data_r4xaisf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-03-04 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4xai 
_cell.length_a      64.7820 
_cell.length_b      84.0980 
_cell.length_c      262.4370 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_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   1.07820 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.529 
_diffrn_reflns.pdbx_d_res_low    37.898 
_diffrn_reflns.limit_h_max       25 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       33 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       101 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            46927 
_diffrn_reflns.pdbx_number_obs   46927 
# 
_entry.id   4xai 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4xai 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X+1/2,  -Y,  Z+1/2" 
3 "X+1/2,  -Y+1/2,  -Z" 
4 "-X,  Y+1/2,  -Z+1/2" 
# 
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_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  1  9   o 92.120  2.5390 -0.000000      0.000000  
1 1 1 0  1  10  o 27.080  0.7628 0.000000       0.000000  
1 1 1 0  1  11  o 13.930  0.6481 0.000000       0.000000  
1 1 1 0  1  12  o 26.260  1.0580 -0.000000      0.000000  
1 1 1 0  1  13  o 92.910  3.6480 -0.000000      0.000000  
1 1 1 0  2  3   o 0.7797  0.4962 0.000000       0.000000  
1 1 1 0  2  4   f 0.5802  0.4095 -0.000000      0.000000  
1 1 1 0  2  7   o 17.290  0.5069 0.000000       0.000000  
1 1 1 0  2  8   o 21.270  0.6101 -0.000000      0.000000  
1 1 1 0  2  9   o 48.370  1.3360 -0.000000      0.000000  
1 1 1 0  2  10  o 10.930  0.4223 -0.000000      0.000000  
1 1 1 0  2  11  o 87.870  2.4210 0.000000       0.000000  
1 1 1 0  2  12  o 48.110  1.3310 0.000000       0.000000  
1 1 1 0  2  13  f 7.2840  0.5477 0.000000       0.000000  
1 1 1 0  2  14  o 60.020  1.6580 0.000000       0.000000  
1 1 1 0  2  15  o 79.290  2.1870 -0.000000      0.000000  
1 1 1 0  2  16  f 76.780  2.1180 0.000000       0.000000  
1 1 1 0  2  17  o 57.850  1.6020 0.000000       0.000000  
1 1 1 0  2  18  f 100.400 2.7690 0.000000       0.000000  
1 1 1 0  2  19  o 6.6650  0.8018 0.000000       0.000000  
1 1 1 0  2  20  o 39.820  1.5920 0.000000       0.000000  
1 1 1 0  2  21  o 83.710  3.2880 -0.000000      0.000000  
1 1 1 0  2  22  o 10.810  0.9132 -0.000000      0.000000  
1 1 1 0  2  23  o 42.970  1.7170 0.000000       0.000000  
1 1 1 0  2  24  o 66.610  2.6210 0.000000       0.000000  
1 1 1 0  2  25  o 16.460  0.9454 0.000000       0.000000  
1 1 1 0  2  26  o 123.900 4.8870 -0.000000      0.000000  
1 1 1 0  2  27  o 44.760  1.7960 0.000000       0.000000  
1 1 1 0  2  28  o 14.510  0.9442 0.000000       0.000000  
1 1 1 0  2  29  o 4.6520  2.0770 -0.000000      0.000000  
1 1 1 0  2  30  f 34.760  1.4380 -0.000000      0.000000  
1 1 1 0  2  31  o 62.590  2.4820 -0.000000      0.000000  
1 1 1 0  2  32  o 71.600  2.8340 -0.000000      0.000000  
1 1 1 0  2  89  o 4.4640  3.1270 -0.000000      0.000000  
