 1   46   28    0 o   2.5250   0.9057   2.6560   1.3380   2.3940   1.2210 0.2612000 1.811000 
1 1 1   46   28    1 o   2.4050   0.8750   2.5450   1.3040   2.2660   1.1680 0.2795000 1.750000 
1 1 1   46   28    2 o   3.1540   1.0810   2.9770   1.4430   3.3310   1.6100 -0.3540000 2.162000 
1 1 1   46   28    3 o   2.4140   0.8513   2.0690   1.0500   2.7590   1.3410 -0.6899000 1.703000 
1 1 1   46   28    4 o   3.3280   1.1000   4.2110   1.8190   2.4460   1.2360 1.765000 2.199000 
1 1 1   47    1    0 o   13.950   0.4703   13.580   0.6730   14.310   0.6572 -0.7250000 0.9407000 
1 1 1   47    1    1 o   18.690   0.4557   18.970   0.6657   18.410   0.6225 0.5688000 0.9114000 
1 1 1   47    1    2 o   9.8750   0.8475   10.300   1.2160   9.4490   1.1810 0.8534000 1.695000 
1 1 1   47    1    3 o   10.730   0.8987   12.430   0.9506   9.0340   1.5250 3.392000 1.797000 
1 1 1   47    1    4 o   5.5030   1.1480   6.2660   1.5960   4.7390   1.6500 1.528000 2.295000 
1 1 1   47    1    5 o   10.280   0.6963   10.840   0.9404   9.7120   1.0270 1.133000 1.393000 
1 1 1   47    1    6 o   25.600   0.3435   25.490   0.4898   25.700   0.4816 -0.2085000 0.6869000 
1 1 1   47    1    7 o   6.5400   1.0870   5.5830   1.6720   7.4980   1.3900 -1.916000 2.174000 
1 1 1   47    1    8 o   13.320   0.5379   13.900   0.7304   12.730   0.7899 1.176000 1.076000 
1 1 1   47    1    9 o   7.4040   0.9798   8.0560   1.2930   6.7510   1.4730 1.305000 1.960000 
1 1 1   47    1   10 o   12.360   0.5905   12.090   0.8593   12.630   0.8101 -0.5489000 1.181000 
1 1 1   47    1   11 o   4.0010   1.1390   4.8670   1.7520   3.1360   1.4570 1.731000 2.278000 
1 1 1   47    1   12 o   13.540   0.7234   13.610   1.0420   13.470   1.0040 0.1406000 1.447000 
1 1 1   47    1   13 o   10.550   1.0030   8.9300   1.8090   12.180   0.8666 -3.247000 2.006000 
1 1 1   47    1   14 o   14.370   0.6718   15.100   1.0900   13.630   0.7852 1.472000 1.344000 
1 1 1   47    1   15 o   11.920   0.7899   12.110   1.2920   11.730   0.9091 0.3781000 1.580000 
1 1 1   47    1   16 o   3.6660   1.1900   3.9490   1.7950   3.3830   1.5640 0.5652000 2.381000 
1 1 1   47    1   17 o   5.3790   1.5290   4.7100   2.1340   6.0480   2.1910 -1.338000 3.058000 
1 1 1   47    1   18 o   6.1690   1.3840   7.4040   2.1100   4.9340   1.7920 2.470000 2.768000 
1 1 1   47    1   19 o   5.4620   1.3660   4.8220   2.0480   6.1020   1.8090 -1.280000 2.733000 
1 1 1   47    1   20 o   5.4460   1.4420   5.6180   2.1870   5.2740   1.8790 0.3438000 2.884000 
1 1 1   47    1   21 o   3.7210   1.2180   3.7170   1.7840   3.7250   1.6600 -0.8881000E-02 2.437000 
1 1 1   47    1   22 f   3.5570   1.1970   3.6890   1.7850   3.4250   1.5960 0.2637000 2.394000 
1 1 1   47    1   23 o   3.9990   1.2660   4.1270   1.8500   3.8710   1.7280 0.2561000 2.532000 
1 1 1   47    1   24 o   4.8450   1.3790   5.6170   2.0650   4.0740   1.8270 1.543000 2.757000 
1 1 1   47    1   25 o   3.1780   1.1060   3.2270   1.5980   3.1290   1.5280 0.9830000E-01 2.211000 
1 1 1   47    1   26 o   2.4540   0.8743   2.3000   1.1720   2.6080   1.2970 -0.3083000 1.749000 
1 1 1   47    3    0 o   27.630   0.3440   27.080   0.5451   28.180   0.4199 -1.099000 0.6880000 
1 1 1   47    3    1 o   12.900   0.6050   11.960   1.0210   13.840   0.6493 -1.875000 1.210000 
1 1 1   47    3    2 o   9.7840   0.8301   9.3690   1.4020   10.200   0.8896 -0.8305000 1.660000 
1 1 1   47    3    3 o   4.5440   1.2370   5.0460   1.9070   4.0420   1.5750 1.005000 2.473000 
1 1 1   47    3    4 o   7.2910   1.4980   8.0070   2.3040   6.5740   1.9160 1.433000 2.997000 
1 1 1   47    3    5 o   3.0970   1.0320   4.0420   1.7630   2.1530   1.0750 1.889000 2.064000 
1 1 1   47    3    6 o   7.1110   1.1720   7.2760   1.8810   6.9450   1.3980 0.3303000 2.344000 
1 1 1   47    3    7 f   13.400   0.6613   12.370   1.1270   14.420   0.6917 -2.052000 1.323000 
1 1 1   47    3    8 o   18.050   0.5048   17.920   0.8212   18.190   0.5873 -0.2620000 1.010000 
1 1 1   47    3    9 o   6.5720   1.2380   7.4220   1.8460   5.7230   1.6510 1.699000 2.476000 
1 1 1   47    3   10 o   20.030   0.4874   20.020   0.7669   20.040   0.6019 -0.2499000E-01 0.9749000 
1 1 1   47    3   11 o   3.0110   1.0250   3.4230   1.6100   2.5990   1.2680 0.8246000 2.049000 
1 1 1   47    3   12 o   8.9460   1.1580   9.1680   1.9050   8.7230   1.3180 0.4450000 2.317000 
1 1 1   47    3   13 o   7.6330   1.3050   7.0290   2.1860   8.2380   1.4270 -1.209000 2.611000 
1 1 1   47    3   14 o   13.020   0.6798   12.570   1.0910   13.460   0.8107 -0.8840000 1.360000 
1 1 1   47    3   15 o   6.8790   1.2390   5.5310   1.9440   8.2270   1.5380 -2.696000 2.479000 
1 1 1   47    3   16 o   3.9420   1.2130   4.1760   1.7940   3.7080   1.6340 0.4685000 2.427000 
1 1 1   47    3   17 o   3.8140   1.2440   4.1720   1.8870   3.4550   1.6230 0.7168000 2.489000 
1 1 1   47    3   18 o   4.7050   1.2920   4.1970   1.8270   5.2130   1.8270 -1.016000 2.583000 
1 1 1   47    3   19 o   2.7320   0.9546   2.7940   1.3850   2.6700   1.3140 0.1243000 1.909000 
1 1 1   47    3   20 o   4.9370   1.3500   4.9550   1.9470   4.9190   1.8690 0.3681000E-01 2.699000 
1 1 1   47    3   21 o   3.4080   1.1390   3.8220   1.7620   2.9950   1.4430 0.8271000 2.278000 
1 1 1   47    3   22 o   3.2820   1.1010   2.9900   1.4750   3.5740   1.6360 -0.5840000 2.202000 
1 1 1   47    3   23 o   5.0590   1.2470   3.3850   1.6270   6.7330   1.8900 -3.348000 2.494000 
1 1 1   47    3   24 o   3.6630   1.2340   3.7220   1.7910   3.6030   1.7000 0.1194000 2.469000 
1 1 1   47    3   25 o   3.4560   1.1750   3.1860   1.5800   3.7270   1.7380 -0.5413000 2.349000 
1 1 1   47    3   26 o   2.5070   0.8979   2.9340   1.4470   2.0790   1.0630 0.8542000 1.796000 
1 1 1   47    5    0 o   22.770   0.3748   21.790   0.5686   23.740   0.4884 -1.959000 0.7496000 
1 1 1   47    5    1 o   22.460   0.3160   21.820   0.4463   23.100   0.4475 -1.273000 0.6320000 
1 1 1   47    5    2 o   14.280   0.4440   13.900   0.6412   14.650   0.6144 -0.7514000 0.8880000 
1 1 1   47    5    3 o   4.0440   1.1090   4.2530   1.6110   3.8360   1.5250 0.4170000 2.219000 
1 1 1   47    5    4 o   15.200   0.6012   14.920   0.8255   15.490   0.8744 -0.5784000 1.202000 
1 1 1   47    5    5 o   12.050   0.8278   11.370   1.0630   12.730   1.2700 -1.355000 1.656000 
1 1 1   47    5    6 o   12.900   0.5492   13.020   0.7904   12.770   0.7627 0.2516000 1.098000 
1 1 1   47    5    7 o   4.8100   1.1360   5.7530   1.6440   3.8660   1.5690 1.887000 2.273000 
1 1 1   47    5    8 o   18.430   0.4194   18.320   0.6235   18.550   0.5612 -0.2370000 0.8389000 
1 1 1   47    5    9 o   3.3530   1.0450   3.8990   1.6090   2.8080   1.3350 1.092000 2.091000 
1 1 1   47    5   10 o   13.140   0.5476   12.990   0.7967   13.300   0.7514 -0.3082000 1.095000 
1 1 1   47    5   11 o   10.610   0.6683   10.320   0.9749   10.910   0.9145 -0.5912000 1.337000 
1 1 1   47    5   12 o   4.3480   1.0800   5.7600   1.6680   2.9350   1.3740 2.825000 2.161000 
1 1 1   47    5   13 o   4.1470   1.2010   4.9240   1.8420   3.3700   1.5400 1.554000 2.401000 
1 1 1   47    5   14 o   3.8920   1.1760   3.3210   1.5470   4.4620   1.7720 -1.141000 2.352000 
1 1 1   47    5   15 o   4.2060   1.2300   4.9470   1.8830   3.4660   1.5820 1.481000 2.460000 
1 1 1   47    5   16 o   3.1470   1.0320   3.1150   1.4460   3.1790   1.4740 -0.6405000E-01 2.065000 
1 1 1   47    5   17 o   3.7310   1.1960   3.2910   1.5370   4.1710   1.8340 -0.8791000 2.393000 
1 1 1   47    5   18 o   4.2440   1.2760   4.8010   1.8870   3.6860   1.7190 1.115000 2.553000 
1 1 1   47    5   19 o   3.9710   1.1270   5.2110   1.8120   2.7320   1.3400 2.478000 2.254000 
1 1 1   47    5   20 o   4.8680   1.2580   5.8400   1.8400   3.8960   1.7180 1.944000 2.517000 
1 1 1   47    5   21 o   3.8490   1.1860   3.0160   1.4480   4.6820   1.8790 -1.666000 2.372000 
1 1 1   47    5   22 o   4.5310   1.3050   4.8070   1.8950   4.2550   1.7940 0.5521000 2.610000 
1 1 1   47    5   23 o   3.3250   1.1180   2.8530   1.4100   3.7980   1.7350 -0.9444000 2.235000 
1 1 1   47    5   24 f   4.1570   1.2650   4.1490   1.7840   4.1650   1.7930 -0.1638000E-01 2.530000 
1 1 1   47    5   25 o   3.7340   1.2190   3.0910   1.5180   4.3770   1.9060 -1.286000 2.437000 
1 1 1   47    5   26 o   2.6680   0.9328   2.7600   1.3570   2.5760   1.2800 0.1846000 1.866000 
1 1 1   47    7    0 o   12.670   0.5171   12.640   0.7646   12.700   0.6964 -0.5976000E-01 1.034000 
1 1 1   47    7    1 o   10.920   0.5241   10.180   0.7670   11.670   0.7145 -1.490000 1.048000 
1 1 1   47    7    2 o   19.640   0.3361   19.490   0.4651   19.790   0.4853 -0.2937000 0.6722000 
1 1 1   47    7    3 o   11.260   0.5606   11.870   0.7358   10.650   0.8459 1.219000 1.121000 
1 1 1   47    7    4 o   3.4090   1.1040   3.2680   1.4960   3.5500   1.6240 -0.2824000 2.208000 
1 1 1   47    7    5 o   24.240   0.4200   24.560   0.5576   23.920   0.6283 0.6418000 0.8400000 
1 1 1   47    7    6 o   34.390   0.3335   34.740   0.4874   34.030   0.4554 0.7106000 0.6670000 
1 1 1   47    7    7 o   3.9310   1.1220   4.5110   1.6680   3.3500   1.5020 1.161000 2.245000 
1 1 1   47    7    8 o   8.8430   0.8276   9.1500   1.0750   8.5370   1.2590 0.6134000 1.655000 
1 1 1   47    7    9 o   12.880   0.5541   12.570   0.7921   13.190   0.7750 -0.6188000 1.108000 
1 1 1   47    7   10 o   5.6780   1.1550   6.0150   1.5970   5.3410   1.6670 0.6748000 2.309000 
1 1 1   47    7   11 o   9.9100   0.7389   10.410   0.9967   9.4150   1.0910 0.9901000 1.478000 
1 1 1   47    7   12 o   5.9410   1.0570   3.9640   1.6200   7.9180   1.3580 -3.955000 2.114000 
1 1 1   47    7   13 o   8.8320   1.2630   10.160   1.7390   7.5000   1.8320 2.665000 2.526000 
1 1 1   47    7   14 o   4.7530   1.2590   5.5120   1.8630   3.9940   1.6950 1.518000 2.519000 
1 1 1   47    7   15 o   6.4920   1.1550   5.4450   1.7300   7.5400   1.5310 -2.095000 2.311000 
1 1 1   47    7   16 o   3.7250   1.1400   3.5150   1.5630   3.9360   1.6590 -0.4208000 2.279000 
1 1 1   47    7   17 o   4.5110   1.2930   3.3420   1.5580   5.6800   2.0650 -2.338000 2.586000 
1 1 1   47    7   18 o   7.9160   1.1550   9.0860   1.3810   6.7470   1.8520 2.340000 2.310000 
1 1 1   47    7   19 o   3.3810   1.0980   2.9030   1.3920   3.8590   1.7000 -0.9561000 2.197000 
1 1 1   47    7   20 o   2.5430   0.8954   2.5260   1.2550   2.5590   1.2770 -0.3306000E-01 1.791000 
1 1 1   47    7   21 o   4.8130   1.3210   4.3270   1.8020   5.2980   1.9320 -0.9704000 2.641000 
1 1 1   47    7   22 o   7.9290   1.3630   8.4050   1.8510   7.4520   2.0000 0.9531000 2.726000 
1 1 1   47    7   23 o   3.2970   1.1030   2.6550   1.3150   3.9390   1.7710 -1.284000 2.206000 
1 1 1   47    7   24 o   3.5010   1.1460   3.2860   1.5540   3.7170   1.6860 -0.4316000 2.293000 
1 1 1   47    7   25 o   6.1690   1.4870   5.7330   2.1110   6.6050   2.0960 -0.8715000 2.975000 
1 1 1   47    9    0 o   11.830   0.5798   11.560   0.9532   12.100   0.6604 -0.5414000 1.160000 
1 1 1   47    9    1 f   9.7470   0.5793   9.3140   0.8257   10.180   0.8128 -0.8662000 1.159000 
1 1 1   47    9    2 o   20.850   0.3297   20.670   0.4532   21.030   0.4790 -0.3637000 0.6594000 
1 1 1   47    9    3 f   21.460   0.3492   21.930   0.4972   21.000   0.4904 0.9279000 0.6984000 
1 1 1   47    9    4 o   4.1730   1.2520   4.0510   1.6840   4.2960   1.8530 -0.2453000 2.504000 
1 1 1   47    9    5 o   11.930   0.5938   12.950   0.7443   10.920   0.9254 2.030000 1.188000 
1 1 1   47    9    6 o   4.4570   1.1210   4.9540   1.5970   3.9610   1.5740 0.9928000 2.242000 
1 1 1   47    9    7 o   8.8030   0.7955   9.6510   0.9736   7.9550   1.2580 1.696000 1.591000 
1 1 1   47    9    8 o   8.7910   0.7885   8.4810   1.1460   9.1000   1.0830 -0.6185000 1.577000 
1 1 1   47    9    9 o   4.4540   1.0600   5.7930   1.5760   3.1150   1.4200 2.678000 2.121000 
1 1 1   47    9   10 o   3.3340   1.0270   3.8900   1.5740   2.7780   1.3210 1.112000 2.055000 
1 1 1   47    9   11 o   3.8450   1.1630   3.8300   1.6530   3.8610   1.6360 -0.3028000E-01 2.326000 
1 1 1   47    9   12 o   12.680   0.8856   12.080   1.4160   13.280   1.0640 -1.196000 1.771000 
1 1 1   47    9   13 o   4.8080   1.2550   6.0350   1.9210   3.5810   1.6160 2.454000 2.511000 
1 1 1   47    9   14 o   4.0630   1.1550   4.6230   1.7050   3.5040   1.5600 1.119000 2.311000 
1 1 1   47    9   15 o   3.7060   1.1410   3.7710   1.6210   3.6400   1.6080 0.1308000 2.283000 
1 1 1   47    9   16 o   4.0280   1.1980   4.1550   1.7110   3.9010   1.6770 0.2540000 2.396000 
1 1 1   47    9   17 o   3.6570   1.1920   3.7630   1.6940   3.5510   1.6780 0.2113000 2.384000 
1 1 1   47    9   18 o   5.0370   1.3050   4.5960   1.8020   5.4770   1.8880 -0.8815000 2.610000 
1 1 1   47    9   19 o   3.8210   1.1860   3.6070   1.6220   4.0350   1.7310 -0.4283000 2.372000 
1 1 1   47    9   20 o   4.5090   1.2590   3.6630   1.6480   5.3550   1.9050 -1.692000 2.518000 
1 1 1   47    9   21 f   7.5510   1.3360   8.7400   1.7150   6.3610   2.0490 2.379000 2.672000 
1 1 1   47    9   22 o   3.8700   1.2310   4.0740   1.7740   3.6670   1.7060 0.4071000 2.461000 
1 1 1   47    9   23 o   2.9950   1.0230   3.1000   1.4870   2.8900   1.4060 0.2094000 2.046000 
1 1 1   47    9   24 o   3.1880   1.0700   3.4580   1.6040   2.9170   1.4170 0.5411000 2.140000 
1 1 1   47    9   25 o   2.6350   0.9356   2.3310   1.1860   2.9390   1.4470 -0.6076000 1.871000 
1 1 1   47   11    0 o   11.990   0.5022   12.770   0.6377   11.210   0.7759 1.562000 1.004000 
1 1 1   47   11    1 o   8.9250   0.7183   7.1770   1.1650   10.670   0.8409 -3.495000 1.437000 
1 1 1   47   11    2 o   17.380   0.3653   17.570   0.4866   17.200   0.5449 0.3734000 0.7306000 
1 1 1   47   11    3 o   12.090   0.6255   11.530   0.8037   12.640   0.9586 -1.105000 1.251000 
1 1 1   47   11    4 o   5.8800   1.1940   5.6890   1.5490   6.0700   1.8180 -0.3809000 2.389000 
1 1 1   47   11    5 o   3.7620   1.0540   4.2050   1.5270   3.3190   1.4520 0.8859000 2.107000 
1 1 1   47   11    6 o   20.020   0.3708   19.800   0.5128   20.240   0.5356 -0.4354000 0.7415000 
1 1 1   47   11    7 o   4.2910   1.1240   3.9440   1.5410   4.6370   1.6380 -0.6927000 2.249000 
1 1 1   47   11    8 o   14.150   0.5032   13.770   0.7024   14.540   0.7207 -0.7695000 1.006000 
1 1 1   47   11    9 o   12.770   0.6119   12.820   0.8545   12.720   0.8762 0.1009000 1.224000 
1 1 1   47   11   10 o   4.3170   1.2040   4.5020   1.7230   4.1320   1.6810 0.3704000 2.407000 
1 1 1   47   11   11 o   8.2890   0.9174   9.1980   1.1130   7.3800   1.4590 1.818000 1.835000 
1 1 1   47   11   12 o   10.840   0.8796   12.010   1.1160   9.6760   1.3600 2.333000 1.759000 
1 1 1   47   11   13 o   5.9170   1.1900   6.7730   1.5790   5.0600   1.7810 1.713000 2.380000 
1 1 1   47   11   14 f   7.4980   1.1080   7.0760   1.6100   7.9200   1.5210 -0.8433000 2.215000 
1 1 1   47   11   15 o   3.5280   1.1220   3.4160   1.5540   3.6390   1.6170 -0.2231000 2.243000 
1 1 1   47   11   16 o   5.1980   1.3010   4.9770   1.7990   5.4180   1.8790 -0.4413000 2.601000 
1 1 1   47   11   17 o   7.9400   1.2870   6.0560   1.9450   9.8240   1.6850 -3.768000 2.574000 
1 1 1   47   11   18 o   3.4340   1.1160   3.5310   1.5950   3.3370   1.5600 0.1941000 2.231000 
1 1 1   47   11   19 o   3.4630   1.1130   4.0340   1.7240   2.8920   1.4080 1.142000 2.226000 
1 1 1   47   11   20 o   4.8720   1.3480   4.1600   1.8130   5.5840   1.9950 -1.424000 2.696000 
1 1 1   47   11   21 f   4.6010   1.3070   5.1720   1.9350   4.0290   1.7570 1.143000 2.614000 
1 1 1   47   11   22 o   2.8910   0.9958   3.0810   1.4800   2.7000   1.3330 0.3813000 1.992000 
1 1 1   47   11   23 o   2.7950   0.9695   3.0250   1.4620   2.5640   1.2740 0.4608000 1.939000 
1 1 1   47   11   24 o   2.3030   0.8286   2.2970   1.1690   2.3090   1.1740 -0.1230000E-01 1.657000 
1 1 1   47   13    0 o   10.690   0.5386   10.520   0.7361   10.850   0.7866 -0.3277000 1.077000 
1 1 1   47   13    1 o   27.250   0.3207   26.890   0.4214   27.620   0.4835 -0.7293000 0.6413000 
1 1 1   47   13    2 o   33.730   0.3635   33.590   0.4830   33.870   0.5433 -0.2817000 0.7269000 
1 1 1   47   13    3 o   11.130   0.5672   11.530   0.7283   10.740   0.8697 0.7916000 1.134000 
1 1 1   47   13    4 o   4.7550   1.1000   4.0510   1.5110   5.4590   1.5990 -1.407000 2.200000 
1 1 1   47   13    5 o   2.9630   0.9438   2.2830   1.1150   3.6430   1.5230 -1.360000 1.888000 
1 1 1   47   13    6 o   13.540   0.5368   14.050   0.6968   13.030   0.8168 1.018000 1.074000 
1 1 1   47   13    7 o   4.5180   1.1420   3.4280   1.5170   5.6070   1.7080 -2.180000 2.284000 
1 1 1   47   13    8 o   8.3250   0.9388   8.7690   1.2150   7.8810   1.4310 0.8883000 1.878000 
1 1 1   47   13    9 o   2.6530   0.9031   2.6070   1.2540   2.6980   1.3000 -0.9107000E-01 1.806000 
1 1 1   47   13   10 o   6.2700   1.1470   5.4950   1.6510   7.0450   1.5940 -1.551000 2.294000 
1 1 1   47   13   11 o   8.8980   1.1590   6.6990   1.9560   11.100   1.2440 -4.398000 2.318000 
1 1 1   47   13   12 o   9.9490   0.9664   9.5270   1.5580   10.370   1.1440 -0.8425000 1.933000 
1 1 1   47   13   13 f   11.650   0.7044   11.240   1.0140   12.060   0.9778 -0.8217000 1.409000 
1 1 1   47   13   14 o   3.5130   1.1110   3.5570   1.5760   3.4690   1.5650 0.8742000E-01 2.221000 
1 1 1   47   13   15 o   6.0890   1.2790   6.5990   1.7430   5.5790   1.8730 1.020000 2.558000 
1 1 1   47   13   16 o   4.4310   1.3100   4.9490   1.9090   3.9130   1.7940 1.036000 2.620000 
1 1 1   47   13   17 o   4.5950   1.2400   3.4490   1.5800   5.7420   1.9110 -2.293000 2.480000 
1 1 1   47   13   18 o   4.6560   1.2660   5.9030   1.9630   3.4090   1.5990 2.493000 2.532000 
1 1 1   47   13   19 f   4.4520   1.3010   5.0680   1.9370   3.8360   1.7380 1.231000 2.602000 
1 1 1   47   13   20 o   4.7720   1.3250   5.1880   1.9220   4.3560   1.8260 0.8315000 2.651000 
1 1 1   47   13   21 o   3.0580   1.0390   3.0950   1.4830   3.0200   1.4550 0.7548000E-01 2.077000 
1 1 1   47   13   22 o   2.6180   0.9206   2.9600   1.4370   2.2760   1.1510 0.6839000 1.841000 
1 1 1   47   13   23 o   2.7590   0.9731   2.7450   1.3720   2.7730   1.3810 -0.2872000E-01 1.946000 
1 1 1   47   15    0 o   11.220   0.6488   11.030   0.8508   11.410   0.9796 -0.3860000 1.298000 
1 1 1   47   15    1 o   15.490   0.4910   15.750   0.7080   15.230   0.6805 0.5159000 0.9820000 
1 1 1   47   15    2 o   4.3900   1.1070   5.1640   1.5810   3.6160   1.5500 1.548000 2.214000 
1 1 1   47   15    3 o   3.5110   1.0560   3.9050   1.5520   3.1160   1.4330 0.7892000 2.112000 
1 1 1   47   15    4 o   6.4770   1.0870   6.8980   1.3870   6.0560   1.6750 0.8424000 2.175000 
1 1 1   47   15    5 o   6.5890   1.0430   6.7930   1.3550   6.3860   1.5850 0.4070000 2.085000 
1 1 1   47   15    6 o   5.6510   1.1190   6.1640   1.4500   5.1390   1.7040 1.025000 2.238000 
1 1 1   47   15    7 o   5.5640   1.1530   4.6430   1.5950   6.4860   1.6650 -1.843000 2.306000 
1 1 1   47   15    8 o   8.4370   0.9101   6.9500   1.4150   9.9240   1.1450 -2.974000 1.820000 
1 1 1   47   15    9 o   4.0610   1.1610   3.6460   1.5550   4.4750   1.7250 -0.8286000 2.323000 
1 1 1   47   15   10 o   7.2080   1.3630   7.3510   1.9270   7.0640   1.9280 0.2861000 2.726000 
1 1 1   47   15   11 o   4.8150   1.3350   5.4010   2.0050   4.2290   1.7630 1.171000 2.670000 
1 1 1   47   15   12 o   7.0890   1.1520   8.5700   1.3580   5.6080   1.8610 2.962000 2.304000 
1 1 1   47   15   13 o   6.1790   1.1960   7.7540   1.5490   4.6040   1.8230 3.150000 2.392000 
1 1 1   47   15   14 o   4.0120   1.2130   4.0700   1.7210   3.9550   1.7110 0.1150000 2.427000 
1 1 1   47   15   15 o   6.2150   1.4700   6.6330   2.0170   5.7980   2.1390 0.8352000 2.940000 
1 1 1   47   15   16 o   5.8590   1.4910   6.8620   2.1860   4.8560   2.0290 2.007000 2.982000 
1 1 1   47   15   17 o   5.7340   1.4100   6.5380   1.9970   4.9290   1.9910 1.610000 2.820000 
1 1 1   47   15   18 o   3.9430   1.2270   4.1940   1.7920   3.6920   1.6780 0.5025000 2.455000 
1 1 1   47   15   19 o   3.1720   1.0690   2.8980   1.4110   3.4470   1.6050 -0.5485000 2.137000 
1 1 1   47   15   20 o   3.1330   1.0560   2.9900   1.4400   3.2760   1.5450 -0.2862000 2.113000 
1 1 1   47   15   21 f   3.5910   1.1480   3.8230   1.6840   3.3590   1.5630 0.4646000 2.297000 
1 1 1   47   15   22 o   2.6160   0.9278   2.6550   1.3300   2.5770   1.2940 0.7769000E-01 1.856000 
1 1 1   47   17    0 o   7.7730   0.8500   7.9740   1.1410   7.5730   1.2600 0.4013000 1.700000 
1 1 1   47   17    1 o   5.8720   1.0800   5.9840   1.4850   5.7600   1.5680 0.2231000 2.159000 
1 1 1   47   17    2 o   6.6360   1.0280   6.9920   1.3350   6.2810   1.5640 0.7104000 2.056000 
1 1 1   47   17    3 o   4.3210   1.1430   4.4210   1.5900   4.2200   1.6420 0.2002000 2.285000 
1 1 1   47   17    4 o   9.1710   0.7779   9.5740   0.9746   8.7680   1.2130 0.8060000 1.556000 
1 1 1   47   17    5 o   3.0420   0.9912   3.0610   1.3940   3.0220   1.4100 0.3959000E-01 1.982000 
1 1 1   47   17    6 o   8.3410   0.9443   6.9060   1.4760   9.7760   1.1780 -2.871000 1.889000 
1 1 1   47   17    7 o   14.110   0.5504   13.550   0.7608   14.680   0.7955 -1.125000 1.101000 
1 1 1   47   17    8 o   12.990   0.6065   12.530   0.8372   13.450   0.8778 -0.9247000 1.213000 
1 1 1   47   17    9 o   6.1040   1.3990   5.2750   1.9690   6.9340   1.9870 -1.659000 2.798000 
1 1 1   47   17   10 o   3.4280   1.0950   2.7580   1.3480   4.0970   1.7260 -1.340000 2.190000 
1 1 1   47   17   11 o   3.2690   1.0730   2.8070   1.3620   3.7310   1.6580 -0.9244000 2.146000 
1 1 1   47   17   12 o   5.0470   1.2340   6.2250   1.7860   3.8690   1.7040 2.356000 2.468000 
1 1 1   47   17   13 o   5.5580   1.1900   3.5140   1.5970   7.6010   1.7650 -4.087000 2.380000 
1 1 1   47   17   14 o   3.3410   1.1510   3.3380   1.6140   3.3440   1.6430 -0.6113000E-02 2.303000 
1 1 1   47   17   15 o   5.4360   1.5220   5.3980   2.1130   5.4730   2.1900 -0.7562000E-01 3.043000 
1 1 1   47   17   16 o   9.4710   1.1110   10.900   1.3470   8.0460   1.7660 2.852000 2.222000 
1 1 1   47   17   17 f   3.6920   1.1720   4.1430   1.7720   3.2410   1.5340 0.9021000 2.344000 
1 1 1   47   17   18 o   2.7780   0.9650   2.6260   1.3020   2.9300   1.4250 -0.3037000 1.930000 
1 1 1   47   17   19 o   3.9490   1.2140   3.5210   1.6110   4.3760   1.8150 -0.8554000 2.427000 
1 1 1   47   17   20 o   3.1240   1.0730   2.5450   1.2810   3.7040   1.7220 -1.159000 2.146000 
1 1 1   47   17   21 o   1.8250   0.6725   1.8030   0.9400   1.8460   0.9620 -0.4265000E-01 1.345000 
1 1 1   47   19    0 o   3.7290   1.1040   3.8810   1.5700   3.5760   1.5530 0.3043000 2.208000 
1 1 1   47   19    1 o   5.1770   1.1780   5.4580   1.6160   4.8960   1.7150 0.5624000 2.357000 
1 1 1   47   19    2 o   5.6460   1.1550   6.3590   1.5360   4.9340   1.7270 1.426000 2.311000 
1 1 1   47   19    3 o   7.2530   1.0440   7.2210   1.4270   7.2840   1.5240 -0.6319000E-01 2.088000 
1 1 1   47   19    4 o   4.6360   1.2050   4.7400   1.6920   4.5320   1.7160 0.2086000 2.410000 
1 1 1   47   19    5 o   7.1600   1.1010   7.5210   1.4250   6.8000   1.6790 0.7214000 2.202000 
1 1 1   47   19    6 o   8.3560   0.9822   7.9150   1.3860   8.7980   1.3920 -0.8824000 1.964000 
1 1 1   47   19    7 o   9.5970   1.1460   10.190   1.4820   9.0020   1.7470 1.190000 2.291000 
1 1 1   47   19    8 o   4.7420   1.3300   3.5680   1.6660   5.9150   2.0740 -2.347000 2.660000 
1 1 1   47   19    9 o   6.2140   1.2200   7.5520   1.5990   4.8760   1.8430 2.676000 2.440000 
1 1 1   47   19   10 o   4.1680   1.2360   4.0500   1.7010   4.2860   1.7930 -0.2367000 2.471000 
1 1 1   47   19   11 o   3.7670   1.1960   4.0490   1.7480   3.4840   1.6340 0.5645000 2.393000 
1 1 1   47   19   12 o   4.5990   1.3310   3.9340   1.7320   5.2650   2.0210 -1.331000 2.662000 
1 1 1   47   19   13 o   3.7440   1.2440   3.4620   1.6360   4.0270   1.8750 -0.5648000 2.488000 
1 1 1   47   19   14 o   4.3180   1.2580   5.0090   1.8940   3.6260   1.6560 1.383000 2.516000 
1 1 1   47   19   15 o   3.7120   1.1740   4.2030   1.7810   3.2220   1.5300 0.9810000 2.348000 
1 1 1   47   19   16 o   3.5980   1.1600   3.7690   1.6850   3.4260   1.5940 0.3434000 2.320000 
1 1 1   47   19   17 o   2.8340   0.9784   2.7960   1.3670   2.8720   1.4000 -0.7584000E-01 1.957000 
1 1 1   47   19   18 o   2.7780   0.9761   2.7320   1.3570   2.8250   1.4030 -0.9312000E-01 1.952000 
1 1 1   47   19   19 o   1.9030   0.6954   1.8870   0.9728   1.9200   0.9938 -0.3240000E-01 1.391000 
1 1 1   47   21    0 o   3.0810   1.0040   3.3340   1.4850   2.8270   1.3500 0.5068000 2.007000 
1 1 1   47   21    1 o   9.0770   0.8687   9.3900   1.1410   8.7640   1.3100 0.6260000 1.737000 
1 1 1   47   21    2 o   8.1500   1.0170   9.7730   1.1140   6.5270   1.7020 3.247000 2.034000 
1 1 1   47   21    3 o   5.0400   1.2470   4.9680   1.7260   5.1110   1.8000 -0.1436000 2.494000 
1 1 1   47   21    4 o   15.600   0.6257   15.970   0.7245   15.230   1.0200 0.7404000 1.251000 
1 1 1   47   21    5 o   5.2250   1.4220   4.9790   1.9630   5.4700   2.0580 -0.4914000 2.845000 
1 1 1   47   21    6 o   4.0090   1.2140   3.2370   1.5570   4.7810   1.8630 -1.544000 2.428000 
1 1 1   47   21    7 o   3.7660   1.1880   3.8470   1.6840   3.6840   1.6760 0.1631000 2.376000 
1 1 1   47   21    8 o   5.2230   1.3260   6.0520   1.8970   4.3940   1.8540 1.658000 2.653000 
1 1 1   47   21    9 o   4.8380   1.3400   5.4010   1.9460   4.2750   1.8440 1.126000 2.681000 
1 1 1   47   21   10 o   4.1380   1.2000   2.8770   1.3920   5.3980   1.9540 -2.521000 2.399000 
1 1 1   47   21   11 o   4.1630   1.3010   4.1030   1.7940   4.2240   1.8840 -0.1210000 2.601000 
1 1 1   47   21   12 o   3.3840   1.1450   3.3050   1.5730   3.4630   1.6640 -0.1583000 2.290000 
1 1 1   47   21   13 o   3.4740   1.1190   3.9870   1.7180   2.9610   1.4340 1.026000 2.238000 
1 1 1   47   21   14 o   3.0760   1.0610   2.7350   1.3420   3.4160   1.6450 -0.6811000 2.123000 
1 1 1   47   21   15 o   3.3490   1.1270   3.1110   1.4740   3.5870   1.7060 -0.4766000 2.254000 
1 1 1   47   21   16 o   2.4990   0.8945   2.4450   1.2350   2.5530   1.2940 -0.1076000 1.789000 
1 1 1   47   21   17 o   2.5310   0.9044   2.5870   1.2820   2.4760   1.2760 0.1118000 1.809000 
1 1 1   47   23    0 o   3.6870   1.1900   3.8020   1.6640   3.5710   1.7030 0.2307000 2.381000 
1 1 1   47   23    1 o   5.7200   1.5160   6.3510   2.1740   5.0890   2.1120 1.262000 3.031000 
1 1 1   47   23    2 o   5.5540   1.5110   4.9950   2.0740   6.1130   2.1970 -1.117000 3.021000 
1 1 1   47   23    3 o   3.3140   1.1250   3.4280   1.6530   3.2000   1.5270 0.2289000 2.250000 
1 1 1   47   23    4 o   7.2070   1.3370   7.0420   1.7330   7.3720   2.0370 -0.3298000 2.674000 
1 1 1   47   23    5 o   4.5430   1.3190   4.2660   1.7370   4.8200   1.9850 -0.5547000 2.638000 
1 1 1   47   23    6 o   3.4080   1.0970   4.0400   1.7020   2.7750   1.3840 1.265000 2.193000 
1 1 1   47   23    7 o   4.0890   1.2670   3.0220   1.4380   5.1560   2.0870 -2.134000 2.534000 
1 1 1   47   23    8 o   3.2960   1.0970   3.6430   1.6340   2.9490   1.4650 0.6943000 2.195000 
1 1 1   47   23    9 o   3.2490   1.1140   3.6210   1.6750   2.8760   1.4690 0.7450000 2.228000 
1 1 1   47   23   10 o   5.3900   1.5920   4.2800   1.8430   6.4990   2.5970 -2.219000 3.184000 
1 1 1   47   23   11 o   2.9910   1.0290   3.2030   1.5100   2.7780   1.3980 0.4245000 2.057000 
1 1 1   47   23   12 o   2.5060   0.9013   2.2870   1.1670   2.7240   1.3740 -0.4367000 1.803000 
1 1 1   47   23   13 o   2.9350   1.0190   3.2910   1.5630   2.5780   1.3070 0.7128000 2.037000 
1 1 1   47   23   14 o   2.2250   0.8058   2.1930   1.1200   2.2580   1.1590 -0.6450000E-01 1.612000 
1 1 1   47   25    0 o   4.4360   1.2880   4.6600   1.7800   4.2130   1.8630 0.4470000 2.576000 
1 1 1   47   25    1 o   5.0920   1.2460   6.3540   1.7680   3.8300   1.7550 2.524000 2.491000 
1 1 1   47   25    2 o   8.3220   1.2440   8.9650   1.3850   7.6790   2.0660 1.286000 2.488000 
1 1 1   47   25    3 o   8.9610   1.1380   9.2330   1.3630   8.6890   1.8220 0.5440000 2.275000 
1 1 1   47   25    4 o   9.4790   1.1780   11.000   1.1340   7.9560   2.0650 3.044000 2.356000 
1 1 1   47   25    5 o   5.2210   1.3070   6.1630   1.8020   4.2780   1.8950 1.885000 2.615000 
1 1 1   47   25    6 o   5.7910   1.3470   6.7410   1.7670   4.8410   2.0340 1.900000 2.694000 
1 1 1   47   25    7 o   2.8620   1.0060   2.7310   1.3530   2.9940   1.4900 -0.2631000 2.012000 
1 1 1   47   25    8 o   3.2630   1.1220   3.9000   1.8030   2.6260   1.3340 1.275000 2.243000 
1 1 1   47   25    9 o   2.6010   0.9199   2.5570   1.2780   2.6460   1.3240 -0.8831000E-01 1.840000 
1 1 1   47   25   10 o   2.7100   0.9509   2.6100   1.2990   2.8100   1.3890 -0.1994000 1.902000 
1 1 1   47   25   11 o   2.3560   0.8355   2.4170   1.2060   2.2950   1.1570 0.1216000 1.671000 
1 1 1   47   27    0 o   3.6260   1.1450   3.9130   1.6690   3.3390   1.5670 0.5742000 2.289000 
1 1 1   47   27    1 o   2.4920   0.8844   2.4890   1.2440   2.4940   1.2570 -0.5084000E-02 1.769000 
1 1 1   47   27    2 o   3.6750   1.1740   3.9940   1.7350   3.3550   1.5810 0.6388000 2.347000 
1 1 1   47   27    3 o   3.7830   1.2490   3.6350   1.7100   3.9300   1.8220 -0.2953000 2.499000 
1 1 1   47   27    4 o   2.8570   1.0110   3.2080   1.5630   2.5070   1.2820 0.7016000 2.021000 
1 1 1   47   27    5 o   2.4650   0.8802   2.4350   1.2360   2.4950   1.2540 -0.6010000E-01 1.760000 
1 1 1   47   27    6 o   2.7080   0.9323   2.4150   1.2010   3.0000   1.4260 -0.5850000 1.865000 
1 1 1   48    0    0 o   33.480   0.4875   33.480   0.4875   33.480   0.4875 0.000000 0.000000 
1 1 1   48    0    1 o   32.600   0.5298   32.600   0.5298   32.600   0.5298 -0.000000 0.000000 
1 1 1   48    0    2 o   14.880   1.1720   14.880   1.1720   14.880   1.1720 -0.000000 0.000000 
1 1 1   48    0    3 f   13.060   0.7590   13.060   0.7590   13.060   0.7590 -0.000000 0.000000 
1 1 1   48    0    4 o   8.2540   1.2630   8.2540   1.2630   8.2540   1.2630 0.000000 0.000000 
1 1 1   48    0    5 o   19.370   0.5577   19.370   0.5577   19.370   0.5577 0.000000 0.000000 
1 1 1   48    0    6 o   15.210   0.6796   15.210   0.6796   15.210   0.6796 0.000000 0.000000 
1 1 1   48    0    7 o   15.260   0.7283   15.260   0.7283   15.260   0.7283 0.000000 0.000000 
1 1 1   48    0    8 o   11.750   0.8501   11.750   0.8501   11.750   0.8501 -0.000000 0.000000 
1 1 1   48    0    9 o   1.9100   1.3360   1.9100   1.3360   1.9100   1.3360 0.000000 0.000000 
1 1 1   48    0   10 f   3.0560   1.8240   3.0560   1.8240   3.0560   1.8240 -0.000000 0.000000 
1 1 1   48    0   11 o   5.3800   2.2510   5.3800   2.2510   5.3800   2.2510 -0.000000 0.000000 
1 1 1   48    0   12 o   6.8510   2.1020   6.8510   2.1020   6.8510   2.1020 0.000000 0.000000 
1 1 1   48    0   13 o   1.9700   1.3910   1.9700   1.3910   1.9700   1.3910 -0.000000 0.000000 
1 1 1   48    0   14 o   4.2710   2.0630   4.2710   2.0630   4.2710   2.0630 -0.000000 0.000000 
1 1 1   48    0   15 o   12.840   0.8630   12.840   0.8630   12.840   0.8630 0.000000 0.000000 
1 1 1   48    0   16 o   13.680   1.3570   13.680   1.3570   13.680   1.3570 0.000000 0.000000 
1 1 1   48    0   17 o   2.2820   1.6360   2.2820   1.6360   2.2820   1.6360 0.000000 0.000000 
1 1 1   48    0   18 o   7.2790   1.8430   7.2790   1.8430   7.2790   1.8430 0.000000 0.000000 
1 1 1   48    0   19 o   4.2840   2.2210   4.2840   2.2210   4.2840   2.2210 0.000000 0.000000 
1 1 1   48    0   20 o   5.3270   2.3240   5.3270   2.3240   5.3270   2.3240 0.000000 0.000000 
1 1 1   48    0   21 o   6.6950   2.2250   6.6950   2.2250   6.6950   2.2250 0.000000 0.000000 
1 1 1   48    0   22 o   1.8230   1.3210   1.8230   1.3210   1.8230   1.3210 0.000000 0.000000 
1 1 1   48    0   23 o   3.3060   2.0500   3.3060   2.0500   3.3060   2.0500 -0.000000 0.000000 
1 1 1   48    0   24 o   3.3550   2.1790   3.3550   2.1790   3.3550   2.1790 0.000000 0.000000 
1 1 1   48    0   25 o   2.6720   1.8300   2.6720   1.8300   2.6720   1.8300 0.000000 0.000000 
1 1 1   48    0   26 o   2.0550   1.4610   2.0550   1.4610   2.0550   1.4610 -0.000000 0.000000 
1 1 1   48    2    0 o   19.180   0.3947   19.190   0.5709   19.160   0.5453 0.3543000E-01 0.7895000 
1 1 1   48    2    1 o   24.740   0.3363   24.440   0.5019   25.030   0.4479 -0.5949000 0.6727000 
1 1 1   48    2    2 o   8.0500   0.8692   7.4400   1.3860   8.6600   1.0490 -1.221000 1.738000 
1 1 1   48    2    3 o   6.3280   1.2720   6.9240   1.7020   5.7320   1.8910 1.192000 2.544000 
1 1 1   48    2    4 o   4.4020   1.1680   5.7550   1.8230   3.0490   1.4620 2.706000 2.337000 
1 1 1   48    2    5 o   12.710   0.5503   12.470   0.8129   12.940   0.7421 -0.4753000 1.101000 
1 1 1   48    2    6 o   3.8010   1.1080   4.0330   1.6120   3.5700   1.5200 0.4630000 2.216000 
1 1 1   48    2    7 o   6.2110   1.0830   6.0690   1.5550   6.3530   1.5080 -0.2843000 2.166000 
1 1 1   48    2    8 o   6.8780   1.0260   7.0540   1.4300   6.7020   1.4720 0.3528000 2.052000 
1 1 1   48    2    9 o   14.820   0.4909   14.810   0.7057   14.830   0.6824 -0.1978000E-01 0.9817000 
1 1 1   48    2   10 o   9.1900   0.8661   8.9520   1.2600   9.4280   1.1890 -0.4753000 1.732000 
1 1 1   48    2   11 o   11.180   0.7252   10.250   1.1070   12.110   0.9367 -1.861000 1.450000 
1 1 1   48    2   12 f   8.1220   1.0220   8.4660   1.4330   7.7780   1.4570 0.6879000 2.043000 
1 1 1   48    2   13 o   6.1630   1.1060   4.7300   1.7050   7.5950   1.4100 -2.866000 2.213000 
1 1 1   48    2   14 o   3.5180   1.0930   3.3480   1.5090   3.6890   1.5800 -0.3411000 2.185000 
1 1 1   48    2   15 o   7.8890   1.0190   7.5870   1.4930   8.1910   1.3880 -0.6031000 2.038000 
1 1 1   48    2   16 o   6.3190   1.1550   8.9670   1.6270   3.6710   1.6400 5.296000 2.310000 
1 1 1   48    2   17 o   4.3160   1.2650   3.2580   1.5390   5.3740   2.0080 -2.116000 2.530000 
1 1 1   48    2   18 o   6.8670   1.2330   6.8700   1.7400   6.8640   1.7470 0.6499000E-02 2.466000 
1 1 1   48    2   19 o   5.1390   1.2990   5.7180   1.8470   4.5610   1.8270 1.156000 2.598000 
1 1 1   48    2   20 o   3.6980   1.1720   4.0020   1.7340   3.3940   1.5780 0.6076000 2.344000 
1 1 1   48    2   21 o   6.0890   1.3700   5.8580   1.9640   6.3200   1.9110 -0.4613000 2.740000 
1 1 1   48    2   22 o   3.5540   1.1560   3.4940   1.6190   3.6130   1.6510 -0.1188000 2.313000 
1 1 1   48    2   23 o   3.6480   1.1780   3.5170   1.6310   3.7800   1.6990 -0.2631000 2.355000 
1 1 1   48    2   24 o   3.0360   1.0540   2.6570   1.3350   3.4140   1.6320 -0.7571000 2.108000 
1 1 1   48    2   25 o   3.3900   1.1460   3.5250   1.6680   3.2550   1.5730 0.2707000 2.293000 
1 1 1   48    2   26 o   2.8070   0.9733   2.3460   1.1840   3.2690   1.5450 -0.9229000 1.947000 
1 1 1   48    4    0 o   12.470   0.5043   12.100   0.7993   12.840   0.6152 -0.7394000 1.009000 
1 1 1   48    4    1 o   25.080   0.3061   24.830   0.4405   25.330   0.4252 -0.4976000 0.6122000 
1 1 1   48    4    2 o   21.370   0.3922   20.850   0.6280   21.890   0.4700 -1.038000 0.7844000 
1 1 1   48    4    3 o   11.170   0.8624   13.160   0.9447   9.1880   1.4430 3.971000 1.725000 
1 1 1   48    4    4 o   4.1350   1.3080   4.5290   2.0050   3.7410   1.6810 0.7874000 2.617000 
1 1 1   48    4    5 o   9.2980   0.8649   10.490   1.2790   8.1030   1.1650 2.389000 1.730000 
1 1 1   48    4    6 o   5.1360   1.2540   5.7070   1.9190   4.5650   1.6150 1.141000 2.508000 
1 1 1   48    4    7 o   5.2780   1.2290   4.8450   1.8980   5.7110   1.5630 -0.8659000 2.459000 
1 1 1   48    4    8 o   8.4790   0.9756   8.9810   1.5240   7.9770   1.2190 1.004000 1.951000 
1 1 1   48    4    9 o   4.3790   1.2380   4.3240   1.8150   4.4340   1.6820 -0.1100000 2.475000 
1 1 1   48    4   10 o   9.1280   0.9625   10.130   1.3820   8.1220   1.3400 2.012000 1.925000 
1 1 1   48    4   11 o   21.120   0.4720   21.150   0.7761   21.100   0.5373 0.5146000E-01 0.9440000 
1 1 1   48    4   12 o   6.9380   1.4530   7.0760   2.3730   6.8010   1.6770 0.2743000 2.905000 
1 1 1   48    4   13 o   14.360   0.8537   14.150   1.5000   14.570   0.8149 -0.4204000 1.707000 
1 1 1   48    4   14 o   4.6550   1.1710   3.4240   1.6130   5.8870   1.6980 -2.462000 2.342000 
1 1 1   48    4   15 o   3.9320   1.2190   3.6690   1.7010   4.1940   1.7470 -0.5250000 2.438000 
1 1 1   48    4   16 o   3.2670   1.0990   3.7500   1.7400   2.7840   1.3430 0.9665000 2.198000 
1 1 1   48    4   17 o   7.0170   1.6210   6.8890   2.5320   7.1450   2.0250 -0.2560000 3.242000 
1 1 1   48    4   18 o   4.0290   1.2640   4.0240   1.8380   4.0340   1.7360 -0.1050000E-01 2.528000 
1 1 1   48    4   19 o   4.8530   1.3450   4.2290   1.9070   5.4770   1.8980 -1.247000 2.690000 
1 1 1   48    4   20 o   7.7440   1.3940   7.4770   2.2110   8.0110   1.6980 -0.5336000 2.788000 
1 1 1   48    4   21 o   5.0010   1.4040   4.4770   2.0170   5.5240   1.9550 -1.047000 2.809000 
1 1 1   48    4   22 o   4.6410   1.3510   4.0760   1.9050   5.2060   1.9160 -1.130000 2.702000 
1 1 1   48    4   23 o   3.9530   1.2950   4.1810   1.9340   3.7240   1.7240 0.4561000 2.590000 
1 1 1   48    4   24 o   3.3470   1.1440   3.1730   1.5740   3.5210   1.6590 -0.3484000 2.287000 
1 1 1   48    4   25 o   2.7560   1.0000   3.1140   1.5870   2.3990   1.2190 0.7153000 2.000000 
1 1 1   48    4   26 o   2.2050   0.7998   2.3850   1.2190   2.0250   1.0360 0.3597000 1.600000 
1 1 1   48    6    0 o   25.500   0.4047   24.840   0.6572   26.160   0.4725 -1.320000 0.8094000 
1 1 1   48    6    1 o   16.620   0.4117   16.200   0.6200   17.040   0.5418 -0.8400000 0.8233000 
1 1 1   48    6    2 o   7.9230   0.8502   7.2800   1.3680   8.5670   1.0090 -1.287000 1.700000 
1 1 1   48    6    3 o   22.110   0.3755   22.170   0.5849   22.060   0.4712 0.1175000 0.7511000 
1 1 1   48    6    4 o   16.920   0.5398   16.490   0.7496   17.360   0.7770 -0.8722000 1.080000 
1 1 1   48    6    5 o   27.170   0.4051   26.650   0.5558   27.690   0.5895 -1.035000 0.8102000 
1 1 1   48    6    6 o   17.440   0.4156   17.490   0.5880   17.380   0.5875 0.1060000 0.8311000 
1 1 1   48    6    7 o   9.0040   0.8338   8.6720   1.2220   9.3360   1.1350 -0.6637000 1.668000 
1 1 1   48    6    8 o   13.700   0.5544   13.230   0.7901   14.180   0.7780 -0.9457000 1.109000 
1 1 1   48    6    9 o   3.7060   1.0700   4.4480   1.6420   2.9640   1.3730 1.484000 2.140000 
1 1 1   48    6   10 o   5.2790   1.1610   4.8780   1.6490   5.6800   1.6340 -0.8016000 2.322000 
1 1 1   48    6   11 o   10.540   0.6860   10.960   0.9413   10.130   0.9982 0.8322000 1.372000 
1 1 1   48    6   12 o   5.8520   1.0250   8.0950   1.2870   3.6080   1.5960 4.487000 2.050000 
1 1 1   48    6   13 o   3.2520   1.0710   3.3550   1.5550   3.1480   1.4740 0.2069000 2.143000 
1 1 1   48    6   14 o   3.4900   1.1150   3.9790   1.7090   3.0000   1.4310 0.9788000 2.229000 
1 1 1   48    6   15 o   7.0590   1.1120   6.7270   1.6030   7.3900   1.5410 -0.6633000 2.223000 
1 1 1   48    6   16 o   5.7890   1.2480   5.9670   1.7250   5.6110   1.8040 0.3554000 2.496000 
1 1 1   48    6   17 o   3.6870   1.1940   3.4980   1.6090   3.8770   1.7650 -0.3789000 2.388000 
1 1 1   48    6   18 o   4.4920   1.2710   4.5510   1.7870   4.4340   1.8070 0.1173000 2.542000 
1 1 1   48    6   19 o   5.1210   1.2590   6.2370   1.8250   4.0060   1.7350 2.232000 2.518000 
1 1 1   48    6   20 o   3.6280   1.1600   3.5760   1.6180   3.6800   1.6620 -0.1038000 2.320000 
1 1 1   48    6   21 o   4.2880   1.2700   4.3620   1.8010   4.2150   1.7930 0.1473000 2.541000 
1 1 1   48    6   22 o   4.3590   1.3060   4.9260   1.9930   3.7920   1.6880 1.133000 2.612000 
1 1 1   48    6   23 o   3.6290   1.1960   3.7360   1.7270   3.5220   1.6550 0.2134000 2.392000 
1 1 1   48    6   24 o   3.8370   1.2070   3.7110   1.6750   3.9630   1.7400 -0.2517000 2.415000 
1 1 1   48    6   25 o   3.0560   1.0590   3.0790   1.5070   3.0340   1.4890 0.4546000E-01 2.119000 
1 1 1   48    8    0 o   14.150   0.4937   13.660   0.7361   14.630   0.6579 -0.9711000 0.9873000 
1 1 1   48    8    1 f   13.460   0.4270   13.210   0.6058   13.710   0.6019 -0.4960000 0.8540000 
1 1 1   48    8    2 o   23.000   0.3092   22.400   0.4360   23.600   0.4386 -1.201000 0.6184000 
1 1 1   48    8    3 o   16.830   0.3864   17.030   0.5305   16.620   0.5620 0.4116000 0.7729000 
1 1 1   48    8    4 o   15.020   0.5909   15.090   0.7991   14.950   0.8708 0.1328000 1.182000 
1 1 1   48    8    5 o   6.7840   1.0040   4.8200   1.6390   8.7470   1.1590 -3.928000 2.007000 
1 1 1   48    8    6 o   16.540   0.4486   16.800   0.6217   16.280   0.6470 0.5235000 0.8973000 
1 1 1   48    8    7 o   15.950   0.4474   16.560   0.6094   15.340   0.6551 1.222000 0.8947000 
1 1 1   48    8    8 o   4.8120   1.1460   5.1310   1.6200   4.4930   1.6220 0.6384000 2.292000 
1 1 1   48    8    9 o   5.4640   1.1230   6.4130   1.5240   4.5150   1.6500 1.897000 2.246000 
1 1 1   48    8   10 o   13.720   0.5336   13.240   0.7670   14.200   0.7421 -0.9573000 1.067000 
1 1 1   48    8   11 o   5.4150   1.1830   5.5250   1.6510   5.3040   1.6960 0.2219000 2.367000 
1 1 1   48    8   12 o   4.1000   1.2700   3.7270   1.7430   4.4740   1.8470 -0.7469000 2.540000 
1 1 1   48    8   13 o   4.3740   1.3410   4.4550   1.9470   4.2940   1.8440 0.1604000 2.682000 
1 1 1   48    8   14 o   5.7300   1.1730   6.9820   1.5790   4.4780   1.7360 2.504000 2.347000 
1 1 1   48    8   15 o   3.3780   1.0590   4.1950   1.7010   2.5600   1.2610 1.635000 2.118000 
1 1 1   48    8   16 o   5.9800   1.2260   6.8860   1.6550   5.0740   1.8100 1.812000 2.452000 
1 1 1   48    8   17 o   4.5800   1.3400   3.9180   1.7340   5.2420   2.0440 -1.324000 2.681000 
1 1 1   48    8   18 o   3.8830   1.1960   3.8440   1.6770   3.9210   1.7060 -0.7690000E-01 2.392000 
1 1 1   48    8   19 o   4.0180   1.2260   3.9780   1.7180   4.0580   1.7490 -0.7928000E-01 2.451000 
1 1 1   48    8   20 o   3.1600   1.0470   3.8150   1.6790   2.5040   1.2520 1.311000 2.094000 
1 1 1   48    8   21 o   5.4480   1.3320   6.8340   1.9900   4.0630   1.7700 2.771000 2.663000 
1 1 1   48    8   22 o   3.4210   1.1390   4.0760   1.8180   2.7660   1.3730 1.310000 2.278000 
1 1 1   48    8   23 o   2.9890   1.0220   2.7460   1.3550   3.2320   1.5290 -0.4860000 2.043000 
1 1 1   48    8   24 o   2.8320   0.9798   3.0000   1.4510   2.6650   1.3170 0.3343000 1.960000 
1 1 1   48    8   25 o   3.0980   1.0660   2.6920   1.3470   3.5040   1.6520 -0.8112000 2.131000 
1 1 1   48   10    0 o   16.100   0.3845   16.230   0.5389   15.980   0.5487 0.2426000 0.7691000 
1 1 1   48   10    1 o   12.040   0.5117   11.910   0.7017   12.170   0.7450 -0.2591000 1.023000 
1 1 1   48   10    2 o   19.100   0.3677   18.800   0.5035   19.390   0.5359 -0.5864000 0.7353000 
1 1 1   48   10    3 o   16.760   0.4182   17.120   0.5630   16.410   0.6186 0.7007000 0.8364000 
1 1 1   48   10    4 o   3.6760   1.1280   3.0570   1.3940   4.2960   1.7730 -1.239000 2.255000 
1 1 1   48   10    5 o   11.020   0.5797   10.810   0.7989   11.230   0.8401 -0.4204000 1.159000 
1 1 1   48   10    6 o   4.3060   1.1270   3.9910   1.5600   4.6210   1.6260 -0.6296000 2.253000 
1 1 1   48   10    7 o   5.8470   1.0990   6.2220   1.4950   5.4730   1.6100 0.7490000 2.197000 
1 1 1   48   10    8 o   12.320   0.5649   12.510   0.7795   12.120   0.8180 0.3890000 1.130000 
1 1 1   48   10    9 f   16.320   0.4560   16.770   0.6171   15.880   0.6715 0.8828000 0.9120000 
1 1 1   48   10   10 o   10.290   0.7876   10.570   1.0840  10.0000   1.1430 0.5640000 1.575000 
1 1 1   48   10   11 o   9.3330   0.9057   9.6320   1.2460   9.0340   1.3150 0.5977000 1.811000 
1 1 1   48   10   12 o   5.4370   1.3260   5.7450   1.9010   5.1290   1.8500 0.6160000 2.652000 
1 1 1   48   10   13 o   3.8030   1.1180   2.9130   1.3860   4.6930   1.7550 -1.779000 2.236000 
1 1 1   48   10   14 o   5.2110   1.2300   4.2390   1.7070   6.1830   1.7720 -1.944000 2.461000 
1 1 1   48   10   15 f   4.1560   1.1880   3.3130   1.5230   4.9990   1.8250 -1.686000 2.377000 
1 1 1   48   10   16 o   7.6830   1.1260   6.9040   1.6820   8.4630   1.4980 -1.559000 2.253000 
1 1 1   48   10   17 f   3.4780   1.1500   3.7030   1.6760   3.2530   1.5760 0.4500000 2.301000 
1 1 1   48   10   18 f   4.2310   1.2410   4.1620   1.7320   4.2990   1.7790 -0.1369000 2.483000 
1 1 1   48   10   19 o   4.8950   1.2550   3.7310   1.6530   6.0590   1.8890 -2.329000 2.510000 
1 1 1   48   10   20 o   4.8430   1.3540   5.1970   1.9570   4.4880   1.8720 0.7086000 2.708000 
1 1 1   48   10   21 o   7.5310   1.3470   8.6510   1.7580   6.4120   2.0410 2.239000 2.694000 
1 1 1   48   10   22 o   2.5270   0.8927   2.6450   1.3120   2.4090   1.2110 0.2365000 1.785000 
1 1 1   48   10   23 o   2.5880   0.9085   2.1100   1.0760   3.0660   1.4640 -0.9563000 1.817000 
1 1 1   48   10   24 o   2.4310   0.8680   2.1820   1.1100   2.6790   1.3350 -0.4967000 1.736000 
1 1 1   48   12    0 o   14.920   0.3877   14.630   0.5355   15.220   0.5607 -0.5971000 0.7753000 
1 1 1   48   12    1 o   11.530   0.5154   12.200   0.6566   10.870   0.7946 1.328000 1.031000 
1 1 1   48   12    2 o   11.120   0.5476   11.030   0.7353   11.210   0.8117 -0.1801000 1.095000 
1 1 1   48   12    3 o   21.540   0.4061   22.030   0.5092   21.040   0.6327 0.9852000 0.8122000 
1 1 1   48   12    4 o   3.3160   1.0010   2.7110   1.2540   3.9210   1.5620 -1.210000 2.003000 
1 1 1   48   12    5 o   3.7360   1.0630   3.1840   1.3800   4.2880   1.6170 -1.103000 2.126000 
1 1 1   48   12    6 o   9.4620   0.6963   8.3040   1.0300   10.620   0.9377 -2.316000 1.393000 
1 1 1   48   12    7 o   17.290   0.4505   17.060   0.6260   17.530   0.6479 -0.4738000 0.9009000 
1 1 1   48   12    8 o   4.9230   1.1990   5.3370   1.6800   4.5090   1.7110 0.8279000 2.398000 
1 1 1   48   12    9 o   9.6990   0.8299   10.050   1.0800   9.3450   1.2600 0.7084000 1.660000 
1 1 1   48   12   10 o   3.9150   1.0980   4.7390   1.6600   3.0910   1.4370 1.648000 2.196000 
1 1 1   48   12   11 o   3.5620   1.1200   3.5890   1.5530   3.5340   1.6140 0.5502000E-01 2.240000 
1 1 1   48   12   12 o   5.2330   1.3350   6.1140   1.9710   4.3520   1.8010 1.762000 2.670000 
1 1 1   48   12   13 o   5.2400   1.2440   5.7790   1.7570   4.7020   1.7610 1.078000 2.488000 
1 1 1   48   12   14 o   2.8170   0.9605   2.6610   1.2990   2.9740   1.4160 -0.3133000 1.921000 
1 1 1   48   12   15 o   4.3120   1.1820   3.1860   1.4810   5.4370   1.8420 -2.251000 2.363000 
1 1 1   48   12   16 o   8.6630   1.2360   9.4350   1.4450   7.8900   2.0060 1.544000 2.472000 
1 1 1   48   12   17 o   3.9880   1.2530   3.2250   1.5290   4.7510   1.9850 -1.526000 2.505000 
1 1 1   48   12   18 o   3.5890   1.1430   3.9660   1.7060   3.2130   1.5210 0.7526000 2.286000 
1 1 1   48   12   19 o   4.8700   1.3520   5.4600   1.9690   4.2800   1.8530 1.179000 2.704000 
1 1 1   48   12   20 o   3.7810   1.1990   3.6960   1.6660   3.8660   1.7240 -0.1702000 2.397000 
1 1 1   48   12   21 o   5.2980   1.3600   5.5100   1.9240   5.0860   1.9230 0.4243000 2.720000 
1 1 1   48   12   22 o   2.8090   0.9734   3.1400   1.5010   2.4790   1.2400 0.6611000 1.947000 
1 1 1   48   12   23 o   2.3430   0.8344   2.3210   1.1700   2.3660   1.1900 -0.4460000E-01 1.669000 
1 1 1   48   14    0 o   10.070   0.5931   10.140   0.8088   9.9930   0.8676 0.1500000 1.186000 
1 1 1   48   14    1 o   10.100   0.7185   9.5030   0.9431   10.710   1.0840 -1.204000 1.437000 
1 1 1   48   14    2 o   25.290   0.3818   25.420   0.4961   25.160   0.5805 0.2560000 0.7636000 
1 1 1   48   14    3 o   4.4140   0.9608   2.4650   1.1840   6.3620   1.5130 -3.897000 1.922000 
1 1 1   48   14    4 o   8.9700   0.8043   7.8940   1.2130   10.050   1.0570 -2.154000 1.609000 
1 1 1   48   14    5 o   7.6980   0.9495   8.0150   1.2120   7.3810   1.4620 0.6340000 1.899000 
1 1 1   48   14    6 o   6.5230   1.0520   7.3820   1.2570   5.6650   1.6880 1.717000 2.105000 
1 1 1   48   14    7 o   8.1590   0.8552   7.5130   1.2480   8.8060   1.1700 -1.293000 1.710000 
1 1 1   48   14    8 o   6.0740   1.1550   6.5000   1.5420   5.6470   1.7210 0.8533000 2.311000 
1 1 1   48   14    9 o   6.1720   1.1500   5.3430   1.6710   7.0010   1.5790 -1.658000 2.299000 
1 1 1   48   14   10 o   4.4920   1.2040   4.5690   1.6890   4.4150   1.7170 0.1538000 2.409000 
1 1 1   48   14   11 o   8.8290   1.2000   10.160   1.4720   7.5000   1.8940 2.659000 2.399000 
1 1 1   48   14   12 o   4.8940   1.1100   2.9690   1.4100   6.8190   1.7140 -3.851000 2.219000 
1 1 1   48   14   13 o   3.7860   1.1460   4.3870   1.7390   3.1860   1.4920 1.201000 2.292000 
1 1 1   48   14   14 o   9.8760   0.9252   10.580   1.1870   9.1720   1.4200 1.406000 1.850000 
1 1 1   48   14   15 o   10.940   0.9279   8.8110   1.4590   13.070   1.1460 -4.256000 1.856000 
1 1 1   48   14   16 o   5.0090   1.3500   6.0850   2.0220   3.9320   1.7910 2.154000 2.701000 
1 1 1   48   14   17 f   3.9940   1.2490   3.5350   1.6400   4.4520   1.8850 -0.9174000 2.499000 
1 1 1   48   14   18 o   3.1580   1.0760   3.1860   1.5280   3.1290   1.5150 0.5646000E-01 2.152000 
1 1 1   48   14   19 o   4.1790   1.2470   3.6820   1.6580   4.6760   1.8640 -0.9934000 2.495000 
1 1 1   48   14   20 o   3.1390   1.0550   2.8910   1.4060   3.3870   1.5740 -0.4965000 2.111000 
1 1 1   48   14   21 o   3.2660   1.0840   3.3600   1.5640   3.1720   1.5020 0.1888000 2.169000 
1 1 1   48   14   22 f   2.3120   0.8244   2.2590   1.1430   2.3650   1.1880 -0.1068000 1.649000 
1 1 1   48   16    0 o   6.3390   1.0960   6.1690   1.6380   6.5100   1.4570 -0.3413000 2.192000 
1 1 1   48   16    1 o   14.670   0.4558   14.830   0.6141   14.520   0.6737 0.3019000 0.9116000 
1 1 1   48   16    2 o   19.290   0.3736   18.920   0.5109   19.660   0.5453 -0.7317000 0.7472000 
1 1 1   48   16    3 o   4.8150   1.1490   4.4170   1.5680   5.2140   1.6800 -0.7968000 2.298000 
1 1 1   48   16    4 o   5.7340   1.1270   6.1060   1.4890   5.3620   1.6920 0.7436000 2.254000 
1 1 1   48   16    5 o   4.5630   1.1560   4.9500   1.6110   4.1760   1.6580 0.7739000 2.312000 
1 1 1   48   16    6 o   14.290   0.5254   14.210   0.6926   14.370   0.7901 -0.1649000 1.051000 
1 1 1   48   16    7 o   12.840   0.5936   12.250   0.8173   13.420   0.8610 -1.171000 1.187000 
1 1 1   48   16    8 o   5.8920   1.1950   5.4090   1.6750   6.3750   1.7050 -0.9656000 2.390000 
1 1 1   48   16    9 o   4.9020   1.2060   5.9380   1.6760   3.8660   1.7340 2.073000 2.412000 
1 1 1   48   16   10 o   5.6740   1.4190   5.9860   2.0070   5.3620   2.0060 0.6245000 2.838000 
1 1 1   48   16   11 o   5.5480   1.2920   5.8950   1.7890   5.2010   1.8640 0.6937000 2.584000 
1 1 1   48   16   12 o   5.9970   1.3100   6.0840   1.8210   5.9100   1.8830 0.1745000 2.620000 
1 1 1   48   16   13 o   6.2180   1.2550   7.5910   1.6750   4.8450   1.8700 2.746000 2.511000 
1 1 1   48   16   14 o   7.3630   1.2450   6.8030   1.7960   7.9240   1.7240 -1.121000 2.490000 
1 1 1   48   16   15 o   4.5400   1.3750   5.4140   2.1130   3.6660   1.7610 1.748000 2.751000 
1 1 1   48   16   16 o   10.150   1.2190   13.240   1.3550   7.0650   2.0260 6.178000 2.438000 
1 1 1   48   16   17 f   2.9350   1.0100   2.8890   1.4090   2.9820   1.4470 -0.9211000E-01 2.020000 
1 1 1   48   16   18 o   2.9820   1.0190   3.1020   1.4810   2.8610   1.4010 0.2414000 2.039000 
1 1 1   48   16   19 o   2.9750   1.0160   2.9320   1.4210   3.0180   1.4530 -0.8594000E-01 2.033000 
1 1 1   48   16   20 f   3.2700   1.0840   3.4890   1.6020   3.0500   1.4610 0.4390000 2.168000 
1 1 1   48   16   21 o   2.5120   0.9055   2.3150   1.1780   2.7080   1.3760 -0.3933000 1.811000 
1 1 1   48   18    0 o   9.3030   0.7446   9.0550   1.0550   9.5510   1.0510 -0.4952000 1.489000 
1 1 1   48   18    1 o   13.600   0.5296   13.040   0.7524   14.170   0.7455 -1.129000 1.059000 
1 1 1   48   18    2 o   5.6590   1.1390   4.8570   1.6410   6.4600   1.5780 -1.603000 2.277000 
1 1 1   48   18    3 o   7.9200   0.9607   9.5290   1.0410   6.3100   1.6150 3.219000 1.921000 
1 1 1   48   18    4 o   4.9560   1.2150   4.9880   1.6870   4.9240   1.7490 0.6444000E-01 2.430000 
1 1 1   48   18    5 o   6.0430   1.1870   5.5130   1.6780   6.5730   1.6790 -1.060000 2.373000 
1 1 1   48   18    6 o   3.9790   1.1570   3.1740   1.4510   4.7850   1.8020 -1.611000 2.313000 
1 1 1   48   18    7 o   8.7560   0.9620   9.7650   1.0990   7.7470   1.5800 2.018000 1.924000 
1 1 1   48   18    8 o   5.5960   1.3250   7.0990   1.9460   4.0930   1.7980 3.006000 2.649000 
1 1 1   48   18    9 o   4.0340   1.2260   5.0500   1.9820   3.0180   1.4440 2.032000 2.453000 
1 1 1   48   18   10 o   5.0290   1.2740   5.7120   1.8170   4.3460   1.7870 1.367000 2.548000 
1 1 1   48   18   11 f   5.9290   1.3550   5.6960   1.9280   6.1620   1.9040 -0.4664000 2.710000 
1 1 1   48   18   12 o   4.6960   1.3260   4.9100   1.9040   4.4810   1.8460 0.4288000 2.652000 
1 1 1   48   18   13 o   3.5450   1.1610   3.7100   1.6860   3.3790   1.5980 0.3308000 2.323000 
1 1 1   48   18   14 o   3.9210   1.2980   3.7780   1.7810   4.0640   1.8880 -0.2864000 2.596000 
1 1 1   48   18   15 o   4.3310   1.2280   5.4320   1.9240   3.2310   1.5260 2.202000 2.456000 
1 1 1   48   18   16 f   4.7660   1.2990   5.3740   1.9010   4.1580   1.7720 1.216000 2.599000 
1 1 1   48   18   17 o   2.8850   0.9899   2.7370   1.3420   3.0330   1.4560 -0.2961000 1.980000 
1 1 1   48   18   18 o   2.7720   0.9590   3.0840   1.4710   2.4610   1.2310 0.6229000 1.918000 
1 1 1   48   18   19 o   2.5210   0.8979   2.4950   1.2570   2.5470   1.2820 -0.5131000E-01 1.796000 
1 1 1   48   20    0 o   5.5090   1.1760   5.5040   1.6260   5.5140   1.6980 -0.9297000E-02 2.351000 
1 1 1   48   20    1 o   6.9150   1.0720   7.5470   1.3630   6.2830   1.6540 1.264000 2.144000 
1 1 1   48   20    2 o   11.090   0.7196   12.300   0.8599   9.8890   1.1540 2.408000 1.439000 
1 1 1   48   20    3 o   6.6250   1.1600   6.0710   1.6840   7.1790   1.5970 -1.108000 2.321000 
1 1 1   48   20    4 o   7.8510   1.0480   8.7380   1.2700   6.9630   1.6680 1.775000 2.096000 
1 1 1   48   20    5 o   8.3710   1.0130   9.2240   1.1860   7.5180   1.6430 1.706000 2.027000 
1 1 1   48   20    6 o   4.7240   1.3620   5.0490   1.9650   4.4000   1.8870 0.6493000 2.725000 
1 1 1   48   20    7 o   3.7550   1.2230   3.6950   1.7090   3.8150   1.7500 -0.1200000 2.446000 
1 1 1   48   20    8 o   4.4840   1.2640   4.4150   1.7450   4.5540   1.8280 -0.1394000 2.527000 
1 1 1   48   20    9 o   6.6020   1.3100   5.2160   1.9000   7.9870   1.8020 -2.771000 2.619000 
1 1 1   48   20   10 o   7.2130   1.3210   6.1070   1.9230   8.3180   1.8100 -2.211000 2.641000 
1 1 1   48   20   11 o   4.5810   1.2480   3.0550   1.4540   6.1070   2.0290 -3.052000 2.496000 
1 1 1   48   20   12 o   4.4260   1.3010   5.3150   1.9900   3.5370   1.6760 1.778000 2.602000 
1 1 1   48   20   13 o   4.0520   1.3080   4.1980   1.9010   3.9060   1.7970 0.2917000 2.615000 
1 1 1   48   20   14 o   4.0830   1.2070   3.1330   1.4890   5.0330   1.8990 -1.900000 2.413000 
1 1 1   48   20   15 o   2.6830   0.9340   2.8750   1.3940   2.4910   1.2430 0.3848000 1.868000 
1 1 1   48   20   16 o   3.6250   1.0880   2.1260   1.0800   5.1240   1.8890 -2.997000 2.176000 
1 1 1   48   20   17 o   2.5900   0.9172   2.9280   1.4310   2.2530   1.1470 0.6751000 1.834000 
1 1 1   48   22    0 o   4.3090   1.1170   5.6950   1.7470   2.9230   1.3910 2.772000 2.233000 
1 1 1   48   22    1 o   8.9270   0.9226   8.9520   1.2980   8.9020   1.3110 0.5006000E-01 1.845000 
1 1 1   48   22    2 o   5.6890   1.2470   4.8900   1.7520   6.4890   1.7740 -1.599000 2.493000 
1 1 1   48   22    3 o   4.2670   1.3030   4.5300   1.8970   4.0050   1.7870 0.5249000 2.606000 
1 1 1   48   22    4 o   4.9280   1.4480   4.3180   1.9330   5.5380   2.1550 -1.220000 2.895000 
1 1 1   48   22    5 o   7.8370   1.8100  ?   ?    7.8370   1.8100      ?      ? 
1 1 1   48   22    6 o   3.7550   1.1900   3.5960   1.6260   3.9150   1.7380 -0.3192000 2.380000 
1 1 1   48   22    7 o   4.6220   1.3040   4.6140   1.8040   4.6310   1.8840 -0.1763000E-01 2.608000 
1 1 1   48   22    8 o   4.6280   1.2840   5.0450   1.8560   4.2120   1.7740 0.8331000 2.567000 
1 1 1   48   22    9 o   3.8550   1.1860   4.4650   1.8100   3.2450   1.5340 1.220000 2.373000 
1 1 1   48   22   10 o   4.6860   1.3800   4.4330   1.8600   4.9390   2.0380 -0.5065000 2.759000 
1 1 1   48   22   11 o   4.9120   1.3270   6.0250   1.9840   3.8000   1.7640 2.225000 2.655000 
1 1 1   48   22   12 o   3.8440   1.1900   3.1050   1.4780   4.5840   1.8650 -1.479000 2.380000 
1 1 1   48   22   13 o   3.1500   1.0590   2.8320   1.3750   3.4670   1.6110 -0.6350000 2.117000 
1 1 1   48   22   14 o   2.9150   1.0120   3.1980   1.5350   2.6310   1.3180 0.5668000 2.023000 
1 1 1   48   22   15 o   2.3130   0.8309   2.3700   1.1990   2.2550   1.1500 0.1148000 1.662000 
1 1 1   48   24    0 o   3.5430   1.1730   2.8850   1.4180   4.2020   1.8690 -1.317000 2.346000 
1 1 1   48   24    1 o   9.3900   1.2290   11.950   1.2470   6.8270   2.1170 5.126000 2.457000 
1 1 1   48   24    2 o   3.6120   1.1380   2.9700   1.4160   4.2550   1.7830 -1.286000 2.276000 
1 1 1   48   24    3 o   3.7950   1.1730   3.4430   1.5560   4.1480   1.7550 -0.7050000 2.346000 
1 1 1   48   24    4 o   4.7230   1.2720   5.0970   1.8120   4.3490   1.7860 0.7484000 2.544000 
1 1 1   48   24    5 o   6.9080   1.2610   6.9500   1.7490   6.8660   1.8180 0.8421000E-01 2.523000 
1 1 1   48   24    6 o   7.4810   1.2040   7.2510   1.6830   7.7100   1.7230 -0.4583000 2.409000 
1 1 1   48   24    7 o   2.9620   1.0210   2.8290   1.3670   3.0950   1.5170 -0.2662000 2.042000 
1 1 1   48   24    8 o   3.6470   1.2180   3.8360   1.7230   3.4590   1.7230 0.3770000 2.437000 
1 1 1   48   24    9 o   3.2930   1.1380   3.2350   1.5440   3.3510   1.6720 -0.1163000 2.276000 
1 1 1   48   24   10 o   2.5960   0.9194   2.9820   1.4480   2.2090   1.1340 0.7732000 1.839000 
1 1 1   48   24   11 f   2.1790   0.7890   2.1450   1.0950   2.2140   1.1360 -0.6890000E-01 1.578000 
1 1 1   48   24   12 o   2.4740   0.8851   2.8090   1.3870   2.1400   1.1010 0.6685000 1.770000 
1 1 1   48   26    0 o   6.2110   1.3660   6.3610   1.7470   6.0620   2.1000 0.2988000 2.732000 
1 1 1   48   26    1 o   3.4910   1.1300   3.7210   1.6280   3.2610   1.5680 0.4603000 2.261000 
1 1 1   48   26    2 o   6.9890   1.3410   6.9150   1.6890   7.0630   2.0850 -0.1475000 2.683000 
1 1 1   48   26    3 o   5.1840   1.3580   5.4600   1.8290   4.9080   2.0090 0.5519000 2.717000 
1 1 1   48   26    4 o   2.9550   1.0070   3.2360   1.5010   2.6730   1.3420 0.5633000 2.013000 
1 1 1   48   26    5 o   2.9560   1.0520   2.6440   1.3290   3.2680   1.6320 -0.6239000 2.104000 
1 1 1   48   26    6 o   2.5840   0.9362   2.2560   1.1550   2.9130   1.4740 -0.6570000 1.872000 
1 1 1   48   26    7 o   2.7290   0.9612   2.5410   1.2670   2.9170   1.4460 -0.3758000 1.922000 
1 1 1   48   26    8 o   2.1750   0.7804   2.3720   1.1820   1.9790   1.0190 0.3932000 1.561000 
1 1 1   48   28    0 o   1.9610   0.7152   1.9270   0.9900   1.9940   1.0320 -0.6677000E-01 1.430000 
1 1 1   48   28    1 o   2.4330   1.2540   2.4330   1.2540  ?   ?       ?      ? 
1 1 1   49    1    0 o   15.160   0.5265   15.170   0.7121   15.140   0.7757 0.2865000E-01 1.053000 
1 1 1   49    1    1 o   13.440   0.5861   14.080   0.8564   12.800   0.8002 1.271000 1.172000 
1 1 1   49    1    2 o   11.570   0.7497   11.910   0.9616   11.220   1.1500 0.6870000 1.499000 
1 1 1   49    1    3 o   9.0430   0.9672   9.1660   1.2620   8.9200   1.4660 0.2464000 1.934000 
1 1 1   49    1    4 o   6.2920   1.0680   6.6780   1.4920   5.9070   1.5300 0.7710000 2.137000 
1 1 1   49    1    5 o   15.620   0.4498   15.330   0.6603   15.920   0.6108 -0.5966000 0.8995000 
1 1 1   49    1    6 o   14.440   0.4955   14.710   0.6934   14.170   0.7081 0.5451000 0.9911000 
1 1 1   49    1    7 f   7.5310   0.9504   8.3000   1.2090   6.7620   1.4670 1.537000 1.901000 
1 1 1   49    1    8 o   11.480   0.6067   11.530   0.8614   11.430   0.8545 0.9894000E-01 1.213000 
1 1 1   49    1    9 o   4.2180   1.1440   4.2510   1.6250   4.1840   1.6100 0.6712000E-01 2.288000 
1 1 1   49    1   10 o   11.710   0.6142   11.550   0.8824   11.880   0.8546 -0.3333000 1.228000 
1 1 1   49    1   11 o   4.0060   1.1900   3.3280   1.5110   4.6830   1.8380 -1.355000 2.379000 
1 1 1   49    1   12 o   3.4810   1.0940   2.9610   1.4120   4.0020   1.6720 -1.041000 2.189000 
1 1 1   49    1   13 o   4.4880   1.1930   4.3300   1.6710   4.6460   1.7030 -0.3163000 2.385000 
1 1 1   49    1   14 o   4.1940   1.1590   3.4850   1.5370   4.9020   1.7340 -1.417000 2.317000 
1 1 1   49    1   15 o   5.6620   1.1660   7.0510   1.5840   4.2730   1.7100 2.779000 2.331000 
1 1 1   49    1   16 o   3.9910   1.3160   4.1330   1.9140   3.8500   1.8070 0.2833000 2.632000 
1 1 1   49    1   17 o   4.4320   1.2300   2.8070   1.3720   6.0580   2.0430 -3.251000 2.460000 
1 1 1   49    1   18 o   3.4890   1.1160   3.2720   1.5140   3.7070   1.6400 -0.4342000 2.232000 
1 1 1   49    1   19 o   5.8970   1.2540   4.4540   1.7880   7.3400   1.7580 -2.886000 2.508000 
1 1 1   49    1   20 o   3.4400   1.1230   3.7330   1.6740   3.1470   1.4980 0.5867000 2.246000 
1 1 1   49    1   21 f   3.5050   1.1410   3.2700   1.5460   3.7400   1.6780 -0.4702000 2.282000 
1 1 1   49    1   22 o   3.6450   1.1720   3.4330   1.5930   3.8560   1.7200 -0.4236000 2.345000 
1 1 1   49    1   23 o   3.3730   1.1120   3.3740   1.5740   3.3710   1.5720 0.2128000E-02 2.225000 
1 1 1   49    1   24 o   3.7810   1.2750   3.7040   1.7780   3.8580   1.8280 -0.1547000 2.550000 
1 1 1   49    1   25 o   2.7570   0.9661   2.7030   1.3520   2.8110   1.3810 -0.1079000 1.932000 
1 1 1   49    1   26 o   2.5730   0.9378   2.6180   1.3480   2.5270   1.3050 0.9067000E-01 1.876000 
1 1 1   49    3    0 o   25.080   0.3245   25.100   0.4260   25.050   0.4895 0.4879000E-01 0.6489000 
1 1 1   49    3    1 o   36.850   0.3035   36.750   0.4240   36.960   0.4345 -0.2102000 0.6070000 
1 1 1   49    3    2 o   27.940   0.3384   27.370   0.5240   28.510   0.4282 -1.138000 0.6768000 
1 1 1   49    3    3 o   24.820   0.4145   24.590   0.5736   25.060   0.5984 -0.4691000 0.8290000 
1 1 1   49    3    4 o   16.040   0.5737   15.480   0.8052   16.590   0.8174 -1.111000 1.147000 
1 1 1   49    3    5 o   3.7450   1.0900   4.0760   1.6120   3.4150   1.4670 0.6607000 2.179000 
1 1 1   49    3    6 o   16.070   0.4401   15.900   0.6291   16.230   0.6158 -0.3362000 0.8803000 
1 1 1   49    3    7 o   8.5890   0.8174   7.9180   1.2480   9.2590   1.0560 -1.340000 1.635000 
1 1 1   49    3    8 o   3.6020   1.0680   4.1740   1.6240   3.0300   1.3880 1.144000 2.137000 
1 1 1   49    3    9 o   11.020   0.6373   10.310   0.9697   11.720   0.8272 -1.403000 1.275000 
1 1 1   49    3   10 o   14.010   0.5712   13.720   0.8383   14.290   0.7760 -0.5621000 1.142000 
1 1 1   49    3   11 o   6.4870   1.0790   5.4270   1.7000   7.5470   1.3310 -2.120000 2.159000 
1 1 1   49    3   12 o   4.0720   1.1660   3.4720   1.5630   4.6720   1.7300 -1.200000 2.331000 
1 1 1   49    3   13 o   6.6790   1.1200   6.5100   1.6190   6.8480   1.5470 -0.3377000 2.239000 
1 1 1   49    3   14 o   9.9470   0.7725   10.230   1.0630   9.6620   1.1210 0.5705000 1.545000 
1 1 1   49    3   15 o   4.7260   1.2870   3.9820   1.7550   5.4700   1.8830 -1.488000 2.574000 
1 1 1   49    3   16 o   4.2740   1.2020   3.5980   1.5950   4.9500   1.7980 -1.351000 2.404000 
1 1 1   49    3   17 o   4.4270   1.3130   3.5420   1.6340   5.3120   2.0560 -1.770000 2.627000 
1 1 1   49    3   18 o   3.5290   1.1290   3.5700   1.6060   3.4880   1.5870 0.8203000E-01 2.257000 
1 1 1   49    3   19 o   5.6720   1.1680   7.6570   1.6480   3.6870   1.6550 3.970000 2.336000 
1 1 1   49    3   20 o   3.0590   1.0380   3.1960   1.5140   2.9210   1.4210 0.2749000 2.076000 
1 1 1   49    3   21 o   3.9760   1.2220   4.2090   1.7730   3.7430   1.6830 0.4660000 2.445000 
1 1 1   49    3   22 o   3.9990   1.2220   4.4720   1.8350   3.5270   1.6150 0.9453000 2.444000 
1 1 1   49    3   23 o   5.2740   1.3980   5.9440   2.0210   4.6050   1.9330 1.339000 2.797000 
1 1 1   49    3   24 o   2.8560   1.0030   2.5100   1.2670   3.2020   1.5550 -0.6912000 2.006000 
1 1 1   49    3   25 o   2.9600   1.0340   3.0470   1.4970   2.8720   1.4250 0.1752000 2.067000 
1 1 1   49    5    0 o   25.520   0.3263   25.430   0.4598   25.600   0.4632 -0.1733000 0.6527000 
1 1 1   49    5    1 o   22.440   0.3102   22.090   0.4400   22.790   0.4374 -0.6928000 0.6205000 
1 1 1   49    5    2 o   22.220   0.3224   21.520   0.4565   22.930   0.4555 -1.410000 0.6448000 
1 1 1   49    5    3 o   5.4060   1.0790   4.4750   1.6190   6.3370   1.4270 -1.862000 2.159000 
1 1 1   49    5    4 o   9.2170   1.0250   9.5590   1.3760   8.8750   1.5190 0.6844000 2.050000 
1 1 1   49    5    5 o   8.4730   0.9036   8.9100   1.3690   8.0360   1.1800 0.8740000 1.807000 
1 1 1   49    5    6 o   5.2700   1.1130   4.0190   1.6910   6.5210   1.4480 -2.502000 2.227000 
1 1 1   49    5    7 o   20.330   0.4302   20.190   0.6814   20.460   0.5254 -0.2703000 0.8605000 
1 1 1   49    5    8 o   12.250   0.6938   11.900   1.1090   12.610   0.8347 -0.7117000 1.388000 
1 1 1   49    5    9 o   7.6770   1.1050   8.9790   1.4960   6.3750   1.6260 2.604000 2.210000 
1 1 1   49    5   10 o   4.0940   1.2020   4.0550   1.7630   4.1320   1.6330 -0.7714000E-01 2.403000 
1 1 1   49    5   11 o   4.2450   1.1840   5.6590   1.9550   2.8310   1.3340 2.829000 2.367000 
1 1 1   49    5   12 o   4.3780   1.3480   4.9150   2.1400   3.8420   1.6390 1.072000 2.696000 
1 1 1   49    5   13 o   5.8920   1.3960   4.9770   2.1780   6.8070   1.7470 -1.831000 2.792000 
1 1 1   49    5   14 o   3.5590   1.1450   3.1950   1.5310   3.9230   1.7020 -0.7276000 2.289000 
1 1 1   49    5   15 o   5.1140   1.2780   4.1310   1.8290   6.0970   1.7870 -1.966000 2.557000 
1 1 1   49    5   16 o   4.5940   1.3130   4.4930   1.9290   4.6950   1.7840 -0.2017000 2.627000 
1 1 1   49    5   17 o   4.6540   1.4510   4.8030   2.1760   4.5060   1.9200 0.2967000 2.902000 
1 1 1   49    5   18 o   6.9000   1.3830   8.3020   2.0150   5.4980   1.8940 2.804000 2.765000 
1 1 1   49    5   19 o   8.2070   1.3200   9.8750   1.8560   6.5380   1.8760 3.337000 2.639000 
1 1 1   49    5   20 o   3.2530   1.5360  ?   ?    3.2530   1.5360      ?      ? 
1 1 1   49    5   21 o   4.6070   1.3590   6.0950   2.2760   3.1190   1.4840 2.977000 2.717000 
1 1 1   49    5   22 o   3.7530   1.2100   3.4120   1.6670   4.0930   1.7550 -0.6813000 2.421000 
1 1 1   49    5   23 o   4.0540   1.3050   3.9690   1.8670   4.1390   1.8230 -0.1698000 2.609000 
1 1 1   49    5   24 o   4.0330   1.3010   4.5930   2.0430   3.4730   1.6120 1.120000 2.602000 
1 1 1   49    5   25 o   2.8620   1.0210   2.8720   1.4720   2.8510   1.4150 0.2079000E-01 2.042000 
1 1 1   49    7    0 f   9.2860   0.7692   9.0630   1.2700   9.5080   0.8681 -0.4447000 1.538000 
1 1 1   49    7    1 o   6.2670   0.9589   7.3510   1.2700   5.1820   1.4370 2.169000 1.918000 
1 1 1   49    7    2 o   17.920   0.3930   17.510   0.6072   18.330   0.4992 -0.8191000 0.7861000 
1 1 1   49    7    3 o   24.690   0.4432  ?   ?    24.690   0.4432      ?      ? 
1 1 1   49    7    4 o   6.7650   1.2630   8.8530   1.7290   4.6760   1.8410 4.177000 2.525000 
1 1 1   49    7    5 o   16.800   0.4740   16.420   0.7447   17.190   0.5865 -0.7685000 0.9480000 
1 1 1   49    7    6 o   4.7890   1.2100   5.3710   1.7850   4.2060   1.6350 1.166000 2.421000 
1 1 1   49    7    7 o   11.120   0.7801   8.8770   1.3390   13.350   0.8009 -4.476000 1.560000 
1 1 1   49    7    8 o   18.040   0.4145   17.520   0.5950   18.550   0.5771 -1.028000 0.8289000 
1 1 1   49    7    9 o   2.9700   1.3780  ?   ?    2.9700   1.3780      ?      ? 
1 1 1   49    7   10 o   4.4040   1.1650   4.7700   1.6800   4.0370   1.6150 0.7336000 2.331000 
1 1 1   49    7   11 o   5.2650   1.1830   4.7860   1.6970   5.7440   1.6480 -0.9588000 2.366000 
1 1 1   49    7   12 o   3.4910   1.1160   3.1290   1.4870   3.8530   1.6660 -0.7236000 2.233000 
1 1 1   49    7   13 o   5.1140   1.3580   4.0610   1.8580   6.1660   1.9800 -2.105000 2.715000 
1 1 1   49    7   14 o   5.6510   1.2080   6.4880   1.6560   4.8140   1.7590 1.674000 2.416000 
1 1 1   49    7   15 o   3.3730   1.0680   2.7460   1.3260   3.9990   1.6740 -1.254000 2.136000 
1 1 1   49    7   16 o   6.1060   1.2250   5.0120   1.7870   7.1990   1.6750 -2.187000 2.450000 
1 1 1   49    7   17 o   10.660   1.0180   10.470   1.3740   10.850   1.5030 -0.3831000 2.037000 
1 1 1   49    7   18 o   4.4680   1.2760   4.5990   1.8210   4.3370   1.7890 0.2616000 2.553000 
1 1 1   49    7   19 o   3.9500   1.1480   2.6190   1.2930   5.2810   1.8970 -2.662000 2.296000 
1 1 1   49    7   20 o   5.5460   1.3430   4.9520   1.8720   6.1400   1.9260 -1.189000 2.686000 
1 1 1   49    7   21 o   4.2850   1.2170   5.5560   1.9530   3.0140   1.4530 2.542000 2.434000 
1 1 1   49    7   22 o   2.7350   0.9641   2.6500   1.3270   2.8200   1.3990 -0.1703000 1.928000 
1 1 1   49    7   23 o   3.7670   1.1910   4.1930   1.7960   3.3400   1.5640 0.8524000 2.381000 
1 1 1   49    7   24 o   4.5890   1.3170   4.8230   1.9120   4.3540   1.8120 0.4682000 2.634000 
1 1 1   49    7   25 o   2.6040   0.9308   2.6580   1.3480   2.5510   1.2840 0.1072000 1.862000 
1 1 1   49    9    0 o   15.140   0.4859   15.740   0.6902   14.530   0.6841 1.207000 0.9718000 
1 1 1   49    9    1 o   13.670   0.4183   13.400   0.5887   13.940   0.5945 -0.5417000 0.8366000 
1 1 1   49    9    2 f   4.4260   1.0280   3.5560   1.4310   5.2960   1.4760 -1.739000 2.055000 
1 1 1   49    9    3 f   11.950   0.5446   12.430   0.7216   11.470   0.8158 0.9581000 1.089000 
1 1 1   49    9    4 o   4.4980   1.2230   5.3030   1.7710   3.6940   1.6880 1.610000 2.447000 
1 1 1   49    9    5 o   17.610   0.3936   18.090   0.5367   17.130   0.5758 0.9589000 0.7871000 
1 1 1   49    9    6 o   10.770   0.6220   10.770   0.8806   10.760   0.8786 0.6262000E-02 1.244000 
1 1 1   49    9    7 o   4.4190   1.1380   4.1320   1.5870   4.7050   1.6310 -0.5734000 2.276000 
1 1 1   49    9    8 o   3.3960   1.0170   4.1140   1.5860   2.6770   1.2730 1.437000 2.034000 
1 1 1   49    9    9 o   2.9440   0.9642   2.8010   1.3190   3.0870   1.4070 -0.2866000 1.928000 
1 1 1   49    9   10 o   13.580   0.5410   13.770   0.7432   13.390   0.7864 0.3823000 1.082000 
1 1 1   49    9   11 o   11.760   0.7276   10.690   1.1390   12.840   0.9056 -2.142000 1.455000 
1 1 1   49    9   12 o   6.2130   1.4620   6.7900   2.1570   5.6350   1.9740 1.155000 2.924000 
1 1 1   49    9   13 f   7.4330   1.1590   5.7460   1.9390   9.1200   1.2710 -3.375000 2.319000 
1 1 1   49    9   14 o   3.6210   1.1000   4.3590   1.7110   2.8830   1.3830 1.476000 2.200000 
1 1 1   49    9   15 o   3.8520   1.1690   3.6250   1.5940   4.0790   1.7120 -0.4542000 2.339000 
1 1 1   49    9   16 o   6.6860   1.2280   7.2940   1.6280   6.0780   1.8380 1.216000 2.456000 
1 1 1   49    9   17 o   6.1330   1.4040   7.0110   1.9200   5.2560   2.0480 1.755000 2.807000 
1 1 1   49    9   18 o   8.0010   1.1290   8.8890   1.3720   7.1140   1.7940 1.775000 2.258000 
1 1 1   49    9   19 o   4.0230   1.2180   4.2190   1.7440   3.8260   1.7000 0.3928000 2.435000 
1 1 1   49    9   20 o   4.9790   1.3290   5.4290   1.9030   4.5290   1.8550 0.8999000 2.658000 
1 1 1   49    9   21 o   3.6950   1.2020   3.3650   1.5970   4.0250   1.7970 -0.6594000 2.404000 
1 1 1   49    9   22 o   2.9150   1.0020   2.8510   1.3950   2.9790   1.4390 -0.1273000 2.004000 
1 1 1   49    9   23 o   3.1670   1.0590   3.8760   1.7250   2.4580   1.2270 1.418000 2.117000 
1 1 1   49    9   24 o   2.4510   0.8723   2.6890   1.3290   2.2130   1.1300 0.4760000 1.745000 
1 1 1   49   11    0 o   12.860   0.4698   12.480   0.6530   13.250   0.6755 -0.7700000 0.9396000 
1 1 1   49   11    1 o   10.830   0.5325   10.360   0.7462   11.310   0.7597 -0.9410000 1.065000 
1 1 1   49   11    2 o   4.3290   0.9952   5.4000   1.3970   3.2580   1.4170 2.142000 1.990000 
1 1 1   49   11    3 o   8.0970   0.9772   8.7860   1.0510   7.4090   1.6480 1.376000 1.954000 
1 1 1   49   11    4 o   5.8720   1.1520   6.7530   1.4080   4.9900   1.8240 1.762000 2.305000 
1 1 1   49   11    5 o   8.7050   0.7735   9.1900   0.9210   8.2200   1.2430 0.9700000 1.547000 
1 1 1   49   11    6 o   12.050   0.6009   12.520   0.7753   11.570   0.9182 0.9476000 1.202000 
1 1 1   49   11    7 o   11.520   0.5958   11.990   0.7765   11.060   0.9039 0.9302000 1.192000 
1 1 1   49   11    8 o   7.3610   0.9812   7.7770   1.2500   6.9440   1.5120 0.8325000 1.962000 
1 1 1   49   11    9 o   9.9970   0.7849   9.9040   1.1350   10.090   1.0850 -0.1870000 1.570000 
1 1 1   49   11   10 f   7.1140   1.1260   7.9740   1.4550   6.2550   1.7180 1.719000 2.252000 
1 1 1   49   11   11 o   4.7580   1.1530   3.5500   1.5410   5.9670   1.7150 -2.417000 2.306000 
1 1 1   49   11   12 o   5.2340   1.3060   4.2180   1.8040   6.2500   1.8890 -2.032000 2.612000 
1 1 1   49   11   13 o   3.9360   1.1550   3.2110   1.4840   4.6600   1.7690 -1.449000 2.309000 
1 1 1   49   11   14 o   3.8430   1.1680   3.5230   1.5750   4.1620   1.7240 -0.6393000 2.335000 
1 1 1   49   11   15 o   5.7990   1.2840   6.1840   1.7580   5.4150   1.8710 0.7687000 2.567000 
1 1 1   49   11   16 o   3.6100   1.1790   3.5760   1.6320   3.6430   1.7030 -0.6628000E-01 2.359000 
1 1 1   49   11   17 o   3.2320   1.1060   2.6710   1.3270   3.7940   1.7690 -1.123000 2.211000 
1 1 1   49   11   18 o   3.1950   1.0660   2.8500   1.3850   3.5400   1.6200 -0.6901000 2.131000 
1 1 1   49   11   19 o   5.1110   1.2400   6.9770   1.9360   3.2440   1.5500 3.733000 2.480000 
1 1 1   49   11   20 o   2.7680   0.9710   2.7080   1.3440   2.8270   1.4020 -0.1189000 1.942000 
1 1 1   49   11   21 o   3.1630   1.0650   3.4150   1.5880   2.9110   1.4190 0.5039000 2.129000 
1 1 1   49   11   22 o   2.8400   0.9818   2.9580   1.4350   2.7230   1.3410 0.2355000 1.964000 
1 1 1   49   11   23 o   2.4010   0.8530   2.6160   1.2970   2.1860   1.1080 0.4303000 1.706000 
1 1 1   49   13    0 o   3.7480   1.0270   3.9210   1.4440   3.5760   1.4600 0.3448000 2.053000 
1 1 1   49   13    1 o   11.330   0.5332   11.340   0.7189   11.330   0.7875 0.5980000E-02 1.066000 
1 1 1   49   13    2 o   21.830   0.4016   22.250   0.5154   21.420   0.6161 0.8317000 0.8032000 
1 1 1   49   13    3 o   20.530   0.3722   20.870   0.5331   20.180   0.5195 0.6970000 0.7443000 
1 1 1   49   13    4 o   13.040   0.4957   12.840   0.6783   13.240   0.7231 -0.3984000 0.9914000 
1 1 1   49   13    5 f   11.130   0.6184   10.430   0.8979   11.840   0.8506 -1.411000 1.237000 
1 1 1   49   13    6 o   7.2290   0.9961   6.8410   1.4290   7.6170   1.3880 -0.7755000 1.992000 
1 1 1   49   13    7 f   11.020   0.6762   11.220   0.8830   10.830   1.0240 0.3958000 1.352000 
1 1 1   49   13    8 o   8.0360   0.9417   9.5670   1.0180   6.5050   1.5850 3.061000 1.883000 
1 1 1   49   13    9 o   4.0490   1.1130   4.8160   1.6510   3.2820   1.4940 1.534000 2.227000 
1 1 1   49   13   10 o   8.1270   0.9615   8.1910   1.2980   8.0640   1.4180 0.1269000 1.923000 
1 1 1   49   13   11 o   6.6620   1.3770   6.4850   1.9940   6.8400   1.9000 -0.3548000 2.754000 
1 1 1   49   13   12 o   4.8490   1.3210   5.4100   1.9950   4.2880   1.7330 1.122000 2.642000 
1 1 1   49   13   13 o   3.3540   1.0690   3.9820   1.6730   2.7260   1.3300 1.256000 2.138000 
1 1 1   49   13   14 o   3.9670   1.1880   3.3300   1.5290   4.6040   1.8190 -1.274000 2.376000 
1 1 1   49   13   15 o   4.3640   1.2500   4.0390   1.7100   4.6900   1.8230 -0.6511000 2.499000 
1 1 1   49   13   16 o   5.9610   1.3820   4.4600   1.8620   7.4620   2.0440 -3.002000 2.765000 
1 1 1   49   13   17 o   4.1470   1.2420   4.2300   1.7630   4.0640   1.7500 0.1662000 2.484000 
1 1 1   49   13   18 o   3.2120   1.0840   3.3110   1.5640   3.1140   1.5010 0.1974000 2.168000 
1 1 1   49   13   19 o   4.1640   1.2350   4.8280   1.8700   3.4990   1.6130 1.329000 2.470000 
1 1 1   49   13   20 o   2.9520   1.0080   2.6350   1.3070   3.2680   1.5360 -0.6332000 2.017000 
1 1 1   49   13   21 f   2.8070   0.9686   2.3610   1.1900   3.2520   1.5280 -0.8907000 1.937000 
1 1 1   49   13   22 o   3.2260   1.0730   3.1150   1.4830   3.3370   1.5500 -0.2218000 2.145000 
1 1 1   49   15    0 o   12.200   0.6694   12.750   0.8311   11.640   1.0500 1.106000 1.339000 
1 1 1   49   15    1 o   20.560   0.4615   21.010   0.5985   20.110   0.7028 0.9050000 0.9231000 
1 1 1   49   15    2 o   18.890   0.4016   18.670   0.5472   19.100   0.5880 -0.4341000 0.8032000 
1 1 1   49   15    3 o   7.9270   0.9083   6.4610   1.4370   9.3930   1.1110 -2.932000 1.817000 
1 1 1   49   15    4 o   3.8320   1.0830   4.2080   1.5620   3.4560   1.5000 0.7522000 2.166000 
1 1 1   49   15    5 o   6.2960   1.0750   6.9910   1.3450   5.6010   1.6780 1.390000 2.151000 
1 1 1   49   15    6 o   10.200   0.7335   11.580   0.8126   8.8190   1.2210 2.763000 1.467000 
1 1 1   49   15    7 o   10.740   0.6813   10.650   0.9111   10.840   1.0130 -0.1894000 1.363000 
1 1 1   49   15    8 f   6.2250   1.1480   6.4800   1.5040   5.9700   1.7350 0.5104000 2.296000 
1 1 1   49   15    9 o   8.9700   1.0880   11.780   0.9979   6.1550   1.9340 5.629000 2.177000 
1 1 1   49   15   10 o   8.2180   1.2420   6.7230   1.9810   9.7130   1.5000 -2.990000 2.485000 
1 1 1   49   15   11 o   4.0750   1.2490   4.6130   1.9230   3.5370   1.5950 1.077000 2.498000 
1 1 1   49   15   12 o   6.4100   1.1850   8.0010   1.5080   4.8190   1.8280 3.182000 2.369000 
1 1 1   49   15   13 o   7.5800   1.1590   9.2540   1.3440   5.9070   1.8880 3.346000 2.318000 
1 1 1   49   15   14 o   3.4920   1.1240   2.8980   1.4020   4.0850   1.7580 -1.187000 2.249000 
1 1 1   49   15   15 o   3.2710   1.1140   3.2560   1.5600   3.2860   1.5910 -0.2963000E-01 2.228000 
1 1 1   49   15   16 o   7.3380   1.3260   8.9570   1.6840   5.7200   2.0480 3.237000 2.652000 
1 1 1   49   15   17 f   5.3230   1.4160   4.8740   1.9420   5.7720   2.0610 -0.8981000 2.832000 
1 1 1   49   15   18 o   3.1160   1.0490   2.7460   1.3500   3.4850   1.6070 -0.7389000 2.099000 
1 1 1   49   15   19 o   3.2210   1.0720   2.9170   1.4140   3.5250   1.6110 -0.6077000 2.143000 
1 1 1   49   15   20 o   2.8910   0.9919   2.7290   1.3390   3.0530   1.4640 -0.3242000 1.984000 
1 1 1   49   15   21 o   2.7680   0.9741   2.6810   1.3430   2.8550   1.4120 -0.1743000 1.948000 
1 1 1   49   17    0 o   10.990   0.5958   11.460   0.8022   10.510   0.8812 0.9482000 1.192000 
1 1 1   49   17    1 o   8.8110   0.7662   9.5990   0.9612   8.0230   1.1930 1.575000 1.532000 
1 1 1   49   17    2 o   5.1210   1.1620   4.8980   1.6250   5.3440   1.6630 -0.4453000 2.325000 
1 1 1   49   17    3 o   8.5260   0.9059   10.400   0.9140   6.6540   1.5640 3.744000 1.812000 
1 1 1   49   17    4 o   13.550   0.5446   14.220   0.6841   12.880   0.8474 1.335000 1.089000 
1 1 1   49   17    5 o   4.6200   1.1660   5.2520   1.6470   3.9890   1.6520 1.263000 2.333000 
1 1 1   49   17    6 o   4.3190   1.1570   5.0240   1.6840   3.6130   1.5870 1.411000 2.314000 
1 1 1   49   17    7 o   6.4930   1.1610   6.3580   1.5950   6.6280   1.6880 -0.2701000 2.322000 
1 1 1   49   17    8 o   4.0700   1.1550   3.1490   1.4380   4.9900   1.8080 -1.841000 2.310000 
1 1 1   49   17    9 o   5.0800   1.3970   5.3270   1.9940   4.8340   1.9570 0.4927000 2.794000 
1 1 1   49   17   10 f   3.7530   1.1430   4.3670   1.7390   3.1400   1.4840 1.227000 2.286000 
1 1 1   49   17   11 o   4.6140   1.1970   5.9410   1.8300   3.2880   1.5430 2.653000 2.394000 
1 1 1   49   17   12 o   6.6200   1.2570   7.5750   1.6430   5.6650   1.9040 1.910000 2.515000 
1 1 1   49   17   13 o   2.7460   0.9534   2.4780   1.2350   3.0150   1.4530 -0.5379000 1.907000 
1 1 1   49   17   14 f   4.3150   1.3720   4.4440   1.9600   4.1860   1.9220 0.2580000 2.745000 
1 1 1   49   17   15 o   6.7390   1.3950   6.2260   2.0750   7.2520   1.8660 -1.026000 2.790000 
1 1 1   49   17   16 o   3.2020   1.0700   2.9360   1.4200   3.4690   1.6000 -0.5328000 2.139000 
1 1 1   49   17   17 o   3.6970   1.1590   4.3090   1.7860   3.0860   1.4770 1.223000 2.317000 
1 1 1   49   17   18 o   2.7340   0.9500   2.9060   1.4090   2.5610   1.2750 0.3458000 1.900000 
1 1 1   49   17   19 o   2.5680   0.9030   2.5250   1.2580   2.6110   1.2960 -0.8563000E-01 1.806000 
1 1 1   49   17   20 o   1.8250   0.6724   1.8280   0.9523   1.8220   0.9496 0.5399000E-02 1.345000 
1 1 1   49   19    0 o   3.7600   1.0910   3.1420   1.4090   4.3780   1.6650 -1.236000 2.181000 
1 1 1   49   19    1 o   8.7220   0.8308   8.5160   1.1330   8.9270   1.2150 -0.4111000 1.662000 
1 1 1   49   19    2 o   3.8670   1.0960   4.6120   1.6520   3.1220   1.4410 1.491000 2.192000 
1 1 1   49   19    3 o   12.400   0.6168   12.340   0.8432   12.450   0.9003 -0.1080000 1.234000 
1 1 1   49   19    4 o   6.7070   1.1290   7.1380   1.4840   6.2750   1.7020 0.8621000 2.258000 
1 1 1   49   19    5 f   3.3180   1.0590   2.9560   1.3890   3.6800   1.6000 -0.7236000 2.118000 
1 1 1   49   19    6 o   4.8910   1.1980   5.8140   1.7060   3.9680   1.6820 1.846000 2.395000 
1 1 1   49   19    7 o   3.4570   1.1520   3.7820   1.7310   3.1320   1.5210 0.6497000 2.304000 
1 1 1   49   19    8 o   4.4180   1.3020   3.3520   1.5960   5.4840   2.0570 -2.132000 2.604000 
1 1 1   49   19    9 f   4.7200   1.2000   3.2910   1.5130   6.1500   1.8640 -2.858000 2.401000 
1 1 1   49   19   10 o   3.1850   1.0690   3.1410   1.4970   3.2290   1.5280 -0.8807000E-01 2.139000 
1 1 1   49   19   11 o   4.9940   1.3700   4.6800   1.8800   5.3070   1.9950 -0.6274000 2.741000 
1 1 1   49   19   12 o   4.2380   1.2930   4.2430   1.8240   4.2330   1.8320 0.9569000E-02 2.585000 
1 1 1   49   19   13 o   4.5200   1.3520   3.8380   1.7500   5.2030   2.0600 -1.366000 2.703000 
1 1 1   49   19   14 o   4.5900   1.2850   3.8690   1.7080   5.3100   1.9190 -1.441000 2.569000 
1 1 1   49   19   15 o   3.4350   1.1090   4.1240   1.7570   2.7460   1.3530 1.377000 2.217000 
1 1 1   49   19   16 o   2.5650   0.9026   2.2110   1.1200   2.9190   1.4160 -0.7080000 1.805000 
1 1 1   49   19   17 o   2.4630   0.8714   2.4280   1.2160   2.4980   1.2490 -0.7047000E-01 1.743000 
1 1 1   49   19   18 o   2.6690   0.9514   2.8570   1.4030   2.4820   1.2860 0.3746000 1.903000 
1 1 1   49   21    0 o   3.4140   1.0770   3.2220   1.4710   3.6060   1.5740 -0.3835000 2.154000 
1 1 1   49   21    1 o   5.7800   1.2310   5.2440   1.7500   6.3160   1.7310 -1.072000 2.461000 
1 1 1   49   21    2 o   8.8080   0.9415   9.6400   1.1840   7.9770   1.4640 1.662000 1.883000 
1 1 1   49   21    3 o   9.1840   0.8969   9.7000   1.1630   8.6680   1.3660 1.031000 1.794000 
1 1 1   49   21    4 o   10.300   0.8238   10.500   1.0990   10.110   1.2280 0.3891000 1.648000 
1 1 1   49   21    5 o   3.9740   1.2630   3.7920   1.7350   4.1570   1.8340 -0.3654000 2.525000 
1 1 1   49   21    6 o   3.4140   1.1710   3.4940   1.6910   3.3340   1.6210 0.1605000 2.342000 
1 1 1   49   21    7 f   3.4920   1.1220   2.8030   1.3650   4.1800   1.7800 -1.377000 2.244000 
1 1 1   49   21    8 o   3.4480   1.1370   3.4960   1.6150   3.3990   1.6020 0.9683000E-01 2.275000 
1 1 1   49   21    9 o   5.1380   1.3390   5.1990   1.8720   5.0770   1.9140 0.1228000 2.678000 
1 1 1   49   21   10 o   4.1790   1.1700   5.5240   1.8860   2.8340   1.3840 2.690000 2.340000 
1 1 1   49   21   11 o   3.0580   1.0530   3.4210   1.6150   2.6950   1.3520 0.7257000 2.106000 
1 1 1   49   21   12 o   2.9700   1.0380   2.5350   1.2760   3.4060   1.6370 -0.8709000 2.076000 
1 1 1   49   21   13 o   3.2720   1.0850   2.9270   1.4100   3.6180   1.6490 -0.6904000 2.170000 
1 1 1   49   21   14 o   3.0210   1.0290   3.5220   1.6270   2.5200   1.2590 1.002000 2.057000 
1 1 1   49   21   15 o   2.3420   0.8413   2.2140   1.1290   2.4700   1.2480 -0.2564000 1.683000 
1 1 1   49   21   16 o   1.9400   0.7122   1.9450   1.0070   1.9350   1.0080 0.1038000E-01 1.424000 
1 1 1   49   23    0 o   3.7010   1.1430   2.9340   1.4100   4.4680   1.7980 -1.534000 2.285000 
1 1 1   49   23    1 f   4.5900   1.3480   4.7010   1.8250   4.4800   1.9850 0.2207000 2.697000 
1 1 1   49   23    2 o   6.8420   1.5380   5.9130   2.2030   7.7700   2.1480 -1.857000 3.077000 
1 1 1   49   23    3 o   3.9520   1.2980   3.6080   1.7240   4.2960   1.9420 -0.6878000 2.597000 
1 1 1   49   23    4 o   6.2530   1.2440   7.2830   1.6470   5.2220   1.8650 2.062000 2.488000 
1 1 1   49   23    5 o   5.5130   1.2560   6.6090   1.7640   4.4170   1.7880 2.192000 2.512000 
1 1 1   49   23    6 o   4.1770   1.2090   4.9840   1.8240   3.3700   1.5870 1.614000 2.418000 
1 1 1   49   23    7 o   4.1940   1.2360   4.3900   1.7600   3.9990   1.7350 0.3911000 2.471000 
1 1 1   49   23    8 o   2.7550   0.9533   2.4980   1.2420   3.0110   1.4470 -0.5130000 1.907000 
1 1 1   49   23    9 o   3.3890   1.1260   3.8690   1.7340   2.9090   1.4380 0.9602000 2.252000 
1 1 1   49   23   10 o   3.1630   1.0840   2.9740   1.4530   3.3520   1.6090 -0.3777000 2.168000 
1 1 1   49   23   11 o   2.5510   0.8946   2.8980   1.3960   2.2050   1.1200 0.6938000 1.789000 
1 1 1   49   23   12 o   2.1420   0.7744   2.0870   1.0680   2.1960   1.1210 -0.1090000 1.549000 
1 1 1   49   23   13 o   1.9840   0.7214   2.0450   1.0480   1.9230   0.9914 0.1215000 1.443000 
1 1 1   49   25    0 o   3.8570   1.1900   4.0830   1.7300   3.6310   1.6330 0.4514000 2.379000 
1 1 1   49   25    1 o   3.5730   1.1080   2.6510   1.2970   4.4960   1.7970 -1.845000 2.216000 
1 1 1   49   25    2 o   4.4610   1.2480   4.6860   1.7820   4.2360   1.7490 0.4496000 2.497000 
1 1 1   49   25    3 o   3.6840   1.1120   2.6280   1.2880   4.7400   1.8140 -2.112000 2.225000 
1 1 1   49   25    4 o   3.3830   1.0930   3.6830   1.6200   3.0830   1.4680 0.5999000 2.186000 
1 1 1   49   25    5 o   2.9940   1.0070   3.1390   1.4680   2.8490   1.3790 0.2904000 2.014000 
1 1 1   49   25    6 o   3.8640   1.1810   3.5200   1.5800   4.2080   1.7560 -0.6880000 2.362000 
1 1 1   49   25    7 o   2.4810   0.8926   2.6020   1.3130   2.3610   1.2090 0.2415000 1.785000 
1 1 1   49   25    8 o   2.5750   0.9249   2.9580   1.4660   2.1920   1.1280 0.7654000 1.850000 
1 1 1   49   25    9 o   2.2490   0.8076   2.3360   1.1790   2.1620   1.1040 0.1736000 1.615000 
1 1 1   49   25   10 o   1.1170   0.5835  ?   ?    1.1170   0.5835      ?      ? 
1 1 1   49   27    0 o   2.6770   0.9330   2.7500   1.3450   2.6040   1.2940 0.1453000 1.866000 
1 1 1   49   27    1 o   2.7940   0.9668   2.8690   1.3940   2.7180   1.3400 0.1509000 1.934000 
1 1 1   49   27    2 o   2.9660   1.0110   2.6170   1.2940   3.3140   1.5550 -0.6972000 2.023000 
1 1 1   49   27    3 o   2.6430   0.9446   2.7100   1.3550   2.5760   1.3160 0.1342000 1.889000 
1 1 1   49   27    4 o   2.3240   1.1920   2.3240   1.1920  ?   ?       ?      ? 
1 1 1   50    0    0 o   2.5320   1.5880   2.5320   1.5880   2.5320   1.5880 -0.000000 0.000000 
1 1 1   50    0    1 o   12.030   1.2560   12.030   1.2560   12.030   1.2560 0.000000 0.000000 
1 1 1   50    0    2 o   15.020   1.1080   15.020   1.1080   15.020   1.1080 -0.000000 0.000000 
1 1 1   50    0    3 o   6.2750   1.7100   6.2750   1.7100   6.2750   1.7100 0.000000 0.000000 
1 1 1   50    0    4 o   9.5990   0.9925   9.5990   0.9925   9.5990   0.9925 -0.000000 0.000000 
1 1 1   50    0    5 o   11.330   0.8493   11.330   0.8493   11.330   0.8493 0.000000 0.000000 
1 1 1   50    0    6 o   14.440   0.6936   14.440   0.6936   14.440   0.6936 0.000000 0.000000 
1 1 1   50    0    7 o   1.7220   1.2280   1.7220   1.2280   1.7220   1.2280 0.000000 0.000000 
1 1 1   50    0    8 o   4.4950   2.0020   4.4950   2.0020   4.4950   2.0020 -0.000000 0.000000 
1 1 1   50    0    9 o   3.0250   1.7990   3.0250   1.7990   3.0250   1.7990 -0.000000 0.000000 
1 1 1   50    0   10 o   6.9760   1.6700   6.9760   1.6700   6.9760   1.6700 -0.000000 0.000000 
1 1 1   50    0   11 o   19.130   0.7164   19.130   0.7164   19.130   0.7164 -0.000000 0.000000 
1 1 1   50    0   12 o   9.4520   1.1920   9.4520   1.1920   9.4520   1.1920 -0.000000 0.000000 
1 1 1   50    0   13 o   2.4020   1.6030   2.4020   1.6030   2.4020   1.6030 -0.000000 0.000000 
1 1 1   50    0   14 o   5.0700   2.1180   5.0700   2.1180   5.0700   2.1180 -0.000000 0.000000 
1 1 1   50    0   15 o   11.870   0.9807   11.870   0.9807   11.870   0.9807 0.000000 0.000000 
1 1 1   50    0   16 f   15.040   1.2770   15.040   1.2770   15.040   1.2770 0.000000 0.000000 
1 1 1   50    0   17 o   2.5660   1.7070   2.5660   1.7070   2.5660   1.7070 -0.000000 0.000000 
1 1 1   50    0   18 o   3.2740   1.9950   3.2740   1.9950   3.2740   1.9950 -0.000000 0.000000 
1 1 1   50    0   19 o   2.5200   1.7090   2.5200   1.7090   2.5200   1.7090 0.000000 0.000000 
1 1 1   50    0   20 o   2.1850   1.5370   2.1850   1.5370   2.1850   1.5370 -0.000000 0.000000 
1 1 1   50    0   21 o   2.7890   1.8480   2.7890   1.8480   2.7890   1.8480 0.000000 0.000000 
1 1 1   50    0   22 o   1.6000   1.1770   1.6000   1.1770   1.6000   1.1770 -0.000000 0.000000 
1 1 1   50    0   23 o   3.1360   1.9620   3.1360   1.9620   3.1360   1.9620 -0.000000 0.000000 
1 1 1   50    0   24 o   4.1660   2.5090   4.1660   2.5090   4.1660   2.5090 0.000000 0.000000 
1 1 1   50    0   25 o   3.7890   2.1660   3.7890   2.1660   3.7890   2.1660 -0.000000 0.000000 
1 1 1   50    2    0 o   14.200   0.6178   13.060   0.7556   15.340   0.9776 -2.287000 1.236000 
1 1 1   50    2    1 o   18.100   0.3751   18.280   0.5211   17.920   0.5398 0.3576000 0.7503000 
1 1 1   50    2    2 o   15.340   0.4456   15.420   0.6539   15.260   0.6056 0.1576000 0.8913000 
1 1 1   50    2    3 o   18.720   0.4924   18.370   0.6840   19.070   0.7084 -0.7064000 0.9847000 
1 1 1   50    2    4 o   18.140   0.4007   17.810   0.5926   18.460   0.5396 -0.6551000 0.8014000 
1 1 1   50    2    5 o   6.9290   1.0020   6.2040   1.5640   7.6550   1.2530 -1.451000 2.004000 
1 1 1   50    2    6 o   13.970   0.5030   13.680   0.7356   14.270   0.6863 -0.5973000 1.006000 
1 1 1   50    2    7 o   6.3910   1.0080   4.5640   1.6300   8.2190   1.1870 -3.655000 2.016000 
1 1 1   50    2    8 o   5.5470   1.0330   3.8080   1.5690   7.2860   1.3440 -3.478000 2.066000 
1 1 1   50    2    9 o   11.610   0.6100   11.410   0.8886   11.820   0.8359 -0.4023000 1.220000 
1 1 1   50    2   10 o   15.550   0.5172   15.370   0.7383   15.740   0.7244 -0.3772000 1.034000 
1 1 1   50    2   11 o   16.880   0.4844   16.860   0.6487   16.900   0.7195 -0.4173000E-01 0.9688000 
1 1 1   50    2   12 o   5.6400   1.2710   6.1080   1.7970   5.1730   1.7990 0.9347000 2.543000 
1 1 1   50    2   13 o   3.7110   1.0930   4.5030   1.7010   2.9190   1.3750 1.584000 2.187000 
1 1 1   50    2   14 o   9.9380   0.8248   8.6990   1.3150   11.180   0.9964 -2.477000 1.650000 
1 1 1   50    2   15 o   11.610   0.8248   11.270   1.2680   11.960   1.0550 -0.6834000 1.650000 
1 1 1   50    2   16 o   6.0190   1.5660   7.0440   2.3070   4.9940   2.1180 2.050000 3.132000 
1 1 1   50    2   17 o   3.4290   1.1450   3.3380   1.5750   3.5200   1.6620 -0.1814000 2.290000 
1 1 1   50    2   18 o   3.4880   1.1230   3.3110   1.5350   3.6640   1.6400 -0.3531000 2.246000 
1 1 1   50    2   19 o   4.7860   1.2990   5.0520   1.8580   4.5200   1.8170 0.5328000 2.599000 
1 1 1   50    2   20 o   3.3910   1.0980   2.5960   1.2910   4.1870   1.7770 -1.591000 2.196000 
1 1 1   50    2   21 o   3.6900   1.1730   3.9770   1.7240   3.4030   1.5900 0.5744000 2.346000 
1 1 1   50    2   22 o   4.5430   1.3010   4.3960   1.8030   4.6900   1.8770 -0.2940000 2.602000 
1 1 1   50    2   23 o   2.7960   0.9774   3.0960   1.5040   2.4950   1.2490 0.6003000 1.955000 
1 1 1   50    2   24 o   3.0010   1.0600   3.0880   1.5360   2.9150   1.4610 0.1732000 2.120000 
1 1 1   50    2   25 o   3.8260   1.2280   3.7190   1.7280   3.9330   1.7450 -0.2144000 2.456000 
1 1 1   50    4    0 o   20.340   0.3154   20.020   0.4482   20.650   0.4439 -0.6363000 0.6308000 
1 1 1   50    4    1 o   28.110   0.2920   28.000   0.4073   28.220   0.4184 -0.2205000 0.5839000 
1 1 1   50    4    2 o   26.070   0.3220   25.560   0.4756   26.570   0.4341 -1.010000 0.6439000 
1 1 1   50    4    3 o   8.5030   0.8025   7.5610   1.2970   9.4450   0.9455 -1.884000 1.605000 
1 1 1   50    4    4 o   8.2230   1.0960   7.9780   1.4980   8.4680   1.6000 -0.4900000 2.192000 
1 1 1   50    4    5 o   3.4960   1.0040   4.5350   1.6170   2.4570   1.1900 2.079000 2.008000 
1 1 1   50    4    6 o   4.6590   1.1040   3.8550   1.5640   5.4640   1.5600 -1.608000 2.209000 
1 1 1   50    4    7 o   6.3000   1.0570   6.1350   1.5500   6.4660   1.4380 -0.3308000 2.114000 
1 1 1   50    4    8 f   18.700   0.4024   19.020   0.5685   18.390   0.5698 0.6275000 0.8049000 
1 1 1   50    4    9 o   12.530   0.6211   12.100   0.9055   12.970   0.8503 -0.8667000 1.242000 
1 1 1   50    4   10 o   20.090   0.3962   20.390   0.5527   19.790   0.5679 0.5959000 0.7925000 
1 1 1   50    4   11 o   13.270   0.5625   14.240   0.7417   12.300   0.8458 1.943000 1.125000 
1 1 1   50    4   12 o   3.3750   1.0860   3.6660   1.6240   3.0840   1.4420 0.5823000 2.171000 
1 1 1   50    4   13 o   3.8480   1.1640   3.8970   1.6840   3.7990   1.6060 0.9764000E-01 2.327000 
1 1 1   50    4   14 o   3.8380   1.1950   3.5440   1.6360   4.1330   1.7430 -0.5889000 2.391000 
1 1 1   50    4   15 o   12.690   0.7819   12.440   1.1710   12.940   1.0360 -0.4994000 1.564000 
1 1 1   50    4   16 o   6.4280   1.2500   6.4590   1.7590   6.3970   1.7760 0.6107000E-01 2.500000 
1 1 1   50    4   17 f   3.9300   1.2470   3.2240   1.5380   4.6360   1.9650 -1.412000 2.495000 
1 1 1   50    4   18 o   3.5410   1.1180   2.8040   1.3580   4.2780   1.7750 -1.474000 2.235000 
1 1 1   50    4   19 o   5.4590   1.1860   7.3930   1.7350   3.5240   1.6170 3.869000 2.371000 
1 1 1   50    4   20 o   4.2840   1.2470   3.4420   1.5920   5.1250   1.9190 -1.682000 2.493000 
1 1 1   50    4   21 o   3.7960   1.1910   4.2270   1.7880   3.3650   1.5740 0.8620000 2.382000 
1 1 1   50    4   22 o   4.1150   1.2410   4.6540   1.8640   3.5760   1.6400 1.078000 2.483000 
1 1 1   50    4   23 f   3.3090   1.1200   2.9360   1.4460   3.6810   1.7110 -0.7445000 2.240000 
1 1 1   50    4   24 o   3.1920   1.0740   3.7210   1.6830   2.6640   1.3350 1.058000 2.148000 
1 1 1   50    4   25 o   2.7380   0.9679   3.0290   1.4870   2.4480   1.2400 0.5809000 1.936000 
1 1 1   50    6    0 o   22.650   0.3384   22.550   0.4820   22.760   0.4752 -0.2123000 0.6769000 
1 1 1   50    6    1 o   16.460   0.3642   16.160   0.5197   16.770   0.5103 -0.6104000 0.7283000 
1 1 1   50    6    2 o   27.990   0.2928   27.640   0.4021   28.330   0.4257 -0.6937000 0.5856000 
1 1 1   50    6    3 o   5.3460   1.0920   5.4420   1.5640   5.2490   1.5250 0.1929000 2.185000 
1 1 1   50    6    4 o   12.490   0.7186   13.290   0.8921   11.700   1.1270 1.593000 1.437000 
1 1 1   50    6    5 o   17.790   0.3995   17.050   0.5819   18.530   0.5475 -1.480000 0.7989000 
1 1 1   50    6    6 f   6.5060   1.0290   5.9480   1.5560   7.0640   1.3470 -1.116000 2.058000 
1 1 1   50    6    7 o   14.680   0.5122   15.090   0.7078   14.280   0.7406 0.8073000 1.024000 
1 1 1   50    6    8 o   2.5710   0.8842   2.7080   1.3010   2.4350   1.1980 0.2736000 1.768000 
1 1 1   50    6    9 o   4.2390   1.1510   4.9660   1.7290   3.5120   1.5200 1.454000 2.302000 
1 1 1   50    6   10 o   6.9440   1.1810   6.4500   1.9020   7.4380   1.4020 -0.9885000 2.363000 
1 1 1   50    6   11 o   8.3210   1.0900   6.9320   1.8910   9.7090   1.0850 -2.777000 2.180000 
1 1 1   50    6   12 o   10.330   1.1370   10.490   1.9350   10.170   1.1950 0.3221000 2.274000 
1 1 1   50    6   13 o   7.2930   1.4650   6.7370   2.4160   7.8490   1.6590 -1.112000 2.930000 
1 1 1   50    6   14 o   4.9670   1.3160   6.0480   2.0090   3.8870   1.6990 2.161000 2.632000 
1 1 1   50    6   15 f   12.370   0.7940   13.800   1.1680   10.930   1.0760 2.868000 1.588000 
1 1 1   50    6   16 o   10.320   0.9802   11.130   1.4750   9.5050   1.2920 1.627000 1.960000 
1 1 1   50    6   17 o   5.9570   1.6130   5.7430   2.4220   6.1710   2.1310 -0.4282000 3.226000 
1 1 1   50    6   18 o   6.9410   1.3730   5.9440   2.1800   7.9370   1.6710 -1.992000 2.747000 
1 1 1   50    6   19 o   4.5390   1.3580   4.3990   1.9710   4.6790   1.8690 -0.2796000 2.716000 
1 1 1   50    6   20 o   4.7250   1.3030   6.9350   2.2830   2.5150   1.2550 4.420000 2.605000 
1 1 1   50    6   21 o   5.1070   1.4150   6.7160   2.3260   3.4980   1.6120 3.218000 2.830000 
1 1 1   50    6   22 o   3.4730   1.6370  ?   ?    3.4730   1.6370      ?      ? 
1 1 1   50    6   23 o   2.6280   0.9317   2.5480   1.2990   2.7090   1.3360 -0.1611000 1.863000 
1 1 1   50    6   24 o   2.4300   0.8778   2.6170   1.3300   2.2430   1.1460 0.3742000 1.756000 
1 1 1   50    8    0 o   15.840   0.5082   15.440   0.8297   16.250   0.5870 -0.8141000 1.016000 
1 1 1   50    8    1 o   22.490   0.3330   22.400   0.5041   22.590   0.4352 -0.1941000 0.6659000 
1 1 1   50    8    2 o   15.460   0.4250   15.270   0.6529   15.640   0.5444 -0.3747000 0.8501000 
1 1 1   50    8    3 o   10.730   0.6139   11.820   0.8406   9.6380   0.8949 2.184000 1.228000 
1 1 1   50    8    4 o   7.4040   1.3610   7.3350   1.8780   7.4730   1.9690 -0.1378000 2.721000 
1 1 1   50    8    5 o   14.490   0.5286   13.830   0.8058   15.160   0.6843 -1.332000 1.057000 
1 1 1   50    8    6 o   7.7730   1.0030   7.5980   1.5000   7.9480   1.3310 -0.3505000 2.006000 
1 1 1   50    8    7 o   13.270   0.5969   12.470   0.9731   14.070   0.6916 -1.601000 1.194000 
1 1 1   50    8    8 o   10.800   0.7118   11.100   1.0820   10.500   0.9245 0.6011000 1.424000 
1 1 1   50    8    9 o   3.9220   1.1570   4.1120   1.7110   3.7330   1.5570 0.3790000 2.313000 
1 1 1   50    8   10 o   9.6410   0.8098   10.380   1.1610   8.8990   1.1300 1.484000 1.620000 
1 1 1   50    8   11 o   4.3050   1.2050   4.8420   1.8100   3.7690   1.5900 1.073000 2.409000 
1 1 1   50    8   12 o   5.9000   1.3770   4.6000   1.9980   7.2000   1.8960 -2.600000 2.755000 
1 1 1   50    8   13 o   6.2340   1.4160   7.0560   2.1960   5.4130   1.7870 1.643000 2.831000 
1 1 1   50    8   14 f   6.0980   1.2420   5.5630   1.7940   6.6340   1.7180 -1.071000 2.484000 
1 1 1   50    8   15 o   8.6780   0.9869   8.4350   1.4260   8.9200   1.3650 -0.4845000 1.974000 
1 1 1   50    8   16 o   5.4240   1.2760   5.9340   1.7850   4.9140   1.8230 1.020000 2.552000 
1 1 1   50    8   17 o   5.8510   1.4080   6.5520   1.9370   5.1490   2.0440 1.403000 2.816000 
1 1 1   50    8   18 o   3.2180   1.0700   3.2590   1.5230   3.1780   1.5030 0.8092000E-01 2.140000 
1 1 1   50    8   19 f   4.4200   1.2790   4.6030   1.8300   4.2370   1.7880 0.3659000 2.558000 
1 1 1   50    8   20 o   4.8090   1.2250   6.3390   1.8960   3.2790   1.5510 3.060000 2.450000 
1 1 1   50    8   21 o   5.5190   1.4240   4.9150   1.9960   6.1220   2.0300 -1.207000 2.847000 
1 1 1   50    8   22 o   4.1400   1.2590   4.3710   1.8400   3.9100   1.7210 0.4608000 2.519000 
1 1 1   50    8   23 o   2.8680   0.9916   2.7720   1.3690   2.9630   1.4350 -0.1909000 1.983000 
1 1 1   50    8   24 o   2.8500   1.0100   3.0140   1.5080   2.6860   1.3450 0.3275000 2.021000 
1 1 1   50   10    0 o   10.090   0.5978   10.660   0.8055   9.5280   0.8836 1.131000 1.196000 
1 1 1   50   10    1 o   16.280   0.3936   15.780   0.5548   16.780   0.5586 -0.9987000 0.7873000 
1 1 1   50   10    2 o   17.930   0.3823   17.490   0.5347   18.360   0.5466 -0.8746000 0.7646000 
1 1 1   50   10    3 o   13.120   0.4701   12.870   0.6522   13.370   0.6771 -0.5045000 0.9401000 
1 1 1   50   10    4 o   6.2460   1.1970   5.4280   1.6350   7.0630   1.7500 -1.634000 2.395000 
1 1 1   50   10    5 o   3.0440   0.9685   2.9650   1.3320   3.1230   1.4060 -0.1576000 1.937000 
1 1 1   50   10    6 o   11.220   0.6052   10.540   0.8755   11.900   0.8357 -1.359000 1.210000 
1 1 1   50   10    7 o   9.0640   0.7545   8.8520   1.0640   9.2760   1.0700 -0.4241000 1.509000 
1 1 1   50   10    8 o   14.180   0.5004   14.200   0.6883   14.160   0.7264 0.3584000E-01 1.001000 
1 1 1   50   10    9 o   10.600   0.7525   10.390   1.1000   10.810   1.0270 -0.4215000 1.505000 
1 1 1   50   10   10 o   3.3570   1.0800   3.6660   1.6150   3.0480   1.4330 0.6181000 2.159000 
1 1 1   50   10   11 o   4.0340   1.1340   4.7890   1.7050   3.2800   1.4950 1.509000 2.267000 
1 1 1   50   10   12 o   4.0180   1.2290   3.7860   1.6970   4.2490   1.7800 -0.4628000 2.459000 
1 1 1   50   10   13 o   3.6230   1.1300   3.5160   1.5670   3.7310   1.6270 -0.2147000 2.259000 
1 1 1   50   10   14 o   8.5120   1.0250   9.5840   1.2070   7.4390   1.6580 2.144000 2.051000 
1 1 1   50   10   15 o   4.0380   1.2080   3.8270   1.6550   4.2490   1.7610 -0.4217000 2.417000 
1 1 1   50   10   16 o   5.2810   1.3100   5.6040   1.8300   4.9570   1.8740 0.6471000 2.619000 
1 1 1   50   10   17 o   3.7060   1.1990   4.0630   1.7720   3.3490   1.6160 0.7137000 2.398000 
1 1 1   50   10   18 o   4.4020   1.2520   5.0010   1.8520   3.8030   1.6850 1.198000 2.504000 
1 1 1   50   10   19 o   4.7910   1.2790   5.7630   1.9140   3.8190   1.6960 1.944000 2.557000 
1 1 1   50   10   20 o   4.2150   1.2840   4.8040   1.9370   3.6260   1.6840 1.179000 2.567000 
1 1 1   50   10   21 o   2.9260   1.0050   2.8090   1.3780   3.0430   1.4630 -0.2335000 2.010000 
1 1 1   50   10   22 o   3.2070   1.0690   2.8440   1.3910   3.5710   1.6230 -0.7270000 2.138000 
1 1 1   50   10   23 f   2.5220   0.8893   2.9560   1.4260   2.0880   1.0630 0.8682000 1.779000 
1 1 1   50   12    0 o   11.020   0.4976   11.560   0.6355   10.490   0.7659 1.066000 0.9953000 
1 1 1   50   12    1 o   6.7920   0.8625   6.8750   1.1250   6.7080   1.3070 0.1680000 1.725000 
1 1 1   50   12    2 o   14.810   0.4216   14.830   0.5552   14.790   0.6347 0.4572000E-01 0.8432000 
1 1 1   50   12    3 o   4.2130   1.1750   3.9730   1.5600   4.4540   1.7560 -0.4811000 2.349000 
1 1 1   50   12    4 o   3.3450   1.0030   3.5860   1.4440   3.1040   1.3940 0.4823000 2.007000 
1 1 1   50   12    5 o   14.550   0.4528   14.180   0.6211   14.910   0.6589 -0.7361000 0.9055000 
1 1 1   50   12    6 o   13.220   0.5144   13.190   0.6903   13.260   0.7628 -0.6601000E-01 1.029000 
1 1 1   50   12    7 o   7.5660   1.0090   8.4500   1.2370   6.6810   1.5940 1.769000 2.017000 
1 1 1   50   12    8 o   6.1450   1.1830   6.4620   1.6050   5.8270   1.7380 0.6347000 2.366000 
1 1 1   50   12    9 o   9.9200   0.7465   9.5570   1.0380   10.280   1.0730 -0.7258000 1.493000 
1 1 1   50   12   10 o   7.9750   0.9672   7.8840   1.3540   8.0660   1.3820 -0.1824000 1.934000 
1 1 1   50   12   11 o   7.1470   1.2510   8.8050   1.6320   5.4880   1.8980 3.317000 2.503000 
1 1 1   50   12   12 o   6.8310   1.3550   6.7910   1.9690   6.8700   1.8620 -0.7937000E-01 2.710000 
1 1 1   50   12   13 o   6.2860   1.1630   7.9800   1.5050   4.5920   1.7730 3.388000 2.325000 
1 1 1   50   12   14 o   7.2540   1.1710   8.2430   1.4780   6.2650   1.8160 1.978000 2.342000 
1 1 1   50   12   15 o   3.3410   1.0910   2.9810   1.4220   3.7010   1.6540 -0.7202000 2.182000 
1 1 1   50   12   16 o   3.9560   1.2620   3.9050   1.7490   4.0060   1.8190 -0.1014000 2.523000 
1 1 1   50   12   17 o   4.4720   1.2630   3.7000   1.6520   5.2430   1.9100 -1.543000 2.526000 
1 1 1   50   12   18 o   3.7030   1.1830   4.2770   1.8230   3.1290   1.5070 1.149000 2.365000 
1 1 1   50   12   19 o   5.2700   1.3210   6.6550   1.9790   3.8840   1.7500 2.771000 2.642000 
1 1 1   50   12   20 o   2.7420   0.9548   2.7170   1.3390   2.7680   1.3620 -0.5129000E-01 1.910000 
1 1 1   50   12   21 o   3.3730   1.1040   3.8630   1.7080   2.8840   1.3990 0.9787000 2.208000 
1 1 1   50   12   22 o   2.2010   0.7892   2.0680   1.0550   2.3330   1.1740 -0.2655000 1.578000 
1 1 1   50   14    0 o   5.8940   0.9686   6.8200   1.2010   4.9680   1.5200 1.852000 1.937000 
1 1 1   50   14    1 o   14.760   0.5266   15.930   0.6147   13.590   0.8551 2.340000 1.053000 
1 1 1   50   14    2 o   10.490   0.7627   10.900   0.9503   10.070   1.1930 0.8278000 1.525000 
1 1 1   50   14    3 o   15.800   0.4615   15.910   0.6237   15.690   0.6804 0.2269000 0.9230000 
1 1 1   50   14    4 o   12.910   0.5846   13.240   0.7436   12.590   0.9023 0.6439000 1.169000 
1 1 1   50   14    5 o   16.010   0.4764   16.380   0.6323   15.640   0.7128 0.7406000 0.9528000 
1 1 1   50   14    6 o   13.340   0.5269   13.060   0.7320   13.620   0.7580 -0.5654000 1.054000 
1 1 1   50   14    7 o   14.230   0.5328   13.960   0.7074   14.500   0.7969 -0.5405000 1.066000 
1 1 1   50   14    8 o   15.370   0.5160   15.050   0.7337   15.690   0.7258 -0.6371000 1.032000 
1 1 1   50   14    9 o   9.5790   0.8127   9.6280   1.0870   9.5310   1.2090 0.9770000E-01 1.625000 
1 1 1   50   14   10 o   7.9620   1.1260   9.7360   1.1300   6.1870   1.9480 3.549000 2.253000 
1 1 1   50   14   11 o   6.6090   1.4130   6.2900   2.0340   6.9290   1.9620 -0.6395000 2.826000 
1 1 1   50   14   12 o   3.8840   1.1800   3.5810   1.5960   4.1880   1.7390 -0.6076000 2.360000 
1 1 1   50   14   13 o   8.2050   1.0790   8.4380   1.4440   7.9720   1.6030 0.4656000 2.158000 
1 1 1   50   14   14 o   5.4000   1.3030   4.4420   1.7910   6.3580   1.8930 -1.916000 2.607000 
1 1 1   50   14   15 o   3.9940   1.2470   3.9570   1.7040   4.0310   1.8210 -0.7381000E-01 2.494000 
1 1 1   50   14   16 o   4.8700   1.3630   5.6830   2.0190   4.0560   1.8330 1.627000 2.727000 
1 1 1   50   14   17 o   5.1430   1.3880   5.5630   1.9960   4.7240   1.9290 0.8393000 2.775000 
1 1 1   50   14   18 o   3.9220   1.2030   3.3490   1.5620   4.4940   1.8290 -1.144000 2.406000 
1 1 1   50   14   19 o   3.0580   1.0360   2.9400   1.4270   3.1760   1.5020 -0.2360000 2.072000 
1 1 1   50   14   20 o   3.1420   1.0530   3.3370   1.5560   2.9480   1.4200 0.3892000 2.106000 
1 1 1   50   14   21 o   2.2440   0.8027   2.1050   1.0720   2.3830   1.1950 -0.2776000 1.605000 
1 1 1   50   16    0 o   7.0380   1.0510   5.9960   1.5660   8.0810   1.4030 -2.085000 2.103000 
1 1 1   50   16    1 o   11.400   0.5649   11.030   0.7955   11.770   0.8024 -0.7368000 1.130000 
1 1 1   50   16    2 o   21.230   0.3614   21.640   0.4931   20.820   0.5285 0.8162000 0.7228000 
1 1 1   50   16    3 o   12.070   0.5773   11.230   0.8269   12.910   0.8059 -1.678000 1.155000 
1 1 1   50   16    4 o   11.360   0.6276   11.470   0.8252   11.250   0.9457 0.2256000 1.255000 
1 1 1   50   16    5 o   17.810   0.4360   18.280   0.5782   17.350   0.6527 0.9284000 0.8720000 
1 1 1   50   16    6 o   4.9910   1.1760   3.9400   1.5970   6.0410   1.7280 -2.101000 2.353000 
1 1 1   50   16    7 o   3.9520   1.1270   3.1120   1.4230   4.7930   1.7480 -1.681000 2.254000 
1 1 1   50   16    8 o   4.0750   1.1650   4.3520   1.6610   3.7970   1.6340 0.5551000 2.330000 
1 1 1   50   16    9 o   3.6800   1.0970   4.6290   1.7240   2.7310   1.3570 1.898000 2.193000 
1 1 1   50   16   10 o   7.3590   1.3920   7.8930   1.9030   6.8250   2.0330 1.067000 2.785000 
1 1 1   50   16   11 o   4.4000   1.2600   4.2580   1.7350   4.5420   1.8260 -0.2836000 2.519000 
1 1 1   50   16   12 o   7.7200   1.1710   6.1090   1.8200   9.3310   1.4750 -3.223000 2.343000 
1 1 1   50   16   13 o   12.270   0.7873   13.560   0.9334   10.980   1.2680 2.581000 1.575000 
1 1 1   50   16   14 o   14.530   0.6906   15.630   0.9395   13.430   1.0120 2.209000 1.381000 
1 1 1   50   16   15 o   4.1380   1.3400   4.0230   1.8420   4.2540   1.9460 -0.2317000 2.680000 
1 1 1   50   16   16 o   4.1820   1.2390   3.4400   1.5880   4.9240   1.9030 -1.485000 2.479000 
1 1 1   50   16   17 o   3.3240   1.0960   3.6970   1.6610   2.9500   1.4300 0.7470000 2.192000 
1 1 1   50   16   18 o   2.8050   0.9703   2.8810   1.4000   2.7300   1.3440 0.1502000 1.941000 
1 1 1   50   16   19 o   2.6260   0.9180   2.5150   1.2520   2.7370   1.3430 -0.2222000 1.836000 
1 1 1   50   16   20 o   2.0020   0.7300   2.0420   1.0490   1.9610   1.0160 0.8094000E-01 1.460000 
1 1 1   50   18    0 o   9.0510   0.7598   8.9900   1.0480   9.1130   1.1000 -0.1226000 1.520000 
1 1 1   50   18    1 o   12.680   0.5597   13.270   0.7395   12.100   0.8403 1.170000 1.119000 
1 1 1   50   18    2 o   14.040   0.5152   14.140   0.6965   13.950   0.7593 0.1816000 1.030000 
1 1 1   50   18    3 o   11.580   0.6200   11.320   0.8673   11.850   0.8862 -0.5272000 1.240000 
1 1 1   50   18    4 o   4.3860   1.1840   4.7170   1.6800   4.0540   1.6690 0.6633000 2.368000 
1 1 1   50   18    5 o   8.9780   0.8861   9.2830   1.1560   8.6730   1.3440 0.6097000 1.772000 
1 1 1   50   18    6 o   3.2800   1.0550   3.4460   1.5260   3.1140   1.4560 0.3318000 2.109000 
1 1 1   50   18    7 o   4.9370   1.1980   5.7940   1.6930   4.0810   1.6950 1.713000 2.396000 
1 1 1   50   18    8 o   6.4930   1.4180   5.8420   2.0300   7.1440   1.9790 -1.301000 2.835000 
1 1 1   50   18    9 o   5.2760   1.4320   5.2770   2.0090   5.2760   2.0410 0.1030000E-02 2.865000 
1 1 1   50   18   10 o   7.6630   1.1630   8.7280   1.3670   6.5980   1.8830 2.129000 2.327000 
1 1 1   50   18   11 o   3.5490   1.1500   3.6870   1.6620   3.4110   1.5890 0.2756000 2.299000 
1 1 1   50   18   12 o   5.9830   1.3970   5.3310   1.9360   6.6360   2.0160 -1.306000 2.795000 
1 1 1   50   18   13 f   6.2390   1.3350   4.6520   1.8900   7.8260   1.8850 -3.175000 2.670000 
1 1 1   50   18   14 o   3.5700   1.1870   3.2450   1.5570   3.8950   1.7920 -0.6494000 2.374000 
1 1 1   50   18   15 o   4.0360   1.2220   4.3890   1.7930   3.6840   1.6610 0.7047000 2.444000 
1 1 1   50   18   16 o   2.7850   0.9603   3.2640   1.5270   2.3070   1.1660 0.9562000 1.921000 
1 1 1   50   18   17 o   3.1130   1.0440   3.0510   1.4530   3.1740   1.4990 -0.1237000 2.087000 
1 1 1   50   18   18 o   2.3870   0.8545   2.3820   1.2060   2.3910   1.2100 -0.8670000E-02 1.709000 
1 1 1   50   20    0 o   5.3570   1.1900   5.6450   1.6230   5.0690   1.7410 0.5758000 2.380000 
1 1 1   50   20    1 o   6.7670   1.1100   6.2580   1.6150   7.2760   1.5240 -1.018000 2.221000 
1 1 1   50   20    2 f   8.4650   0.9453   8.3110   1.3320   8.6200   1.3420 -0.3093000 1.891000 
1 1 1   50   20    3 o   3.4050   1.0810   3.1320   1.4520   3.6780   1.6020 -0.5458000 2.162000 
1 1 1   50   20    4 o   8.0690   0.9886   7.9490   1.3850   8.1890   1.4110 -0.2400000 1.977000 
1 1 1   50   20    5 o   4.8930   1.2330   5.5870   1.7510   4.1990   1.7350 1.388000 2.465000 
1 1 1   50   20    6 f   3.3900   1.1340   3.1280   1.5110   3.6520   1.6910 -0.5244000 2.267000 
1 1 1   50   20    7 o   4.5150   1.3480   4.8690   1.9710   4.1610   1.8380 0.7080000 2.695000 
1 1 1   50   20    8 o   3.7450   1.1860   3.2740   1.5300   4.2150   1.8130 -0.9406000 2.372000 
1 1 1   50   20    9 o   8.0550   1.1960   9.9720   1.3470   6.1380   1.9770 3.834000 2.392000 
1 1 1   50   20   10 o   5.5530   1.3940   5.4760   1.9490   5.6290   1.9930 -0.1527000 2.788000 
1 1 1   50   20   11 o   3.6770   1.1660   3.6220   1.6270   3.7320   1.6710 -0.1103000 2.333000 
1 1 1   50   20   12 o   2.8400   0.9988   2.5540   1.2860   3.1260   1.5290 -0.5718000 1.998000 
1 1 1   50   20   13 o   3.9940   1.2900   4.5410   1.9830   3.4480   1.6510 1.093000 2.580000 
1 1 1   50   20   14 o   2.8580   0.9809   2.9990   1.4330   2.7170   1.3400 0.2821000 1.962000 
1 1 1   50   20   15 o   2.8000   0.9639   3.0430   1.4490   2.5560   1.2720 0.4866000 1.928000 
1 1 1   50   20   16 o   2.7820   0.9745   2.7040   1.3430   2.8590   1.4120 -0.1547000 1.949000 
1 1 1   50   22    0 o   7.3500   1.0900   7.3540   1.5480   7.3460   1.5360 0.7329000E-02 2.181000 
1 1 1   50   22    1 o   5.4810   1.2250   6.1570   1.7040   4.8040   1.7590 1.354000 2.450000 
1 1 1   50   22    2 o   4.4630   1.2490   4.7250   1.7850   4.2000   1.7480 0.5259000 2.498000 
1 1 1   50   22    3 o   4.1740   1.2870   4.0300   1.7150   4.3180   1.9180 -0.2882000 2.573000 
1 1 1   50   22    4 o   5.9540   2.1940  ?   ?    5.9540   2.1940      ?      ? 
1 1 1   50   22    5 o   4.1700   1.3040   4.0960   1.8830   4.2440   1.8030 -0.1481000 2.607000 
1 1 1   50   22    6 o   6.0190   1.3110   5.4240   1.8090   6.6140   1.8990 -1.190000 2.623000 
1 1 1   50   22    7 o   3.5350   1.1230   3.9860   1.7020   3.0840   1.4670 0.9017000 2.246000 
1 1 1   50   22    8 o   2.8050   0.9661   3.0460   1.4530   2.5640   1.2740 0.4816000 1.932000 
1 1 1   50   22    9 o   5.4270   1.2930   6.3650   1.8250   4.4890   1.8330 1.875000 2.586000 
1 1 1   50   22   10 o   4.1410   1.2200   4.9720   1.8460   3.3100   1.5940 1.662000 2.439000 
1 1 1   50   22   11 o   3.0070   1.0440   2.6110   1.3050   3.4030   1.6300 -0.7918000 2.088000 
1 1 1   50   22   12 o   2.5760   0.9063   2.2590   1.1400   2.8930   1.4090 -0.6339000 1.813000 
1 1 1   50   22   13 o   2.8580   0.9954   2.9010   1.4200   2.8160   1.3960 0.8461000E-01 1.991000 
1 1 1   50   22   14 o   2.2370   0.8191   2.1180   1.0910   2.3560   1.2220 -0.2377000 1.638000 
1 1 1   50   24    0 o   3.5930   1.1850   3.3420   1.5850   3.8440   1.7620 -0.5020000 2.370000 
1 1 1   50   24    1 o   5.0090   1.3940   5.5620   2.0230   4.4550   1.9170 1.106000 2.787000 
1 1 1   50   24    2 o   2.9260   1.0090   3.1170   1.5110   2.7350   1.3370 0.3820000 2.018000 
1 1 1   50   24    3 o   3.0550   1.0240   3.0510   1.4340   3.0590   1.4610 -0.8204000E-02 2.047000 
1 1 1   50   24    4 o   3.7010   1.1580   3.4500   1.5640   3.9520   1.7090 -0.5017000 2.317000 
1 1 1   50   24    5 o   4.8330   1.2600   5.5850   1.8290   4.0820   1.7350 1.503000 2.521000 
1 1 1   50   24    6 o   3.6200   1.1450   3.3130   1.5290   3.9270   1.7050 -0.6142000 2.290000 
1 1 1   50   24    7 o   2.3610   0.8365   2.3890   1.1920   2.3330   1.1730 0.5540000E-01 1.673000 
1 1 1   50   24    8 o   3.5360   1.1640   3.4230   1.5970   3.6490   1.6930 -0.2260000 2.327000 
1 1 1   50   24    9 f   2.3890   0.8624   2.3220   1.1850   2.4550   1.2530 -0.1328000 1.725000 
1 1 1   50   24   10 o   2.6440   0.9304   2.8700   1.4040   2.4170   1.2210 0.4530000 1.861000 
1 1 1   50   24   11 o   1.9700   0.7268   2.1160   1.0990   1.8250   0.9513 0.2909000 1.454000 
1 1 1   50   26    0 o   4.7380   1.2630   4.7710   1.7690   4.7050   1.8020 0.6542000E-01 2.525000 
1 1 1   50   26    1 o   2.8900   0.9774   2.3780   1.1820   3.4010   1.5570 -1.023000 1.955000 
1 1 1   50   26    2 o   4.6450   1.2500   4.2420   1.7000   5.0480   1.8320 -0.8060000 2.499000 
1 1 1   50   26    3 o   3.8310   1.2060   3.5570   1.6240   4.1050   1.7840 -0.5481000 2.412000 
1 1 1   50   26    4 o   2.5130   0.8880   2.5280   1.2580   2.4980   1.2530 0.3030000E-01 1.776000 
1 1 1   50   26    5 f   2.6370   0.9322   2.7070   1.3360   2.5680   1.3010 0.1387000 1.864000 
1 1 1   50   26    6 o   2.4010   0.8678   2.1330   1.0950   2.6690   1.3460 -0.5358000 1.736000 
1 1 1   51    1    0 o   8.3410   0.9126   7.7610   1.3120   8.9200   1.2690 -1.158000 1.825000 
1 1 1   51    1    1 o   20.050   0.4125   19.880   0.6200   20.220   0.5443 -0.3455000 0.8250000 
1 1 1   51    1    2 o   27.380   0.3769   26.980   0.5141   27.780   0.5511 -0.7969000 0.7537000 
1 1 1   51    1    3 o   20.010   0.4009   20.390   0.6029   19.630   0.5286 0.7695000 0.8018000 
1 1 1   51    1    4 o   6.2390   1.0470   6.7850   1.4250   5.6930   1.5350 1.092000 2.095000 
1 1 1   51    1    5 o   6.2390   1.0440   6.9030   1.3730   5.5740   1.5740 1.329000 2.088000 
1 1 1   51    1    6 o   3.3220   1.0120   2.6840   1.2760   3.9600   1.5700 -1.276000 2.023000 
1 1 1   51    1    7 o   8.8650   0.7770   9.2770   1.0340   8.4530   1.1600 0.8239000 1.554000 
1 1 1   51    1    8 f   10.250   0.6748   9.6650   0.9978   10.840   0.9088 -1.173000 1.350000 
1 1 1   51    1    9 o   9.3960   0.7755   8.6100   1.2040   10.180   0.9776 -1.573000 1.551000 
1 1 1   51    1   10 o   6.1000   1.2050   6.5800   1.6500   5.6190   1.7560 0.9610000 2.409000 
1 1 1   51    1   11 o   5.9870   1.3020   5.3620   1.8670   6.6130   1.8150 -1.252000 2.604000 
1 1 1   51    1   12 o   14.110   0.6124   14.400   0.8568   13.830   0.8752 0.5711000 1.225000 
1 1 1   51    1   13 o   5.7600   1.2220   5.6600   1.7310   5.8600   1.7260 -0.2006000 2.444000 
1 1 1   51    1   14 o   6.4310   1.1770   6.2070   1.7020   6.6560   1.6260 -0.4496000 2.354000 
1 1 1   51    1   15 o   4.6570   1.2450   3.4220   1.6220   5.8910   1.8890 -2.470000 2.490000 
1 1 1   51    1   16 o   6.2090   1.6330   6.0610   2.3020   6.3580   2.3170 -0.2969000 3.266000 
1 1 1   51    1   17 f   3.7320   1.1480   4.3720   1.7660   3.0920   1.4660 1.280000 2.295000 
1 1 1   51    1   18 o   8.2110   1.1470   8.7700   1.5220   7.6520   1.7180 1.119000 2.295000 
1 1 1   51    1   19 o   3.3570   1.1040   2.9010   1.4100   3.8130   1.6980 -0.9122000 2.207000 
1 1 1   51    1   20 o   3.8460   1.2050   3.8120   1.7020   3.8800   1.7070 -0.6810000E-01 2.411000 
1 1 1   51    1   21 o   4.2260   1.2650   3.9110   1.7190   4.5410   1.8580 -0.6301000 2.531000 
1 1 1   51    1   22 o   3.7150   1.1650   3.1030   1.4820   4.3280   1.7990 -1.225000 2.331000 
1 1 1   51    1   23 o   3.0330   1.0280   2.5100   1.2570   3.5560   1.6260 -1.046000 2.055000 
1 1 1   51    1   24 o   2.4390   0.8806   2.3730   1.2140   2.5060   1.2760 -0.1332000 1.761000 
1 1 1   51    1   25 o   2.1810   0.7866   2.1580   1.1050   2.2050   1.1190 -0.4689000E-01 1.573000 
1 1 1   51    3    0 o   7.7050   0.8062   6.2280   1.3490   9.1820   0.8832 -2.954000 1.612000 
1 1 1   51    3    1 o   3.6240   1.0420   3.5610   1.4720   3.6880   1.4740 -0.1271000 2.083000 
1 1 1   51    3    2 o   5.1510   1.1080   5.2410   1.6000   5.0620   1.5330 0.1792000 2.216000 
1 1 1   51    3    3 o   10.110   0.8690   9.6440   1.2360   10.580   1.2220 -0.9353000 1.738000 
1 1 1   51    3    4 o   10.290   0.8749   9.3040   1.2840   11.280   1.1890 -1.975000 1.750000 
1 1 1   51    3    5 o   5.6300   1.1130   6.1420   1.5490   5.1190   1.5980 1.024000 2.226000 
1 1 1   51    3    6 o   14.670   0.4703   14.820   0.6633   14.520   0.6669 0.3026000 0.9406000 
1 1 1   51    3    7 o   2.6870   0.8939   3.3140   1.4590   2.0590   1.0330 1.255000 1.788000 
1 1 1   51    3    8 o   4.8190   1.1700   4.7520   1.6670   4.8860   1.6440 -0.1342000 2.341000 
1 1 1   51    3    9 o   9.8440   0.7751   10.200   1.0530   9.4910   1.1380 0.7062000 1.550000 
1 1 1   51    3   10 o   3.5630   1.0610   4.6390   1.7340   2.4860   1.2220 2.153000 2.121000 
1 1 1   51    3   11 o   3.1080   1.0080   3.1420   1.4370   3.0750   1.4140 0.6722000E-01 2.016000 
1 1 1   51    3   12 o   12.690   0.6843   11.560   1.0590   13.820   0.8675 -2.252000 1.369000 
1 1 1   51    3   13 o   8.4520   0.9466   7.6860   1.4590   9.2180   1.2070 -1.532000 1.893000 
1 1 1   51    3   14 o   5.1800   1.2560   5.3830   1.7840   4.9770   1.7700 0.4064000 2.513000 
1 1 1   51    3   15 o   4.3800   1.2820   3.9910   1.7800   4.7690   1.8450 -0.7779000 2.564000 
1 1 1   51    3   16 o   5.2760   1.3570   4.2510   1.7520   6.3020   2.0720 -2.052000 2.713000 
1 1 1   51    3   17 o   3.7850   1.2120   2.9760   1.4420   4.5940   1.9470 -1.617000 2.423000 
1 1 1   51    3   18 o   5.8090   1.3260   6.1150   1.8470   5.5030   1.9030 0.6125000 2.652000 
1 1 1   51    3   19 o   3.9800   1.2250   3.8100   1.6910   4.1500   1.7730 -0.3402000 2.450000 
1 1 1   51    3   20 o   2.9760   1.0170   2.8020   1.3730   3.1500   1.5000 -0.3483000 2.033000 
1 1 1   51    3   21 o   5.3530   1.3140   4.2880   1.7940   6.4180   1.9200 -2.130000 2.628000 
1 1 1   51    3   22 o   4.3700   1.2850   4.2570   1.7980   4.4830   1.8350 -0.2255000 2.569000 
1 1 1   51    3   23 o   2.7770   0.9784   3.0230   1.4830   2.5310   1.2760 0.4915000 1.957000 
1 1 1   51    3   24 o   3.0180   1.0460   3.6040   1.6890   2.4320   1.2330 1.172000 2.091000 
1 1 1   51    3   25 o   2.1800   0.8000   2.2220   1.1520   2.1380   1.1100 0.8368000E-01 1.600000 
1 1 1   51    5    0 o   3.7950   1.0100   4.2030   1.5240   3.3870   1.3250 0.8159000 2.019000 
1 1 1   51    5    1 o   17.490   0.3487   17.170   0.4965   17.820   0.4896 -0.6521000 0.6973000 
1 1 1   51    5    2 o   5.3110   1.0540   5.2340   1.4940   5.3890   1.4870 -0.1546000 2.109000 
1 1 1   51    5    3 o   10.710   0.5931   10.040   0.9087   11.380   0.7624 -1.339000 1.186000 
1 1 1   51    5    4 o   7.5840   1.1290   5.9450   1.7460   9.2230   1.4300 -3.278000 2.257000 
1 1 1   51    5    5 f   3.9810   1.0850   3.5570   1.4880   4.4060   1.5800 -0.8487000 2.171000 
1 1 1   51    5    6 o   3.3470   1.0290   3.3870   1.4640   3.3070   1.4450 0.7963000E-01 2.057000 
1 1 1   51    5    7 o   5.8630   1.0950   6.5660   1.4900   5.1600   1.6050 1.406000 2.190000 
1 1 1   51    5    8 o   13.510   0.5600   13.610   0.8061   13.410   0.7776 0.2024000 1.120000 
1 1 1   51    5    9 o   3.4310   1.0620   3.3880   1.4950   3.4740   1.5090 -0.8633000E-01 2.124000 
1 1 1   51    5   10 o   7.5770   0.9961   9.1200   1.1450   6.0340   1.6300 3.086000 1.992000 
1 1 1   51    5   11 o   7.3790   1.0250   7.8770   1.3780   6.8820   1.5190 0.9947000 2.051000 
1 1 1   51    5   12 o   9.6310   0.9243   10.800   1.1820   8.4640   1.4210 2.334000 1.849000 
1 1 1   51    5   13 o   5.2500   1.2290   4.3990   1.7300   6.1010   1.7470 -1.702000 2.458000 
1 1 1   51    5   14 o   6.0210   1.3620   6.1060   1.9580   5.9360   1.8950 0.1691000 2.725000 
1 1 1   51    5   15 o   5.2940   1.2850   5.3530   1.8060   5.2350   1.8300 0.1178000 2.570000 
1 1 1   51    5   16 o   3.0120   1.0050   2.2990   1.1540   3.7250   1.6440 -1.426000 2.009000 
1 1 1   51    5   17 o   5.2340   1.3090   6.6340   1.9300   3.8340   1.7680 2.800000 2.617000 
1 1 1   51    5   18 o   5.2680   1.2860   6.2840   1.8460   4.2510   1.7920 2.034000 2.573000 
1 1 1   51    5   19 o   3.7680   1.1860   3.3320   1.5650   4.2050   1.7830 -0.8726000 2.372000 
1 1 1   51    5   20 o   4.4390   1.2360   5.4880   1.9090   3.3900   1.5710 2.098000 2.472000 
1 1 1   51    5   21 o   4.1260   1.2230   3.3240   1.5540   4.9280   1.8880 -1.604000 2.446000 
1 1 1   51    5   22 o   4.1690   1.2750   3.4070   1.6110   4.9300   1.9770 -1.522000 2.550000 
1 1 1   51    5   23 f   4.0400   1.2270   2.9240   1.4290   5.1560   1.9960 -2.232000 2.455000 
1 1 1   51    5   24 o   2.3440   0.8450   2.1180   1.0870   2.5710   1.2940 -0.4533000 1.690000 
1 1 1   51    7    0 o   12.470   0.4940   11.410   0.7692   13.530   0.6202 -2.120000 0.9881000 
1 1 1   51    7    1 o   20.910   0.3110   20.860   0.4342   20.960   0.4454 -0.9472000E-01 0.6221000 
1 1 1   51    7    2 o   15.190   0.3919   15.120   0.5497   15.260   0.5587 -0.1391000 0.7838000 
1 1 1   51    7    3 f   6.4000   0.9332   6.0740   1.3570   6.7260   1.2820 -0.6519000 1.866000 
1 1 1   51    7    4 o   7.8170   1.1010   7.2780   1.5450   8.3560   1.5680 -1.078000 2.202000 
1 1 1   51    7    5 o   9.7940   0.7168   9.8140   1.0100   9.7740   1.0170 0.4017000E-01 1.434000 
1 1 1   51    7    6 f   12.810   0.5670   12.470   0.8135   13.150   0.7900 -0.6894000 1.134000 
1 1 1   51    7    7 o   2.9420   0.9669   2.5060   1.2130   3.3790   1.5060 -0.8727000 1.934000 
1 1 1   51    7    8 o   15.540   0.4681   15.170   0.6739   15.920   0.6498 -0.7553000 0.9362000 
1 1 1   51    7    9 o   9.0650   0.8384   10.650   0.9667   7.4840   1.3700 3.162000 1.677000 
1 1 1   51    7   10 o   15.460   0.4888   16.220   0.6813   14.700   0.7011 1.524000 0.9776000 
1 1 1   51    7   11 o   11.150   0.6893   10.130   1.0700   12.160   0.8695 -2.032000 1.379000 
1 1 1   51    7   12 o   3.9930   1.3110   4.7970   2.1350   3.1900   1.5220 1.607000 2.621000 
1 1 1   51    7   13 o   4.9320   1.4420   5.2870   2.2560   4.5780   1.7970 0.7093000 2.884000 
1 1 1   51    7   14 o   5.8460   1.2690   5.6490   1.8310   6.0420   1.7580 -0.3928000 2.539000 
1 1 1   51    7   15 o   8.7110   0.9984   9.0480   1.4200   8.3740   1.4040 0.6740000 1.997000 
1 1 1   51    7   16 o   2.8620   0.9862   3.0590   1.4720   2.6650   1.3120 0.3934000 1.972000 
1 1 1   51    7   17 o   3.8330   1.2330   4.6090   1.9560   3.0560   1.5030 1.554000 2.466000 
1 1 1   51    7   18 o   3.9130   1.2090   4.5550   1.8670   3.2700   1.5380 1.285000 2.419000 
1 1 1   51    7   19 o   7.3580   1.3060   8.1300   1.8050   6.5850   1.8880 1.545000 2.612000 
1 1 1   51    7   20 o   3.6030   1.1610   4.3890   1.8690   2.8170   1.3800 1.572000 2.323000 
1 1 1   51    7   21 o   3.4400   1.1460   4.0220   1.8090   2.8580   1.4070 1.165000 2.292000 
1 1 1   51    7   22 o   3.9470   1.2540   3.6300   1.6920   4.2640   1.8520 -0.6340000 2.509000 
1 1 1   51    7   23 o   2.4750   0.8790   2.4390   1.2340   2.5120   1.2520 -0.7278000E-01 1.758000 
1 1 1   51    7   24 o   1.9890   0.7267   2.0760   1.0720   1.9010   0.9815 0.1748000 1.453000 
1 1 1   51    9    0 o   22.370   0.3730   22.450   0.5363   22.290   0.5185 0.1606000 0.7460000 
1 1 1   51    9    1 o   9.7670   0.6010   9.0270   0.9297   10.510   0.7621 -1.480000 1.202000 
1 1 1   51    9    2 o   15.520   0.4420   15.350   0.6410   15.690   0.6089 -0.3374000 0.8841000 
1 1 1   51    9    3 o   26.400   0.3580   25.490   0.5258   27.320   0.4858 -1.835000 0.7159000 
1 1 1   51    9    4 o   15.410   0.6905   16.210   0.9056   14.600   1.0430 1.610000 1.381000 
1 1 1   51    9    5 o   11.080   0.6475   11.770   0.9206   10.390   0.9108 1.376000 1.295000 
1 1 1   51    9    6 f   17.930   0.4465   18.150   0.6774   17.710   0.5819 0.4389000 0.8930000 
1 1 1   51    9    7 o   3.2890   1.0380   4.0430   1.6750   2.5360   1.2270 1.507000 2.076000 
1 1 1   51    9    8 o   8.2290   0.9764   7.2700   1.6160   9.1870   1.0970 -1.916000 1.953000 
1 1 1   51    9    9 o   14.210   0.7303  ?   ?    14.210   0.7303      ?      ? 
1 1 1   51    9   10 o   11.550   0.7608   11.200   1.1690   11.890   0.9746 -0.6891000 1.522000 
1 1 1   51    9   11 o   6.0410   1.3350   6.3990   1.9270   5.6830   1.8470 0.7161000 2.669000 
1 1 1   51    9   12 o   15.060   0.8777   13.980   1.5300   16.140   0.8605 -2.155000 1.755000 
1 1 1   51    9   13 o   4.9040   1.2430   3.7730   1.7270   6.0340   1.7890 -2.261000 2.486000 
1 1 1   51    9   14 o   8.1700   1.2000   8.1300   1.8480   8.2100   1.5330 -0.8001000E-01 2.400000 
1 1 1   51    9   15 o   4.2630   1.2880   4.5360   1.9300   3.9900   1.7040 0.5462000 2.575000 
1 1 1   51    9   16 o   3.6750   1.1600   3.0550   1.5000   4.2940   1.7700 -1.238000 2.320000 
1 1 1   51    9   17 o   4.4330   1.3420   3.3250   1.6560   5.5410   2.1110 -2.216000 2.683000 
1 1 1   51    9   18 o   5.5650   1.4120   5.3700   2.0800   5.7590   1.9100 -0.3886000 2.824000 
1 1 1   51    9   19 o   4.3520   1.3260   4.3630   1.9370   4.3410   1.8100 0.2243000E-01 2.651000 
1 1 1   51    9   20 o   3.4200   1.1650   3.6980   1.7600   3.1420   1.5260 0.5563000 2.329000 
1 1 1   51    9   21 o   3.2580   1.1190   3.1920   1.5770   3.3250   1.5880 -0.1329000 2.238000 
1 1 1   51    9   22 o   2.7740   0.9770   2.8160   1.4190   2.7330   1.3440 0.8346000E-01 1.954000 
1 1 1   51    9   23 o   2.6270   0.9280   2.4740   1.2620   2.7800   1.3610 -0.3069000 1.856000 
1 1 1   51   11    0 o   16.470   0.3854   16.700   0.5557   16.230   0.5341 0.4758000 0.7708000 
1 1 1   51   11    1 o   15.060   0.4292   14.930   0.6413   15.200   0.5706 -0.2746000 0.8584000 
1 1 1   51   11    2 o   26.460   0.3417   26.950   0.5152   25.980   0.4490 0.9750000 0.6834000 
1 1 1   51   11    3 o   15.870   0.7955  ?   ?    15.870   0.7955      ?      ? 