1 1 1 0  2  90  o 4.1310  2.9520 0.000000       0.000000  
1 1 1 0  2  91  o 5.9160  3.8960 -0.000000      0.000000  
1 1 1 0  2  92  o 5.2650  3.6030 0.000000       0.000000  
1 1 1 0  2  93  o 4.2690  3.0240 -0.000000      0.000000  
1 1 1 0  2  94  o 4.4840  3.1270 0.000000       0.000000  
1 1 1 0  2  95  o 3.8510  2.7360 -0.000000      0.000000  
1 1 1 0  2  96  o 5.4210  3.5160 -0.000000      0.000000  
1 1 1 0  2  97  o 4.4360  3.0700 0.000000       0.000000  
1 1 1 0  2  98  o 3.5430  2.5630 0.000000       0.000000  
1 1 1 0  2  99  o 3.7590  2.6730 -0.000000      0.000000  
1 1 1 0  2  100 o 4.5600  3.1110 -0.000000      0.000000  
1 1 1 0  2  101 o 2.9400  2.1110 -0.000000      0.000000  
1 1 1 0  3  1   o 110.900 2.4980 0.000000       0.000000  
1 1 1 0  3  2   o 32.060  0.6254 0.000000       0.000000  
1 1 1 0  3  3   o 68.710  1.3330 0.000000       0.000000  
1 1 1 0  3  4   o 56.950  1.1070 -0.000000      0.000000  
1 1 1 0  3  5   o 41.700  0.8121 -0.000000      0.000000  
1 1 1 0  3  6   o 102.700 1.9950 -0.000000      0.000000  
1 1 1 0  3  7   o 12.030  0.3207 0.000000       0.000000  
1 1 1 0  3  8   o 45.470  1.2560 0.000000       0.000000  
1 1 1 0  3  9   o 99.770  2.7500 0.000000       0.000000  
1 1 1 0  3  10  o 42.570  1.1810 -0.000000      0.000000  
1 1 1 0  3  11  o 53.550  1.4800 -0.000000      0.000000  
1 1 1 0  3  12  o 120.400 3.3260 -0.000000      0.000000  
1 1 1 0  3  13  o 18.290  0.5704 -0.000000      0.000000  
1 1 1 0  3  14  o 35.770  1.0030 0.000000       0.000000  
1 1 1 0  3  15  o 38.670  1.0820 -0.000000      0.000000  
1 1 1 0  3  16  o 46.210  1.2860 -0.000000      0.000000  
1 1 1 0  3  17  o 14.300  0.5473 0.000000       0.000000  
1 1 1 0  3  18  o 30.720  0.8819 0.000000       0.000000  
1 1 1 0  3  19  o 12.800  0.5721 -0.000000      0.000000  
1 1 1 0  3  20  o 10.620  0.6066 0.000000       0.000000  
1 1 1 0  3  21  o 17.990  0.6249 0.000000       0.000000  
1 1 1 0  3  22  o 28.000  0.8294 -0.000000      0.000000  
1 1 1 0  3  23  o 20.190  0.6775 0.000000       0.000000  
1 1 1 0  3  24  o 72.250  1.9990 -0.000000      0.000000  
1 1 1 0  3  25  f 25.820  0.7972 -0.000000      0.000000  
1 1 1 0  3  26  o 8.2810  0.8837 -0.000000      0.000000  
1 1 1 0  3  27  o 14.980  0.6806 0.000000       0.000000  
1 1 1 0  3  28  o 12.690  0.6935 0.000000       0.000000  
1 1 1 0  3  29  o 32.240  1.3560 0.000000       0.000000  
1 1 1 0  3  30  o 8.1430  1.5010 -0.000000      0.000000  
1 1 1 0  3  31  o 33.780  1.4170 -0.000000      0.000000  
1 1 1 0  3  32  o 3.3760  2.0030 -0.000000      0.000000  
1 1 1 0  3  33  o 31.480  1.3480 -0.000000      0.000000  
1 1 1 0  3  34  o 57.230  2.2910 -0.000000      0.000000  
1 1 1 0  3  35  o 4.6220  2.3450 -0.000000      0.000000  
1 1 1 0  3  36  o 2.9120  1.8740 0.000000       0.000000  
1 1 1 0  3  37  f 22.320  1.1700 -0.000000      0.000000  
1 1 1 0  3  38  o 33.800  1.4530 0.000000       0.000000  