1 1 1   51   11    4 o   18.660   0.4651   18.310   0.6021   19.010   0.7091 -0.6933000 0.9302000 
1 1 1   51   11    5 o   15.660   0.4336   15.580   0.5900   15.740   0.6355 -0.1594000 0.8672000 
1 1 1   51   11    6 o   11.660   0.6057   11.710   0.8524   11.610   0.8606 0.9599000E-01 1.211000 
1 1 1   51   11    7 o   9.8650   0.7140   9.1090   1.0540   10.620   0.9634 -1.512000 1.428000 
1 1 1   51   11    8 o   2.6790   0.9187   2.4660   1.2140   2.8930   1.3790 -0.4265000 1.837000 
1 1 1   51   11    9 o   9.1250   0.8891   8.7270   1.3030   9.5230   1.2110 -0.7965000 1.778000 
1 1 1   51   11   10 o   4.8170   1.1820   5.5070   1.6940   4.1270   1.6480 1.380000 2.363000 
1 1 1   51   11   11 o   8.7270   0.9238   8.6540   1.3170   8.8000   1.2960 -0.1460000 1.848000 
1 1 1   51   11   12 o   4.4740   1.2700   5.5930   2.0010   3.3550   1.5650 2.237000 2.540000 
1 1 1   51   11   13 o   10.450   0.8117   11.100   1.0430   9.7960   1.2440 1.304000 1.623000 
1 1 1   51   11   14 o   8.5550   1.0280   9.0950   1.3120   8.0150   1.5830 1.080000 2.056000 
1 1 1   51   11   15 o   5.0590   1.2660   5.8900   1.8160   4.2280   1.7640 1.662000 2.532000 
1 1 1   51   11   16 o   4.6050   1.3650   4.4570   1.8600   4.7530   1.9970 -0.2959000 2.729000 
1 1 1   51   11   17 o   5.4050   1.3940   6.3510   2.0080   4.4600   1.9340 1.891000 2.788000 
1 1 1   51   11   18 o   2.9950   1.0160   3.2740   1.5300   2.7150   1.3380 0.5592000 2.032000 
1 1 1   51   11   19 o   3.1590   1.0750   3.3210   1.5760   2.9970   1.4640 0.3239000 2.151000 
1 1 1   51   11   20 o   4.4580   1.2930   4.7580   1.8790   4.1580   1.7750 0.6003000 2.585000 
1 1 1   51   11   21 o   3.6380   1.1350   4.7820   1.8880   2.4930   1.2600 2.289000 2.270000 
1 1 1   51   11   22 o   2.0790   0.7499   1.9630   1.0060   2.1950   1.1120 -0.2324000 1.500000 
1 1 1   51   13    0 o   9.3430   0.6310   8.9770   0.9184   9.7080   0.8656 -0.7309000 1.262000 
1 1 1   51   13    1 o   6.7100   0.9014   6.4700   1.2810   6.9490   1.2680 -0.4789000 1.803000 
1 1 1   51   13    2 o   6.0350   1.1510   5.1920   1.5980   6.8770   1.6580 -1.685000 2.302000 
1 1 1   51   13    3 o   9.2880   0.9260   11.480   0.8287   7.0900   1.6560 4.395000 1.852000 
1 1 1   51   13    4 o   10.910   0.6310   10.430   0.8735   11.390   0.9109 -0.9633000 1.262000 
1 1 1   51   13    5 o   4.9460   1.1750   4.5040   1.6090   5.3890   1.7140 -0.8849000 2.351000 
1 1 1   51   13    6 o   22.750   0.3794   22.610   0.5153   22.890   0.5568 -0.2736000 0.7587000 
1 1 1   51   13    7 o   5.7590   1.1190   6.3770   1.4450   5.1410   1.7090 1.236000 2.238000 
1 1 1   51   13    8 o   9.7010   0.7703   10.450   0.9278   8.9520   1.2300 1.499000 1.541000 
1 1 1   51   13    9 o   7.2260   1.0560   6.6320   1.5250   7.8200   1.4630 -1.188000 2.113000 
1 1 1   51   13   10 o   6.0950   1.1950   5.3070   1.7360   6.8830   1.6430 -1.576000 2.390000 
1 1 1   51   13   11 o   9.5400   1.0660   8.9650   1.6430   10.120   1.3580 -1.150000 2.132000 
1 1 1   51   13   12 o   4.9940   1.1470   6.6840   1.7150   3.3040   1.5220 3.380000 2.293000 
1 1 1   51   13   13 o   4.5480   1.2640   4.4650   1.7720   4.6320   1.8040 -0.1673000 2.529000 
1 1 1   51   13   14 o   4.8750   1.2790   5.3770   1.8340   4.3730   1.7830 1.004000 2.558000 
1 1 1   51   13   15 o   6.4430   1.2630   7.3390   1.6750   5.5480   1.8900 1.791000 2.526000 
1 1 1   51   13   16 o   3.8750   1.2410   3.9390   1.7530   3.8120   1.7560 0.1263000 2.481000 
1 1 1   51   13   17 o   3.5490   1.1550   3.0380   1.4690   4.0600   1.7820 -1.022000 2.309000 
1 1 1   51   13   18 o   3.6630   1.1840   3.8850   1.7330   3.4410   1.6130 0.4434000 2.368000 
1 1 1   51   13   19 o   2.5980   0.9107   2.7890   1.3640   2.4070   1.2080 0.3822000 1.821000 
1 1 1   51   13   20 o   2.7520   0.9549   2.8960   1.4060   2.6080   1.2920 0.2887000 1.910000 
1 1 1   51   13   21 o   2.6900   0.9368   2.9330   1.4190   2.4470   1.2240 0.4853000 1.874000 
1 1 1   51   15    0 o   15.050   0.5494   15.290   0.6933   14.800   0.8525 0.4897000 1.099000 
1 1 1   51   15    1 o   9.2210   0.8737   8.3890   1.2470   10.050   1.2240 -1.663000 1.747000 
1 1 1   51   15    2 o   19.000   0.4060   19.390   0.5457   18.610   0.6013 0.7745000 0.8120000 
1 1 1   51   15    3 o   20.320   0.3759   19.940   0.5147   20.700   0.5480 -0.7527000 0.7518000 
1 1 1   51   15    4 o   15.070   0.4735   15.330   0.6263   14.820   0.7104 0.5108000 0.9471000 
1 1 1   51   15    5 o   5.4860   1.1660   4.6620   1.6410   6.3090   1.6560 -1.647000 2.331000 
1 1 1   51   15    6 o   15.040   0.5070   15.180   0.6751   14.900   0.7566 0.2739000 1.014000 
1 1 1   51   15    7 o   7.6670   1.0060   7.3480   1.4070   7.9860   1.4400 -0.6382000 2.013000 
1 1 1   51   15    8 o   3.9360   1.1530   4.1500   1.6460   3.7210   1.6150 0.4292000 2.306000 
1 1 1   51   15    9 o   4.6280   1.2220   3.8080   1.6380   5.4490   1.8140 -1.641000 2.444000 
1 1 1   51   15   10 o   3.4900   1.1450   2.8290   1.4010   4.1510   1.8120 -1.323000 2.291000 
1 1 1   51   15   11 o   3.3570   1.1130   3.2680   1.5710   3.4460   1.5780 -0.1783000 2.227000 
1 1 1   51   15   12 o   8.1370   1.1130   7.1200   1.7210   9.1550   1.4130 -2.035000 2.226000 
1 1 1   51   15   13 o   3.1260   1.0480   2.7680   1.3490   3.4830   1.6050 -0.7149000 2.096000 
1 1 1   51   15   14 o   10.430   0.9074   9.7660   1.3350   11.090   1.2290 -1.322000 1.815000 
1 1 1   51   15   15 o   8.1370   1.5050   8.8340   1.9380   7.4390   2.3030 1.394000 3.010000 
1 1 1   51   15   16 o   4.5780   1.3460   4.4870   1.8740   4.6690   1.9330 -0.1818000 2.692000 
1 1 1   51   15   17 o   3.8930   1.2030   3.4270   1.5840   4.3590   1.8110 -0.9317000 2.406000 
1 1 1   51   15   18 o   3.8530   1.2200   4.5370   1.9210   3.1680   1.5040 1.369000 2.440000 
1 1 1   51   15   19 o   2.4880   0.8787   1.9900   1.0180   2.9860   1.4330 -0.9962000 1.757000 
1 1 1   51   15   20 f   2.4860   0.8765   2.3020   1.1600   2.6710   1.3140 -0.3689000 1.753000 
1 1 1   51   17    0 o   5.2000   0.9990   6.8680   1.3300   3.5320   1.4910 3.336000 1.998000 
1 1 1   51   17    1 o   11.100   0.6105   12.000   0.7885   10.200   0.9322 1.798000 1.221000 
1 1 1   51   17    2 o   11.190   0.6221   11.300   0.8437   11.080   0.9145 0.2150000 1.244000 
1 1 1   51   17    3 o   17.100   0.4391   16.790   0.6080   17.410   0.6335 -0.6215000 0.8781000 
1 1 1   51   17    4 o   7.8210   0.9485   6.6530   1.4430   8.9890   1.2320 -2.336000 1.897000 
1 1 1   51   17    5 o   6.1110   1.1320   6.9910   1.4110   5.2320   1.7700 1.758000 2.264000 
1 1 1   51   17    6 o   3.5170   1.0940   3.6830   1.5690   3.3510   1.5240 0.3325000 2.188000 
1 1 1   51   17    7 o   3.7060   1.1290   3.4430   1.5280   3.9690   1.6620 -0.5261000 2.257000 
1 1 1   51   17    8 o   5.7230   1.1060   3.6840   1.5920   7.7610   1.5370 -4.077000 2.213000 
1 1 1   51   17    9 o   5.1950   1.4150   4.9950   1.9750   5.3960   2.0270 -0.4012000 2.830000 
1 1 1   51   17   10 o   3.5160   1.1220   3.7800   1.6380   3.2520   1.5330 0.5278000 2.243000 
1 1 1   51   17   11 o   3.6040   1.1460   3.6510   1.6140   3.5570   1.6280 0.9364000E-01 2.292000 
1 1 1   51   17   12 o   6.5580   1.3090   6.6240   1.7800   6.4920   1.9210 0.1318000 2.619000 
1 1 1   51   17   13 o   5.8990   1.3980   5.1780   1.9270   6.6210   2.0250 -1.443000 2.795000 
1 1 1   51   17   14 o   6.7220   1.5280   7.7580   2.1070   5.6860   2.2140 2.073000 3.056000 
1 1 1   51   17   15 o   3.7260   1.1760   3.9220   1.7110   3.5300   1.6150 0.3920000 2.352000 
1 1 1   51   17   16 o   3.6880   1.1570   4.3000   1.7860   3.0760   1.4730 1.224000 2.315000 
1 1 1   51   17   17 o   2.9060   0.9935   3.2460   1.5250   2.5660   1.2740 0.6804000 1.987000 
1 1 1   51   17   18 o   2.3360   0.8317   2.4390   1.2200   2.2330   1.1310 0.2052000 1.663000 
1 1 1   51   17   19 o   2.0170   0.7426   2.0930   1.0880   1.9410   1.0110 0.1520000 1.485000 
1 1 1   51   19    0 o   3.2980   1.0350   3.5310   1.5080   3.0660   1.4170 0.4646000 2.070000 
1 1 1   51   19    1 o   3.7830   1.1470   3.5930   1.5260   3.9720   1.7140 -0.3784000 2.294000 
1 1 1   51   19    2 o   9.5550   0.7786   9.7700   1.0330   9.3400   1.1660 0.4295000 1.557000 
1 1 1   51   19    3 o   6.2670   1.1100   7.8410   1.3560   4.6930   1.7590 3.148000 2.221000 
1 1 1   51   19    4 f   7.3810   1.0730   6.9160   1.5660   7.8460   1.4680 -0.9308000 2.147000 
1 1 1   51   19    5 o   4.6560   1.2260   4.3700   1.7010   4.9420   1.7660 -0.5724000 2.452000 
1 1 1   51   19    6 o   3.6680   1.1250   3.0690   1.4280   4.2670   1.7390 -1.198000 2.250000 
1 1 1   51   19    7 o   3.4170   1.1380   3.8610   1.7470   2.9730   1.4580 0.8876000 2.275000 
1 1 1   51   19    8 o   3.5290   1.1730   3.4530   1.6330   3.6060   1.6850 -0.1530000 2.347000 
1 1 1   51   19    9 o   4.0040   1.1640   4.8280   1.7780   3.1790   1.5030 1.649000 2.328000 
1 1 1   51   19   10 o   3.6080   1.1650   3.2930   1.5500   3.9220   1.7400 -0.6294000 2.330000 
1 1 1   51   19   11 o   3.6530   1.1820   3.3080   1.5650   3.9970   1.7720 -0.6885000 2.364000 
1 1 1   51   19   12 o   3.4030   1.1180   3.0450   1.4770   3.7620   1.6780 -0.7172000 2.235000 
1 1 1   51   19   13 f   3.4030   1.1450   3.5870   1.6690   3.2180   1.5670 0.3688000 2.289000 
1 1 1   51   19   14 o   4.8640   1.3100   4.1540   1.7610   5.5740   1.9400 -1.420000 2.620000 
1 1 1   51   19   15 o   3.8230   1.1750   4.3350   1.7640   3.3100   1.5530 1.025000 2.350000 
1 1 1   51   19   16 o   2.4870   0.8774   2.3570   1.1820   2.6160   1.2970 -0.2598000 1.755000 
1 1 1   51   19   17 o   2.2010   0.8047   2.2750   1.1690   2.1280   1.1060 0.1473000 1.609000 
1 1 1   51   21    0 o   3.6230   1.1020   4.0580   1.6470   3.1890   1.4650 0.8688000 2.204000 
1 1 1   51   21    1 o   11.420   0.6971   10.960   1.0140   11.880   0.9572 -0.9160000 1.394000 
1 1 1   51   21    2 o   5.0640   1.2430   5.3770   1.7450   4.7510   1.7720 0.6260000 2.487000 
1 1 1   51   21    3 o   9.8780   0.8035  10.0000   1.0920   9.7530   1.1790 0.2502000 1.607000 
1 1 1   51   21    4 o   3.5430   1.1080   3.5580   1.5670   3.5270   1.5670 0.3110000E-01 2.216000 
1 1 1   51   21    5 o   3.2430   1.1210   3.2440   1.5890   3.2430   1.5820 0.1071000E-02 2.243000 
1 1 1   51   21    6 o   3.2120   1.1160   3.0030   1.4930   3.4200   1.6580 -0.4171000 2.232000 
1 1 1   51   21    7 o   3.2290   1.0820   3.2200   1.5160   3.2380   1.5440 -0.1768000E-01 2.164000 
1 1 1   51   21    8 f   3.8410   1.2000   3.3070   1.5250   4.3750   1.8540 -1.068000 2.400000 
1 1 1   51   21    9 o   3.3100   1.0880   3.7190   1.6570   2.9000   1.4090 0.8192000 2.175000 
1 1 1   51   21   10 o   3.7130   1.1490   4.5020   1.8080   2.9230   1.4190 1.579000 2.298000 
1 1 1   51   21   11 o   4.1410   1.2480   5.2680   2.0080   3.0150   1.4840 2.253000 2.497000 
1 1 1   51   21   12 o   3.0870   1.0650   2.9470   1.4410   3.2270   1.5680 -0.2793000 2.130000 
1 1 1   51   21   13 o   3.1170   1.0470   2.8320   1.3740   3.4030   1.5800 -0.5714000 2.094000 
1 1 1   51   21   14 o   2.5130   0.8970   2.3290   1.1890   2.6980   1.3440 -0.3695000 1.794000 
1 1 1   51   23    0 o   4.0950   1.2110   3.6950   1.6310   4.4950   1.7920 -0.8003000 2.422000 
1 1 1   51   23    1 o   3.7790   1.1770   3.5290   1.5870   4.0290   1.7390 -0.4996000 2.354000 
1 1 1   51   23    2 o   4.3780   1.3540   3.9990   1.7920   4.7580   2.0310 -0.7590000 2.709000 
1 1 1   51   23    3 o   4.0640   1.2660   3.2710   1.5720   4.8560   1.9840 -1.585000 2.531000 
1 1 1   51   23    4 o   5.1980   1.3680   5.4910   2.0280   4.9050   1.8360 0.5862000 2.736000 
1 1 1   51   23    5 o   5.8880   1.2560   6.8120   1.7190   4.9640   1.8310 1.848000 2.512000 
1 1 1   51   23    6 o   2.4680   0.8683   2.4610   1.2210   2.4750   1.2350 -0.1357000E-01 1.737000 
1 1 1   51   23    7 o   2.8770   0.9824   3.0180   1.4340   2.7360   1.3430 0.2820000 1.965000 
1 1 1   51   23    8 o   3.1100   1.0380   2.6930   1.3180   3.5270   1.6040 -0.8345000 2.076000 
1 1 1   51   23    9 o   2.9080   0.9980   3.0690   1.4520   2.7470   1.3690 0.3220000 1.996000 
1 1 1   51   23   10 o   3.1440   1.0760   3.1680   1.5240   3.1190   1.5180 0.4953000E-01 2.151000 
1 1 1   51   23   11 o   2.8210   0.9834   3.2650   1.5550   2.3780   1.2040 0.8871000 1.967000 
1 1 1   51   23   12 o   1.9120   0.7041   1.9500   1.0150   1.8740   0.9765 0.7619000E-01 1.408000 
1 1 1   51   25    0 o   3.0060   1.0220   2.6700   1.3390   3.3430   1.5440 -0.6730000 2.044000 
1 1 1   51   25    1 o   3.1870   1.0300   3.8660   1.6420   2.5080   1.2450 1.358000 2.061000 
1 1 1   51   25    2 o   2.8830   0.9768   3.0800   1.4430   2.6860   1.3170 0.3947000 1.954000 
1 1 1   51   25    3 o   5.3490   1.2310   6.4530   1.7340   4.2460   1.7480 2.207000 2.462000 
1 1 1   51   25    4 o   3.2890   1.0760   3.2680   1.5070   3.3090   1.5370 -0.4163000E-01 2.152000 
1 1 1   51   25    5 f   3.6520   1.1430   3.6330   1.6040   3.6710   1.6290 -0.3789000E-01 2.286000 
1 1 1   51   25    6 o   2.0920   0.7558   2.1100   1.0770   2.0730   1.0610 0.3693000E-01 1.512000 
1 1 1   51   25    7 o   2.3610   0.8526   2.4640   1.2500   2.2580   1.1600 0.2064000 1.705000 
1 1 1   51   25    8 f   1.7670   0.6512   1.7530   0.9132   1.7810   0.9285 -0.2789000E-01 1.302000 
1 1 1   51   27    0 o   2.5960   0.9048   2.8190   1.3640   2.3730   1.1900 0.4462000 1.810000 
1 1 1   51   27    1 o   2.0110   1.0420   2.0110   1.0420  ?   ?       ?      ? 
1 1 1   52    0    0 o   31.090   0.4071   31.090   0.4071   31.090   0.4071 -0.000000 0.000000 
1 1 1   52    0    1 o   27.450   0.6596   27.450   0.6596   27.450   0.6596 -0.000000 0.000000 
1 1 1   52    0    2 o   5.9870   1.9480   5.9870   1.9480   5.9870   1.9480 0.000000 0.000000 
1 1 1   52    0    3 o   7.7110   1.2490   7.7110   1.2490   7.7110   1.2490 0.000000 0.000000 
1 1 1   52    0    4 o   7.5440   1.3130   7.5440   1.3130   7.5440   1.3130 0.000000 0.000000 
1 1 1   52    0    5 o   14.720   0.6576   14.720   0.6576   14.720   0.6576 0.000000 0.000000 
1 1 1   52    0    6 o   1.7910   1.2680   1.7910   1.2680   1.7910   1.2680 -0.000000 0.000000 
1 1 1   52    0    7 o   3.1210   1.8270   3.1210   1.8270   3.1210   1.8270 -0.000000 0.000000 
1 1 1   52    0    8 o   3.8390   1.9670   3.8390   1.9670   3.8390   1.9670 -0.000000 0.000000 
1 1 1   52    0    9 o   14.190   0.7232   14.190   0.7232   14.190   0.7232 -0.000000 0.000000 
1 1 1   52    0   10 o   9.1390   1.1900   9.1390   1.1900   9.1390   1.1900 -0.000000 0.000000 
1 1 1   52    0   11 o   13.580   0.9629   13.580   0.9629   13.580   0.9629 0.000000 0.000000 
1 1 1   52    0   12 o   3.1350   1.8750   3.1350   1.8750   3.1350   1.8750 0.000000 0.000000 
1 1 1   52    0   13 o   2.6110   1.7030   2.6110   1.7030   2.6110   1.7030 0.000000 0.000000 
1 1 1   52    0   14 o   15.640   0.8198   15.640   0.8198   15.640   0.8198 -0.000000 0.000000 
1 1 1   52    0   15 o   8.7920   1.4960   8.7920   1.4960   8.7920   1.4960 -0.000000 0.000000 
1 1 1   52    0   16 f   3.0290   2.0610   3.0290   2.0610   3.0290   2.0610 0.000000 0.000000 
1 1 1   52    0   17 f   5.9220   2.2180   5.9220   2.2180   5.9220   2.2180 0.000000 0.000000 
1 1 1   52    0   18 o   3.4740   2.0790   3.4740   2.0790   3.4740   2.0790 -0.000000 0.000000 
1 1 1   52    0   19 o   3.4590   2.0710   3.4590   2.0710   3.4590   2.0710 0.000000 0.000000 
1 1 1   52    0   20 o   2.9720   1.9100   2.9720   1.9100   2.9720   1.9100 -0.000000 0.000000 
1 1 1   52    0   21 o   3.0280   1.9350   3.0280   1.9350   3.0280   1.9350 -0.000000 0.000000 
1 1 1   52    0   22 o   3.3130   2.0360   3.3130   2.0360   3.3130   2.0360 -0.000000 0.000000 
1 1 1   52    0   23 o   5.3490   2.3930   5.3490   2.3930   5.3490   2.3930 0.000000 0.000000 
1 1 1   52    0   24 o   2.2000   1.5860   2.2000   1.5860   2.2000   1.5860 0.000000 0.000000 
1 1 1   52    2    0 o   6.0390   0.9696   6.7080   1.2910   5.3700   1.4470 1.338000 1.939000 
1 1 1   52    2    1 o   17.820   0.3707   17.640   0.5260   17.990   0.5223 -0.3425000 0.7413000 
1 1 1   52    2    2 o   16.490   0.5242   16.430   0.7091   16.540   0.7722 -0.1061000 1.048000 
1 1 1   52    2    3 o   9.9090   0.8505   9.2780   1.2220   10.540   1.1830 -1.263000 1.701000 
1 1 1   52    2    4 o   19.160   0.3730   18.730   0.5413   19.580   0.5134 -0.8521000 0.7460000 
1 1 1   52    2    5 o   4.9500   1.0650   3.6480   1.5310   6.2510   1.4800 -2.603000 2.129000 
1 1 1   52    2    6 o   3.8260   1.0860   3.3790   1.4720   4.2730   1.5980 -0.8941000 2.173000 
1 1 1   52    2    7 o   14.040   0.4908   14.360   0.6778   13.730   0.7101 0.6325000 0.9816000 
1 1 1   52    2    8 o   7.1560   0.9756   9.6110   1.0410   4.7000   1.6500 4.911000 1.951000 
1 1 1   52    2    9 o   11.820   0.6136   12.040   0.8424   11.600   0.8923 0.4434000 1.227000 
1 1 1   52    2   10 o   21.280   0.4219   21.500   0.5938   21.050   0.5996 0.4441000 0.8439000 
1 1 1   52    2   11 o   15.330   0.5688   15.770   0.7939   14.890   0.8149 0.8759000 1.138000 
1 1 1   52    2   12 o   8.8820   1.0410   7.1700   1.7440   10.590   1.1380 -3.424000 2.082000 
1 1 1   52    2   13 o   15.430   0.5306   15.960   0.7195   14.910   0.7800 1.045000 1.061000 
1 1 1   52    2   14 o   7.7860   1.0880   7.8530   1.5120   7.7180   1.5650 0.1344000 2.176000 
1 1 1   52    2   15 o   10.720   1.0050   10.230   1.5830   11.210   1.2380 -0.9826000 2.010000 
1 1 1   52    2   16 o   5.5130   1.4110   4.9270   1.9340   6.1000   2.0540 -1.172000 2.821000 
1 1 1   52    2   17 o   4.9150   1.2500   3.8220   1.6730   6.0080   1.8580 -2.186000 2.500000 
1 1 1   52    2   18 o   5.3000   1.3070   5.8590   1.8600   4.7420   1.8370 1.117000 2.614000 
1 1 1   52    2   19 o   3.5830   1.1450   3.1580   1.5020   4.0080   1.7280 -0.8497000 2.290000 
1 1 1   52    2   20 o   3.5700   1.1500   3.8140   1.6890   3.3260   1.5600 0.4884000 2.300000 
1 1 1   52    2   21 o   4.3130   1.2400   5.2840   1.9180   3.3420   1.5710 1.943000 2.479000 
1 1 1   52    2   22 o   4.4620   1.2330   3.2450   1.5360   5.6790   1.9290 -2.434000 2.466000 
1 1 1   52    2   23 o   3.8030   1.2180   3.1210   1.5230   4.4840   1.9020 -1.363000 2.437000 
1 1 1   52    2   24 o   2.7860   0.9826   2.6880   1.3460   2.8850   1.4320 -0.1963000 1.965000 
1 1 1   52    4    0 o   13.830   0.4039   13.820   0.5802   13.850   0.5620 -0.2380000E-01 0.8077000 
1 1 1   52    4    1 o   17.270   0.3539   17.200   0.5050   17.340   0.4961 -0.1332000 0.7079000 
1 1 1   52    4    2 o   22.010   0.4017   22.100   0.6648   21.920   0.4510 0.1851000 0.8033000 
1 1 1   52    4    3 o   7.3760   1.1890   8.0740   1.4840   6.6770   1.8570 1.398000 2.377000 
1 1 1   52    4    4 o   12.970   0.6869   12.620   0.9319   13.330   1.0090 -0.7115000 1.374000 
1 1 1   52    4    5 o   10.230   0.6443   10.280   0.9380   10.180   0.8834 0.9282000E-01 1.289000 
1 1 1   52    4    6 o   6.3030   1.0620   6.2390   1.5340   6.3670   1.4690 -0.1284000 2.124000 
1 1 1   52    4    7 o   13.080   0.5740   14.070   0.8270   12.080   0.7961 1.990000 1.148000 
1 1 1   52    4    8 o   14.390   0.5264   14.210   0.7442   14.560   0.7448 -0.3451000 1.053000 
1 1 1   52    4    9 o   10.070   0.7542   9.4350   1.1450   10.710   0.9821 -1.277000 1.508000 
1 1 1   52    4   10 o   3.3600   1.0240   2.6100   1.2610   4.1100   1.6150 -1.501000 2.049000 
1 1 1   52    4   11 o   6.9910   1.0590   6.5300   1.5770   7.4520   1.4130 -0.9224000 2.117000 
1 1 1   52    4   12 o   9.6530   0.9319   9.7360   1.3310   9.5700   1.3050 0.1655000 1.864000 
1 1 1   52    4   13 o   8.2360   1.0050   8.9210   1.2690   7.5510   1.5590 1.370000 2.010000 
1 1 1   52    4   14 o   5.5790   1.2650   3.9170   1.7560   7.2410   1.8220 -3.325000 2.530000 
1 1 1   52    4   15 o   9.0930   0.9655   8.2160   1.4930   9.9700   1.2250 -1.754000 1.931000 
1 1 1   52    4   16 o   4.2150   1.2810   4.1030   1.7290   4.3280   1.8910 -0.2255000 2.562000 
1 1 1   52    4   17 o   3.4990   1.1600   3.0510   1.4690   3.9480   1.7950 -0.8974000 2.320000 
1 1 1   52    4   18 f   4.9750   1.3020   4.1610   1.7700   5.7900   1.9100 -1.630000 2.603000 
1 1 1   52    4   19 o   6.1340   1.3070   7.3520   1.7930   4.9160   1.9020 2.436000 2.614000 
1 1 1   52    4   20 o   3.6910   1.1630   4.3320   1.8040   3.0510   1.4670 1.281000 2.325000 
1 1 1   52    4   21 o   5.6320   1.3050   6.7590   1.8520   4.5040   1.8390 2.255000 2.609000 
1 1 1   52    4   22 o   4.5560   1.2700   5.9610   2.0500   3.1520   1.5010 2.809000 2.541000 
1 1 1   52    4   23 o   2.6390   0.9340   2.7330   1.3630   2.5440   1.2770 0.1897000 1.868000 
1 1 1   52    4   24 o   2.5150   0.8977   2.4590   1.2450   2.5710   1.2940 -0.1115000 1.795000 
1 1 1   52    6    0 o   28.610   0.3267   28.630   0.4596   28.590   0.4644 0.3762000E-01 0.6534000 
1 1 1   52    6    1 o   19.610   0.3273   19.390   0.4588   19.820   0.4669 -0.4268000 0.6546000 
1 1 1   52    6    2 f   12.850   0.4601   11.750   0.6899   13.950   0.6088 -2.191000 0.9201000 
1 1 1   52    6    3 o   10.720   0.5675   11.320   0.7448   10.110   0.8565 1.209000 1.135000 
1 1 1   52    6    4 o   4.2270   1.2280   3.7200   1.6150   4.7350   1.8500 -1.014000 2.456000 
1 1 1   52    6    5 o   3.0650   0.9709   2.6730   1.2660   3.4560   1.4720 -0.7835000 1.942000 
1 1 1   52    6    6 f   8.7160   0.8215   8.7650   1.1540   8.6670   1.1690 0.9862000E-01 1.643000 
1 1 1   52    6    7 o   18.660   0.4226   18.730   0.5947   18.600   0.6005 0.1341000 0.8451000 
1 1 1   52    6    8 o   3.4590   1.0590   3.2800   1.4600   3.6380   1.5350 -0.3577000 2.119000 
1 1 1   52    6    9 o   3.9620   1.0670   2.8420   1.3400   5.0830   1.6620 -2.241000 2.135000 
1 1 1   52    6   10 o   7.2700   0.9966   4.7690   1.6930   9.7700   1.0520 -5.001000 1.993000 
1 1 1   52    6   11 o   8.6870   0.8858   9.2450   1.1570   8.1300   1.3410 1.115000 1.772000 
1 1 1   52    6   12 o   5.3880   1.3010   6.2010   1.8930   4.5760   1.7870 1.625000 2.603000 
1 1 1   52    6   13 o   5.2660   1.2840   6.7240   1.9470   3.8080   1.6760 2.916000 2.569000 
1 1 1   52    6   14 o   7.4470   1.1050   8.6040   1.3460   6.2890   1.7530 2.315000 2.210000 
1 1 1   52    6   15 o   10.060   0.8454   9.7710   1.2090   10.340   1.1820 -0.5675000 1.691000 
1 1 1   52    6   16 o   8.8860   1.0080   8.1260   1.5040   9.6460   1.3440 -1.520000 2.016000 
1 1 1   52    6   17 o   3.1100   1.0650   3.0880   1.4800   3.1320   1.5310 -0.4409000E-01 2.129000 
1 1 1   52    6   18 o   3.7720   1.1790   3.3940   1.5660   4.1500   1.7640 -0.7551000 2.359000 
1 1 1   52    6   19 o   3.3120   1.0890   2.8410   1.3810   3.7830   1.6830 -0.9419000 2.177000 
1 1 1   52    6   20 o   4.1790   1.2260   5.0560   1.9030   3.3030   1.5460 1.753000 2.452000 
1 1 1   52    6   21 o   4.0910   1.2330   3.5920   1.6310   4.5900   1.8500 -0.9980000 2.466000 
1 1 1   52    6   22 o   3.1920   1.0870   3.1920   1.5380   3.1920   1.5360 0.1011000E-03 2.174000 
1 1 1   52    6   23 o   2.6320   0.9216   2.5650   1.2770   2.7000   1.3290 -0.1351000 1.843000 
1 1 1   52    6   24 o   2.0290   1.0560  ?   ?    2.0290   1.0560      ?      ? 
1 1 1   52    8    0 f   7.8510   0.7942   7.7430   1.1710   7.9590   1.0740 -0.2160000 1.588000 
1 1 1   52    8    1 o   11.420   0.4760   11.350   0.6776   11.480   0.6688 -0.1303000 0.9521000 
1 1 1   52    8    2 o   10.730   0.5407   10.330   0.7778   11.130   0.7512 -0.8032000 1.081000 
1 1 1   52    8    3 o   3.6320   1.0510   3.8900   1.5390   3.3740   1.4320 0.5161000 2.102000 
1 1 1   52    8    4 o   21.280   0.5115   20.490   0.6818   22.060   0.7625 -1.566000 1.023000 
1 1 1   52    8    5 o   5.0050   1.1360   4.1350   1.6080   5.8740   1.6040 -1.739000 2.271000 
1 1 1   52    8    6 o   14.260   0.4866   14.820   0.6552   13.700   0.7197 1.118000 0.9733000 
1 1 1   52    8    7 o   9.6240   0.7184   9.7070   1.0150   9.5400   1.0170 0.1664000 1.437000 
1 1 1   52    8    8 o   6.0720   1.0830   7.1740   1.3920   4.9690   1.6590 2.204000 2.165000 
1 1 1   52    8    9 o   10.500   0.6849   11.040   0.9229   9.9490   1.0120 1.094000 1.370000 
1 1 1   52    8   10 o   12.660   0.5967   12.070   0.8831   13.250   0.8027 -1.180000 1.193000 
1 1 1   52    8   11 o   3.4790   1.1090   3.0890   1.4640   3.8690   1.6660 -0.7797000 2.218000 
1 1 1   52    8   12 o   6.5760   1.3790   4.8870   2.0670   8.2650   1.8260 -3.378000 2.758000 
1 1 1   52    8   13 o   6.8500   1.1880   7.3670   1.5820   6.3340   1.7740 1.033000 2.377000 
1 1 1   52    8   14 o   4.3340   1.2150   5.0260   1.8070   3.6430   1.6240 1.383000 2.430000 
1 1 1   52    8   15 o   4.1890   1.2140   3.5760   1.5960   4.8010   1.8300 -1.225000 2.428000 
1 1 1   52    8   16 o   4.1410   1.2260   3.6590   1.6300   4.6220   1.8310 -0.9629000 2.451000 
1 1 1   52    8   17 o   4.6930   1.3740   4.6080   1.8740   4.7780   2.0090 -0.1696000 2.747000 
1 1 1   52    8   18 o   3.3330   1.0770   4.1270   1.7430   2.5380   1.2660 1.589000 2.154000 
1 1 1   52    8   19 o   3.8450   1.1900   3.0880   1.4740   4.6020   1.8680 -1.514000 2.380000 
1 1 1   52    8   20 o   4.4170   1.2320   5.7050   1.9620   3.1280   1.4910 2.576000 2.464000 
1 1 1   52    8   21 o   3.6650   1.1860   3.1350   1.5150   4.1950   1.8240 -1.060000 2.372000 
1 1 1   52    8   22 o   3.1830   1.0670   3.1290   1.4930   3.2370   1.5250 -0.1078000 2.134000 
1 1 1   52    8   23 f   2.4980   0.8821   2.6930   1.3270   2.3030   1.1630 0.3893000 1.764000 
1 1 1   52   10    0 f   18.390   0.4348   18.620   0.7030   18.160   0.5119 0.4570000 0.8697000 
1 1 1   52   10    1 o   16.460   0.3891   15.900   0.5600   17.020   0.5405 -1.115000 0.7783000 
1 1 1   52   10    2 o   16.590   0.3911   16.560   0.5299   16.620   0.5753 -0.5301000E-01 0.7822000 
1 1 1   52   10    3 f   12.300   0.5138   12.640   0.7220   11.950   0.7313 0.6921000 1.028000 
1 1 1   52   10    4 o   18.240   0.5011   18.310   0.6910   18.170   0.7259 0.1409000 1.002000 
1 1 1   52   10    5 o   7.6720   0.9591   7.1070   1.5300   8.2380   1.1570 -1.131000 1.918000 
1 1 1   52   10    6 o   9.4230   0.7949   9.0760   1.2360   9.7700   1.0000 -0.6939000 1.590000 
1 1 1   52   10    7 o   14.500   0.5360   14.320   0.8217   14.680   0.6886 -0.3517000 1.072000 
1 1 1   52   10    8 o   4.0670   1.1750   4.2090   1.7230   3.9240   1.5970 0.2850000 2.350000 
1 1 1   52   10    9 o   5.8620   1.1940   4.4620   1.7790   7.2620   1.5950 -2.800000 2.389000 
1 1 1   52   10   10 o   11.810   0.7469   12.320   1.0610   11.310   1.0510 1.005000 1.494000 
1 1 1   52   10   11 o   4.3140   1.2400   4.1560   1.7890   4.4730   1.7190 -0.3178000 2.481000 
1 1 1   52   10   12 o   9.0720   1.4250   9.7360   2.3430   8.4080   1.6220 1.328000 2.850000 
1 1 1   52   10   13 o   5.2000   1.3080   4.5030   1.8970   5.8970   1.8010 -1.393000 2.616000 
1 1 1   52   10   14 o   4.1630   1.2640   4.2450   1.8520   4.0800   1.7230 0.1643000 2.529000 
1 1 1   52   10   15 o   4.0040   1.2420   3.7820   1.7580   4.2270   1.7550 -0.4449000 2.484000 
1 1 1   52   10   16 o   4.9410   1.4970   5.8110   2.3650   4.0700   1.8380 1.741000 2.995000 
1 1 1   52   10   17 o   5.3960   1.5580   6.7090   2.5120   4.0830   1.8450 2.626000 3.117000 
1 1 1   52   10   18 o   3.2420   1.0920   2.9860   1.4810   3.4970   1.6060 -0.5105000 2.184000 
1 1 1   52   10   19 o   4.4260   1.3290   3.8850   1.8140   4.9680   1.9420 -1.083000 2.657000 
1 1 1   52   10   20 o   3.6660   1.2200   4.6500   2.0410   2.6830   1.3360 1.967000 2.439000 
1 1 1   52   10   21 o   4.0220   1.2300   3.2940   1.6180   4.7500   1.8540 -1.455000 2.461000 
1 1 1   52   10   22 f   3.1050   1.0510   2.7360   1.3790   3.4750   1.5870 -0.7389000 2.103000 
1 1 1   52   12    0 o   7.4530   1.1580  ?   ?    7.4530   1.1580      ?      ? 
1 1 1   52   12    1 o   12.800   0.5087   12.830   0.7431   12.770   0.6949 0.5484000E-01 1.017000 
1 1 1   52   12    2 o   3.5980   1.0610   4.0500   1.5940   3.1450   1.4000 0.9056000 2.121000 
1 1 1   52   12    3 o   11.800   0.7365   12.100   1.0150   11.500   1.0670 0.5949000 1.473000 
1 1 1   52   12    4 o   4.6260   1.1250   3.8240   1.5780   5.4280   1.6040 -1.604000 2.250000 
1 1 1   52   12    5 o   10.170   0.7097   9.9600   1.0620   10.370   0.9419 -0.4129000 1.419000 
1 1 1   52   12    6 o   10.910   0.6841   11.110   0.9113   10.700   1.0200 0.4144000 1.368000 
1 1 1   52   12    7 o   5.4140   1.2400   5.6520   1.7580   5.1750   1.7500 0.4762000 2.480000 
1 1 1   52   12    8 o   6.4040   1.1240   7.1790   1.4340   5.6300   1.7310 1.549000 2.248000 
1 1 1   52   12    9 f   5.0560   1.2100   5.5500   1.6750   4.5620   1.7460 0.9882000 2.419000 
1 1 1   52   12   10 o   4.6670   1.1370   5.9610   1.6930   3.3720   1.5180 2.590000 2.274000 
1 1 1   52   12   11 o   4.7990   1.3290   4.4930   1.8690   5.1060   1.8890 -0.6136000 2.657000 
1 1 1   52   12   12 o   8.5150   1.2060   9.7560   1.5550   7.2740   1.8430 2.482000 2.411000 
1 1 1   52   12   13 o   7.3610   1.0750   4.5610   1.7750   10.160   1.2140 -5.598000 2.150000 
1 1 1   52   12   14 o   7.6510   1.1620   7.4940   1.6400   7.8090   1.6480 -0.3148000 2.325000 
1 1 1   52   12   15 o   3.4260   1.1090   3.4690   1.5750   3.3840   1.5620 0.8489000E-01 2.218000 
1 1 1   52   12   16 o   3.1290   1.0720   3.4120   1.6120   2.8460   1.4130 0.5656000 2.143000 
1 1 1   52   12   17 o   3.2490   1.0780   2.9350   1.4200   3.5630   1.6210 -0.6279000 2.155000 
1 1 1   52   12   18 o   4.2080   1.2890   4.1000   1.7920   4.3150   1.8540 -0.2155000 2.579000 
1 1 1   52   12   19 o   3.2700   1.0830   2.7460   1.3490   3.7950   1.6940 -1.049000 2.165000 
1 1 1   52   12   20 o   2.9160   0.9961   2.4500   1.2270   3.3820   1.5700 -0.9320000 1.992000 
1 1 1   52   12   21 o   3.0120   1.0210   3.3210   1.5490   2.7030   1.3290 0.6178000 2.041000 
1 1 1   52   14    0 f   8.4550   0.6879   8.4490   0.9489   8.4610   0.9961 -0.1125000E-01 1.376000 
1 1 1   52   14    1 o   13.260   0.6082   12.730   0.8184   13.800   0.8998 -1.065000 1.216000 
1 1 1   52   14    2 o   6.4740   1.1790   7.1490   1.4520   5.7990   1.8580 1.349000 2.358000 
1 1 1   52   14    3 o   10.540   0.6663   11.010   0.8552   10.060   1.0220 0.9476000 1.333000 
1 1 1   52   14    4 o   14.600   0.5159   15.480   0.6719   13.710   0.7830 1.764000 1.032000 
1 1 1   52   14    5 o   12.560   0.5588   12.660   0.7401   12.450   0.8375 0.2038000 1.118000 
1 1 1   52   14    6 o   3.7860   1.1110   3.5410   1.5000   4.0320   1.6400 -0.4908000 2.223000 
1 1 1   52   14    7 o   4.9810   1.1520   3.8130   1.5490   6.1490   1.7060 -2.336000 2.304000 
1 1 1   52   14    8 o   6.9600   1.0880   6.4710   1.5300   7.4490   1.5480 -0.9785000 2.176000 
1 1 1   52   14    9 o   6.9730   1.1180   7.3620   1.4410   6.5830   1.7100 0.7791000 2.236000 
1 1 1   52   14   10 o   4.9050   1.2790   5.3830   1.7570   4.4260   1.8580 0.9573000 2.557000 
1 1 1   52   14   11 o   3.7000   1.2010   3.4090   1.6170   3.9900   1.7770 -0.5812000 2.403000 
1 1 1   52   14   12 o   3.6280   1.1380   3.0440   1.4420   4.2120   1.7590 -1.167000 2.275000 
1 1 1   52   14   13 o   3.7850   1.1780   3.7270   1.6360   3.8430   1.6940 -0.1164000 2.355000 
1 1 1   52   14   14 o   3.6060   1.1500   3.4480   1.5710   3.7650   1.6790 -0.3165000 2.299000 
1 1 1   52   14   15 o   3.7910   1.2320   3.5540   1.6530   4.0290   1.8270 -0.4749000 2.463000 
1 1 1   52   14   16 o   3.2270   1.1160   3.4110   1.6390   3.0430   1.5160 0.3685000 2.233000 
1 1 1   52   14   17 o   4.3680   1.2950   3.8700   1.7300   4.8670   1.9260 -0.9970000 2.589000 
1 1 1   52   14   18 o   2.9630   1.0080   2.9090   1.4090   3.0160   1.4420 -0.1071000 2.017000 
1 1 1   52   14   19 o   2.2040   0.7895   2.2350   1.1310   2.1740   1.1020 0.6192000E-01 1.579000 
1 1 1   52   14   20 o   2.6090   0.9220   2.8210   1.3990   2.3980   1.2010 0.4231000 1.844000 
1 1 1   52   16    0 o   16.420   0.4862   15.730   0.6587   17.110   0.7154 -1.377000 0.9724000 
1 1 1   52   16    1 o   4.7400   1.1290   4.4010   1.5580   5.0780   1.6340 -0.6775000 2.258000 
1 1 1   52   16    2 f   3.7230   1.0700   4.0240   1.5370   3.4230   1.4890 0.6014000 2.140000 
1 1 1   52   16    3 o   3.1510   0.9931   3.5460   1.4910   2.7550   1.3130 0.7912000 1.986000 
1 1 1   52   16    4 o   11.930   0.6094   12.490   0.7789   11.370   0.9373 1.120000 1.219000 
1 1 1   52   16    5 o   4.4270   1.1700   3.8090   1.5640   5.0440   1.7400 -1.235000 2.340000 
1 1 1   52   16    6 o   10.180   0.7562   11.050   0.9207   9.3000   1.2000 1.754000 1.512000 
1 1 1   52   16    7 o   5.4530   1.2090   6.1790   1.6540   4.7270   1.7650 1.452000 2.419000 
1 1 1   52   16    8 f   3.4240   1.0780   2.8100   1.3450   4.0370   1.6860 -1.227000 2.157000 
1 1 1   52   16    9 o   9.5980   0.9792   9.2420   1.2460   9.9540   1.5110 -0.7124000 1.958000 
1 1 1   52   16   10 o   5.2400   1.3460   7.2920   2.2060   3.1870   1.5420 4.105000 2.691000 
1 1 1   52   16   11 o   6.1820   1.2510   7.1720   1.6350   5.1920   1.8930 1.980000 2.501000 
1 1 1   52   16   12 o   10.800   0.8458   10.970   1.1170   10.640   1.2710 0.3274000 1.692000 
1 1 1   52   16   13 o   5.0130   1.3340   5.0680   1.8670   4.9590   1.9070 0.1098000 2.669000 
1 1 1   52   16   14 o   4.8860   1.2660   3.2420   1.5450   6.5290   2.0070 -3.287000 2.533000 
1 1 1   52   16   15 o   4.8510   1.4500   5.2520   2.1110   4.4490   1.9900 0.8029000 2.901000 
1 1 1   52   16   16 o   2.8170   0.9728   2.5110   1.2490   3.1230   1.4910 -0.6121000 1.946000 
1 1 1   52   16   17 o   3.2290   1.0700   3.6520   1.6450   2.8060   1.3700 0.8461000 2.141000 
1 1 1   52   16   18 o   2.7730   0.9575   3.4140   1.5790   2.1330   1.0840 1.280000 1.915000 
1 1 1   52   16   19 o   2.5030   0.9151   2.2740   1.1690   2.7320   1.4080 -0.4580000 1.830000 
1 1 1   52   18    0 o   8.9600   0.7726   9.1990   1.0250   8.7210   1.1570 0.4779000 1.545000 
1 1 1   52   18    1 o   7.4570   0.9573   6.1430   1.5200   8.7710   1.1640 -2.628000 1.915000 
1 1 1   52   18    2 o   12.160   0.6017   12.920   0.7604   11.390   0.9329 1.521000 1.203000 
1 1 1   52   18    3 o   7.0960   1.0310   5.9020   1.5830   8.2900   1.3220 -2.388000 2.062000 
1 1 1   52   18    4 o   6.6100   1.1220   5.6920   1.6780   7.5270   1.4900 -1.835000 2.244000 
1 1 1   52   18    5 o   4.2460   1.1080   2.8930   1.3700   5.6000   1.7410 -2.706000 2.216000 
1 1 1   52   18    6 o   4.1870   1.1940   4.4010   1.7150   3.9740   1.6620 0.4271000 2.388000 
1 1 1   52   18    7 o   4.2630   1.1980   4.7850   1.7510   3.7410   1.6360 1.045000 2.396000 
1 1 1   52   18    8 o   6.2080   1.3290   8.0560   1.8800   4.3610   1.8780 3.694000 2.657000 
1 1 1   52   18    9 o   5.9280   1.4100   7.2500   2.0330   4.6060   1.9530 2.645000 2.819000 
1 1 1   52   18   10 o   5.1090   1.3070   4.9700   1.7990   5.2480   1.8950 -0.2777000 2.613000 
1 1 1   52   18   11 o   3.9090   1.2170   4.2440   1.7910   3.5740   1.6480 0.6706000 2.434000 
1 1 1   52   18   12 o   4.7970   1.2680   3.1990   1.5230   6.3950   2.0280 -3.195000 2.536000 
1 1 1   52   18   13 o   3.7880   1.2180   3.4290   1.5840   4.1480   1.8510 -0.7197000 2.436000 
1 1 1   52   18   14 o   3.6790   1.2030   4.0200   1.7910   3.3380   1.6070 0.6825000 2.406000 
1 1 1   52   18   15 o   3.2650   1.0720   2.4610   1.2260   4.0700   1.7590 -1.609000 2.145000 
1 1 1   52   18   16 o   3.2190   1.0700   3.2410   1.5130   3.1960   1.5130 0.4517000E-01 2.140000 
1 1 1   52   18   17 o   2.4320   0.8614   2.6730   1.3170   2.1900   1.1110 0.4832000 1.723000 
1 1 1   52   20    0 o   4.7000   1.2000   4.9290   1.6960   4.4710   1.6990 0.4583000 2.400000 
1 1 1   52   20    1 o   3.9780   1.1580   3.9620   1.6340   3.9950   1.6410 -0.3273000E-01 2.316000 
1 1 1   52   20    2 o   6.1790   1.1500   7.3830   1.4720   4.9750   1.7670 2.407000 2.300000 
1 1 1   52   20    3 o   3.5720   1.1000   3.8950   1.6220   3.2490   1.4860 0.6459000 2.200000 
1 1 1   52   20    4 o   9.9200   0.7904   9.8400   1.1190  10.0000   1.1170 -0.1602000 1.581000 
1 1 1   52   20    5 o   5.5800   1.2010   6.7060   1.6370   4.4550   1.7570 2.251000 2.402000 
1 1 1   52   20    6 f   5.4550   1.4020   4.6770   1.9160   6.2340   2.0460 -1.557000 2.803000 
1 1 1   52   20    7 o   4.1380   1.3300   4.8400   2.0690   3.4350   1.6720 1.404000 2.660000 
1 1 1   52   20    8 o   5.6620   1.2870   6.9590   1.7830   4.3650   1.8550 2.594000 2.573000 
1 1 1   52   20    9 o   4.2650   1.2710   3.8720   1.7010   4.6580   1.8900 -0.7856000 2.543000 
1 1 1   52   20   10 f   3.3080   1.0910   3.4890   1.5980   3.1270   1.4860 0.3618000 2.182000 
1 1 1   52   20   11 o   4.0720   1.2230   4.4280   1.7980   3.7160   1.6570 0.7119000 2.445000 
1 1 1   52   20   12 o   4.6650   1.3820   4.5560   1.9150   4.7750   1.9930 -0.2185000 2.764000 
1 1 1   52   20   13 o   3.2770   1.1130   3.4300   1.6230   3.1250   1.5230 0.3051000 2.225000 
1 1 1   52   20   14 o   2.6290   0.9156   2.9820   1.4250   2.2770   1.1500 0.7050000 1.831000 
1 1 1   52   20   15 o   2.3430   0.8391   2.3510   1.1890   2.3350   1.1840 0.1636000E-01 1.678000 
1 1 1   52   22    0 o   5.5030   1.2670   6.0270   1.8100   4.9780   1.7740 1.049000 2.535000 
1 1 1   52   22    1 o   3.8840   1.1790   4.3440   1.7590   3.4250   1.5700 0.9182000 2.358000 
1 1 1   52   22    2 f   2.8500   0.9668   2.1570   1.0920   3.5420   1.5960 -1.385000 1.934000 
1 1 1   52   22    3 o   5.1920   1.3090   4.6540   1.8270   5.7300   1.8750 -1.076000 2.618000 
1 1 1   52   22    4 o   4.1620   1.3330   4.0830   1.8720   4.2400   1.8970 -0.1568000 2.666000 
1 1 1   52   22    5 o   4.0510   1.2740   4.7490   1.9580   3.3530   1.6310 1.396000 2.549000 
1 1 1   52   22    6 o   3.7900   1.1710   3.7900   1.6410   3.7900   1.6720 0.9680000E-04 2.343000 
1 1 1   52   22    7 o   2.8370   0.9709   3.0170   1.4340   2.6580   1.3090 0.3595000 1.942000 
1 1 1   52   22    8 o   2.2740   0.8116   2.5120   1.2470   2.0360   1.0390 0.4760000 1.623000 
1 1 1   52   22    9 o   2.3580   0.8369   2.4070   1.2020   2.3090   1.1650 0.9810000E-01 1.674000 
1 1 1   52   22   10 o   2.5390   0.8915   2.6680   1.3090   2.4100   1.2110 0.2579000 1.783000 
1 1 1   52   22   11 o   2.3600   0.8468   2.3570   1.1940   2.3640   1.2020 -0.7057000E-02 1.694000 
1 1 1   52   22   12 o   2.5270   0.8979   2.7360   1.3560   2.3180   1.1770 0.4182000 1.796000 
1 1 1   52   24    0 o   5.1290   1.3540   4.0270   1.7660   6.2310   2.0510 -2.204000 2.707000 
1 1 1   52   24    1 o   4.1570   1.2820   4.4540   1.8670   3.8600   1.7570 0.5943000 2.564000 
1 1 1   52   24    2 o   4.0920   1.2840   3.7060   1.7020   4.4790   1.9230 -0.7733000 2.568000 
1 1 1   52   24    3 o   4.2000   1.2040   4.7370   1.7620   3.6640   1.6410 1.073000 2.408000 
1 1 1   52   24    4 o   2.6780   0.9268   2.8590   1.3730   2.4960   1.2450 0.3623000 1.854000 
1 1 1   52   24    5 o   2.7300   0.9408   2.6480   1.2940   2.8130   1.3660 -0.1650000 1.882000 
1 1 1   52   24    6 o   3.0280   1.0120   3.3500   1.5280   2.7060   1.3270 0.6435000 2.023000 
1 1 1   52   24    7 o   2.2690   0.8068   2.3230   1.1620   2.2150   1.1190 0.1077000 1.614000 
1 1 1   52   24    8 o   2.5120   0.9033   2.5100   1.2750   2.5150   1.2800 -0.4659000E-02 1.807000 
1 1 1   52   24    9 o   2.1110   0.7692   2.0470   1.0550   2.1760   1.1200 -0.1296000 1.538000 
1 1 1   52   26    0 f   3.5280   1.1190   3.3790   1.5440   3.6770   1.6210 -0.2980000 2.239000 
1 1 1   52   26    1 o   2.5270   0.8847   2.5670   1.2700   2.4870   1.2320 0.7964000E-01 1.769000 
1 1 1   52   26    2 o   2.8600   0.9824   2.6050   1.2860   3.1160   1.4860 -0.5109000 1.965000 
1 1 1   52   26    3 o   2.2880   0.8169   2.4010   1.2020   2.1750   1.1060 0.2259000 1.634000 
1 1 1   52   26    4 o   2.0360   0.7489   1.9130   0.9921   2.1600   1.1220 -0.2472000 1.498000 
1 1 1   53    1    0 o   21.420   0.3597   21.350   0.5366   21.490   0.4791 -0.1387000 0.7194000 
1 1 1   53    1    1 o   20.740   0.4706   21.130   0.6937   20.360   0.6360 0.7723000 0.9412000 
1 1 1   53    1    2 o   10.120   0.7972   9.6000   1.1130   10.640   1.1420 -1.041000 1.594000 
1 1 1   53    1    3 o   8.6630   0.7402   9.1130   1.0100   8.2140   1.0820 0.8992000 1.480000 
1 1 1   53    1    4 o   10.370   0.6201   9.9200   0.9319   10.830   0.8184 -0.9067000 1.240000 
1 1 1   53    1    5 o   9.8140   0.6790   9.4910   1.0060   10.140   0.9124 -0.6441000 1.358000 
1 1 1   53    1    6 o   5.5460   0.9730   7.6450   1.2720   3.4470   1.4730 4.198000 1.946000 
1 1 1   53    1    7 o   10.180   0.6776   10.090   0.9595   10.260   0.9572 -0.1732000 1.355000 
1 1 1   53    1    8 o   11.610   0.6350   13.390   0.7462   9.8280   1.0280 3.559000 1.270000 
1 1 1   53    1    9 o   4.4850   1.1610   4.1480   1.6220   4.8220   1.6630 -0.6745000 2.323000 
1 1 1   53    1   10 o   6.5070   1.1580   7.4790   1.5080   5.5350   1.7590 1.943000 2.316000 
1 1 1   53    1   11 o   11.280   0.8145   11.660   1.0720   10.910   1.2270 0.7544000 1.629000 
1 1 1   53    1   12 o   7.9810   0.9937   7.5770   1.4860   8.3860   1.3190 -0.8085000 1.987000 
1 1 1   53    1   13 o   9.1580   0.8895   9.3130   1.2510   9.0040   1.2650 0.3085000 1.779000 
1 1 1   53    1   14 o   2.8960   0.9789   2.9040   1.3880   2.8870   1.3810 0.1770000E-01 1.958000 
1 1 1   53    1   15 o   5.4310   1.3780   4.6350   1.9500   6.2280   1.9460 -1.592000 2.755000 
1 1 1   53    1   16 o   3.8970   1.2300   4.6150   1.9130   3.1800   1.5480 1.434000 2.460000 
1 1 1   53    1   17 o   4.1630   1.2320   4.3630   1.7840   3.9620   1.7010 0.4009000 2.465000 
1 1 1   53    1   18 o   3.3030   1.0920   3.4780   1.5920   3.1290   1.4960 0.3495000 2.185000 
1 1 1   53    1   19 o   3.7340   1.1810   4.1480   1.7770   3.3210   1.5570 0.8268000 2.363000 
1 1 1   53    1   20 o   5.7490   1.2730   7.3710   1.8120   4.1280   1.7870 3.243000 2.545000 
1 1 1   53    1   21 o   4.8120   1.1740   6.7080   1.8730   2.9160   1.4160 3.792000 2.348000 
1 1 1   53    1   22 o   3.7830   1.1870   3.9090   1.7080   3.6570   1.6490 0.2523000 2.374000 
1 1 1   53    1   23 o   2.5220   0.8999   2.7400   1.3680   2.3040   1.1700 0.4362000 1.800000 
1 1 1   53    1   24 o   2.2230   0.8069   2.1530   1.1040   2.2920   1.1770 -0.1388000 1.614000 
1 1 1   53    3    0 o   16.560   0.3579   16.970   0.4999   16.140   0.5125 0.8268000 0.7159000 
1 1 1   53    3    1 o   16.200   0.3792   15.950   0.5516   16.440   0.5206 -0.4930000 0.7585000 
1 1 1   53    3    2 o   13.950   0.4790   13.700   0.7339   14.190   0.6158 -0.4880000 0.9580000 
1 1 1   53    3    3 f   10.870   0.7796   11.070   1.0220   10.680   1.1770 0.3914000 1.559000 
1 1 1   53    3    4 o   2.4560   0.8427   2.7130   1.2870   2.2000   1.0880 0.5139000 1.685000 
1 1 1   53    3    5 o   15.650   0.4426   16.170   0.6165   15.140   0.6352 1.029000 0.8852000 
1 1 1   53    3    6 o   16.590   0.4287   16.820   0.6035   16.370   0.6089 0.4562000 0.8573000 
1 1 1   53    3    7 f   8.4900   0.8356   7.7740   1.2880   9.2050   1.0650 -1.431000 1.671000 
1 1 1   53    3    8 o   10.770   0.6591   10.520   0.9470   11.010   0.9170 -0.4935000 1.318000 
1 1 1   53    3    9 o   12.420   0.6296   12.530   0.8754   12.310   0.9051 0.2196000 1.259000 
1 1 1   53    3   10 o   4.3940   1.1690   4.7950   1.6810   3.9930   1.6240 0.8019000 2.338000 
1 1 1   53    3   11 o   7.8990   1.0290   8.7010   1.2400   7.0980   1.6410 1.603000 2.057000 
1 1 1   53    3   12 o   8.3280   1.0800   8.9550   1.4350   7.7020   1.6140 1.253000 2.159000 
1 1 1   53    3   13 o   3.6420   1.0790   4.7180   1.7530   2.5650   1.2590 2.153000 2.158000 
1 1 1   53    3   14 o   3.6840   1.1800   3.5240   1.6450   3.8430   1.6910 -0.3194000 2.359000 
1 1 1   53    3   15 o   4.6310   1.3380   4.8440   1.9500   4.4180   1.8320 0.4263000 2.676000 
1 1 1   53    3   16 o   4.4260   1.3190   4.0840   1.7640   4.7680   1.9620 -0.6843000 2.638000 
1 1 1   53    3   17 o   3.4410   1.1290   3.5140   1.6270   3.3670   1.5660 0.1464000 2.259000 
1 1 1   53    3   18 f   8.2030   1.1610   7.4750   1.7710   8.9300   1.5000 -1.455000 2.321000 
1 1 1   53    3   19 o   4.2500   1.2590   3.7870   1.6790   4.7130   1.8760 -0.9263000 2.517000 
1 1 1   53    3   20 o   5.8390   1.3570   6.1620   1.8940   5.5150   1.9440 0.6473000 2.714000 
1 1 1   53    3   21 o   3.4190   1.1240   3.2930   1.5490   3.5440   1.6300 -0.2518000 2.248000 
1 1 1   53    3   22 o   2.7550   0.9578   3.0420   1.4640   2.4680   1.2350 0.5737000 1.916000 
1 1 1   53    3   23 o   2.7630   0.9701   2.3460   1.1920   3.1790   1.5310 -0.8326000 1.940000 
1 1 1   53    3   24 o   2.4880   0.8981   2.4780   1.2660   2.4980   1.2750 -0.1955000E-01 1.796000 
1 1 1   53    5    0 o   12.640   0.6037   12.940   1.0650   12.330   0.5697 0.6058000 1.207000 
1 1 1   53    5    1 o   14.740   0.3900   14.640   0.5461   14.850   0.5570 -0.2182000 0.7800000 
1 1 1   53    5    2 o   4.0160   1.0470   3.3800   1.4550   4.6520   1.5060 -1.272000 2.094000 
1 1 1   53    5    3 o   8.0400   0.8149   7.4790   1.2580   8.6010   1.0360 -1.121000 1.630000 
1 1 1   53    5    4 o   11.610   0.7613   12.370   0.9203   10.850   1.2130 1.520000 1.523000 
1 1 1   53    5    5 o   8.2900   0.7949   7.8770   1.1990   8.7020   1.0440 -0.8252000 1.590000 
1 1 1   53    5    6 o   4.1680   1.0670   3.1590   1.4160   5.1780   1.5980 -2.019000 2.135000 
1 1 1   53    5    7 o   15.340   0.4992   15.220   0.7117   15.470   0.7001 -0.2511000 0.9984000 
1 1 1   53    5    8 o   10.500   0.7106   10.550   1.0130   10.460   0.9965 0.9530000E-01 1.421000 
1 1 1   53    5    9 o   5.4790   1.1390   4.6260   1.6690   6.3320   1.5510 -1.706000 2.279000 
1 1 1   53    5   10 o   3.3290   1.0510   3.3140   1.4820   3.3440   1.4900 -0.3013000E-01 2.102000 
1 1 1   53    5   11 o   7.6690   1.0230   8.8950   1.2370   6.4430   1.6290 2.452000 2.046000 
1 1 1   53    5   12 o   4.6960   1.2910   4.3730   1.8010   5.0200   1.8510 -0.6462000 2.583000 
1 1 1   53    5   13 o   4.3830   1.2800   3.8660   1.7480   4.9000   1.8710 -1.034000 2.560000 
1 1 1   53    5   14 o   5.3410   1.3570   6.3190   2.0120   4.3630   1.8200 1.956000 2.713000 
1 1 1   53    5   15 f   5.1280   1.2690   4.5180   1.7600   5.7380   1.8300 -1.220000 2.539000 
1 1 1   53    5   16 o   5.2230   1.3980   5.6670   1.9660   4.7790   1.9880 0.8879000 2.796000 
1 1 1   53    5   17 o   4.4560   1.3260   4.9150   1.9280   3.9980   1.8210 0.9170000 2.652000 
1 1 1   53    5   18 o   2.8410   0.9802   2.6370   1.3050   3.0440   1.4630 -0.4073000 1.960000 
1 1 1   53    5   19 o   3.4170   1.1140   3.7240   1.6630   3.1110   1.4830 0.6132000 2.228000 
1 1 1   53    5   20 o   3.6910   1.1670   3.9990   1.7230   3.3830   1.5740 0.6162000 2.334000 
1 1 1   53    5   21 o   3.6600   1.1620   3.1870   1.5090   4.1340   1.7670 -0.9475000 2.324000 
1 1 1   53    5   22 o   2.8220   0.9878   3.0840   1.5020   2.5600   1.2830 0.5234000 1.976000 
1 1 1   53    5   23 o   2.4650   0.8728   2.5080   1.2520   2.4220   1.2160 0.8683000E-01 1.746000 
1 1 1   53    7    0 o   9.7010   0.5958   9.6160   0.8773   9.7850   0.8063 -0.1689000 1.192000 
1 1 1   53    7    1 o   14.970   0.3729   15.760   0.5128   14.180   0.5416 1.572000 0.7459000 
1 1 1   53    7    2 o   11.550   0.5083   10.770   0.7544   12.320   0.6814 -1.551000 1.017000 
1 1 1   53    7    3 o   8.5600   0.7279   7.2190   1.1540   9.9020   0.8875 -2.683000 1.456000 
1 1 1   53    7    4 o   8.0120   1.1340   8.3240   1.5030   7.7000   1.6990 0.6237000 2.268000 
1 1 1   53    7    5 o   3.7220   1.0870   4.0450   1.5870   3.3990   1.4850 0.6467000 2.174000 
1 1 1   53    7    6 o   6.4780   1.0900   6.9870   1.4550   5.9690   1.6230 1.018000 2.180000 
1 1 1   53    7    7 o   3.4130   1.0500   3.2660   1.4510   3.5600   1.5180 -0.2939000 2.100000 
1 1 1   53    7    8 o   4.6760   1.0880   3.3520   1.4770   6.0000   1.5980 -2.648000 2.176000 
1 1 1   53    7    9 o   4.3570   1.1680   4.1410   1.6380   4.5740   1.6640 -0.4337000 2.335000 
1 1 1   53    7   10 o   11.870   0.6357   12.220   0.8729   11.530   0.9242 0.6947000 1.271000 
1 1 1   53    7   11 o   5.2980   1.2260   5.9030   1.7280   4.6930   1.7410 1.210000 2.453000 
1 1 1   53    7   12 o   6.9370   1.4760   8.2630   2.1430   5.6110   2.0310 2.652000 2.952000 
1 1 1   53    7   13 o   4.2680   1.2160   4.6790   1.7810   3.8560   1.6550 0.8226000 2.431000 
1 1 1   53    7   14 o   2.9860   1.0020   2.7950   1.3490   3.1770   1.4810 -0.3816000 2.003000 
1 1 1   53    7   15 o   5.4930   1.2910   5.8020   1.8050   5.1840   1.8450 0.6178000 2.581000 
1 1 1   53    7   16 o   8.9580   1.0610   9.4130   1.3570   8.5030   1.6310 0.9101000 2.122000 
1 1 1   53    7   17 o   4.7650   1.3280   3.3290   1.5720   6.2020   2.1410 -2.874000 2.657000 
1 1 1   53    7   18 o   3.2320   1.0760   3.1690   1.4970   3.2950   1.5460 -0.1258000 2.152000 
1 1 1   53    7   19 o   3.5880   1.1540   3.6290   1.6410   3.5470   1.6240 0.8141000E-01 2.308000 
1 1 1   53    7   20 o   3.4680   1.1280   3.6530   1.6490   3.2820   1.5410 0.3717000 2.257000 
1 1 1   53    7   21 o   3.8520   1.2060   4.9660   1.9890   2.7390   1.3650 2.227000 2.412000 
1 1 1   53    7   22 o   2.6130   0.9180   2.5320   1.2630   2.6950   1.3320 -0.1626000 1.836000 
1 1 1   53    7   23 o   2.1720   0.7804   2.0870   1.0640   2.2570   1.1420 -0.1698000 1.561000 
1 1 1   53    9    0 o   23.320   0.3591   23.190   0.5057   23.450   0.5099 -0.2552000 0.7181000 
1 1 1   53    9    1 o   14.970   0.4078   14.380   0.5961   15.560   0.5567 -1.186000 0.8156000 
1 1 1   53    9    2 o   25.180   0.3288   24.890   0.4597   25.470   0.4702 -0.5814000 0.6576000 
1 1 1   53    9    3 o   13.580   0.4953   14.150   0.6610   13.010   0.7378 1.134000 0.9906000 
1 1 1   53    9    4 o   14.570   0.5915   14.710   0.7414   14.430   0.9220 0.2773000 1.183000 
1 1 1   53    9    5 f   17.410   0.4209   17.460   0.6057   17.370   0.5846 0.8505000E-01 0.8418000 
1 1 1   53    9    6 o   3.3560   1.0120   4.1520   1.6050   2.5600   1.2320 1.592000 2.023000 
1 1 1   53    9    7 o   3.5260   1.0630   3.2000   1.4340   3.8520   1.5700 -0.6520000 2.126000 
1 1 1   53    9    8 o   6.3670   1.0920   6.1190   1.5720   6.6140   1.5170 -0.4953000 2.184000 
1 1 1   53    9    9 o   6.9900   1.0570   6.2980   1.5980   7.6830   1.3840 -1.385000 2.114000 
1 1 1   53    9   10 o   6.8510   1.2130   6.9880   1.7130   6.7140   1.7190 0.2735000 2.426000 
1 1 1   53    9   11 o   11.220   0.7922   11.610   1.1220   10.830   1.1190 0.7817000 1.584000 
1 1 1   53    9   12 o   4.4010   1.2890   4.2060   1.8010   4.5950   1.8440 -0.3892000 2.578000 
1 1 1   53    9   13 o   10.260   0.8165   10.520   1.1050   9.9900   1.2030 0.5340000 1.633000 
1 1 1   53    9   14 o   4.7430   1.2680   4.8120   1.7920   4.6730   1.7940 0.1386000 2.535000 
1 1 1   53    9   15 o   3.2490   1.0680   3.0880   1.4530   3.4100   1.5640 -0.3223000 2.135000 
1 1 1   53    9   16 f   3.4770   1.1620   3.3180   1.5650   3.6350   1.7180 -0.3168000 2.324000 
1 1 1   53    9   17 o   4.1050   1.2140   5.3990   1.9830   2.8120   1.4000 2.588000 2.428000 
1 1 1   53    9   18 o   4.1920   1.2510   4.3270   1.7910   4.0560   1.7490 0.2716000 2.503000 
1 1 1   53    9   19 o   5.7260   1.3150   6.7730   1.8740   4.6780   1.8470 2.095000 2.631000 
1 1 1   53    9   20 o   5.0950   1.3770   4.4670   1.8990   5.7230   1.9940 -1.256000 2.754000 
1 1 1   53    9   21 o   3.6860   1.1330   4.7950   1.8710   2.5770   1.2780 2.218000 2.266000 
1 1 1   53    9   22 o   2.4350   0.8621   2.5960   1.2870   2.2740   1.1480 0.3220000 1.724000 
1 1 1   53   11    0 o   5.5270   0.9498   4.3880   1.4490   6.6670   1.2280 -2.279000 1.900000 
1 1 1   53   11    1 o   19.860   0.3332   19.910   0.4605   19.820   0.4818 0.8983000E-01 0.6665000 
1 1 1   53   11    2 o   19.570   0.3475   19.700   0.4744   19.430   0.5078 0.2752000 0.6950000 
1 1 1   53   11    3 o   10.220   0.8431   11.540   0.9002   8.8870   1.4260 2.657000 1.686000 
1 1 1   53   11    4 o   14.360   0.5903   14.530   0.7385   14.180   0.9210 0.3448000 1.181000 
1 1 1   53   11    5 o   17.650   0.4044   18.510   0.5364   16.790   0.6053 1.721000 0.8088000 
1 1 1   53   11    6 o   9.8380   0.7032   9.1990   1.0280   10.480   0.9596 -1.278000 1.406000 
1 1 1   53   11    7 o   5.2740   1.0560   3.1680   1.4720   7.3800   1.5140 -4.211000 2.111000 
1 1 1   53   11    8 o   8.0510   1.0850   6.6620   1.7670   9.4400   1.2600 -2.778000 2.171000 
1 1 1   53   11    9 o   9.2510   0.8750   8.6660   1.3420   9.8360   1.1230 -1.170000 1.750000 
1 1 1   53   11   10 o   6.7990   1.2420   7.4490   1.8220   6.1500   1.6900 1.299000 2.485000 
1 1 1   53   11   11 f   3.7270   1.1890   3.5340   1.6500   3.9200   1.7130 -0.3857000 2.379000 
1 1 1   53   11   12 o   7.2890   1.5350   6.6180   2.5220   7.9600   1.7490 -1.342000 3.070000 
1 1 1   53   11   13 o   3.6760   1.1790   4.0290   1.7870   3.3230   1.5390 0.7059000 2.358000 
1 1 1   53   11   14 o   4.2390   1.2770   3.9290   1.7900   4.5490   1.8210 -0.6201000 2.553000 
1 1 1   53   11   15 o   4.1130   1.2460   3.4320   1.6510   4.7940   1.8680 -1.362000 2.492000 
1 1 1   53   11   16 o   4.3970   1.4170   5.0900   2.2470   3.7040   1.7280 1.386000 2.835000 
1 1 1   53   11   17 o   3.5460   1.1650   3.2940   1.6060   3.7970   1.6880 -0.5036000 2.330000 
1 1 1   53   11   18 o   3.1710   1.0890   3.6660   1.7290   2.6770   1.3230 0.9889000 2.177000 
1 1 1   53   11   19 f   3.6790   1.1970   3.2110   1.5730   4.1480   1.8060 -0.9372000 2.395000 
1 1 1   53   11   20 o   2.9500   1.0180   2.7070   1.3660   3.1930   1.5080 -0.4855000 2.035000 
1 1 1   53   11   21 o   2.4830   0.8864   2.5800   1.3100   2.3850   1.1950 0.1947000 1.773000 
1 1 1   53   13    0 o   12.880   0.4851   12.990   0.6857   12.770   0.6863 0.2237000 0.9702000 
1 1 1   53   13    1 o   7.6500   0.8557   7.2090   1.2980   8.0920   1.1150 -0.8833000 1.711000 
1 1 1   53   13    2 o   4.1500   1.1960   4.4770   1.7310   3.8220   1.6500 0.6546000 2.392000 
1 1 1   53   13    3 o   12.600   0.6932   13.000   0.9456   12.210   1.0140 0.7958000 1.386000 
1 1 1   53   13    4 o   3.3050   1.0400   2.9610   1.3820   3.6490   1.5560 -0.6885000 2.081000 
1 1 1   53   13    5 o   18.500   0.4496   18.800   0.6398   18.200   0.6318 0.5978000 0.8992000 
1 1 1   53   13    6 o   14.820   0.5326   15.360   0.7499   14.280   0.7564 1.075000 1.065000 
1 1 1   53   13    7 o   3.9210   1.1590   4.2390   1.7060   3.6030   1.5710 0.6358000 2.319000 
1 1 1   53   13    8 o   5.9250   1.2690   6.2310   1.8270   5.6180   1.7620 0.6128000 2.538000 
1 1 1   53   13    9 o   4.9500   1.2460   6.1640   1.8860   3.7360   1.6290 2.428000 2.492000 
1 1 1   53   13   10 o   3.1830   1.0540   3.2030   1.5110   3.1630   1.4700 0.3936000E-01 2.108000 
1 1 1   53   13   11 o   4.8690   1.4010   4.4250   1.9860   5.3130   1.9760 -0.8876000 2.801000 
1 1 1   53   13   12 o   4.4470   1.2740   4.2350   1.7920   4.6590   1.8130 -0.4239000 2.549000 
1 1 1   53   13   13 o   3.9990   1.1990   4.8530   1.8810   3.1460   1.4870 1.707000 2.398000 
1 1 1   53   13   14 o   3.7440   1.1830   3.5330   1.6310   3.9560   1.7130 -0.4229000 2.365000 
1 1 1   53   13   15 o   3.4690   1.1290   3.0230   1.4730   3.9160   1.7110 -0.8927000 2.258000 
1 1 1   53   13   16 o   4.0300   1.2710   5.4320   2.1720   2.6290   1.3230 2.803000 2.543000 
1 1 1   53   13   17 o   4.1950   1.2290   2.9790   1.4750   5.4110   1.9660 -2.432000 2.458000 
1 1 1   53   13   18 o   2.8090   0.9805   3.1470   1.5250   2.4700   1.2330 0.6772000 1.961000 
1 1 1   53   13   19 o   2.4520   0.8746   2.6790   1.3390   2.2250   1.1260 0.4542000 1.749000 
1 1 1   53   13   20 f   2.5660   0.9050   2.5160   1.2680   2.6160   1.2910 -0.1002000 1.810000 
1 1 1   53   15    0 o   12.790   0.6203   12.860   0.7634   12.730   0.9779 0.1280000 1.241000 
1 1 1   53   15    1 o   9.8260   0.8505   9.1020   1.1630   10.550   1.2420 -1.447000 1.701000 
1 1 1   53   15    2 o   3.1380   0.9936   2.8870   1.3240   3.3880   1.4820 -0.5010000 1.987000 
1 1 1   53   15    3 o   3.4000   1.0410   3.4700   1.4640   3.3290   1.4810 0.1403000 2.082000 
1 1 1   53   15    4 o   6.8050   1.0220   7.3670   1.2780   6.2430   1.5960 1.124000 2.044000 
1 1 1   53   15    5 o   6.4140   1.1030   6.7210   1.4460   6.1070   1.6660 0.6134000 2.206000 
1 1 1   53   15    6 o   8.5800   0.8817   7.4160   1.3550   9.7430   1.1290 -2.327000 1.763000 
1 1 1   53   15    7 o   7.3680   1.0500   7.3950   1.4030   7.3410   1.5610 0.5423000E-01 2.099000 
1 1 1   53   15    8 o   4.6030   1.2130   3.9110   1.6270   5.2940   1.8010 -1.383000 2.426000 
1 1 1   53   15    9 o   10.950   0.7982   11.700   1.0640   10.200   1.1900 1.500000 1.596000 
1 1 1   53   15   10 o   7.2990   1.3400   9.0350   1.7480   5.5630   2.0300 3.471000 2.679000 
1 1 1   53   15   11 o   3.5110   1.1350   3.0120   1.4750   4.0090   1.7250 -0.9964000 2.269000 
1 1 1   53   15   12 o   7.0850   1.2470   7.2960   1.7070   6.8740   1.8180 0.4223000 2.494000 
1 1 1   53   15   13 o   6.9880   1.2700   6.4550   1.8200   7.5210   1.7710 -1.067000 2.539000 
1 1 1   53   15   14 o   5.1520   1.3090   6.0440   1.8990   4.2600   1.8010 1.784000 2.618000 
1 1 1   53   15   15 o   3.4870   1.1890   3.3590   1.6230   3.6150   1.7380 -0.2567000 2.378000 
1 1 1   53   15   16 o   4.4960   1.3140   4.2180   1.7770   4.7730   1.9380 -0.5555000 2.629000 
1 1 1   53   15   17 o   4.5170   1.2510   5.4640   1.9110   3.5710   1.6130 1.893000 2.501000 
1 1 1   53   15   18 o   3.5650   1.1220   2.8090   1.3690   4.3200   1.7760 -1.511000 2.243000 
1 1 1   53   15   19 o   2.4220   0.8562   2.6880   1.3180   2.1570   1.0930 0.5304000 1.712000 
1 1 1   53   17    0 o   4.0660   1.0340   5.2440   1.5760   2.8880   1.3390 2.356000 2.068000 
1 1 1   53   17    1 o   4.3560   1.1260   4.5940   1.5830   4.1190   1.6010 0.4751000 2.252000 
1 1 1   53   17    2 o   11.520   0.6091   11.300   0.8281   11.730   0.8934 -0.4297000 1.218000 
1 1 1   53   17    3 o   6.5610   1.0850   7.4020   1.3230   5.7210   1.7210 1.681000 2.170000 
1 1 1   53   17    4 o   4.1900   1.1650   4.1970   1.6200   4.1820   1.6750 0.1491000E-01 2.330000 
1 1 1   53   17    5 o   4.2240   1.0850   2.6830   1.2880   5.7640   1.7460 -3.081000 2.169000 
1 1 1   53   17    6 o   6.4790   1.1830   6.1630   1.6870   6.7950   1.6600 -0.6318000 2.367000 
1 1 1   53   17    7 o   9.0380   0.9336   10.360   1.0860   7.7140   1.5190 2.647000 1.867000 
1 1 1   53   17    8 o   4.6740   1.2520   4.3960   1.7220   4.9510   1.8180 -0.5552000 2.504000 
1 1 1   53   17    9 o   8.8210   1.2620   9.2520   1.6960   8.3890   1.8700 0.8630000 2.524000 
1 1 1   53   17   10 o   5.8320   1.2040   7.4830   1.6190   4.1800   1.7830 3.303000 2.408000 
1 1 1   53   17   11 o   3.2090   1.0710   3.3790   1.5760   3.0390   1.4520 0.3396000 2.143000 
1 1 1   53   17   12 o   3.1300   1.0590   3.3650   1.5700   2.8940   1.4210 0.4712000 2.117000 
1 1 1   53   17   13 o   4.1330   1.2230   5.2150   1.9450   3.0520   1.4820 2.163000 2.445000 
1 1 1   53   17   14 o   3.9930   1.2650   3.3890   1.6040   4.5970   1.9580 -1.208000 2.531000 
1 1 1   53   17   15 o   3.3650   1.1020   2.9260   1.4160   3.8050   1.6900 -0.8785000 2.204000 
1 1 1   53   17   16 o   3.1100   1.0410   3.4240   1.5710   2.7960   1.3660 0.6288000 2.082000 
1 1 1   53   17   17 o   2.3620   0.8390   2.2980   1.1570   2.4270   1.2150 -0.1296000 1.678000 
1 1 1   53   19    0 f   7.8910   0.9430   6.7600   1.4720   9.0220   1.1790 -2.262000 1.886000 
1 1 1   53   19    1 o   5.5070   1.1880   5.5130   1.6330   5.5010   1.7260 0.1178000E-01 2.376000 
1 1 1   53   19    2 o   10.110   0.7882   11.680   0.9197   8.5480   1.2800 3.128000 1.576000 
1 1 1   53   19    3 o   8.2670   0.9593   8.6230   1.2720   7.9110   1.4360 0.7121000 1.919000 
1 1 1   53   19    4 o   3.4660   1.0890   3.3990   1.5120   3.5330   1.5670 -0.1340000 2.178000 
1 1 1   53   19    5 o   3.5690   1.0930   4.1980   1.6810   2.9400   1.3970 1.258000 2.186000 
1 1 1   53   19    6 o   4.8450   1.2190   5.4530   1.7200   4.2370   1.7270 1.216000 2.438000 
1 1 1   53   19    7 o   5.1940   1.4210   5.0730   1.9940   5.3140   2.0240 -0.2412000 2.842000 
1 1 1   53   19    8 o   4.0060   1.2790   4.0190   1.8090   3.9930   1.8100 0.2629000E-01 2.559000 
1 1 1   53   19    9 o   2.9130   1.0030   2.6710   1.3210   3.1540   1.5100 -0.4834000 2.006000 
1 1 1   53   19   10 o   3.8660   1.2140   3.7740   1.6890   3.9580   1.7450 -0.1840000 2.428000 
1 1 1   53   19   11 o   3.3920   1.1000   3.9750   1.7200   2.8090   1.3720 1.165000 2.200000 
1 1 1   53   19   12 o   3.0990   1.0420   3.1660   1.4940   3.0330   1.4520 0.1328000 2.083000 
1 1 1   53   19   13 o   3.0960   1.0660   3.2400   1.5560   2.9520   1.4580 0.2879000 2.132000 
1 1 1   53   19   14 f   2.8890   0.9905   2.6860   1.3180   3.0920   1.4790 -0.4061000 1.981000 
1 1 1   53   19   15 o   2.1020   0.7576   1.9130   0.9796   2.2920   1.1560 -0.3793000 1.515000 
1 1 1   53   21    0 o   7.2880   1.0840   7.2770   1.5260   7.2980   1.5400 -0.2052000E-01 2.168000 
1 1 1   53   21    1 o   9.6300   0.8311   9.7970   1.1200   9.4620   1.2280 0.3354000 1.662000 
1 1 1   53   21    2 o   4.6230   1.1950   5.3930   1.7390   3.8540   1.6400 1.539000 2.390000 
1 1 1   53   21    3 o   3.3810   1.0710   3.1730   1.4610   3.5890   1.5660 -0.4165000 2.141000 
1 1 1   53   21    4 o   3.3130   1.0770   3.8040   1.6670   2.8220   1.3630 0.9825000 2.153000 
1 1 1   53   21    5 o   3.8960   1.2710   4.4980   1.9740   3.2950   1.6000 1.203000 2.541000 
1 1 1   53   21    6 o   5.1840   2.1180   5.1840   2.1180  ?   ?       ?      ? 