1 1 1 0  3  39  f 41.020  1.7090 -0.000000      0.000000  
1 1 1 0  3  40  o 44.200  1.8310 -0.000000      0.000000  
1 1 1 0  3  41  o 28.840  1.3300 0.000000       0.000000  
1 1 1 0  3  42  o 3.7000  2.2910 0.000000       0.000000  
1 1 1 0  3  43  o 27.380  1.3430 0.000000       0.000000  
1 1 1 0  3  44  o 12.650  1.5960 -0.000000      0.000000  
1 1 1 0  3  45  o 46.880  1.9470 0.000000       0.000000  
1 1 1 0  3  46  o 19.980  1.3630 0.000000       0.000000  
1 1 1 0  3  47  o 23.750  1.3230 -0.000000      0.000000  
1 1 1 0  3  48  o 21.410  1.3550 0.000000       0.000000  
1 1 1 0  3  49  o 16.840  1.5350 0.000000       0.000000  
1 1 1 0  3  50  o 30.730  1.5110 -0.000000      0.000000  
1 1 1 0  3  51  o 18.350  1.6050 -0.000000      0.000000  
1 1 1 0  3  52  f 7.3900  3.2400 0.000000       0.000000  
1 1 1 0  3  53  o 34.950  1.6300 0.000000       0.000000  
1 1 1 0  3  54  o 52.180  2.1800 0.000000       0.000000  
1 1 1 0  3  55  o 49.830  2.1010 0.000000       0.000000  
1 1 1 0  3  56  o 21.520  1.5690 -0.000000      0.000000  
1 1 1 0  3  57  o 3.6480  2.4810 -0.000000      0.000000  
1 1 1 0  3  58  f 6.8190  3.4160 -0.000000      0.000000  
1 1 1 0  3  59  o 41.970  1.8920 0.000000       0.000000  
1 1 1 0  3  60  o 16.280  2.1670 -0.000000      0.000000  
1 1 1 0  3  61  o 42.650  1.9290 -0.000000      0.000000  
1 1 1 0  3  62  o 36.750  1.8060 0.000000       0.000000  
1 1 1 0  3  63  o 22.130  1.8550 0.000000       0.000000  
1 1 1 0  3  64  o 6.8310  3.6270 -0.000000      0.000000  
1 1 1 0  3  65  o 4.5800  2.9960 -0.000000      0.000000  
1 1 1 0  3  66  o 10.300  3.8970 -0.000000      0.000000  
1 1 1 0  3  67  o 34.950  1.8840 -0.000000      0.000000  
1 1 1 0  3  68  o 25.760  1.9590 -0.000000      0.000000  
1 1 1 0  3  69  o 17.230  2.7060 -0.000000      0.000000  
1 1 1 0  3  70  f 5.5510  3.5150 0.000000       0.000000  
1 1 1 0  3  71  o 26.350  2.0880 0.000000       0.000000  
1 1 1 0  3  72  f 8.1570  4.1800 0.000000       0.000000  
1 1 1 0  3  73  o 10.630  4.4280 -0.000000      0.000000  
1 1 1 0  3  74  o 8.1110  4.3730 -0.000000      0.000000  
1 1 1 0  3  75  o 25.260  2.4370 -0.000000      0.000000  
1 1 1 0  3  76  o 9.7960  4.6220 0.000000       0.000000  
1 1 1 0  3  77  o 10.400  4.5620 0.000000       0.000000  
1 1 1 0  3  78  f 5.3850  3.5580 -0.000000      0.000000  
1 1 1 0  3  79  o 5.5250  3.6480 0.000000       0.000000  
1 1 1 0  3  80  o 5.8420  3.7790 0.000000       0.000000  
1 1 1 0  3  81  o 21.130  2.9700 -0.000000      0.000000  
1 1 1 0  3  82  o 8.5120  4.7360 0.000000       0.000000  
1 1 1 0  3  83  o 6.4820  4.1550 -0.000000      0.000000  
1 1 1 0  3  84  o 5.6260  3.8070 -0.000000      0.000000  
1 1 1 0  3  85  o 7.8260  4.6740 0.000000       0.000000  
1 1 1 0  3  86  o 5.3490  3.6520 -0.000000      0.000000  
1 1 1 0  3  87  o 9.0260  4.8960 -0.000000      0.000000  
1 1 1 0  3  88  o 6.1240  4.0070 -0.000000      0.000000  
1 1 1 0  3  89  o 4.5010  3.1680 0.000000       0.000000  