1 1 1   53   21    7 o   2.6020   0.9105   2.5330   1.2490   2.6710   1.3250 -0.1385000 1.821000 
1 1 1   53   21    8 o   4.4140   1.2790   5.0430   1.9320   3.7850   1.6780 1.258000 2.559000 
1 1 1   53   21    9 o   3.6010   1.1510   3.6520   1.6380   3.5490   1.6180 0.1029000 2.302000 
1 1 1   53   21   10 o   3.3920   1.1050   3.4090   1.5600   3.3750   1.5650 0.3374000E-01 2.210000 
1 1 1   53   21   11 o   3.1510   1.0770   3.2840   1.5670   3.0170   1.4780 0.2673000 2.154000 
1 1 1   53   21   12 o   2.5550   0.9090   2.5600   1.2860   2.5500   1.2850 0.9535000E-02 1.818000 
1 1 1   53   21   13 o   2.1680   0.7779   2.1660   1.0980   2.1710   1.1020 -0.5110000E-02 1.556000 
1 1 1   53   23    0 o   5.0040   1.2570   4.1620   1.7100   5.8460   1.8420 -1.684000 2.514000 
1 1 1   53   23    1 o   4.7520   1.1710   3.4190   1.5310   6.0860   1.7720 -2.667000 2.342000 
1 1 1   53   23    2 o   3.6920   1.1790   3.0470   1.4330   4.3380   1.8730 -1.291000 2.358000 
1 1 1   53   23    3 o   3.8420   1.2360   3.9270   1.7620   3.7570   1.7350 0.1695000 2.473000 
1 1 1   53   23    4 o   4.1950   1.2470   3.8610   1.7380   4.5300   1.7870 -0.6690000 2.493000 
1 1 1   53   23    5 o   3.3970   1.0970   3.5050   1.5700   3.2890   1.5330 0.2164000 2.194000 
1 1 1   53   23    6 o   3.1350   1.0350   2.5760   1.2630   3.6940   1.6400 -1.118000 2.070000 
1 1 1   53   23    7 o   3.1670   1.0440   2.5840   1.2690   3.7500   1.6580 -1.166000 2.088000 
1 1 1   53   23    8 o   2.9770   1.0080   2.6770   1.3100   3.2760   1.5320 -0.5994000 2.016000 
1 1 1   53   23    9 o   2.6970   0.9322   2.8960   1.3890   2.4970   1.2430 0.3990000 1.864000 
1 1 1   53   23   10 o   2.6510   0.9510   3.0860   1.5230   2.2160   1.1390 0.8693000 1.902000 
1 1 1   53   25    0 o   3.4150   1.1560   3.6090   1.6920   3.2210   1.5750 0.3889000 2.312000 
1 1 1   53   25    1 o   3.5580   1.0860   4.3010   1.6930   2.8150   1.3620 1.486000 2.172000 
1 1 1   53   25    2 o   4.9200   1.2100   3.6960   1.5980   6.1440   1.8160 -2.448000 2.419000 
1 1 1   53   25    3 o   2.9060   0.9922   2.9810   1.4280   2.8310   1.3770 0.1501000 1.984000 
1 1 1   53   25    4 o   2.5840   0.8984   2.7850   1.3450   2.3830   1.1910 0.4015000 1.797000 
1 1 1   53   25    5 f   2.3970   0.8518   2.2830   1.1530   2.5110   1.2540 -0.2287000 1.704000 
1 1 1   54    0    0 o   25.950   0.5905   25.950   0.5905   25.950   0.5905 -0.000000 0.000000 
1 1 1   54    0    1 o   26.290   0.6612   26.290   0.6612   26.290   0.6612 0.000000 0.000000 
1 1 1   54    0    2 o   4.7940   1.9040   4.7940   1.9040   4.7940   1.9040 0.000000 0.000000 
1 1 1   54    0    3 o   10.210   0.8943   10.210   0.8943   10.210   0.8943 -0.000000 0.000000 
1 1 1   54    0    4 o   25.150   0.4524   25.150   0.4524   25.150   0.4524 -0.000000 0.000000 
1 1 1   54    0    5 f   13.130   0.7294   13.130   0.7294   13.130   0.7294 -0.000000 0.000000 
1 1 1   54    0    6 o   9.2530   1.0270   9.2530   1.0270   9.2530   1.0270 -0.000000 0.000000 
1 1 1   54    0    7 o   4.8540   1.9940   4.8540   1.9940   4.8540   1.9940 0.000000 0.000000 
1 1 1   54    0    8 o   11.300   0.9084   11.300   0.9084   11.300   0.9084 -0.000000 0.000000 
1 1 1   54    0    9 o   12.910   0.8168   12.910   0.8168   12.910   0.8168 0.000000 0.000000 
1 1 1   54    0   10 o   15.820   0.8366   15.820   0.8366   15.820   0.8366 0.000000 0.000000 
1 1 1   54    0   11 o   2.8960   1.8790   2.8960   1.8790   2.8960   1.8790 -0.000000 0.000000 
1 1 1   54    0   12 o   1.4720   1.0820   1.4720   1.0820   1.4720   1.0820 -0.000000 0.000000 
1 1 1   54    0   13 o   4.7150   2.1930   4.7150   2.1930   4.7150   2.1930 0.000000 0.000000 
1 1 1   54    0   14 o   9.8740   1.2780   9.8740   1.2780   9.8740   1.2780 0.000000 0.000000 
1 1 1   54    0   15 o   3.5870   2.3220   3.5870   2.3220   3.5870   2.3220 -0.000000 0.000000 
1 1 1   54    0   16 o   10.830   1.9380   10.830   1.9380   10.830   1.9380 0.000000 0.000000 
1 1 1   54    0   17 o   2.3920   1.6420   2.3920   1.6420   2.3920   1.6420 0.000000 0.000000 
1 1 1   54    0   18 o   6.1870   2.2730   6.1870   2.2730   6.1870   2.2730 -0.000000 0.000000 
1 1 1   54    0   19 o   2.1860   1.5360   2.1860   1.5360   2.1860   1.5360 -0.000000 0.000000 
1 1 1   54    0   20 o   2.8350   1.8610   2.8350   1.8610   2.8350   1.8610 -0.000000 0.000000 
1 1 1   54    0   21 o   3.4990   2.0970   3.4990   2.0970   3.4990   2.0970 0.000000 0.000000 
1 1 1   54    0   22 o   3.1320   1.9720   3.1320   1.9720   3.1320   1.9720 -0.000000 0.000000 
1 1 1   54    0   23 o   1.9580   1.4360   1.9580   1.4360   1.9580   1.4360 -0.000000 0.000000 
1 1 1   54    2    0 o   15.900   0.3968   15.500   0.5457   16.300   0.5763 -0.7916000 0.7937000 
1 1 1   54    2    1 o   17.700   0.3588   18.320   0.4976   17.080   0.5171 1.242000 0.7176000 
1 1 1   54    2    2 o   8.7300   0.9446   7.9220   1.3750   9.5380   1.2950 -1.616000 1.889000 
1 1 1   54    2    3 o   6.4380   1.2050   7.0980   1.5560   5.7780   1.8410 1.319000 2.410000 
1 1 1   54    2    4 o   8.8420   0.7323   9.5040   0.9724   8.1810   1.0950 1.322000 1.465000 
1 1 1   54    2    5 o   15.990   0.4377   15.670   0.6379   16.320   0.5995 -0.6566000 0.8754000 
1 1 1   54    2    6 o   7.9830   0.8824   9.0100   1.0910   6.9550   1.3870 2.055000 1.765000 
1 1 1   54    2    7 o   8.4250   0.8416   7.7860   1.2990   9.0640   1.0700 -1.278000 1.683000 
1 1 1   54    2    8 o   12.430   0.5708   12.770   0.7969   12.100   0.8174 0.6720000 1.142000 
1 1 1   54    2    9 o   6.9670   1.1160   7.4940   1.4820   6.4390   1.6680 1.055000 2.231000 
1 1 1   54    2   10 o   9.6270   0.8467   9.5430   1.2030   9.7120   1.1910 -0.1697000 1.693000 
1 1 1   54    2   11 o   5.3840   1.2940   5.7640   1.8460   5.0040   1.8130 0.7605000 2.587000 
1 1 1   54    2   12 o   5.1140   1.2410   4.3160   1.7920   5.9110   1.7190 -1.595000 2.483000 
1 1 1   54    2   13 o   4.2450   1.2060   3.8890   1.6600   4.6020   1.7500 -0.7132000 2.412000 
1 1 1   54    2   14 o   6.3910   1.2600   6.5820   1.7530   6.1990   1.8090 0.3836000 2.519000 
1 1 1   54    2   15 o   4.3010   1.2270   3.0000   1.4690   5.6030   1.9650 -2.603000 2.454000 
1 1 1   54    2   16 o   4.8500   1.3100   3.4100   1.5920   6.2900   2.0820 -2.880000 2.621000 
1 1 1   54    2   17 o   8.3330   1.1150   8.9110   1.4510   7.7550   1.6930 1.156000 2.230000 
1 1 1   54    2   18 o   4.6210   1.2760   3.8570   1.6870   5.3860   1.9150 -1.530000 2.552000 
1 1 1   54    2   19 o   3.5950   1.1450   2.9410   1.4220   4.2480   1.7940 -1.307000 2.290000 
1 1 1   54    2   20 o   3.7510   1.1770   3.2150   1.5180   4.2870   1.7980 -1.072000 2.353000 
1 1 1   54    2   21 o   3.2300   1.0690   2.7020   1.3310   3.7590   1.6730 -1.057000 2.138000 
1 1 1   54    2   22 o   3.4430   1.1260   3.4100   1.5860   3.4750   1.5990 -0.6496000E-01 2.252000 
1 1 1   54    2   23 o   2.3110   0.8322   2.1440   1.0980   2.4770   1.2510 -0.3335000 1.664000 
1 1 1   54    4    0 o   24.410   0.2842   24.220   0.3974   24.600   0.4063 -0.3754000 0.5684000 
1 1 1   54    4    1 o   16.960   0.3566   16.500   0.5155   17.430   0.4928 -0.9357000 0.7132000 
1 1 1   54    4    2 o   2.2370   0.7715   2.2020   1.0790   2.2720   1.1030 -0.6920000E-01 1.543000 
1 1 1   54    4    3 o   19.710   0.4668   20.120   0.6132   19.300   0.7040 0.8274000 0.9336000 
1 1 1   54    4    4 o   16.730   0.5424   16.890   0.7132   16.570   0.8174 0.3151000 1.085000 
1 1 1   54    4    5 o   6.7350   0.9964   5.9730   1.5560   7.4960   1.2440 -1.523000 1.993000 
1 1 1   54    4    6 o   4.2770   1.1280   4.0210   1.5940   4.5320   1.5970 -0.5119000 2.256000 
1 1 1   54    4    7 f   12.920   0.5350   12.490   0.7799   13.360   0.7327 -0.8697000 1.070000 
1 1 1   54    4    8 o   8.1640   0.9818   9.6630   1.1270   6.6660   1.6080 2.997000 1.964000 
1 1 1   54    4    9 o   9.5350   0.7900   8.6140   1.1900   10.460   1.0390 -1.842000 1.580000 
1 1 1   54    4   10 o   7.8550   0.9955   9.3400   1.1600   6.3690   1.6180 2.971000 1.991000 
1 1 1   54    4   11 o   4.5100   1.2160   4.4380   1.7210   4.5810   1.7190 -0.1428000 2.432000 
1 1 1   54    4   12 o   8.6080   1.1060   9.4900   1.4510   7.7250   1.6690 1.766000 2.212000 
1 1 1   54    4   13 o   4.3120   1.2250   4.6020   1.7690   4.0220   1.6960 0.5792000 2.451000 
1 1 1   54    4   14 o   6.1930   1.3170   7.5730   1.8630   4.8120   1.8620 2.761000 2.634000 
1 1 1   54    4   15 o   3.3630   1.0900   3.3680   1.5400   3.3580   1.5430 0.1014000E-01 2.180000 
1 1 1   54    4   16 o   3.6560   1.1970   3.3340   1.5700   3.9780   1.8080 -0.6438000 2.395000 
1 1 1   54    4   17 o   5.3480   1.2620   6.7630   1.8430   3.9340   1.7250 2.829000 2.524000 
1 1 1   54    4   18 o   7.3860   1.2460   6.1370   1.9020   8.6350   1.6100 -2.498000 2.492000 
1 1 1   54    4   19 o   3.2040   1.0720   3.5120   1.6100   2.8970   1.4160 0.6153000 2.144000 
1 1 1   54    4   20 o   3.7780   1.1670   4.6390   1.8520   2.9160   1.4210 1.724000 2.334000 
1 1 1   54    4   21 o   4.1010   1.2410   4.2550   1.7840   3.9470   1.7250 0.3075000 2.482000 
1 1 1   54    4   22 o   2.9750   1.0290   3.1830   1.5380   2.7670   1.3690 0.4153000 2.059000 
1 1 1   54    4   23 o   2.3560   0.8396   2.1400   1.0890   2.5710   1.2780 -0.4311000 1.679000 
1 1 1   54    6    0 o   10.820   0.5227   10.340   0.8001   11.290   0.6728 -0.9507000 1.045000 
1 1 1   54    6    1 o   9.8700   0.5327   9.5390   0.7940   10.200   0.7104 -0.6619000 1.065000 
1 1 1   54    6    2 o   12.080   0.4809   11.730   0.6808   12.430   0.6795 -0.6913000 0.9619000 
1 1 1   54    6    3 o   6.9490   0.8948   5.7180   1.4310   8.1810   1.0740 -2.463000 1.790000 
1 1 1   54    6    4 o   6.3910   1.1830   4.4450   1.7270   8.3360   1.6160 -3.891000 2.365000 
1 1 1   54    6    5 o   11.020   0.6033   11.630   0.8098   10.410   0.8946 1.215000 1.207000 
1 1 1   54    6    6 o   13.780   0.5377   13.640   0.7691   13.930   0.7517 -0.2921000 1.075000 
1 1 1   54    6    7 f   9.0060   0.8415   8.3140   1.2750   9.6970   1.0980 -1.383000 1.683000 
1 1 1   54    6    8 o   5.3110   1.0940   3.9380   1.5950   6.6830   1.4970 -2.746000 2.187000 
1 1 1   54    6    9 o   2.6430   0.8995   2.6040   1.2560   2.6830   1.2880 -0.7917000E-01 1.799000 
1 1 1   54    6   10 o   2.9760   0.9808   2.5880   1.2610   3.3650   1.5030 -0.7772000 1.962000 
1 1 1   54    6   11 o   3.0320   0.9965   2.5480   1.2500   3.5160   1.5520 -0.9681000 1.993000 
1 1 1   54    6   12 o   5.6360   1.4640   6.8610   2.2460   4.4100   1.8780 2.450000 2.927000 
1 1 1   54    6   13 o   5.4300   1.3760   5.9500   1.9980   4.9100   1.8940 1.040000 2.753000 
1 1 1   54    6   14 f   4.3780   1.2380   4.4100   1.7470   4.3460   1.7540 0.6358000E-01 2.475000 
1 1 1   54    6   15 o   3.3640   1.0930   3.4270   1.5560   3.3010   1.5370 0.1253000 2.187000 
1 1 1   54    6   16 o   5.8120   1.4560   5.6660   1.9860   5.9590   2.1290 -0.2933000 2.911000 
1 1 1   54    6   17 o   3.2130   1.0960   3.2560   1.5550   3.1690   1.5470 0.8756000E-01 2.193000 
1 1 1   54    6   18 o   3.1930   1.0560   2.5550   1.2670   3.8300   1.6900 -1.275000 2.112000 
1 1 1   54    6   19 o   3.6370   1.1270   4.5500   1.8130   2.7250   1.3380 1.825000 2.254000 
1 1 1   54    6   20 o   3.1750   1.0630   3.2290   1.5160   3.1210   1.4890 0.1079000 2.125000 
1 1 1   54    6   21 o   3.0940   1.0580   3.2090   1.5400   2.9800   1.4510 0.2290000 2.116000 
1 1 1   54    6   22 o   2.7340   0.9588   2.8270   1.3920   2.6410   1.3180 0.1862000 1.918000 
1 1 1   54    6   23 o   2.8630   1.0190   2.4440   1.2480   3.2810   1.6120 -0.8363000 2.039000 
1 1 1   54    8    0 o   11.400   0.5410   10.630   0.8343   12.170   0.6890 -1.543000 1.082000 
1 1 1   54    8    1 o   15.400   0.3704   15.550   0.5172   15.250   0.5303 0.2965000 0.7408000 
1 1 1   54    8    2 o   14.130   0.4208   13.780   0.6025   14.480   0.5875 -0.6946000 0.8415000 
1 1 1   54    8    3 o   14.980   0.4435   15.190   0.6102   14.770   0.6438 0.4159000 0.8870000 
1 1 1   54    8    4 o   13.080   0.7892   14.400   0.8823   11.750   1.3090 2.658000 1.578000 
1 1 1   54    8    5 o   6.0190   1.0690   6.4400   1.4570   5.5990   1.5650 0.8410000 2.138000 
1 1 1   54    8    6 o   5.2360   1.1460   4.9240   1.6350   5.5490   1.6060 -0.6244000 2.292000 
1 1 1   54    8    7 o   7.3470   0.9911   7.5940   1.3690   7.0990   1.4340 0.4951000 1.982000 
1 1 1   54    8    8 o   8.7040   0.8338   8.5970   1.1950   8.8100   1.1640 -0.2124000 1.668000 
1 1 1   54    8    9 o   8.2610   0.9162   8.9410   1.1660   7.5810   1.4140 1.360000 1.832000 
1 1 1   54    8   10 o   4.4530   1.2230   5.0410   1.8340   3.8660   1.6180 1.175000 2.446000 
1 1 1   54    8   11 o   3.7050   1.1590   3.8120   1.6820   3.5980   1.5960 0.2135000 2.318000 
1 1 1   54    8   12 o   4.0810   1.2400   3.5520   1.6430   4.6090   1.8570 -1.057000 2.480000 
1 1 1   54    8   13 o   9.5990   0.8914   8.6510   1.3630   10.550   1.1490 -1.897000 1.783000 
1 1 1   54    8   14 o   5.1430   1.2520   6.0830   1.7840   4.2030   1.7560 1.880000 2.504000 
1 1 1   54    8   15 o   5.0870   1.3080   4.7710   1.8050   5.4030   1.8950 -0.6317000 2.617000 
1 1 1   54    8   16 o   7.3120   1.3420   8.6390   1.6580   5.9850   2.1090 2.654000 2.683000 
1 1 1   54    8   17 o   4.5330   1.3140   5.3780   1.9930   3.6880   1.7120 1.690000 2.628000 
1 1 1   54    8   18 o   4.5030   1.2560   3.7130   1.6640   5.2930   1.8830 -1.580000 2.513000 
1 1 1   54    8   19 o   4.0330   1.2090   4.7840   1.8680   3.2820   1.5350 1.502000 2.418000 
1 1 1   54    8   20 o   2.8670   0.9970   3.0100   1.4690   2.7230   1.3490 0.2875000 1.994000 
1 1 1   54    8   21 o   3.0370   1.0560   2.7960   1.3820   3.2790   1.5960 -0.4831000 2.111000 
1 1 1   54    8   22 o   2.8550   0.9818   2.8730   1.3950   2.8360   1.3820 0.3684000E-01 1.964000 
1 1 1   54   10    0 o   14.600   0.5176   14.130   0.8659   15.080   0.5673 -0.9575000 1.035000 
1 1 1   54   10    1 o   4.5910   1.0600   5.0580   1.4630   4.1230   1.5340 0.9347000 2.119000 
1 1 1   54   10    2 o   15.270   0.4070   15.590   0.5479   14.950   0.6019 0.6394000 0.8140000 
1 1 1   54   10    3 o   4.0460   0.9847   2.7310   1.2630   5.3600   1.5110 -2.629000 1.969000 
1 1 1   54   10    4 o   6.2600   1.2060   4.9330   1.7260   7.5860   1.6830 -2.653000 2.411000 
1 1 1   54   10    5 o   18.400   0.3898   18.470   0.5465   18.330   0.5560 0.1384000 0.7796000 
1 1 1   54   10    6 o   11.770   0.6117   11.920   0.8730   11.620   0.8571 0.3042000 1.223000 
1 1 1   54   10    7 o   5.4550   1.0630   3.8760   1.5890   7.0340   1.4120 -3.158000 2.125000 
1 1 1   54   10    8 o   9.2560   0.8957   8.5060   1.3840   10.010   1.1370 -1.501000 1.791000 
1 1 1   54   10    9 o   7.5040   1.1260   6.2580   1.7940   8.7490   1.3600 -2.491000 2.251000 
1 1 1   54   10   10 o   8.8060   0.9101   8.5440   1.3400   9.0680   1.2320 -0.5242000 1.820000 
1 1 1   54   10   11 o   10.220   0.8045   9.9930   1.1580   10.460   1.1170 -0.4621000 1.609000 
1 1 1   54   10   12 o   5.5960   1.3980   6.1160   2.0260   5.0760   1.9270 1.041000 2.796000 
1 1 1   54   10   13 o   7.7520   1.1120   8.8430   1.3510   6.6610   1.7660 2.183000 2.223000 
1 1 1   54   10   14 o   3.1820   1.0530   3.0490   1.4410   3.3160   1.5380 -0.2673000 2.107000 
1 1 1   54   10   15 o   5.9160   1.2800   4.8210   1.8320   7.0110   1.7890 -2.190000 2.561000 
1 1 1   54   10   16 o   5.6430   1.3410   7.1140   1.9300   4.1730   1.8630 2.942000 2.682000 
1 1 1   54   10   17 o   3.2270   1.0700   3.4630   1.5850   2.9920   1.4370 0.4714000 2.139000 
1 1 1   54   10   18 o   3.9060   1.2050   4.1290   1.7580   3.6830   1.6480 0.4459000 2.410000 
1 1 1   54   10   19 o   2.8380   0.9870   2.8350   1.3990   2.8400   1.3930 -0.4987000E-02 1.974000 
1 1 1   54   10   20 o   3.2900   1.0900   3.5330   1.6210   3.0460   1.4580 0.4865000 2.180000 
1 1 1   54   10   21 o   2.5340   0.8921   2.8730   1.3960   2.1950   1.1110 0.6777000 1.784000 
1 1 1   54   12    0 o   12.700   0.4614   12.710   0.6236   12.690   0.6802 0.1337000E-01 0.9228000 
1 1 1   54   12    1 o   13.700   0.4518   13.140   0.6313   14.260   0.6464 -1.117000 0.9035000 
1 1 1   54   12    2 o   10.770   0.5905   11.630   0.7260   9.9150   0.9315 1.713000 1.181000 
1 1 1   54   12    3 o   12.720   0.6509   13.790   0.7560   11.640   1.0600 2.145000 1.302000 
1 1 1   54   12    4 o   7.2880   0.9361   8.0410   1.1340   6.5350   1.4900 1.506000 1.872000 
1 1 1   54   12    5 o   5.2540   1.1760   4.6160   1.6540   5.8930   1.6710 -1.277000 2.351000 
1 1 1   54   12    6 o   7.3170   1.0470   6.9760   1.4940   7.6570   1.4680 -0.6802000 2.095000 
1 1 1   54   12    7 o   3.4190   1.0920   3.6820   1.6170   3.1570   1.4660 0.5253000 2.183000 
1 1 1   54   12    8 f   4.1580   1.1830   3.9880   1.6300   4.3280   1.7140 -0.3401000 2.365000 
1 1 1   54   12    9 o   6.1040   1.1450   7.5240   1.4620   4.6850   1.7630 2.839000 2.291000 
1 1 1   54   12   10 o   7.7240   1.0780   8.7280   1.2970   6.7200   1.7210 2.008000 2.155000 
1 1 1   54   12   11 o   5.5980   1.4040   5.1400   1.9910   6.0570   1.9800 -0.9167000 2.808000 
1 1 1   54   12   12 o   2.9960   1.0270   2.9740   1.4610   3.0180   1.4430 -0.4416000E-01 2.053000 
1 1 1   54   12   13 o   4.3470   1.2460   3.2680   1.5330   5.4260   1.9650 -2.157000 2.492000 
1 1 1   54   12   14 o   3.9140   1.2140   3.8200   1.7000   4.0090   1.7320 -0.1887000 2.427000 
1 1 1   54   12   15 o   5.4380   1.3070   4.3880   1.8490   6.4880   1.8490 -2.101000 2.615000 
1 1 1   54   12   16 o   4.1800   1.3150   4.4030   1.9290   3.9580   1.7880 0.4453000 2.630000 
1 1 1   54   12   17 o   4.5830   1.3190   5.0950   1.9400   4.0720   1.7880 1.023000 2.638000 
1 1 1   54   12   18 o   2.7260   0.9546   2.2430   1.1400   3.2090   1.5310 -0.9654000 1.909000 
1 1 1   54   12   19 o   3.1500   1.0610   3.1160   1.5030   3.1830   1.4970 -0.6645000E-01 2.121000 
1 1 1   54   12   20 o   2.8890   0.9972   3.0700   1.4860   2.7080   1.3300 0.3618000 1.994000 
1 1 1   54   14    0 o   3.3140   0.9999   3.7420   1.4940   2.8870   1.3300 0.8554000 2.000000 
1 1 1   54   14    1 f   5.7940   1.0410   4.3760   1.6150   7.2110   1.3140 -2.835000 2.082000 
1 1 1   54   14    2 o   6.5450   1.2580   7.1300   1.6300   5.9590   1.9180 1.171000 2.517000 
1 1 1   54   14    3 o   8.0670   0.9107   7.5900   1.3510   8.5440   1.2220 -0.9545000 1.821000 
1 1 1   54   14    4 o   3.6050   1.0940   3.7400   1.5830   3.4700   1.5110 0.2707000 2.188000 
1 1 1   54   14    5 o   10.970   0.7031   11.610   0.9735   10.320   1.0150 1.296000 1.406000 
1 1 1   54   14    6 f   5.2820   1.2360   5.1280   1.7530   5.4350   1.7410 -0.3076000 2.471000 
1 1 1   54   14    7 o   4.6820   1.2140   3.9140   1.6650   5.4500   1.7670 -1.536000 2.428000 
1 1 1   54   14    8 f   4.4480   1.2330   5.1080   1.8460   3.7880   1.6350 1.321000 2.466000 
1 1 1   54   14    9 o   6.4310   1.0990   3.9670   1.7340   8.8950   1.3510 -4.927000 2.199000 
1 1 1   54   14   10 o   4.8480   1.3440   4.9640   1.9140   4.7330   1.8880 0.2308000 2.689000 
1 1 1   54   14   11 o   3.9600   1.3180   4.1880   1.9980   3.7320   1.7190 0.4565000 2.636000 
1 1 1   54   14   12 o   3.7630   1.2030   4.0420   1.7990   3.4840   1.5980 0.5587000 2.406000 
1 1 1   54   14   13 o   4.3750   1.3000   4.3930   1.8850   4.3580   1.7900 0.3417000E-01 2.600000 
1 1 1   54   14   14 o   3.3950   1.1340   4.0180   1.8170   2.7720   1.3580 1.246000 2.269000 
1 1 1   54   14   15 f   3.5650   1.2160   3.6460   1.7800   3.4840   1.6580 0.1620000 2.433000 
1 1 1   54   14   16 o   3.5220   1.1900   3.3620   1.6730   3.6820   1.6940 -0.3196000 2.380000 
1 1 1   54   14   17 o   3.2860   1.1170   3.6520   1.7340   2.9200   1.4070 0.7326000 2.234000 
1 1 1   54   14   18 o   2.3990   0.8639   2.6720   1.3490   2.1270   1.0800 0.5446000 1.728000 
1 1 1   54   14   19 o   2.5410   0.8986   2.4340   1.2390   2.6490   1.3020 -0.2141000 1.797000 
1 1 1   54   16    0 o   11.820   0.7213   13.010   0.9029   10.630   1.1250 2.377000 1.443000 
1 1 1   54   16    1 o   8.3650   0.9246   9.1540   1.3500   7.5760   1.2640 1.578000 1.849000 
1 1 1   54   16    2 o   9.9080   0.7612   9.2160   1.2010   10.600   0.9351 -1.384000 1.522000 
1 1 1   54   16    3 o   12.380   0.6342   12.840   0.9026   11.920   0.8911 0.9170000 1.268000 
1 1 1   54   16    4 o   14.770   0.5376   14.610   0.7664   14.930   0.7541 -0.3197000 1.075000 
1 1 1   54   16    5 o   15.070   0.5422   15.290   0.7623   14.840   0.7714 0.4461000 1.084000 
1 1 1   54   16    6 o   3.1290   1.0210   2.8160   1.3400   3.4430   1.5420 -0.6271000 2.043000 
1 1 1   54   16    7 o   7.5480   1.0900   7.7160   1.4760   7.3790   1.6040 0.3372000 2.179000 
1 1 1   54   16    8 o   5.3320   1.2290   4.1930   1.7130   6.4700   1.7630 -2.277000 2.458000 
1 1 1   54   16    9 f   6.1350   1.3220   4.7820   1.7730   7.4890   1.9630 -2.706000 2.645000 
1 1 1   54   16   10 o   4.0500   1.3010   4.2490   1.9210   3.8520   1.7540 0.3974000 2.601000 
1 1 1   54   16   11 o   3.2500   1.0620   3.5950   1.5910   2.9060   1.4060 0.6889000 2.123000 
1 1 1   54   16   12 o   3.4340   1.1100   2.8770   1.3860   3.9910   1.7350 -1.114000 2.221000 
1 1 1   54   16   13 o   2.8830   0.9990   2.6450   1.3150   3.1210   1.5040 -0.4766000 1.998000 
1 1 1   54   16   14 o   3.2560   1.1200   2.8210   1.3890   3.6920   1.7570 -0.8703000 2.240000 
1 1 1   54   16   15 o   2.9980   1.0390   3.2510   1.5600   2.7450   1.3720 0.5061000 2.077000 
1 1 1   54   16   16 o   2.8880   0.9835   2.2480   1.1380   3.5290   1.6050 -1.281000 1.967000 
1 1 1   54   16   17 o   2.4140   0.8564   2.7760   1.3560   2.0520   1.0470 0.7244000 1.713000 
1 1 1   54   16   18 o   2.0320   0.7477   2.0770   1.0800   1.9860   1.0340 0.9052000E-01 1.495000 
1 1 1   54   18    0 o   5.4330   1.1620   5.2540   1.6300   5.6110   1.6560 -0.3576000 2.323000 
1 1 1   54   18    1 f   4.4970   1.1490   5.0800   1.6280   3.9150   1.6230 1.164000 2.299000 
1 1 1   54   18    2 o   5.2970   1.1510   4.3110   1.6270   6.2830   1.6280 -1.971000 2.302000 
1 1 1   54   18    3 o   4.3480   1.1750   4.3870   1.6540   4.3100   1.6690 0.7721000E-01 2.350000 
1 1 1   54   18    4 o   8.1580   0.9766   9.3860   1.1460   6.9290   1.5820 2.456000 1.953000 
1 1 1   54   18    5 o   3.2680   1.0520   3.1680   1.4530   3.3670   1.5210 -0.1991000 2.104000 
1 1 1   54   18    6 o   5.6260   1.2110   4.5690   1.7220   6.6830   1.7030 -2.114000 2.422000 
1 1 1   54   18    7 f   2.7530   0.9450   2.9780   1.4020   2.5280   1.2670 0.4504000 1.890000 
1 1 1   54   18    8 o   5.7010   1.4510   5.5990   2.0520   5.8020   2.0530 -0.2033000 2.903000 
1 1 1   54   18    9 o   4.4000   1.3250   3.7230   1.7200   5.0770   2.0150 -1.354000 2.649000 
1 1 1   54   18   10 o   3.9610   1.2190   4.3560   1.8000   3.5650   1.6450 0.7909000 2.438000 
1 1 1   54   18   11 o   3.8600   1.2180   3.7510   1.6910   3.9690   1.7540 -0.2183000 2.436000 
1 1 1   54   18   12 o   3.9200   1.2270   3.6040   1.6440   4.2370   1.8210 -0.6333000 2.453000 
1 1 1   54   18   13 o   2.7770   0.9724   2.4890   1.2400   3.0660   1.4980 -0.5768000 1.945000 
1 1 1   54   18   14 o   2.8610   1.0020   2.8280   1.3990   2.8940   1.4350 -0.6563000E-01 2.004000 
1 1 1   54   18   15 o   2.5600   0.8967   2.6380   1.2980   2.4820   1.2380 0.1560000 1.793000 
1 1 1   54   18   16 o   2.2770   0.8237   2.1170   1.0740   2.4370   1.2490 -0.3203000 1.647000 
1 1 1   54   20    0 o   3.7060   1.0960   4.3500   1.6700   3.0620   1.4180 1.288000 2.191000 
1 1 1   54   20    1 o   7.5210   1.0160   6.7190   1.5650   8.3240   1.2970 -1.605000 2.033000 
1 1 1   54   20    2 o   7.2310   1.0730   6.8830   1.5460   7.5790   1.4880 -0.6960000 2.146000 
1 1 1   54   20    3 o   7.8090   1.0130   8.5420   1.2970   7.0760   1.5550 1.465000 2.025000 
1 1 1   54   20    4 o   7.3370   1.0840   6.8580   1.5830   7.8150   1.4820 -0.9565000 2.168000 
1 1 1   54   20    5 o   2.6430   0.9117   2.3290   1.1600   2.9560   1.4070 -0.6266000 1.823000 
1 1 1   54   20    6 o   4.8110   1.3820   4.0340   1.7090   5.5890   2.1710 -1.555000 2.763000 
1 1 1   54   20    7 o   3.3760   1.1640   3.8330   1.8080   2.9190   1.4660 0.9142000 2.328000 
1 1 1   54   20    8 o   7.6780   1.2700   7.2190   1.8040   8.1380   1.7870 -0.9191000 2.539000 
1 1 1   54   20    9 o   3.6860   1.1650   3.5370   1.6010   3.8350   1.6930 -0.2973000 2.330000 
1 1 1   54   20   10 o   2.6780   0.9323   2.7540   1.3480   2.6010   1.2880 0.1527000 1.865000 
1 1 1   54   20   11 o   3.9390   1.1440   5.0920   1.8400   2.7870   1.3610 2.306000 2.289000 
1 1 1   54   20   12 o   2.5910   0.9201   2.6840   1.3390   2.4990   1.2630 0.1849000 1.840000 
1 1 1   54   20   13 o   3.3630   1.1320   3.1000   1.5060   3.6250   1.6890 -0.5253000 2.263000 
1 1 1   54   20   14 o   1.9310   0.7087   1.9960   1.0320   1.8660   0.9721 0.1308000 1.417000 
1 1 1   54   22    0 o   7.9180   1.1060   6.0130   1.8160   9.8230   1.2610 -3.809000 2.211000 
1 1 1   54   22    1 o   7.2740   1.2040   7.6650   1.6090   6.8820   1.7920 0.7834000 2.408000 
1 1 1   54   22    2 o   7.2500   1.1540   5.8870   1.8330   8.6120   1.4030 -2.726000 2.309000 
1 1 1   54   22    3 o   4.2010   1.2350   4.4510   1.7860   3.9520   1.7060 0.4985000 2.470000 
1 1 1   54   22    4 o   5.9700   1.4280   5.3830   1.9970   6.5570   2.0410 -1.174000 2.855000 
1 1 1   54   22    5 f   3.5350   1.1680   3.4530   1.6210   3.6170   1.6820 -0.1635000 2.336000 
1 1 1   54   22    6 o   4.2340   1.2270   4.2020   1.6980   4.2660   1.7710 -0.6384000E-01 2.453000 
1 1 1   54   22    7 o   2.7600   0.9527   2.5180   1.2470   3.0020   1.4410 -0.4845000 1.905000 
1 1 1   54   22    8 o   3.4120   1.0870   3.9800   1.6770   2.8440   1.3820 1.136000 2.173000 
1 1 1   54   22    9 o   3.8620   1.1900   3.7320   1.6450   3.9920   1.7190 -0.2602000 2.379000 
1 1 1   54   22   10 o   2.2480   0.8033   2.0670   1.0520   2.4290   1.2150 -0.3618000 1.607000 
1 1 1   54   22   11 o   2.8210   1.0070   2.7900   1.4040   2.8530   1.4440 -0.6322000E-01 2.013000 
1 1 1   54   24    0 o   5.4490   1.7280   5.4490   1.7280  ?   ?       ?      ? 
1 1 1   54   24    1 o   3.4540   1.1370   3.9510   1.7540   2.9570   1.4480 0.9939000 2.274000 
1 1 1   54   24    2 o   3.6400   1.1780   4.2580   1.8360   3.0220   1.4770 1.236000 2.356000 
1 1 1   54   24    3 o   3.4390   1.1200   4.1200   1.7910   2.7580   1.3450 1.362000 2.240000 
1 1 1   54   24    4 o   2.4810   0.8688   2.5380   1.2490   2.4230   1.2080 0.1146000 1.738000 
1 1 1   54   24    5 o   3.2600   1.0570   3.4900   1.5470   3.0300   1.4400 0.4600000 2.114000 
1 1 1   54   24    6 o   2.1780   0.7762   2.3130   1.1530   2.0420   1.0390 0.2713000 1.552000 
1 1 1   54   24    7 f   1.9690   0.7221   1.8380   0.9456   2.0990   1.0920 -0.2607000 1.444000 
1 1 1   54   26    0 o   1.8260   0.9483   1.8260   0.9483  ?   ?       ?      ? 
1 1 1   55    1    0 o   13.040   0.5109   12.520   0.7923   13.550   0.6451 -1.038000 1.022000 
1 1 1   55    1    1 o   8.0030   0.9603   8.0240   1.2070   7.9820   1.4940 0.4213000E-01 1.921000 
1 1 1   55    1    2 o   4.0240   1.1590   3.3410   1.4860   4.7070   1.7780 -1.366000 2.317000 
1 1 1   55    1    3 o   9.6290   0.6562   9.3730   0.9670   9.8840   0.8873 -0.5104000 1.312000 
1 1 1   55    1    4 o   16.440   0.4139   16.020   0.6069   16.870   0.5630 -0.8483000 0.8278000 
1 1 1   55    1    5 o   12.140   0.5631   12.040   0.8092   12.230   0.7832 -0.1888000 1.126000 
1 1 1   55    1    6 o   2.6900   0.9018   2.4690   1.1990   2.9110   1.3480 -0.4423000 1.804000 
1 1 1   55    1    7 o   9.5550   0.7426   9.0000   1.1090   10.110   0.9880 -1.110000 1.485000 
1 1 1   55    1    8 o   7.4620   0.9888   5.9070   1.6280   9.0180   1.1230 -3.111000 1.978000 
1 1 1   55    1    9 o   10.050   0.7466   10.070   1.0460   10.030   1.0660 0.4017000E-01 1.493000 
1 1 1   55    1   10 o   4.2250   1.2170   4.7140   1.8060   3.7360   1.6320 0.9777000 2.434000 
1 1 1   55    1   11 o   4.3970   1.2170   5.2840   1.8500   3.5100   1.5820 1.775000 2.434000 
1 1 1   55    1   12 o   3.5090   1.1060   3.1910   1.4850   3.8280   1.6400 -0.6369000 2.213000 
1 1 1   55    1   13 o   5.9350   1.2640   5.6010   1.8110   6.2700   1.7650 -0.6695000 2.529000 
1 1 1   55    1   14 o   6.0290   1.1210   8.1360   1.4900   3.9210   1.6760 4.216000 2.242000 
1 1 1   55    1   15 o   4.6520   1.3790   6.1510   2.2710   3.1530   1.5640 2.998000 2.758000 
1 1 1   55    1   16 o   5.8600   1.3860   4.4790   1.8560   7.2420   2.0590 -2.763000 2.772000 
1 1 1   55    1   17 o   4.3330   1.2700   4.4540   1.8010   4.2110   1.7900 0.2435000 2.539000 
1 1 1   55    1   18 o   4.7100   1.2960   4.0550   1.7360   5.3650   1.9250 -1.309000 2.592000 
1 1 1   55    1   19 o   4.0490   1.1740   2.6200   1.3180   5.4780   1.9430 -2.858000 2.348000 
1 1 1   55    1   20 o   3.5670   1.1510   3.7690   1.6860   3.3650   1.5680 0.4040000 2.303000 
1 1 1   55    1   21 o   3.1250   1.0530   3.2920   1.5480   2.9580   1.4290 0.3349000 2.107000 
1 1 1   55    1   22 o   2.7600   0.9583   2.8370   1.3870   2.6840   1.3230 0.1532000 1.917000 
1 1 1   55    1   23 o   2.7000   0.9659   2.7610   1.3920   2.6400   1.3390 0.1211000 1.932000 
1 1 1   55    3    0 o   11.390   0.4895   10.670   0.7466   12.100   0.6333 -1.422000 0.9790000 
1 1 1   55    3    1 o   13.410   0.4311   13.100   0.6245   13.710   0.5944 -0.6063000 0.8622000 
1 1 1   55    3    2 o   14.660   0.4588   13.980   0.7023   15.340   0.5905 -1.359000 0.9176000 
1 1 1   55    3    3 o   9.7290   0.8992   11.020   0.9978   8.4420   1.4960 2.573000 1.798000 
1 1 1   55    3    4 o   8.3390   0.7938   8.8030   1.0780   7.8740   1.1650 0.9290000 1.588000 
1 1 1   55    3    5 o   3.4070   1.0410   3.6090   1.5220   3.2040   1.4200 0.4051000 2.081000 
1 1 1   55    3    6 o   3.9910   1.1020   3.4410   1.4960   4.5420   1.6190 -1.101000 2.204000 
1 1 1   55    3    7 o   3.7660   1.1020   3.5930   1.5280   3.9390   1.5880 -0.3464000 2.204000 
1 1 1   55    3    8 o   4.3670   1.1400   3.3540   1.5050   5.3810   1.7120 -2.027000 2.279000 
1 1 1   55    3    9 o   3.8200   1.1210   4.4920   1.7060   3.1490   1.4550 1.343000 2.242000 
1 1 1   55    3   10 f   3.6660   1.1000   3.0740   1.4280   4.2570   1.6740 -1.182000 2.200000 
1 1 1   55    3   11 o   3.5490   1.0940   2.5800   1.2790   4.5190   1.7750 -1.939000 2.188000 
1 1 1   55    3   12 o   4.6240   1.2790   5.0490   1.9000   4.1990   1.7140 0.8500000 2.559000 
1 1 1   55    3   13 o   3.6850   1.1440   3.4930   1.5710   3.8780   1.6630 -0.3850000 2.288000 
1 1 1   55    3   14 o   4.2740   1.2710   5.1500   1.9870   3.3980   1.5850 1.752000 2.542000 
1 1 1   55    3   15 o   4.3820   1.2540   4.5030   1.7780   4.2620   1.7670 0.2404000 2.507000 
1 1 1   55    3   16 o   6.7900   1.4020   7.3880   1.8330   6.1920   2.1220 1.196000 2.805000 
1 1 1   55    3   17 o   3.7650   1.1810   4.0850   1.7450   3.4460   1.5920 0.6384000 2.362000 
1 1 1   55    3   18 o   3.3080   1.0880   3.8230   1.6910   2.7920   1.3700 1.031000 2.176000 
1 1 1   55    3   19 o   3.8830   1.2160   3.8820   1.7070   3.8850   1.7330 -0.2768000E-02 2.432000 
1 1 1   55    3   20 o   2.7620   0.9539   3.3580   1.5570   2.1650   1.1020 1.193000 1.908000 
1 1 1   55    3   21 o   3.1290   1.0550   3.0250   1.4560   3.2330   1.5280 -0.2083000 2.111000 
1 1 1   55    3   22 f   3.0310   1.0420   2.8920   1.4240   3.1690   1.5210 -0.2766000 2.083000 
1 1 1   55    3   23 o   2.8240   1.0140   2.8900   1.4530   2.7580   1.4140 0.1328000 2.028000 
1 1 1   55    5    0 o   19.860   0.3942   18.850   0.4892   20.880   0.6183 -2.024000 0.7884000 
1 1 1   55    5    1 o   5.6590   0.9287   6.7110   1.1650   4.6070   1.4470 2.104000 1.857000 
1 1 1   55    5    2 o   9.1930   0.6310   9.2620   0.8861   9.1240   0.8987 0.1377000 1.262000 
1 1 1   55    5    3 o   14.230   0.6612   14.580   0.9037   13.880   0.9654 0.6967000 1.322000 
1 1 1   55    5    4 o   9.2060   0.9834   10.050   1.1370   8.3600   1.6050 1.692000 1.967000 
1 1 1   55    5    5 o   2.7280   0.9060   2.5740   1.2340   2.8820   1.3270 -0.3084000 1.812000 
1 1 1   55    5    6 o   4.3210   1.1050   5.1840   1.6360   3.4580   1.4850 1.726000 2.209000 
1 1 1   55    5    7 o   13.830   0.5476   14.010   0.7697   13.650   0.7792 0.3588000 1.095000 
1 1 1   55    5    8 o   12.220   0.6271   12.960   0.7925   11.470   0.9722 1.489000 1.254000 
1 1 1   55    5    9 o   3.4230   1.0670   3.6030   1.5540   3.2430   1.4610 0.3593000 2.133000 
1 1 1   55    5   10 o   5.0170   1.1080   3.5360   1.5490   6.4980   1.5860 -2.962000 2.217000 
1 1 1   55    5   11 o   8.0150   1.0080   6.7510   1.6240   9.2790   1.1960 -2.528000 2.016000 
1 1 1   55    5   12 o   12.020   0.7954   11.950   1.1420   12.080   1.1080 -0.1319000 1.591000 
1 1 1   55    5   13 o   7.7460   1.2700   8.2370   1.7670   7.2540   1.8240 0.9833000 2.540000 
1 1 1   55    5   14 o   3.5520   1.1270   3.5500   1.5820   3.5550   1.6070 -0.4211000E-02 2.255000 
1 1 1   55    5   15 o   7.6430   1.1410   6.1480   1.7920   9.1380   1.4140 -2.989000 2.282000 
1 1 1   55    5   16 o   3.9130   1.2560   3.6260   1.6670   4.2010   1.8800 -0.5748000 2.513000 
1 1 1   55    5   17 o   4.0620   1.1600   2.5850   1.2840   5.5400   1.9320 -2.955000 2.320000 
1 1 1   55    5   18 o   4.1930   1.2410   4.6200   1.8380   3.7660   1.6670 0.8535000 2.481000 
1 1 1   55    5   19 o   3.5070   1.1340   3.4620   1.5890   3.5530   1.6170 -0.9185000E-01 2.267000 
1 1 1   55    5   20 f   3.0500   1.0270   3.3240   1.5400   2.7750   1.3570 0.5487000 2.053000 
1 1 1   55    5   21 o   3.4090   1.1200   3.3620   1.5900   3.4570   1.5790 -0.9473000E-01 2.241000 
1 1 1   55    5   22 f   2.1650   0.7832   1.9730   1.0150   2.3580   1.1930 -0.3850000 1.566000 
1 1 1   55    7    0 o   19.350   0.3490   19.310   0.4965   19.380   0.4907 -0.6232000E-01 0.6981000 
1 1 1   55    7    1 o   12.870   0.4876   13.970   0.7437   11.760   0.6308 2.218000 0.9752000 
1 1 1   55    7    2 o   14.810   0.4030   14.570   0.5633   15.040   0.5764 -0.4648000 0.8060000 
1 1 1   55    7    3 o   11.360   0.5287   11.830   0.6975   10.880   0.7948 0.9491000 1.057000 
1 1 1   55    7    4 o   14.970   0.6731   14.520   0.8947   15.420   1.0060 -0.8968000 1.346000 
1 1 1   55    7    5 o   4.0000   1.1320   4.0110   1.6060   3.9880   1.5970 0.2250000E-01 2.265000 
1 1 1   55    7    6 o   14.360   0.4841   14.370   0.6844   14.350   0.6848 0.1705000E-01 0.9681000 
1 1 1   55    7    7 o   8.7160   0.8217   8.0420   1.2530   9.3890   1.0640 -1.347000 1.643000 
1 1 1   55    7    8 o   4.3800   1.1610   3.7860   1.5950   4.9740   1.6870 -1.187000 2.322000 
1 1 1   55    7    9 o   4.1850   1.1660   4.4420   1.6730   3.9280   1.6240 0.5135000 2.332000 
1 1 1   55    7   10 o   9.1260   0.8571   8.7540   1.2660   9.4990   1.1550 -0.7453000 1.714000 
1 1 1   55    7   11 o   6.9720   1.3630   6.0210   2.2230   7.9230   1.5760 -1.902000 2.725000 
1 1 1   55    7   12 o   6.6200   1.5370   6.4750   2.2810   6.7650   2.0620 -0.2897000 3.075000 
1 1 1   55    7   13 o   3.4680   1.0950   4.0540   1.6950   2.8810   1.3860 1.173000 2.190000 
1 1 1   55    7   14 o   6.3480   1.2750   6.4360   1.7630   6.2610   1.8430 0.1753000 2.551000 
1 1 1   55    7   15 o   4.0760   1.2210   3.5040   1.6110   4.6490   1.8360 -1.145000 2.443000 
1 1 1   55    7   16 o   6.4890   1.4580   6.1810   1.9850   6.7960   2.1360 -0.6144000 2.916000 
1 1 1   55    7   17 o   2.9780   1.0230   2.9050   1.4280   3.0510   1.4640 -0.1458000 2.045000 
1 1 1   55    7   18 o   3.8540   1.1930   4.0910   1.7360   3.6170   1.6360 0.4743000 2.386000 
1 1 1   55    7   19 o   3.3330   1.0960   3.4060   1.5730   3.2610   1.5270 0.1452000 2.193000 
1 1 1   55    7   20 o   2.6380   0.9283   2.7420   1.3610   2.5340   1.2620 0.2081000 1.857000 
1 1 1   55    7   21 o   2.9400   1.0160   2.9380   1.4360   2.9430   1.4380 -0.5055000E-02 2.032000 
1 1 1   55    7   22 o   2.5300   0.8931   2.8190   1.3730   2.2410   1.1430 0.5778000 1.786000 
1 1 1   55    9    0 o   22.920   0.4055   22.470   0.5878   23.370   0.5588 -0.9046000 0.8110000 
1 1 1   55    9    1 o   18.270   0.4158   18.880   0.6624   17.660   0.5029 1.220000 0.8317000 
1 1 1   55    9    2 o   4.6120   1.1010   4.3290   1.5440   4.8950   1.5700 -0.5655000 2.202000 
1 1 1   55    9    3 o   3.8900   1.0630   4.2630   1.5310   3.5170   1.4760 0.7466000 2.127000 
1 1 1   55    9    4 o   17.620   0.5199   17.240   0.6831   18.000   0.7839 -0.7556000 1.040000 
1 1 1   55    9    5 o   20.700   0.3654   21.280   0.5037   20.120   0.5295 1.159000 0.7308000 
1 1 1   55    9    6 o   5.7050   1.1240   5.0790   1.6590   6.3310   1.5170 -1.252000 2.248000 
1 1 1   55    9    7 o   9.6090   0.7696   8.5650   1.2150   10.650   0.9449 -2.088000 1.539000 
1 1 1   55    9    8 o   6.3420   1.1110   5.3350   1.6960   7.3500   1.4350 -2.015000 2.221000 
1 1 1   55    9    9 o   6.7840   1.2210   6.0980   1.8410   7.4690   1.6030 -1.372000 2.441000 
1 1 1   55    9   10 o   4.8490   1.2950   5.1010   1.8780   4.5970   1.7840 0.5033000 2.590000 
1 1 1   55    9   11 o   5.6000   1.2180   6.6200   1.7010   4.5800   1.7440 2.040000 2.436000 
1 1 1   55    9   12 o   4.2600   1.2870   4.2200   1.8200   4.3010   1.8200 -0.8027000E-01 2.574000 
1 1 1   55    9   13 o   5.6640   1.2530   6.5510   1.7290   4.7770   1.8130 1.774000 2.505000 
1 1 1   55    9   14 o   6.8930   1.1990   8.0970   1.5110   5.6890   1.8620 2.408000 2.398000 
1 1 1   55    9   15 o   4.0390   1.2090   4.3320   1.7500   3.7460   1.6690 0.5853000 2.418000 
1 1 1   55    9   16 o   5.3520   1.4280   5.4810   2.0040   5.2230   2.0350 0.2584000 2.856000 
1 1 1   55    9   17 o   3.6370   1.1360   4.4050   1.7980   2.8680   1.3880 1.537000 2.272000 
1 1 1   55    9   18 o   4.0910   1.2110   3.4540   1.5930   4.7280   1.8240 -1.275000 2.421000 
1 1 1   55    9   19 o   3.4700   1.1430   3.9770   1.7730   2.9620   1.4440 1.015000 2.287000 
1 1 1   55    9   20 o   3.1000   1.0560   3.4020   1.5990   2.7980   1.3790 0.6039000 2.112000 
1 1 1   55    9   21 o   2.3920   0.8480   2.3500   1.1820   2.4330   1.2160 -0.8301000E-01 1.696000 
1 1 1   55   11    0 f   16.960   0.3541   17.080   0.4814   16.840   0.5194 0.2382000 0.7082000 
1 1 1   55   11    1 o   18.720   0.3499   18.440   0.4888   18.990   0.5009 -0.5520000 0.6999000 
1 1 1   55   11    2 o   6.0650   0.9773   7.2890   1.1820   4.8420   1.5560 2.447000 1.955000 
1 1 1   55   11    3 o   6.5950   1.1770   6.1870   1.5890   7.0040   1.7360 -0.8167000 2.354000 
1 1 1   55   11    4 f   3.7500   1.1460   3.9330   1.6200   3.5680   1.6210 0.3651000 2.292000 
1 1 1   55   11    5 o   12.280   0.5501   12.020   0.7887   12.540   0.7669 -0.5132000 1.100000 
1 1 1   55   11    6 o   7.1920   1.0090   7.6140   1.3190   6.7690   1.5270 0.8449000 2.018000 
1 1 1   55   11    7 o   5.3180   1.2480   5.7510   1.7560   4.8850   1.7740 0.8665000 2.496000 
1 1 1   55   11    8 o   7.2530   1.1550   7.1450   1.6360   7.3610   1.6320 -0.2158000 2.311000 
1 1 1   55   11    9 o   8.9300   0.9442   7.2680   1.5590   10.590   1.0660 -3.323000 1.888000 
1 1 1   55   11   10 o   3.2650   1.0270   2.3140   1.1550   4.2160   1.6970 -1.902000 2.053000 
1 1 1   55   11   11 o   5.5760   1.2730   7.3620   1.8960   3.7900   1.6990 3.572000 2.546000 
1 1 1   55   11   12 o   4.6820   1.3420   5.3380   2.0080   4.0260   1.7810 1.311000 2.684000 
1 1 1   55   11   13 o   7.3000   1.1560   5.5880   1.8210   9.0110   1.4260 -3.423000 2.313000 
1 1 1   55   11   14 o   5.0140   1.2080   3.3920   1.5580   6.6350   1.8450 -3.243000 2.415000 
1 1 1   55   11   15 o   4.8120   1.1830   3.1350   1.4770   6.4890   1.8490 -3.355000 2.367000 
1 1 1   55   11   16 o   5.2330   1.2760   6.9830   1.9500   3.4830   1.6460 3.501000 2.552000 
1 1 1   55   11   17 o   4.6400   1.2460   3.5900   1.6240   5.6890   1.8890 -2.099000 2.491000 
1 1 1   55   11   18 o   3.3040   1.1000   2.9440   1.4360   3.6640   1.6660 -0.7206000 2.199000 
1 1 1   55   11   19 o   3.3530   1.0910   3.9050   1.7000   2.8020   1.3670 1.103000 2.181000 
1 1 1   55   11   20 o   2.9460   0.9951   3.4570   1.5780   2.4350   1.2130 1.022000 1.990000 
1 1 1   55   13    0 o   5.2290   1.0430   5.5170   1.3810   4.9400   1.5640 0.5771000 2.086000 
1 1 1   55   13    1 o   12.210   0.5375   12.590   0.6796   11.840   0.8330 0.7580000 1.075000 
1 1 1   55   13    2 o   10.330   0.7788   10.360   0.9548   10.300   1.2310 0.5640000E-01 1.558000 
1 1 1   55   13    3 o   7.6330   1.1740   8.8160   1.2730   6.4500   1.9730 2.366000 2.348000 
1 1 1   55   13    4 o   6.4350   1.0700   4.9750   1.6310   7.8940   1.3850 -2.919000 2.139000 
1 1 1   55   13    5 o   8.7720   0.8710   9.2220   1.0910   8.3210   1.3580 0.9007000 1.742000 
1 1 1   55   13    6 f   2.9830   0.9796   2.6450   1.2610   3.3200   1.5000 -0.6748000 1.959000 
1 1 1   55   13    7 o   4.4130   1.1830   4.6840   1.6530   4.1430   1.6930 0.5411000 2.366000 
1 1 1   55   13    8 f   8.3790   0.9944   8.8140   1.3540   7.9430   1.4570 0.8714000 1.989000 
1 1 1   55   13    9 o   10.070   0.8051   9.9710   1.1340   10.160   1.1430 -0.1901000 1.610000 
1 1 1   55   13   10 o   5.8070   1.0110   8.4380   1.3740   3.1760   1.4830 5.262000 2.022000 
1 1 1   55   13   11 o   4.2110   1.3040   4.2500   1.8480   4.1720   1.8400 0.7772000E-01 2.608000 
1 1 1   55   13   12 o   4.0610   1.2210   4.0610   1.7080   4.0600   1.7450 0.9451000E-03 2.442000 
1 1 1   55   13   13 o   4.4870   1.2420   3.5070   1.5860   5.4680   1.9110 -1.962000 2.483000 
1 1 1   55   13   14 o   4.7870   1.2840   5.5510   1.8870   4.0220   1.7430 1.529000 2.568000 
1 1 1   55   13   15 o   4.5120   1.3250   4.6200   1.8350   4.4030   1.9110 0.2174000 2.650000 
1 1 1   55   13   16 o   4.0670   1.3140   3.6360   1.7170   4.4990   1.9900 -0.8625000 2.629000 
1 1 1   55   13   17 o   3.5840   1.1390   2.7000   1.3370   4.4670   1.8440 -1.767000 2.278000 
1 1 1   55   13   18 o   2.2990   0.8211   2.6270   1.2960   1.9720   1.0080 0.6552000 1.642000 
1 1 1   55   13   19 o   2.5780   0.9017   2.9060   1.4020   2.2490   1.1350 0.6569000 1.803000 
1 1 1   55   15    0 o   7.3540   0.8619   6.8550   1.2480   7.8520   1.1890 -0.9964000 1.724000 
1 1 1   55   15    1 o   7.4480   1.0330   9.7980   1.0070   5.0980   1.8040 4.700000 2.066000 
1 1 1   55   15    2 o   9.4870   0.7434   9.8190   1.0490   9.1550   1.0540 0.6632000 1.487000 
1 1 1   55   15    3 o   5.3400   1.1610   5.4820   1.5880   5.1980   1.6950 0.2838000 2.323000 
1 1 1   55   15    4 o   12.410   0.5875   12.020   0.8206   12.790   0.8409 -0.7698000 1.175000 
1 1 1   55   15    5 o   14.660   0.5441   15.430   0.7344   13.880   0.8031 1.548000 1.088000 
1 1 1   55   15    6 f   2.9570   0.9795   2.4150   1.1960   3.4980   1.5510 -1.083000 1.959000 
1 1 1   55   15    7 o   12.820   0.7006   12.710   1.0740   12.930   0.9004 -0.2167000 1.401000 
1 1 1   55   15    8 o   13.880   0.6735   14.520   0.9899   13.250   0.9135 1.278000 1.347000 
1 1 1   55   15    9 o   10.210   0.9368   11.130   1.2660   9.2990   1.3810 1.830000 1.874000 
1 1 1   55   15   10 o   5.4300   1.5650   6.2040   2.4500   4.6550   1.9480 1.549000 3.130000 
1 1 1   55   15   11 o   4.9200   1.3360   4.3930   1.8710   5.4470   1.9070 -1.055000 2.672000 
1 1 1   55   15   12 o   3.6730   1.1840   4.5390   1.9340   2.8060   1.3660 1.733000 2.368000 
1 1 1   55   15   13 o   3.9190   1.2430   4.2690   1.8760   3.5690   1.6300 0.6994000 2.485000 
1 1 1   55   15   14 o   3.0500   1.0570   3.2250   1.5720   2.8760   1.4130 0.3487000 2.113000 
1 1 1   55   15   15 o   4.5770   1.4530   4.4550   2.0670   4.7000   2.0440 -0.2447000 2.907000 
1 1 1   55   15   16 o   3.0110   1.0250   2.5880   1.3100   3.4340   1.5770 -0.8458000 2.050000 
1 1 1   55   15   17 o   2.4040   0.8571   2.2970   1.1750   2.5120   1.2490 -0.2154000 1.714000 
1 1 1   55   15   18 o   2.3000   0.8329   2.2050   1.1420   2.3950   1.2130 -0.1903000 1.666000 
1 1 1   55   17    0 o   5.6970   1.2830   5.5500   1.8310   5.8440   1.7990 -0.2940000 2.567000 
1 1 1   55   17    1 o   4.5580   0.9588   2.4190   1.1940   6.6980   1.5010 -4.279000 1.918000 
1 1 1   55   17    2 o   4.4170   1.1990   4.5060   1.7360   4.3280   1.6550 0.1780000 2.399000 
1 1 1   55   17    3 o   6.6770   1.1510   6.2990   1.7500   7.0540   1.4960 -0.7542000 2.302000 
1 1 1   55   17    4 o   13.050   0.6431   13.740   0.9318   12.370   0.8866 1.371000 1.286000 
1 1 1   55   17    5 o   3.8620   1.1800   3.8600   1.7000   3.8630   1.6360 -0.2602000E-02 2.359000 
1 1 1   55   17    6 o   5.8200   1.2830   5.0770   1.9260   6.5640   1.6960 -1.487000 2.567000 
1 1 1   55   17    7 o   5.5680   1.3390   5.5510   1.9770   5.5860   1.8080 -0.3514000E-01 2.679000 
1 1 1   55   17    8 o   5.2360   1.3430   4.9490   1.9380   5.5220   1.8600 -0.5731000 2.686000 
1 1 1   55   17    9 o   4.6620   1.4130   4.9930   2.1130   4.3310   1.8750 0.6628000 2.826000 
1 1 1   55   17   10 o   3.6770   1.1500   3.0550   1.4620   4.2980   1.7750 -1.243000 2.300000 
1 1 1   55   17   11 f   4.4680   1.2540   6.0240   2.0720   2.9130   1.4130 3.111000 2.508000 
1 1 1   55   17   12 o   4.1670   1.2690   4.1750   1.7940   4.1590   1.7960 0.1579000E-01 2.538000 
1 1 1   55   17   13 o   4.7790   1.3310   4.5100   1.8120   5.0470   1.9490 -0.5370000 2.661000 
1 1 1   55   17   14 o   3.6400   1.1950   3.9240   1.7720   3.3570   1.6040 0.5664000 2.390000 
1 1 1   55   17   15 o   3.0510   1.0090   2.0680   1.0530   4.0340   1.7200 -1.966000 2.017000 
1 1 1   55   17   16 o   2.7160   0.9406   2.9850   1.4310   2.4470   1.2210 0.5374000 1.881000 
1 1 1   55   19    0 o   5.8410   1.1820   4.8070   1.8110   6.8750   1.5190 -2.067000 2.363000 
1 1 1   55   19    1 o   10.070   0.7278   10.080   1.0130   10.060   1.0450 0.2799000E-01 1.456000 
1 1 1   55   19    2 o   8.2250   0.9327   8.7000   1.2380   7.7490   1.3960 0.9508000 1.865000 
1 1 1   55   19    3 o   3.3890   1.0630   3.9240   1.6340   2.8530   1.3590 1.071000 2.125000 
1 1 1   55   19    4 o   3.1010   1.0100   3.5580   1.5540   2.6430   1.2900 0.9145000 2.020000 
1 1 1   55   19    5 o   4.8110   1.1870   5.8200   1.7150   3.8010   1.6420 2.019000 2.374000 
1 1 1   55   19    6 o   3.0480   1.0070   3.4200   1.5320   2.6770   1.3090 0.7425000 2.015000 
1 1 1   55   19    7 o   4.0210   1.2130   4.5560   1.7770   3.4850   1.6510 1.071000 2.426000 
1 1 1   55   19    8 o   6.6720   1.5190   8.1530   2.1600   5.1920   2.1370 2.961000 3.038000 
1 1 1   55   19    9 o   4.3170   1.2770   3.8030   1.7010   4.8320   1.9060 -1.028000 2.555000 
1 1 1   55   19   10 o   3.5060   1.1310   3.6060   1.6150   3.4070   1.5840 0.1989000 2.262000 
1 1 1   55   19   11 o   4.0530   1.2150   4.0870   1.7150   4.0180   1.7200 0.6976000E-01 2.429000 
1 1 1   55   19   12 o   2.6970   0.9332   2.7650   1.3430   2.6280   1.2960 0.1377000 1.866000 
1 1 1   55   19   13 o   2.9660   1.0360   2.7500   1.3790   3.1820   1.5450 -0.4316000 2.071000 
1 1 1   55   19   14 o   2.8300   0.9728   2.8620   1.3860   2.7990   1.3660 0.6233000E-01 1.946000 
1 1 1   55   21    0 o   4.0600   1.1770   4.1270   1.6650   3.9930   1.6640 0.1341000 2.354000 
1 1 1   55   21    1 o   10.050   0.8232   11.010   1.0270   9.0870   1.2870 1.920000 1.646000 
1 1 1   55   21    2 o   4.5430   1.1430   3.2000   1.4830   5.8860   1.7400 -2.687000 2.286000 
1 1 1   55   21    3 o   3.1820   1.0490   3.1820   1.4920   3.1820   1.4750 -0.4277000E-03 2.098000 
1 1 1   55   21    4 o   3.6870   1.1530   3.5780   1.5950   3.7960   1.6640 -0.2173000 2.305000 
1 1 1   55   21    5 o   4.3520   1.3110   3.9270   1.6780   4.7760   2.0150 -0.8489000 2.622000 
1 1 1   55   21    6 o   3.0130   1.0470   3.0030   1.4650   3.0230   1.4950 -0.1971000E-01 2.093000 
1 1 1   55   21    7 o   5.5680   1.2700   6.3620   1.7440   4.7750   1.8460 1.587000 2.539000 
1 1 1   55   21    8 o   3.2680   1.0510   4.0110   1.6860   2.5250   1.2570 1.487000 2.103000 
1 1 1   55   21    9 o   3.3730   1.0940   3.6010   1.6000   3.1440   1.4910 0.4566000 2.187000 
1 1 1   55   21   10 o   2.5310   0.8895   2.4640   1.2270   2.5990   1.2880 -0.1343000 1.779000 
1 1 1   55   21   11 o   2.7320   0.9482   3.0320   1.4440   2.4320   1.2300 0.5998000 1.896000 
1 1 1   55   21   12 o   2.0910   0.7692   2.0870   1.0860   2.0950   1.0900 -0.8013000E-02 1.538000 
1 1 1   55   23    0 o   5.6280   1.1950   6.5670   1.6070   4.6900   1.7680 1.877000 2.389000 
1 1 1   55   23    1 o   3.6380   1.1230   3.7030   1.5930   3.5730   1.5820 0.1308000 2.245000 
1 1 1   55   23    2 o   3.4110   1.0580   4.2720   1.7030   2.5510   1.2550 1.722000 2.115000 
1 1 1   55   23    3 o   3.1970   1.0860   3.0910   1.4930   3.3040   1.5790 -0.2133000 2.173000 
1 1 1   55   23    4 o   4.2230   1.2910   4.2870   1.8410   4.1590   1.8120 0.1274000 2.583000 
1 1 1   55   23    5 o   2.8690   0.9731   3.0100   1.4210   2.7280   1.3300 0.2824000 1.946000 
1 1 1   55   23    6 o   2.8000   0.9550   2.8180   1.3500   2.7820   1.3510 0.3650000E-01 1.910000 
1 1 1   55   23    7 o   3.2740   1.0640   3.6270   1.5980   2.9200   1.4040 0.7066000 2.127000 
1 1 1   55   23    8 o   2.0650   0.7430   2.2370   1.1250   1.8940   0.9704 0.3438000 1.486000 
1 1 1   55   25    0 o   3.2340   1.0970   3.0240   1.4790   3.4440   1.6200 -0.4200000 2.194000 
1 1 1   55   25    1 o   2.3120   0.8217   2.1610   1.1070   2.4630   1.2140 -0.3015000 1.643000 
1 1 1   55   25    2 o   2.0300   0.7284   1.9560   0.9955   2.1050   1.0640 -0.1492000 1.457000 
1 1 1   55   25    3 o   1.7310   0.6363   1.7880   0.9298   1.6740   0.8689 0.1143000 1.273000 
1 1 1   56    0    0 o   20.560   0.6616   20.560   0.6616   20.560   0.6616 -0.000000 0.000000 
1 1 1   56    0    1 o   13.550   1.4710   13.550   1.4710   13.550   1.4710 -0.000000 0.000000 
1 1 1   56    0    2 o   4.6630   1.8760   4.6630   1.8760   4.6630   1.8760 -0.000000 0.000000 
1 1 1   56    0    3 o   7.5370   1.2760   7.5370   1.2760   7.5370   1.2760 0.000000 0.000000 
1 1 1   56    0    4 o   1.3580   0.9967   1.3580   0.9967   1.3580   0.9967 -0.000000 0.000000 
1 1 1   56    0    5 o   1.9710   1.3640   1.9710   1.3640   1.9710   1.3640 0.000000 0.000000 
1 1 1   56    0    6 o   2.4490   1.5830   2.4490   1.5830   2.4490   1.5830 0.000000 0.000000 
1 1 1   56    0    7 o   4.2180   1.9980   4.2180   1.9980   4.2180   1.9980 0.000000 0.000000 
1 1 1   56    0    8 o   2.3610   1.5690   2.3610   1.5690   2.3610   1.5690 -0.000000 0.000000 
1 1 1   56    0    9 o   3.8130   2.0390   3.8130   2.0390   3.8130   2.0390 -0.000000 0.000000 
1 1 1   56    0   10 o   20.820   0.7239   20.820   0.7239   20.820   0.7239 -0.000000 0.000000 
1 1 1   56    0   11 o   2.3060   1.5900   2.3060   1.5900   2.3060   1.5900 0.000000 0.000000 
1 1 1   56    0   12 o   5.8200   2.1180   5.8200   2.1180   5.8200   2.1180 0.000000 0.000000 
1 1 1   56    0   13 f   4.0090   2.1480   4.0090   2.1480   4.0090   2.1480 -0.000000 0.000000 
1 1 1   56    0   14 o   8.5990   1.4690   8.5990   1.4690   8.5990   1.4690 0.000000 0.000000 
1 1 1   56    0   15 o   3.6190   2.3020   3.6190   2.3020   3.6190   2.3020 0.000000 0.000000 
1 1 1   56    0   16 o   2.1740   1.5260   2.1740   1.5260   2.1740   1.5260 0.000000 0.000000 
1 1 1   56    0   17 o   2.4980   1.6980   2.4980   1.6980   2.4980   1.6980 0.000000 0.000000 
1 1 1   56    0   18 o   3.1370   1.9750   3.1370   1.9750   3.1370   1.9750 -0.000000 0.000000 
1 1 1   56    0   19 o   3.1190   1.9670   3.1190   1.9670   3.1190   1.9670 0.000000 0.000000 
1 1 1   56    0   20 o   1.6300   1.1970   1.6300   1.1970   1.6300   1.1970 0.000000 0.000000 
1 1 1   56    0   21 o   2.0380   1.4490   2.0380   1.4490   2.0380   1.4490 -0.000000 0.000000 
1 1 1   56    0   22 o   2.5130   1.7030   2.5130   1.7030   2.5130   1.7030 -0.000000 0.000000 
1 1 1   56    2    0 o   6.2150   0.8901   6.1780   1.3000   6.2520   1.2160 -0.7408000E-01 1.780000 
1 1 1   56    2    1 o   5.6980   1.0010   5.1180   1.4920   6.2780   1.3350 -1.160000 2.002000 
1 1 1   56    2    2 o   7.2630   1.1270   7.1430   1.5240   7.3830   1.6610 -0.2404000 2.254000 
1 1 1   56    2    3 o   4.8020   1.1170   4.7100   1.5960   4.8930   1.5620 -0.1833000 2.233000 
1 1 1   56    2    4 o   11.410   0.5808   11.920   0.8024   10.910   0.8400 1.001000 1.162000 
1 1 1   56    2    5 o   15.300   0.4608   15.730   0.6427   14.870   0.6606 0.8574000 0.9217000 
1 1 1   56    2    6 f   3.0000   0.9670   3.4970   1.5060   2.5030   1.2140 0.9945000 1.934000 
1 1 1   56    2    7 o   5.2810   1.1570   4.7010   1.6590   5.8610   1.6130 -1.160000 2.314000 
1 1 1   56    2    8 o   4.0800   1.1410   3.9210   1.5930   4.2390   1.6360 -0.3183000 2.283000 
1 1 1   56    2    9 o   9.8030   0.8646   10.960   1.0670   8.6490   1.3610 2.308000 1.729000 
1 1 1   56    2   10 o   6.4290   1.1790   7.0280   1.5990   5.8300   1.7320 1.198000 2.357000 
1 1 1   56    2   11 o   4.7090   1.2940   4.5200   1.8220   4.8970   1.8380 -0.3771000 2.588000 
1 1 1   56    2   12 o   6.0850   1.2060   4.7830   1.7890   7.3870   1.6170 -2.604000 2.412000 
1 1 1   56    2   13 o   4.8850   1.2690   5.1540   1.8170   4.6150   1.7710 0.5390000 2.537000 
1 1 1   56    2   14 o   4.4450   1.2980   3.8170   1.7400   5.0730   1.9260 -1.256000 2.596000 
1 1 1   56    2   15 o   4.4470   1.3250   4.0610   1.8110   4.8330   1.9350 -0.7719000 2.651000 
1 1 1   56    2   16 o   5.0460   1.3430   6.0890   1.9820   4.0030   1.8140 2.085000 2.686000 
1 1 1   56    2   17 o   3.5820   1.1490   3.7810   1.6760   3.3820   1.5720 0.3993000 2.298000 
1 1 1   56    2   18 o   5.3490   1.3350   4.7860   1.8320   5.9130   1.9420 -1.126000 2.670000 
1 1 1   56    2   19 o   3.4000   1.1190   3.5390   1.6200   3.2620   1.5430 0.2774000 2.237000 
1 1 1   56    2   20 o   2.5540   0.8997   2.1910   1.1130   2.9160   1.4140 -0.7256000 1.799000 
1 1 1   56    2   21 o   2.8630   0.9849   3.0300   1.4580   2.6950   1.3250 0.3353000 1.970000 
1 1 1   56    2   22 f   2.7000   0.9460   2.5360   1.2790   2.8640   1.3940 -0.3281000 1.892000 
1 1 1   56    4    0 o   8.7310   0.5753   8.9520   0.8280   8.5100   0.7990 0.4421000 1.151000 
1 1 1   56    4    1 o   4.6780   1.0270   5.2690   1.4430   4.0870   1.4620 1.182000 2.054000 
1 1 1   56    4    2 o   6.8790   0.8771   5.4890   1.4510   8.2700   0.9856 -2.781000 1.754000 
1 1 1   56    4    3 o   10.530   0.8170   9.9800   1.1510   11.080   1.1600 -1.096000 1.634000 
1 1 1   56    4    4 o   5.3850   1.1090   5.0690   1.6280   5.7020   1.5060 -0.6324000 2.218000 
1 1 1   56    4    5 o   5.7910   1.0860   5.3940   1.6230   6.1880   1.4430 -0.7941000 2.172000 
1 1 1   56    4    6 o   2.9850   0.9709   3.0430   1.3960   2.9270   1.3500 0.1159000 1.942000 
1 1 1   56    4    7 o   3.0380   0.9970   3.2040   1.4650   2.8720   1.3520 0.3315000 1.994000 
1 1 1   56    4    8 o   8.3130   0.9325   8.1220   1.3670   8.5050   1.2690 -0.3830000 1.865000 
1 1 1   56    4    9 o   4.0280   1.0900   2.9730   1.3920   5.0830   1.6770 -2.110000 2.179000 
1 1 1   56    4   10 o   2.5240   0.8725   2.5770   1.2590   2.4710   1.2080 0.1062000 1.745000 
1 1 1   56    4   11 o   4.8880   1.2880   4.2230   1.7880   5.5530   1.8550 -1.329000 2.576000 
1 1 1   56    4   12 o   4.6570   1.2660   5.6160   1.9100   3.6980   1.6640 1.919000 2.533000 
1 1 1   56    4   13 o   4.3000   1.2660   5.1100   1.9520   3.4910   1.6120 1.620000 2.532000 
1 1 1   56    4   14 o   5.4720   1.3450   4.4450   1.8560   6.5000   1.9460 -2.054000 2.689000 
1 1 1   56    4   15 f   3.2690   1.0740   2.9770   1.4190   3.5600   1.6120 -0.5832000 2.147000 
1 1 1   56    4   16 o   5.5530   1.4330   4.9150   1.9490   6.1920   2.1020 -1.277000 2.867000 
1 1 1   56    4   17 o   4.1310   1.2390   3.6930   1.6530   4.5700   1.8450 -0.8762000 2.477000 
1 1 1   56    4   18 o   3.5960   1.1600   3.6720   1.6550   3.5200   1.6270 0.1515000 2.321000 
1 1 1   56    4   19 o   3.1720   1.0610   2.8050   1.3700   3.5390   1.6210 -0.7339000 2.123000 
1 1 1   56    4   20 o   3.2740   1.0850   3.6430   1.6480   2.9050   1.4120 0.7379000 2.170000 
1 1 1   56    4   21 o   2.0170   0.7310   2.2260   1.1270   1.8070   0.9309 0.4186000 1.462000 
1 1 1   56    4   22 o   2.4900   0.8869   2.6600   1.3270   2.3200   1.1770 0.3396000 1.774000 
1 1 1   56    6    0 o   7.9800   0.6889   8.2480   0.9889   7.7110   0.9595 0.5368000 1.378000 
1 1 1   56    6    1 o   6.6280   0.7888   7.1720   1.0530   6.0850   1.1750 1.087000 1.578000 
1 1 1   56    6    2 o   3.9840   1.0490   3.8430   1.4660   4.1240   1.5000 -0.2814000 2.097000 
1 1 1   56    6    3 o   11.070   0.5554   9.8130   0.8426   12.330   0.7238 -2.519000 1.111000 
1 1 1   56    6    4 o   13.590   0.6571   13.440   0.8780   13.730   0.9779 -0.2962000 1.314000 
1 1 1   56    6    5 o   5.1310   1.1800   5.5430   1.6800   4.7190   1.6580 0.8247000 2.361000 
1 1 1   56    6    6 o   7.7530   0.9756   7.5670   1.4420   7.9390   1.3140 -0.3715000 1.951000 
1 1 1   56    6    7 o   7.5700   0.9676   6.5490   1.5590   8.5900   1.1470 -2.041000 1.935000 
1 1 1   56    6    8 o   13.540   0.5472   13.600   0.7821   13.490   0.7656 0.1137000 1.094000 
1 1 1   56    6    9 o   7.7700   1.0050   9.4690   1.1270   6.0710   1.6650 3.398000 2.011000 
1 1 1   56    6   10 o   4.7660   1.2220   4.7900   1.7300   4.7410   1.7270 0.4857000E-01 2.445000 
1 1 1   56    6   11 o   9.0450   0.9213   8.5130   1.3940   9.5760   1.2060 -1.063000 1.843000 
1 1 1   56    6   12 o   11.660   1.1020   11.220   1.7400   12.100   1.3550 -0.8821000 2.205000 
1 1 1   56    6   13 o   3.4780   1.1100   3.3570   1.5300   3.5990   1.6080 -0.2418000 2.220000 
1 1 1   56    6   14 o   4.3740   1.1850   5.4310   1.8030   3.3160   1.5390 2.115000 2.371000 
1 1 1   56    6   15 o   4.7050   1.2620   3.8660   1.6720   5.5440   1.8910 -1.679000 2.524000 
1 1 1   56    6   16 o   4.1920   1.2990   4.1920   1.8010   4.1920   1.8720 -0.1345000E-03 2.597000 
1 1 1   56    6   17 o   3.9040   1.1820   3.2330   1.5190   4.5740   1.8120 -1.341000 2.364000 
1 1 1   56    6   18 o   4.5180   1.1900   5.9900   1.8830   3.0450   1.4570 2.945000 2.381000 
1 1 1   56    6   19 o   4.3650   1.2130   5.4270   1.8730   3.3040   1.5410 2.123000 2.426000 
1 1 1   56    6   20 o   3.0180   1.0220   2.7420   1.3440   3.2940   1.5400 -0.5520000 2.044000 
1 1 1   56    6   21 o   3.1590   1.0700   3.0410   1.4690   3.2770   1.5570 -0.2363000 2.141000 
1 1 1   56    6   22 o   2.0530   0.7514   2.1070   1.0860   1.9980   1.0390 0.1097000 1.503000 
1 1 1   56    8    0 o   28.010   0.3328   28.270   0.4597   27.750   0.4814 0.5233000 0.6657000 
1 1 1   56    8    1 o   11.150   0.5732   12.990   0.8016   9.3180   0.8195 3.671000 1.146000 
1 1 1   56    8    2 o   7.4930   0.8888   9.2240   0.9665   5.7630   1.4920 3.461000 1.778000 
1 1 1   56    8    3 f   7.2340   0.9157   6.6290   1.3940   7.8390   1.1880 -1.209000 1.831000 
1 1 1   56    8    4 o   17.520   0.5865   17.220   0.7909   17.820   0.8661 -0.6022000 1.173000 
1 1 1   56    8    5 o   11.600   0.6150   10.640   0.9621   12.560   0.7662 -1.925000 1.230000 
1 1 1   56    8    6 o   13.040   0.5539   12.500   0.8258   13.580   0.7384 -1.080000 1.108000 
1 1 1   56    8    7 o   4.6810   1.1640   5.3410   1.6810   4.0210   1.6100 1.320000 2.327000 
1 1 1   56    8    8 o   9.9560   0.7776   11.030   0.9546   8.8820   1.2280 2.149000 1.555000 
1 1 1   56    8    9 o   9.1060   0.8749   8.5600   1.3050   9.6520   1.1650 -1.091000 1.750000 
1 1 1   56    8   10 o   7.2730   1.3570   7.5060   2.1190   7.0400   1.6950 0.4657000 2.714000 
1 1 1   56    8   11 o   10.420   0.8822   10.880   1.2240   9.9650   1.2700 0.9154000 1.764000 
1 1 1   56    8   12 o   6.4650   1.3790   6.8520   1.9420   6.0780   1.9590 0.7745000 2.758000 
1 1 1   56    8   13 o   4.5040   1.2050   5.5140   1.8110   3.4950   1.5890 2.019000 2.409000 
1 1 1   56    8   14 o   4.6790   1.2760   4.4100   1.7610   4.9480   1.8460 -0.5377000 2.551000 
1 1 1   56    8   15 o   4.1500   1.1730   5.2310   1.8320   3.0680   1.4650 2.163000 2.346000 
1 1 1   56    8   16 o   3.7100   1.2020   3.9490   1.7650   3.4710   1.6320 0.4781000 2.403000 
1 1 1   56    8   17 o   3.7950   1.1850   3.8940   1.7070   3.6950   1.6460 0.1984000 2.371000 
1 1 1   56    8   18 o   5.6120   1.3370   5.5710   1.9030   5.6530   1.8770 -0.8246000E-01 2.673000 
1 1 1   56    8   19 o   4.3290   1.2600   4.2030   1.7760   4.4540   1.7890 -0.2511000 2.521000 
1 1 1   56    8   20 o   2.8740   0.9969   3.0740   1.4860   2.6740   1.3300 0.4006000 1.994000 
1 1 1   56    8   21 o   2.5440   0.8939   2.6560   1.3090   2.4310   1.2180 0.2246000 1.788000 
1 1 1   56   10    0 o   5.5870   1.1670   6.2500   1.5890   4.9240   1.7080 1.326000 2.333000 
1 1 1   56   10    1 o   2.6750   0.8755   2.7440   1.2550   2.6060   1.2210 0.1374000 1.751000 
1 1 1   56   10    2 o   15.250   0.4085   15.040   0.5743   15.460   0.5813 -0.4271000 0.8171000 
1 1 1   56   10    3 o   11.500   0.5416   12.230   0.7004   10.780   0.8262 1.452000 1.083000 
1 1 1   56   10    4 o   3.7930   1.1670   3.6220   1.5750   3.9640   1.7230 -0.3416000 2.334000 
1 1 1   56   10    5 o   10.580   0.6414   10.600   0.8901   10.550   0.9236 0.5227000E-01 1.283000 
1 1 1   56   10    6 o   5.1250   1.1910   4.7010   1.7140   5.5490   1.6520 -0.8480000 2.381000 
1 1 1   56   10    7 o   13.060   0.5746   13.420   0.7924   12.690   0.8322 0.7297000 1.149000 
1 1 1   56   10    8 o   3.1740   1.0440   2.9550   1.4090   3.3930   1.5400 -0.4385000 2.088000 
1 1 1   56   10    9 o   3.7880   1.1740   4.0730   1.7270   3.5040   1.5910 0.5682000 2.348000 
1 1 1   56   10   10 o   4.5740   1.2310   4.9100   1.7730   4.2380   1.7070 0.6722000 2.461000 
1 1 1   56   10   11 o   4.2480   1.1890   5.1680   1.7910   3.3280   1.5650 1.841000 2.378000 
1 1 1   56   10   12 o   10.350   1.0500   8.8030   1.7190   11.900   1.2070 -3.092000 2.101000 
1 1 1   56   10   13 o   3.8540   1.1790   4.0350   1.6970   3.6730   1.6370 0.3617000 2.357000 
1 1 1   56   10   14 o   7.0680   1.2230   7.1220   1.6760   7.0140   1.7820 0.1087000 2.446000 
1 1 1   56   10   15 o   4.9830   1.3080   5.0410   1.8520   4.9250   1.8490 0.1157000 2.617000 
1 1 1   56   10   16 o   3.0890   1.0600   3.0460   1.4770   3.1330   1.5200 -0.8650000E-01 2.120000 
1 1 1   56   10   17 o   4.9470   1.2830   5.6920   1.8820   4.2030   1.7450 1.488000 2.566000 
1 1 1   56   10   18 o   3.7240   1.1720   4.5300   1.8760   2.9170   1.4070 1.613000 2.344000 
1 1 1   56   10   19 o   3.3560   1.1070   2.8290   1.3900   3.8830   1.7230 -1.054000 2.213000 
1 1 1   56   10   20 o   2.7660   0.9522   2.9800   1.4270   2.5510   1.2600 0.4288000 1.904000 
1 1 1   56   12    0 o   3.3650   0.9821   2.7550   1.2530   3.9750   1.5130 -1.221000 1.964000 
1 1 1   56   12    1 o   13.870   0.4562   13.000   0.6539   14.740   0.6364 -1.743000 0.9125000 
1 1 1   56   12    2 o   13.960   0.4774   13.190   0.6904   14.730   0.6594 -1.539000 0.9548000 
1 1 1   56   12    3 o   8.6610   1.0340   9.7760   1.0710   7.5460   1.7680 2.231000 2.067000 
1 1 1   56   12    4 o   6.6400   1.0700   5.9370   1.5650   7.3430   1.4610 -1.406000 2.141000 
1 1 1   56   12    5 o   11.500   0.6540   10.600   0.9437   12.400   0.9056 -1.802000 1.308000 
1 1 1   56   12    6 o   9.7800   0.8344   8.3350   1.3080   11.220   1.0360 -2.888000 1.669000 
1 1 1   56   12    7 o   2.2100   0.7836   2.0360   1.0260   2.3840   1.1850 -0.3483000 1.567000 
1 1 1   56   12    8 o   3.7770   1.1360   3.3240   1.4980   4.2310   1.7080 -0.9075000 2.272000 
1 1 1   56   12    9 f   3.3270   1.0700   3.1550   1.4610   3.5000   1.5620 -0.3447000 2.139000 
1 1 1   56   12   10 o   3.7940   1.1510   3.3720   1.5320   4.2150   1.7180 -0.8425000 2.302000 
1 1 1   56   12   11 o   5.4870   1.4150   5.0200   1.9760   5.9540   2.0270 -0.9339000 2.830000 
1 1 1   56   12   12 o   3.5260   1.1260   3.0540   1.4450   3.9970   1.7260 -0.9429000 2.251000 
1 1 1   56   12   13 o   3.3000   1.0830   3.4380   1.5650   3.1620   1.4960 0.2759000 2.165000 
1 1 1   56   12   14 o   4.3240   1.2400   3.6110   1.6250   5.0370   1.8720 -1.426000 2.479000 
1 1 1   56   12   15 o   4.1130   1.1660   5.4240   1.8880   2.8030   1.3670 2.621000 2.331000 
1 1 1   56   12   16 o   3.5330   1.1510   4.2810   1.8370   2.7860   1.3870 1.495000 2.301000 
1 1 1   56   12   17 o   3.9380   1.2310   4.1780   1.8030   3.6970   1.6770 0.4810000 2.462000 
1 1 1   56   12   18 o   2.5950   0.9164   2.6430   1.3040   2.5480   1.2880 0.9507000E-01 1.833000 
1 1 1   56   12   19 o   2.6510   0.9210   3.1190   1.4730   2.1830   1.1060 0.9355000 1.842000 
1 1 1   56   14    0 o   4.6650   1.1130   4.5590   1.5240   4.7700   1.6220 -0.2108000 2.225000 
1 1 1   56   14    1 o   5.7060   1.0780   6.4730   1.4090   4.9390   1.6330 1.535000 2.157000 
1 1 1   56   14    2 o   4.2190   1.2200   3.6350   1.5610   4.8030   1.8750 -1.168000 2.439000 
1 1 1   56   14    3 o   6.4150   0.9988   4.6270   1.5770   8.2020   1.2250 -3.575000 1.998000 
1 1 1   56   14    4 o   3.1880   1.0050   3.4660   1.4780   2.9100   1.3630 0.5562000 2.011000 
1 1 1   56   14    5 o   10.080   0.7311   8.5650   1.1350   11.590   0.9223 -3.029000 1.462000 
1 1 1   56   14    6 o   12.580   0.6131   12.720   0.8038   12.430   0.9259 0.2917000 1.226000 
1 1 1   56   14    7 o   3.9060   1.1500   3.5010   1.5330   4.3120   1.7140 -0.8103000 2.300000 
1 1 1   56   14    8 o   3.6910   1.1240   3.0930   1.4370   4.2890   1.7280 -1.196000 2.248000 
1 1 1   56   14    9 o   7.3760   1.1670   7.6590   1.6300   7.0930   1.6710 0.5668000 2.334000 
1 1 1   56   14   10 o   7.2150   1.2840   7.2070   1.6390   7.2240   1.9760 -0.1716000E-01 2.568000 
1 1 1   56   14   11 o   3.6200   1.1930   3.5890   1.6750   3.6500   1.6990 -0.6161000E-01 2.386000 
1 1 1   56   14   12 o   4.4700   1.2280   3.5470   1.5920   5.3930   1.8710 -1.845000 2.457000 
1 1 1   56   14   13 o   5.0060   1.2790   4.0880   1.7260   5.9240   1.8870 -1.836000 2.557000 
1 1 1   56   14   14 o   6.0110   1.3230   6.4380   1.8560   5.5840   1.8850 0.8543000 2.646000 
1 1 1   56   14   15 o   3.3290   1.1450   2.7890   1.3940   3.8690   1.8160 -1.080000 2.289000 
1 1 1   56   14   16 o   2.4790   0.8815   2.5530   1.2790   2.4060   1.2130 0.1473000 1.763000 
1 1 1   56   14   17 o   2.9050   0.9896   2.9180   1.4030   2.8930   1.3960 0.2513000E-01 1.979000 
1 1 1   56   14   18 o   2.3550   0.8344   2.1780   1.1030   2.5320   1.2520 -0.3538000 1.669000 
1 1 1   56   16    0 o   7.0670   1.0810   7.2940   1.3670   6.8390   1.6740 0.4544000 2.162000 
1 1 1   56   16    1 o   6.9670   1.0850   8.6020   1.2040   5.3310   1.8040 3.270000 2.169000 
1 1 1   56   16    2 o   14.030   0.5014   13.990   0.6936   14.070   0.7244 -0.8021000E-01 1.003000 
1 1 1   56   16    3 o   15.880   0.4750   15.980   0.6479   15.780   0.6948 0.1997000 0.9500000 
1 1 1   56   16    4 o   6.4370   1.1360   6.8990   1.5040   5.9750   1.7040 0.9243000 2.273000 
1 1 1   56   16    5 o   5.2620   1.1280   3.7400   1.5890   6.7850   1.6030 -3.046000 2.257000 
1 1 1   56   16    6 o   4.5260   1.2300   4.3580   1.7040   4.6940   1.7750 -0.3365000 2.460000 
1 1 1   56   16    7 o   5.3790   1.1700   3.7510   1.6170   7.0070   1.6920 -3.256000 2.340000 
1 1 1   56   16    8 o   6.2280   1.2530   5.6900   1.7820   6.7660   1.7630 -1.076000 2.507000 
1 1 1   56   16    9 o   4.4870   1.7990   4.4870   1.7990  ?   ?       ?      ? 
1 1 1   56   16   10 o   3.1680   1.0920   2.8900   1.4430   3.4460   1.6400 -0.5557000 2.184000 
1 1 1   56   16   11 o   3.3040   1.0920   3.1180   1.4840   3.4910   1.6020 -0.3730000 2.184000 
1 1 1   56   16   12 o   3.1110   1.0390   2.4580   1.2330   3.7650   1.6720 -1.308000 2.077000 
1 1 1   56   16   13 o   4.7680   1.3390   4.9460   1.9050   4.5910   1.8820 0.3554000 2.678000 
1 1 1   56   16   14 o   3.1950   1.1100   2.6630   1.3460   3.7270   1.7660 -1.064000 2.221000 
1 1 1   56   16   15 f   2.6970   0.9615   3.0190   1.4970   2.3760   1.2070 0.6429000 1.923000 
1 1 1   56   16   16 o   2.4900   0.8779   2.0870   1.0670   2.8930   1.3950 -0.8058000 1.756000 
1 1 1   56   18    0 o   5.1700   1.1970   4.9840   1.6980   5.3570   1.6870 -0.3723000 2.393000 
1 1 1   56   18    1 o   6.6180   1.1360   7.4050   1.5130   5.8310   1.6950 1.573000 2.272000 
1 1 1   56   18    2 o   4.2580   1.2070   4.3650   1.7460   4.1520   1.6660 0.2138000 2.413000 
1 1 1   56   18    3 o   2.7610   0.9465   2.8870   1.3940   2.6350   1.2800 0.2518000 1.893000 
1 1 1   56   18    4 o   4.3790   1.0960   2.7070   1.3280   6.0510   1.7430 -3.343000 2.191000 
1 1 1   56   18    5 o   4.0520   1.2080   3.9140   1.7100   4.1900   1.7060 -0.2759000 2.415000 
1 1 1   56   18    6 o   4.4390   1.2220   5.7720   1.9610   3.1060   1.4580 2.666000 2.444000 
1 1 1   56   18    7 o   3.1330   1.0590   3.5480   1.6500   2.7190   1.3270 0.8291000 2.117000 
1 1 1   56   18    8 o   3.3190   1.1630   3.7540   1.8400   2.8840   1.4220 0.8704000 2.325000 
1 1 1   56   18    9 f   4.4040   1.3580   3.7380   1.8380   5.0710   1.9980 -1.333000 2.715000 
1 1 1   56   18   10 o   3.6690   1.1920   3.7200   1.7160   3.6180   1.6540 0.1018000 2.383000 
1 1 1   56   18   11 o   3.7460   1.2080   3.7130   1.7150   3.7780   1.7020 -0.6529000E-01 2.416000 
1 1 1   56   18   12 o   3.7000   1.1650   3.0360   1.4840   4.3630   1.7960 -1.327000 2.330000 
1 1 1   56   18   13 f   3.1300   1.0950   3.0730   1.5480   3.1880   1.5480 -0.1148000 2.189000 
1 1 1   56   18   14 o   2.4500   0.8857   2.5000   1.2870   2.3990   1.2170 0.1012000 1.771000 
1 1 1   56   18   15 o   2.1660   1.1260  ?   ?    2.1660   1.1260      ?      ? 
1 1 1   56   20    0 o   6.8890   1.1400   8.1370   1.5260   5.6400   1.6940 2.497000 2.280000 
1 1 1   56   20    1 o   8.5210   1.0270   8.0620   1.6430   8.9810   1.2320 -0.9184000 2.054000 
1 1 1   56   20    2 o   9.4590   0.9362   9.4630   1.4440   9.4550   1.1920 0.7760000E-02 1.872000 
1 1 1   56   20    3 o   3.9100   1.1870   4.0360   1.7360   3.7830   1.6190 0.2526000 2.374000 
1 1 1   56   20    4 o   5.0480   1.2410   5.9100   1.8120   4.1870   1.6960 1.723000 2.482000 
1 1 1   56   20    5 o   3.8270   1.1930   3.7470   1.6750   3.9070   1.6980 -0.1596000 2.385000 
1 1 1   56   20    6 o   3.5040   1.1610   3.3390   1.5450   3.6690   1.7320 -0.3301000 2.321000 
1 1 1   56   20    7 o   3.9110   1.2830   3.3790   1.6440   4.4430   1.9710 -1.063000 2.566000 
1 1 1   56   20    8 o   4.1440   1.2280   3.7670   1.6470   4.5220   1.8230 -0.7555000 2.457000 
1 1 1   56   20    9 o   4.0100   1.2030   4.2020   1.7300   3.8170   1.6730 0.3854000 2.407000 
1 1 1   56   20   10 o   2.8580   0.9753   3.0020   1.4250   2.7140   1.3320 0.2887000 1.951000 
1 1 1   56   20   11 o   2.8000   0.9620   2.5820   1.2740   3.0190   1.4420 -0.4371000 1.924000 
1 1 1   56   20   12 f   2.6630   0.9406   2.6370   1.3170   2.6890   1.3430 -0.5221000E-01 1.881000 
1 1 1   56   22    0 o   4.1320   1.1760   3.1430   1.4700   5.1220   1.8340 -1.979000 2.351000 
1 1 1   56   22    1 o   9.5660   0.9255   10.810   1.1030   8.3170   1.4870 2.497000 1.851000 
1 1 1   56   22    2 o   7.1270   1.1550   8.5760   1.4070   5.6780   1.8320 2.898000 2.310000 
1 1 1   56   22    3 o   3.5820   1.1100   3.9380   1.6420   3.2250   1.4940 0.7130000 2.221000 
1 1 1   56   22    4 o   4.8070   1.2730   3.5190   1.5510   6.0950   2.0200 -2.576000 2.546000 
1 1 1   56   22    5 o   2.9920   1.0320   2.7860   1.3760   3.1980   1.5380 -0.4118000 2.064000 
1 1 1   56   22    6 o   4.4960   1.2990   4.7090   1.9090   4.2830   1.7610 0.4260000 2.597000 
1 1 1   56   22    7 o   3.0350   1.0170   2.8720   1.3750   3.1990   1.4980 -0.3268000 2.033000 
1 1 1   56   22    8 f   2.3810   0.8407   2.3130   1.1570   2.4480   1.2200 -0.1357000 1.681000 
1 1 1   56   22    9 o   2.4400   0.8579   2.8360   1.3630   2.0450   1.0420 0.7919000 1.716000 
1 1 1   56   24    0 o   5.0930   1.2000   4.1730   1.6630   6.0130   1.7310 -1.840000 2.401000 
1 1 1   56   24    1 f   3.0060   1.0200   2.7750   1.3300   3.2360   1.5470 -0.4615000 2.040000 
1 1 1   56   24    2 o   2.2810   0.8193   2.2560   1.1460   2.3060   1.1710 -0.4999000E-01 1.639000 
1 1 1   56   24    3 f   2.4030   0.8577   2.5880   1.3020   2.2170   1.1160 0.3703000 1.715000 
1 1 1   56   24    4 o   2.5350   0.8825   2.4730   1.2170   2.5970   1.2780 -0.1240000 1.765000 
1 1 1   57    1    0 o   12.320   0.4645   12.140   0.6839   12.510   0.6287 -0.3684000 0.9290000 
1 1 1   57    1    1 o   8.3700   0.9098   8.6030   1.1170   8.1360   1.4370 0.4661000 1.820000 
1 1 1   57    1    2 f   12.950   0.5429   12.350   0.8514   13.560   0.6738 -1.208000 1.086000 
1 1 1   57    1    3 o   11.070   0.5865   10.520   0.8753   11.620   0.7808 -1.091000 1.173000 
1 1 1   57    1    4 o   12.540   0.5349   13.350   0.7152   11.720   0.7956 1.622000 1.070000 
1 1 1   57    1    5 o   10.170   0.6850   11.460   0.8424   8.8910   1.0810 2.567000 1.370000 
1 1 1   57    1    6 o   11.290   0.6176   11.100   0.8792   11.470   0.8677 -0.3710000 1.235000 
1 1 1   57    1    7 o   9.5600   0.7402   9.7700   1.0010   9.3500   1.0910 0.4201000 1.480000 
1 1 1   57    1    8 o   2.8070   0.9410   3.1830   1.4520   2.4310   1.1970 0.7516000 1.882000 
1 1 1   57    1    9 o   4.1740   1.2080   4.5340   1.7650   3.8150   1.6510 0.7192000 2.417000 
1 1 1   57    1   10 o   5.8060   1.3660   5.4240   1.9200   6.1880   1.9450 -0.7641000 2.733000 
1 1 1   57    1   11 o   6.0020   1.3210   5.5600   1.8970   6.4450   1.8380 -0.8847000 2.641000 
1 1 1   57    1   12 o   4.4910   1.2280   3.8700   1.6550   5.1110   1.8150 -1.242000 2.456000 
1 1 1   57    1   13 o   3.6880   1.1530   3.7310   1.6380   3.6460   1.6220 0.8518000E-01 2.306000 
1 1 1   57    1   14 o   6.7490   1.4060   6.7960   2.0340   6.7030   1.9420 0.9258000E-01 2.812000 
1 1 1   57    1   15 o   4.2540   1.3800   4.4120   1.9950   4.0950   1.9060 0.3170000 2.759000 
1 1 1   57    1   16 o   3.3800   1.1080   3.3960   1.5660   3.3640   1.5690 0.3239000E-01 2.217000 
1 1 1   57    1   17 o   3.8220   1.1840   4.3120   1.7860   3.3310   1.5560 0.9810000 2.369000 
1 1 1   57    1   18 o   4.0100   1.1990   4.8680   1.8720   3.1520   1.4990 1.715000 2.398000 
1 1 1   57    1   19 f   3.4170   1.1120   3.9120   1.7090   2.9210   1.4230 0.9907000 2.223000 
1 1 1   57    1   20 o   2.6860   0.9367   2.6110   1.2960   2.7620   1.3530 -0.1510000 1.873000 
1 1 1   57    1   21 o   2.4390   0.8637   2.4920   1.2440   2.3850   1.1980 0.1066000 1.727000 
1 1 1   57    1   22 o   2.3950   0.8574   2.5820   1.2980   2.2090   1.1210 0.3730000 1.715000 
1 1 1   57    3    0 o   16.420   0.3769   16.490   0.5046   16.350   0.5600 0.1423000 0.7538000 
1 1 1   57    3    1 o   7.8090   0.7484   7.1880   1.1530   8.4300   0.9538 -1.242000 1.497000 
1 1 1   57    3    2 o   3.6250   1.1100   2.7160   1.2990   4.5330   1.7990 -1.817000 2.219000 
1 1 1   57    3    3 f   19.350   0.4604   19.400   0.6228   19.310   0.6783 0.8865000E-01 0.9209000 
1 1 1   57    3    4 o   13.210   0.5008   13.300   0.7191   13.120   0.6973 0.1767000 1.002000 
1 1 1   57    3    5 o   10.470   0.6461   10.600   0.9179   10.350   0.9094 0.2438000 1.292000 
1 1 1   57    3    6 o   8.8320   0.7905   8.7440   1.1440   8.9200   1.0910 -0.1759000 1.581000 
1 1 1   57    3    7 o   3.9550   1.1260   3.7020   1.5620   4.2070   1.6210 -0.5050000 2.251000 
1 1 1   57    3    8 o   3.5430   1.0910   3.0330   1.4140   4.0540   1.6630 -1.021000 2.183000 
1 1 1   57    3    9 o   3.5180   1.0790   4.1290   1.6570   2.9080   1.3820 1.221000 2.157000 
1 1 1   57    3   10 o   4.3320   1.1960   4.6560   1.7430   4.0080   1.6400 0.6481000 2.393000 
1 1 1   57    3   11 o   6.6520   1.2910   6.1950   1.9010   7.1090   1.7490 -0.9138000 2.583000 
1 1 1   57    3   12 o   14.940   0.5726   14.880   0.8095   14.990   0.8101 -0.1093000 1.145000 
1 1 1   57    3   13 o   4.8080   1.3120   5.7180   2.0230   3.8970   1.6700 1.820000 2.623000 
1 1 1   57    3   14 o   3.5110   1.1560   3.5230   1.6480   3.4980   1.6220 0.2559000E-01 2.313000 
1 1 1   57    3   15 o   3.4610   1.1130   3.8370   1.6730   3.0850   1.4680 0.7519000 2.226000 
1 1 1   57    3   16 o   4.1640   1.2980   4.1380   1.8080   4.1890   1.8620 -0.5051000E-01 2.595000 
1 1 1   57    3   17 o   3.8140   1.1720   4.6270   1.8450   3.0000   1.4450 1.627000 2.343000 
1 1 1   57    3   18 o   3.6020   1.1520   3.1770   1.5050   4.0280   1.7450 -0.8516000 2.305000 
1 1 1   57    3   19 o   2.8080   0.9722   2.6650   1.3170   2.9510   1.4310 -0.2860000 1.944000 
1 1 1   57    3   20 o   2.6200   0.9169   2.6730   1.3170   2.5670   1.2760 0.1059000 1.834000 
1 1 1   57    3   21 o   3.4640   1.1260   3.1840   1.5090   3.7440   1.6700 -0.5599000 2.251000 
1 1 1   57    3   22 o   2.5220   1.2990  ?   ?    2.5220   1.2990      ?      ? 
1 1 1   57    5    0 o   7.2710   0.6647   7.7010   0.9124   6.8410   0.9668 0.8607000 1.329000 
1 1 1   57    5    1 o   13.710   0.4706   13.960   0.7593   13.460   0.5560 0.4947000 0.9411000 
1 1 1   57    5    2 o   9.3130   0.6227   9.3780   0.8728   9.2470   0.8883 0.1310000 1.245000 
1 1 1   57    5    3 o   7.4270   1.1670   7.1820   1.5520   7.6710   1.7430 -0.4899000 2.334000 
1 1 1   57    5    4 o   8.9580   1.0360   9.6850   1.2390   8.2310   1.6600 1.454000 2.071000 
1 1 1   57    5    5 o   10.920   0.6194   10.620   0.9144   11.220   0.8357 -0.5999000 1.239000 
1 1 1   57    5    6 o   5.6920   1.0580   3.8430   1.5980   7.5410   1.3860 -3.699000 2.116000 
1 1 1   57    5    7 o   3.9500   1.1550   4.1990   1.6840   3.7000   1.5810 0.4994000 2.310000 
1 1 1   57    5    8 o   3.5630   1.0640   4.3630   1.6720   2.7630   1.3160 1.601000 2.128000 
1 1 1   57    5    9 o   4.4050   1.0930   2.9520   1.3860   5.8580   1.6910 -2.906000 2.187000 
1 1 1   57    5   10 o   5.7790   1.2030   5.3070   1.7520   6.2520   1.6480 -0.9458000 2.406000 
1 1 1   57    5   11 o   4.7170   1.3390   5.5250   1.9380   3.9090   1.8490 1.616000 2.678000 
1 1 1   57    5   12 o   5.0330   1.4490   4.8790   2.0710   5.1870   2.0270 -0.3087000 2.898000 
1 1 1   57    5   13 o   5.6410   1.3420   4.7280   1.8810   6.5550   1.9140 -1.828000 2.684000 
1 1 1   57    5   14 o   3.7830   1.1410   4.5480   1.7670   3.0190   1.4440 1.529000 2.282000 
1 1 1   57    5   15 o   4.1290   1.1920   4.9410   1.8210   3.3170   1.5380 1.624000 2.384000 
1 1 1   57    5   16 o   3.4410   1.1520   3.4490   1.6190   3.4330   1.6390 0.1549000E-01 2.303000 
1 1 1   57    5   17 o   3.2680   1.0800   3.7480   1.6740   2.7870   1.3660 0.9607000 2.161000 
1 1 1   57    5   18 o   4.0780   1.2090   3.1400   1.4880   5.0150   1.9070 -1.875000 2.419000 
1 1 1   57    5   19 o   3.3840   1.1090   2.9730   1.4350   3.7940   1.6920 -0.8215000 2.219000 
1 1 1   57    5   20 o   2.7790   0.9616   2.7370   1.3430   2.8220   1.3760 -0.8564000E-01 1.923000 
1 1 1   57    5   21 o   2.3010   0.8250   2.3660   1.1960   2.2360   1.1360 0.1306000 1.650000 
1 1 1   57    7    0 o   10.340   0.5451   10.470   0.7994   10.200   0.7412 0.2629000 1.090000 
1 1 1   57    7    1 o   8.1850   0.6446   8.1130   0.9477   8.2580   0.8740 -0.1453000 1.289000 
1 1 1   57    7    2 o   8.9340   0.6598   8.2570   0.9948   9.6110   0.8669 -1.355000 1.320000 
1 1 1   57    7    3 o   4.5520   0.9967   6.0740   1.4600   3.0310   1.3580 3.043000 1.993000 
1 1 1   57    7    4 o   6.5080   1.4240   6.6400   1.9160   6.3750   2.1060 0.2650000 2.847000 
1 1 1   57    7    5 o   8.4470   0.8770   8.9470   1.1750   7.9480   1.3030 0.9988000 1.754000 
1 1 1   57    7    6 o   7.2100   0.9900   9.3100   1.0950   5.1100   1.6490 4.200000 1.980000 
1 1 1   57    7    7 o   3.2050   1.0160   2.7360   1.3070   3.6740   1.5560 -0.9376000 2.032000 
1 1 1   57    7    8 o   3.1380   1.0200   3.2730   1.4800   3.0030   1.4030 0.2704000 2.039000 
1 1 1   57    7    9 o   7.2350   1.0960   7.0940   1.5810   7.3750   1.5170 -0.2811000 2.191000 
1 1 1   57    7   10 o   7.3170   1.1180   7.8300   1.5150   6.8040   1.6430 1.026000 2.235000 
1 1 1   57    7   11 o   4.2570   1.2990   4.1490   1.7880   4.3640   1.8860 -0.2148000 2.599000 
1 1 1   57    7   12 o   3.6710   1.1850   3.4600   1.6110   3.8820   1.7390 -0.4223000 2.371000 
1 1 1   57    7   13 o   3.8330   1.1680   4.0760   1.6890   3.5900   1.6150 0.4860000 2.336000 
1 1 1   57    7   14 o   3.4740   1.1130   3.1230   1.4650   3.8240   1.6750 -0.7015000 2.225000 
1 1 1   57    7   15 o   5.4050   1.2430   6.7160   1.7690   4.0940   1.7460 2.622000 2.485000 
1 1 1   57    7   16 o   3.0770   1.0560   2.9100   1.4260   3.2440   1.5570 -0.3341000 2.111000 
1 1 1   57    7   17 o   3.7150   1.1660   3.8900   1.6980   3.5400   1.5990 0.3500000 2.332000 
1 1 1   57    7   18 o   3.0550   1.0290   2.8230   1.3750   3.2870   1.5310 -0.4641000 2.058000 
1 1 1   57    7   19 o   2.7740   0.9551   3.1630   1.4890   2.3860   1.1960 0.7767000 1.910000 
1 1 1   57    7   20 o   2.9300   1.0140   2.9050   1.4250   2.9560   1.4430 -0.5091000E-01 2.028000 
1 1 1   57    7   21 o   1.9920   0.7238   1.7970   0.9250   2.1870   1.1140 -0.3906000 1.448000 
1 1 1   57    9    0 o   4.7190   1.1710   4.6830   1.7080   4.7560   1.6030 -0.7372000E-01 2.343000 
1 1 1   57    9    1 o   7.8770   0.7954   6.3850   1.3330   9.3680   0.8679 -2.983000 1.591000 
1 1 1   57    9    2 o   6.9930   0.8471   7.0220   1.1710   6.9640   1.2240 0.5812000E-01 1.694000 
1 1 1   57    9    3 o   16.320   0.4029   15.930   0.5659   16.720   0.5735 -0.7910000 0.8057000 
1 1 1   57    9    4 o   4.8560   1.1960   3.1200   1.4520   6.5920   1.9020 -3.471000 2.393000 
1 1 1   57    9    5 o   11.320   0.6056   11.040   0.8810   11.590   0.8311 -0.5410000 1.211000 
1 1 1   57    9    6 o   3.4150   1.0560   3.4580   1.5070   3.3720   1.4800 0.8669000E-01 2.112000 
1 1 1   57    9    7 o   3.3080   1.0440   3.6480   1.5650   2.9690   1.3830 0.6789000 2.089000 
1 1 1   57    9    8 o   4.9850   1.1750   6.0580   1.6880   3.9130   1.6350 2.145000 2.350000 
1 1 1   57    9    9 o   5.7040   1.3000   4.9880   1.8680   6.4210   1.8070 -1.433000 2.599000 
1 1 1   57    9   10 o   12.610   0.6507   12.040   0.9638   13.190   0.8745 -1.158000 1.301000 
1 1 1   57    9   11 o   6.0920   1.1940   7.7690   1.5370   4.4150   1.8280 3.355000 2.389000 
1 1 1   57    9   12 o   4.9810   1.3760   5.0830   1.9650   4.8790   1.9270 0.2035000 2.752000 
1 1 1   57    9   13 o   3.6850   1.1460   3.6220   1.5940   3.7480   1.6480 -0.1253000 2.293000 
1 1 1   57    9   14 o   7.2620   1.1910   7.3940   1.6110   7.1300   1.7550 0.2642000 2.382000 
1 1 1   57    9   15 o   4.6150   1.2380   3.7910   1.6600   5.4380   1.8370 -1.647000 2.477000 
1 1 1   57    9   16 o   4.3380   1.2820   5.1220   1.9570   3.5540   1.6560 1.568000 2.564000 
1 1 1   57    9   17 o   4.2570   1.2480   4.1240   1.7540   4.3900   1.7740 -0.2661000 2.495000 
1 1 1   57    9   18 o   3.2890   1.0610   4.1870   1.7530   2.3910   1.1970 1.796000 2.123000 
1 1 1   57    9   19 o   2.6930   0.9417   2.3480   1.1860   3.0380   1.4630 -0.6899000 1.883000 
1 1 1   57    9   20 o   2.5390   0.8889   2.5870   1.2760   2.4910   1.2370 0.9599000E-01 1.778000 
1 1 1   57   11    0 o   18.870   0.3965   18.440   0.6318   19.300   0.4793 -0.8621000 0.7930000 
1 1 1   57   11    1 o   13.860   0.4461   13.600   0.6354   14.130   0.6263 -0.5297000 0.8922000 
1 1 1   57   11    2 o   21.060   0.3416   21.160   0.4706   20.970   0.4954 0.1873000 0.6833000 
1 1 1   57   11    3 o   8.7450   0.9975   8.8720   1.2310   8.6170   1.5700 0.2544000 1.995000 
1 1 1   57   11    4 o   7.6830   1.1350   7.5060   1.4830   7.8600   1.7190 -0.3538000 2.271000 
1 1 1   57   11    5 o   3.8960   1.1140   3.5530   1.5100   4.2380   1.6380 -0.6855000 2.228000 
1 1 1   57   11    6 o   8.9880   0.8777   8.6400   1.2710   9.3360   1.2110 -0.6966000 1.755000 
1 1 1   57   11    7 o   4.8920   1.2710   4.4860   1.7860   5.2980   1.8100 -0.8123000 2.543000 
1 1 1   57   11    8 o   4.9780   1.1790   3.8500   1.6250   6.1050   1.7080 -2.255000 2.357000 
1 1 1   57   11    9 o   6.9080   1.1430   7.8590   1.4840   5.9580   1.7380 1.901000 2.286000 
1 1 1   57   11   10 o   9.4670   0.8818   8.9900   1.3150   9.9440   1.1750 -0.9546000 1.764000 
1 1 1   57   11   11 o   3.7040   1.2000   3.7870   1.7240   3.6210   1.6700 0.1661000 2.400000 
1 1 1   57   11   12 o   4.9320   1.2890   6.3480   2.0230   3.5160   1.5990 2.832000 2.579000 
1 1 1   57   11   13 f   4.0330   1.2050   3.7280   1.6320   4.3380   1.7730 -0.6095000 2.410000 
1 1 1   57   11   14 f   4.2400   1.2410   4.1550   1.7370   4.3260   1.7730 -0.1718000 2.482000 
1 1 1   57   11   15 o   5.2470   1.2790   6.1780   1.8390   4.3160   1.7790 1.863000 2.558000 
1 1 1   57   11   16 o   3.8770   1.2330   4.1700   1.8120   3.5840   1.6720 0.5866000 2.466000 
1 1 1   57   11   17 o   3.4390   1.1240   3.8440   1.7180   3.0340   1.4500 0.8098000 2.248000 
1 1 1   57   11   18 o   3.5340   1.1470   3.0410   1.4720   4.0270   1.7600 -0.9860000 2.294000 
1 1 1   57   11   19 o   2.4590   0.8664   2.4870   1.2370   2.4320   1.2140 0.5566000E-01 1.733000 
1 1 1   57   13    0 o   6.3450   0.9605   5.2530   1.4600   7.4380   1.2490 -2.185000 1.921000 
1 1 1   57   13    1 f   20.230   0.3605   20.460   0.4912   19.990   0.5279 0.4689000 0.7210000 
1 1 1   57   13    2 o   10.370   0.6813   10.030   0.9500   10.710   0.9768 -0.6825000 1.363000 
1 1 1   57   13    3 o   11.820   0.8152   12.000   0.9842   11.650   1.3000 0.3496000 1.630000 
1 1 1   57   13    4 o   4.2090   1.1720   3.9250   1.5930   4.4920   1.7190 -0.5670000 2.343000 
1 1 1   57   13    5 o   3.7810   1.1000   4.2280   1.6070   3.3340   1.5020 0.8936000 2.200000 
1 1 1   57   13    6 o   6.4690   1.1150   7.1150   1.4040   5.8230   1.7330 1.291000 2.230000 
1 1 1   57   13    7 o   5.6500   1.2110   5.8870   1.6400   5.4120   1.7820 0.4753000 2.421000 
1 1 1   57   13    8 o   6.4650   1.1790   6.7350   1.6020   6.1960   1.7290 0.5386000 2.357000 
1 1 1   57   13    9 o   7.0700   1.1740   7.2380   1.6100   6.9020   1.7090 0.3360000 2.348000 
1 1 1   57   13   10 o   4.2300   1.2300   4.0780   1.7030   4.3820   1.7760 -0.3038000 2.461000 
1 1 1   57   13   11 o   4.9670   1.3250   3.5390   1.6530   6.3940   2.0720 -2.855000 2.651000 
1 1 1   57   13   12 o   7.0490   1.2330   7.0460   1.7450   7.0520   1.7420 -0.5814000E-02 2.466000 
1 1 1   57   13   13 o   3.8900   1.1970   3.8170   1.6750   3.9620   1.7110 -0.1449000 2.395000 
1 1 1   57   13   14 o   4.3760   1.2490   3.8740   1.6820   4.8780   1.8480 -1.003000 2.499000 
1 1 1   57   13   15 o   3.7380   1.2030   4.1280   1.7980   3.3470   1.5970 0.7802000 2.405000 
1 1 1   57   13   16 o   3.5590   1.1950   3.8980   1.7990   3.2200   1.5740 0.6775000 2.390000 
1 1 1   57   13   17 o   2.8080   0.9648   2.6900   1.3200   2.9260   1.4080 -0.2352000 1.930000 
1 1 1   57   13   18 o   2.6850   0.9288   2.7870   1.3530   2.5830   1.2730 0.2042000 1.858000 
1 1 1   57   15    0 o   7.1850   0.9021   8.0800   1.0610   6.2900   1.4600 1.790000 1.804000 
1 1 1   57   15    1 o   4.4740   1.1990   4.5560   1.6400   4.3910   1.7490 0.1644000 2.397000 
1 1 1   57   15    2 o   5.3240   1.2210   5.8340   1.6350   4.8130   1.8150 1.021000 2.442000 
1 1 1   57   15    3 o   15.090   0.4833   15.050   0.6500   15.130   0.7154 -0.7364000E-01 0.9666000 
1 1 1   57   15    4 o   15.410   0.4966   15.970   0.6481   14.850   0.7526 1.118000 0.9932000 
1 1 1   57   15    5 o   3.9030   1.1120   3.0370   1.4010   4.7690   1.7280 -1.732000 2.225000 
1 1 1   57   15    6 o   10.200   0.7568   9.9280   1.0590   10.470   1.0810 -0.5442000 1.514000 
1 1 1   57   15    7 o   3.5150   1.0970   3.0870   1.4290   3.9430   1.6650 -0.8565000 2.194000 
1 1 1   57   15    8 o   3.4340   1.0860   3.7630   1.6070   3.1060   1.4600 0.6565000 2.171000 
1 1 1   57   15    9 o   2.8640   0.9644   3.2690   1.4900   2.4590   1.2250 0.8102000 1.929000 
1 1 1   57   15   10 o   4.2750   1.2820   5.2420   2.0110   3.3070   1.5900 1.936000 2.563000 
1 1 1   57   15   11 f   3.2570   1.0650   3.7130   1.6350   2.8000   1.3640 0.9129000 2.130000 
1 1 1   57   15   12 f   4.3630   1.2350   4.9840   1.8330   3.7420   1.6550 1.242000 2.469000 
1 1 1   57   15   13 o   3.9310   1.2080   3.7470   1.6820   4.1150   1.7360 -0.3679000 2.417000 
1 1 1   57   15   14 o   3.7470   1.1850   4.3480   1.8290   3.1470   1.5070 1.201000 2.369000 
1 1 1   57   15   15 f   2.9440   1.0230   2.6220   1.3160   3.2670   1.5660 -0.6441000 2.046000 
1 1 1   57   15   16 o   2.4590   0.8667   2.3170   1.1670   2.6010   1.2820 -0.2837000 1.733000 
1 1 1   57   15   17 o   1.9310   0.7113   1.8850   0.9817   1.9780   1.0300 -0.9324000E-01 1.423000 
1 1 1   57   17    0 o   6.8560   1.1200   7.7610   1.3730   5.9520   1.7700 1.809000 2.239000 
1 1 1   57   17    1 o   11.570   0.6130   12.210   0.7863   10.930   0.9406 1.277000 1.226000 
1 1 1   57   17    2 o   16.840   0.4581   17.470   0.6223   16.210   0.6724 1.262000 0.9162000 
1 1 1   57   17    3 o   10.290   0.7315   9.3700   1.1100   11.220   0.9532 -1.849000 1.463000 
1 1 1   57   17    4 o   5.0270   1.2200   5.0190   1.7060   5.0350   1.7430 -0.1597000E-01 2.439000 
1 1 1   57   17    5 o   3.6720   1.0750   2.4440   1.2070   4.9000   1.7780 -2.456000 2.149000 
1 1 1   57   17    6 o   5.8790   1.2370   5.0930   1.7650   6.6650   1.7340 -1.572000 2.474000 
1 1 1   57   17    7 o   5.6940   1.2560   6.1990   1.7290   5.1890   1.8230 1.010000 2.512000 
1 1 1   57   17    8 o   4.4790   1.2290   3.9660   1.6630   4.9910   1.8100 -1.025000 2.458000 
1 1 1   57   17    9 o   5.3830   1.3480   3.8990   1.7640   6.8660   2.0390 -2.967000 2.696000 
1 1 1   57   17   10 o   3.9950   1.2420   4.1370   1.8250   3.8540   1.6860 0.2834000 2.485000 
1 1 1   57   17   11 o   3.2040   1.0720   2.6080   1.2920   3.7990   1.7100 -1.191000 2.143000 
1 1 1   57   17   12 o   2.6490   0.9276   2.7960   1.3680   2.5010   1.2530 0.2946000 1.855000 
1 1 1   57   17   13 o   3.3800   1.0890   3.8760   1.6740   2.8850   1.3940 0.9915000 2.178000 
1 1 1   57   17   14 o   2.5180   0.8973   2.7830   1.3780   2.2540   1.1500 0.5284000 1.795000 
1 1 1   57   17   15 f   2.3440   0.8452   2.4310   1.2280   2.2580   1.1610 0.1731000 1.690000 
1 1 1   57   19    0 o   3.4120   1.0620   3.6680   1.5620   3.1570   1.4390 0.5117000 2.124000 
1 1 1   57   19    1 o   4.1460   1.1660   4.1250   1.6520   4.1680   1.6470 -0.4289000E-01 2.333000 
1 1 1   57   19    2 o   2.9790   0.9845   2.9890   1.3920   2.9700   1.3930 0.1828000E-01 1.969000 
1 1 1   57   19    3 o   6.0330   1.1280   4.2200   1.7440   7.8470   1.4320 -3.627000 2.256000 
1 1 1   57   19    4 o   3.0120   1.0040   3.1570   1.4690   2.8670   1.3710 0.2897000 2.009000 
1 1 1   57   19    5 o   3.9180   1.1490   4.9670   1.8390   2.8700   1.3790 2.098000 2.299000 
1 1 1   57   19    6 o   3.6280   1.1630   3.8160   1.7250   3.4390   1.5620 0.3769000 2.327000 
1 1 1   57   19    7 o   4.3330   1.3350   4.4930   1.8930   4.1720   1.8830 0.3212000 2.670000 
1 1 1   57   19    8 o   4.1830   1.3820   4.2400   2.0220   4.1260   1.8850 0.1148000 2.764000 
1 1 1   57   19    9 o   8.7640   1.1920   9.2780   1.6620   8.2500   1.7100 1.029000 2.385000 
1 1 1   57   19   10 o   3.0540   1.0380   3.0960   1.5010   3.0110   1.4350 0.8498000E-01 2.077000 
1 1 1   57   19   11 o   3.5360   1.1540   3.5510   1.6600   3.5210   1.6040 0.2969000E-01 2.309000 
1 1 1   57   19   12 f   3.0740   1.4620  ?   ?    3.0740   1.4620      ?      ? 
1 1 1   57   19   13 o   1.8370   0.6765   1.8200   0.9466   1.8550   0.9666 -0.3509000E-01 1.353000 
1 1 1   57   21    0 o   3.8230   1.1610   3.6410   1.6280   4.0050   1.6550 -0.3645000 2.321000 
1 1 1   57   21    1 o   8.5190   1.0780   8.7940   1.5120   8.2440   1.5370 0.5505000 2.155000 
1 1 1   57   21    2 o   9.9430   0.9219   10.730   1.1950   9.1530   1.4040 1.580000 1.844000 
1 1 1   57   21    3 o   3.5140   1.1240   3.2310   1.5180   3.7970   1.6580 -0.5657000 2.248000 
1 1 1   57   21    4 o   3.3370   1.0780   2.6020   1.2870   4.0720   1.7300 -1.470000 2.156000 
1 1 1   57   21    5 o   3.3250   1.0970   3.4400   1.5910   3.2100   1.5100 0.2302000 2.194000 
1 1 1   57   21    6 o   3.4960   1.1900   3.6380   1.7700   3.3530   1.5920 0.2847000 2.381000 
1 1 1   57   21    7 o   2.6040   0.9206   2.4610   1.2620   2.7460   1.3410 -0.2845000 1.841000 
1 1 1   57   21    8 o   4.3490   1.2710   4.0150   1.7790   4.6840   1.8140 -0.6689000 2.541000 
1 1 1   57   21    9 o   2.6150   0.9169   2.8670   1.3990   2.3640   1.1850 0.5025000 1.834000 
1 1 1   57   21   10 o   2.2340   0.8073   2.2610   1.1460   2.2070   1.1380 0.5391000E-01 1.615000 
1 1 1   57   23    0 o   3.5260   1.1190   3.6040   1.6290   3.4470   1.5340 0.1574000 2.237000 
1 1 1   57   23    1 o   3.0090   1.0010   2.7810   1.3480   3.2370   1.4810 -0.4563000 2.003000 
1 1 1   57   23    2 o   2.8200   0.9515   2.3210   1.1580   3.3180   1.5100 -0.9968000 1.903000 
1 1 1   57   23    3 o   2.4050   0.8570   2.2780   1.1380   2.5310   1.2820 -0.2533000 1.714000 
1 1 1   57   23    4 o   2.1990   0.7915   2.1940   1.1170   2.2050   1.1210 -0.1086000E-01 1.583000 
1 1 1   57   23    5 o   4.1640   1.2250   5.0410   1.9360   3.2870   1.5010 1.754000 2.449000 
1 1 1   57   23    6 o   2.2110   0.8055   1.9260   0.9883   2.4960   1.2720 -0.5695000 1.611000 
1 1 1   58    0    0 o   2.9720   1.8840   2.9720   1.8840   2.9720   1.8840 0.000000 0.000000 
1 1 1   58    0    1 o   11.040   0.7617   11.040   0.7617   11.040   0.7617 0.000000 0.000000 
1 1 1   58    0    2 o   17.160   0.5521   17.160   0.5521   17.160   0.5521 0.000000 0.000000 
1 1 1   58    0    3 o   13.700   0.6791   13.700   0.6791   13.700   0.6791 0.000000 0.000000 
1 1 1   58    0    4 o   6.4040   1.6720   6.4040   1.6720   6.4040   1.6720 0.000000 0.000000 
1 1 1   58    0    5 o   2.0860   1.4260   2.0860   1.4260   2.0860   1.4260 0.000000 0.000000 
1 1 1   58    0    6 o   2.2810   1.5290   2.2810   1.5290   2.2810   1.5290 -0.000000 0.000000 
1 1 1   58    0    7 o   1.3810   1.0160   1.3810   1.0160   1.3810   1.0160 -0.000000 0.000000 
1 1 1   58    0    8 o   2.1030   1.4510   2.1030   1.4510   2.1030   1.4510 -0.000000 0.000000 
1 1 1   58    0    9 o   2.6140   1.7050   2.6140   1.7050   2.6140   1.7050 -0.000000 0.000000 
1 1 1   58    0   10 o   2.0390   1.4600   2.0390   1.4600   2.0390   1.4600 -0.000000 0.000000 
1 1 1   58    0   11 o   2.7110   1.7620   2.7110   1.7620   2.7110   1.7620 0.000000 0.000000 
1 1 1   58    0   12 o   2.9720   1.8700   2.9720   1.8700   2.9720   1.8700 -0.000000 0.000000 
1 1 1   58    0   13 o   2.2850   1.5720   2.2850   1.5720   2.2850   1.5720 -0.000000 0.000000 
1 1 1   58    0   14 o   2.6950   1.7810   2.6950   1.7810   2.6950   1.7810 0.000000 0.000000 
1 1 1   58    0   15 o   3.0990   2.1030   3.0990   2.1030   3.0990   2.1030 -0.000000 0.000000 
1 1 1   58    0   16 o   8.0040   1.8650   8.0040   1.8650   8.0040   1.8650 -0.000000 0.000000 
1 1 1   58    0   17 o   5.9590   2.2900   5.9590   2.2900   5.9590   2.2900 -0.000000 0.000000 
1 1 1   58    0   18 f   3.0310   1.9350   3.0310   1.9350   3.0310   1.9350 0.000000 0.000000 
1 1 1   58    0   19 o   1.6300   1.1960   1.6300   1.1960   1.6300   1.1960 0.000000 0.000000 
1 1 1   58    0   20 o   2.7270   1.8050   2.7270   1.8050   2.7270   1.8050 0.000000 0.000000 
1 1 1   58    0   21 o   2.1390   1.5080   2.1390   1.5080   2.1390   1.5080 0.000000 0.000000 
1 1 1   58    2    0 o   5.5260   0.9228   4.1210   1.4880   6.9300   1.0920 -2.809000 1.846000 
1 1 1   58    2    1 o   10.970   0.5433   11.170   0.7453   10.760   0.7907 0.4146000 1.087000 
1 1 1   58    2    2 o   7.0360   1.1980   7.8440   1.5570   6.2270   1.8210 1.618000 2.396000 
1 1 1   58    2    3 o   12.160   0.5407   11.680   0.8035   12.640   0.7239 -0.9635000 1.081000 
1 1 1   58    2    4 o   13.950   0.4897   14.630   0.6765   13.260   0.7082 1.363000 0.9794000 
1 1 1   58    2    5 o   3.8950   1.0820   3.1730   1.4330   4.6160   1.6210 -1.443000 2.164000 
1 1 1   58    2    6 o   6.7830   1.0280   7.9950   1.2870   5.5720   1.6030 2.422000 2.056000 
1 1 1   58    2    7 o   5.5770   1.0770   3.9260   1.6120   7.2270   1.4290 -3.300000 2.154000 
1 1 1   58    2    8 o   12.100   0.6481   12.330   0.9364   11.880   0.8964 0.4557000 1.296000 
1 1 1   58    2    9 o   5.3750   1.2630   6.0980   1.7980   4.6510   1.7750 1.446000 2.527000 
1 1 1   58    2   10 o   10.300   0.8370   10.040   1.1590   10.560   1.2080 -0.5236000 1.674000 
1 1 1   58    2   11 o   8.1590   1.1400   9.5290   1.3850   6.7900   1.8100 2.740000 2.279000 
1 1 1   58    2   12 f   6.3790   1.2320   6.7990   1.6790   5.9590   1.8030 0.8402000 2.464000 
1 1 1   58    2   13 o   4.9550   1.0950   7.0210   1.6920   2.8880   1.3910 4.133000 2.190000 
1 1 1   58    2   14 o   4.1530   1.2650   4.9930   1.9830   3.3140   1.5700 1.680000 2.529000 
1 1 1   58    2   15 o   3.5180   1.1640   3.8830   1.7470   3.1530   1.5390 0.7293000 2.328000 
1 1 1   58    2   16 f   3.5320   1.1690   3.5170   1.6440   3.5460   1.6620 -0.2948000E-01 2.337000 
1 1 1   58    2   17 o   3.2340   1.0740   2.8630   1.3950   3.6050   1.6330 -0.7413000 2.148000 
1 1 1   58    2   18 o   4.3010   1.2360   3.4500   1.5930   5.1520   1.8910 -1.701000 2.473000 
1 1 1   58    2   19 o   3.3340   1.0980   3.4770   1.5970   3.1920   1.5060 0.2850000 2.195000 
1 1 1   58    2   20 o   2.7510   0.9508   3.4390   1.5840   2.0630   1.0530 1.376000 1.902000 
1 1 1   58    2   21 o   2.8360   0.9773   3.2040   1.5140   2.4690   1.2360 0.7357000 1.955000 
1 1 1   58    4    0 o   17.590   0.3276   17.060   0.4832   18.120   0.4425 -1.062000 0.6552000 
1 1 1   58    4    1 o   5.8810   0.9331   4.9160   1.4740   6.8460   1.1440 -1.930000 1.866000 
1 1 1   58    4    2 o   10.740   0.5467   10.520   0.7927   10.960   0.7530 -0.4394000 1.093000 
1 1 1   58    4    3 o   8.3830   1.1310   7.1850   1.7920   9.5810   1.3800 -2.396000 2.262000 
1 1 1   58    4    4 o   9.1050   0.7270   9.4510   1.0320   8.7580   1.0240 0.6936000 1.454000 
1 1 1   58    4    5 o   2.5500   0.8681   3.1050   1.4160   1.9960   1.0040 1.109000 1.736000 
1 1 1   58    4    6 o   5.2400   1.1230   4.2700   1.6530   6.2110   1.5200 -1.941000 2.246000 
1 1 1   58    4    7 o   7.3150   1.0670   6.2880   1.6850   8.3410   1.3080 -2.053000 2.133000 
1 1 1   58    4    8 o   14.230   0.5805   14.000   0.8336   14.460   0.8082 -0.4676000 1.161000 
1 1 1   58    4    9 o   8.7930   0.8988   9.4020   1.1700   8.1850   1.3640 1.217000 1.798000 
1 1 1   58    4   10 o   11.720   0.6815   12.170   0.9400   11.280   0.9870 0.8975000 1.363000 
1 1 1   58    4   11 o   4.7590   1.2560   3.5480   1.6320   5.9700   1.9100 -2.422000 2.513000 
1 1 1   58    4   12 o   4.5520   1.2050   5.4890   1.7980   3.6160   1.6070 1.873000 2.411000 
1 1 1   58    4   13 o   3.4050   1.1290   3.3880   1.5980   3.4220   1.5940 -0.3364000E-01 2.257000 
1 1 1   58    4   14 o   4.0750   1.2120   4.4060   1.7690   3.7440   1.6570 0.6622000 2.424000 
1 1 1   58    4   15 o   3.5970   1.1490   3.6660   1.6390   3.5280   1.6110 0.1384000 2.298000 
1 1 1   58    4   16 o   3.4750   1.1610   3.3210   1.5860   3.6280   1.6960 -0.3069000 2.322000 
1 1 1   58    4   17 o   3.7650   1.1880   3.9130   1.7130   3.6170   1.6450 0.2959000 2.375000 
1 1 1   58    4   18 o   4.3040   1.2570   3.7370   1.6640   4.8720   1.8850 -1.135000 2.514000 
1 1 1   58    4   19 o   3.4900   1.1270   3.8700   1.7010   3.1110   1.4790 0.7586000 2.254000 
1 1 1   58    4   20 o   2.6170   0.9149   2.6780   1.3200   2.5550   1.2670 0.1236000 1.830000 
1 1 1   58    4   21 o   2.4350   0.8710   2.6700   1.3320   2.1990   1.1220 0.4707000 1.742000 
1 1 1   58    6    0 o   10.980   0.4834   11.200   0.7351   10.750   0.6278 0.4467000 0.9667000 
1 1 1   58    6    1 o   5.4430   0.9305   6.1810   1.2420   4.7040   1.3860 1.477000 1.861000 
1 1 1   58    6    2 o   6.8280   0.8536   6.4140   1.2670   7.2430   1.1440 -0.8294000 1.707000 
1 1 1   58    6    3 o   3.0690   1.0200   2.5330   1.2050   3.6050   1.6470 -1.072000 2.041000 
1 1 1   58    6    4 o   4.4070   1.2860   3.8970   1.7220   4.9180   1.9120 -1.020000 2.573000 
1 1 1   58    6    5 o   9.2240   0.8187   8.9980   1.2130   9.4500   1.0990 -0.4523000 1.637000 
1 1 1   58    6    6 f   8.5270   0.9279   7.8540   1.4420   9.2010   1.1680 -1.347000 1.856000 
1 1 1   58    6    7 o   6.3100   1.1260   7.0440   1.5140   5.5750   1.6660 1.469000 2.251000 
1 1 1   58    6    8 o   8.7410   0.8986   9.4090   1.1640   8.0730   1.3700 1.336000 1.797000 
1 1 1   58    6    9 f   4.1860   1.1790   3.6570   1.5930   4.7160   1.7380 -1.059000 2.358000 
1 1 1   58    6   10 o   8.0540   1.0100   7.1510   1.6030   8.9560   1.2300 -1.804000 2.020000 
1 1 1   58    6   11 o   7.2100   1.4710   6.4880   2.1970   7.9330   1.9560 -1.445000 2.942000 
1 1 1   58    6   12 o   5.4290   1.3940   3.9270   1.8070   6.9310   2.1220 -3.003000 2.788000 
1 1 1   58    6   13 o   4.2470   1.2190   4.5250   1.7370   3.9690   1.7120 0.5557000 2.439000 
1 1 1   58    6   14 o   3.2250   1.0650   3.3360   1.5340   3.1150   1.4770 0.2209000 2.130000 
1 1 1   58    6   15 o   4.1220   1.2220   3.5430   1.6070   4.7010   1.8420 -1.158000 2.444000 
1 1 1   58    6   16 o   4.1610   1.2910   4.3820   1.8700   3.9410   1.7820 0.4416000 2.583000 
1 1 1   58    6   17 o   3.0510   1.0300   3.4440   1.5900   2.6590   1.3100 0.7854000 2.060000 
1 1 1   58    6   18 f   3.3200   1.0910   2.9890   1.4360   3.6510   1.6440 -0.6617000 2.183000 
1 1 1   58    6   19 o   2.8560   0.9794   2.5780   1.2780   3.1350   1.4840 -0.5571000 1.959000 
1 1 1   58    6   20 o   2.5040   0.8899   2.2790   1.1560   2.7290   1.3530 -0.4502000 1.780000 
1 1 1   58    8    0 o   3.4040   1.0000   3.4070   1.4290   3.4010   1.4000 0.6287000E-02 2.001000 
1 1 1   58    8    1 o   11.800   0.4959   11.470   0.7291   12.120   0.6723 -0.6561000 0.9917000 
1 1 1   58    8    2 o   2.6690   0.8826   3.0450   1.3680   2.2920   1.1150 0.7530000 1.765000 
1 1 1   58    8    3 o   3.6790   1.0670   4.0280   1.5690   3.3300   1.4470 0.6982000 2.135000 
1 1 1   58    8    4 o   9.0380   1.0410   10.420   1.1150   7.6580   1.7570 2.760000 2.081000 
1 1 1   58    8    5 o   10.080   0.7120   10.280   1.0480   9.8780   0.9639 0.3981000 1.424000 
1 1 1   58    8    6 o   5.9440   1.1350   6.1950   1.5880   5.6940   1.6230 0.5012000 2.271000 
1 1 1   58    8    7 o   3.5070   1.0800   3.1150   1.4370   3.8990   1.6120 -0.7831000 2.159000 
1 1 1   58    8    8 o   10.690   0.7414   10.230   1.0890   11.150   1.0070 -0.9114000 1.483000 
1 1 1   58    8    9 o   10.590   0.8720   11.520   1.1400   9.6660   1.3200 1.855000 1.744000 
1 1 1   58    8   10 o   4.3120   1.2560   4.7530   1.8630   3.8700   1.6860 0.8837000 2.513000 
1 1 1   58    8   11 o   4.0790   1.1760   4.9520   1.7900   3.2060   1.5250 1.746000 2.351000 
1 1 1   58    8   12 o   6.4980   1.3620   7.3720   1.8700   5.6230   1.9800 1.749000 2.724000 
1 1 1   58    8   13 o   4.4120   1.2500   4.1940   1.7150   4.6300   1.8190 -0.4367000 2.500000 
1 1 1   58    8   14 o   3.8780   1.1990   3.4020   1.5910   4.3540   1.7930 -0.9516000 2.398000 
1 1 1   58    8   15 o   4.3430   1.2500   4.6420   1.8150   4.0450   1.7190 0.5964000 2.500000 
1 1 1   58    8   16 f   3.4730   1.1470   3.7670   1.7050   3.1800   1.5350 0.5867000 2.294000 
1 1 1   58    8   17 o   4.4390   1.2500   5.0590   1.8620   3.8200   1.6690 1.239000 2.501000 
1 1 1   58    8   18 o   2.5070   0.8821   2.7110   1.3300   2.3020   1.1590 0.4090000 1.764000 
1 1 1   58    8   19 o   3.1350   1.0600   3.4720   1.6120   2.7980   1.3770 0.6731000 2.120000 
1 1 1   58    8   20 o   2.7450   0.9687   2.5910   1.2930   2.8990   1.4430 -0.3082000 1.937000 
1 1 1   58   10    0 o   15.120   0.4992   14.920   0.7284   15.320   0.6830 -0.3983000 0.9985000 
1 1 1   58   10    1 o   7.6400   0.7850   6.7050   1.2370   8.5750   0.9668 -1.871000 1.570000 
1 1 1   58   10    2 o   4.4620   1.0640   5.1550   1.5190   3.7680   1.4920 1.387000 2.129000 
1 1 1   58   10    3 o   12.370   0.5195   12.470   0.7159   12.280   0.7531 0.1827000 1.039000 
1 1 1   58   10    4 o   5.9070   1.3170   6.0790   1.7560   5.7350   1.9650 0.3437000 2.635000 
1 1 1   58   10    5 o   10.770   0.6497   9.9310   0.9712   11.610   0.8631 -1.674000 1.299000 
1 1 1   58   10    6 o   5.5050   1.1210   6.6090   1.5110   4.4020   1.6570 2.207000 2.242000 
1 1 1   58   10    7 o   3.3130   1.0970   3.2060   1.5610   3.4200   1.5420 -0.2138000 2.194000 
1 1 1   58   10    8 o   8.0090   1.2380   5.7190   2.1690   10.300   1.1920 -4.579000 2.475000 
1 1 1   58   10    9 o   5.1380   1.2540   4.8000   1.7580   5.4760   1.7890 -0.6764000 2.508000 
1 1 1   58   10   10 o   6.0940   1.1560   4.4020   1.7420   7.7860   1.5210 -3.384000 2.312000 
1 1 1   58   10   11 o   3.7200   1.1940   3.4110   1.6020   4.0290   1.7710 -0.6184000 2.388000 
1 1 1   58   10   12 o   4.4410   1.2940   4.7510   1.9170   4.1300   1.7370 0.6210000 2.587000 
1 1 1   58   10   13 o   4.2270   1.2270   4.1320   1.7100   4.3210   1.7590 -0.1887000 2.453000 
1 1 1   58   10   14 o   6.5110   1.2560   6.8130   1.7460   6.2080   1.8050 0.6050000 2.511000 
1 1 1   58   10   15 o   2.9030   0.9905   2.8770   1.3940   2.9280   1.4080 -0.5033000E-01 1.981000 
1 1 1   58   10   16 o   3.0290   1.0400   3.3540   1.5830   2.7040   1.3500 0.6494000 2.080000 
1 1 1   58   10   17 f   2.8560   0.9785   2.8700   1.3880   2.8420   1.3800 0.2779000E-01 1.957000 
1 1 1   58   10   18 o   2.8600   0.9890   2.4630   1.2360   3.2560   1.5440 -0.7929000 1.978000 
1 1 1   58   10   19 o   2.3120   0.8205   2.2600   1.1380   2.3630   1.1830 -0.1035000 1.641000 
1 1 1   58   12    0 o   19.700   0.3448   19.270   0.4610   20.130   0.5128 -0.8601000 0.6896000 
1 1 1   58   12    1 o   11.930   0.5302   12.230   0.7063   11.630   0.7908 0.6006000 1.060000 
1 1 1   58   12    2 o   9.8260   0.6665   10.370   0.8725   9.2860   1.0080 1.082000 1.333000 
1 1 1   58   12    3 o   3.8410   1.1430   2.7010   1.3010   4.9820   1.8800 -2.282000 2.286000 
1 1 1   58   12    4 o   3.1260   1.0100   3.2780   1.4580   2.9750   1.3980 0.3034000 2.019000 
1 1 1   58   12    5 o   4.9940   1.2090   4.5120   1.6730   5.4760   1.7460 -0.9641000 2.419000 
1 1 1   58   12    6 o   3.6960   1.1100   3.7520   1.5640   3.6400   1.5750 0.1112000 2.220000 
1 1 1   58   12    7 o   7.5610   1.0060   6.8730   1.5070   8.2490   1.3330 -1.376000 2.012000 
1 1 1   58   12    8 o   9.0370   0.8893   9.1440   1.2280   8.9310   1.2870 0.2129000 1.779000 
1 1 1   58   12    9 o   13.650   0.6129   14.340   0.8219   12.960   0.9093 1.381000 1.226000 
1 1 1   58   12   10 o   3.4820   1.1130   3.3060   1.5150   3.6580   1.6300 -0.3525000 2.226000 
1 1 1   58   12   11 o   4.7160   1.2900   6.0160   2.0080   3.4160   1.6200 2.600000 2.580000 
1 1 1   58   12   12 o   3.7120   1.1610   3.4250   1.5680   3.9990   1.7110 -0.5739000 2.321000 
1 1 1   58   12   13 f   4.3250   1.2260   4.9920   1.8280   3.6570   1.6340 1.335000 2.452000 
1 1 1   58   12   14 o   2.9890   1.0090   3.2340   1.5110   2.7440   1.3380 0.4899000 2.018000 
1 1 1   58   12   15 o   3.7940   1.1810   4.3370   1.7780   3.2510   1.5560 1.086000 2.363000 
1 1 1   58   12   16 o   4.1030   1.3040   3.6600   1.7190   4.5460   1.9610 -0.8860000 2.608000 
1 1 1   58   12   17 o   2.7000   0.9417   2.5560   1.2760   2.8440   1.3850 -0.2886000 1.883000 
1 1 1   58   12   18 o   2.4490   0.8622   2.4460   1.2190   2.4520   1.2190 -0.5525000E-02 1.724000 
1 1 1   58   14    0 f   4.6370   1.1130   4.2120   1.5300   5.0630   1.6170 -0.8511000 2.226000 
1 1 1   58   14    1 o   7.6310   0.9637   10.140   0.9290   5.1180   1.6890 5.025000 1.927000 
1 1 1   58   14    2 o   5.7010   1.2570   5.8170   1.6740   5.5840   1.8760 0.2327000 2.514000 
1 1 1   58   14    3 o   8.9640   0.8338   9.8820   1.0770   8.0450   1.2730 1.837000 1.668000 
1 1 1   58   14    4 o   4.6930   1.1460   5.3310   1.6040   4.0550   1.6370 1.276000 2.292000 
1 1 1   58   14    5 o   4.0140   1.1070   4.7820   1.6490   3.2470   1.4790 1.536000 2.215000 
1 1 1   58   14    6 o   5.6510   1.1500   6.8940   1.5360   4.4080   1.7120 2.486000 2.300000 
1 1 1   58   14    7 o   8.0450   1.0160   8.8950   1.2410   7.1950   1.6100 1.700000 2.033000 
1 1 1   58   14    8 o   3.5480   1.1100   3.5540   1.5580   3.5410   1.5830 0.1227000E-01 2.221000 
1 1 1   58   14    9 o   5.6450   1.3030   6.0110   1.8600   5.2800   1.8260 0.7314000 2.607000 
1 1 1   58   14   10 o   3.4200   1.1440   3.2720   1.5700   3.5670   1.6660 -0.2955000 2.289000 
1 1 1   58   14   11 o   4.4200   1.3330   4.0960   1.8140   4.7440   1.9540 -0.6479000 2.666000 
1 1 1   58   14   12 o   4.1140   1.2190   4.4240   1.7750   3.8040   1.6730 0.6202000 2.439000 
1 1 1   58   14   13 o   3.7250   1.1670   3.6170   1.6190   3.8320   1.6800 -0.2146000 2.333000 
1 1 1   58   14   14 o   2.9340   1.0060   3.1930   1.5140   2.6750   1.3260 0.5175000 2.012000 
1 1 1   58   14   15 o   2.4240   0.8730   2.3400   1.1960   2.5070   1.2720 -0.1662000 1.746000 
1 1 1   58   14   16 o   2.5220   0.8842   2.3530   1.1800   2.6910   1.3170 -0.3377000 1.768000 
1 1 1   58   14   17 f   2.4850   0.8961   2.2780   1.1690   2.6920   1.3580 -0.4141000 1.792000 
1 1 1   58   16    0 o   11.860   0.6636   12.090   0.8623   11.620   1.0090 0.4687000 1.327000 
1 1 1   58   16    1 o   8.8900   0.9476   9.7470   1.1070   8.0340   1.5380 1.714000 1.895000 
1 1 1   58   16    2 o   16.080   0.4586   16.510   0.6197   15.650   0.6762 0.8619000 0.9172000 
1 1 1   58   16    3 o   8.5200   0.9028   9.2830   1.1290   7.7560   1.4100 1.527000 1.806000 
1 1 1   58   16    4 o   4.0350   1.1210   3.0080   1.3990   5.0620   1.7520 -2.054000 2.242000 
1 1 1   58   16    5 f   3.5570   1.0780   4.3120   1.6860   2.8030   1.3450 1.508000 2.156000 
1 1 1   58   16    6 o   8.9210   0.9459   9.9870   1.1310   7.8540   1.5170 2.132000 1.892000 
1 1 1   58   16    7 o   3.8540   1.1520   3.2570   1.4880   4.4510   1.7580 -1.194000 2.304000 
1 1 1   58   16    8 o   5.2760   1.2340   4.4940   1.7170   6.0590   1.7730 -1.565000 2.468000 
1 1 1   58   16    9 o   3.2520   1.0870   2.8980   1.3800   3.6070   1.6800 -0.7086000 2.175000 
1 1 1   58   16   10 o   3.5120   1.1650   3.6790   1.7000   3.3450   1.5940 0.3339000 2.330000 
1 1 1   58   16   11 o   3.3210   1.0830   2.8700   1.3820   3.7720   1.6670 -0.9021000 2.165000 
1 1 1   58   16   12 o   4.1070   1.2200   4.9780   1.8940   3.2360   1.5370 1.742000 2.439000 
1 1 1   58   16   13 o   2.8730   0.9899   3.2150   1.5240   2.5310   1.2630 0.6842000 1.980000 
1 1 1   58   16   14 o   2.8070   0.9827   3.0260   1.4770   2.5890   1.2960 0.4371000 1.965000 
1 1 1   58   16   15 f   2.0630   0.7493   1.9030   0.9807   2.2240   1.1330 -0.3208000 1.499000 
1 1 1   58   18    0 o   5.2950   1.1520   5.2320   1.5760   5.3570   1.6810 -0.1255000 2.304000 
1 1 1   58   18    1 o   5.3140   1.1870   4.9980   1.6510   5.6300   1.7070 -0.6322000 2.375000 
1 1 1   58   18    2 o   5.2000   1.1630   4.1080   1.6490   6.2910   1.6410 -2.183000 2.326000 
1 1 1   58   18    3 o   3.0420   0.9974   3.3680   1.5020   2.7170   1.3130 0.6514000 1.995000 
1 1 1   58   18    4 o   5.2510   1.2250   5.8860   1.7170   4.6160   1.7470 1.271000 2.450000 
1 1 1   58   18    5 o   4.6570   1.2050   5.4560   1.7510   3.8590   1.6570 1.598000 2.411000 
1 1 1   58   18    6 o   4.8230   1.2510   5.0890   1.7640   4.5560   1.7750 0.5329000 2.502000 
1 1 1   58   18    7 o   3.7960   1.0920   2.4950   1.2330   5.0960   1.8020 -2.601000 2.183000 
1 1 1   58   18    8 o   3.2340   1.0920   4.0710   1.8150   2.3970   1.2130 1.674000 2.183000 
1 1 1   58   18    9 o   3.3560   1.1390   2.6770   1.3470   4.0360   1.8370 -1.358000 2.278000 
1 1 1   58   18   10 o   3.5800   1.1460   3.9270   1.7020   3.2330   1.5360 0.6937000 2.292000 
1 1 1   58   18   11 o   2.8970   0.9859   2.7830   1.3480   3.0100   1.4390 -0.2275000 1.972000 
1 1 1   58   18   12 o   2.5520   0.8944   2.9200   1.3980   2.1840   1.1160 0.7359000 1.789000 
1 1 1   58   18   13 o   2.4550   0.8760   2.4120   1.2190   2.4980   1.2590 -0.8594000E-01 1.752000 
1 1 1   58   20    0 o   5.9330   1.1030   7.4350   1.4210   4.4310   1.6870 3.004000 2.206000 
1 1 1   58   20    1 o   5.7000   1.1230   7.2120   1.4740   4.1870   1.6950 3.025000 2.247000 
1 1 1   58   20    2 o   7.4830   1.0590   7.2490   1.5020   7.7160   1.4940 -0.4677000 2.118000 
1 1 1   58   20    3 o   3.9110   1.1530   4.1390   1.6570   3.6830   1.6040 0.4556000 2.306000 
1 1 1   58   20    4 o   4.8730   1.2730   5.0630   1.7930   4.6840   1.8080 0.3794000 2.546000 
1 1 1   58   20    5 o   3.4040   1.1020   3.2420   1.5020   3.5670   1.6120 -0.3247000 2.204000 
1 1 1   58   20    6 o   4.0740   1.2210   3.6480   1.6290   4.4990   1.8200 -0.8512000 2.442000 
1 1 1   58   20    7 o   2.7630   0.9706   3.1950   1.5320   2.3320   1.1920 0.8637000 1.941000 
1 1 1   58   20    8 o   2.7700   0.9659   3.0380   1.4780   2.5030   1.2440 0.5345000 1.932000 
1 1 1   58   20    9 o   2.0870   0.7515   2.0090   1.0270   2.1650   1.0970 -0.1561000 1.503000 
1 1 1   58   20   10 o   2.5280   0.8890   2.5060   1.2500   2.5500   1.2640 -0.4406000E-01 1.778000 
1 1 1   58   20   11 o   1.3650   0.7127  ?   ?    1.3650   0.7127      ?      ? 
1 1 1   58   22    0 o   3.2330   1.0530   3.3000   1.5090   3.1650   1.4700 0.1349000 2.106000 
1 1 1   58   22    1 o   3.8730   1.1620   4.2250   1.7050   3.5210   1.5790 0.7040000 2.324000 
1 1 1   58   22    2 o   3.6750   1.1540   3.9010   1.7230   3.4490   1.5370 0.4521000 2.309000 
1 1 1   58   22    3 o   3.0770   1.0340   3.3240   1.5570   2.8290   1.3600 0.4942000 2.068000 
1 1 1   58   22    4 o   2.2880   0.8154   2.3920   1.2020   2.1850   1.1020 0.2067000 1.631000 
1 1 1   58   22    5 o   2.7940   0.9908   2.8360   1.4370   2.7530   1.3640 0.8348000E-01 1.982000 
1 1 1   58   22    6 o   2.8670   1.0040   2.9970   1.5090   2.7360   1.3240 0.2613000 2.008000 
1 1 1   58   22    7 o   2.6760   0.9371   3.0350   1.4720   2.3170   1.1600 0.7175000 1.874000 
1 1 1   58   24    0 o   2.9270   0.9909   3.2200   1.5050   2.6340   1.2900 0.5862000 1.982000 
1 1 1   58   24    1 o   2.3900   0.8466   2.7870   1.3580   1.9930   1.0110 0.7937000 1.693000 
1 1 1   59    1    0 o   15.150   0.4508   15.020   0.5741   15.280   0.6952 -0.2656000 0.9016000 
1 1 1   59    1    1 o   7.6270   1.1360   8.6770   1.1130   6.5770   1.9810 2.099000 2.272000 
1 1 1   59    1    2 o   6.4650   0.9697   5.5980   1.5210   7.3320   1.2030 -1.735000 1.939000 
1 1 1   59    1    3 o   9.5960   0.6733   9.9000   0.9218   9.2920   0.9816 0.6082000 1.347000 
1 1 1   59    1    4 o   8.2640   0.8170   8.5000   1.1310   8.0290   1.1800 0.4715000 1.634000 
1 1 1   59    1    5 o   4.0700   1.1260   4.0830   1.5990   4.0570   1.5850 0.2580000E-01 2.251000 
1 1 1   59    1    6 o   6.4620   1.0810   6.4050   1.5300   6.5180   1.5280 -0.1137000 2.162000 
1 1 1   59    1    7 o   7.9930   0.9204   7.8350   1.3070   8.1510   1.2960 -0.3163000 1.841000 
1 1 1   59    1    8 o   9.3460   0.8237   9.9050   1.1050   8.7880   1.2220 1.117000 1.647000 
1 1 1   59    1    9 o   6.4220   1.2540   5.7210   1.8470   7.1220   1.6950 -1.400000 2.507000 
1 1 1   59    1   10 o   9.5030   1.0670   7.6220   1.7000   11.380   1.2900 -3.763000 2.134000 
1 1 1   59    1   11 o   4.6550   1.2520   4.9980   1.8100   4.3130   1.7290 0.6851000 2.503000 
1 1 1   59    1   12 o   3.8630   1.1780   4.1150   1.7180   3.6100   1.6130 0.5044000 2.356000 
1 1 1   59    1   13 o   4.5560   1.1830   3.1140   1.4670   5.9980   1.8550 -2.884000 2.365000 
1 1 1   59    1   14 o   3.3350   1.1260   3.4770   1.6480   3.1930   1.5340 0.2838000 2.251000 
1 1 1   59    1   15 o   3.1150   1.0710   3.3040   1.5830   2.9260   1.4440 0.3785000 2.143000 
1 1 1   59    1   16 o   4.6610   1.2890   5.3050   1.9020   4.0170   1.7400 1.288000 2.577000 
1 1 1   59    1   17 o   2.9410   1.0060   2.8460   1.3860   3.0360   1.4590 -0.1897000 2.012000 
1 1 1   59    1   18 o   4.0430   1.1720   5.2700   1.9000   2.8170   1.3740 2.453000 2.344000 
1 1 1   59    1   19 f   2.8930   0.9919   2.8720   1.3950   2.9150   1.4110 -0.4271000E-01 1.984000 
1 1 1   59    1   20 o   2.6050   0.9122   2.5080   1.2520   2.7020   1.3270 -0.1943000 1.824000 
1 1 1   59    1   21 o   3.1040   1.0600   3.8720   1.7580   2.3370   1.1860 1.535000 2.120000 
1 1 1   59    3    0 o   9.1810   0.5911   8.9150   0.8919   9.4480   0.7759 -0.5330000 1.182000 
1 1 1   59    3    1 o   7.6320   0.8463   5.0960   1.4960   10.170   0.7915 -5.072000 1.693000 
1 1 1   59    3    2 o   11.890   0.7004   12.490   0.8452   11.300   1.1170 1.193000 1.401000 
1 1 1   59    3    3 o   12.270   0.6067   12.210   0.9496   12.330   0.7554 -0.1187000 1.213000 
1 1 1   59    3    4 o   11.790   0.5665   11.960   0.8129   11.620   0.7892 0.3333000 1.133000 
1 1 1   59    3    5 o   4.1910   1.1340   4.6100   1.6590   3.7710   1.5470 0.8383000 2.268000 
1 1 1   59    3    6 o   12.120   0.5942   12.320   0.8428   11.920   0.8378 0.3971000 1.188000 
1 1 1   59    3    7 f   7.0320   1.0930   6.8120   1.6530   7.2530   1.4310 -0.4405000 2.186000 
1 1 1   59    3    8 o   6.1430   1.2210   7.2660   1.6460   5.0210   1.8040 2.245000 2.442000 
1 1 1   59    3    9 o   5.7310   1.2260   5.1190   1.7800   6.3430   1.6860 -1.224000 2.451000 
1 1 1   59    3   10 o   10.880   0.7608   10.860   1.0720   10.890   1.0800 -0.2237000E-01 1.522000 
1 1 1   59    3   11 o   12.410   0.7643   12.220   1.0860   12.600   1.0760 -0.3777000 1.529000 
1 1 1   59    3   12 o   2.7720   0.9470   3.2490   1.5020   2.2940   1.1530 0.9557000 1.894000 
1 1 1   59    3   13 o   4.0500   1.2550   3.6710   1.6940   4.4290   1.8530 -0.7579000 2.510000 
1 1 1   59    3   14 o   4.7360   1.3290   4.5810   1.8170   4.8920   1.9390 -0.3101000 2.658000 
1 1 1   59    3   15 o   3.8920   1.2330   4.5410   1.9030   3.2430   1.5680 1.298000 2.466000 
1 1 1   59    3   16 o   3.8800   1.2320   3.2420   1.5600   4.5180   1.9070 -1.276000 2.463000 
1 1 1   59    3   17 o   3.4120   1.1170   3.3750   1.5710   3.4490   1.5880 -0.7348000E-01 2.234000 
1 1 1   59    3   18 o   3.3730   1.1080   3.3080   1.5450   3.4380   1.5890 -0.1297000 2.216000 
1 1 1   59    3   19 o   3.4050   1.0930   2.6170   1.2990   4.1930   1.7580 -1.577000 2.186000 
1 1 1   59    3   20 o   2.6190   0.9158   2.3550   1.1860   2.8840   1.3960 -0.5286000 1.832000 
1 1 1   59    5    0 o   18.690   0.3025   18.420   0.4340   18.950   0.4216 -0.5231000 0.6050000 
1 1 1   59    5    1 o   7.1360   0.7485   7.2460   1.0770   7.0270   1.0400 0.2193000 1.497000 
1 1 1   59    5    2 o   4.0560   1.0560   3.7910   1.4660   4.3220   1.5220 -0.5304000 2.113000 
1 1 1   59    5    3 o   8.9170   1.0050   8.9750   1.2780   8.8590   1.5500 0.1164000 2.009000 
1 1 1   59    5    4 o   7.8370   0.8655   7.8060   1.2690   7.8690   1.1780 -0.6292000E-01 1.731000 
1 1 1   59    5    5 f   3.5070   1.0740   3.6060   1.5650   3.4090   1.4710 0.1968000 2.148000 
1 1 1   59    5    6 o   10.620   0.7435   11.120   1.0130   10.120   1.0890 0.9998000 1.487000 
1 1 1   59    5    7 o   5.3850   1.2370   5.2710   1.7160   5.4980   1.7820 -0.2268000 2.474000 
1 1 1   59    5    8 o   6.3780   1.1660   6.2250   1.6630   6.5310   1.6350 -0.3057000 2.332000 
1 1 1   59    5    9 o   5.6490   1.2230   5.8630   1.7110   5.4360   1.7490 0.4278000 2.447000 
1 1 1   59    5   10 o   5.2530   1.2430   5.4350   1.7750   5.0710   1.7410 0.3638000 2.486000 
1 1 1   59    5   11 o   4.2690   1.2700   4.1980   1.7850   4.3410   1.8070 -0.1429000 2.540000 
1 1 1   59    5   12 o   3.5050   1.1730   3.9420   1.8230   3.0680   1.4760 0.8743000 2.346000 
1 1 1   59    5   13 o   3.8550   1.1480   2.9600   1.4110   4.7500   1.8120 -1.789000 2.296000 
1 1 1   59    5   14 o   4.8760   1.2350   5.9240   1.8130   3.8280   1.6780 2.096000 2.470000 
1 1 1   59    5   15 o   4.7800   1.2810   5.5200   1.8890   4.0410   1.7310 1.479000 2.562000 
1 1 1   59    5   16 f   3.7150   1.2150   4.0110   1.8000   3.4180   1.6310 0.5938000 2.429000 
1 1 1   59    5   17 o   4.6430   1.2860   5.1590   1.8810   4.1270   1.7550 1.032000 2.572000 
1 1 1   59    5   18 o   4.6340   1.1730   3.0110   1.4420   6.2570   1.8510 -3.246000 2.346000 
1 1 1   59    5   19 o   2.8260   0.9720   2.5920   1.2840   3.0590   1.4600 -0.4675000 1.944000 
1 1 1   59    5   20 o   2.4970   0.8800   2.7080   1.3290   2.2860   1.1530 0.4220000 1.760000 
1 1 1   59    7    0 o   4.0180   1.0060   3.3810   1.4120   4.6550   1.4350 -1.274000 2.013000 
1 1 1   59    7    1 o   12.180   0.4394   12.100   0.6371   12.270   0.6053 -0.1661000 0.8789000 
1 1 1   59    7    2 o   2.8880   0.9087   3.4400   1.4270   2.3360   1.1250 1.104000 1.817000 
1 1 1   59    7    3 o   8.6150   0.7817   8.8210   1.0640   8.4090   1.1450 0.4118000 1.563000 
1 1 1   59    7    4 o   5.4910   1.4150   5.7400   1.9550   5.2420   2.0460 0.4985000 2.830000 
1 1 1   59    7    5 o   12.840   0.5463   12.630   0.7962   13.060   0.7483 -0.4318000 1.093000 
1 1 1   59    7    6 o   6.4260   1.1050   6.3610   1.5880   6.4910   1.5380 -0.1302000 2.210000 
1 1 1   59    7    7 o   4.1860   1.1670   4.2720   1.6570   4.0990   1.6440 0.1732000 2.335000 
1 1 1   59    7    8 f   11.300   0.6892   11.110   0.9898   11.500   0.9594 -0.3948000 1.378000 
1 1 1   59    7    9 o   9.8260   0.8298   10.180   1.1350   9.4740   1.2100 0.7043000 1.660000 
1 1 1   59    7   10 o   8.5080   1.0950   9.3280   1.4450   7.6870   1.6440 1.641000 2.189000 
1 1 1   59    7   11 o   4.3430   1.3510   4.9490   2.0710   3.7380   1.7350 1.211000 2.702000 
1 1 1   59    7   12 o   4.1500   1.2530   4.8460   1.9190   3.4550   1.6130 1.390000 2.506000 
1 1 1   59    7   13 o   4.3680   1.2160   5.0680   1.8010   3.6680   1.6330 1.400000 2.431000 
1 1 1   59    7   14 o   3.4020   1.0920   2.7890   1.3530   4.0160   1.7140 -1.227000 2.183000 
1 1 1   59    7   15 o   4.1910   1.1860   5.2820   1.8650   3.1000   1.4670 2.182000 2.373000 
1 1 1   59    7   16 o   4.3660   1.2460   5.7290   2.0130   3.0030   1.4680 2.725000 2.492000 
1 1 1   59    7   17 o   4.0270   1.2070   3.5580   1.6140   4.4960   1.7950 -0.9376000 2.413000 
1 1 1   59    7   18 o   2.5560   0.8953   2.3100   1.1630   2.8010   1.3610 -0.4912000 1.791000 
1 1 1   59    7   19 o   2.2700   0.8108   2.5520   1.2650   1.9880   1.0150 0.5642000 1.622000 
1 1 1   59    7   20 o   2.6010   0.9445   2.6960   1.3800   2.5060   1.2900 0.1898000 1.889000 
1 1 1   59    9    0 o   9.4510   0.7482   9.5500   1.1120   9.3520   1.0010 0.1977000 1.496000 
1 1 1   59    9    1 o   6.6570   0.9105   6.8290   1.2850   6.4850   1.2900 0.3444000 1.821000 
1 1 1   59    9    2 o   4.8050   1.0550   4.2360   1.5320   5.3750   1.4510 -1.139000 2.110000 
1 1 1   59    9    3 o   6.1120   1.0240   5.5500   1.5230   6.6750   1.3700 -1.125000 2.049000 
1 1 1   59    9    4 o   12.750   0.7800   15.070   0.7833   10.430   1.3490 4.642000 1.560000 
1 1 1   59    9    5 o   5.6600   1.0450   3.9620   1.5810   7.3570   1.3670 -3.395000 2.090000 
1 1 1   59    9    6 o   12.020   0.6538   12.050   0.9695   11.980   0.8775 0.7009000E-01 1.308000 
1 1 1   59    9    7 o   6.0390   1.1980   6.2030   1.6700   5.8750   1.7170 0.3272000 2.395000 
1 1 1   59    9    8 o   4.3930   1.2250   3.5340   1.6010   5.2520   1.8550 -1.718000 2.450000 
1 1 1   59    9    9 o   9.8620   0.9620   8.7270   1.5290   11.000   1.1680 -2.270000 1.924000 
1 1 1   59    9   10 o   4.3550   1.2270   4.1720   1.7070   4.5390   1.7640 -0.3665000 2.455000 
1 1 1   59    9   11 o   3.5850   1.1550   2.9550   1.4440   4.2150   1.8020 -1.259000 2.309000 
1 1 1   59    9   12 o   3.8250   1.2140   3.6680   1.6730   3.9820   1.7600 -0.3140000 2.428000 
1 1 1   59    9   13 o   4.0410   1.1880   4.3930   1.7370   3.6900   1.6220 0.7021000 2.377000 
1 1 1   59    9   14 o   3.1480   1.0400   2.8380   1.3720   3.4570   1.5640 -0.6190000 2.081000 
1 1 1   59    9   15 o   3.7500   1.1590   4.4040   1.7950   3.0970   1.4660 1.307000 2.317000 
1 1 1   59    9   16 o   3.9000   1.2380   3.6810   1.6870   4.1200   1.8120 -0.4385000 2.476000 
1 1 1   59    9   17 o   3.5710   1.1070   4.5100   1.7940   2.6310   1.2980 1.879000 2.214000 
1 1 1   59    9   18 o   2.4780   0.8756   2.5190   1.2580   2.4380   1.2180 0.8149000E-01 1.751000 
1 1 1   59    9   19 o   2.4890   0.8939   2.1250   1.0830   2.8520   1.4220 -0.7275000 1.788000 
1 1 1   59   11    0 o   15.640   0.4487   15.960   0.6996   15.320   0.5620 0.6380000 0.8974000 
1 1 1   59   11    1 o   9.6450   0.6270  10.0000   0.8433   9.2910   0.9281 0.7088000 1.254000 
1 1 1   59   11    2 f   3.4990   1.0340   3.1260   1.3840   3.8730   1.5350 -0.7468000 2.067000 
1 1 1   59   11    3 o   11.560   0.7700   12.890   0.8741   10.240   1.2680 2.646000 1.540000 
1 1 1   59   11    4 o   7.9300   1.1170   7.2260   1.5810   8.6330   1.5780 -1.406000 2.234000 
1 1 1   59   11    5 o   6.0000   1.1110   4.4610   1.6700   7.5380   1.4660 -3.077000 2.222000 
1 1 1   59   11    6 o   9.3270   0.9110   10.990   1.0120   7.6620   1.5150 3.331000 1.822000 
1 1 1   59   11    7 o   2.8810   0.9704   2.6580   1.2970   3.1040   1.4440 -0.4468000 1.941000 
1 1 1   59   11    8 o   3.4490   1.0880   3.0540   1.4290   3.8440   1.6420 -0.7896000 2.177000 
1 1 1   59   11    9 o   4.4360   1.2220   4.8640   1.7750   4.0090   1.6790 0.8550000 2.444000 
1 1 1   59   11   10 o   5.6080   1.0750   3.2690   1.5030   7.9480   1.5360 -4.680000 2.149000 
1 1 1   59   11   11 o   4.4670   1.3070   3.7280   1.7100   5.2060   1.9780 -1.477000 2.615000 
1 1 1   59   11   12 o   3.3300   1.0800   3.8480   1.6710   2.8130   1.3690 1.035000 2.160000 
1 1 1   59   11   13 o   2.8360   0.9732   2.7060   1.3270   2.9660   1.4240 -0.2596000 1.946000 
1 1 1   59   11   14 o   4.1370   1.2220   4.2550   1.7530   4.0190   1.7020 0.2356000 2.443000 
1 1 1   59   11   15 f   4.5260   1.1980   3.2830   1.5230   5.7690   1.8500 -2.485000 2.396000 
1 1 1   59   11   16 o   2.5370   0.9001   2.5920   1.2960   2.4820   1.2500 0.1102000 1.800000 
1 1 1   59   11   17 o   2.8900   0.9935   3.3510   1.5690   2.4290   1.2190 0.9222000 1.987000 
1 1 1   59   11   18 o   2.4620   0.8667   2.6630   1.3030   2.2610   1.1430 0.4022000 1.733000 
1 1 1   59   13    0 o   9.9830   0.6288   10.490   0.8579   9.4790   0.9194 1.007000 1.258000 
1 1 1   59   13    1 o   9.3950   0.7447   7.8990   1.1940   10.890   0.8907 -2.991000 1.489000 
1 1 1   59   13    2 o   3.3220   1.0430   3.1270   1.4160   3.5170   1.5320 -0.3903000 2.086000 
1 1 1   59   13    3 o   6.4010   1.3350   6.5690   1.7780   6.2330   1.9920 0.3358000 2.670000 
1 1 1   59   13    4 o   4.9750   1.1780   5.0340   1.6310   4.9160   1.7010 0.1182000 2.357000 
1 1 1   59   13    5 o   3.3220   1.0440   3.5820   1.5270   3.0620   1.4240 0.5198000 2.088000 
1 1 1   59   13    6 o   4.3690   1.1730   4.8270   1.6790   3.9100   1.6390 0.9167000 2.346000 
1 1 1   59   13    7 o   3.1690   1.0310   3.4280   1.5270   2.9100   1.3860 0.5173000 2.063000 
1 1 1   59   13    8 o   5.8340   1.1960   7.1570   1.6160   4.5110   1.7630 2.646000 2.392000 
1 1 1   59   13    9 o   3.3940   1.0930   3.4980   1.5630   3.2890   1.5270 0.2093000 2.185000 
1 1 1   59   13   10 o   4.1800   1.2220   4.1920   1.7160   4.1680   1.7410 0.2317000E-01 2.445000 
1 1 1   59   13   11 o   3.0350   1.0460   2.6410   1.3210   3.4290   1.6220 -0.7879000 2.092000 
1 1 1   59   13   12 f   2.9900   1.0110   3.1980   1.4960   2.7820   1.3590 0.4165000 2.021000 
1 1 1   59   13   13 o   4.6090   1.2430   5.3840   1.8310   3.8340   1.6820 1.550000 2.487000 
1 1 1   59   13   14 o   2.9490   0.9974   3.1610   1.4830   2.7380   1.3340 0.4230000 1.995000 
1 1 1   59   13   15 o   2.7330   0.9701   2.8520   1.4230   2.6140   1.3190 0.2381000 1.940000 
1 1 1   59   13   16 o   2.9080   1.0000   3.0260   1.4620   2.7890   1.3650 0.2364000 2.000000 
1 1 1   59   13   17 o   2.5880   0.9219   2.5060   1.2600   2.6700   1.3460 -0.1633000 1.844000 
1 1 1   59   15    0 o   14.530   0.4487   14.530   0.6031   14.520   0.6644 0.1278000E-01 0.8973000 
1 1 1   59   15    1 o   9.9890   0.7746   9.9020   1.0260   10.080   1.1600 -0.1753000 1.549000 
1 1 1   59   15    2 o   15.160   0.5526   15.220   0.7182   15.100   0.8400 0.1185000 1.105000 
1 1 1   59   15    3 o   12.320   0.5768   12.380   0.7735   12.270   0.8558 0.1114000 1.154000 
1 1 1   59   15    4 o   4.6230   1.1790   5.1610   1.6710   4.0840   1.6640 1.078000 2.358000 
1 1 1   59   15    5 o   11.820   0.6685   12.750   0.8418   10.880   1.0390 1.872000 1.337000 
1 1 1   59   15    6 o   8.5760   0.9348   8.0990   1.3550   9.0530   1.2880 -0.9540000 1.870000 
1 1 1   59   15    7 o   3.9960   1.1730   3.6710   1.5850   4.3220   1.7300 -0.6511000 2.346000 
1 1 1   59   15    8 o   4.9800   1.1860   6.1670   1.7080   3.7920   1.6440 2.375000 2.371000 
1 1 1   59   15    9 o   3.1010   1.0240   3.3330   1.5160   2.8700   1.3780 0.4630000 2.049000 
1 1 1   59   15   10 o   3.3260   1.1330   4.2480   1.9100   2.4040   1.2170 1.844000 2.265000 
1 1 1   59   15   11 o   3.5610   1.1290   3.3150   1.5240   3.8070   1.6650 -0.4921000 2.257000 
1 1 1   59   15   12 o   4.5170   1.2280   5.3570   1.8340   3.6780   1.6330 1.678000 2.455000 
1 1 1   59   15   13 o   3.1060   1.0470   2.8350   1.3840   3.3780   1.5710 -0.5438000 2.094000 
1 1 1   59   15   14 o   2.8090   0.9706   2.2730   1.1510   3.3440   1.5630 -1.071000 1.941000 
1 1 1   59   15   15 o   3.0270   1.0380   2.5060   1.2610   3.5470   1.6500 -1.041000 2.077000 
1 1 1   59   17    0 o   7.4810   1.0940   8.4560   1.3030   6.5060   1.7590 1.950000 2.189000 
1 1 1   59   17    1 o   10.410   0.7151   10.670   1.0300   10.150   0.9923 0.5164000 1.430000 
1 1 1   59   17    2 o   2.7640   0.9300   2.9760   1.3840   2.5510   1.2420 0.4254000 1.860000 
1 1 1   59   17    3 o   4.5990   1.1700   3.6340   1.5730   5.5640   1.7310 -1.930000 2.339000 
1 1 1   59   17    4 o   5.8230   1.2100   5.1270   1.7300   6.5180   1.6910 -1.392000 2.420000 
1 1 1   59   17    5 f   4.9440   1.2450   5.2430   1.7600   4.6450   1.7610 0.5980000 2.490000 
1 1 1   59   17    6 o   5.0200   1.2630   5.1340   1.7760   4.9070   1.7970 0.2271000 2.527000 
1 1 1   59   17    7 f   3.9940   1.1780   3.8080   1.6200   4.1800   1.7100 -0.3714000 2.356000 
1 1 1   59   17    8 o   3.5740   1.1130   3.8180   1.6250   3.3310   1.5220 0.4865000 2.227000 
1 1 1   59   17    9 o   2.8750   1.0010   3.4310   1.6200   2.3190   1.1760 1.113000 2.002000 
1 1 1   59   17   10 o   3.4890   1.1340   3.5160   1.6020   3.4620   1.6060 0.5460000E-01 2.268000 
1 1 1   59   17   11 o   2.9260   1.0000   2.5120   1.2510   3.3390   1.5610 -0.8274000 2.000000 
1 1 1   59   17   12 o   2.7970   0.9595   2.3130   1.1590   3.2810   1.5290 -0.9687000 1.919000 
1 1 1   59   17   13 o   2.4450   0.8590   2.4550   1.2180   2.4340   1.2120 0.2138000E-01 1.718000 
1 1 1   59   19    0 o   5.3250   1.1670   5.6190   1.5980   5.0310   1.7010 0.5878000 2.334000 
1 1 1   59   19    1 o   3.9130   1.0970   2.8790   1.3510   4.9470   1.7280 -2.067000 2.194000 
1 1 1   59   19    2 o   4.3860   1.0760   5.9390   1.6770   2.8340   1.3500 3.105000 2.153000 
1 1 1   59   19    3 o   3.9010   1.1210   2.9870   1.4000   4.8150   1.7500 -1.828000 2.242000 
1 1 1   59   19    4 o   3.0380   1.0050   3.1260   1.4440   2.9510   1.3970 0.1749000 2.009000 
1 1 1   59   19    5 o   3.3340   1.0560   2.6640   1.2970   4.0040   1.6680 -1.340000 2.113000 
1 1 1   59   19    6 o   4.7470   1.2830   5.0250   1.8320   4.4700   1.7950 0.5550000 2.565000 
1 1 1   59   19    7 o   3.8780   1.1950   4.5510   1.8070   3.2060   1.5640 1.345000 2.390000 
1 1 1   59   19    8 o   3.1500   1.0900   3.4870   1.6640   2.8130   1.4080 0.6737000 2.180000 
1 1 1   59   19    9 o   2.5860   0.8997   2.6390   1.2880   2.5340   1.2560 0.1043000 1.799000 
1 1 1   59   19   10 o   2.4020   0.8477   2.3780   1.1880   2.4260   1.2100 -0.4795000E-01 1.695000 
1 1 1   59   19   11 o   2.2870   0.8124   2.2220   1.1190   2.3510   1.1780 -0.1283000 1.625000 
1 1 1   59   21    0 o   2.9590   0.9915   2.5070   1.2390   3.4110   1.5480 -0.9048000 1.983000 
1 1 1   59   21    1 o   2.8990   0.9790   2.6050   1.2720   3.1930   1.4890 -0.5889000 1.958000 
1 1 1   59   21    2 o   5.0230   1.2630   5.0630   1.7730   4.9830   1.8000 0.8029000E-01 2.526000 
1 1 1   59   21    3 o   3.5340   1.1150   3.7500   1.6260   3.3180   1.5270 0.4322000 2.230000 
1 1 1   59   21    4 o   3.2170   1.0530   2.9480   1.3880   3.4870   1.5840 -0.5385000 2.106000 
1 1 1   59   21    5 o   2.7580   0.9372   2.6360   1.2770   2.8790   1.3720 -0.2430000 1.874000 
1 1 1   59   21    6 o   2.0440   0.7405   2.0570   1.0530   2.0320   1.0420 0.2501000E-01 1.481000 
1 1 1   59   21    7 o   2.7640   0.9547   2.8460   1.3940   2.6820   1.3050 0.1648000 1.909000 
1 1 1   59   21    8 o   1.9360   0.7030   2.0930   1.0600   1.7790   0.9239 0.3131000 1.406000 
1 1 1   59   23    0 o   2.2730   0.8014   2.1410   1.0790   2.4040   1.1850 -0.2626000 1.603000 
1 1 1   59   23    1 f   3.5240   1.0840   3.5990   1.5420   3.4500   1.5230 0.1491000 2.167000 
1 1 1   59   23    2 o   2.4250   0.8489   2.5960   1.2690   2.2540   1.1270 0.3420000 1.698000 
1 1 1   59   23    3 o   2.7530   0.9469   2.9520   1.3770   2.5540   1.3000 0.3981000 1.894000 
1 1 1   60    0    0 o   15.230   0.8535   15.230   0.8535   15.230   0.8535 0.000000 0.000000 
1 1 1   60    0    1 o   3.6500   1.8200   3.6500   1.8200   3.6500   1.8200 0.000000 0.000000 
1 1 1   60    0    2 o   13.830   0.6571   13.830   0.6571   13.830   0.6571 -0.000000 0.000000 
1 1 1   60    0    3 o   20.500   0.5095   20.500   0.5095   20.500   0.5095 0.000000 0.000000 
1 1 1   60    0    4 o   13.870   0.7068   13.870   0.7068   13.870   0.7068 0.000000 0.000000 
1 1 1   60    0    5 o   7.6150   1.4110   7.6150   1.4110   7.6150   1.4110 0.000000 0.000000 
1 1 1   60    0    6 o   9.6420   1.0710   9.6420   1.0710   9.6420   1.0710 0.000000 0.000000 
1 1 1   60    0    7 o   3.0210   1.8190   3.0210   1.8190   3.0210   1.8190 0.000000 0.000000 
1 1 1   60    0    8 o   5.2730   2.0700   5.2730   2.0700   5.2730   2.0700 -0.000000 0.000000 
1 1 1   60    0    9 o   8.9340   1.7120   8.9340   1.7120   8.9340   1.7120 -0.000000 0.000000 
1 1 1   60    0   10 o   2.1300   1.5170   2.1300   1.5170   2.1300   1.5170 -0.000000 0.000000 
1 1 1   60    0   11 o   2.1560   1.4990   2.1560   1.4990   2.1560   1.4990 -0.000000 0.000000 
1 1 1   60    0   12 o   10.130   1.2310   10.130   1.2310   10.130   1.2310 -0.000000 0.000000 
1 1 1   60    0   13 o   7.6830   1.8580   7.6830   1.8580   7.6830   1.8580 0.000000 0.000000 
1 1 1   60    0   14 o   2.4380   1.7430   2.4380   1.7430   2.4380   1.7430 0.000000 0.000000 
1 1 1   60    0   15 o   3.1110   2.0930   3.1110   2.0930   3.1110   2.0930 -0.000000 0.000000 
1 1 1   60    0   16 o   2.6540   1.7690   2.6540   1.7690   2.6540   1.7690 -0.000000 0.000000 
1 1 1   60    0   17 o   2.8650   1.8580   2.8650   1.8580   2.8650   1.8580 0.000000 0.000000 
1 1 1   60    0   18 o   4.0600   2.1990   4.0600   2.1990   4.0600   2.1990 0.000000 0.000000 
1 1 1   60    0   19 o   5.7690   2.2710   5.7690   2.2710   5.7690   2.2710 0.000000 0.000000 
1 1 1   60    0   20 o   1.5520   1.1440   1.5520   1.1440   1.5520   1.1440 0.000000 0.000000 
1 1 1   60    2    0 o   12.560   0.4507   12.940   0.6363   12.170   0.6385 0.7636000 0.9014000 
1 1 1   60    2    1 o   7.7370   1.0300   7.2300   1.4350   8.2430   1.4780 -1.013000 2.061000 
1 1 1   60    2    2 o   5.5830   1.1910   6.6000   1.5510   4.5670   1.8070 2.034000 2.382000 
1 1 1   60    2    3 o   7.7100   0.8634   8.4650   1.1090   6.9550   1.3230 1.510000 1.727000 
1 1 1   60    2    4 o   6.6150   1.0010   5.1000   1.6390   8.1290   1.1500 -3.028000 2.002000 
1 1 1   60    2    5 o   4.0860   1.1310   3.9750   1.6080   4.1970   1.5920 -0.2221000 2.263000 
1 1 1   60    2    6 o   3.0030   0.9818   2.9180   1.3660   3.0890   1.4110 -0.1717000 1.964000 
1 1 1   60    2    7 o   4.5300   1.1100   3.1560   1.4460   5.9050   1.6840 -2.748000 2.219000 
1 1 1   60    2    8 f   5.9660   1.2620   6.0920   1.7700   5.8410   1.8000 0.2515000 2.524000 
1 1 1   60    2    9 o   5.1790   1.2720   4.3500   1.7660   6.0080   1.8300 -1.658000 2.543000 
1 1 1   60    2   10 o   4.5930   1.2900   5.0180   1.8770   4.1670   1.7710 0.8512000 2.581000 
1 1 1   60    2   11 o   3.4980   1.0730   2.3850   1.1990   4.6110   1.7810 -2.226000 2.147000 
1 1 1   60    2   12 o   5.2220   1.2850   4.7610   1.7910   5.6840   1.8440 -0.9227000 2.571000 
1 1 1   60    2   13 o   6.5740   1.2080   4.0860   1.8160   9.0620   1.5950 -4.975000 2.417000 
1 1 1   60    2   14 o   4.5650   1.3500   4.2020   1.8520   4.9290   1.9640 -0.7271000 2.699000 
1 1 1   60    2   15 o   3.2440   1.0990   3.4590   1.6290   3.0280   1.4750 0.4311000 2.197000 
1 1 1   60    2   16 f   5.1830   1.3130   5.7590   1.8920   4.6080   1.8200 1.151000 2.626000 
1 1 1   60    2   17 o   4.0810   1.2190   4.5970   1.8230   3.5650   1.6180 1.032000 2.437000 
1 1 1   60    2   18 o   3.2520   1.0670   2.6440   1.3070   3.8590   1.6880 -1.215000 2.135000 
1 1 1   60    2   19 f   2.8580   0.9787   2.4010   1.2040   3.3160   1.5430 -0.9151000 1.957000 
1 1 1   60    2   20 o   2.7120   0.9425   3.1280   1.4870   2.2960   1.1590 0.8318000 1.885000 
1 1 1   60    4    0 o   4.0070   1.0120   4.4160   1.4510   3.5980   1.4110 0.8176000 2.024000 
1 1 1   60    4    1 o   10.970   0.5263   10.300   0.7913   11.640   0.6942 -1.340000 1.053000 
1 1 1   60    4    2 o   9.3620   0.6421   9.3820   0.8835   9.3410   0.9319 0.4087000E-01 1.284000 
1 1 1   60    4    3 o   5.9130   1.2410   6.8410   1.6200   4.9850   1.8800 1.856000 2.481000 
1 1 1   60    4    4 o   8.6760   0.7878   8.7020   1.1640   8.6490   1.0620 0.5357000E-01 1.576000 
1 1 1   60    4    5 o   2.7480   0.9240   2.9130   1.3690   2.5840   1.2410 0.3291000 1.848000 
1 1 1   60    4    6 o   9.7840   0.7911   10.100   1.1530   9.4640   1.0840 0.6396000 1.582000 
1 1 1   60    4    7 o   5.5430   1.2120   6.6780   1.6960   4.4080   1.7310 2.270000 2.423000 
1 1 1   60    4    8 o   4.5800   1.2060   5.0210   1.7340   4.1390   1.6770 0.8815000 2.412000 
1 1 1   60    4    9 o   11.370   0.7108   12.200   0.9257   10.530   1.0790 1.671000 1.422000 
1 1 1   60    4   10 o   3.4350   1.0870   3.7850   1.6260   3.0840   1.4430 0.7008000 2.174000 
1 1 1   60    4   11 o   4.5740   1.3010   5.0270   1.9040   4.1210   1.7730 0.9065000 2.602000 
1 1 1   60    4   12 o   4.7120   1.3370   4.9940   1.9370   4.4310   1.8440 0.5623000 2.674000 
1 1 1   60    4   13 o   5.0900   1.3690   5.4910   1.9720   4.6890   1.8980 0.8016000 2.737000 
1 1 1   60    4   14 o   4.1070   1.2210   3.7030   1.6450   4.5110   1.8040 -0.8076000 2.441000 
1 1 1   60    4   15 o   3.4370   1.1490   3.2210   1.5490   3.6520   1.6970 -0.4311000 2.297000 
1 1 1   60    4   16 o   3.3600   1.1210   4.0280   1.7930   2.6920   1.3450 1.335000 2.241000 
1 1 1   60    4   17 o   4.7520   1.2880   5.5030   1.9130   4.0020   1.7250 1.501000 2.576000 
1 1 1   60    4   18 o   3.1210   1.0490   3.2270   1.5220   3.0160   1.4440 0.2106000 2.098000 
1 1 1   60    4   19 o   2.7620   0.9553   2.6750   1.3190   2.8500   1.3820 -0.1747000 1.911000 
1 1 1   60    4   20 o   2.0510   0.7396   1.9420   0.9949   2.1600   1.0950 -0.2183000 1.479000 
1 1 1   60    6    0 o   6.5090   0.8437   5.5900   1.4230   7.4270   0.9064 -1.837000 1.687000 
1 1 1   60    6    1 o   10.560   0.5064   10.900   0.6978   10.230   0.7340 0.6619000 1.013000 
1 1 1   60    6    2 o   6.3830   0.9333   7.3420   1.1260   5.4240   1.4890 1.918000 1.867000 
1 1 1   60    6    3 o   5.9760   1.2640   4.5640   1.7600   7.3880   1.8140 -2.825000 2.527000 
1 1 1   60    6    4 o   4.5680   1.3520   4.2530   1.8100   4.8830   2.0090 -0.6307000 2.704000 
1 1 1   60    6    5 o   4.4520   1.1110   5.8680   1.7180   3.0350   1.4090 2.833000 2.222000 
1 1 1   60    6    6 o   4.1690   1.1280   5.0030   1.6990   3.3350   1.4830 1.668000 2.255000 
1 1 1   60    6    7 o   4.1850   1.1780   4.2060   1.6750   4.1650   1.6570 0.4166000E-01 2.356000 
1 1 1   60    6    8 o   5.0030   1.2320   4.9240   1.7450   5.0820   1.7400 -0.1578000 2.464000 
1 1 1   60    6    9 o   3.2950   1.0520   2.8280   1.3530   3.7630   1.6130 -0.9345000 2.105000 
1 1 1   60    6   10 o   4.0740   1.1850   4.3160   1.7150   3.8330   1.6360 0.4834000 2.371000 
1 1 1   60    6   11 o   3.0370   1.0610   3.4920   1.6760   2.5820   1.3010 0.9101000 2.121000 
1 1 1   60    6   12 o   4.9330   1.2380   6.5400   1.9430   3.3260   1.5350 3.214000 2.476000 
1 1 1   60    6   13 o   3.5340   1.1170   3.1330   1.4640   3.9350   1.6880 -0.8022000 2.234000 
1 1 1   60    6   14 o   3.1370   1.0460   3.1090   1.4720   3.1640   1.4870 -0.5553000E-01 2.093000 
1 1 1   60    6   15 o   3.4880   1.1200   3.0530   1.4580   3.9220   1.7000 -0.8697000 2.240000 
1 1 1   60    6   16 o   4.5590   1.3060   3.3990   1.6060   5.7190   2.0610 -2.320000 2.613000 
1 1 1   60    6   17 o   4.2660   1.2390   4.7790   1.8350   3.7540   1.6670 1.025000 2.479000 
1 1 1   60    6   18 o   3.3320   1.0960   3.4460   1.5870   3.2190   1.5110 0.2270000 2.191000 
1 1 1   60    6   19 o   2.2520   0.8049   2.2090   1.1190   2.2950   1.1570 -0.8619000E-01 1.610000 
1 1 1   60    8    0 o   14.880   0.4625   14.610   0.6915   15.150   0.6144 -0.5438000 0.9250000 
1 1 1   60    8    1 o   6.5000   0.9141   6.4050   1.3410   6.5960   1.2430 -0.1915000 1.828000 
1 1 1   60    8    2 o   5.2720   1.0980   5.7200   1.5490   4.8230   1.5570 0.8968000 2.196000 
1 1 1   60    8    3 o   12.020   0.6352   12.060   0.9761   11.970   0.8131 0.9013000E-01 1.270000 
1 1 1   60    8    4 o   7.4230   1.2120   8.3220   1.4600   6.5250   1.9350 1.797000 2.424000 
1 1 1   60    8    5 o   7.7720   0.9051   7.5860   1.3120   7.9570   1.2480 -0.3711000 1.810000 
1 1 1   60    8    6 o   7.5330   0.9999   8.1550   1.3180   6.9100   1.5040 1.244000 2.000000 
1 1 1   60    8    7 o   3.6480   1.1030   3.1020   1.4380   4.1930   1.6730 -1.091000 2.206000 
1 1 1   60    8    8 o   2.3610   0.8297   2.3260   1.1580   2.3960   1.1880 -0.7004000E-01 1.659000 
1 1 1   60    8    9 o   6.6250   1.2780   5.9390   1.9110   7.3110   1.6990 -1.372000 2.557000 
1 1 1   60    8   10 o   4.9780   1.2920   4.0780   1.7680   5.8770   1.8830 -1.799000 2.583000 
1 1 1   60    8   11 o   5.0410   1.2390   6.7180   1.9120   3.3640   1.5760 3.354000 2.478000 
1 1 1   60    8   12 o   5.2850   1.3190   4.6530   1.8900   5.9180   1.8420 -1.266000 2.639000 
1 1 1   60    8   13 o   3.1070   1.0280   2.8380   1.3700   3.3770   1.5320 -0.5385000 2.055000 
1 1 1   60    8   14 o   3.5940   1.1370   3.8610   1.6810   3.3260   1.5300 0.5348000 2.273000 
1 1 1   60    8   15 o   3.8680   1.1850   4.3000   1.7770   3.4360   1.5680 0.8639000 2.369000 
1 1 1   60    8   16 f   3.1230   1.0660   3.3630   1.5880   2.8840   1.4220 0.4786000 2.131000 
1 1 1   60    8   17 o   2.8140   0.9652   3.1650   1.4890   2.4630   1.2280 0.7023000 1.930000 
1 1 1   60    8   18 o   2.4980   0.8807   2.9940   1.4350   2.0020   1.0220 0.9925000 1.761000 
1 1 1   60   10    0 o   10.230   0.6974   10.060   1.0340   10.390   0.9361 -0.3277000 1.395000 
1 1 1   60   10    1 o   3.0660   0.9523   2.9710   1.3250   3.1620   1.3680 -0.1906000 1.905000 
1 1 1   60   10    2 o   4.5240   1.0900   4.3260   1.5450   4.7220   1.5370 -0.3966000 2.179000 
1 1 1   60   10    3 f   4.1180   1.0770   4.6840   1.5590   3.5510   1.4870 1.133000 2.154000 
1 1 1   60   10    4 o   4.1050   1.2350   3.9220   1.6640   4.2870   1.8260 -0.3648000 2.470000 
1 1 1   60   10    5 o   3.1210   1.0010   3.0500   1.3880   3.1920   1.4420 -0.1411000 2.001000 
1 1 1   60   10    6 o   5.1040   1.2140   4.1290   1.6750   6.0790   1.7580 -1.950000 2.429000 
1 1 1   60   10    7 o   5.7680   1.2880   5.6500   1.8320   5.8860   1.8100 -0.2358000 2.576000 
1 1 1   60   10    8 o   8.5740   0.9602   9.3710   1.2120   7.7770   1.4890 1.594000 1.920000 
1 1 1   60   10    9 o   7.3140   1.1310   6.2690   1.7440   8.3590   1.4410 -2.090000 2.263000 
1 1 1   60   10   10 o   3.7410   1.1440   3.3490   1.5240   4.1320   1.7060 -0.7834000 2.287000 
1 1 1   60   10   11 o   3.7460   1.2070   3.8350   1.7310   3.6570   1.6840 0.1786000 2.415000 
1 1 1   60   10   12 o   3.7830   1.1960   3.7490   1.7230   3.8170   1.6590 -0.6844000E-01 2.391000 
1 1 1   60   10   13 o   3.7150   1.1340   4.5050   1.7870   2.9260   1.3960 1.579000 2.268000 
1 1 1   60   10   14 o   3.3060   1.0770   3.2830   1.5220   3.3290   1.5240 -0.4639000E-01 2.154000 
1 1 1   60   10   15 f   3.2450   1.0640   2.8300   1.3710   3.6610   1.6270 -0.8311000 2.127000 
1 1 1   60   10   16 o   3.0270   1.0380   3.4010   1.5970   2.6540   1.3270 0.7465000 2.076000 
1 1 1   60   10   17 o   2.5700   0.9001   2.4550   1.2280   2.6860   1.3160 -0.2309000 1.800000 
1 1 1   60   10   18 o   2.1130   0.7675   2.0890   1.0640   2.1380   1.1060 -0.4938000E-01 1.535000 
1 1 1   60   12    0 f   2.9860   0.9791   3.5100   1.5620   2.4620   1.1810 1.048000 1.958000 
1 1 1   60   12    1 o   10.620   0.5985   10.510   0.8635   10.730   0.8290 -0.2262000 1.197000 
1 1 1   60   12    2 o   12.880   0.5153   12.450   0.7392   13.300   0.7182 -0.8542000 1.031000 
1 1 1   60   12    3 o   9.6980   1.0380   10.560   1.1910   8.8320   1.7000 1.731000 2.076000 
1 1 1   60   12    4 o   7.1580   1.0660   6.0860   1.6310   8.2310   1.3730 -2.144000 2.132000 
1 1 1   60   12    5 o   5.9910   0.9852   8.4430   1.1890   3.5390   1.5710 4.904000 1.970000 
1 1 1   60   12    6 o   9.0040   0.8405   9.2360   1.1240   8.7720   1.2500 0.4636000 1.681000 
1 1 1   60   12    7 o   3.9240   1.1540   4.1240   1.6620   3.7240   1.6010 0.4000000 2.307000 
1 1 1   60   12    8 o   9.3140   0.9686   8.4720   1.5390   10.160   1.1760 -1.685000 1.937000 
1 1 1   60   12    9 o   6.4390   1.2410   6.4990   1.7140   6.3790   1.7950 0.1197000 2.482000 
1 1 1   60   12   10 o   4.1340   1.1390   5.3150   1.7910   2.9540   1.4080 2.361000 2.278000 
1 1 1   60   12   11 o   2.9700   1.0300   3.2320   1.5550   2.7090   1.3520 0.5227000 2.061000 
1 1 1   60   12   12 o   5.0430   1.3000   4.8250   1.8280   5.2620   1.8500 -0.4375000 2.601000 
1 1 1   60   12   13 o   3.4370   1.1080   3.3080   1.5370   3.5660   1.5950 -0.2578000 2.215000 
1 1 1   60   12   14 o   3.5250   1.1210   3.4590   1.5740   3.5920   1.5950 -0.1329000 2.241000 
1 1 1   60   12   15 o   3.1980   1.0820   3.4300   1.6110   2.9660   1.4460 0.4635000 2.165000 
1 1 1   60   12   16 o   2.7730   0.9809   3.1510   1.5390   2.3940   1.2160 0.7574000 1.962000 
1 1 1   60   12   17 o   2.2140   0.8095   2.1970   1.1300   2.2320   1.1590 -0.3513000E-01 1.619000 
1 1 1   60   14    0 o   9.9190   0.6878   10.890   0.7907   8.9470   1.1260 1.944000 1.376000 
1 1 1   60   14    1 o   13.600   0.4862   13.430   0.6580   13.780   0.7159 -0.3585000 0.9724000 
1 1 1   60   14    2 o   7.2780   1.0820   6.4520   1.5520   8.1040   1.5070 -1.652000 2.163000 
1 1 1   60   14    3 o   5.3290   1.2610   4.6430   1.7000   6.0150   1.8630 -1.372000 2.522000 
1 1 1   60   14    4 o   5.5890   1.0840   3.9100   1.5750   7.2670   1.4920 -3.356000 2.169000 
1 1 1   60   14    5 f   6.9160   1.1060   7.6100   1.4090   6.2220   1.7060 1.389000 2.213000 
1 1 1   60   14    6 o   6.3220   1.1870   6.8970   1.5630   5.7480   1.7870 1.149000 2.374000 
1 1 1   60   14    7 o   6.2870   1.1780   7.5330   1.5100   5.0400   1.8070 2.493000 2.355000 
1 1 1   60   14    8 o   4.0950   1.1940   3.7110   1.6060   4.4800   1.7660 -0.7684000 2.387000 
1 1 1   60   14    9 o   2.9910   1.0010   3.1920   1.4770   2.7900   1.3530 0.4024000 2.003000 
1 1 1   60   14   10 o   3.7290   1.2050   3.7010   1.6940   3.7560   1.7130 -0.5516000E-01 2.410000 
1 1 1   60   14   11 o   2.7590   0.9613   3.0570   1.4800   2.4620   1.2270 0.5954000 1.923000 
1 1 1   60   14   12 o   2.8250   0.9663   2.5940   1.2750   3.0550   1.4520 -0.4612000 1.933000 
1 1 1   60   14   13 o   2.7670   0.9508   2.9620   1.4150   2.5720   1.2700 0.3895000 1.902000 
1 1 1   60   14   14 o   2.7230   0.9477   2.5760   1.2810   2.8700   1.3970 -0.2943000 1.895000 
1 1 1   60   14   15 o   2.9180   1.0210   2.6190   1.3080   3.2170   1.5670 -0.5980000 2.041000 
1 1 1   60   16    0 o   11.190   0.6003   11.300   0.7983   11.070   0.8969 0.2228000 1.201000 
1 1 1   60   16    1 f   5.0640   1.2350   5.6620   1.7170   4.4650   1.7740 1.197000 2.469000 
1 1 1   60   16    2 o   3.6080   1.0920   3.2600   1.4860   3.9550   1.6020 -0.6953000 2.185000 
1 1 1   60   16    3 o   2.8980   0.9611   2.6770   1.2820   3.1190   1.4320 -0.4420000 1.922000 
1 1 1   60   16    4 o   3.6360   1.1130   3.3690   1.5030   3.9030   1.6410 -0.5340000 2.225000 
1 1 1   60   16    5 o   5.2910   1.2230   5.9810   1.6990   4.6000   1.7600 1.381000 2.446000 
1 1 1   60   16    6 o   9.8900   0.8264   10.170   1.0930   9.6080   1.2400 0.5635000 1.653000 
1 1 1   60   16    7 o   3.2060   1.0410   2.6680   1.2930   3.7450   1.6330 -1.077000 2.083000 
1 1 1   60   16    8 o   4.6680   1.2510   4.3710   1.7290   4.9650   1.8080 -0.5937000 2.502000 
1 1 1   60   16    9 o   4.0120   1.1900   2.7650   1.3340   5.2600   1.9710 -2.495000 2.380000 
1 1 1   60   16   10 o   4.0470   1.2640   3.7990   1.7240   4.2950   1.8490 -0.4955000 2.528000 
1 1 1   60   16   11 o   2.8190   0.9726   3.2840   1.5400   2.3550   1.1880 0.9292000 1.945000 
1 1 1   60   16   12 o   3.0310   1.0280   3.1580   1.4960   2.9040   1.4100 0.2535000 2.055000 
1 1 1   60   16   13 o   2.5570   0.8920   2.5200   1.2460   2.5940   1.2760 -0.7442000E-01 1.784000 
1 1 1   60   16   14 o   1.6640   0.6136   1.6640   0.8679   1.6630   0.8675 0.1013000E-02 1.227000 
1 1 1   60   18    0 o   6.4700   1.2050   7.2880   1.5300   5.6520   1.8620 1.636000 2.410000 
1 1 1   60   18    1 o   3.7200   1.0990   4.0570   1.6120   3.3840   1.4930 0.6732000 2.197000 
1 1 1   60   18    2 o   4.2530   1.1510   3.5420   1.5450   4.9630   1.7070 -1.422000 2.302000 
1 1 1   60   18    3 o   2.8660   0.9620   2.5970   1.2650   3.1360   1.4500 -0.5387000 1.924000 
1 1 1   60   18    4 o   3.3920   1.0740   3.1110   1.4300   3.6730   1.6020 -0.5616000 2.147000 
1 1 1   60   18    5 o   4.0810   1.1750   4.4360   1.7110   3.7260   1.6120 0.7098000 2.351000 
1 1 1   60   18    6 o   3.3660   1.0750   3.0180   1.4180   3.7130   1.6150 -0.6951000 2.149000 
1 1 1   60   18    7 o   2.6960   0.9278   2.4550   1.2160   2.9370   1.4020 -0.4818000 1.856000 
1 1 1   60   18    8 o   2.5170   0.8929   2.5400   1.2600   2.4940   1.2650 0.4597000E-01 1.786000 
1 1 1   60   18    9 o   3.5480   1.1870   3.8250   1.7660   3.2710   1.5880 0.5537000 2.375000 
1 1 1   60   18   10 o   2.8690   0.9743   2.9780   1.4120   2.7600   1.3430 0.2179000 1.949000 
1 1 1   60   18   11 o   2.3650   0.8349   2.6110   1.2780   2.1190   1.0740 0.4928000 1.670000 
1 1 1   60   18   12 o   1.1310   0.4176   1.1220   0.5862   1.1390   0.5951 -0.1704000E-01 0.8353000 
1 1 1   60   20    0 o   3.2550   1.0430   3.2020   1.4540   3.3080   1.4960 -0.1057000 2.086000 
1 1 1   60   20    1 o   2.3110   0.8142   2.5280   1.2380   2.0930   1.0580 0.4345000 1.628000 
1 1 1   60   20    2 o   2.7950   0.9490   2.6710   1.2960   2.9190   1.3870 -0.2476000 1.898000 
1 1 1   60   20    3 f   3.3050   1.0700   3.3320   1.5130   3.2790   1.5120 0.5300000E-01 2.139000 
1 1 1   60   20    4 o   3.5360   1.1060   4.1240   1.7030   2.9490   1.4120 1.175000 2.212000 
1 1 1   60   20    5 o   2.9430   0.9885   2.3170   1.1610   3.5700   1.6000 -1.253000 1.977000 
1 1 1   60   20    6 o   2.3770   0.8400   2.5200   1.2380   2.2340   1.1350 0.2864000 1.680000 
1 1 1   60   20    7 o   2.5440   0.9013   2.6820   1.3310   2.4060   1.2160 0.2757000 1.803000 
1 1 1   60   20    8 o   2.6990   0.9352   2.5350   1.2700   2.8630   1.3730 -0.3277000 1.870000 
1 1 1   60   20    9 o   1.8180   0.6676   1.8570   0.9613   1.7780   0.9268 0.7954000E-01 1.335000 
1 1 1   60   22    0 o   2.6740   0.9090   2.2770   1.1310   3.0700   1.4240 -0.7933000 1.818000 
1 1 1   60   22    1 o   2.3940   0.8354   2.3810   1.1750   2.4080   1.1880 -0.2737000E-01 1.671000 
1 1 1   60   22    2 o   2.5060   0.8710   2.3230   1.1600   2.6890   1.3000 -0.3664000 1.742000 
1 1 1   60   22    3 o   2.5990   0.8920   2.8950   1.3650   2.3040   1.1490 0.5905000 1.784000 
1 1 1   60   22    4 o   2.1370   0.7610   1.9980   1.0110   2.2760   1.1370 -0.2782000 1.522000 
1 1 1   60   22    5 o   2.2270   1.1560  ?   ?    2.2270   1.1560      ?      ? 
1 1 1   61    1    0 o   10.650   0.6767   10.820   0.8847   10.470   1.0240 0.3563000 1.353000 
1 1 1   61    1    1 o   6.8730   1.0650   7.9390   1.2380   5.8070   1.7340 2.132000 2.131000 
1 1 1   61    1    2 o   7.1520   0.9565   8.0450   1.2860   6.2600   1.4160 1.785000 1.913000 
1 1 1   61    1    3 o   13.790   0.4908   13.160   0.7274   14.420   0.6592 -1.262000 0.9817000 
1 1 1   61    1    4 o   2.9630   0.9666   2.9290   1.3580   2.9970   1.3760 -0.6803000E-01 1.933000 
1 1 1   61    1    5 o   5.2610   1.1220   4.1590   1.6270   6.3640   1.5470 -2.205000 2.245000 
1 1 1   61    1    6 o   3.3860   1.0590   3.2750   1.4730   3.4980   1.5200 -0.2223000 2.117000 
1 1 1   61    1    7 o   4.7280   1.1440   3.5070   1.5390   5.9490   1.6930 -2.442000 2.288000 
1 1 1   61    1    8 o   4.2830   1.1790   5.2590   1.8220   3.3080   1.4970 1.951000 2.358000 
1 1 1   61    1    9 o   3.2580   1.0730   3.6920   1.6490   2.8240   1.3730 0.8680000 2.146000 
1 1 1   61    1   10 o   3.6720   1.1530   2.9340   1.4120   4.4110   1.8220 -1.476000 2.305000 
1 1 1   61    1   11 o   4.3310   1.2350   4.4760   1.7500   4.1860   1.7440 0.2901000 2.470000 
1 1 1   61    1   12 o   5.5460   1.1580   7.4730   1.6470   3.6190   1.6270 3.854000 2.315000 
1 1 1   61    1   13 o   4.3910   1.2310   5.2710   1.8670   3.5110   1.6060 1.760000 2.463000 
1 1 1   61    1   14 o   4.6550   1.3510   2.9100   1.4410   6.4000   2.2840 -3.490000 2.701000 
1 1 1   61    1   15 o   3.4230   1.1430   3.2020   1.5360   3.6440   1.6940 -0.4413000 2.287000 
1 1 1   61    1   16 o   5.1610   1.3120   5.8600   1.9070   4.4620   1.8020 1.397000 2.624000 
1 1 1   61    1   17 o   3.2390   1.0720   2.7360   1.3430   3.7420   1.6710 -1.007000 2.144000 
1 1 1   61    1   18 o   2.6610   0.9274   2.6020   1.2880   2.7200   1.3340 -0.1177000 1.855000 
1 1 1   61    1   19 o   2.7480   0.9536   2.5180   1.2570   2.9780   1.4350 -0.4599000 1.907000 
1 1 1   61    3    0 o   9.6190   0.5647   8.7770   0.9072   10.460   0.6727 -1.683000 1.129000 
1 1 1   61    3    1 o   9.6200   0.6092   9.1610   0.8930   10.080   0.8288 -0.9169000 1.218000 
1 1 1   61    3    2 o   3.9440   1.1660   4.2400   1.6600   3.6490   1.6380 0.5911000 2.332000 
1 1 1   61    3    3 o   5.3920   0.9823   7.6540   1.3900   3.1290   1.3880 4.524000 1.965000 
1 1 1   61    3    4 o   6.4270   1.0450   6.8100   1.4620   6.0440   1.4930 0.7657000 2.090000 
1 1 1   61    3    5 o   4.8130   1.1720   4.6810   1.6770   4.9450   1.6380 -0.2645000 2.345000 
1 1 1   61    3    6 o   10.920   0.6700   10.220   1.0080   11.630   0.8826 -1.411000 1.340000 
1 1 1   61    3    7 o   7.3570   1.1340   6.9300   1.6700   7.7830   1.5360 -0.8532000 2.269000 
1 1 1   61    3    8 o   9.7930   0.8892   10.210   1.1600   9.3810   1.3480 0.8240000 1.778000 
1 1 1   61    3    9 o   3.6080   1.1140   3.1350   1.4540   4.0820   1.6870 -0.9470000 2.227000 
1 1 1   61    3   10 o   5.4260   1.2950   4.7730   1.7600   6.0780   1.9000 -1.305000 2.590000 
1 1 1   61    3   11 o   7.7570   1.2340   8.4030   1.6120   7.1120   1.8680 1.291000 2.468000 
1 1 1   61    3   12 o   7.4440   1.1770   8.4470   1.4710   6.4400   1.8380 2.007000 2.354000 
1 1 1   61    3   13 o   3.4110   1.1370   3.4000   1.6080   3.4230   1.6090 -0.2242000E-01 2.275000 
1 1 1   61    3   14 o   3.8850   1.1950   3.6610   1.6480   4.1090   1.7320 -0.4478000 2.390000 
1 1 1   61    3   15 o   3.8660   1.2190   4.6270   1.9180   3.1050   1.5060 1.521000 2.439000 
1 1 1   61    3   16 o   2.8530   0.9764   2.4050   1.2030   3.3020   1.5380 -0.8968000 1.953000 
1 1 1   61    3   17 o   4.7170   1.2870   5.2590   1.8800   4.1760   1.7580 1.083000 2.574000 
1 1 1   61    3   18 o   3.1850   1.0560   2.7920   1.3630   3.5790   1.6140 -0.7867000 2.113000 
1 1 1   61    3   19 o   2.6730   0.9286   3.1690   1.4940   2.1770   1.1040 0.9920000 1.857000 
1 1 1   61    5    0 f   13.690   0.4017   13.360   0.5574   14.020   0.5786 -0.6656000 0.8034000 
1 1 1   61    5    1 o   19.120   0.3262   19.580   0.4506   18.650   0.4719 0.9291000 0.6525000 
1 1 1   61    5    2 o   15.310   0.4129   14.810   0.5887   15.800   0.5792 -0.9895000 0.8259000 
1 1 1   61    5    3 o   4.4710   1.2050   5.3600   1.7670   3.5820   1.6400 1.778000 2.411000 
1 1 1   61    5    4 o   3.7380   1.1010   3.7410   1.5740   3.7360   1.5400 0.4367000E-02 2.201000 
1 1 1   61    5    5 o   7.1750   1.0190   4.5440   1.7300   9.8060   1.0760 -5.262000 2.037000 
1 1 1   61    5    6 o   7.1240   1.1370   6.7740   1.6800   7.4740   1.5320 -0.7003000 2.274000 
1 1 1   61    5    7 o   4.2250   1.1440   3.2580   1.4820   5.1930   1.7420 -1.935000 2.287000 
1 1 1   61    5    8 f   3.8060   1.1240   4.4920   1.7210   3.1190   1.4460 1.373000 2.247000 
1 1 1   61    5    9 o   7.0810   1.1070   5.7440   1.7580   8.4190   1.3450 -2.675000 2.213000 
1 1 1   61    5   10 o   4.4250   1.1880   3.5380   1.5830   5.3130   1.7720 -1.775000 2.376000 
1 1 1   61    5   11 o   3.5290   1.1820   3.1230   1.5370   3.9350   1.7970 -0.8117000 2.365000 
1 1 1   61    5   12 o   3.9460   1.2170   4.7220   1.9040   3.1700   1.5160 1.552000 2.434000 
1 1 1   61    5   13 o   4.8190   1.2910   4.6490   1.8030   4.9890   1.8480 -0.3392000 2.582000 
1 1 1   61    5   14 o   3.8420   1.1890   3.6730   1.6460   4.0110   1.7160 -0.3381000 2.378000 
1 1 1   61    5   15 o   3.8700   1.2370   4.0530   1.7940   3.6870   1.7050 0.3659000 2.475000 
1 1 1   61    5   16 o   3.2230   1.0930   2.8790   1.4170   3.5660   1.6660 -0.6869000 2.187000 
1 1 1   61    5   17 o   2.9900   1.0140   2.8600   1.3860   3.1190   1.4790 -0.2590000 2.027000 
1 1 1   61    5   18 o   3.1510   1.0500   2.7940   1.3630   3.5070   1.5960 -0.7123000 2.099000 
1 1 1   61    5   19 o   2.2080   0.7907   2.0450   1.0430   2.3700   1.1890 -0.3241000 1.581000 
1 1 1   61    7    0 o   12.420   0.4774   12.790   0.6793   12.040   0.6710 0.7512000 0.9548000 
1 1 1   61    7    1 o   18.210   0.3375   18.640   0.4732   17.790   0.4815 0.8486000 0.6751000 
1 1 1   61    7    2 o   9.3130   0.6881   9.9710   0.9347   8.6560   1.0100 1.315000 1.376000 
1 1 1   61    7    3 o   5.0330   1.3290   4.8470   1.6540   5.2190   2.0810 -0.3718000 2.658000 
1 1 1   61    7    4 o   5.7030   1.3480   6.5230   1.7610   4.8840   2.0410 1.639000 2.696000 
1 1 1   61    7    5 o   8.5870   0.8882   8.3400   1.3210   8.8340   1.1880 -0.4933000 1.776000 
1 1 1   61    7    6 o   9.1040   0.8309   8.4620   1.2650   9.7450   1.0780 -1.283000 1.662000 
1 1 1   61    7    7 o   6.2370   1.1460   5.1640   1.7370   7.3110   1.4950 -2.147000 2.292000 
1 1 1   61    7    8 o   5.4390   1.2290   5.9660   1.7240   4.9120   1.7540 1.054000 2.459000 
1 1 1   61    7    9 o   5.4460   1.2110   4.2620   1.7350   6.6290   1.6900 -2.367000 2.422000 
1 1 1   61    7   10 o   4.3330   1.2660   4.3290   1.8070   4.3370   1.7750 -0.7479000E-02 2.533000 
1 1 1   61    7   11 o   3.7470   1.1970   3.5540   1.6390   3.9400   1.7460 -0.3857000 2.395000 
1 1 1   61    7   12 o   4.3060   1.2630   4.3050   1.8270   4.3070   1.7450 -0.2409000E-02 2.526000 
1 1 1   61    7   13 o   4.3300   1.2380   4.4740   1.7790   4.1860   1.7210 0.2888000 2.475000 
1 1 1   61    7   14 o   4.3330   1.2400   4.9170   1.8630   3.7490   1.6380 1.168000 2.481000 
1 1 1   61    7   15 o   3.0970   1.0420   3.4190   1.5860   2.7740   1.3530 0.6448000 2.085000 
1 1 1   61    7   16 o   3.0010   1.0350   3.0960   1.4980   2.9070   1.4290 0.1899000 2.070000 
1 1 1   61    7   17 o   3.5190   1.1290   3.6260   1.6300   3.4120   1.5610 0.2139000 2.257000 
1 1 1   61    7   18 o   2.5460   0.8910   2.6640   1.3080   2.4280   1.2100 0.2366000 1.782000 
1 1 1   61    9    0 o   12.360   0.5700   11.640   0.8820   13.090   0.7222 -1.457000 1.140000 
1 1 1   61    9    1 o   10.110   0.5631   10.380   0.7875   9.8520   0.8051 0.5242000 1.126000 
1 1 1   61    9    2 o   11.400   0.5346   11.700   0.7280   11.110   0.7832 0.5870000 1.069000 
1 1 1   61    9    3 o   4.1750   1.1030   4.0810   1.5470   4.2690   1.5720 -0.1890000 2.206000 
1 1 1   61    9    4 o   5.2460   1.3230   4.8480   1.7870   5.6450   1.9530 -0.7978000 2.647000 
1 1 1   61    9    5 o   4.0520   1.1220   4.4310   1.6220   3.6740   1.5510 0.7571000 2.244000 
1 1 1   61    9    6 o   4.5020   1.2030   4.4630   1.7250   4.5410   1.6780 -0.7811000E-01 2.406000 
1 1 1   61    9    7 o   6.5030   1.2310   5.6840   1.8520   7.3220   1.6220 -1.638000 2.462000 
1 1 1   61    9    8 o   3.7140   1.1730   3.9920   1.7380   3.4360   1.5740 0.5561000 2.345000 
1 1 1   61    9    9 o   6.9680   1.1630   6.1530   1.7600   7.7820   1.5230 -1.628000 2.327000 
1 1 1   61    9   10 o   6.5040   1.2040   5.9030   1.7800   7.1050   1.6230 -1.201000 2.409000 
1 1 1   61    9   11 o   3.3710   1.1260   3.5780   1.6620   3.1650   1.5200 0.4126000 2.252000 
1 1 1   61    9   12 o   3.6060   1.1580   4.0320   1.7830   3.1800   1.4790 0.8514000 2.317000 
1 1 1   61    9   13 o   3.1340   1.0220   3.9950   1.6960   2.2730   1.1410 1.722000 2.044000 
1 1 1   61    9   14 o   3.3040   1.0670   4.0090   1.7090   2.5990   1.2790 1.409000 2.135000 
1 1 1   61    9   15 o   3.7940   1.1570   4.4210   1.7730   3.1680   1.4860 1.253000 2.313000 
1 1 1   61    9   16 o   4.5290   1.3190   3.8480   1.7200   5.2110   2.0000 -1.363000 2.638000 
1 1 1   61    9   17 o   3.2190   1.0590   3.2740   1.5160   3.1640   1.4790 0.1095000 2.118000 
1 1 1   61   11    0 o   9.3300   0.7927   8.4020   1.2600   10.260   0.9618 -1.855000 1.585000 
1 1 1   61   11    1 o   7.0700   0.8673   6.9970   1.2470   7.1440   1.2060 -0.1465000 1.735000 
1 1 1   61   11    2 o   3.8200   1.0120   2.7150   1.2680   4.9240   1.5770 -2.209000 2.023000 
1 1 1   61   11    3 o   6.4000   1.2070   6.1850   1.4950   6.6150   1.8940 -0.4298000 2.413000 
1 1 1   61   11    4 o   6.0620   1.2320   8.0330   1.6770   4.0900   1.8060 3.943000 2.464000 
1 1 1   61   11    5 o   4.0770   1.1680   4.1150   1.6410   4.0400   1.6620 0.7462000E-01 2.335000 
1 1 1   61   11    6 o   7.7740   1.0770   8.3450   1.3810   7.2030   1.6520 1.142000 2.153000 
1 1 1   61   11    7 o   9.4240   0.8420   9.7330   1.1310   9.1160   1.2480 0.6167000 1.684000 
1 1 1   61   11    8 o   7.2720   1.1260   6.9990   1.5960   7.5460   1.5900 -0.5467000 2.253000 
1 1 1   61   11    9 o   6.0220   1.2510   6.3070   1.7260   5.7370   1.8110 0.5700000 2.502000 
1 1 1   61   11   10 o   3.0810   1.0110   2.4130   1.2000   3.7490   1.6280 -1.336000 2.022000 
1 1 1   61   11   11 o   3.3330   1.1220   2.9480   1.4480   3.7170   1.7150 -0.7690000 2.245000 
1 1 1   61   11   12 o   3.6660   1.1490   4.1230   1.7440   3.2080   1.4970 0.9150000 2.298000 
1 1 1   61   11   13 o   3.3720   1.0940   3.2400   1.5160   3.5030   1.5790 -0.2631000 2.189000 
1 1 1   61   11   14 o   3.3430   1.0840   3.0470   1.4430   3.6390   1.6170 -0.5915000 2.167000 
1 1 1   61   11   15 o   3.7070   1.1950   3.8070   1.7090   3.6080   1.6710 0.1993000 2.390000 
1 1 1   61   11   16 o   2.3860   0.8572   2.6250   1.3160   2.1480   1.0980 0.4768000 1.714000 
1 1 1   61   11   17 o   2.1270   1.1020   2.1270   1.1020  ?   ?       ?      ? 
1 1 1   61   13    0 o   10.550   0.5899   10.520   0.7995   10.580   0.8676 -0.6317000E-01 1.180000 
1 1 1   61   13    1 o   5.5200   1.1260   5.5870   1.5400   5.4540   1.6420 0.1332000 2.251000 
1 1 1   61   13    2 o   4.5990   1.1670   4.3130   1.6250   4.8840   1.6760 -0.5714000 2.335000 
1 1 1   61   13    3 o   9.7780   0.8650   9.4940   1.1850   10.060   1.2610 -0.5676000 1.730000 
1 1 1   61   13    4 o   5.0910   1.0360   6.7020   1.4020   3.4810   1.5250 3.221000 2.072000 
1 1 1   61   13    5 o   3.1810   1.0200   3.4700   1.5120   2.8920   1.3700 0.5783000 2.040000 
1 1 1   61   13    6 o   4.0820   1.1690   3.9120   1.6080   4.2530   1.6970 -0.3405000 2.338000 
1 1 1   61   13    7 o   3.7220   1.1200   3.0210   1.4140   4.4220   1.7360 -1.401000 2.239000 
1 1 1   61   13    8 o   4.4750   1.2260   4.8300   1.7630   4.1210   1.7030 0.7095000 2.451000 
1 1 1   61   13    9 o   3.8840   1.1820   3.7120   1.6480   4.0570   1.6940 -0.3443000 2.363000 
1 1 1   61   13   10 f   3.4040   1.0980   3.7870   1.6320   3.0210   1.4700 0.7662000 2.196000 
1 1 1   61   13   11 o   3.9250   1.2440   3.6450   1.6800   4.2040   1.8340 -0.5593000 2.488000 
1 1 1   61   13   12 o   2.9070   0.9867   2.6590   1.3020   3.1550   1.4830 -0.4965000 1.973000 
1 1 1   61   13   13 o   2.9130   0.9873   3.0510   1.4470   2.7760   1.3430 0.2750000 1.975000 
1 1 1   61   13   14 o   3.5580   1.1170   2.9800   1.4400   4.1360   1.7070 -1.156000 2.234000 
1 1 1   61   13   15 o   3.1420   1.0830   3.6740   1.7220   2.6100   1.3130 1.064000 2.166000 
1 1 1   61   15    0 o   7.6060   0.8628   7.5250   1.1570   7.6880   1.2810 -0.1629000 1.726000 
1 1 1   61   15    1 o   6.6530   1.0580   8.3190   1.1060   4.9880   1.8040 3.331000 2.116000 
1 1 1   61   15    2 o   10.680   0.8105   11.910   0.9384   9.4420   1.3220 2.472000 1.621000 
1 1 1   61   15    3 f   7.6310   0.9409   7.4180   1.2970   7.8440   1.3630 -0.4259000 1.882000 
1 1 1   61   15    4 o   5.2910   1.1700   6.1850   1.6090   4.3970   1.7000 1.789000 2.341000 
1 1 1   61   15    5 o   3.6850   1.0900   4.5090   1.7000   2.8600   1.3650 1.649000 2.180000 
1 1 1   61   15    6 o   4.0910   1.1660   4.6190   1.7190   3.5640   1.5770 1.055000 2.333000 
1 1 1   61   15    7 o   3.9240   1.1410   4.7640   1.7660   3.0850   1.4470 1.679000 2.283000 
1 1 1   61   15    8 o   3.7080   1.1260   3.0780   1.4420   4.3370   1.7300 -1.259000 2.252000 
1 1 1   61   15    9 o   3.1350   1.0350   2.7580   1.3350   3.5120   1.5830 -0.7535000 2.070000 
1 1 1   61   15   10 o   3.7490   1.1910   2.7690   1.3740   4.7290   1.9460 -1.960000 2.382000 
1 1 1   61   15   11 o   2.9930   1.0060   2.7890   1.3480   3.1980   1.4920 -0.4090000 2.011000 
1 1 1   61   15   12 o   2.7820   0.9603   3.1340   1.4860   2.4310   1.2170 0.7033000 1.921000 
1 1 1   61   15   13 o   2.2360   0.7999   2.2890   1.1550   2.1830   1.1070 0.1058000 1.600000 
1 1 1   61   15   14 o   2.3720   0.8569   2.2570   1.1560   2.4870   1.2650 -0.2296000 1.714000 
1 1 1   61   17    0 o   3.5050   1.1020   3.6390   1.5700   3.3720   1.5460 0.2669000 2.203000 
1 1 1   61   17    1 o   6.0020   1.1570   7.6440   1.4820   4.3590   1.7780 3.285000 2.315000 
1 1 1   61   17    2 o   9.4700   0.7690   9.4130   1.0800   9.5260   1.0950 -0.1122000 1.538000 
1 1 1   61   17    3 o   4.2780   1.1880   4.3290   1.6620   4.2260   1.6970 0.1027000 2.376000 
1 1 1   61   17    4 o   5.3990   1.2370   4.9790   1.7160   5.8190   1.7810 -0.8401000 2.474000 
1 1 1   61   17    5 o   4.2770   1.1620   3.2540   1.4790   5.3010   1.7910 -2.047000 2.323000 
1 1 1   61   17    6 o   5.2790   1.0710   7.2490   1.5160   3.3100   1.5140 3.940000 2.142000 
1 1 1   61   17    7 o   2.9900   0.9935   3.2560   1.4840   2.7230   1.3210 0.5327000 1.987000 
1 1 1   61   17    8 o   2.9570   0.9894   2.6050   1.2710   3.3090   1.5170 -0.7042000 1.979000 
1 1 1   61   17    9 o   3.1760   1.0930   3.4930   1.6570   2.8590   1.4250 0.6336000 2.186000 
1 1 1   61   17   10 o   2.7500   0.9675   3.1370   1.5260   2.3630   1.1890 0.7746000 1.935000 
1 1 1   61   17   11 o   2.5960   0.9039   2.8360   1.3660   2.3560   1.1850 0.4798000 1.808000 
1 1 1   61   17   12 o   2.4080   0.8779   2.4360   1.2500   2.3790   1.2330 0.5699000E-01 1.756000 
1 1 1   61   19    0 o   3.6910   1.0850   3.0790   1.4030   4.3020   1.6560 -1.223000 2.170000 
1 1 1   61   19    1 o   2.4510   0.8516   2.6300   1.2720   2.2730   1.1320 0.3569000 1.703000 
1 1 1   61   19    2 o   3.3430   1.0620   3.4890   1.5370   3.1970   1.4670 0.2927000 2.125000 
1 1 1   61   19    3 o   3.7120   1.1040   4.5050   1.7250   2.9180   1.3780 1.586000 2.208000 
1 1 1   61   19    4 o   3.2650   1.0450   3.3860   1.5080   3.1440   1.4480 0.2427000 2.090000 
1 1 1   61   19    5 o   3.1810   1.0480   3.1790   1.4820   3.1820   1.4820 -0.3071000E-02 2.096000 
1 1 1   61   19    6 o   2.9690   1.0010   2.9810   1.4150   2.9560   1.4160 0.2470000E-01 2.002000 
1 1 1   61   19    7 o   3.1160   1.0380   2.8330   1.3690   3.3980   1.5600 -0.5657000 2.076000 
1 1 1   61   19    8 o   2.3830   0.8516   2.4300   1.2250   2.3360   1.1840 0.9474000E-01 1.703000 
1 1 1   61   19    9 o   2.5560   0.8885   2.7370   1.3270   2.3750   1.1820 0.3616000 1.777000 
1 1 1   61   21    0 o   3.3450   1.0700   3.5570   1.5660   3.1330   1.4580 0.4233000 2.140000 
1 1 1   61   21    1 o   4.0280   1.1910   4.1100   1.6950   3.9460   1.6720 0.1636000 2.381000 
1 1 1   61   21    2 o   2.4040   0.8418   2.8100   1.3420   1.9980   1.0160 0.8124000 1.684000 
1 1 1   61   21    3 o   2.4510   0.8516   2.3740   1.1710   2.5280   1.2370 -0.1539000 1.703000 
1 1 1   61   21    4 o   2.4630   0.8562   2.4300   1.1970   2.4960   1.2250 -0.6536000E-01 1.712000 
1 1 1   61   21    5 o   2.1510   0.7639   2.0860   1.0510   2.2160   1.1090 -0.1299000 1.528000 
1 1 1   61   21    6 o   2.1340   0.7849   2.0350   1.0580   2.2340   1.1600 -0.1982000 1.570000 
1 1 1   61   23    0 o   1.0820   0.5649   1.0820   0.5649  ?   ?       ?      ? 
1 1 1   62    0    0 o   7.4130   1.8580   7.4130   1.8580   7.4130   1.8580 0.000000 0.000000 
1 1 1   62    0    1 o   11.700   0.7276   11.700   0.7276   11.700   0.7276 0.000000 0.000000 
1 1 1   62    0    2 o   4.5380   1.9320   4.5380   1.9320   4.5380   1.9320 -0.000000 0.000000 
1 1 1   62    0    3 o   1.6890   1.2070   1.6890   1.2070   1.6890   1.2070 -0.000000 0.000000 
1 1 1   62    0    4 o   3.9110   1.9930   3.9110   1.9930   3.9110   1.9930 0.000000 0.000000 
1 1 1   62    0    5 o   11.440   0.8935   11.440   0.8935   11.440   0.8935 -0.000000 0.000000 
1 1 1   62    0    6 o   1.8050   1.2840   1.8050   1.2840   1.8050   1.2840 -0.000000 0.000000 
1 1 1   62    0    7 o   7.3040   1.6910   7.3040   1.6910   7.3040   1.6910 0.000000 0.000000 
1 1 1   62    0    8 o   2.2820   1.5510   2.2820   1.5510   2.2820   1.5510 -0.000000 0.000000 
1 1 1   62    0    9 o   2.6670   1.8050   2.6670   1.8050   2.6670   1.8050 0.000000 0.000000 
1 1 1   62    0   10 o   8.5210   1.7400   8.5210   1.7400   8.5210   1.7400 0.000000 0.000000 
1 1 1   62    0   11 o   2.5250   1.6850   2.5250   1.6850   2.5250   1.6850 -0.000000 0.000000 
1 1 1   62    0   12 o   2.8750   1.8460   2.8750   1.8460   2.8750   1.8460 -0.000000 0.000000 
1 1 1   62    0   13 o   5.3830   2.2800   5.3830   2.2800   5.3830   2.2800 0.000000 0.000000 
1 1 1   62    0   14 o   3.2210   2.1360   3.2210   2.1360   3.2210   2.1360 -0.000000 0.000000 
1 1 1   62    0   15 o   4.4760   2.2750   4.4760   2.2750   4.4760   2.2750 -0.000000 0.000000 
1 1 1   62    0   16 f   3.8240   2.1610   3.8240   2.1610   3.8240   2.1610 0.000000 0.000000 
1 1 1   62    0   17 o   2.0200   1.4380   2.0200   1.4380   2.0200   1.4380 0.000000 0.000000 
1 1 1   62    0   18 o   2.5040   1.6930   2.5040   1.6930   2.5040   1.6930 0.000000 0.000000 
1 1 1   62    0   19 o   2.2520   1.5670   2.2520   1.5670   2.2520   1.5670 0.000000 0.000000 
1 1 1   62    2    0 f   10.490   0.5503   9.8440   0.8397   11.140   0.7115 -1.296000 1.101000 
1 1 1   62    2    1 o   8.4540   1.1600   9.3810   1.1110   7.5260   2.0360 1.855000 2.319000 
1 1 1   62    2    2 o   3.8270   1.0940   4.5310   1.6870   3.1220   1.3940 1.408000 2.188000 
1 1 1   62    2    3 o   3.7710   1.0740   4.4060   1.6290   3.1360   1.4000 1.269000 2.148000 
1 1 1   62    2    4 o   4.9710   1.0870   6.3690   1.5600   3.5730   1.5130 2.796000 2.174000 
1 1 1   62    2    5 o   4.3630   1.1660   4.3710   1.6670   4.3560   1.6330 0.1515000E-01 2.333000 
1 1 1   62    2    6 o   9.6400   0.7655   9.9640   1.0430   9.3170   1.1210 0.6467000 1.531000 
1 1 1   62    2    7 o   5.1600   1.1990   5.7390   1.6810   4.5820   1.7090 1.157000 2.397000 
1 1 1   62    2    8 o   4.5170   1.2640   4.4230   1.7770   4.6110   1.7970 -0.1884000 2.527000 
1 1 1   62    2    9 o   5.0860   1.2270   4.3880   1.7210   5.7840   1.7500 -1.396000 2.455000 
1 1 1   62    2   10 o   5.8450   1.3560   5.8480   1.8950   5.8410   1.9390 0.7603000E-02 2.711000 
1 1 1   62    2   11 o   5.4500   1.3050   5.5490   1.8080   5.3520   1.8810 0.1961000 2.609000 
1 1 1   62    2   12 o   3.6690   1.1390   4.3940   1.7810   2.9450   1.4210 1.450000 2.278000 
1 1 1   62    2   13 o   3.4270   1.1360   2.9590   1.4530   3.8950   1.7470 -0.9363000 2.273000 
1 1 1   62    2   14 o   2.9830   1.0140   2.7620   1.3510   3.2030   1.5130 -0.4406000 2.029000 
1 1 1   62    2   15 o   4.5020   1.3030   5.4510   2.0010   3.5530   1.6690 1.898000 2.606000 
1 1 1   62    2   16 o   4.1600   1.2330   4.0260   1.7200   4.2930   1.7660 -0.2670000 2.466000 
1 1 1   62    2   17 o   2.9040   0.9915   2.5680   1.2760   3.2400   1.5180 -0.6724000 1.983000 
1 1 1   62    2   18 o   3.1620   1.0670   3.2680   1.5610   3.0560   1.4550 0.2115000 2.134000 
1 1 1   62    2   19 o   2.5820   0.9049   2.7490   1.3460   2.4150   1.2100 0.3343000 1.810000 
1 1 1   62    4    0 o   18.640   0.3171   18.410   0.4671   18.880   0.4290 -0.4753000 0.6341000 
1 1 1   62    4    1 o   17.380   0.3577   16.850   0.5292   17.900   0.4814 -1.051000 0.7154000 
1 1 1   62    4    2 o   12.930   0.6640   12.750   0.8724   13.100   1.0010 -0.3543000 1.328000 
1 1 1   62    4    3 o   4.1420   1.2210   3.5690   1.5820   4.7150   1.8610 -1.146000 2.442000 
1 1 1   62    4    4 o   5.9320   1.1080   5.6240   1.6370   6.2410   1.4940 -0.6169000 2.216000 
1 1 1   62    4    5 o   7.3080   0.9900   7.3470   1.4310   7.2700   1.3690 0.7728000E-01 1.980000 
1 1 1   62    4    6 o   7.5710   1.1080   7.5960   1.5650   7.5460   1.5690 0.4967000E-01 2.216000 
1 1 1   62    4    7 o   2.9460   0.9954   2.7730   1.3450   3.1190   1.4680 -0.3469000 1.991000 
1 1 1   62    4    8 o   3.8780   1.1360   4.6300   1.7520   3.1260   1.4450 1.504000 2.271000 
1 1 1   62    4    9 o   4.2340   1.1920   4.8750   1.7900   3.5930   1.5760 1.281000 2.385000 
1 1 1   62    4   10 o   4.0840   1.2170   4.2680   1.7270   3.9000   1.7150 0.3672000 2.434000 
1 1 1   62    4   11 o   4.4990   1.3100   4.6800   1.8710   4.3190   1.8340 0.3612000 2.620000 
1 1 1   62    4   12 o   3.2910   1.0980   2.7170   1.3510   3.8650   1.7320 -1.148000 2.196000 
1 1 1   62    4   13 f   4.4030   1.1640   2.9070   1.4020   5.8990   1.8590 -2.992000 2.328000 
1 1 1   62    4   14 o   4.5590   1.2640   5.2740   1.8890   3.8440   1.6800 1.430000 2.528000 
1 1 1   62    4   15 o   3.8460   1.2370   3.7150   1.6990   3.9770   1.7980 -0.2623000 2.474000 
1 1 1   62    4   16 o   2.9430   0.9994   2.4040   1.2040   3.4820   1.5950 -1.078000 1.999000 
1 1 1   62    4   17 o   3.2520   1.0720   3.7030   1.6500   2.8010   1.3670 0.9011000 2.143000 
1 1 1   62    4   18 o   2.5160   0.8847   2.4810   1.2360   2.5500   1.2660 -0.6928000E-01 1.769000 
1 1 1   62    4   19 o   2.1220   0.7800   2.2320   1.1570   2.0120   1.0460 0.2199000 1.560000 
1 1 1   62    6    0 o   7.2020   0.7497   7.2500   1.1560   7.1540   0.9554 0.9665000E-01 1.499000 
1 1 1   62    6    1 o   4.1100   1.0270   4.1780   1.4730   4.0430   1.4320 0.1348000 2.055000 
1 1 1   62    6    2 o   9.2010   0.6368   9.0390   0.9218   9.3620   0.8788 -0.3234000 1.274000 
1 1 1   62    6    3 o   6.0860   1.3710   6.6520   1.9290   5.5210   1.9500 1.131000 2.743000 
1 1 1   62    6    4 o   3.9890   1.1460   3.8380   1.5950   4.1400   1.6460 -0.3026000 2.292000 
1 1 1   62    6    5 o   4.0540   1.1440   4.9250   1.7580   3.1820   1.4640 1.743000 2.288000 
1 1 1   62    6    6 o   7.6470   1.0180   8.6720   1.2520   6.6220   1.6050 2.050000 2.036000 
1 1 1   62    6    7 o   4.8070   1.2040   5.6540   1.7470   3.9600   1.6570 1.694000 2.408000 
1 1 1   62    6    8 o   3.8270   1.1200   2.9610   1.4020   4.6940   1.7470 -1.733000 2.240000 
1 1 1   62    6    9 o   7.5200   1.1060   6.8280   1.6870   8.2120   1.4310 -1.385000 2.212000 
1 1 1   62    6   10 o   7.2900   1.2760   7.8940   1.7520   6.6850   1.8550 1.209000 2.552000 
1 1 1   62    6   11 o   5.1350   1.4520   6.0150   2.2020   4.2550   1.8940 1.761000 2.905000 
1 1 1   62    6   12 o   3.3850   1.0940   3.3480   1.5380   3.4230   1.5570 -0.7411000E-01 2.189000 
1 1 1   62    6   13 o   5.7210   1.2900   5.4830   1.8490   5.9580   1.7990 -0.4750000 2.580000 
1 1 1   62    6   14 o   5.5830   1.2810   6.5230   1.8310   4.6440   1.7910 1.879000 2.561000 
1 1 1   62    6   15 o   2.8180   0.9833   2.8970   1.4220   2.7390   1.3590 0.1580000 1.967000 
1 1 1   62    6   16 o   2.3070   0.8285   2.4310   1.2260   2.1830   1.1150 0.2479000 1.657000 
1 1 1   62    6   17 o   2.7520   0.9489   2.5640   1.2700   2.9400   1.4100 -0.3758000 1.898000 
1 1 1   62    6   18 o   2.5240   0.8848   2.6300   1.2930   2.4180   1.2080 0.2124000 1.770000 
1 1 1   62    8    0 f   4.8670   1.0830   4.4540   1.6060   5.2790   1.4540 -0.8249000 2.167000 
1 1 1   62    8    1 o   10.780   0.5484   10.350   0.8315   11.210   0.7151 -0.8677000 1.097000 
1 1 1   62    8    2 o   10.830   0.5708   11.060   0.7627   10.610   0.8494 0.4501000 1.142000 
1 1 1   62    8    3 f   3.6720   1.0600   3.5510   1.4680   3.7920   1.5300 -0.2411000 2.120000 
1 1 1   62    8    4 o   10.160   0.9829   11.320   1.0700   9.0080   1.6490 2.308000 1.966000 
1 1 1   62    8    5 o   4.5020   1.0720   5.8400   1.5910   3.1650   1.4380 2.675000 2.144000 
1 1 1   62    8    6 f   8.0090   0.9460   8.0300   1.3530   7.9870   1.3220 0.4267000E-01 1.892000 
1 1 1   62    8    7 o   4.3380   1.2000   4.5370   1.7410   4.1400   1.6520 0.3967000 2.401000 
1 1 1   62    8    8 o   6.3960   1.2400   7.7430   1.6880   5.0490   1.8170 2.694000 2.481000 
1 1 1   62    8    9 o   4.3990   1.2210   3.5330   1.6090   5.2640   1.8370 -1.731000 2.442000 
1 1 1   62    8   10 o   5.3910   1.2550   5.7740   1.7760   5.0080   1.7740 0.7654000 2.510000 
1 1 1   62    8   11 o   5.8780   1.3450   4.6700   1.8860   7.0860   1.9190 -2.416000 2.691000 
1 1 1   62    8   12 f   5.1950   1.3320   4.9860   1.9480   5.4040   1.8180 -0.4185000 2.665000 
1 1 1   62    8   13 o   4.3220   1.1990   3.5130   1.6010   5.1300   1.7840 -1.617000 2.397000 
1 1 1   62    8   14 o   3.0830   1.0280   3.0170   1.4420   3.1490   1.4670 -0.1322000 2.057000 
1 1 1   62    8   15 o   2.9430   0.9994   3.4540   1.5780   2.4310   1.2260 1.023000 1.999000 
1 1 1   62    8   16 o   2.9300   1.0130   2.8410   1.3950   3.0190   1.4690 -0.1778000 2.025000 
1 1 1   62    8   17 o   2.7830   0.9549   2.8650   1.3800   2.7010   1.3210 0.1634000 1.910000 
1 1 1   62   10    0 o   15.880   0.6126   15.890   1.0430   15.870   0.6425 0.1981000E-01 1.225000 
1 1 1   62   10    1 o   5.6900   0.9751   7.0570   1.2080   4.3220   1.5310 2.735000 1.950000 
1 1 1   62   10    2 o   9.6090   0.6539   9.2460   0.9653   9.9730   0.8823 -0.7264000 1.308000 
1 1 1   62   10    3 o   8.0710   0.7968   8.2310   1.0930   7.9110   1.1590 0.3195000 1.594000 
1 1 1   62   10    4 o   11.950   0.7388   12.540   0.9440   11.360   1.1370 1.183000 1.478000 
1 1 1   62   10    5 o   3.2410   1.0240   2.8970   1.3470   3.5860   1.5430 -0.6886000 2.048000 
1 1 1   62   10    6 o   5.0740   1.2340   4.0710   1.6850   6.0780   1.8040 -2.007000 2.469000 
1 1 1   62   10    7 o   7.6220   1.2210   7.5390   1.8640   7.7060   1.5790 -0.1667000 2.442000 
1 1 1   62   10    8 o   8.6790   0.9861   10.360   1.0930   7.0030   1.6420 3.353000 1.972000 
1 1 1   62   10    9 o   3.6050   1.1090   4.3010   1.7280   2.9080   1.3900 1.392000 2.217000 
1 1 1   62   10   10 o   4.7530   1.2660   4.9230   1.8210   4.5840   1.7600 0.3390000 2.532000 
1 1 1   62   10   11 o   3.4980   1.1590   4.0560   1.8130   2.9410   1.4440 1.114000 2.318000 
1 1 1   62   10   12 o   7.3280   1.1530   6.0000   1.8280   8.6550   1.4050 -2.655000 2.306000 
1 1 1   62   10   13 o   3.9980   1.1680   4.8770   1.8220   3.1190   1.4630 1.758000 2.337000 
1 1 1   62   10   14 o   3.5060   1.1100   3.9010   1.6690   3.1110   1.4630 0.7898000 2.219000 
1 1 1   62   10   15 o   2.7360   0.9592   2.3130   1.1710   3.1600   1.5200 -0.8472000 1.918000 
1 1 1   62   10   16 o   2.6340   0.9263   2.6840   1.3300   2.5830   1.2900 0.1007000 1.853000 
1 1 1   62   12    0 o   9.5160   0.7435   8.9170   1.2430   10.120   0.8158 -1.198000 1.487000 
1 1 1   62   12    1 o   19.480   0.3596   19.550   0.4957   19.410   0.5212 0.1375000 0.7193000 
1 1 1   62   12    2 f   13.070   0.6079   13.600   0.8915   12.530   0.8266 1.066000 1.216000 
1 1 1   62   12    3 f   8.1780   1.1780   8.8620   1.4250   7.4950   1.8770 1.367000 2.357000 
1 1 1   62   12    4 o   7.2340   1.1440   8.4050   1.5410   6.0630   1.6900 2.342000 2.287000 
1 1 1   62   12    5 o   3.6340   1.0960   3.4600   1.5030   3.8080   1.5960 -0.3473000 2.192000 
1 1 1   62   12    6 o   4.6610   1.2130   4.4590   1.6880   4.8640   1.7420 -0.4056000 2.426000 
1 1 1   62   12    7 o   4.2360   1.2010   4.1400   1.6790   4.3310   1.7170 -0.1906000 2.402000 
1 1 1   62   12    8 o   3.6030   1.1040   2.9820   1.4110   4.2240   1.6980 -1.242000 2.207000 
1 1 1   62   12    9 o   3.3390   1.0690   2.9880   1.4160   3.6910   1.6020 -0.7023000 2.138000 
1 1 1   62   12   10 o   4.7660   1.2540   5.1000   1.8050   4.4330   1.7410 0.6667000 2.508000 
1 1 1   62   12   11 o   3.5970   1.1810   3.3900   1.6050   3.8040   1.7330 -0.4138000 2.362000 
1 1 1   62   12   12 o   4.9320   1.2760   5.3740   1.8530   4.4900   1.7540 0.8836000 2.552000 
1 1 1   62   12   13 o   4.4330   1.2280   5.1040   1.8390   3.7620   1.6290 1.342000 2.457000 
1 1 1   62   12   14 o   3.2560   1.0640   3.5670   1.6010   2.9450   1.4010 0.6220000 2.128000 
1 1 1   62   12   15 o   2.2860   0.8265   2.0210   1.0390   2.5520   1.2850 -0.5308000 1.653000 
1 1 1   62   14    0 o   13.720   0.4625   14.250   0.6053   13.190   0.6994 1.060000 0.9249000 
1 1 1   62   14    1 o   4.2970   1.1070   3.4430   1.4630   5.1510   1.6620 -1.708000 2.214000 
1 1 1   62   14    2 o   2.6530   0.9159   2.6380   1.2790   2.6690   1.3110 -0.3113000E-01 1.832000 
1 1 1   62   14    3 o   4.7850   1.2730   4.7780   1.7460   4.7920   1.8520 -0.1406000E-01 2.545000 
1 1 1   62   14    4 f   4.4710   1.1830   4.6020   1.6480   4.3410   1.6970 0.2602000 2.366000 
1 1 1   62   14    5 o   2.9520   0.9828   2.8850   1.3600   3.0190   1.4190 -0.1330000 1.966000 
1 1 1   62   14    6 o   3.3910   1.0750   3.0120   1.4110   3.7690   1.6240 -0.7564000 2.151000 
1 1 1   62   14    7 o   4.2180   1.1780   4.9780   1.7620   3.4580   1.5640 1.520000 2.356000 
1 1 1   62   14    8 o   4.0740   1.1740   3.3470   1.5180   4.8000   1.7920 -1.454000 2.348000 
1 1 1   62   14    9 o   4.2460   1.2040   4.8520   1.7810   3.6400   1.6200 1.212000 2.408000 
1 1 1   62   14   10 o   2.8500   0.9986   2.9950   1.4780   2.7050   1.3430 0.2901000 1.997000 
1 1 1   62   14   11 o   2.8850   0.9842   2.4810   1.2460   3.2890   1.5240 -0.8078000 1.968000 
1 1 1   62   14   12 o   3.1130   1.0340   3.0610   1.4430   3.1660   1.4820 -0.1052000 2.069000 
1 1 1   62   14   13 o   2.6860   0.9346   2.8390   1.3810   2.5330   1.2590 0.3067000 1.869000 
1 1 1   62   14   14 o   2.1050   0.7642   2.1680   1.1100   2.0420   1.0510 0.1266000 1.528000 
1 1 1   62   16    0 o   6.8980   0.9630   6.9640   1.2590   6.8330   1.4580 0.1307000 1.926000 
1 1 1   62   16    1 o   8.0880   1.0430   8.2750   1.3160   7.9010   1.6200 0.3737000 2.087000 
1 1 1   62   16    2 o   10.460   0.8281   10.460   1.0640   10.460   1.2700 -0.2796000E-02 1.656000 
1 1 1   62   16    3 o   10.700   0.6898   10.260   0.9642   11.140   0.9868 -0.8799000 1.380000 
1 1 1   62   16    4 o   4.7350   1.2150   5.1880   1.7120   4.2820   1.7240 0.9059000 2.430000 
1 1 1   62   16    5 o   3.9230   1.1240   4.7620   1.7230   3.0850   1.4440 1.677000 2.248000 
1 1 1   62   16    6 o   3.4270   1.0880   3.6350   1.5900   3.2180   1.4850 0.4171000 2.175000 
1 1 1   62   16    7 o   3.4330   1.0810   3.8500   1.6290   3.0160   1.4210 0.8341000 2.162000 
1 1 1   62   16    8 o   5.3150   1.2680   5.2280   1.7810   5.4020   1.8050 -0.1746000 2.536000 
1 1 1   62   16    9 o   4.7310   1.3100   4.2360   1.7100   5.2270   1.9850 -0.9914000 2.619000 
1 1 1   62   16   10 o   2.8580   0.9973   2.5570   1.2880   3.1590   1.5230 -0.6017000 1.995000 
1 1 1   62   16   11 f   2.5590   0.8973   2.6430   1.3040   2.4760   1.2330 0.1672000 1.795000 
1 1 1   62   16   12 o   2.2790   0.8110   2.2050   1.1090   2.3530   1.1830 -0.1477000 1.622000 
1 1 1   62   18    0 o   4.0640   1.1950   3.6140   1.5810   4.5140   1.7920 -0.9008000 2.390000 
1 1 1   62   18    1 o   4.1400   1.1460   3.7540   1.5570   4.5260   1.6830 -0.7723000 2.293000 
1 1 1   62   18    2 o   5.4280   1.1790   6.0170   1.6370   4.8390   1.6970 1.179000 2.358000 
1 1 1   62   18    3 o   4.4930   1.1920   5.0600   1.7330   3.9260   1.6360 1.134000 2.383000 
1 1 1   62   18    4 o   3.3430   1.0640   3.4900   1.5430   3.1960   1.4660 0.2936000 2.128000 
1 1 1   62   18    5 o   3.6830   1.1000   4.3520   1.6870   3.0140   1.4140 1.338000 2.201000 
1 1 1   62   18    6 o   2.5270   0.8766   2.2140   1.1110   2.8400   1.3560 -0.6260000 1.753000 
1 1 1   62   18    7 o   2.9830   1.0050   3.0290   1.4350   2.9370   1.4060 0.9186000E-01 2.009000 
1 1 1   62   18    8 o   2.6300   0.9230   2.8240   1.3710   2.4360   1.2370 0.3880000 1.846000 
1 1 1   62   18    9 o   2.3890   0.8578   2.1770   1.1090   2.6000   1.3090 -0.4222000 1.716000 
1 1 1   62   18   10 o   1.7250   0.6360   1.7280   0.9007   1.7230   0.8981 0.4657000E-02 1.272000 
1 1 1   62   20    0 o   4.5950   1.1670   5.0090   1.6590   4.1810   1.6410 0.8282000 2.334000 
1 1 1   62   20    1 o   3.6950   1.1270   4.0570   1.6650   3.3320   1.5200 0.7246000 2.254000 
1 1 1   62   20    2 o   2.5930   0.8982   2.6470   1.2880   2.5390   1.2520 0.1085000 1.796000 
1 1 1   62   20    3 o   2.6840   0.9218   2.5400   1.2500   2.8280   1.3550 -0.2874000 1.844000 
1 1 1   62   20    4 o   2.8290   0.9596   3.0180   1.4220   2.6400   1.2890 0.3771000 1.919000 
1 1 1   62   20    5 o   2.2400   0.7952   2.0740   1.0480   2.4060   1.1970 -0.3325000 1.590000 
1 1 1   62   20    6 o   3.0900   1.0120   2.7990   1.3410   3.3820   1.5160 -0.5833000 2.024000 
1 1 1   62   20    7 o   1.2420   0.6488  ?   ?    1.2420   0.6488      ?      ? 
1 1 1   62   22    0 o   3.0440   0.9938   2.8930   1.3590   3.1940   1.4500 -0.3007000 1.988000 
1 1 1   62   22    1 o   2.0300   0.7273   1.9690   1.0030   2.0920   1.0540 -0.1222000 1.455000 
1 1 1   63    1    0 o   7.2360   1.0290   7.9070   1.2510   6.5660   1.6340 1.341000 2.057000 
1 1 1   63    1    1 o   4.8320   1.2040   4.6880   1.6500   4.9760   1.7540 -0.2885000 2.408000 
1 1 1   63    1    2 o   2.7580   0.9069   3.1110   1.3880   2.4040   1.1670 0.7074000 1.814000 
1 1 1   63    1    3 o   8.3510   0.8346   9.1810   1.0880   7.5210   1.2660 1.660000 1.669000 
1 1 1   63    1    4 o   7.4120   0.9689   7.5160   1.3850   7.3080   1.3560 0.2081000 1.938000 
1 1 1   63    1    5 o   4.1630   1.0920   3.0380   1.4070   5.2890   1.6710 -2.252000 2.185000 
1 1 1   63    1    6 o   6.1740   0.9851   3.5330   1.5440   8.8150   1.2240 -5.281000 1.970000 
1 1 1   63    1    7 o   3.3220   1.0590   3.5010   1.5430   3.1430   1.4500 0.3577000 2.117000 
1 1 1   63    1    8 o   2.9860   1.0070   3.1280   1.4750   2.8440   1.3710 0.2835000 2.013000 
1 1 1   63    1    9 o   4.1970   1.2950   4.4470   1.8940   3.9460   1.7680 0.5008000 2.591000 
1 1 1   63    1   10 o   5.1930   1.3150   6.1260   1.9100   4.2600   1.8070 1.866000 2.629000 
1 1 1   63    1   11 f   7.1940   1.2040   7.6810   1.5980   6.7060   1.8010 0.9757000 2.408000 
1 1 1   63    1   12 o   3.9120   1.1930   4.2230   1.7500   3.6000   1.6200 0.6229000 2.385000 
1 1 1   63    1   13 o   5.0200   1.4070   5.0940   2.0270   4.9450   1.9520 0.1494000 2.814000 
1 1 1   63    1   14 f   4.2100   1.3620   3.9700   1.8550   4.4500   1.9940 -0.4800000 2.724000 
1 1 1   63    1   15 o   3.2920   1.0860   2.8460   1.3840   3.7380   1.6730 -0.8923000 2.171000 
1 1 1   63    1   16 o   3.7800   1.1740   4.2890   1.7810   3.2700   1.5310 1.019000 2.348000 
1 1 1   63    1   17 f   2.9290   0.9982   3.1490   1.4900   2.7100   1.3290 0.4393000 1.996000 
1 1 1   63    1   18 o   2.3850   0.8475   2.5830   1.2810   2.1880   1.1100 0.3945000 1.695000 
1 1 1   63    3    0 o   7.0940   0.7892   7.2960   1.1430   6.8930   1.0890 0.4031000 1.578000 
1 1 1   63    3    1 o   3.6390   1.0330   3.2580   1.4080   4.0210   1.5120 -0.7625000 2.066000 
1 1 1   63    3    2 o   11.240   0.7818   11.730   0.9552   10.750   1.2380 0.9779000 1.564000 
1 1 1   63    3    3 o   6.2860   1.0370   7.0620   1.3440   5.5100   1.5790 1.553000 2.074000 
1 1 1   63    3    4 o   4.7260   1.0660   3.3530   1.4810   6.1000   1.5350 -2.747000 2.133000 
1 1 1   63    3    5 o   3.8560   1.0540   5.1100   1.6910   2.6020   1.2570 2.509000 2.107000 
1 1 1   63    3    6 o   3.6450   1.0760   2.8130   1.3400   4.4780   1.6840 -1.664000 2.152000 
1 1 1   63    3    7 f   3.5190   1.1180   3.7770   1.6480   3.2610   1.5100 0.5159000 2.236000 
1 1 1   63    3    8 o   3.8300   1.1580   4.0080   1.6840   3.6520   1.5900 0.3559000 2.316000 
1 1 1   63    3    9 o   4.7280   1.1050   3.0050   1.4200   6.4510   1.6930 -3.446000 2.210000 
1 1 1   63    3   10 o   5.2470   1.3280   4.3570   1.8170   6.1360   1.9370 -1.779000 2.655000 
1 1 1   63    3   11 o   5.0880   1.2980   4.3740   1.8220   5.8020   1.8500 -1.428000 2.596000 
1 1 1   63    3   12 o   3.9280   1.2330   3.7480   1.7130   4.1090   1.7730 -0.3610000 2.465000 
1 1 1   63    3   13 o   3.5720   1.1680   3.3980   1.6120   3.7470   1.6920 -0.3487000 2.337000 
1 1 1   63    3   14 o   4.3030   1.2350   3.5240   1.6090   5.0810   1.8730 -1.557000 2.470000 
1 1 1   63    3   15 o   2.9000   1.0120   2.3910   1.2090   3.4080   1.6250 -1.017000 2.025000 
1 1 1   63    3   16 o   2.8450   0.9780   2.9760   1.4320   2.7140   1.3330 0.2613000 1.956000 
1 1 1   63    3   17 o   2.8430   0.9768   3.0780   1.4680   2.6080   1.2890 0.4701000 1.954000 
1 1 1   63    3   18 o   2.7800   0.9562   3.2830   1.5290   2.2770   1.1490 1.007000 1.912000 
1 1 1   63    5    0 o   8.6110   0.6394   9.5610   0.7774   7.6610   1.0150 1.900000 1.279000 
1 1 1   63    5    1 o   13.350   0.5039   14.290   0.7887   12.420   0.6275 1.867000 1.008000 
1 1 1   63    5    2 o   13.630   0.4604   14.090   0.6137   13.170   0.6866 0.9242000 0.9209000 
1 1 1   63    5    3 o   9.1920   0.9999   9.4380   1.2280   8.9470   1.5790 0.4909000 2.000000 
1 1 1   63    5    4 o   4.2640   1.0890   5.5220   1.6880   3.0050   1.3750 2.517000 2.177000 
1 1 1   63    5    5 f   5.8980   1.2220   6.0210   1.7450   5.7740   1.7120 0.2465000 2.444000 
1 1 1   63    5    6 o   5.5100   1.1110   3.5890   1.5650   7.4310   1.5760 -3.842000 2.221000 
1 1 1   63    5    7 o   4.7740   1.1650   5.8860   1.7130   3.6630   1.5800 2.223000 2.331000 
1 1 1   63    5    8 o   3.5210   1.1000   3.8890   1.6490   3.1530   1.4570 0.7366000 2.200000 
1 1 1   63    5    9 o   3.1870   1.0360   2.7600   1.3360   3.6150   1.5830 -0.8556000 2.071000 
1 1 1   63    5   10 o   4.6620   1.2290   3.9880   1.6810   5.3350   1.7940 -1.348000 2.458000 
1 1 1   63    5   11 o   4.2080   1.3150   3.4830   1.6750   4.9330   2.0270 -1.450000 2.630000 
1 1 1   63    5   12 o   3.1410   1.0390   2.7430   1.3350   3.5390   1.5920 -0.7956000 2.078000 
1 1 1   63    5   13 o   3.2580   1.0700   3.2920   1.5290   3.2240   1.4980 0.6766000E-01 2.140000 
1 1 1   63    5   14 o   3.4400   1.1060   3.2330   1.5070   3.6470   1.6180 -0.4144000 2.211000 
1 1 1   63    5   15 o   3.1740   1.0770   3.4640   1.6180   2.8840   1.4220 0.5800000 2.154000 
1 1 1   63    5   16 o   3.4090   1.1070   3.5950   1.6210   3.2230   1.5090 0.3716000 2.215000 
1 1 1   63    5   17 o   2.5330   0.8887   2.3200   1.1680   2.7460   1.3400 -0.4266000 1.777000 
1 1 1   63    5   18 o   2.3360   0.8425   2.4560   1.2510   2.2160   1.1290 0.2398000 1.685000 
1 1 1   63    7    0 o   12.440   0.4705   11.740   0.7078   13.130   0.6199 -1.394000 0.9409000 
1 1 1   63    7    1 o   5.5750   0.9726   5.5020   1.4570   5.6490   1.2890 -0.1468000 1.945000 
1 1 1   63    7    2 o   3.9860   1.0890   4.1540   1.5750   3.8190   1.5050 0.3356000 2.178000 
1 1 1   63    7    3 o   4.9720   1.3670   5.5650   1.9670   4.3790   1.8980 1.186000 2.733000 
1 1 1   63    7    4 o   3.2660   1.0830   2.8310   1.3660   3.7000   1.6820 -0.8691000 2.167000 
1 1 1   63    7    5 o   5.9200   1.1380   5.5780   1.6060   6.2630   1.6120 -0.6850000 2.275000 
1 1 1   63    7    6 o   3.4760   1.0740   3.0320   1.4150   3.9210   1.6180 -0.8884000 2.149000 
1 1 1   63    7    7 o   3.8620   1.1520   3.9270   1.6580   3.7980   1.6000 0.1292000 2.304000 
1 1 1   63    7    8 o   4.3540   1.2140   4.3630   1.7210   4.3450   1.7140 0.1783000E-01 2.428000 
1 1 1   63    7    9 o   5.2420   1.3340   5.5690   1.9050   4.9150   1.8680 0.6539000 2.668000 
1 1 1   63    7   10 o   4.0150   1.2280   3.8280   1.7010   4.2030   1.7730 -0.3754000 2.457000 
1 1 1   63    7   11 o   4.3810   1.2520   5.6270   2.0000   3.1350   1.5070 2.492000 2.504000 
1 1 1   63    7   12 o   3.7300   1.1300   2.9960   1.4310   4.4630   1.7490 -1.466000 2.260000 
1 1 1   63    7   13 o   2.6530   0.9198   2.8450   1.3780   2.4620   1.2190 0.3835000 1.840000 
1 1 1   63    7   14 o   3.1400   1.0260   3.9280   1.6830   2.3520   1.1740 1.575000 2.053000 
1 1 1   63    7   15 o   3.1580   1.0740   3.0570   1.4810   3.2590   1.5550 -0.2020000 2.148000 
1 1 1   63    7   16 o   2.6680   0.9383   2.6930   1.3370   2.6430   1.3170 0.5022000E-01 1.877000 
1 1 1   63    7   17 o   2.9230   0.9911   2.7300   1.3340   3.1170   1.4660 -0.3873000 1.982000 
1 1 1   63    9    0 o   7.0590   1.1370   5.2450   2.0540   8.8740   0.9746 -3.628000 2.274000 
1 1 1   63    9    1 o   8.7040   0.6582   9.2590   0.8898   8.1480   0.9703 1.111000 1.316000 
1 1 1   63    9    2 o   12.710   0.4948   12.840   0.6860   12.590   0.7133 0.2460000 0.9896000 
1 1 1   63    9    3 o   9.7870   0.6679   9.2630   0.9897   10.310   0.8971 -1.049000 1.336000 
1 1 1   63    9    4 o   7.0350   1.2380   6.9190   1.7580   7.1520   1.7430 -0.2326000 2.476000 
1 1 1   63    9    5 o   5.8780   1.1340   5.5460   1.6300   6.2090   1.5760 -0.6623000 2.267000 
1 1 1   63    9    6 o   3.7040   1.1160   3.6450   1.5700   3.7630   1.5880 -0.1183000 2.233000 
1 1 1   63    9    7 o   3.6030   1.1190   4.3100   1.7600   2.8960   1.3820 1.414000 2.238000 
1 1 1   63    9    8 o   5.5330   1.1230   7.8430   1.6690   3.2230   1.5030 4.620000 2.246000 
1 1 1   63    9    9 o   7.5220   1.1040   7.3290   1.6040   7.7150   1.5180 -0.3856000 2.208000 
1 1 1   63    9   10 o   3.0760   1.0230   3.3920   1.5540   2.7600   1.3320 0.6326000 2.047000 
1 1 1   63    9   11 o   3.8740   1.2180   3.2270   1.5570   4.5210   1.8730 -1.294000 2.436000 
1 1 1   63    9   12 o   2.8900   0.9818   3.0010   1.4350   2.7780   1.3410 0.2229000 1.964000 
1 1 1   63    9   13 f   3.0900   1.0170   2.4700   1.2300   3.7100   1.6190 -1.240000 2.033000 
1 1 1   63    9   14 o   2.8910   0.9801   2.7180   1.3250   3.0650   1.4450 -0.3474000 1.960000 
1 1 1   63    9   15 o   2.8050   0.9753   3.0750   1.4800   2.5350   1.2710 0.5400000 1.951000 
1 1 1   63    9   16 o   2.4680   0.8785   2.9250   1.4230   2.0110   1.0300 0.9138000 1.757000 
1 1 1   63   11    0 o   6.3940   1.3290   6.5940   2.1630   6.1940   1.5440 0.3999000 2.658000 
1 1 1   63   11    1 o   7.9330   0.7574   7.4950   1.1370   8.3720   1.0010 -0.8770000 1.515000 
1 1 1   63   11    2 o   12.450   0.5133   11.510   0.7586   13.390   0.6916 -1.875000 1.027000 
1 1 1   63   11    3 o   7.3750   1.0500   6.9700   1.3270   7.7800   1.6280 -0.8108000 2.100000 
1 1 1   63   11    4 o   3.4240   1.1280   2.8900   1.4020   3.9580   1.7670 -1.068000 2.255000 
1 1 1   63   11    5 o   4.1270   1.1770   4.4120   1.7010   3.8420   1.6270 0.5702000 2.354000 
1 1 1   63   11    6 o   4.2250   1.1890   3.9820   1.6500   4.4690   1.7110 -0.4872000 2.377000 
1 1 1   63   11    7 o   3.4340   1.0540   2.4120   1.1940   4.4570   1.7380 -2.045000 2.108000 
1 1 1   63   11    8 o   7.4500   1.0870   10.160   1.2790   4.7440   1.7570 5.412000 2.173000 
1 1 1   63   11    9 o   3.8910   1.1520   4.5940   1.7790   3.1880   1.4640 1.406000 2.304000 
1 1 1   63   11   10 o   4.2280   1.2170   4.3350   1.7650   4.1210   1.6760 0.2148000 2.434000 
1 1 1   63   11   11 o   2.9390   1.0160   2.8300   1.3960   3.0480   1.4760 -0.2181000 2.032000 
1 1 1   63   11   12 o   3.5390   1.1180   3.2450   1.5100   3.8330   1.6490 -0.5875000 2.236000 
1 1 1   63   11   13 o   4.2890   1.1870   3.3290   1.5320   5.2500   1.8130 -1.921000 2.374000 
1 1 1   63   11   14 o   3.1290   1.0370   3.0830   1.4510   3.1750   1.4800 -0.9206000E-01 2.073000 
1 1 1   63   11   15 o   2.6060   0.9161   2.6120   1.2970   2.6010   1.2940 0.1165000E-01 1.832000 
1 1 1   63   13    0 o   5.8800   1.1880   6.1370   1.8080   5.6220   1.5420 0.5144000 2.376000 
1 1 1   63   13    1 o   6.4930   1.0730   6.2950   1.4810   6.6920   1.5540 -0.3963000 2.147000 
1 1 1   63   13    2 o   3.9490   1.1010   4.0970   1.5590   3.8010   1.5560 0.2957000 2.203000 
1 1 1   63   13    3 o   6.1650   1.2660   5.9830   1.7210   6.3460   1.8570 -0.3629000 2.532000 
1 1 1   63   13    4 f   4.5260   1.1290   3.4180   1.4770   5.6330   1.7070 -2.215000 2.258000 
1 1 1   63   13    5 o   4.1130   1.1660   4.1800   1.6430   4.0460   1.6540 0.1345000 2.332000 
1 1 1   63   13    6 o   3.3550   1.0640   3.0070   1.4060   3.7030   1.5980 -0.6964000 2.129000 
1 1 1   63   13    7 o   4.1370   1.1910   4.2300   1.7000   4.0440   1.6680 0.1852000 2.382000 
1 1 1   63   13    8 o   6.0860   1.2320   5.6540   1.7780   6.5180   1.7070 -0.8638000 2.465000 
1 1 1   63   13    9 o   6.1740   1.2390   5.2660   1.8750   7.0820   1.6210 -1.816000 2.479000 
1 1 1   63   13   10 o   3.5760   1.1500   3.3690   1.5310   3.7830   1.7160 -0.4144000 2.300000 
1 1 1   63   13   11 o   3.6270   1.1580   4.4300   1.8500   2.8230   1.3930 1.607000 2.316000 
1 1 1   63   13   12 o   2.9240   0.9841   2.4770   1.2290   3.3710   1.5380 -0.8939000 1.968000 
1 1 1   63   13   13 o   3.4430   1.0680   2.5110   1.2390   4.3750   1.7400 -1.865000 2.136000 
1 1 1   63   13   14 o   2.0900   0.7631   2.0330   1.0450   2.1470   1.1130 -0.1144000 1.526000 
1 1 1   63   15    0 o   12.480   0.5452   12.810   0.7396   12.150   0.8012 0.6677000 1.090000 
1 1 1   63   15    1 o   6.2270   1.0710   6.8200   1.3780   5.6340   1.6400 1.186000 2.142000 
1 1 1   63   15    2 f   5.6320   1.0760   7.8570   1.4700   3.4070   1.5720 4.450000 2.152000 
1 1 1   63   15    3 o   3.6430   1.1130   3.3860   1.5390   3.8990   1.6090 -0.5131000 2.227000 
1 1 1   63   15    4 o   5.0950   1.2140   4.8460   1.6850   5.3440   1.7470 -0.4985000 2.428000 
1 1 1   63   15    5 o   4.2740   1.1030   5.5320   1.6920   3.0170   1.4170 2.515000 2.207000 
1 1 1   63   15    6 o   2.9500   0.9821   3.2860   1.4920   2.6130   1.2780 0.6723000 1.964000 
1 1 1   63   15    7 o   4.6000   1.1520   3.2370   1.4850   5.9620   1.7620 -2.725000 2.304000 
1 1 1   63   15    8 o   2.4960   0.8681   2.8390   1.3540   2.1530   1.0870 0.6863000 1.736000 
1 1 1   63   15    9 o   2.9930   1.0010   2.6670   1.2960   3.3190   1.5260 -0.6520000 2.002000 
1 1 1   63   15   10 o   3.3190   1.1060   2.8470   1.3960   3.7910   1.7160 -0.9441000 2.212000 
1 1 1   63   15   11 o   2.2370   0.7969   2.1290   1.0810   2.3450   1.1710 -0.2160000 1.594000 
1 1 1   63   15   12 o   2.8300   0.9698   3.0140   1.4380   2.6460   1.3020 0.3680000 1.940000 
1 1 1   63   17    0 o   3.6070   1.1220   3.5440   1.5440   3.6690   1.6270 -0.1250000 2.243000 
1 1 1   63   17    1 o   3.3310   1.0930   3.0940   1.4360   3.5670   1.6480 -0.4733000 2.186000 
1 1 1   63   17    2 o   3.2910   1.0420   2.9260   1.3560   3.6570   1.5820 -0.7303000 2.084000 
1 1 1   63   17    3 o   5.3590   1.2070   5.4200   1.6790   5.2970   1.7340 0.1236000 2.413000 
1 1 1   63   17    4 o   2.8370   0.9532   2.4480   1.2070   3.2260   1.4750 -0.7775000 1.906000 
1 1 1   63   17    5 f   3.1400   1.0250   3.4310   1.5300   2.8490   1.3630 0.5826000 2.049000 
1 1 1   63   17    6 o   2.5390   0.8813   2.6470   1.2870   2.4300   1.2040 0.2172000 1.763000 
1 1 1   63   17    7 o   2.5890   0.8953   2.9570   1.4000   2.2220   1.1170 0.7351000 1.791000 
1 1 1   63   17    8 o   5.0950   1.1090   7.1900   1.7110   3.0010   1.4130 4.189000 2.219000 
1 1 1   63   17    9 o   2.6900   0.9566   2.1720   1.1120   3.2080   1.5570 -1.036000 1.913000 
1 1 1   63   17   10 o   2.1190   0.7683   2.1220   1.0880   2.1150   1.0850 0.7208000E-02 1.537000 
1 1 1   63   19    0 o   4.7320   1.1820   5.6810   1.7630   3.7830   1.5740 1.898000 2.363000 
1 1 1   63   19    1 f   2.9730   0.9760   3.0360   1.3980   2.9100   1.3620 0.1263000 1.952000 
1 1 1   63   19    2 o   2.8120   0.9434   2.8570   1.3480   2.7660   1.3200 0.9098000E-01 1.887000 
1 1 1   63   19    3 o   3.1580   1.0220   3.0480   1.4140   3.2670   1.4760 -0.2195000 2.044000 
1 1 1   63   19    4 o   2.6460   0.9109   2.4100   1.1940   2.8830   1.3760 -0.4733000 1.822000 
1 1 1   63   19    5 o   2.3160   0.8201   2.0310   1.0320   2.6000   1.2750 -0.5687000 1.640000 
1 1 1   63   19    6 o   2.7380   0.9350   3.2830   1.5080   2.1940   1.1060 1.089000 1.870000 
1 1 1   63   19    7 o   2.7230   0.9289   3.1770   1.4570   2.2700   1.1520 0.9065000 1.858000 
1 1 1   63   21    0 o   3.6640   1.0530   4.8980   1.7310   2.4290   1.2010 2.469000 2.107000 
1 1 1   63   21    1 f   2.4050   0.8419   2.4460   1.2070   2.3650   1.1750 0.8114000E-01 1.684000 
1 1 1   63   21    2 o   2.1150   0.7579   2.4070   1.1950   1.8240   0.9331 0.5829000 1.516000 
1 1 1   63   21    3 o   1.8100   0.6650   1.6940   0.8749   1.9250   1.0020 -0.2304000 1.330000 
1 1 1   64    0    0 o   2.7190   1.6400   2.7190   1.6400   2.7190   1.6400 0.000000 0.000000 
1 1 1   64    0    1 o   7.4760   1.2390   7.4760   1.2390   7.4760   1.2390 -0.000000 0.000000 
1 1 1   64    0    2 o   2.4940   1.6320   2.4940   1.6320   2.4940   1.6320 -0.000000 0.000000 
1 1 1   64    0    3 f   2.4260   1.5840   2.4260   1.5840   2.4260   1.5840 -0.000000 0.000000 
1 1 1   64    0    4 o   2.5960   1.6640   2.5960   1.6640   2.5960   1.6640 -0.000000 0.000000 
1 1 1   64    0    5 o   2.0300   1.4080   2.0300   1.4080   2.0300   1.4080 0.000000 0.000000 
1 1 1   64    0    6 o   15.090   0.7243   15.090   0.7243   15.090   0.7243 -0.000000 0.000000 
1 1 1   64    0    7 o   6.3550   1.8610   6.3550   1.8610   6.3550   1.8610 -0.000000 0.000000 
1 1 1   64    0    8 o   3.0020   1.8450   3.0020   1.8450   3.0020   1.8450 -0.000000 0.000000 
1 1 1   64    0    9 o   3.0770   2.0040   3.0770   2.0040   3.0770   2.0040 -0.000000 0.000000 
1 1 1   64    0   10 o   3.1930   1.9440   3.1930   1.9440   3.1930   1.9440 0.000000 0.000000 
1 1 1   64    0   11 o   15.380   0.9363   15.380   0.9363   15.380   0.9363 -0.000000 0.000000 
1 1 1   64    0   12 o   3.6620   2.1150   3.6620   2.1150   3.6620   2.1150 -0.000000 0.000000 
1 1 1   64    0   13 o   3.0890   1.9420   3.0890   1.9420   3.0890   1.9420 -0.000000 0.000000 
1 1 1   64    0   14 o   2.7420   1.9060   2.7420   1.9060   2.7420   1.9060 -0.000000 0.000000 
1 1 1   64    0   15 o   9.6580   1.4310   9.6580   1.4310   9.6580   1.4310 -0.000000 0.000000 
1 1 1   64    0   16 o   3.5620   2.0910   3.5620   2.0910   3.5620   2.0910 -0.000000 0.000000 
1 1 1   64    0   17 o   2.4660   1.6770   2.4660   1.6770   2.4660   1.6770 -0.000000 0.000000 
1 1 1   64    0   18 o   1.8080   1.3190   1.8080   1.3190   1.8080   1.3190 -0.000000 0.000000 
1 1 1   64    2    0 o   7.1030   0.8496   7.4450   1.1710   6.7610   1.2310 0.6846000 1.699000 
1 1 1   64    2    1 f   8.4300   0.9576   7.9380   1.3780   8.9210   1.3300 -0.9835000 1.915000 
1 1 1   64    2    2 o   9.3140   0.7087   9.1270   1.0200   9.5000   0.9838 -0.3734000 1.417000 
1 1 1   64    2    3 o   7.4540   0.9940   7.0710   1.5530   7.8370   1.2410 -0.7660000 1.988000 
1 1 1   64    2    4 o   6.4030   1.0830   6.1240   1.6070   6.6820   1.4530 -0.5581000 2.167000 
1 1 1   64    2    5 o   3.2950   1.0350   2.8110   1.3360   3.7800   1.5810 -0.9690000 2.070000 
1 1 1   64    2    6 o   8.9420   0.8515   9.1180   1.1920   8.7660   1.2160 0.3520000 1.703000 
1 1 1   64    2    7 o   5.3320   1.2490   6.4570   1.8110   4.2070   1.7210 2.250000 2.498000 
1 1 1   64    2    8 o   6.9320   1.1260   9.5220   1.3880   4.3410   1.7720 5.181000 2.252000 
1 1 1   64    2    9 o   3.4680   1.1030   3.7350   1.6310   3.2000   1.4840 0.5356000 2.205000 
1 1 1   64    2   10 f   3.4020   1.1280   3.2980   1.5560   3.5070   1.6340 -0.2097000 2.256000 
1 1 1   64    2   11 o   4.4050   1.2160   5.2140   1.8250   3.5950   1.6080 1.619000 2.432000 
1 1 1   64    2   12 o   3.8760   1.1850   3.5320   1.6070   4.2200   1.7410 -0.6885000 2.369000 
1 1 1   64    2   13 f   3.4870   1.1580   3.5090   1.6580   3.4660   1.6170 0.4261000E-01 2.316000 
1 1 1   64    2   14 o   3.3880   1.1290   3.6750   1.6810   3.1010   1.5080 0.5744000 2.258000 
1 1 1   64    2   15 f   2.9760   1.0280   2.6270   1.3110   3.3260   1.5850 -0.6998000 2.057000 
1 1 1   64    2   16 o   3.0660   1.0220   3.7840   1.6700   2.3480   1.1780 1.436000 2.043000 
1 1 1   64    2   17 o   2.1480   0.7719   1.9330   0.9905   2.3630   1.1840 -0.4298000 1.544000 
1 1 1   64    2   18 o   2.0290   0.7455   2.0480   1.0640   2.0100   1.0450 0.3752000E-01 1.491000 
1 1 1   64    4    0 o   8.2300   0.6408   7.9580   1.0020   8.5020   0.7993 -0.5440000 1.282000 
1 1 1   64    4    1 o   6.2760   0.9221   5.3460   1.4860   7.2070   1.0920 -1.862000 1.844000 
1 1 1   64    4    2 o   3.8230   1.1690   3.1410   1.4580   4.5060   1.8280 -1.365000 2.338000 
1 1 1   64    4    3 f   10.490   0.6978   11.290   1.0090   9.6860   0.9642 1.602000 1.396000 
1 1 1   64    4    4 o   3.0470   0.9927   3.5370   1.5530   2.5560   1.2360 0.9808000 1.985000 
1 1 1   64    4    5 o   2.7430   0.9266   2.5400   1.2500   2.9460   1.3680 -0.4068000 1.853000 
1 1 1   64    4    6 o   7.2890   1.1340   8.3720   1.4810   6.2060   1.7190 2.165000 2.269000 
1 1 1   64    4    7 o   6.3200   1.2030   5.9410   1.7880   6.6990   1.6100 -0.7578000 2.406000 
1 1 1   64    4    8 o   4.6280   1.2000   5.5300   1.7910   3.7260   1.5990 1.804000 2.401000 
1 1 1   64    4    9 o   4.6580   1.2370   4.8130   1.7780   4.5030   1.7200 0.3097000 2.474000 
1 1 1   64    4   10 o   3.3080   1.0990   3.5350   1.6250   3.0810   1.4790 0.4534000 2.198000 
1 1 1   64    4   11 o   3.9280   1.2890   4.0060   1.8530   3.8500   1.7920 0.1556000 2.578000 
1 1 1   64    4   12 o   4.6830   1.3350   4.9330   1.9410   4.4320   1.8350 0.5008000 2.671000 
1 1 1   64    4   13 o   2.8890   0.9830   2.5670   1.2700   3.2110   1.5010 -0.6445000 1.966000 
1 1 1   64    4   14 o   2.7170   0.9392   2.5530   1.2630   2.8810   1.3910 -0.3279000 1.878000 
1 1 1   64    4   15 o   3.0380   1.0450   3.1860   1.5290   2.8890   1.4240 0.2964000 2.090000 
1 1 1   64    4   16 o   2.4120   0.8538   2.3240   1.1690   2.5000   1.2440 -0.1756000 1.708000 
1 1 1   64    4   17 o   2.2780   0.8122   2.2350   1.1290   2.3210   1.1670 -0.8674000E-01 1.624000 
1 1 1   64    6    0 o   5.8660   0.8728   8.2340   1.0360   3.4980   1.4050 4.737000 1.746000 
1 1 1   64    6    1 o   7.2620   0.7933   6.2390   1.2880   8.2840   0.9261 -2.046000 1.587000 
1 1 1   64    6    2 o   2.7950   0.8994   2.9840   1.3210   2.6050   1.2210 0.3783000 1.799000 
1 1 1   64    6    3 o   7.1180   1.4090   6.7860   1.9630   7.4510   2.0220 -0.6658000 2.818000 
1 1 1   64    6    4 o   3.3680   1.0510   3.7320   1.5660   3.0040   1.4010 0.7277000 2.102000 
1 1 1   64    6    5 o   7.5440   1.0240   7.9980   1.4050   7.0900   1.4910 0.9080000 2.049000 
1 1 1   64    6    6 o   7.8130   1.0190   7.0000   1.6010   8.6260   1.2610 -1.627000 2.038000 
1 1 1   64    6    7 o   3.7340   1.1350   3.6820   1.6040   3.7870   1.6070 -0.1051000 2.270000 
1 1 1   64    6    8 o   2.7600   0.9416   2.6170   1.2800   2.9040   1.3810 -0.2871000 1.883000 
1 1 1   64    6    9 o   3.9720   1.1850   4.0340   1.6920   3.9110   1.6610 0.1238000 2.371000 
1 1 1   64    6   10 o   3.8730   1.1910   4.6740   1.8760   3.0710   1.4670 1.602000 2.382000 
1 1 1   64    6   11 o   5.6860   1.4440   4.4830   1.8790   6.8900   2.1930 -2.407000 2.888000 
1 1 1   64    6   12 o   3.7320   1.1530   3.6610   1.6280   3.8020   1.6340 -0.1415000 2.307000 
1 1 1   64    6   13 o   2.6160   0.9104   2.6320   1.2950   2.6000   1.2800 0.3194000E-01 1.821000 
1 1 1   64    6   14 o   3.2300   1.0610   3.0440   1.4470   3.4170   1.5520 -0.3724000 2.122000 
1 1 1   64    6   15 o   3.1520   1.0690   3.6820   1.6910   2.6210   1.3090 1.061000 2.139000 
1 1 1   64    6   16 o   2.1260   0.7634   2.0330   1.0370   2.2190   1.1210 -0.1858000 1.527000 
1 1 1   64    6   17 o   2.3290   0.8306   2.3850   1.2050   2.2720   1.1430 0.1127000 1.661000 
1 1 1   64    8    0 o   5.1130   1.4400   6.5780   2.4760   3.6470   1.4700 2.931000 2.879000 
1 1 1   64    8    1 o   3.2020   0.9760   3.1230   1.3660   3.2810   1.3940 -0.1576000 1.952000 
1 1 1   64    8    2 o   7.2820   0.8772   6.8780   1.3620   7.6870   1.1050 -0.8089000 1.754000 
1 1 1   64    8    3 o   8.1860   1.0100   9.3160   0.9490   7.0550   1.7830 2.261000 2.020000 
1 1 1   64    8    4 o   4.3010   1.1950   5.4360   1.8610   3.1650   1.5000 2.271000 2.390000 
1 1 1   64    8    5 o   3.4830   1.0510   4.0990   1.6100   2.8660   1.3500 1.233000 2.101000 
1 1 1   64    8    6 o   4.2230   1.2010   4.5780   1.7790   3.8680   1.6160 0.7099000 2.403000 
1 1 1   64    8    7 o   3.4650   1.0500   4.4740   1.7180   2.4550   1.2080 2.019000 2.100000 
1 1 1   64    8    8 o   3.2230   1.0660   3.0200   1.4440   3.4260   1.5680 -0.4068000 2.131000 
1 1 1   64    8    9 o   5.5100   1.3200   6.4160   1.9130   4.6030   1.8180 1.813000 2.639000 
1 1 1   64    8   10 o   4.4770   1.2140   3.8250   1.6550   5.1290   1.7760 -1.304000 2.427000 
1 1 1   64    8   11 o   3.9070   1.2350   4.0430   1.7820   3.7720   1.7110 0.2709000 2.470000 
1 1 1   64    8   12 o   3.7220   1.1490   3.5660   1.5990   3.8780   1.6510 -0.3112000 2.299000 
1 1 1   64    8   13 o   3.4520   1.1000   3.8920   1.6760   3.0110   1.4240 0.8810000 2.199000 
1 1 1   64    8   14 o   2.8500   0.9687   2.5110   1.2440   3.1890   1.4850 -0.6773000 1.937000 
1 1 1   64    8   15 o   3.5020   1.1490   3.4210   1.6020   3.5840   1.6480 -0.1625000 2.299000 
1 1 1   64    8   16 o   3.0380   1.0290   3.0920   1.4870   2.9840   1.4230 0.1077000 2.058000 
1 1 1   64   10    0 o   8.1510   0.8389   8.8590   1.1150   7.4440   1.2540 1.415000 1.678000 
1 1 1   64   10    1 o   5.3190   0.9822   6.6490   1.2900   3.9880   1.4820 2.661000 1.964000 
1 1 1   64   10    2 o   8.3520   0.7546   8.2790   1.0680   8.4250   1.0670 -0.1458000 1.509000 
1 1 1   64   10    3 o   4.8980   1.0140   3.4630   1.4740   6.3330   1.3920 -2.869000 2.028000 
1 1 1   64   10    4 o   3.4960   1.0950   4.3120   1.7500   2.6790   1.3180 1.632000 2.191000 
1 1 1   64   10    5 o   3.9380   1.1360   4.6010   1.7130   3.2750   1.4930 1.327000 2.272000 
1 1 1   64   10    6 o   7.1130   1.1580   7.1670   1.6230   7.0590   1.6530 0.1083000 2.316000 
1 1 1   64   10    7 o   5.7330   1.2200   6.1850   1.7070   5.2820   1.7450 0.9027000 2.441000 
1 1 1   64   10    8 o   4.1250   1.1910   4.0450   1.6940   4.2040   1.6740 -0.1591000 2.382000 
1 1 1   64   10    9 o   4.4680   1.2270   4.9690   1.8170   3.9660   1.6490 1.003000 2.453000 
1 1 1   64   10   10 o   3.3340   1.0680   3.9300   1.6780   2.7370   1.3210 1.193000 2.135000 
1 1 1   64   10   11 o   4.5130   1.3260   4.5140   1.8830   4.5110   1.8670 0.3094000E-02 2.652000 
1 1 1   64   10   12 o   3.8740   1.1780   4.0140   1.7040   3.7340   1.6280 0.2803000 2.356000 
1 1 1   64   10   13 o   3.1150   1.0340   3.1190   1.4660   3.1110   1.4580 0.7401000E-02 2.068000 
1 1 1   64   10   14 o   2.4700   0.8655   2.4000   1.1940   2.5410   1.2530 -0.1411000 1.731000 
1 1 1   64   10   15 o   2.1220   0.7660   1.9820   1.0160   2.2610   1.1470 -0.2788000 1.532000 
1 1 1   64   12    0 o   4.9950   1.1130   6.3560   1.5970   3.6340   1.5500 2.723000 2.225000 
1 1 1   64   12    1 o   5.0200   1.1310   5.2980   1.5860   4.7420   1.6120 0.5563000 2.261000 
1 1 1   64   12    2 o   5.1080   1.1340   4.2010   1.5930   6.0160   1.6150 -1.815000 2.268000 
1 1 1   64   12    3 o   4.2860   1.2430   5.1010   1.8770   3.4710   1.6290 1.629000 2.485000 
1 1 1   64   12    4 o   4.3250   1.1860   4.0360   1.6940   4.6140   1.6610 -0.5785000 2.372000 
1 1 1   64   12    5 o   4.9750   1.1720   5.7800   1.6510   4.1700   1.6630 1.611000 2.343000 
1 1 1   64   12    6 o   4.1100   1.1620   4.6270   1.7180   3.5920   1.5640 1.035000 2.323000 
1 1 1   64   12    7 o   3.4220   1.0850   3.3970   1.5380   3.4480   1.5320 -0.5111000E-01 2.171000 
1 1 1   64   12    8 o   4.7790   1.2490   4.6920   1.7870   4.8670   1.7450 -0.1758000 2.498000 
1 1 1   64   12    9 o   3.5170   1.0970   3.0020   1.4180   4.0320   1.6760 -1.030000 2.195000 
1 1 1   64   12   10 o   2.9280   0.9842   2.5830   1.2700   3.2730   1.5040 -0.6903000 1.968000 
1 1 1   64   12   11 o   2.9840   1.0260   3.2080   1.5350   2.7600   1.3630 0.4486000 2.053000 
1 1 1   64   12   12 o   2.9110   0.9767   2.3260   1.1630   3.4970   1.5700 -1.172000 1.953000 
1 1 1   64   12   13 o   2.6850   0.9231   2.5300   1.2470   2.8400   1.3610 -0.3098000 1.846000 
1 1 1   64   12   14 o   2.2420   0.8127   2.0490   1.0470   2.4360   1.2430 -0.3866000 1.625000 
1 1 1   64   14    0 o   11.010   0.6266   11.580   0.9347   10.440   0.8349 1.148000 1.253000 
1 1 1   64   14    1 o   9.6370   0.7039   10.100   0.9089   9.1780   1.0750 0.9179000 1.408000 
1 1 1   64   14    2 o   5.1280   1.2320   4.6870   1.6270   5.5690   1.8510 -0.8822000 2.464000 
1 1 1   64   14    3 o   3.6590   1.1400   4.0550   1.6920   3.2640   1.5280 0.7905000 2.279000 
1 1 1   64   14    4 o   3.7810   1.1000   3.2270   1.4490   4.3360   1.6560 -1.109000 2.200000 
1 1 1   64   14    5 o   2.8380   0.9526   2.7390   1.3100   2.9360   1.3830 -0.1966000 1.905000 
1 1 1   64   14    6 o   4.3490   1.1880   3.8610   1.6280   4.8380   1.7320 -0.9774000 2.377000 
1 1 1   64   14    7 o   3.3310   1.0560   2.7160   1.3180   3.9450   1.6490 -1.229000 2.111000 
1 1 1   64   14    8 o   3.6960   1.1350   3.6680   1.5990   3.7240   1.6100 -0.5534000E-01 2.269000 
1 1 1   64   14    9 o   2.4040   0.8442   2.3770   1.1820   2.4310   1.2050 -0.5456000E-01 1.688000 
1 1 1   64   14   10 o   2.4730   0.8802   2.4240   1.2280   2.5220   1.2620 -0.9711000E-01 1.760000 
1 1 1   64   14   11 o   2.9630   1.0040   3.3530   1.5660   2.5720   1.2570 0.7813000 2.008000 
1 1 1   64   14   12 o   2.3650   0.8345   2.3150   1.1640   2.4150   1.1970 -0.9968000E-01 1.669000 
1 1 1   64   16    0 o   5.3860   1.1280   5.4900   1.5870   5.2820   1.6040 0.2082000 2.256000 
1 1 1   64   16    1 o   4.4690   1.2000   4.0000   1.5800   4.9380   1.8080 -0.9382000 2.401000 
1 1 1   64   16    2 o   5.2160   1.2920   5.1330   1.7870   5.2990   1.8670 -0.1658000 2.585000 
1 1 1   64   16    3 o   3.3590   1.0510   3.0610   1.4030   3.6580   1.5640 -0.5968000 2.101000 
1 1 1   64   16    4 o   4.2840   1.1140   5.5280   1.7160   3.0410   1.4220 2.487000 2.229000 
1 1 1   64   16    5 o   3.7380   1.1240   3.2060   1.4670   4.2700   1.7040 -1.064000 2.248000 
1 1 1   64   16    6 o   3.0730   1.0110   3.3340   1.5050   2.8130   1.3490 0.5214000 2.021000 
1 1 1   64   16    7 o   4.1630   1.1830   3.8440   1.6200   4.4820   1.7250 -0.6382000 2.366000 
1 1 1   64   16    8 o   3.4420   1.0830   2.9560   1.3990   3.9270   1.6530 -0.9705000 2.166000 
1 1 1   64   16    9 o   3.3290   1.0870   3.4960   1.5610   3.1610   1.5120 0.3347000 2.173000 
1 1 1   64   16   10 o   2.5380   0.9048   2.5100   1.2670   2.5660   1.2920 -0.5674000E-01 1.810000 
1 1 1   64   18    0 o   3.8290   1.1560   3.6400   1.5770   4.0180   1.6900 -0.3781000 2.311000 
1 1 1   64   18    1 o   3.8310   1.1180   3.2870   1.5140   4.3740   1.6450 -1.087000 2.235000 
1 1 1   64   18    2 o   4.1400   1.0880   5.2180   1.6630   3.0620   1.4030 2.155000 2.176000 
1 1 1   64   18    3 o   2.5790   0.8868   2.6470   1.2800   2.5110   1.2280 0.1355000 1.774000 
1 1 1   64   18    4 o   2.7370   0.9248   3.0740   1.4200   2.4000   1.1850 0.6737000 1.850000 
1 1 1   64   18    5 o   3.0470   0.9990   2.9180   1.3680   3.1770   1.4560 -0.2589000 1.998000 
1 1 1   64   18    6 o   2.7270   0.9363   2.7300   1.3240   2.7240   1.3240 0.6050000E-02 1.873000 
1 1 1   64   18    7 o   2.6390   0.9138   2.8920   1.3880   2.3850   1.1890 0.5074000 1.828000 
1 1 1   64   20    0 o   2.8650   0.9778   2.4320   1.1960   3.2970   1.5470 -0.8648000 1.956000 
1 1 1   64   20    1 o   2.5070   0.8673   2.2170   1.1090   2.7970   1.3330 -0.5795000 1.735000 
1 1 1   64   20    2 o   2.9070   0.9704   3.2220   1.4770   2.5920   1.2590 0.6299000 1.941000 
1 1 1   64   20    3 o   3.0030   0.9795   2.2730   1.1390   3.7330   1.5940 -1.460000 1.959000 
1 1 1   64   20    4 o   2.0880   1.0700   2.0880   1.0700  ?   ?       ?      ? 
1 1 1   65    1    0 o   3.6290   1.1010   3.5730   1.5360   3.6860   1.5770 -0.1136000 2.202000 
1 1 1   65    1    1 o   3.5720   1.0300   4.0930   1.5510   3.0510   1.3560 1.042000 2.060000 
1 1 1   65    1    2 o   4.9680   1.1110   5.9650   1.5250   3.9710   1.6160 1.994000 2.222000 
1 1 1   65    1    3 o   8.3520   0.8363   8.1210   1.2330   8.5830   1.1300 -0.4617000 1.673000 
1 1 1   65    1    4 o   5.7720   1.0750   4.1270   1.6360   7.4170   1.3930 -3.290000 2.149000 
1 1 1   65    1    5 o   8.3140   0.9108   8.0830   1.3140   8.5460   1.2620 -0.4638000 1.822000 
1 1 1   65    1    6 o   4.3430   1.1900   4.0840   1.6590   4.6010   1.7060 -0.5168000 2.380000 
1 1 1   65    1    7 o   3.6090   1.1020   3.2580   1.4870   3.9600   1.6280 -0.7024000 2.205000 
1 1 1   65    1    8 o   7.3000   1.2310   7.0410   1.8310   7.5580   1.6460 -0.5172000 2.462000 
1 1 1   65    1    9 o   6.3620   1.3060   7.8870   1.6880   4.8370   1.9920 3.051000 2.611000 
1 1 1   65    1   10 o   3.7510   1.1750   3.6090   1.6460   3.8920   1.6780 -0.2824000 2.351000 
1 1 1   65    1   11 o   6.2530   1.2850   5.6490   1.8750   6.8580   1.7570 -1.209000 2.570000 
1 1 1   65    1   12 o   3.6150   1.1510   3.7820   1.6760   3.4490   1.5790 0.3336000 2.302000 
1 1 1   65    1   13 o   3.3550   1.1250   3.1610   1.5320   3.5480   1.6480 -0.3870000 2.250000 
1 1 1   65    1   14 o   2.8780   1.0050   2.7780   1.3760   2.9790   1.4650 -0.2008000 2.010000 
1 1 1   65    1   15 o   3.8820   1.1120   2.4150   1.2100   5.3490   1.8670 -2.934000 2.225000 
1 1 1   65    1   16 o   2.8100   0.9664   2.6430   1.3050   2.9760   1.4260 -0.3335000 1.933000 
1 1 1   65    1   17 o   2.1700   0.7783   2.0730   1.0560   2.2670   1.1430 -0.1944000 1.557000 
1 1 1   65    3    0 o   3.4770   0.9514   4.4450   1.5010   2.5090   1.1690 1.936000 1.903000 
1 1 1   65    3    1 o   3.6220   1.1620   2.6200   1.2320   4.6250   1.9710 -2.004000 2.325000 
1 1 1   65    3    2 o   3.5530   1.1250   3.2220   1.4780   3.8830   1.6950 -0.6608000 2.249000 
1 1 1   65    3    3 o   3.1780   0.9989   3.4660   1.4770   2.8890   1.3460 0.5769000 1.998000 
1 1 1   65    3    4 o   5.1680   1.1600   5.7050   1.6360   4.6320   1.6450 1.074000 2.320000 
1 1 1   65    3    5 o   4.7920   1.1400   5.8650   1.6640   3.7190   1.5590 2.146000 2.280000 
1 1 1   65    3    6 o   5.4700   1.2000   4.2130   1.7370   6.7280   1.6580 -2.515000 2.401000 
1 1 1   65    3    7 o   3.9030   1.1440   5.1220   1.8770   2.6840   1.3080 2.438000 2.288000 
1 1 1   65    3    8 f   3.9000   1.1630   4.2620   1.7260   3.5390   1.5600 0.7236000 2.326000 
1 1 1   65    3    9 o   3.9590   1.1800   3.8160   1.6510   4.1010   1.6870 -0.2850000 2.361000 
1 1 1   65    3   10 o   3.6360   1.1720   3.7770   1.6890   3.4960   1.6250 0.2805000 2.344000 
1 1 1   65    3   11 o   5.0540   1.2660   4.3800   1.7620   5.7280   1.8190 -1.348000 2.533000 
1 1 1   65    3   12 o   5.1770   1.2690   7.0890   1.9760   3.2650   1.5930 3.824000 2.538000 
1 1 1   65    3   13 o   3.6430   1.1320   3.0160   1.4370   4.2710   1.7500 -1.254000 2.265000 
1 1 1   65    3   14 o   3.1910   1.0740   3.0110   1.4360   3.3720   1.5960 -0.3620000 2.147000 
1 1 1   65    3   15 o   3.5930   1.1550   2.6450   1.3190   4.5420   1.8970 -1.897000 2.310000 
1 1 1   65    3   16 o   2.0120   0.7262   2.0360   1.0390   1.9880   1.0150 0.4801000E-01 1.452000 
1 1 1   65    3   17 o   2.2080   0.7898   2.3030   1.1590   2.1130   1.0730 0.1906000 1.580000 
1 1 1   65    5    0 o   5.9760   0.8574   4.9070   1.4340   7.0460   0.9396 -2.139000 1.715000 
1 1 1   65    5    1 o   4.1630   0.8624   2.3490   1.1290   5.9770   1.3040 -3.628000 1.725000 
1 1 1   65    5    2 f   5.3010   1.0280   4.5610   1.5290   6.0410   1.3760 -1.481000 2.057000 
1 1 1   65    5    3 o   4.9910   1.2830   4.4770   1.7360   5.5060   1.8900 -1.029000 2.566000 
1 1 1   65    5    4 o   3.6240   1.0790   4.3420   1.6710   2.9060   1.3670 1.436000 2.158000 
1 1 1   65    5    5 o   3.4770   1.0950   3.8350   1.6430   3.1190   1.4480 0.7160000 2.190000 
1 1 1   65    5    6 o   5.3060   1.2200   5.8090   1.7410   4.8040   1.7100 1.005000 2.441000 
1 1 1   65    5    7 o   3.6500   1.1200   3.3790   1.5320   3.9210   1.6360 -0.5417000 2.241000 
1 1 1   65    5    8 o   5.2800   1.1960   4.1010   1.6890   6.4590   1.6930 -2.358000 2.391000 
1 1 1   65    5    9 o   3.4340   1.0940   3.2890   1.5110   3.5800   1.5820 -0.2905000 2.188000 
1 1 1   65    5   10 o   5.0660   1.2920   6.4510   1.9680   3.6800   1.6740 2.771000 2.583000 
1 1 1   65    5   11 o   4.5530   1.3960   4.0680   1.8740   5.0370   2.0710 -0.9693000 2.793000 
1 1 1   65    5   12 o   5.7250   1.2740   4.9280   1.8340   6.5220   1.7680 -1.594000 2.548000 
1 1 1   65    5   13 o   3.4540   1.1070   3.4430   1.5660   3.4650   1.5660 -0.2152000E-01 2.214000 
1 1 1   65    5   14 o   2.6210   0.9096   2.5520   1.2610   2.6890   1.3120 -0.1367000 1.819000 
1 1 1   65    5   15 o   2.8520   0.9924   2.5680   1.2860   3.1370   1.5120 -0.5693000 1.985000 
1 1 1   65    5   16 o   2.7900   0.9585   2.9490   1.4150   2.6310   1.2940 0.3182000 1.917000 
1 1 1   65    7    0 o   2.8870   0.9269   2.9120   1.3390   2.8630   1.2820 0.4900000E-01 1.854000 
1 1 1   65    7    1 o   4.2150   1.0380   3.7350   1.4830   4.6950   1.4540 -0.9595000 2.077000 
1 1 1   65    7    2 o   3.4180   1.0270   3.4050   1.4560   3.4310   1.4470 -0.2591000E-01 2.053000 
1 1 1   65    7    3 f   4.6820   1.1900   2.9380   1.4060   6.4260   1.9200 -3.489000 2.379000 
1 1 1   65    7    4 o   5.3500   1.2450   6.0270   1.8780   4.6730   1.6340 1.354000 2.490000 
1 1 1   65    7    5 o   3.2600   1.0310   2.9780   1.3810   3.5410   1.5300 -0.5630000 2.062000 
1 1 1   65    7    6 o   4.3040   1.1870   4.5310   1.7100   4.0780   1.6480 0.4535000 2.375000 
1 1 1   65    7    7 o   4.6480   1.1720   5.7500   1.7490   3.5460   1.5620 2.205000 2.345000 
1 1 1   65    7    8 o   4.3980   1.2240   4.4140   1.7290   4.3820   1.7330 0.3211000E-01 2.448000 
1 1 1   65    7    9 o   3.2760   1.0690   2.5220   1.2600   4.0310   1.7270 -1.509000 2.138000 
1 1 1   65    7   10 o   4.8530   1.2480   4.3820   1.7530   5.3240   1.7780 -0.9426000 2.497000 
1 1 1   65    7   11 o   5.4300   1.3560   4.5290   1.8810   6.3300   1.9540 -1.801000 2.712000 
1 1 1   65    7   12 o   4.7860   1.2490   4.3250   1.7560   5.2470   1.7780 -0.9225000 2.499000 
1 1 1   65    7   13 o   3.3920   1.0940   3.2880   1.5210   3.4950   1.5720 -0.2065000 2.187000 
1 1 1   65    7   14 o   3.5760   1.1230   4.1350   1.7330   3.0180   1.4290 1.118000 2.246000 
1 1 1   65    7   15 o   3.1480   1.0620   2.7090   1.3420   3.5870   1.6470 -0.8779000 2.125000 
1 1 1   65    7   16 o   2.6430   0.9570   2.4950   1.2680   2.7910   1.4340 -0.2960000 1.914000 
1 1 1   65    9    0 o   7.2910   1.2050   6.6310   2.1600   7.9510   1.0670 -1.320000 2.409000 
1 1 1   65    9    1 o   12.020   0.5413   11.690   0.8767   12.350   0.6350 -0.6554000 1.083000 
1 1 1   65    9    2 f   7.8470   0.7987   8.3500   1.0480   7.3450   1.2050 1.005000 1.597000 
1 1 1   65    9    3 o   5.2920   0.9679   3.3880   1.4620   7.1960   1.2680 -3.808000 1.936000 
1 1 1   65    9    4 o   5.0670   1.3180   5.3100   1.8640   4.8240   1.8640 0.4861000 2.636000 
1 1 1   65    9    5 f   7.5480   1.0630   5.7370   1.8090   9.3600   1.1180 -3.623000 2.126000 
1 1 1   65    9    6 o   4.3890   1.1610   5.6110   1.7920   3.1670   1.4770 2.444000 2.322000 
1 1 1   65    9    7 o   4.7850   1.2970   5.8380   2.0130   3.7330   1.6360 2.104000 2.594000 
1 1 1   65    9    8 o   2.4200   0.8501   2.3080   1.1570   2.5320   1.2460 -0.2233000 1.700000 
1 1 1   65    9    9 o   3.3130   1.0630   3.9420   1.6790   2.6840   1.3040 1.258000 2.126000 
1 1 1   65    9   10 o   3.1210   1.0280   3.3230   1.5210   2.9190   1.3850 0.4039000 2.057000 
1 1 1   65    9   11 o   3.2130   1.0840   3.5010   1.6320   2.9250   1.4270 0.5766000 2.168000 
1 1 1   65    9   12 o   2.9880   1.0050   3.2110   1.4990   2.7650   1.3380 0.4457000 2.009000 
1 1 1   65    9   13 o   2.3200   0.8236   1.9460   0.9941   2.6940   1.3130 -0.7473000 1.647000 
1 1 1   65    9   14 o   2.3750   0.8372   2.3290   1.1650   2.4210   1.2030 -0.9199000E-01 1.674000 
1 1 1   65    9   15 o   2.0600   0.7502   1.8860   0.9709   2.2340   1.1440 -0.3480000 1.500000 
1 1 1   65   11    0 o   6.3160   1.3050   5.7770   2.1600   6.8550   1.4640 -1.078000 2.610000 
1 1 1   65   11    1 o   8.5770   0.6978   8.2690   1.0240   8.8850   0.9483 -0.6167000 1.396000 
1 1 1   65   11    2 o   9.3970   0.6993   9.1400   0.9940   9.6530   0.9839 -0.5131000 1.399000 
1 1 1   65   11    3 o   4.4990   1.2030   5.0060   1.6280   3.9910   1.7720 1.016000 2.406000 
1 1 1   65   11    4 o   3.3380   1.1120   3.1520   1.5060   3.5240   1.6380 -0.3718000 2.225000 
1 1 1   65   11    5 o   3.5510   1.0870   3.6150   1.5470   3.4870   1.5280 0.1272000 2.174000 
1 1 1   65   11    6 o   2.7850   0.9409   3.0720   1.4300   2.4970   1.2240 0.5746000 1.882000 
1 1 1   65   11    7 o   7.6400   1.0450   7.8440   1.4970   7.4370   1.4580 0.4073000 2.090000 
1 1 1   65   11    8 o   3.6830   1.1480   4.1340   1.7550   3.2330   1.4790 0.9018000 2.295000 
1 1 1   65   11    9 o   3.0610   1.0130   3.3110   1.5150   2.8110   1.3440 0.5005000 2.026000 
1 1 1   65   11   10 o   4.0380   1.1790   4.2990   1.7200   3.7760   1.6110 0.5232000 2.357000 
1 1 1   65   11   11 o   2.6400   0.9285   2.6130   1.3020   2.6670   1.3240 -0.5417000E-01 1.857000 
1 1 1   65   11   12 o   2.8590   0.9632   2.3650   1.1790   3.3540   1.5240 -0.9893000 1.926000 
1 1 1   65   11   13 o   2.2750   0.8076   2.5090   1.2390   2.0410   1.0360 0.4687000 1.615000 
1 1 1   65   11   14 o   2.1790   0.8004   1.9810   1.0240   2.3760   1.2310 -0.3951000 1.601000 
1 1 1   65   13    0 o   9.4240   0.7447   9.7210   1.1800   9.1270   0.9085 0.5935000 1.489000 
1 1 1   65   13    1 o   9.7970   0.6716   10.840   0.8098   8.7570   1.0720 2.081000 1.343000 
1 1 1   65   13    2 o   5.5180   1.0980   6.4620   1.4760   4.5740   1.6280 1.888000 2.197000 
1 1 1   65   13    3 o   5.6890   1.2830   5.9110   1.8000   5.4680   1.8290 0.4422000 2.566000 
1 1 1   65   13    4 o   3.1640   1.0050   2.9160   1.3540   3.4110   1.4850 -0.4949000 2.010000 
1 1 1   65   13    5 o   4.2020   1.1330   5.0640   1.7090   3.3410   1.4890 1.723000 2.266000 
1 1 1   65   13    6 o   4.1390   1.1780   4.4880   1.7300   3.7900   1.5990 0.6982000 2.355000 
1 1 1   65   13    7 o   4.6160   1.2260   4.5750   1.7540   4.6570   1.7130 -0.8231000E-01 2.451000 
1 1 1   65   13    8 o   5.0870   1.2430   4.7790   1.7720   5.3950   1.7440 -0.6161000 2.486000 
1 1 1   65   13    9 o   3.4600   1.0500   2.3910   1.1860   4.5280   1.7330 -2.137000 2.100000 
1 1 1   65   13   10 o   2.8220   0.9676   2.7590   1.3270   2.8850   1.4090 -0.1259000 1.935000 
1 1 1   65   13   11 o   2.6250   0.9233   2.6450   1.3130   2.6050   1.2990 0.3995000E-01 1.847000 
1 1 1   65   13   12 o   2.5510   0.8845   2.6880   1.3040   2.4140   1.1960 0.2733000 1.769000 
1 1 1   65   15    0 o   7.9460   0.8307   6.3130   1.3710   9.5790   0.9390 -3.266000 1.661000 
1 1 1   65   15    1 o   4.2690   1.1170   4.7340   1.6180   3.8040   1.5410 0.9307000 2.234000 
1 1 1   65   15    2 o   5.6690   1.1280   7.6090   1.5520   3.7280   1.6370 3.881000 2.256000 
1 1 1   65   15    3 o   5.3070   1.2980   5.5510   1.8260   5.0620   1.8460 0.4892000 2.596000 
1 1 1   65   15    4 o   3.1630   1.0200   3.5060   1.5370   2.8190   1.3410 0.6871000 2.040000 
1 1 1   65   15    5 o   4.2260   1.1840   4.0260   1.6450   4.4260   1.7040 -0.3999000 2.369000 
1 1 1   65   15    6 o   4.0320   1.1710   4.0410   1.6540   4.0230   1.6590 0.1778000E-01 2.342000 
1 1 1   65   15    7 o   7.6050   1.0550   9.2230   1.2220   5.9880   1.7210 3.235000 2.111000 
1 1 1   65   15    8 f   5.0750   1.2290   4.4400   1.7100   5.7090   1.7650 -1.269000 2.457000 
1 1 1   65   15    9 o   2.9930   0.9949   2.7260   1.3160   3.2590   1.4930 -0.5334000 1.990000 
1 1 1   65   15   10 o   2.3990   0.8530   2.6520   1.3110   2.1450   1.0920 0.5069000 1.706000 
1 1 1   65   17    0 o   3.3480   1.0200   2.9230   1.3310   3.7740   1.5470 -0.8504000 2.040000 
1 1 1   65   17    1 o   4.4000   1.2180   3.1820   1.4860   5.6180   1.9300 -2.436000 2.436000 
1 1 1   65   17    2 o   3.7000   1.1150   3.3890   1.5280   4.0110   1.6230 -0.6224000 2.229000 
1 1 1   65   17    3 o   2.9960   0.9798   2.7830   1.3210   3.2090   1.4480 -0.4260000 1.960000 
1 1 1   65   17    4 o   2.8370   0.9421   3.5770   1.5600   2.0980   1.0570 1.479000 1.884000 
1 1 1   65   17    5 o   3.2260   1.0340   2.7840   1.3320   3.6690   1.5810 -0.8852000 2.067000 
1 1 1   65   17    6 o   3.7810   1.0930   4.7320   1.7210   2.8300   1.3480 1.902000 2.186000 
1 1 1   65   17    7 o   3.6450   1.0870   4.7130   1.7740   2.5780   1.2560 2.135000 2.173000 
1 1 1   65   17    8 o   3.6690   1.1440   4.1050   1.7060   3.2330   1.5250 0.8719000 2.289000 
1 1 1   65   19    0 o   2.9040   0.9765   2.8210   1.3500   2.9860   1.4120 -0.1651000 1.953000 
1 1 1   65   19    1 o   2.6490   0.9005   2.4540   1.2050   2.8440   1.3380 -0.3897000 1.801000 
1 1 1   65   19    2 o   2.9290   0.9520   3.5700   1.5250   2.2880   1.1400 1.282000 1.904000 
1 1 1   65   19    3 f   4.2490   1.1790   4.9730   1.7720   3.5250   1.5540 1.448000 2.357000 
1 1 1   65   19    4 o   2.1410   0.7638   2.0310   1.0320   2.2500   1.1270 -0.2189000 1.528000 
1 1 1   66    0    0 o   2.9900   1.7330   2.9900   1.7330   2.9900   1.7330 0.000000 0.000000 
1 1 1   66    0    1 o   8.3200   1.0930   8.3200   1.0930   8.3200   1.0930 0.000000 0.000000 
1 1 1   66    0    2 o   4.2640   1.9430   4.2640   1.9430   4.2640   1.9430 -0.000000 0.000000 
1 1 1   66    0    3 o   11.140   0.9189   11.140   0.9189   11.140   0.9189 0.000000 0.000000 
1 1 1   66    0    4 o   2.8950   1.7830   2.8950   1.7830   2.8950   1.7830 0.000000 0.000000 
1 1 1   66    0    5 o   9.1720   1.1710   9.1720   1.1710   9.1720   1.1710 -0.000000 0.000000 
1 1 1   66    0    6 o   10.950   0.9980   10.950   0.9980   10.950   0.9980 -0.000000 0.000000 
1 1 1   66    0    7 o   3.1520   1.8870   3.1520   1.8870   3.1520   1.8870 0.000000 0.000000 
1 1 1   66    0    8 o   3.1620   2.0410   3.1620   2.0410   3.1620   2.0410 0.000000 0.000000 
1 1 1   66    0    9 o   7.2760   2.4220   7.2760   2.4220   7.2760   2.4220 0.000000 0.000000 
1 1 1   66    0   10 o   7.6790   1.7720   7.6790   1.7720   7.6790   1.7720 -0.000000 0.000000 
1 1 1   66    0   11 o   6.3000   2.1530   6.3000   2.1530   6.3000   2.1530 -0.000000 0.000000 
1 1 1   66    0   12 o   3.2880   2.0010   3.2880   2.0010   3.2880   2.0010 -0.000000 0.000000 
1 1 1   66    0   13 o   2.7520   1.9060   2.7520   1.9060   2.7520   1.9060 -0.000000 0.000000 
1 1 1   66    0   14 o   3.8330   2.3800   3.8330   2.3800   3.8330   2.3800 0.000000 0.000000 
1 1 1   66    0   15 o   3.0110   1.9010   3.0110   1.9010   3.0110   1.9010 0.000000 0.000000 
1 1 1   66    0   16 o   1.4960   1.1040   1.4960   1.1040   1.4960   1.1040 -0.000000 0.000000 
1 1 1   66    2    0 o   4.5630   0.9574   6.3780   1.3950   2.7470   1.3110 3.631000 1.915000 
1 1 1   66    2    1 o   4.5430   1.2170   4.4470   1.7080   4.6390   1.7350 -0.1919000 2.434000 
1 1 1   66    2    2 o   2.8540   0.9365   2.5750   1.2340   3.1330   1.4090 -0.5581000 1.873000 
1 1 1   66    2    3 o   7.2720   1.0490   6.9790   1.6130   7.5650   1.3430 -0.5858000 2.099000 
1 1 1   66    2    4 o   9.6140   0.7737   10.280   1.0250   8.9440   1.1590 1.341000 1.547000 
1 1 1   66    2    5 o   8.0180   0.9966   5.8610   1.7030   10.180   1.0350 -4.314000 1.993000 
1 1 1   66    2    6 o   8.1150   0.9701   7.2620   1.5280   8.9670   1.1960 -1.705000 1.940000 
1 1 1   66    2    7 o   3.5860   1.1400   3.3120   1.5460   3.8600   1.6750 -0.5480000 2.280000 
1 1 1   66    2    8 o   5.6150   1.3040   6.3590   1.7510   4.8700   1.9340 1.489000 2.609000 
1 1 1   66    2    9 f   3.7140   1.1450   4.3760   1.7550   3.0510   1.4710 1.326000 2.290000 
1 1 1   66    2   10 o   5.1790   1.3020   6.4190   1.9320   3.9380   1.7460 2.481000 2.603000 
1 1 1   66    2   11 o   6.9410   1.2210   6.4360   1.8040   7.4450   1.6470 -1.009000 2.442000 
1 1 1   66    2   12 o   4.3330   1.3010   4.3240   1.8480   4.3430   1.8330 -0.1854000E-01 2.602000 
1 1 1   66    2   13 o   2.9330   1.0100   2.6090   1.3040   3.2560   1.5440 -0.6475000 2.021000 
1 1 1   66    2   14 o   3.2290   1.0980   3.4610   1.6360   2.9970   1.4650 0.4632000 2.196000 
1 1 1   66    2   15 o   2.4440   0.8621   2.4880   1.2400   2.3990   1.1980 0.8900000E-01 1.724000 
1 1 1   66    2   16 o   2.5970   0.9048   2.3480   1.1790   2.8450   1.3720 -0.4975000 1.810000 
1 1 1   66    4    0 o   3.1470   0.9340   3.6600   1.4370   2.6330   1.1930 1.027000 1.868000 
1 1 1   66    4    1 o   2.9710   0.9326   2.2560   1.1020   3.6860   1.5050 -1.430000 1.865000 
1 1 1   66    4    2 o   3.2500   1.0630   2.6010   1.2720   3.8990   1.7020 -1.298000 2.125000 
1 1 1   66    4    3 o   3.9510   1.1020   3.6040   1.5090   4.2970   1.6070 -0.6932000 2.204000 
1 1 1   66    4    4 o   3.6860   1.1090   3.7020   1.5930   3.6700   1.5430 0.3283000E-01 2.217000 
1 1 1   66    4    5 o   4.4440   1.2170   4.8860   1.7880   4.0010   1.6530 0.8852000 2.435000 
1 1 1   66    4    6 o   6.4260   1.1920   8.0030   1.6090   4.8500   1.7590 3.153000 2.384000 
1 1 1   66    4    7 o   5.2840   1.1410   3.8040   1.6360   6.7640   1.5910 -2.960000 2.282000 
1 1 1   66    4    8 o   6.0510   1.2310   6.6920   1.7070   5.4090   1.7740 1.283000 2.462000 
1 1 1   66    4    9 o   3.7190   1.1450   3.9610   1.6820   3.4760   1.5530 0.4852000 2.289000 
1 1 1   66    4   10 o   4.1120   1.2530   3.5920   1.6510   4.6310   1.8850 -1.039000 2.505000 
1 1 1   66    4   11 o   3.5420   1.1840   3.7770   1.7840   3.3070   1.5570 0.4701000 2.368000 
1 1 1   66    4   12 o   4.2760   1.2860   4.5570   1.8890   3.9960   1.7450 0.5610000 2.572000 
1 1 1   66    4   13 o   3.1340   1.0360   2.7570   1.3410   3.5110   1.5800 -0.7542000 2.072000 
1 1 1   66    4   14 o   3.4230   1.1050   3.6080   1.6160   3.2380   1.5060 0.3703000 2.209000 
1 1 1   66    4   15 o   2.2480   0.8090   2.4080   1.2150   2.0880   1.0690 0.3195000 1.618000 
1 1 1   66    4   16 o   1.9670   0.7112   1.8860   0.9671   2.0480   1.0430 -0.1624000 1.422000 
1 1 1   66    6    0 o   7.3280   0.8441   7.1300   1.2610   7.5260   1.1230 -0.3959000 1.688000 
1 1 1   66    6    1 o   4.0660   1.0360   4.0300   1.4680   4.1020   1.4610 -0.7193000E-01 2.071000 
1 1 1   66    6    2 o   3.5100   1.0320   3.1810   1.4110   3.8390   1.5070 -0.6584000 2.065000 
1 1 1   66    6    3 o   3.8630   1.2140   3.7870   1.7090   3.9390   1.7250 -0.1524000 2.428000 
1 1 1   66    6    4 o   4.3700   1.1550   4.7370   1.6380   4.0020   1.6280 0.7351000 2.310000 
1 1 1   66    6    5 o   10.030   0.7278   10.050   1.0390   10.010   1.0190 0.4646000E-01 1.456000 
1 1 1   66    6    6 o   4.1530   1.1390   5.1690   1.7630   3.1370   1.4430 2.032000 2.278000 
1 1 1   66    6    7 o   3.7610   1.1430   3.8820   1.6460   3.6410   1.5850 0.2410000 2.285000 
1 1 1   66    6    8 o   3.6050   1.1160   3.2960   1.5120   3.9140   1.6420 -0.6179000 2.233000 
1 1 1   66    6    9 o   4.5180   1.2850   4.2030   1.8060   4.8330   1.8290 -0.6304000 2.570000 
1 1 1   66    6   10 o   4.2350   1.2900   3.2580   1.5460   5.2120   2.0660 -1.954000 2.581000 
1 1 1   66    6   11 o   2.8420   0.9859   2.6560   1.3200   3.0270   1.4650 -0.3711000 1.972000 
1 1 1   66    6   12 o   3.1130   1.0310   2.8660   1.3830   3.3610   1.5280 -0.4950000 2.061000 
1 1 1   66    6   13 o   3.2680   1.0490   4.1640   1.7320   2.3720   1.1830 1.792000 2.098000 
1 1 1   66    6   14 o   2.8340   0.9678   2.7430   1.3380   2.9250   1.3990 -0.1815000 1.936000 
1 1 1   66    6   15 o   2.1330   0.7721   2.3490   1.1880   1.9160   0.9861 0.4327000 1.544000 
1 1 1   66    8    0 o   6.7380   0.9746   7.7780   1.2430   5.6980   1.5010 2.080000 1.949000 
1 1 1   66    8    1 o   8.8450   0.6548   8.1340   0.9785   9.5550   0.8704 -1.421000 1.310000 
1 1 1   66    8    2 o   5.5590   1.0360   5.8190   1.4250   5.2990   1.5030 0.5202000 2.071000 
1 1 1   66    8    3 o   5.0580   1.2150   4.7540   1.5830   5.3620   1.8450 -0.6084000 2.431000 
1 1 1   66    8    4 o   7.1040   1.2440   7.3410   1.6970   6.8680   1.8200 0.4727000 2.488000 
1 1 1   66    8    5 o   6.9550   1.0680   6.8380   1.5100   7.0710   1.5100 -0.2332000 2.135000 
1 1 1   66    8    6 o   3.0020   0.9928   2.9030   1.3720   3.1010   1.4350 -0.1984000 1.986000 
1 1 1   66    8    7 o   3.4900   1.1210   3.5550   1.6160   3.4260   1.5530 0.1289000 2.242000 
1 1 1   66    8    8 o   8.1050   1.1290   7.4330   1.7670   8.7760   1.4070 -1.342000 2.258000 
1 1 1   66    8    9 o   4.0870   1.1640   4.7860   1.7590   3.3880   1.5240 1.397000 2.328000 
1 1 1   66    8   10 o   3.0760   1.0180   3.1980   1.4850   2.9540   1.3940 0.2441000 2.037000 
1 1 1   66    8   11 o   2.9460   1.0130   3.1710   1.5150   2.7200   1.3460 0.4515000 2.027000 
1 1 1   66    8   12 o   3.3250   1.0440   2.3280   1.1640   4.3220   1.7330 -1.994000 2.088000 
1 1 1   66    8   13 o   3.0100   1.0070   3.3290   1.5290   2.6900   1.3100 0.6395000 2.013000 
1 1 1   66    8   14 o   2.1680   0.7744   2.1200   1.0740   2.2160   1.1160 -0.9626000E-01 1.549000 
1 1 1   66    8   15 o   1.8480   0.6817   1.7250   0.8991   1.9700   1.0250 -0.2447000 1.363000 
1 1 1   66   10    0 o   10.110   1.0970   8.4370   2.0550   11.780   0.7686 -3.344000 2.194000 
1 1 1   66   10    1 o   8.4240   0.7808   8.5130   1.2470   8.3360   0.9402 0.1774000 1.562000 
1 1 1   66   10    2 o   5.2530   1.1070   5.1320   1.5560   5.3740   1.5770 -0.2419000 2.215000 
1 1 1   66   10    3 o   4.2570   1.0880   4.9930   1.5950   3.5200   1.4810 1.473000 2.176000 
1 1 1   66   10    4 o   3.8860   1.1960   2.5560   1.2800   5.2170   2.0200 -2.661000 2.392000 
1 1 1   66   10    5 o   3.4420   1.0860   3.1340   1.4510   3.7500   1.6150 -0.6162000 2.171000 
1 1 1   66   10    6 o   4.1690   1.1940   4.8330   1.7920   3.5060   1.5790 1.328000 2.388000 
1 1 1   66   10    7 o   8.9350   0.9196   10.060   1.1570   7.8080   1.4300 2.255000 1.839000 
1 1 1   66   10    8 o   9.6980   0.9291   12.400   0.9611   6.9960   1.5900 5.404000 1.858000 
1 1 1   66   10    9 o   4.4010   1.2030   3.9830   1.6700   4.8200   1.7330 -0.8371000 2.407000 
1 1 1   66   10   10 o   3.3240   1.0400   2.4930   1.2320   4.1550   1.6770 -1.662000 2.081000 
1 1 1   66   10   11 f   3.2860   1.1000   3.5030   1.6270   3.0690   1.4810 0.4343000 2.200000 
1 1 1   66   10   12 o   2.5130   0.8763   2.8930   1.3830   2.1320   1.0760 0.7618000 1.753000 
1 1 1   66   10   13 o   2.3820   0.8370   2.4460   1.2100   2.3190   1.1560 0.1272000 1.674000 
1 1 1   66   10   14 o   1.7870   0.6586   1.7210   0.8971   1.8520   0.9645 -0.1307000 1.317000 
1 1 1   66   12    0 o   5.3460   1.5080   6.1190   2.4910   4.5720   1.6990 1.547000 3.015000 
1 1 1   66   12    1 o   6.8700   0.9559   7.2140   1.2880   6.5260   1.4130 0.6884000 1.912000 
1 1 1   66   12    2 o   4.4080   1.1330   3.7200   1.5440   5.0960   1.6600 -1.376000 2.267000 
1 1 1   66   12    3 o   6.6650   1.1510   6.2830   1.5020   7.0470   1.7440 -0.7639000 2.302000 
1 1 1   66   12    4 o   4.7080   1.2220   4.9470   1.8130   4.4690   1.6370 0.4783000 2.443000 
1 1 1   66   12    5 f   3.5200   1.0840   3.4770   1.5320   3.5630   1.5330 -0.8529000E-01 2.168000 
1 1 1   66   12    6 o   3.6510   1.1110   3.7910   1.6110   3.5110   1.5290 0.2805000 2.222000 
1 1 1   66   12    7 o   10.910   0.7257   11.130   1.0260   10.700   1.0270 0.4338000 1.451000 
1 1 1   66   12    8 o   6.2600   1.1870   8.3130   1.6780   4.2080   1.6810 4.105000 2.375000 
1 1 1   66   12    9 o   2.6720   0.9223   2.7890   1.3550   2.5540   1.2520 0.2357000 1.845000 
1 1 1   66   12   10 o   2.5890   0.9061   2.4320   1.2040   2.7460   1.3550 -0.3144000 1.812000 
1 1 1   66   12   11 o   4.1110   1.2540   3.9440   1.7370   4.2770   1.8080 -0.3327000 2.507000 
1 1 1   66   12   12 o   2.5450   0.8827   2.6450   1.2880   2.4450   1.2070 0.2007000 1.765000 
1 1 1   66   14    0 o   3.4380   1.0470   3.4170   1.5500   3.4580   1.4080 -0.4128000E-01 2.094000 
1 1 1   66   14    1 o   4.0070   1.0940   3.8800   1.5410   4.1330   1.5520 -0.2527000 2.187000 
1 1 1   66   14    2 o   3.7060   1.0820   3.7080   1.5450   3.7050   1.5160 0.3592000E-02 2.164000 
1 1 1   66   14    3 o   5.2600   1.2490   4.3830   1.7600   6.1370   1.7710 -1.754000 2.497000 
1 1 1   66   14    4 o   5.2970   1.1740   5.2240   1.6950   5.3690   1.6250 -0.1449000 2.348000 
1 1 1   66   14    5 o   5.2310   1.0030   7.4270   1.4310   3.0350   1.4040 4.392000 2.005000 
1 1 1   66   14    6 o   3.5350   1.0970   3.5040   1.5450   3.5670   1.5580 -0.6302000E-01 2.194000 
1 1 1   66   14    7 o   4.6050   1.1520   5.7690   1.7180   3.4410   1.5340 2.329000 2.303000 
1 1 1   66   14    8 o   4.6310   1.1760   5.5970   1.7410   3.6650   1.5810 1.932000 2.352000 
1 1 1   66   14    9 o   2.8690   0.9543   2.2540   1.1270   3.4850   1.5400 -1.231000 1.909000 
1 1 1   66   14   10 o   2.3250   0.8312   2.0240   1.0350   2.6270   1.3010 -0.6023000 1.662000 
1 1 1   66   14   11 o   2.1230   0.7798   2.1600   1.1210   2.0860   1.0840 0.7406000E-01 1.560000 
1 1 1   66   16    0 o   4.0160   1.0780   4.3000   1.5370   3.7320   1.5110 0.5687000 2.155000 
1 1 1   66   16    1 o   3.7320   1.0830   4.0500   1.5530   3.4140   1.5110 0.6356000 2.167000 
1 1 1   66   16    2 o   2.8860   0.9790   2.6900   1.3060   3.0830   1.4590 -0.3936000 1.958000 
1 1 1   66   16    3 o   3.6100   1.0610   4.3630   1.6420   2.8570   1.3460 1.506000 2.123000 
1 1 1   66   16    4 o   2.7000   0.9150   2.8050   1.3290   2.5960   1.2580 0.2088000 1.830000 
1 1 1   66   16    5 o   2.7280   0.9240   2.7840   1.3250   2.6720   1.2880 0.1119000 1.848000 
1 1 1   66   16    6 o   2.4100   0.8398   2.4710   1.2100   2.3500   1.1650 0.1216000 1.680000 
1 1 1   66   16    7 o   3.3500   1.0410   4.0650   1.6440   2.6350   1.2770 1.431000 2.081000 
1 1 1   66   16    8 o   2.3330   0.8198   2.4840   1.2190   2.1830   1.0970 0.3011000 1.640000 
1 1 1   66   18    0 o   2.8540   0.9609   2.7730   1.3280   2.9360   1.3890 -0.1627000 1.922000 
1 1 1   66   18    1 o   2.2690   0.8088   2.2130   1.1190   2.3260   1.1680 -0.1128000 1.618000 
1 1 1   66   18    2 o   2.4880   0.8564   2.4710   1.2040   2.5050   1.2180 -0.3395000E-01 1.713000 
1 1 1   66   18    3 o   2.8690   0.9533   2.7910   1.3260   2.9470   1.3700 -0.1567000 1.907000 
1 1 1   66   18    4 o   2.4460   0.8492   2.5360   1.2370   2.3560   1.1640 0.1808000 1.698000 
1 1 1   66   18    5 o   2.2030   0.7887   2.2000   1.1080   2.2060   1.1230 -0.6661000E-02 1.577000 
1 1 1   66   20    0 o   1.9920   0.7194   2.1580   1.0800   1.8250   0.9503 0.3329000 1.439000 
1 1 1   67    1    0 o   3.5950   1.0880   3.1760   1.4430   4.0150   1.6280 -0.8392000 2.176000 
1 1 1   67    1    1 o   5.1070   1.0950   4.8880   1.5770   5.3260   1.5190 -0.4375000 2.190000 
1 1 1   67    1    2 o   14.180   0.5228   14.170   0.6856   14.190   0.7894 -0.2486000E-01 1.046000 
1 1 1   67    1    3 o   4.6080   1.1930   4.2340   1.7020   4.9830   1.6720 -0.7496000 2.386000 
1 1 1   67    1    4 o   7.9110   0.9761   9.4800   1.1120   6.3420   1.6050 3.139000 1.952000 
1 1 1   67    1    5 o   4.4380   1.1400   5.4660   1.7020   3.4090   1.5160 2.057000 2.279000 
1 1 1   67    1    6 o   2.9000   0.9641   2.4920   1.2200   3.3070   1.4930 -0.8158000 1.928000 
1 1 1   67    1    7 o   4.1560   1.1630   3.3510   1.5520   4.9610   1.7330 -1.610000 2.326000 
1 1 1   67    1    8 o   3.5970   1.1460   3.3000   1.5500   3.8940   1.6900 -0.5942000 2.293000 
1 1 1   67    1    9 o   3.4880   1.1340   3.1360   1.4940   3.8390   1.7050 -0.7033000 2.267000 
1 1 1   67    1   10 o   3.5910   1.1270   3.0890   1.4530   4.0920   1.7220 -1.003000 2.253000 
1 1 1   67    1   11 o   3.8710   1.1850   4.1640   1.7440   3.5780   1.6060 0.5852000 2.371000 
1 1 1   67    1   12 o   3.6730   1.1330   3.0120   1.4360   4.3340   1.7520 -1.322000 2.266000 
1 1 1   67    1   13 o   3.6690   1.1930   3.9500   1.7680   3.3880   1.6030 0.5615000 2.387000 
1 1 1   67    1   14 o   3.0620   1.0500   2.7830   1.3770   3.3410   1.5860 -0.5578000 2.101000 
1 1 1   67    1   15 o   2.0760   0.7476   2.0510   1.0450   2.1020   1.0690 -0.5043000E-01 1.495000 
1 1 1   67    1   16 o   1.9240   0.7079   1.8550   0.9652   1.9930   1.0360 -0.1381000 1.416000 
1 1 1   67    3    0 o   4.2720   1.0470   4.1980   1.5170   4.3460   1.4430 -0.1482000 2.094000 
1 1 1   67    3    1 o   6.2090   1.1950   6.6550   1.6190   5.7620   1.7580 0.8939000 2.390000 
1 1 1   67    3    2 o   7.9000   1.0930   7.9590   1.4240   7.8410   1.6590 0.1179000 2.186000 
1 1 1   67    3    3 o   8.3550   0.8554   8.7580   1.1020   7.9530   1.3090 0.8052000 1.711000 
1 1 1   67    3    4 o   6.7270   1.1450   6.6090   1.7020   6.8450   1.5320 -0.2361000 2.289000 
1 1 1   67    3    5 o   3.2720   1.0300   2.7350   1.3130   3.8100   1.5880 -1.075000 2.060000 
1 1 1   67    3    6 o   3.7930   1.1690   3.9790   1.7170   3.6080   1.5870 0.3707000 2.338000 
1 1 1   67    3    7 o   3.2020   1.0500   3.1670   1.4720   3.2360   1.4990 -0.6955000E-01 2.101000 
1 1 1   67    3    8 f   4.4100   1.2150   4.2060   1.7000   4.6140   1.7370 -0.4083000 2.431000 
1 1 1   67    3    9 o   4.2940   1.1920   3.6360   1.5970   4.9520   1.7700 -1.316000 2.384000 
1 1 1   67    3   10 o   3.4420   1.1340   3.5250   1.6220   3.3590   1.5850 0.1659000 2.268000 
1 1 1   67    3   11 o   3.6730   1.1660   4.2700   1.8230   3.0760   1.4550 1.194000 2.333000 
1 1 1   67    3   12 o   3.4360   1.1360   3.7250   1.7060   3.1470   1.5000 0.5780000 2.272000 
1 1 1   67    3   13 o   3.6520   1.1450   4.0190   1.7150   3.2850   1.5180 0.7336000 2.291000 
1 1 1   67    3   14 o   2.8440   0.9908   3.2340   1.5490   2.4540   1.2360 0.7805000 1.982000 
1 1 1   67    3   15 o   2.2230   0.7972   2.2280   1.1340   2.2180   1.1210 0.9339000E-02 1.594000 
1 1 1   67    5    0 f   3.4380   0.8619   2.1700   1.0580   4.7070   1.3610 -2.537000 1.724000 
1 1 1   67    5    1 f   7.8740   0.7352   7.5520   1.0770   8.1960   1.0010 -0.6439000 1.470000 
1 1 1   67    5    2 o   7.1160   1.0650   6.4350   1.3580   7.7970   1.6410 -1.363000 2.130000 
1 1 1   67    5    3 o   4.3360   1.2680   4.2090   1.7850   4.4640   1.8010 -0.2548000 2.536000 
1 1 1   67    5    4 o   3.1460   1.0200   3.0510   1.4170   3.2420   1.4680 -0.1911000 2.040000 
1 1 1   67    5    5 o   6.4590   1.2070   6.5800   1.7510   6.3370   1.6610 0.2429000 2.413000 
1 1 1   67    5    6 o   4.2580   1.1810   4.7720   1.7480   3.7440   1.5880 1.027000 2.361000 
1 1 1   67    5    7 o   2.9030   0.9740   3.2480   1.4920   2.5580   1.2520 0.6897000 1.948000 
1 1 1   67    5    8 o   3.3390   1.0700   3.2190   1.4920   3.4600   1.5340 -0.2409000 2.140000 
1 1 1   67    5    9 o   4.1890   1.1720   5.1400   1.8180   3.2380   1.4810 1.902000 2.345000 
1 1 1   67    5   10 f   4.5020   1.3470   5.5600   2.1330   3.4450   1.6460 2.115000 2.694000 
1 1 1   67    5   11 o   3.1370   1.0790   3.4350   1.6510   2.8390   1.3880 0.5963000 2.157000 
1 1 1   67    5   12 o   2.7960   0.9563   2.9320   1.4020   2.6590   1.3000 0.2730000 1.913000 
1 1 1   67    5   13 f   2.6180   0.9091   2.6180   1.2880   2.6180   1.2830 0.9584000E-04 1.818000 
1 1 1   67    5   14 o   2.6990   0.9308   2.4710   1.2280   2.9260   1.4000 -0.4557000 1.862000 
1 1 1   67    5   15 o   2.4720   0.8782   2.4050   1.2130   2.5390   1.2710 -0.1341000 1.756000 
1 1 1   67    7    0 o   15.780   0.4439   15.740   0.6430   15.810   0.6121 -0.7529000E-01 0.8877000 
1 1 1   67    7    1 o   11.540   0.5309   11.340   0.7802   11.740   0.7202 -0.4065000 1.062000 
1 1 1   67    7    2 o   7.5140   0.8806   7.9070   1.1590   7.1210   1.3260 0.7857000 1.761000 
1 1 1   67    7    3 f   3.3210   1.0680   2.7530   1.3380   3.8890   1.6660 -1.136000 2.137000 
1 1 1   67    7    4 o   3.5470   1.0970   4.2340   1.7430   2.8610   1.3310 1.374000 2.194000 
1 1 1   67    7    5 o   4.4490   1.1470   3.7100   1.5620   5.1880   1.6800 -1.478000 2.294000 
1 1 1   67    7    6 o   4.9600   1.2210   5.9590   1.8210   3.9600   1.6270 1.999000 2.443000 
1 1 1   67    7    7 o   3.9470   1.1520   4.3920   1.7120   3.5030   1.5420 0.8890000 2.304000 
1 1 1   67    7    8 o   5.8930   1.3200   5.5260   1.9170   6.2590   1.8160 -0.7330000 2.641000 
1 1 1   67    7    9 o   5.0000   1.3120   4.5260   1.8530   5.4750   1.8590 -0.9490000 2.625000 
1 1 1   67    7   10 o   7.2400   1.1400   7.4460   1.6180   7.0340   1.6060 0.4123000 2.280000 
1 1 1   67    7   11 o   4.9180   1.2030   3.0740   1.4860   6.7630   1.8920 -3.690000 2.405000 
1 1 1   67    7   12 o   2.6400   0.9107   3.4490   1.5600   1.8320   0.9395 1.617000 1.821000 
1 1 1   67    7   13 o   3.3040   1.0610   3.9880   1.6880   2.6210   1.2860 1.367000 2.122000 
1 1 1   67    7   14 o   2.7000   0.9304   2.4810   1.2310   2.9190   1.3950 -0.4380000 1.861000 
1 1 1   67    9    0 o   9.6980   1.0890   8.5610   2.0280   10.840   0.7960 -2.274000 2.178000 
1 1 1   67    9    1 o   12.730   0.5026   12.850   0.7982   12.620   0.6110 0.2263000 1.005000 
1 1 1   67    9    2 o   11.830   0.5366   12.810   0.7041   10.840   0.8098 1.972000 1.073000 
1 1 1   67    9    3 o   5.5640   1.1000   4.8640   1.6280   6.2640   1.4790 -1.400000 2.200000 
1 1 1   67    9    4 o   4.3030   1.2620   4.2810   1.7680   4.3250   1.8020 -0.4378000E-01 2.524000 
1 1 1   67    9    5 o   4.3390   1.1130   3.3070   1.4740   5.3720   1.6690 -2.065000 2.227000 
1 1 1   67    9    6 o   5.4430   1.2170   4.2860   1.7360   6.6000   1.7050 -2.314000 2.433000 
1 1 1   67    9    7 o   6.4350   1.2780   8.2820   1.8290   4.5880   1.7850 3.693000 2.556000 
1 1 1   67    9    8 o   9.3160   0.8974   8.1640   1.4360   10.470   1.0770 -2.304000 1.795000 
1 1 1   67    9    9 o   7.2550   1.0920   8.7100   1.3210   5.8000   1.7390 2.910000 2.184000 
1 1 1   67    9   10 o   2.3190   0.8176   2.3230   1.1580   2.3150   1.1540 0.7932000E-02 1.635000 
1 1 1   67    9   11 o   2.7320   0.9591   3.1210   1.4970   2.3430   1.1990 0.7778000 1.918000 
1 1 1   67    9   12 o   2.6090   0.9024   2.6120   1.2790   2.6060   1.2730 0.6116000E-02 1.805000 
1 1 1   67    9   13 o   2.3400   0.8251   2.3690   1.1800   2.3110   1.1540 0.5787000E-01 1.650000 
1 1 1   67   11    0 o   5.5640   1.6210   5.3370   2.1340   5.7920   2.4410 -0.4551000 3.242000 
1 1 1   67   11    1 f   12.360   0.5767   11.690   0.9608   13.030   0.6383 -1.341000 1.153000 
1 1 1   67   11    2 o   10.760   0.6435   10.770   0.9127   10.760   0.9073 0.1741000E-01 1.287000 
1 1 1   67   11    3 o   4.0810   1.1290   3.9020   1.5830   4.2600   1.6110 -0.3584000 2.259000 
1 1 1   67   11    4 o   3.2100   1.0780   3.6580   1.6710   2.7610   1.3640 0.8975000 2.157000 
1 1 1   67   11    5 o   4.6940   1.2000   4.8940   1.7160   4.4950   1.6780 0.3991000 2.400000 
1 1 1   67   11    6 o   7.1180   1.0720   7.1040   1.5300   7.1330   1.5030 -0.2878000E-01 2.145000 
1 1 1   67   11    7 f   5.6860   1.2220   5.3750   1.7650   5.9970   1.6910 -0.6219000 2.444000 
1 1 1   67   11    8 o   3.3370   1.0670   3.2650   1.4990   3.4090   1.5200 -0.1439000 2.135000 
1 1 1   67   11    9 f   2.5630   0.8862   3.0550   1.4310   2.0700   1.0460 0.9845000 1.772000 
1 1 1   67   11   10 o   3.1890   1.0320   2.8120   1.3520   3.5660   1.5610 -0.7541000 2.065000 
1 1 1   67   11   11 o   3.0580   1.0370   3.5130   1.6220   2.6030   1.2930 0.9108000 2.074000 
1 1 1   67   11   12 o   2.3370   0.8227   2.3790   1.1820   2.2940   1.1450 0.8437000E-01 1.645000 
1 1 1   67   13    0 o   4.2920   1.1600   4.3160   1.6540   4.2670   1.6270 0.4936000E-01 2.320000 
1 1 1   67   13    1 o   6.3430   0.9913   5.9300   1.4660   6.7560   1.3350 -0.8263000 1.983000 
1 1 1   67   13    2 o   8.2340   0.8463   9.2460   1.0480   7.2220   1.3290 2.024000 1.693000 
1 1 1   67   13    3 o   3.8600   1.1390   4.7700   1.7960   2.9500   1.4010 1.821000 2.278000 
1 1 1   67   13    4 o   4.1620   1.1280   3.5340   1.5890   4.7900   1.6020 -1.256000 2.256000 
1 1 1   67   13    5 o   3.2210   1.0240   3.6140   1.5510   2.8280   1.3360 0.7862000 2.047000 
1 1 1   67   13    6 o   3.0720   1.0050   2.8070   1.3380   3.3360   1.4980 -0.5290000 2.009000 
1 1 1   67   13    7 o   2.5380   0.8783   2.5500   1.2430   2.5270   1.2410 0.2365000E-01 1.757000 
1 1 1   67   13    8 o   3.2220   1.0360   3.3010   1.4840   3.1420   1.4460 0.1597000 2.072000 
1 1 1   67   13    9 o   2.8570   0.9569   3.0740   1.4220   2.6400   1.2810 0.4342000 1.914000 
1 1 1   67   13   10 o   2.7550   0.9503   2.8650   1.3780   2.6450   1.3080 0.2208000 1.901000 
1 1 1   67   13   11 o   2.1250   0.7804   2.1250   1.1040   2.1240   1.1040 0.1172000E-02 1.561000 
1 1 1   67   15    0 o   3.0770   0.9527   3.0050   1.3320   3.1480   1.3630 -0.1428000 1.905000 
1 1 1   67   15    1 o   3.5650   1.0280   3.0210   1.3560   4.1080   1.5460 -1.087000 2.057000 
1 1 1   67   15    2 o   7.1200   1.1090   8.6240   1.3490   5.6160   1.7600 3.008000 2.217000 
1 1 1   67   15    3 o   4.1080   1.1990   4.4030   1.7430   3.8140   1.6480 0.5883000 2.399000 
1 1 1   67   15    4 o   5.0760   1.0940   3.7220   1.5570   6.4300   1.5370 -2.707000 2.188000 
1 1 1   67   15    5 o   4.3680   1.0820   5.6830   1.6470   3.0530   1.4030 2.630000 2.164000 
1 1 1   67   15    6 o   4.0240   1.1210   3.2750   1.4720   4.7730   1.6920 -1.498000 2.243000 
1 1 1   67   15    7 o   2.4400   0.8476   2.4360   1.2000   2.4440   1.1980 -0.7879000E-02 1.695000 
1 1 1   67   15    8 o   2.4190   0.8398   2.0660   1.0400   2.7720   1.3190 -0.7068000 1.680000 
1 1 1   67   15    9 o   1.1130   0.4110   1.1190   0.5845   1.1060   0.5779 0.1262000E-01 0.8219000 
1 1 1   67   17    0 o   3.2810   1.0000   3.5760   1.4760   2.9850   1.3500 0.5906000 2.001000 
1 1 1   67   17    1 o   3.9500   1.2010   3.9500   1.6870   3.9500   1.7090 0.1464000E-03 2.402000 
1 1 1   67   17    2 o   3.2140   1.0480   3.5270   1.5690   2.9010   1.3880 0.6260000 2.095000 
1 1 1   67   17    3 f   3.5430   1.0360   4.5140   1.6550   2.5720   1.2450 1.942000 2.071000 
1 1 1   67   17    4 o   2.6820   0.9047   2.3470   1.1590   3.0170   1.3900 -0.6701000 1.809000 
1 1 1   67   17    5 o   2.2530   0.7936   2.5730   1.2470   1.9320   0.9823 0.6403000 1.587000 
1 1 1   67   17    6 o   2.0560   0.7557   2.0930   1.0870   2.0190   1.0500 0.7466000E-01 1.511000 
1 1 1   67   19    0 o   2.6630   0.9186   2.6000   1.2670   2.7270   1.3310 -0.1267000 1.837000 
1 1 1   67   19    1 o   2.5690   0.9104   2.1310   1.0810   3.0070   1.4650 -0.8762000 1.821000 
1 1 1   68    0    0 o   1.9200   1.3230   1.9200   1.3230   1.9200   1.3230 -0.000000 0.000000 
1 1 1   68    0    1 o   2.4770   1.5860   2.4770   1.5860   2.4770   1.5860 -0.000000 0.000000 
1 1 1   68    0    2 o   3.5710   1.9080   3.5710   1.9080   3.5710   1.9080 -0.000000 0.000000 
1 1 1   68    0    3 o   2.6090   1.6660   2.6090   1.6660   2.6090   1.6660 -0.000000 0.000000 
1 1 1   68    0    4 o   2.0440   1.4160   2.0440   1.4160   2.0440   1.4160 -0.000000 0.000000 
1 1 1   68    0    5 o   2.5770   1.6730   2.5770   1.6730   2.5770   1.6730 0.000000 0.000000 
1 1 1   68    0    6 o   2.6410   1.6990   2.6410   1.6990   2.6410   1.6990 0.000000 0.000000 
1 1 1   68    0    7 o   3.7260   2.0110   3.7260   2.0110   3.7260   2.0110 -0.000000 0.000000 
1 1 1   68    0    8 o   3.3960   2.1450   3.3960   2.1450   3.3960   2.1450 -0.000000 0.000000 
1 1 1   68    0    9 o   4.2270   2.2460   4.2270   2.2460   4.2270   2.2460 -0.000000 0.000000 
1 1 1   68    0   10 o   8.5520   1.5220   8.5520   1.5220   8.5520   1.5220 0.000000 0.000000 
1 1 1   68    0   11 o   4.6310   2.2110   4.6310   2.2110   4.6310   2.2110 0.000000 0.000000 
1 1 1   68    0   12 o   1.6580   1.2080   1.6580   1.2080   1.6580   1.2080 -0.000000 0.000000 
1 1 1   68    0   13 o   3.0600   2.0550   3.0600   2.0550   3.0600   2.0550 -0.000000 0.000000 
1 1 1   68    0   14 o   3.0560   1.9170   3.0560   1.9170   3.0560   1.9170 0.000000 0.000000 
1 1 1   68    0   15 o   1.5630   1.1480   1.5630   1.1480   1.5630   1.1480 -0.000000 0.000000 
1 1 1   68    2    0 o   4.8370   1.0630   3.0330   1.4090   6.6410   1.5930 -3.608000 2.127000 
1 1 1   68    2    1 o   4.3150   1.1870   4.6220   1.6930   4.0080   1.6650 0.6132000 2.374000 
1 1 1   68    2    2 o   8.3870   0.9031   8.0700   1.2030   8.7050   1.3470 -0.6344000 1.806000 
1 1 1   68    2    3 o   4.6680   1.1150   5.7550   1.6150   3.5810   1.5390 2.174000 2.231000 
1 1 1   68    2    4 o   3.8170   1.1000   4.5480   1.6810   3.0860   1.4190 1.461000 2.200000 
1 1 1   68    2    5 o   3.5920   1.0910   3.2190   1.4600   3.9650   1.6220 -0.7466000 2.182000 
1 1 1   68    2    6 o   2.9900   1.0000   3.5100   1.5910   2.4690   1.2140 1.041000 2.001000 
1 1 1   68    2    7 o   3.2350   1.0640   2.8050   1.3710   3.6650   1.6270 -0.8603000 2.128000 
1 1 1   68    2    8 f   4.2460   1.1990   4.6500   1.7620   3.8410   1.6280 0.8093000 2.398000 
1 1 1   68    2    9 o   3.9760   1.2270   3.7120   1.6720   4.2410   1.7960 -0.5288000 2.454000 
1 1 1   68    2   10 o   3.8400   1.1610   4.8690   1.8820   2.8100   1.3600 2.059000 2.322000 
1 1 1   68    2   11 o   3.3390   1.0800   3.2030   1.4890   3.4750   1.5640 -0.2727000 2.159000 
1 1 1   68    2   12 o   3.4670   1.1350   3.9990   1.7690   2.9340   1.4230 1.065000 2.271000 
1 1 1   68    2   13 o   2.9160   0.9896   2.9010   1.3980   2.9300   1.4010 -0.2929000E-01 1.979000 
1 1 1   68    2   14 o   2.5250   0.8974   2.1900   1.1160   2.8610   1.4060 -0.6703000 1.795000 
1 1 1   68    2   15 o   2.3330   0.8408   2.4720   1.2570   2.1950   1.1170 0.2775000 1.682000 
1 1 1   68    4    0 o   10.720   0.5066   10.900   0.7234   10.540   0.7094 0.3572000 1.013000 
1 1 1   68    4    1 o   6.0110   1.0460   5.7010   1.4470   6.3200   1.5100 -0.6191000 2.092000 
1 1 1   68    4    2 o   4.5430   1.2540   4.2530   1.7010   4.8330   1.8420 -0.5802000 2.507000 
1 1 1   68    4    3 f   4.6180   1.1410   4.8340   1.6040   4.4020   1.6230 0.4319000 2.281000 
1 1 1   68    4    4 o   3.0420   0.9917   2.7820   1.3400   3.3010   1.4630 -0.5188000 1.983000 
1 1 1   68    4    5 o   6.6320   1.2250   6.8870   1.7800   6.3770   1.6830 0.5100000 2.449000 
1 1 1   68    4    6 o   6.6080   1.1440   8.1010   1.4290   5.1140   1.7880 2.987000 2.289000 
1 1 1   68    4    7 o   3.6770   1.0800   2.6700   1.3010   4.6830   1.7250 -2.012000 2.161000 
1 1 1   68    4    8 o   3.5040   1.1120   3.6120   1.6070   3.3970   1.5360 0.2157000 2.223000 
1 1 1   68    4    9 o   3.2500   1.0560   2.9370   1.4010   3.5630   1.5790 -0.6262000 2.111000 
1 1 1   68    4   10 o   3.4720   1.1410   3.7950   1.7090   3.1490   1.5120 0.6457000 2.282000 
1 1 1   68    4   11 o   3.1100   1.0560   3.0510   1.4770   3.1690   1.5100 -0.1182000 2.112000 
1 1 1   68    4   12 o   4.0680   1.2070   4.2110   1.7340   3.9250   1.6790 0.2860000 2.414000 
1 1 1   68    4   13 o   2.6270   0.9121   2.6460   1.2980   2.6080   1.2820 0.3810000E-01 1.824000 
1 1 1   68    4   14 o   2.4310   0.8660   2.2350   1.1360   2.6270   1.3070 -0.3920000 1.732000 
1 1 1   68    6    0 o   3.4740   0.9939   3.4990   1.4640   3.4480   1.3440 0.5121000E-01 1.988000 
1 1 1   68    6    1 f   3.3210   0.9980   3.4050   1.4410   3.2370   1.3810 0.1675000 1.996000 
1 1 1   68    6    2 o   4.3780   1.1190   4.4470   1.6050   4.3080   1.5590 0.1387000 2.238000 
1 1 1   68    6    3 o   3.9590   1.1820   2.8150   1.3800   5.1030   1.9200 -2.288000 2.365000 
1 1 1   68    6    4 o   2.8960   0.9524   2.7750   1.3070   3.0160   1.3850 -0.2413000 1.905000 
1 1 1   68    6    5 o   4.1480   1.1560   4.4070   1.6650   3.8880   1.6020 0.5188000 2.311000 
1 1 1   68    6    6 o   4.3390   1.1980   4.2990   1.7020   4.3790   1.6870 -0.8001000E-01 2.396000 
1 1 1   68    6    7 o   2.7980   0.9486   3.0820   1.4430   2.5130   1.2310 0.5689000 1.897000 
1 1 1   68    6    8 o   3.1570   1.0150   2.4330   1.2070   3.8820   1.6330 -1.449000 2.030000 
1 1 1   68    6    9 o   3.0570   1.0260   2.5100   1.2560   3.6040   1.6220 -1.094000 2.052000 
1 1 1   68    6   10 o   3.3010   1.1210   3.0340   1.4720   3.5680   1.6910 -0.5341000 2.242000 
1 1 1   68    6   11 o   3.4240   1.1330   3.4410   1.6090   3.4080   1.5950 0.3271000E-01 2.266000 
1 1 1   68    6   12 o   3.0980   1.0260   2.7590   1.3410   3.4360   1.5540 -0.6772000 2.052000 
1 1 1   68    6   13 o   2.7440   0.9426   2.9090   1.3940   2.5800   1.2690 0.3287000 1.885000 
1 1 1   68    6   14 o   2.1920   0.7887   2.1450   1.0940   2.2380   1.1360 -0.9286000E-01 1.577000 
1 1 1   68    8    0 o   8.0400   1.1590   9.1950   1.8930   6.8860   1.3370 2.309000 2.318000 
1 1 1   68    8    1 o   7.9040   0.8009   7.6260   1.3110   8.1820   0.9207 -0.5553000 1.602000 
1 1 1   68    8    2 o   6.7700   0.9305   7.3380   1.2150   6.2020   1.4090 1.136000 1.861000 
1 1 1   68    8    3 o   5.2080   1.2020   5.4430   1.5710   4.9720   1.8210 0.4711000 2.405000 
1 1 1   68    8    4 o   4.7490   1.2240   6.0480   1.8670   3.4500   1.5840 2.598000 2.448000 
1 1 1   68    8    5 o   4.7890   1.1660   4.0680   1.6280   5.5090   1.6710 -1.441000 2.333000 
1 1 1   68    8    6 o   3.0050   0.9934   2.8100   1.3410   3.2010   1.4660 -0.3910000 1.987000 
1 1 1   68    8    7 o   3.7630   1.1790   4.6960   1.9200   2.8300   1.3680 1.866000 2.358000 
1 1 1   68    8    8 o   4.2290   1.1940   3.2240   1.5260   5.2340   1.8360 -2.010000 2.388000 
1 1 1   68    8    9 o   3.0240   1.0010   2.7730   1.3380   3.2740   1.4880 -0.5010000 2.001000 
1 1 1   68    8   10 o   2.7990   0.9515   2.7280   1.3200   2.8710   1.3710 -0.1431000 1.903000 
1 1 1   68    8   11 f   3.3350   1.0980   2.7500   1.3530   3.9190   1.7300 -1.168000 2.196000 
1 1 1   68    8   12 o   2.3350   0.8243   2.4960   1.2330   2.1730   1.0950 0.3237000 1.649000 
1 1 1   68    8   13 o   2.4200   0.8536   2.3580   1.1760   2.4810   1.2370 -0.1228000 1.707000 
1 1 1   68   10    0 o   6.6780   1.5350   7.8460   2.1610   5.5100   2.1800 2.335000 3.070000 
1 1 1   68   10    1 o   4.2390   1.0650   3.7030   1.5680   4.7750   1.4420 -1.071000 2.130000 
1 1 1   68   10    2 o   9.0140   0.7117   7.8920   1.1250   10.140   0.8725 -2.243000 1.423000 
1 1 1   68   10    3 o   4.1080   1.0970   3.7310   1.5350   4.4840   1.5670 -0.7534000 2.194000 
1 1 1   68   10    4 o   3.2940   1.1080   3.4470   1.6230   3.1410   1.5100 0.3059000 2.217000 
1 1 1   68   10    5 o   4.8510   1.1300   3.3160   1.5120   6.3860   1.6810 -3.070000 2.261000 
1 1 1   68   10    6 f   4.0730   1.0990   5.2230   1.7170   2.9230   1.3730 2.301000 2.199000 
1 1 1   68   10    7 o   3.9560   1.1380   4.7370   1.7530   3.1740   1.4520 1.563000 2.276000 
1 1 1   68   10    8 o   3.4350   1.0980   3.5690   1.6220   3.3000   1.4820 0.2692000 2.197000 
1 1 1   68   10    9 o   3.0660   0.9951   2.4940   1.2280   3.6380   1.5660 -1.144000 1.990000 
1 1 1   68   10   10 o   2.9850   0.9924   2.9060   1.3820   3.0640   1.4250 -0.1580000 1.985000 
1 1 1   68   10   11 o   2.2880   0.8190   2.1930   1.1150   2.3820   1.2000 -0.1897000 1.638000 
1 1 1   68   10   12 o   2.6820   0.9577   3.1160   1.5320   2.2480   1.1500 0.8678000 1.915000 
1 1 1   68   12    0 o   3.9080   1.9290  ?   ?    3.9080   1.9290      ?      ? 
1 1 1   68   12    1 o   4.1940   1.1230   3.7170   1.6350   4.6700   1.5400 -0.9533000 2.246000 
1 1 1   68   12    2 o   3.5350   1.0390   3.2220   1.4210   3.8470   1.5170 -0.6259000 2.079000 
1 1 1   68   12    3 o   5.5410   1.1930   4.7910   1.6200   6.2910   1.7530 -1.501000 2.386000 
1 1 1   68   12    4 o   3.9990   1.1990   4.5190   1.8080   3.4790   1.5770 1.040000 2.399000 
1 1 1   68   12    5 o   2.8240   0.9425   2.8680   1.3480   2.7800   1.3170 0.8779000E-01 1.885000 
1 1 1   68   12    6 o   4.7810   1.1400   3.6300   1.5620   5.9320   1.6610 -2.302000 2.280000 
1 1 1   68   12    7 o   2.5720   0.8843   2.6230   1.2710   2.5210   1.2300 0.1018000 1.769000 
1 1 1   68   12    8 o   3.0280   0.9956   3.0220   1.4070   3.0340   1.4090 -0.1173000E-01 1.991000 
1 1 1   68   12    9 o   2.7070   0.9179   3.1610   1.4510   2.2520   1.1240 0.9086000 1.836000 
1 1 1   68   12   10 f   2.4940   0.8801   2.0540   1.0390   2.9330   1.4210 -0.8793000 1.760000 
1 1 1   68   14    0 o   3.1670   1.0060   3.6000   1.5310   2.7350   1.3060 0.8648000 2.012000 
1 1 1   68   14    1 o   3.5210   1.0080   2.8430   1.3050   4.1990   1.5360 -1.356000 2.015000 
1 1 1   68   14    2 o   3.0310   0.9693   2.8830   1.3330   3.1800   1.4070 -0.2965000 1.939000 
1 1 1   68   14    3 o   3.3880   1.0830   3.6540   1.6050   3.1230   1.4560 0.5318000 2.167000 
1 1 1   68   14    4 o   2.8200   0.9294   2.4020   1.1730   3.2380   1.4420 -0.8362000 1.859000 
1 1 1   68   14    5 o   2.7690   0.9177   3.3220   1.4650   2.2170   1.1060 1.105000 1.835000 
1 1 1   68   14    6 o   2.3540   0.8209   2.5600   1.2380   2.1480   1.0790 0.4123000 1.642000 
1 1 1   68   14    7 o   2.4290   0.8438   2.1380   1.0720   2.7200   1.3040 -0.5814000 1.688000 
1 1 1   68   14    8 o   2.6580   0.8959   3.2660   1.4640   2.0500   1.0340 1.216000 1.792000 
1 1 1   68   14    9 o   1.9720   0.7257   1.9100   0.9946   2.0330   1.0570 -0.1222000 1.451000 
1 1 1   68   16    0 o   3.7600   1.0350   3.7740   1.4620   3.7460   1.4660 0.2818000E-01 2.071000 
1 1 1   68   16    1 o   3.6300   1.0660   3.6820   1.5240   3.5770   1.4920 0.1047000 2.133000 
1 1 1   68   16    2 o   3.4010   1.0740   3.1400   1.4560   3.6620   1.5790 -0.5222000 2.148000 
1 1 1   68   16    3 o   3.3390   1.0550   3.4680   1.5580   3.2100   1.4220 0.2582000 2.109000 
1 1 1   68   16    4 o   2.8920   0.9477   2.6050   1.2510   3.1800   1.4240 -0.5745000 1.895000 
1 1 1   68   16    5 o   2.7720   0.9254   2.5880   1.2480   2.9560   1.3670 -0.3679000 1.851000 
1 1 1   68   16    6 o   2.6360   0.9459   2.4000   1.2240   2.8710   1.4420 -0.4707000 1.892000 
1 1 1   68   18    0 o   2.4560   0.8345   2.9390   1.3350   1.9740   1.0020 0.9656000 1.669000 
1 1 1   68   18    1 o   2.5020   0.8675   1.9680   1.0050   3.0370   1.4140 -1.070000 1.735000 
1 1 1   68   18    2 o   2.3500   1.1820   2.3500   1.1820  ?   ?       ?      ? 
1 1 1   69    1    0 o   5.2060   1.2040   5.4540   1.6810   4.9590   1.7240 0.4949000 2.409000 
1 1 1   69    1    1 o   5.0480   1.0120   6.5920   1.3840   3.5040   1.4780 3.088000 2.024000 
1 1 1   69    1    2 o   3.1810   0.9943   3.6740   1.5250   2.6880   1.2760 0.9852000 1.989000 
1 1 1   69    1    3 o   2.3460   0.8174   2.5500   1.2340   2.1410   1.0720 0.4095000 1.635000 
1 1 1   69    1    4 f   5.0940   1.1810   4.7250   1.6810   5.4640   1.6590 -0.7388000 2.362000 
1 1 1   69    1    5 o   3.6430   1.0980   4.1600   1.6570   3.1260   1.4410 1.034000 2.196000 
1 1 1   69    1    6 o   3.7840   1.1330   3.5030   1.5490   4.0650   1.6530 -0.5624000 2.265000 
1 1 1   69    1    7 o   3.6320   1.1310   2.9600   1.4270   4.3040   1.7550 -1.345000 2.262000 
1 1 1   69    1    8 o   3.5130   1.1500   3.8640   1.7130   3.1630   1.5340 0.7001000 2.300000 
1 1 1   69    1    9 o   3.8590   1.2070   4.0810   1.7560   3.6380   1.6580 0.4424000 2.415000 
1 1 1   69    1   10 o   3.3520   1.0800   3.7040   1.6260   3.0000   1.4230 0.7034000 2.161000 
1 1 1   69    1   11 o   3.0790   1.0250   3.0170   1.4330   3.1410   1.4650 -0.1239000 2.049000 
1 1 1   69    1   12 f   3.3830   1.1190   3.7150   1.6880   3.0500   1.4690 0.6651000 2.238000 
1 1 1   69    1   13 o   2.5330   0.9099   2.5540   1.2970   2.5130   1.2770 0.4136000E-01 1.820000 
1 1 1   69    1   14 f   2.4250   0.8645   2.4820   1.2470   2.3680   1.1980 0.1143000 1.729000 
1 1 1   69    3    0 o   12.950   0.4558   13.680   0.6241   12.210   0.6646 1.469000 0.9117000 
1 1 1   69    3    1 o   12.190   0.6578   12.740   0.8836   11.640   0.9746 1.098000 1.316000 
1 1 1   69    3    2 o   8.6950   0.8556   9.5460   1.2150   7.8430   1.2050 1.703000 1.711000 
1 1 1   69    3    3 o   4.8700   1.1560   4.5730   1.6390   5.1680   1.6300 -0.5952000 2.312000 
1 1 1   69    3    4 o   2.6900   0.9171   2.6450   1.2930   2.7350   1.3010 -0.9019000E-01 1.834000 
1 1 1   69    3    5 o   5.7520   1.2040   5.0630   1.8260   6.4420   1.5700 -1.379000 2.408000 
1 1 1   69    3    6 o   3.1530   1.0500   3.2400   1.5270   3.0670   1.4410 0.1736000 2.100000 
1 1 1   69    3    7 o   3.0200   1.0000   3.3900   1.5340   2.6500   1.2840 0.7402000 2.000000 
1 1 1   69    3    8 o   6.3040   1.1820   7.3390   1.5840   5.2680   1.7560 2.071000 2.365000 
1 1 1   69    3    9 o   3.7170   1.1160   4.6230   1.7600   2.8110   1.3740 1.812000 2.233000 
1 1 1   69    3   10 o   3.1640   1.0640   3.3700   1.5740   2.9570   1.4320 0.4123000 2.128000 
1 1 1   69    3   11 o   2.9420   1.0100   2.6270   1.3090   3.2580   1.5380 -0.6315000 2.020000 
1 1 1   69    3   12 o   2.6220   0.9223   2.7390   1.3540   2.5050   1.2530 0.2345000 1.845000 
1 1 1   69    3   13 o   2.8780   0.9776   2.8550   1.3770   2.9010   1.3880 -0.4561000E-01 1.955000 
1 1 1   69    3   14 o   2.5150   0.8912   2.5770   1.2880   2.4530   1.2320 0.1246000 1.782000 
1 1 1   69    5    0 o   6.3400   0.8491   6.2590   1.2540   6.4210   1.1450 -0.1626000 1.698000 
1 1 1   69    5    1 o   6.5800   0.9660   5.4880   1.4350   7.6730   1.2940 -2.185000 1.932000 
1 1 1   69    5    2 o   6.1970   1.0650   7.5640   1.1870   4.8290   1.7690 2.736000 2.131000 
1 1 1   69    5    3 o   3.3070   1.1040   3.2620   1.5520   3.3520   1.5700 -0.8939000E-01 2.208000 
1 1 1   69    5    4 o   3.8400   1.1180   3.1550   1.4540   4.5240   1.7000 -1.368000 2.237000 
1 1 1   69    5    5 o   3.1520   1.0270   3.3690   1.5330   2.9350   1.3670 0.4339000 2.054000 
1 1 1   69    5    6 o   4.1560   1.1750   4.0980   1.6670   4.2140   1.6550 -0.1161000 2.349000 
1 1 1   69    5    7 o   3.8940   1.1560   4.0690   1.6750   3.7180   1.5940 0.3511000 2.312000 
1 1 1   69    5    8 o   4.9060   1.2490   4.7160   1.7710   5.0970   1.7600 -0.3812000 2.497000 
1 1 1   69    5    9 o   4.0810   1.1660   4.8220   1.7730   3.3390   1.5140 1.483000 2.332000 
1 1 1   69    5   10 o   3.1270   1.0860   2.8350   1.4160   3.4190   1.6460 -0.5840000 2.171000 
1 1 1   69    5   11 o   2.4590   0.8620   2.1550   1.0910   2.7640   1.3350 -0.6087000 1.724000 
1 1 1   69    5   12 o   4.0520   1.1830   3.6070   1.6010   4.4960   1.7430 -0.8890000 2.366000 
1 1 1   69    5   13 o   2.7360   0.9397   2.6820   1.3090   2.7900   1.3490 -0.1087000 1.879000 
1 1 1   69    7    0 o   6.2100   1.0480   6.5740   1.4780   5.8460   1.4850 0.7285000 2.095000 
1 1 1   69    7    1 o   5.2360   1.0440   5.7190   1.4770   4.7530   1.4750 0.9660000 2.087000 
1 1 1   69    7    2 o   3.4790   1.0660   3.0300   1.3580   3.9270   1.6440 -0.8978000 2.133000 
1 1 1   69    7    3 o   3.7200   1.1520   3.8640   1.6650   3.5760   1.5930 0.2885000 2.305000 
1 1 1   69    7    4 o   3.6980   1.0870   3.3970   1.4810   3.9990   1.5930 -0.6013000 2.175000 
1 1 1   69    7    5 o   8.0990   0.9741   6.1000   1.6300   10.100   1.0670 -3.997000 1.948000 
1 1 1   69    7    6 o   2.8670   0.9562   2.4070   1.1870   3.3270   1.5000 -0.9197000 1.912000 
1 1 1   69    7    7 o   3.1810   1.0320   2.8930   1.3790   3.4690   1.5360 -0.5765000 2.064000 
1 1 1   69    7    8 o   3.3930   1.1060   3.8460   1.7050   2.9390   1.4090 0.9076000 2.212000 
1 1 1   69    7    9 o   5.4670   1.2160   4.4690   1.7400   6.4650   1.6990 -1.996000 2.432000 
1 1 1   69    7   10 o   3.5340   1.1360   3.2490   1.5000   3.8190   1.7060 -0.5700000 2.272000 
1 1 1   69    7   11 o   3.0220   1.0330   3.3220   1.5680   2.7220   1.3440 0.5999000 2.066000 
1 1 1   69    7   12 o   2.5080   0.8760   2.6640   1.3010   2.3530   1.1740 0.3102000 1.752000 
1 1 1   69    7   13 o   1.7970   0.6618   1.7780   0.9263   1.8150   0.9453 -0.3696000E-01 1.324000 
1 1 1   69    9    0 o   8.4400   1.4590   9.0930   1.9080   7.7870   2.2070 1.306000 2.918000 
1 1 1   69    9    1 o   4.9380   1.0560   6.1600   1.5750   3.7170   1.4060 2.443000 2.111000 
1 1 1   69    9    2 o   3.9430   1.0590   4.4860   1.5580   3.3990   1.4360 1.087000 2.119000 
1 1 1   69    9    3 o   3.0120   0.9652   2.6970   1.2770   3.3270   1.4480 -0.6300000 1.930000 
1 1 1   69    9    4 o   3.4280   1.1100   3.4620   1.5830   3.3940   1.5580 0.6758000E-01 2.221000 
1 1 1   69    9    5 o   3.3810   1.0760   3.1920   1.4750   3.5700   1.5660 -0.3778000 2.151000 
1 1 1   69    9    6 o   5.1820   1.2530   4.5220   1.7760   5.8430   1.7690 -1.321000 2.507000 
1 1 1   69    9    7 o   4.4190   1.2090   4.6470   1.7560   4.1910   1.6630 0.4563000 2.419000 
1 1 1   69    9    8 o   4.3450   1.1990   4.5650   1.7350   4.1250   1.6560 0.4405000 2.399000 
1 1 1   69    9    9 o   2.7520   0.9331   3.2360   1.4840   2.2690   1.1320 0.9671000 1.866000 
1 1 1   69    9   10 o   2.5310   0.8780   2.6000   1.2700   2.4630   1.2130 0.1372000 1.756000 
1 1 1   69    9   11 o   2.5140   0.8877   2.3830   1.1990   2.6450   1.3090 -0.2622000 1.775000 
1 1 1   69    9   12 o   1.9440   0.7153   1.9070   0.9921   1.9820   1.0310 -0.7551000E-01 1.431000 
1 1 1   69   11    0 o   3.9850   1.3780   3.8170   1.8750   4.1540   2.0210 -0.3371000 2.757000 
1 1 1   69   11    1 o   7.6680   1.0020   7.7500   1.6440   7.5860   1.1470 0.1645000 2.004000 
1 1 1   69   11    2 o   4.8150   1.1090   5.6830   1.5870   3.9460   1.5500 1.737000 2.218000 
1 1 1   69   11    3 o   3.5240   1.0630   3.7200   1.5610   3.3280   1.4440 0.3924000 2.127000 
1 1 1   69   11    4 o   5.4720   1.2740   4.5840   1.8000   6.3590   1.8040 -1.775000 2.549000 
1 1 1   69   11    5 o   6.1520   1.1360   6.4210   1.5640   5.8830   1.6470 0.5377000 2.271000 
1 1 1   69   11    6 o   6.1850   1.1140   7.2350   1.4450   5.1350   1.6970 2.100000 2.229000 
1 1 1   69   11    7 o   2.5080   0.8653   2.3110   1.1460   2.7060   1.2970 -0.3948000 1.731000 
1 1 1   69   11    8 o   2.5640   0.8823   2.3840   1.1800   2.7430   1.3120 -0.3588000 1.765000 
1 1 1   69   11    9 o   2.8490   0.9589   2.6540   1.2970   3.0430   1.4120 -0.3896000 1.918000 
1 1 1   69   11   10 o   2.2720   0.8075   2.2590   1.1300   2.2860   1.1540 -0.2678000E-01 1.615000 
1 1 1   69   13    0 o   3.9700   1.3220   3.5070   1.7460   4.4320   1.9850 -0.9249000 2.644000 
1 1 1   69   13    1 o   5.9730   1.0880   7.0810   1.5540   4.8650   1.5220 2.215000 2.175000 
1 1 1   69   13    2 o   6.4760   0.9849   7.9810   1.1850   4.9720   1.5740 3.009000 1.970000 
1 1 1   69   13    3 o   3.5390   1.0830   3.6740   1.5310   3.4040   1.5310 0.2703000 2.165000 
1 1 1   69   13    4 o   2.5080   0.8664   2.5240   1.2460   2.4930   1.2040 0.3029000E-01 1.733000 
1 1 1   69   13    5 o   3.0190   0.9660   2.4280   1.1830   3.6100   1.5270 -1.182000 1.932000 
1 1 1   69   13    6 o   2.9720   0.9555   3.7360   1.5620   2.2070   1.1010 1.530000 1.911000 
1 1 1   69   13    7 o   4.0710   1.0960   3.0580   1.4040   5.0830   1.6830 -2.025000 2.192000 
1 1 1   69   13    8 o   2.0980   0.7465   2.2530   1.1210   1.9420   0.9864 0.3102000 1.493000 
1 1 1   69   13    9 o   1.2900   0.4763   1.2740   0.6651   1.3060   0.6820 -0.3233000E-01 0.9526000 
1 1 1   69   15    0 o   2.8830   0.9478   3.0600   1.4090   2.7060   1.2680 0.3533000 1.896000 
1 1 1   69   15    1 o   3.0530   0.9562   2.4970   1.1910   3.6080   1.4960 -1.111000 1.912000 
1 1 1   69   15    2 o   2.7000   0.9163   2.2390   1.1060   3.1600   1.4610 -0.9203000 1.833000 
1 1 1   69   15    3 o   2.5880   0.8958   2.7080   1.3120   2.4680   1.2200 0.2401000 1.792000 
1 1 1   69   15    4 o   2.5850   0.8769   2.7260   1.2890   2.4440   1.1890 0.2816000 1.754000 
1 1 1   69   15    5 o   4.4880   1.1530   4.5520   1.6370   4.4240   1.6250 0.1278000 2.307000 
1 1 1   69   15    6 o   2.3840   0.8397   2.3720   1.1630   2.3960   1.2110 -0.2344000E-01 1.679000 
1 1 1   69   17    0 o   3.0240   0.9089   3.9970   1.4960   2.0510   1.0320 1.946000 1.818000 
1 1 1   69   17    1 o   2.3680   0.8244   2.4970   1.2070   2.2390   1.1230 0.2580000 1.649000 
1 1 1   69   17    2 o   2.0440   0.7325   2.1090   1.0660   1.9800   1.0050 0.1291000 1.465000 
1 1 1   70    0    0 o   1.8130   1.2690   1.8130   1.2690   1.8130   1.2690 -0.000000 0.000000 
1 1 1   70    0    1 o   2.5380   1.6140   2.5380   1.6140   2.5380   1.6140 -0.000000 0.000000 
1 1 1   70    0    2 o   10.400   0.9566   10.400   0.9566   10.400   0.9566 -0.000000 0.000000 
1 1 1   70    0    3 o   2.5050   1.6760   2.5050   1.6760   2.5050   1.6760 0.000000 0.000000 
1 1 1   70    0    4 o   6.5050   1.8350   6.5050   1.8350   6.5050   1.8350 0.000000 0.000000 
1 1 1   70    0    5 o   2.7610   1.7540   2.7610   1.7540   2.7610   1.7540 0.000000 0.000000 
1 1 1   70    0    6 f   2.3630   1.5840   2.3630   1.5840   2.3630   1.5840 -0.000000 0.000000 
1 1 1   70    0    7 o   4.0240   2.0640   4.0240   2.0640   4.0240   2.0640 0.000000 0.000000 
1 1 1   70    0    8 o   2.5630   1.7740   2.5630   1.7740   2.5630   1.7740 0.000000 0.000000 
1 1 1   70    0    9 o   5.7090   2.1050   5.7090   2.1050   5.7090   2.1050 -0.000000 0.000000 
1 1 1   70    0   10 o   6.9980   1.8890   6.9980   1.8890   6.9980   1.8890 -0.000000 0.000000 
1 1 1   70    0   11 o   2.1340   1.4890   2.1340   1.4890   2.1340   1.4890 -0.000000 0.000000 
1 1 1   70    0   12 o   2.8810   1.8400   2.8810   1.8400   2.8810   1.8400 0.000000 0.000000 
1 1 1   70    0   13 o   2.3830   1.6910   2.3830   1.6910   2.3830   1.6910 -0.000000 0.000000 
1 1 1   70    2    0 o   4.1490   1.1740   4.1610   1.6560   4.1360   1.6640 0.2485000E-01 2.347000 
1 1 1   70    2    1 o   5.4320   1.1990   4.3660   1.6880   6.4990   1.7020 -2.134000 2.397000 
1 1 1   70    2    2 o   3.8040   1.1250   3.1170   1.4080   4.4900   1.7550 -1.373000 2.250000 
1 1 1   70    2    3 o   9.0830   0.8050   8.2940   1.2480   9.8730   1.0180 -1.579000 1.610000 
1 1 1   70    2    4 o   8.4860   0.9702   8.5780   1.4660   8.3940   1.2710 0.1845000 1.940000 
1 1 1   70    2    5 o   3.6730   1.1110   3.4240   1.5290   3.9220   1.6130 -0.4973000 2.222000 
1 1 1   70    2    6 o   4.2700   1.2340   4.5170   1.8000   4.0220   1.6900 0.4954000 2.469000 
1 1 1   70    2    7 o   3.9720   1.2420   4.5180   1.9340   3.4270   1.5590 1.091000 2.484000 
1 1 1   70    2    8 o   3.9240   1.1590   3.8910   1.6350   3.9570   1.6440 -0.6625000E-01 2.319000 
1 1 1   70    2    9 o   3.7300   1.1710   3.0740   1.4680   4.3860   1.8250 -1.312000 2.342000 
1 1 1   70    2   10 o   3.0240   0.9997   3.5820   1.5830   2.4660   1.2210 1.117000 1.999000 
1 1 1   70    2   11 o   2.6180   0.9070   2.3890   1.1930   2.8460   1.3670 -0.4572000 1.814000 
1 1 1   70    2   12 o   2.4450   0.8689   2.3800   1.2020   2.5100   1.2550 -0.1303000 1.738000 
1 1 1   70    2   13 o   2.0840   0.7515   2.0380   1.0380   2.1300   1.0870 -0.9209000E-01 1.503000 
1 1 1   70    4    0 o   4.1660   1.0500   4.2820   1.5100   4.0500   1.4590 0.2326000 2.100000 
1 1 1   70    4    1 o   3.8400   0.9822   2.8220   1.2970   4.8580   1.4750 -2.037000 1.964000 
1 1 1   70    4    2 o   3.2970   1.0680   3.3460   1.5250   3.2480   1.4960 0.9744000E-01 2.137000 
1 1 1   70    4    3 o   6.6030   1.0380   7.4980   1.3320   5.7080   1.5930 1.790000 2.077000 
1 1 1   70    4    4 o   9.7650   0.8543   11.060   1.0540   8.4670   1.3440 2.597000 1.709000 
1 1 1   70    4    5 o   3.2130   1.0570   3.3230   1.5400   3.1020   1.4480 0.2215000 2.113000 
1 1 1   70    4    6 o   4.8640   1.2090   5.5030   1.7690   4.2250   1.6490 1.278000 2.419000 
1 1 1   70    4    7 o   5.3710   1.2240   6.0520   1.7390   4.6890   1.7230 1.362000 2.448000 
1 1 1   70    4    8 o   3.0990   1.0210   3.2730   1.5020   2.9250   1.3850 0.3475000 2.043000 
1 1 1   70    4    9 o   2.6290   0.9071   2.4790   1.2250   2.7780   1.3380 -0.2986000 1.814000 
1 1 1   70    4   10 o   2.7350   0.9691   2.5870   1.3060   2.8830   1.4320 -0.2961000 1.938000 
1 1 1   70    4   11 o   2.6170   0.9190   2.5180   1.2590   2.7160   1.3390 -0.1983000 1.838000 
1 1 1   70    4   12 o   2.2800   0.8110   2.5200   1.2470   2.0410   1.0370 0.4791000 1.622000 
1 1 1   70    4   13 o   2.4140   0.8598   2.2360   1.1350   2.5910   1.2920 -0.3550000 1.720000 
1 1 1   70    6    0 f   5.2340   1.0680   4.6460   1.5830   5.8230   1.4330 -1.177000 2.135000 
1 1 1   70    6    1 o   4.0730   1.1280   3.8060   1.5180   4.3410   1.6690 -0.5345000 2.256000 
1 1 1   70    6    2 o   5.8060   1.0900   6.4230   1.5200   5.1880   1.5640 1.235000 2.181000 
1 1 1   70    6    3 o   3.3500   1.0970   2.6850   1.3120   4.0160   1.7580 -1.331000 2.194000 
1 1 1   70    6    4 f   3.3210   1.0300   3.0850   1.3990   3.5570   1.5110 -0.4718000 2.059000 
1 1 1   70    6    5 o   4.5840   1.1570   5.3880   1.6870   3.7800   1.5850 1.608000 2.315000 
1 1 1   70    6    6 o   4.3420   1.2140   4.9840   1.8530   3.7000   1.5710 1.284000 2.429000 
1 1 1   70    6    7 o   3.0800   1.0150   3.1270   1.4570   3.0330   1.4120 0.9361000E-01 2.029000 
1 1 1   70    6    8 o   2.8540   0.9811   2.9790   1.4390   2.7290   1.3340 0.2497000 1.962000 
1 1 1   70    6    9 o   4.5520   1.2490   3.5440   1.6250   5.5600   1.8980 -2.016000 2.499000 
1 1 1   70    6   10 o   3.5340   1.1480   3.7260   1.6790   3.3430   1.5650 0.3832000 2.295000 
1 1 1   70    6   11 o   1.8820   0.6827   1.8900   0.9717   1.8750   0.9592 0.1440000E-01 1.365000 
1 1 1   70    6   12 o   2.3580   0.8312   2.2340   1.1230   2.4820   1.2250 -0.2472000 1.662000 
1 1 1   70    8    0 o   5.4820   1.2680   5.2950   2.1080   5.6700   1.4110 -0.3747000 2.537000 
1 1 1   70    8    1 o   2.9360   0.9360   3.8240   1.5760   2.0480   1.0100 1.776000 1.872000 
1 1 1   70    8    2 o   4.0250   1.0740   4.0940   1.5360   3.9560   1.5030 0.1386000 2.149000 
1 1 1   70    8    3 o   3.0950   1.0080   2.8850   1.3290   3.3050   1.5150 -0.4198000 2.015000 
1 1 1   70    8    4 o   3.5500   1.1060   4.1750   1.7500   2.9250   1.3530 1.251000 2.212000 
1 1 1   70    8    5 o   3.9450   1.1230   3.3300   1.4830   4.5600   1.6860 -1.230000 2.246000 
1 1 1   70    8    6 o   3.1360   1.0370   3.0300   1.4300   3.2420   1.5030 -0.2128000 2.074000 
1 1 1   70    8    7 o   3.3770   1.1150   3.6140   1.6710   3.1400   1.4760 0.4738000 2.230000 
1 1 1   70    8    8 o   3.4810   1.0910   3.9200   1.6590   3.0420   1.4170 0.8782000 2.182000 
1 1 1   70    8    9 f   3.2050   1.0270   3.8580   1.6320   2.5520   1.2480 1.306000 2.055000 
1 1 1   70    8   10 o   2.1860   0.7848   1.9370   0.9873   2.4350   1.2200 -0.4978000 1.570000 
1 1 1   70    8   11 o   2.2810   0.8162   2.0610   1.0520   2.5010   1.2480 -0.4406000 1.632000 
1 1 1   70   10    0 o   5.4590   1.5440   6.2600   2.1830   4.6580   2.1830 1.603000 3.087000 
1 1 1   70   10    1 o   3.9930   1.1230   3.9250   1.5910   4.0620   1.5860 -0.1373000 2.247000 
1 1 1   70   10    2 o   6.0870   0.9821   5.1380   1.5320   7.0360   1.2290 -1.897000 1.964000 
1 1 1   70   10    3 f   8.4910   0.8785   7.2840   1.4650   9.6990   0.9693 -2.415000 1.757000 
1 1 1   70   10    4 o   5.3790   1.3860   6.0860   2.0160   4.6720   1.9030 1.414000 2.772000 
1 1 1   70   10    5 o   3.7830   1.0820   4.5960   1.6650   2.9700   1.3810 1.627000 2.163000 
1 1 1   70   10    6 o   4.0850   1.1510   3.9030   1.6000   4.2680   1.6550 -0.3649000 2.302000 
1 1 1   70   10    7 f   2.8370   0.9501   2.7890   1.3270   2.8850   1.3600 -0.9613000E-01 1.900000 
1 1 1   70   10    8 o   2.8880   0.9629   3.1540   1.4510   2.6220   1.2660 0.5320000 1.926000 
1 1 1   70   10    9 o   2.4980   0.8649   2.8550   1.3560   2.1410   1.0750 0.7139000 1.730000 
1 1 1   70   10   10 o   1.9740   0.7144   2.0640   1.0510   1.8840   0.9675 0.1804000 1.429000 
1 1 1   70   12    0 o   3.5150   1.7600  ?   ?    3.5150   1.7600      ?      ? 
1 1 1   70   12    1 o   3.7000   1.0420   3.3590   1.4900   4.0400   1.4570 -0.6811000 2.084000 
1 1 1   70   12    2 o   2.7340   0.9013   2.5440   1.2160   2.9250   1.3310 -0.3801000 1.803000 
1 1 1   70   12    3 o   3.9110   1.0840   3.8480   1.5290   3.9740   1.5360 -0.1267000 2.167000 
1 1 1   70   12    4 o   2.6130   0.9076   2.4450   1.2160   2.7810   1.3480 -0.3362000 1.815000 
1 1 1   70   12    5 o   3.1990   0.9829   4.0350   1.5890   2.3620   1.1580 1.673000 1.966000 
1 1 1   70   12    6 o   2.4480   0.8450   2.4850   1.2090   2.4120   1.1810 0.7264000E-01 1.690000 
1 1 1   70   12    7 o   2.5960   0.8835   2.9970   1.3860   2.1960   1.0960 0.8014000 1.767000 
1 1 1   70   12    8 o   2.1920   0.7745   2.1970   1.0980   2.1880   1.0920 0.9559000E-02 1.549000 
1 1 1   70   14    0 o   3.5330   1.2200   3.5180   1.7460   3.5480   1.7050 -0.3003000E-01 2.440000 
1 1 1   70   14    1 o   2.9040   0.9250   2.9350   1.3040   2.8730   1.3120 0.6249000E-01 1.850000 
1 1 1   70   14    2 o   6.3370   1.0030   6.3150   1.4440   6.3600   1.3940 -0.4473000E-01 2.007000 
1 1 1   70   14    3 o   3.6510   1.1120   4.1180   1.6720   3.1830   1.4670 0.9343000 2.225000 
1 1 1   70   14    4 o   1.8850   0.6783   1.8430   0.9457   1.9260   0.9727 -0.8294000E-01 1.357000 
1 1 1   70   14    5 o   4.9700   1.1450   4.9160   1.6210   5.0240   1.6190 -0.1089000 2.291000 
1 1 1   70   14    6 o   2.6110   0.9215   2.6270   1.2890   2.5940   1.3170 0.3373000E-01 1.843000 
1 1 1   70   16    0 o   3.7240   1.1150   3.3260   1.5120   4.1210   1.6390 -0.7948000 2.230000 
1 1 1   70   16    1 o   3.8650   1.0720   4.1440   1.5560   3.5850   1.4760 0.5586000 2.144000 
1 1 1   70   16    2 o   3.5850   1.0110   5.0760   1.7250   2.0940   1.0550 2.983000 2.022000 
1 1 1   70   16    3 o   2.0400   0.7474   2.0690   1.0750   2.0110   1.0390 0.5768000E-01 1.495000 
1 1 1   71    1    0 o   4.5540   1.0280   3.0900   1.4180   6.0180   1.4870 -2.927000 2.055000 
1 1 1   71    1    1 o   5.9880   1.0550   6.7150   1.3600   5.2610   1.6140 1.454000 2.111000 
1 1 1   71    1    2 o   3.8590   1.0670   4.7310   1.6290   2.9880   1.3780 1.744000 2.133000 
1 1 1   71    1    3 o   6.4710   1.0980   8.1120   1.2700   4.8290   1.7920 3.283000 2.197000 
1 1 1   71    1    4 o   6.2920   1.1320   6.2790   1.5950   6.3060   1.6050 -0.2708000E-01 2.263000 
1 1 1   71    1    5 o   3.4920   1.0460   4.4990   1.7000   2.4840   1.2180 2.016000 2.091000 
1 1 1   71    1    6 o   3.9290   1.1530   3.6930   1.5960   4.1650   1.6650 -0.4723000 2.306000 
1 1 1   71    1    7 o   3.1060   1.0380   3.2900   1.5320   2.9220   1.4020 0.3685000 2.077000 
1 1 1   71    1    8 o   3.3320   1.1030   3.6820   1.6510   2.9820   1.4620 0.7001000 2.205000 
1 1 1   71    1    9 o   2.4590   0.8696   2.7610   1.3550   2.1580   1.0900 0.6031000 1.739000 
1 1 1   71    1   10 o   3.3020   1.0650   2.9050   1.3880   3.6990   1.6170 -0.7943000 2.131000 
1 1 1   71    1   11 o   2.9180   0.9811   2.5030   1.2400   3.3330   1.5200 -0.8294000 1.962000 
1 1 1   71    1   12 o   2.9140   1.0020   3.4660   1.6100   2.3630   1.1920 1.104000 2.004000 
1 1 1   71    3    0 o   3.0790   0.9409   2.5400   1.2100   3.6190   1.4410 -1.079000 1.882000 
1 1 1   71    3    1 o   4.4510   1.1860   5.3030   1.7640   3.5990   1.5870 1.704000 2.373000 
1 1 1   71    3    2 o   3.6660   1.0710   4.3540   1.6220   2.9780   1.4000 1.377000 2.143000 
1 1 1   71    3    3 o   5.6350   1.1050   6.5500   1.4710   4.7200   1.6500 1.830000 2.211000 
1 1 1   71    3    4 o   10.830   0.6697   10.740   0.9605   10.930   0.9335 -0.1983000 1.339000 
1 1 1   71    3    5 o   3.3040   1.0680   2.9890   1.4310   3.6190   1.5860 -0.6302000 2.136000 
1 1 1   71    3    6 o   3.3690   1.0960   3.5910   1.6240   3.1470   1.4710 0.4432000 2.191000 
1 1 1   71    3    7 o   3.1650   1.0200   3.6660   1.5840   2.6630   1.2860 1.002000 2.040000 
1 1 1   71    3    8 o   3.1550   1.0290   3.2520   1.4870   3.0570   1.4230 0.1954000 2.058000 
1 1 1   71    3    9 o   2.6280   0.9186   2.5210   1.2530   2.7350   1.3430 -0.2138000 1.837000 
1 1 1   71    3   10 o   3.5550   1.1280   3.4540   1.5970   3.6570   1.5930 -0.2032000 2.255000 
1 1 1   71    3   11 o   3.8350   1.1990   4.4780   1.8570   3.1920   1.5160 1.287000 2.397000 
1 1 1   71    3   12 o   2.1040   0.7543   2.1280   1.0780   2.0800   1.0560 0.4827000E-01 1.509000 
1 1 1   71    5    0 o   3.3280   0.9452   2.7960   1.2590   3.8590   1.4100 -1.062000 1.890000 
1 1 1   71    5    1 o   4.4660   1.0430   3.7270   1.4740   5.2050   1.4770 -1.478000 2.087000 
1 1 1   71    5    2 o   4.4940   1.2720   4.5110   1.8370   4.4760   1.7600 0.3464000E-01 2.544000 
1 1 1   71    5    3 o   4.1420   1.2140   5.2380   1.9870   3.0460   1.3950 2.191000 2.428000 
1 1 1   71    5    4 o   4.3400   1.1930   4.5890   1.7280   4.0900   1.6440 0.4996000 2.385000 
1 1 1   71    5    5 o   5.3020   1.1070   3.9180   1.6140   6.6860   1.5150 -2.768000 2.214000 
1 1 1   71    5    6 o   3.3130   1.0540   3.2370   1.4740   3.3890   1.5080 -0.1528000 2.109000 
1 1 1   71    5    7 o   3.3980   1.0760   3.4410   1.5400   3.3550   1.5020 0.8579000E-01 2.152000 
1 1 1   71    5    8 o   3.7390   1.1360   3.8380   1.6340   3.6390   1.5790 0.1981000 2.272000 
1 1 1   71    5    9 o   4.0960   1.2390   3.9980   1.7360   4.1940   1.7670 -0.1964000 2.477000 
1 1 1   71    5   10 f   3.2260   1.1060   2.6260   1.3250   3.8270   1.7720 -1.201000 2.213000 
1 1 1   71    5   11 o   4.1920   1.1880   3.5590   1.5810   4.8250   1.7750 -1.266000 2.377000 
1 1 1   71    5   12 o   2.2330   0.8185   2.1220   1.1010   2.3430   1.2120 -0.2208000 1.637000 
1 1 1   71    7    0 o   3.7500   1.0560   3.2470   1.4370   4.2530   1.5490 -1.006000 2.112000 
1 1 1   71    7    1 o   6.7100   0.9958   5.6240   1.5030   7.7970   1.3070 -2.173000 1.992000 
1 1 1   71    7    2 o   4.0760   1.0720   3.5940   1.4860   4.5570   1.5460 -0.9640000 2.145000 
1 1 1   71    7    3 o   3.1050   1.0290   3.2040   1.4850   3.0070   1.4260 0.1969000 2.059000 
1 1 1   71    7    4 o   2.9330   0.9482   3.2550   1.4310   2.6110   1.2440 0.6438000 1.896000 
1 1 1   71    7    5 o   6.6400   1.0140   8.8820   1.1820   4.3980   1.6490 4.484000 2.029000 
1 1 1   71    7    6 o   3.8900   1.1100   3.1220   1.4390   4.6580   1.6910 -1.536000 2.220000 
1 1 1   71    7    7 o   2.9510   1.0100   2.9160   1.4330   2.9850   1.4250 -0.6830000E-01 2.021000 
1 1 1   71    7    8 o   4.1030   1.1590   2.8940   1.4040   5.3110   1.8460 -2.417000 2.319000 
1 1 1   71    7    9 o   2.8430   0.9560   3.3770   1.5270   2.3100   1.1510 1.067000 1.912000 
1 1 1   71    7   10 o   2.3970   0.8514   2.5200   1.2550   2.2750   1.1510 0.2444000 1.703000 
1 1 1   71    7   11 o   3.4000   1.2050   3.5610   1.7720   3.2400   1.6350 0.3213000 2.411000 
1 1 1   71    9    0 o   3.8060   1.2680   4.1790   1.8690   3.4330   1.7140 0.7466000 2.536000 
1 1 1   71    9    1 o   4.0320   1.0690   3.1770   1.4230   4.8870   1.5960 -1.710000 2.139000 
1 1 1   71    9    2 o   4.4210   1.0770   4.3110   1.5360   4.5310   1.5110 -0.2197000 2.154000 
1 1 1   71    9    3 o   8.8670   0.7235   9.3730   0.9843   8.3610   1.0610 1.012000 1.447000 
1 1 1   71    9    4 o   8.8540   1.2010   9.9280   1.5370   7.7800   1.8450 2.148000 2.402000 
1 1 1   71    9    5 o   6.8460   1.1110   8.0970   1.3930   5.5950   1.7300 2.503000 2.221000 
1 1 1   71    9    6 o   2.5520   0.8824   2.2280   1.1120   2.8760   1.3710 -0.6484000 1.765000 
1 1 1   71    9    7 o   2.6760   0.9103   2.7140   1.3010   2.6380   1.2730 0.7579000E-01 1.821000 
1 1 1   71    9    8 o   2.9040   0.9742   2.8650   1.3770   2.9420   1.3790 -0.7760000E-01 1.948000 
1 1 1   71    9    9 o   2.1580   0.7677   2.3440   1.1640   1.9730   1.0010 0.3707000 1.535000 
1 1 1   71    9   10 o   1.8340   0.6756   1.9020   0.9896   1.7660   0.9201 0.1361000 1.351000 
1 1 1   71   11    1 f   3.1030   1.0220   3.1670   1.4730   3.0380   1.4160 0.1287000 2.044000 
1 1 1   71   11    2 o   2.9300   0.9454   2.9790   1.3590   2.8810   1.3150 0.9767000E-01 1.891000 
1 1 1   71   11    3 o   6.7460   0.9539   6.8790   1.3460   6.6130   1.3520 0.2658000 1.908000 
1 1 1   71   11    4 o   3.6670   1.1150   2.7310   1.3310   4.6030   1.7880 -1.872000 2.229000 
1 1 1   71   11    5 o   1.8940   0.6795   1.9740   0.9972   1.8150   0.9234 0.1594000 1.359000 
1 1 1   71   11    6 o   2.5650   0.8745   2.6990   1.2850   2.4310   1.1870 0.2682000 1.749000 
1 1 1   71   11    7 o   2.9100   0.9495   3.5400   1.5260   2.2790   1.1310 1.262000 1.899000 
1 1 1   71   11    8 o   1.8560   0.6722   1.8130   0.9271   1.8990   0.9736 -0.8668000E-01 1.344000 
1 1 1   71   13    0 o   3.0720   1.0850   2.9060   1.4800   3.2380   1.5880 -0.3321000 2.171000 
1 1 1   71   13    1 o   2.5460   0.8501   2.2350   1.1100   2.8580   1.2880 -0.6227000 1.700000 
1 1 1   71   13    2 o   3.1870   0.9580   3.9900   1.5290   2.3840   1.1550 1.605000 1.916000 
1 1 1   71   13    3 o   3.7600   1.0790   4.2320   1.5550   3.2880   1.4970 0.9441000 2.159000 
1 1 1   71   13    4 o   2.6220   0.9073   2.8950   1.3860   2.3490   1.1710 0.5459000 1.815000 
1 1 1   71   13    5 o   3.1820   0.9946   2.9070   1.3370   3.4580   1.4730 -0.5511000 1.989000 
1 1 1   71   13    6 o   2.4350   0.8619   2.7230   1.3220   2.1470   1.1060 0.5753000 1.724000 
1 1 1   71   15    0 o   3.1690   1.1020   3.0000   1.4880   3.3380   1.6260 -0.3377000 2.204000 
1 1 1   71   15    1 o   3.1530   0.9582   2.7270   1.2610   3.5790   1.4430 -0.8518000 1.916000 
1 1 1   71   15    2 o   2.7190   0.8999   2.8620   1.3120   2.5770   1.2320 0.2854000 1.800000 
1 1 1   71   15    3 o   2.6890   0.9645   2.9940   1.4860   2.3840   1.2300 0.6103000 1.929000 
1 1 1   72    0    0 o   2.5380   1.6080   2.5380   1.6080   2.5380   1.6080 -0.000000 0.000000 
1 1 1   72    0    1 o   12.720   0.8720   12.720   0.8720   12.720   0.8720 -0.000000 0.000000 
1 1 1   72    0    2 o   7.4090   1.7720   7.4090   1.7720   7.4090   1.7720 0.000000 0.000000 
1 1 1   72    0    3 o   2.4670   1.6190   2.4670   1.6190   2.4670   1.6190 -0.000000 0.000000 
1 1 1   72    0    4 o   3.4830   1.9420   3.4830   1.9420   3.4830   1.9420 0.000000 0.000000 
1 1 1   72    0    5 o   3.8230   2.0240   3.8230   2.0240   3.8230   2.0240 0.000000 0.000000 
1 1 1   72    0    6 o   3.6430   1.9900   3.6430   1.9900   3.6430   1.9900 0.000000 0.000000 
1 1 1   72    0    7 o   2.8830   1.8630   2.8830   1.8630   2.8830   1.8630 -0.000000 0.000000 
1 1 1   72    0    8 o   2.4350   1.7040   2.4350   1.7040   2.4350   1.7040 0.000000 0.000000 
1 1 1   72    0    9 o   2.0610   1.4430   2.0610   1.4430   2.0610   1.4430 0.000000 0.000000 
1 1 1   72    0   10 o   1.8760   1.3400   1.8760   1.3400   1.8760   1.3400 -0.000000 0.000000 
1 1 1   72    0   11 o   2.7870   1.7940   2.7870   1.7940   2.7870   1.7940 -0.000000 0.000000 
1 1 1   72    2    0 o   8.2110   0.9596   8.1440   1.3570   8.2780   1.3570 -0.1342000 1.919000 
1 1 1   72    2    1 o   3.3640   1.0410   3.2340   1.4750   3.4950   1.4700 -0.2613000 2.082000 
1 1 1   72    2    2 o   3.1280   0.9839   3.7930   1.5630   2.4620   1.1950 1.331000 1.968000 
1 1 1   72    2    3 o   3.6340   1.0500   4.5870   1.6650   2.6810   1.2800 1.906000 2.101000 
1 1 1   72    2    4 o   3.7110   1.1100   3.7010   1.5710   3.7210   1.5680 -0.1983000E-01 2.220000 
1 1 1   72    2    5 o   3.0850   1.0060   3.1510   1.4460   3.0190   1.4010 0.1314000 2.013000 
1 1 1   72    2    6 o   3.9530   1.1910   3.9470   1.6880   3.9600   1.6790 -0.1303000E-01 2.381000 
1 1 1   72    2    7 o   2.7960   0.9398   3.4150   1.5230   2.1770   1.1010 1.237000 1.880000 
1 1 1   72    2    8 o   4.7150   1.2680   4.6690   1.7410   4.7620   1.8440 -0.9288000E-01 2.536000 
1 1 1   72    2    9 o   2.4810   0.8763   2.7250   1.3390   2.2360   1.1310 0.4887000 1.753000 
1 1 1   72    2   10 o   2.2820   0.8092   2.3930   1.1920   2.1710   1.0940 0.2217000 1.618000 
1 1 1   72    2   11 o   2.7520   0.9570   3.0610   1.4710   2.4430   1.2240 0.6182000 1.914000 
1 1 1   72    4    0 o   3.3910   0.9840   3.9670   1.5000   2.8150   1.2740 1.152000 1.968000 
1 1 1   72    4    1 o   3.5790   1.0100   4.3110   1.5510   2.8470   1.2930 1.464000 2.020000 
1 1 1   72    4    2 o   3.3650   1.1020   3.4680   1.5480   3.2620   1.5690 0.2057000 2.204000 
1 1 1   72    4    3 o   3.9450   1.0190   5.6240   1.7030   2.2660   1.1190 3.357000 2.038000 
1 1 1   72    4    4 o   4.7360   1.1030   3.0260   1.4270   6.4470   1.6820 -3.421000 2.206000 
1 1 1   72    4    5 o   4.5690   1.2440   4.3240   1.7500   4.8140   1.7680 -0.4897000 2.487000 
1 1 1   72    4    6 o   4.7830   1.1460   3.6660   1.5890   5.8990   1.6510 -2.233000 2.291000 
1 1 1   72    4    7 o   2.8940   0.9543   3.7420   1.6040   2.0450   1.0340 1.697000 1.909000 
1 1 1   72    4    8 o   4.6940   1.2170   4.3550   1.7150   5.0330   1.7280 -0.6779000 2.434000 
1 1 1   72    4    9 o   2.7280   0.9397   2.7780   1.3400   2.6780   1.3180 0.9978000E-01 1.879000 
1 1 1   72    4   10 o   2.4460   0.8799   2.2160   1.1350   2.6750   1.3450 -0.4593000 1.760000 
1 1 1   72    4   11 o   2.4190   0.8505   2.6260   1.2860   2.2120   1.1130 0.4133000 1.701000 
1 1 1   72    6    0 o   11.930   0.5926   12.950   0.7961   10.910   0.8780 2.046000 1.185000 
1 1 1   72    6    1 o   6.6400   1.0410   5.2500   1.5580   8.0310   1.3810 -2.781000 2.082000 
1 1 1   72    6    2 o   2.5990   0.8782   2.8030   1.3190   2.3950   1.1600 0.4081000 1.756000 
1 1 1   72    6    3 f   4.0020   1.1900   3.6450   1.6200   4.3590   1.7440 -0.7132000 2.380000 
1 1 1   72    6    4 o   3.4800   1.0580   3.6300   1.5290   3.3300   1.4640 0.2996000 2.117000 
1 1 1   72    6    5 o   6.0870   1.1010   7.2190   1.4440   4.9550   1.6620 2.264000 2.202000 
1 1 1   72    6    6 o   3.4270   1.0710   3.4430   1.5210   3.4100   1.5070 0.3302000E-01 2.141000 
1 1 1   72    6    7 o   3.2620   1.0350   2.7430   1.3200   3.7800   1.5950 -1.037000 2.071000 
1 1 1   72    6    8 o   2.5590   0.8993   2.7930   1.3680   2.3250   1.1670 0.4674000 1.799000 
1 1 1   72    6    9 o   2.4800   0.8768   2.8640   1.3920   2.0960   1.0670 0.7681000 1.754000 
1 1 1   72    6   10 o   1.9720   0.7154   1.8070   0.9310   2.1360   1.0870 -0.3281000 1.431000 
1 1 1   72    8    0 o   5.9250   1.5590   6.7870   2.1340   5.0620   2.2740 1.725000 3.119000 
1 1 1   72    8    1 o   5.7580   0.9742   7.5670   1.3140   3.9480   1.4390 3.618000 1.948000 
1 1 1   72    8    2 o   4.9900   1.0660   5.5250   1.4850   4.4550   1.5290 1.070000 2.131000 
1 1 1   72    8    3 o   4.5080   1.1680   4.6500   1.5820   4.3670   1.7180 0.2825000 2.335000 
1 1 1   72    8    4 o   3.6770   1.0780   3.1700   1.4810   4.1840   1.5650 -1.015000 2.155000 
1 1 1   72    8    5 o   3.3660   1.0230   4.1770   1.6290   2.5540   1.2380 1.623000 2.046000 
1 1 1   72    8    6 o   3.2670   1.0620   3.0790   1.4480   3.4560   1.5540 -0.3778000 2.124000 
1 1 1   72    8    7 o   2.9350   0.9819   2.5050   1.2240   3.3640   1.5360 -0.8590000 1.964000 
1 1 1   72    8    8 o   2.6770   0.9122   2.9640   1.3910   2.3910   1.1800 0.5731000 1.824000 
1 1 1   72    8    9 o   2.1790   0.7728   1.9220   0.9783   2.4360   1.1960 -0.5140000 1.546000 
1 1 1   72   10    0 o   3.6150   1.2640   3.2090   1.6170   4.0210   1.9440 -0.8124000 2.528000 
1 1 1   72   10    1 o   3.1960   1.0060   3.2680   1.4460   3.1230   1.3990 0.1447000 2.012000 
1 1 1   72   10    2 o   3.7910   1.0610   3.7300   1.5040   3.8520   1.4980 -0.1214000 2.123000 
1 1 1   72   10    3 o   3.2410   1.0020   3.8240   1.5590   2.6590   1.2610 1.165000 2.005000 
1 1 1   72   10    4 o   2.5450   0.9012   2.7100   1.3420   2.3810   1.2030 0.3289000 1.802000 
1 1 1   72   10    5 o   2.8070   0.9147   2.1380   1.0660   3.4770   1.4870 -1.339000 1.829000 
1 1 1   72   10    6 o   2.6110   0.8843   2.0910   1.0480   3.1320   1.4240 -1.041000 1.769000 
1 1 1   72   10    7 o   2.6940   0.9072   2.3870   1.1720   3.0010   1.3850 -0.6140000 1.814000 
1 1 1   72   10    8 o   2.4810   0.9061   2.3460   1.2140   2.6160   1.3460 -0.2698000 1.812000 
1 1 1   72   12    0 o   2.8080   1.0160   2.8920   1.4750   2.7240   1.3980 0.1673000 2.032000 
1 1 1   72   12    1 o   2.2250   0.8028   2.4100   1.2290   2.0390   1.0330 0.3702000 1.606000 
1 1 1   72   12    2 o   3.1150   0.9631   3.3150   1.4100   2.9150   1.3120 0.3995000 1.926000 
1 1 1   72   12    3 o   3.0670   0.9570   2.7010   1.2620   3.4330   1.4390 -0.7319000 1.914000 
1 1 1   72   12    4 o   3.3710   1.0380   2.2070   1.1120   4.5350   1.7530 -2.328000 2.076000 
1 1 1   72   12    5 o   2.6120   0.8773   2.9660   1.3570   2.2580   1.1120 0.7087000 1.755000 
1 1 1   72   12    6 o   2.3370   0.8482   2.2130   1.1220   2.4620   1.2720 -0.2485000 1.696000 
1 1 1   72   14    0 o   2.6870   0.9590   2.6240   1.3280   2.7500   1.3840 -0.1262000 1.918000 
1 1 1   72   14    1 o   2.2600   0.7931   2.6270   1.2730   1.8930   0.9463 0.7340000 1.586000 
1 1 1   72   14    2 o   2.5580   0.8436   1.9540   0.9803   3.1610   1.3730 -1.207000 1.687000 
1 1 1   72   14    3 f   2.4370   0.8640   2.4860   1.2240   2.3890   1.2200 0.9642000E-01 1.728000 
1 1 1   73    1    0 o   6.4990   1.0730   7.1060   1.5420   5.8910   1.4930 1.215000 2.146000 
1 1 1   73    1    1 o   4.8460   1.0820   3.7840   1.5330   5.9080   1.5280 -2.124000 2.164000 
1 1 1   73    1    2 o   11.410   0.6275   12.520   0.7860   10.300   0.9784 2.218000 1.255000 
1 1 1   73    1    3 f   7.0810   1.1110   6.5050   1.5630   7.6570   1.5800 -1.152000 2.222000 
1 1 1   73    1    4 o   7.0870   1.1320   6.7870   1.7450   7.3870   1.4410 -0.6005000 2.264000 
1 1 1   73    1    5 o   5.5500   1.1740   4.8140   1.7040   6.2850   1.6160 -1.471000 2.349000 
1 1 1   73    1    6 o   4.6550   1.2180   5.5620   1.8410   3.7480   1.5960 1.814000 2.436000 
1 1 1   73    1    7 o   2.4680   0.8691   2.6460   1.3020   2.2890   1.1520 0.3570000 1.738000 
1 1 1   73    1    8 o   2.9010   0.9914   3.0450   1.4520   2.7570   1.3500 0.2877000 1.983000 
1 1 1   73    1    9 o   2.1780   0.7783   2.1630   1.1010   2.1920   1.1010 -0.2961000E-01 1.557000 
1 1 1   73    1   10 f   2.2040   0.7855   2.4120   1.1990   1.9970   1.0150 0.4155000 1.571000 
1 1 1   73    3    0 o   3.4280   1.0370   4.0800   1.6420   2.7770   1.2660 1.303000 2.073000 
1 1 1   73    3    1 o   4.1970   1.1610   4.9380   1.7390   3.4560   1.5400 1.482000 2.323000 
1 1 1   73    3    2 o   2.5840   0.8675   2.3370   1.1440   2.8310   1.3050 -0.4941000 1.735000 
1 1 1   73    3    3 o   7.1010   1.0260   6.4360   1.5050   7.7660   1.3930 -1.330000 2.051000 
1 1 1   73    3    4 o   3.7260   1.1170   4.4280   1.7440   3.0230   1.3940 1.405000 2.233000 
1 1 1   73    3    5 o   3.1960   1.0460   2.9200   1.4020   3.4720   1.5520 -0.5519000 2.092000 
1 1 1   73    3    6 o   4.0330   1.1650   3.5310   1.5540   4.5350   1.7350 -1.004000 2.329000 
1 1 1   73    3    7 o   3.1690   1.0190   2.8120   1.3450   3.5250   1.5300 -0.7129000 2.037000 
1 1 1   73    3    8 o   3.4660   1.0650   4.2570   1.6950   2.6750   1.2890 1.581000 2.130000 
1 1 1   73    3    9 o   2.9270   1.0020   2.6970   1.3300   3.1560   1.4980 -0.4588000 2.003000 
1 1 1   73    3   10 o   2.5330   0.8912   2.3430   1.1810   2.7230   1.3350 -0.3808000 1.782000 
1 1 1   73    5    0 o   4.1760   1.0690   3.8690   1.5460   4.4840   1.4770 -0.6150000 2.139000 
1 1 1   73    5    1 o   5.7080   0.9653   4.5470   1.5270   6.8700   1.1820 -2.324000 1.931000 
1 1 1   73    5    2 o   3.7820   1.2450   3.7980   1.7000   3.7660   1.8190 0.3219000E-01 2.490000 
1 1 1   73    5    3 o   4.2290   1.2190   5.0120   1.9350   3.4450   1.4830 1.567000 2.438000 
1 1 1   73    5    4 o   7.1240   1.0260   8.6770   1.1400   5.5700   1.7050 3.106000 2.051000 
1 1 1   73    5    5 o   3.0810   0.9813   3.7920   1.5760   2.3710   1.1700 1.421000 1.963000 
1 1 1   73    5    6 o   2.4530   0.8571   2.7030   1.3130   2.2030   1.1020 0.5001000 1.714000 
1 1 1   73    5    7 o   3.3870   1.0580   2.9780   1.3930   3.7960   1.5940 -0.8177000 2.117000 
1 1 1   73    5    8 o   3.3620   1.0500   4.0860   1.6650   2.6380   1.2790 1.448000 2.099000 
1 1 1   73    5    9 o   2.1920   0.7862   2.0690   1.0550   2.3150   1.1660 -0.2451000 1.572000 
1 1 1   73    5   10 o   2.1000   0.7709   2.0080   1.0430   2.1930   1.1360 -0.1847000 1.542000 
1 1 1   73    7    0 o   6.2380   1.4320   6.1280   2.5010   6.3480   1.3980 -0.2197000 2.865000 
1 1 1   73    7    1 o   3.9270   1.0640   2.9900   1.3720   4.8630   1.6270 -1.873000 2.128000 
1 1 1   73    7    2 o   3.6690   0.9981   2.8620   1.3060   4.4760   1.5090 -1.615000 1.996000 
1 1 1   73    7    3 o   3.1810   1.0350   3.6600   1.6010   2.7010   1.3130 0.9592000 2.070000 
1 1 1   73    7    4 o   3.2960   1.0140   3.3190   1.4370   3.2740   1.4310 0.4457000E-01 2.028000 
1 1 1   73    7    5 o   2.4170   0.8348   2.7330   1.2950   2.1020   1.0540 0.6311000 1.670000 
1 1 1   73    7    6 o   2.5080   0.8640   2.4000   1.1800   2.6150   1.2620 -0.2157000 1.728000 
1 1 1   73    7    7 o   2.4500   0.8647   2.3370   1.1830   2.5630   1.2620 -0.2263000 1.729000 
1 1 1   73    7    8 o   2.7440   0.9209   3.3690   1.5020   2.1190   1.0660 1.250000 1.842000 
1 1 1   73    7    9 o   1.7900   0.6573   1.8290   0.9518   1.7510   0.9067 0.7868000E-01 1.315000 
1 1 1   73    9    0 o   4.5340   1.4970   4.4670   2.0950   4.6020   2.1390 -0.1355000 2.994000 
1 1 1   73    9    1 o   2.6970   0.8875   2.2140   1.0930   3.1800   1.3990 -0.9659000 1.775000 
1 1 1   73    9    2 o   4.0540   1.0390   4.4650   1.4930   3.6420   1.4470 0.8227000 2.079000 
1 1 1   73    9    3 o   2.7250   0.8922   3.0250   1.3510   2.4260   1.1660 0.5991000 1.784000 
1 1 1   73    9    4 o   2.7970   0.9713   2.7340   1.3510   2.8600   1.3960 -0.1261000 1.943000 
1 1 1   73    9    5 o   2.8060   0.9399   2.7220   1.3070   2.8900   1.3510 -0.1677000 1.880000 
1 1 1   73    9    6 o   2.0890   0.7411   2.1050   1.0550   2.0730   1.0410 0.3214000E-01 1.482000 
1 1 1   73    9    7 o   2.7950   0.9339   2.6100   1.2560   2.9800   1.3820 -0.3696000 1.868000 
1 1 1   73    9    8 o   1.0390   0.3839   1.0350   0.5406   1.0440   0.5452 -0.8920000E-02 0.7678000 
1 1 1   73   11    1 o   3.4560   1.1030   2.8170   1.4400   4.0940   1.6700 -1.277000 2.206000 
1 1 1   73   11    2 o   2.8880   0.9158   2.8080   1.2650   2.9680   1.3250 -0.1599000 1.832000 
1 1 1   73   11    3 o   2.5200   0.8395   2.0340   1.0130   3.0060   1.3390 -0.9727000 1.679000 
1 1 1   73   11    4 o   2.2000   0.7870   1.8590   0.9528   2.5400   1.2530 -0.6812000 1.574000 
1 1 1   73   11    5 f   1.9900   0.7071   1.7750   0.9037   2.2050   1.0880 -0.4290000 1.414000 
1 1 1   73   11    6 o   2.1550   0.7914   2.0270   1.0530   2.2820   1.1820 -0.2554000 1.583000 
1 1 1   73   13    0 o   2.8410   1.0180   2.6350   1.3310   3.0470   1.5410 -0.4116000 2.037000 
1 1 1   73   13    1 o   2.5950   0.9138   2.5930   1.3300   2.5960   1.2540 -0.2338000E-02 1.828000 
1 1 1   73   13    2 o   2.7800   0.8837   3.3530   1.4000   2.2070   1.0790 1.146000 1.767000 
1 1 1   73   13    3 o   1.8990   0.6932   1.6860   0.8598   2.1110   1.0880 -0.4256000 1.386000 
1 1 1   74    0    0 o   4.3190   2.0640   4.3190   2.0640   4.3190   2.0640 -0.000000 0.000000 
1 1 1   74    0    1 o   3.2140   1.8400   3.2140   1.8400   3.2140   1.8400 -0.000000 0.000000 
1 1 1   74    0    2 o   12.290   0.8296   12.290   0.8296   12.290   0.8296 -0.000000 0.000000 
1 1 1   74    0    3 o   6.7070   1.7310   6.7070   1.7310   6.7070   1.7310 0.000000 0.000000 
1 1 1   74    0    4 o   2.1630   1.5080   2.1630   1.5080   2.1630   1.5080 0.000000 0.000000 
1 1 1   74    0    5 o   2.2470   1.5240   2.2470   1.5240   2.2470   1.5240 -0.000000 0.000000 
1 1 1   74    0    6 o   2.7320   1.7420   2.7320   1.7420   2.7320   1.7420 -0.000000 0.000000 
1 1 1   74    0    7 o   2.0450   1.4730   2.0450   1.4730   2.0450   1.4730 -0.000000 0.000000 
1 1 1   74    0    8 o   1.8120   1.3080   1.8120   1.3080   1.8120   1.3080 0.000000 0.000000 
1 1 1   74    0    9 o   2.0190   1.4170   2.0190   1.4170   2.0190   1.4170 -0.000000 0.000000 
1 1 1   74    2    0 o   4.0710   1.2400   4.3480   1.8410   3.7940   1.6620 0.5546000 2.480000 
1 1 1   74    2    1 o   3.2610   1.0060   3.1110   1.4050   3.4120   1.4400 -0.3007000 2.012000 
1 1 1   74    2    2 o   2.9420   0.9616   3.0060   1.3820   2.8780   1.3380 0.1272000 1.923000 
1 1 1   74    2    3 o   3.9860   1.1640   3.8310   1.5840   4.1400   1.7060 -0.3098000 2.328000 
1 1 1   74    2    4 o   3.4420   1.0660   3.5590   1.5380   3.3250   1.4750 0.2338000 2.131000 
1 1 1   74    2    5 o   2.4910   0.8673   2.5060   1.2420   2.4760   1.2110 0.2966000E-01 1.735000 
1 1 1   74    2    6 o   3.0050   1.0090   2.9230   1.4060   3.0880   1.4490 -0.1656000 2.018000 
1 1 1   74    2    7 o   3.2340   1.0040   4.2390   1.6720   2.2290   1.1140 2.010000 2.009000 
1 1 1   74    2    8 o   2.8900   0.9794   2.7950   1.3390   2.9840   1.4300 -0.1889000 1.959000 
1 1 1   74    2    9 o   2.1390   0.7682   2.1630   1.0980   2.1150   1.0750 0.4761000E-01 1.536000 
1 1 1   74    4    0 o   6.3190   0.9912   8.0680   1.2570   4.5700   1.5330 3.498000 1.982000 
1 1 1   74    4    1 o   5.1230   1.1650   5.0770   1.5380   5.1680   1.7490 -0.9159000E-01 2.330000 
1 1 1   74    4    2 o   4.8640   1.3250   4.6130   1.7410   5.1150   1.9960 -0.5026000 2.649000 
1 1 1   74    4    3 o   3.5420   1.0800   3.5370   1.5290   3.5480   1.5250 -0.1034000E-01 2.159000 
1 1 1   74    4    4 o   3.0240   1.0010   3.0870   1.4360   2.9610   1.3960 0.1263000 2.002000 
1 1 1   74    4    5 o   2.3820   0.8294   2.2890   1.1360   2.4740   1.2090 -0.1854000 1.659000 
1 1 1   74    4    6 o   4.2810   1.1750   4.3840   1.6740   4.1790   1.6500 0.2049000 2.351000 
1 1 1   74    4    7 o   2.3060   0.8090   2.2480   1.1230   2.3630   1.1650 -0.1145000 1.618000 
1 1 1   74    4    8 o   2.5140   0.8700   2.7400   1.3150   2.2880   1.1390 0.4516000 1.740000 
1 1 1   74    4    9 o   2.3490   0.8524   2.4190   1.2470   2.2790   1.1630 0.1397000 1.705000 
1 1 1   74    6    0 o   4.9070   1.1330   5.1550   1.6220   4.6590   1.5820 0.4965000 2.266000 
1 1 1   74    6    1 o   3.3570   1.0070   3.1840   1.3920   3.5310   1.4540 -0.3469000 2.013000 
1 1 1   74    6    2 o   2.5120   0.8503   2.4530   1.1890   2.5720   1.2160 -0.1185000 1.701000 
1 1 1   74    6    3 o   3.2520   1.0580   3.2500   1.4940   3.2550   1.4980 -0.4849000E-02 2.116000 
1 1 1   74    6    4 o   3.1190   0.9540   2.2280   1.1020   4.0100   1.5580 -1.782000 1.908000 
1 1 1   74    6    5 o   2.7170   0.9118   2.6690   1.2740   2.7650   1.3050 -0.9529000E-01 1.824000 
1 1 1   74    6    6 o   5.6720   1.1290   4.6810   1.6630   6.6630   1.5280 -1.982000 2.258000 
1 1 1   74    6    7 o   2.4300   0.8627   2.7400   1.3570   2.1190   1.0660 0.6216000 1.725000 
1 1 1   74    6    8 o   2.1270   0.7629   2.0640   1.0510   2.1900   1.1060 -0.1255000 1.526000 
1 1 1   74    8    0 o   3.4800   1.2220   3.4910   1.7320   3.4700   1.7230 0.2110000E-01 2.443000 
1 1 1   74    8    1 o   3.2160   0.9957   3.5610   1.4890   2.8710   1.3230 0.6897000 1.991000 
1 1 1   74    8    2 o   3.0500   0.9405   2.7360   1.2560   3.3630   1.4010 -0.6268000 1.881000 
1 1 1   74    8    3 o   2.5630   0.8759   2.4270   1.1630   2.6980   1.3100 -0.2715000 1.752000 
1 1 1   74    8    4 o   3.2250   1.0220   3.1160   1.4580   3.3340   1.4310 -0.2183000 2.043000 
1 1 1   74    8    5 o   2.9440   0.9701   2.6610   1.2850   3.2270   1.4530 -0.5656000 1.940000 
1 1 1   74    8    6 o   2.3840   0.8368   2.7490   1.3240   2.0190   1.0240 0.7301000 1.674000 
1 1 1   74    8    7 o   2.2230   0.7986   2.0520   1.0400   2.3950   1.2120 -0.3431000 1.597000 
1 1 1   74   10    0 o   3.3190   1.1740   3.7670   1.8380   2.8720   1.4610 0.8954000 2.348000 
1 1 1   74   10    1 o   2.5470   0.8986   2.5850   1.3280   2.5080   1.2110 0.7685000E-01 1.797000 
1 1 1   74   10    2 o   2.5990   0.8576   2.4810   1.1700   2.7170   1.2540 -0.2361000 1.715000 
1 1 1   74   10    3 o   2.3460   0.8070   2.3270   1.1350   2.3640   1.1470 -0.3767000E-01 1.614000 
1 1 1   74   10    4 o   3.1580   1.0310   3.6940   1.6150   2.6220   1.2830 1.072000 2.063000 
1 1 1   74   10    5 o   1.9630   0.6988   1.9870   0.9991   1.9400   0.9773 0.4702000E-01 1.398000 
1 1 1   74   12    0 o   2.4230   0.8777   2.4130   1.2430   2.4330   1.2390 -0.2020000E-01 1.755000 
1 1 1   74   12    1 o   2.6480   0.9423   2.9000   1.4720   2.3960   1.1770 0.5044000 1.885000 
1 1 1   74   12    2 o   2.0680   0.7216   2.0460   1.0120   2.0910   1.0290 -0.4523000E-01 1.443000 
1 1 1   74   12    3 o   2.0370   0.7414   2.0920   1.0840   1.9810   1.0110 0.1105000 1.483000 
1 1 1   75    1    0 o   4.0580   1.0910   3.1080   1.4290   5.0090   1.6500 -1.901000 2.183000 
1 1 1   75    1    1 o   4.7830   1.1460   4.5570   1.6190   5.0090   1.6240 -0.4510000 2.293000 
1 1 1   75    1    2 o   3.4750   1.0260   4.4280   1.6480   2.5230   1.2240 1.904000 2.052000 
1 1 1   75    1    3 f   3.6020   1.0890   3.4330   1.4980   3.7710   1.5820 -0.3379000 2.179000 
1 1 1   75    1    4 o   3.3760   1.0520   3.0930   1.4200   3.6580   1.5520 -0.5643000 2.103000 
1 1 1   75    1    5 o   2.5090   0.8642   2.4150   1.1880   2.6030   1.2550 -0.1880000 1.728000 
1 1 1   75    1    6 o   2.5560   0.8912   2.2870   1.1490   2.8240   1.3620 -0.5375000 1.782000 
1 1 1   75    1    7 o   2.4850   0.8737   2.4900   1.2390   2.4790   1.2320 0.1064000E-01 1.747000 
1 1 1   75    1    8 o   2.7090   0.9422   2.7610   1.3540   2.6570   1.3110 0.1041000 1.884000 
1 1 1   75    3    0 o   5.9880   1.0710   5.4470   1.6840   6.5290   1.3250 -1.082000 2.143000 
1 1 1   75    3    1 o   3.7480   1.1290   3.9310   1.6380   3.5660   1.5550 0.3650000 2.258000 
1 1 1   75    3    2 o   3.8080   1.0740   4.1350   1.5740   3.4810   1.4600 0.6537000 2.147000 
1 1 1   75    3    3 o   2.9420   0.9771   2.6050   1.2500   3.2790   1.5020 -0.6739000 1.954000 
1 1 1   75    3    4 o   3.0340   0.9940   2.5750   1.2570   3.4930   1.5400 -0.9180000 1.988000 
1 1 1   75    3    5 o   3.3390   1.0630   3.8410   1.6360   2.8370   1.3580 1.004000 2.126000 
1 1 1   75    3    6 f   2.7770   0.9310   3.0140   1.3980   2.5390   1.2300 0.4744000 1.862000 
1 1 1   75    3    7 o   2.3280   0.8158   2.1430   1.0770   2.5130   1.2250 -0.3701000 1.632000 
1 1 1   75    3    8 o   2.5190   0.8809   2.8860   1.3920   2.1520   1.0800 0.7342000 1.762000 
1 1 1   75    5    0 o   3.6960   1.0800   3.9800   1.5710   3.4120   1.4830 0.5672000 2.160000 
1 1 1   75    5    1 o   3.4550   1.0120   3.3360   1.4370   3.5750   1.4260 -0.2388000 2.025000 
1 1 1   75    5    2 o   2.8840   1.0060   2.9730   1.4300   2.7960   1.4160 0.1768000 2.012000 
1 1 1   75    5    3 o   2.8620   0.9507   2.5670   1.2740   3.1570   1.4120 -0.5904000 1.901000 
1 1 1   75    5    4 f   3.0660   0.9839   2.9180   1.3460   3.2140   1.4350 -0.2963000 1.968000 
1 1 1   75    5    5 o   2.8760   0.9390   3.4450   1.4920   2.3080   1.1410 1.137000 1.878000 
1 1 1   75    5    6 o   2.2660   0.7955   2.2200   1.1050   2.3130   1.1440 -0.9368000E-01 1.591000 
1 1 1   75    5    7 o   2.0780   0.7424   2.2260   1.1100   1.9300   0.9863 0.2962000 1.485000 
1 1 1   75    7    0 o   3.6610   1.1130   3.2600   1.6320   4.0610   1.5140 -0.8008000 2.226000 
1 1 1   75    7    1 o   2.1860   0.7581   2.2570   1.1090   2.1160   1.0340 0.1406000 1.516000 
1 1 1   75    7    2 f   4.3960   0.9134   6.1110   1.3480   2.6800   1.2330 3.431000 1.827000 
1 1 1   75    7    3 o   2.2680   0.8037   2.1690   1.0930   2.3670   1.1780 -0.1985000 1.607000 
1 1 1   75    7    4 o   2.1530   0.7538   2.2270   1.0960   2.0790   1.0350 0.1485000 1.508000 
1 1 1   75    7    5 o   3.5200   1.0540   3.6550   1.5180   3.3860   1.4620 0.2696000 2.108000 
1 1 1   75    7    6 o   2.1400   0.7639   1.7790   0.9120   2.5020   1.2260 -0.7229000 1.528000 
1 1 1   75    9    0 o   2.7760   0.9916   2.7530   1.4040   2.7990   1.4000 -0.4644000E-01 1.983000 
1 1 1   75    9    1 o   3.1700   1.0590   3.5850   1.6940   2.7550   1.2720 0.8300000 2.118000 
1 1 1   75    9    2 o   2.8190   0.8933   2.5960   1.2010   3.0410   1.3220 -0.4447000 1.787000 
1 1 1   75    9    3 o   2.1830   0.7604   2.0720   1.0310   2.2940   1.1180 -0.2215000 1.521000 
1 1 1   75    9    4 o   2.5540   0.8974   2.5240   1.2560   2.5850   1.2820 -0.6105000E-01 1.795000 
1 1 1   75    9    5 o   2.0100   0.7381   1.9790   1.0280   2.0400   1.0590 -0.6066000E-01 1.476000 
1 1 1   75   11    0 o   2.3170   1.1980  ?   ?    2.3170   1.1980      ?      ? 
1 1 1   75   11    1 o   2.8960   1.4730   2.8960   1.4730  ?   ?       ?      ? 
1 1 1   75   11    2 o   1.8490   0.6685   1.9460   1.0050   1.7520   0.8823 0.1940000 1.337000 
1 1 1   75   11    3 f   1.7750   0.9241  ?   ?    1.7750   0.9241      ?      ? 
1 1 1   76    0    0 o   2.4620   1.6650   2.4620   1.6650   2.4620   1.6650 -0.000000 0.000000 
1 1 1   76    0    1 o   1.8350   1.2890   1.8350   1.2890   1.8350   1.2890 0.000000 0.000000 
1 1 1   76    0    2 o   2.2980   1.5300   2.2980   1.5300   2.2980   1.5300 -0.000000 0.000000 
1 1 1   76    0    3 o   2.9340   1.7780   2.9340   1.7780   2.9340   1.7780 -0.000000 0.000000 
1 1 1   76    0    4 o   2.7100   1.7570   2.7100   1.7570   2.7100   1.7570 0.000000 0.000000 
1 1 1   76    0    5 o   1.7630   1.2570   1.7630   1.2570   1.7630   1.2570 0.000000 0.000000 
1 1 1   76    0    6 o   1.9750   1.3780   1.9750   1.3780   1.9750   1.3780 -0.000000 0.000000 
1 1 1   76    0    7 o   2.3950   1.6750   2.3950   1.6750   2.3950   1.6750 0.000000 0.000000 
1 1 1   76    2    0 o   3.2770   1.1020   3.7090   1.6790   2.8460   1.4280 0.8631000 2.204000 
1 1 1   76    2    1 o   4.0750   1.0590   3.1490   1.4320   5.0010   1.5600 -1.852000 2.118000 
1 1 1   76    2    2 o   3.2080   0.9988   3.6590   1.5170   2.7580   1.3000 0.9012000 1.998000 
1 1 1   76    2    3 o   3.0440   0.9728   3.5840   1.5200   2.5030   1.2150 1.081000 1.946000 
1 1 1   76    2    4 o   2.4320   0.8399   2.2970   1.1350   2.5670   1.2390 -0.2705000 1.680000 
1 1 1   76    2    5 o   2.6910   0.9228   2.5040   1.2360   2.8780   1.3710 -0.3744000 1.846000 
1 1 1   76    2    6 o   2.7900   0.9506   3.0880   1.4490   2.4920   1.2300 0.5966000 1.901000 
1 1 1   76    2    7 o   2.0380   0.7326   2.2180   1.1180   1.8590   0.9476 0.3589000 1.465000 
1 1 1   76    4    0 o   3.2690   0.9917   2.2630   1.1320   4.2740   1.6290 -2.011000 1.983000 
1 1 1   76    4    1 o   1.9780   0.7052   1.9520   0.9796   2.0040   1.0150 -0.5170000E-01 1.410000 
1 1 1   76    4    2 o   2.4830   0.8643   2.5410   1.2460   2.4240   1.1980 0.1170000 1.729000 
1 1 1   76    4    3 o   2.5670   0.8763   2.6970   1.2880   2.4370   1.1880 0.2604000 1.753000 
1 1 1   76    4    4 o   2.6320   0.8986   2.4570   1.2040   2.8060   1.3340 -0.3487000 1.797000 
1 1 1   76    4    5 o   2.7260   0.9159   2.5970   1.2490   2.8550   1.3400 -0.2575000 1.832000 
1 1 1   76    4    6 o   2.4110   0.8405   2.4180   1.1970   2.4040   1.1800 0.1390000E-01 1.681000 
1 1 1   76    4    7 o   1.1470   0.4234   1.1590   0.6053   1.1340   0.5923 0.2488000E-01 0.8469000 
1 1 1   76    6    0 o   2.8730   0.8959   1.9930   0.9983   3.7530   1.4880 -1.759000 1.792000 
1 1 1   76    6    1 o   4.1830   1.0490   3.9160   1.4850   4.4500   1.4810 -0.5336000 2.098000 
1 1 1   76    6    2 o   2.4510   0.8352   2.2620   1.1020   2.6410   1.2560 -0.3788000 1.670000 
1 1 1   76    6    3 o   2.2220   0.7876   2.0670   1.0460   2.3780   1.1780 -0.3105000 1.575000 
1 1 1   76    6    4 o   2.7600   0.9069   2.9160   1.3330   2.6030   1.2290 0.3130000 1.814000 
1 1 1   76    6    5 o   2.3230   0.8064   2.1680   1.0750   2.4790   1.2020 -0.3106000 1.613000 
1 1 1   76    6    6 o   1.6770   0.6184   1.6020   0.8350   1.7530   0.9125 -0.1509000 1.237000 
1 1 1   76    8    0 o   2.6870   0.9664   2.8980   1.4700   2.4760   1.2550 0.4218000 1.933000 
1 1 1   76    8    1 o   3.0710   0.9458   2.4970   1.1870   3.6450   1.4730 -1.147000 1.892000 
1 1 1   76    8    2 o   2.1130   0.7311   2.0940   1.0260   2.1320   1.0410 -0.3769000E-01 1.462000 
1 1 1   76    8    3 o   2.2610   0.7839   2.4440   1.1650   2.0780   1.0490 0.3667000 1.568000 
1 1 1   76    8    4 o   2.9160   0.9955   3.0320   1.4510   2.8010   1.3640 0.2315000 1.991000 
1 1 1   76   10    0 o   2.4800   0.9007   2.4850   1.2770   2.4740   1.2710 0.1104000E-01 1.801000 
1 1 1   76   10    1 o   2.3340   1.2050   2.3340   1.2050  ?   ?       ?      ? 
1 1 1   76   10    2 o   1.9600   0.7127   1.8930   0.9839   2.0270   1.0310 -0.1347000 1.425000 
1 1 1   77    1    0 o   3.6590   1.1230   2.8990   1.3970   4.4190   1.7590 -1.520000 2.246000 
1 1 1   77    1    1 o   3.9590   1.1020   3.9370   1.5560   3.9820   1.5610 -0.4576000E-01 2.204000 
1 1 1   77    1    2 o   3.5210   1.0620   3.4510   1.4830   3.5910   1.5190 -0.1394000 2.123000 
1 1 1   77    1    3 o   2.5810   0.8759   2.9400   1.3600   2.2220   1.1040 0.7175000 1.752000 
1 1 1   77    1    4 o   2.3360   0.8219   2.1100   1.0590   2.5620   1.2570 -0.4513000 1.644000 
1 1 1   77    1    5 o   2.9700   0.9744   2.5870   1.2660   3.3530   1.4810 -0.7664000 1.949000 
1 1 1   77    1    6 o   1.9440   0.7127   1.9280   1.0000   1.9600   1.0150 -0.3111000E-01 1.425000 
1 1 1   77    3    0 o   2.2270   0.7880   2.1700   1.0920   2.2830   1.1360 -0.1121000 1.576000 
1 1 1   77    3    1 o   3.6490   1.1040   4.0420   1.6340   3.2570   1.4840 0.7854000 2.207000 
1 1 1   77    3    2 o   3.0770   0.9701   2.8950   1.3260   3.2600   1.4160 -0.3647000 1.940000 
1 1 1   77    3    3 o   2.6530   0.9020   2.5000   1.2050   2.8060   1.3420 -0.3062000 1.804000 
1 1 1   77    3    4 o   2.6620   0.9022   3.2460   1.4680   2.0780   1.0500 1.168000 1.804000 
1 1 1   77    3    5 o   2.4080   0.8427   2.3150   1.1540   2.5010   1.2290 -0.1862000 1.685000 
1 1 1   77    5    0 o   2.4520   0.8437   2.4040   1.1790   2.4990   1.2070 -0.9499000E-01 1.687000 
1 1 1   77    5    1 o   2.6570   0.8655   2.1930   1.0770   3.1210   1.3550 -0.9280000 1.731000 
1 1 1   77    5    2 o   2.3220   0.8259   2.5770   1.2740   2.0670   1.0520 0.5097000 1.652000 
1 1 1   77    5    3 o   2.0870   0.7352   2.1180   1.0510   2.0560   1.0280 0.6271000E-01 1.470000 
1 1 1   77    5    4 o   2.7410   0.9066   2.9000   1.3320   2.5810   1.2300 0.3187000 1.813000 
1 1 1   77    5    5 o   1.8020   0.6636   1.9740   1.0240   1.6300   0.8441 0.3435000 1.327000 
1 1 1   77    7    0 o   2.6750   0.9653   2.8740   1.4550   2.4760   1.2690 0.3986000 1.931000 
1 1 1   77    7    1 o   2.3440   0.7960   2.4460   1.1730   2.2420   1.0760 0.2047000 1.592000 
1 1 1   77    7    2 o   3.2240   0.9866   2.9100   1.2950   3.5380   1.4890 -0.6278000 1.973000 
1 1 1   77    7    3 o   2.1410   0.7686   2.2580   1.1400   2.0240   1.0310 0.2337000 1.537000 
1 1 1   77    9    0 o   2.6560   0.9531   2.7690   1.4100   2.5430   1.2830 0.2258000 1.906000 
1 1 1   77    9    1 o   2.5630   1.3160   2.5630   1.3160  ?   ?       ?      ? 
1 1 1   78    0    0 o   1.7780   1.2830   1.7780   1.2830   1.7780   1.2830 -0.000000 0.000000 
1 1 1   78    0    1 o   1.9360   1.3370   1.9360   1.3370   1.9360   1.3370 0.000000 0.000000 
1 1 1   78    0    2 o   1.6000   1.1500   1.6000   1.1500   1.6000   1.1500 0.000000 0.000000 
1 1 1   78    0    3 o   1.8590   1.3070   1.8590   1.3070   1.8590   1.3070 -0.000000 0.000000 
1 1 1   78    0    4 o   2.9500   1.7770   2.9500   1.7770   2.9500   1.7770 -0.000000 0.000000 
1 1 1   78    0    5 o   0.6896   0.5202   0.6896   0.5202   0.6896   0.5202 -0.000000 0.000000 
1 1 1   78    2    0 o   2.6370   0.9467   2.8590   1.4360   2.4150   1.2340 0.4445000 1.893000 
1 1 1   78    2    1 o   3.7030   1.0490   4.0430   1.5350   3.3640   1.4300 0.6797000 2.098000 
1 1 1   78    2    2 o   2.1790   0.7623   2.2700   1.1150   2.0880   1.0400 0.1820000 1.525000 
1 1 1   78    2    3 o   2.8780   0.9425   3.0230   1.3730   2.7340   1.2920 0.2887000 1.885000 
1 1 1   78    2    4 o   2.5460   0.8934   2.6550   1.3190   2.4360   1.2060 0.2194000 1.787000 
1 1 1   78    4    0 o   3.0380   0.9893   3.1140   1.4280   2.9620   1.3690 0.1520000 1.979000 
1 1 1   78    4    1 o   3.3620   1.0490   2.7610   1.2660   3.9630   1.6740 -1.202000 2.099000 
1 1 1   78    4    2 o   2.6390   0.9169   2.3020   1.1580   2.9770   1.4220 -0.6753000 1.834000 
1 1 1   78    4    3 o   2.1900   0.7799   2.2170   1.1010   2.1640   1.1050 0.5227000E-01 1.560000 
1 1 1   78    4    4 o   1.0230   0.3777   1.0100   0.5276   1.0360   0.5407 -0.2524000E-01 0.7555000 
1 1 1   78    6    0 o   2.1930   0.7578   2.5350   1.1940   1.8520   0.9339 0.6829000 1.516000 
1 1 1   78    6    1 o   2.1830   0.7493   1.8190   0.9163   2.5480   1.1860 -0.7289000 1.499000 
1 1 1   78    6    2 f   2.3330   0.7999   2.3610   1.1440   2.3040   1.1190 0.5742000E-01 1.600000 
1 1 1   78    8    0 o   2.7050   1.3800  ?   ?    2.7050   1.3800      ?      ? 
1 1 1   79    1    0 o   2.8130   0.9603   2.4710   1.2290   3.1560   1.4760 -0.6840000 1.921000 
1 1 1   79    1    1 o   3.9290   1.0590   3.0980   1.4230   4.7600   1.5690 -1.662000 2.118000 
1 1 1   79    1    2 o   2.7350   0.9059   3.0290   1.3720   2.4410   1.1830 0.5884000 1.812000 
1 1 1   79    1    3 o   1.6260   0.5984   1.6510   0.8590   1.6000   0.8333 0.5121000E-01 1.197000 
1 1 1   79    3    0 o   2.2560   0.8098   2.1920   1.0990   2.3210   1.1890 -0.1290000 1.620000 
1 1 1   79    3    1 o   1.9840   0.7126   2.0130   1.0180   1.9550   0.9978 0.5724000E-01 1.425000 
1 1 1   79    3    2 o   2.7110   0.9270   2.7720   1.3550   2.6490   1.2650 0.1239000 1.854000 
1 1 1   79    5    0 o   2.2520   0.7809   2.0300   1.0160   2.4750   1.1860 -0.4451000 1.562000 
1 1 1   79    5    1 o   1.9520   1.0020  ?   ?    1.9520   1.0020      ?      ? 
1 1 1   80    0    0 o   2.1250   1.4780   2.1250   1.4780   2.1250   1.4780 0.000000 0.000000 
#END OF REFLECTIONS