1 1 1 0  3  90  o 4.6720  3.2750 0.000000       0.000000  
1 1 1 0  3  91  o 4.8620  3.3900 0.000000       0.000000  
1 1 1 0  3  92  o 6.0090  3.9860 0.000000       0.000000  
1 1 1 0  3  93  o 3.8190  2.7640 -0.000000      0.000000  
1 1 1 0  3  94  o 5.3150  3.5690 0.000000       0.000000  
1 1 1 0  3  95  o 5.8130  3.7780 -0.000000      0.000000  
1 1 1 0  3  96  o 4.5280  3.0930 -0.000000      0.000000  
1 1 1 0  3  97  o 3.6810  2.6420 -0.000000      0.000000  
1 1 1 0  3  98  o 5.0850  3.3660 -0.000000      0.000000  
1 1 1 0  3  99  o 3.8060  2.7030 -0.000000      0.000000  
1 1 1 0  3  100 o 6.0900  3.7450 0.000000       0.000000  
1 1 1 0  3  101 o 2.9990  2.1440 0.000000       0.000000  
1 1 1 0  4  0   o 108.600 2.9940 0.000000       0.000000  
1 1 1 0  4  1   o 34.670  0.6772 -0.000000      0.000000  
1 1 1 0  4  2   f 90.810  1.7620 -0.000000      0.000000  
1 1 1 0  4  3   o 42.210  0.8217 0.000000       0.000000  
1 1 1 0  4  4   o 39.660  0.7741 -0.000000      0.000000  
1 1 1 0  4  6   o 29.690  0.5883 -0.000000      0.000000  
1 1 1 0  4  7   o 46.110  0.8980 0.000000       0.000000  
1 1 1 0  4  8   o 85.590  1.6610 -0.000000      0.000000  
1 1 1 0  4  9   o 8.5110  0.3352 -0.000000      0.000000  
1 1 1 0  4  10  o 18.910  0.5737 0.000000       0.000000  
1 1 1 0  4  11  f 51.470  1.4240 0.000000       0.000000  
1 1 1 0  4  12  o 19.660  0.5983 0.000000       0.000000  
1 1 1 0  4  13  o 43.710  1.2160 0.000000       0.000000  
1 1 1 0  4  14  f 37.890  1.0640 -0.000000      0.000000  
1 1 1 0  4  15  o 72.950  2.0130 -0.000000      0.000000  
1 1 1 0  4  16  f 83.610  2.3060 0.000000       0.000000  
1 1 1 0  4  17  o 64.290  1.7780 -0.000000      0.000000  
1 1 1 0  4  18  o 76.980  2.1250 -0.000000      0.000000  
1 1 1 0  4  19  o 19.890  0.6613 -0.000000      0.000000  
1 1 1 0  4  20  o 85.060  2.3460 0.000000       0.000000  
1 1 1 0  4  21  o 49.320  1.3770 0.000000       0.000000  
1 1 1 0  4  22  o 22.240  0.7152 -0.000000      0.000000  
1 1 1 0  4  23  o 153.400 4.2430 0.000000       0.000000  
1 1 1 0  4  24  o 44.330  1.2500 -0.000000      0.000000  
1 1 1 0  4  25  o 29.710  0.8847 -0.000000      0.000000  
1 1 1 0  4  26  o 53.620  1.4990 0.000000       0.000000  
1 1 1 0  4  27  o 11.680  0.7672 -0.000000      0.000000  
1 1 1 0  4  28  o 14.920  0.7100 -0.000000      0.000000  
1 1 1 0  4  29  o 95.900  2.6550 0.000000       0.000000  
1 1 1 0  4  30  o 8.3940  1.1380 0.000000       0.000000  
1 1 1 0  4  31  o 74.020  2.0590 0.000000       0.000000  
1 1 1 0  4  32  o 23.990  0.8070 0.000000       0.000000  
1 1 1 0  4  33  o 11.850  0.8716 0.000000       0.000000  
1 1 1 0  4  34  o 79.280  2.2060 0.000000       0.000000  
1 1 1 0  4  35  o 17.470  0.7880 0.000000       0.000000  
1 1 1 0  4  36  o 85.040  3.4010 -0.000000      0.000000  
1 1 1 0  4  37  o 11.650  1.4660 -0.000000      0.000000  
1 1 1 0  4  38  o 3.3980  2.0660 -0.000000      0.000000  
1 1 1 0  4  39  o 10.070  1.7690 -0.000000      0.000000  
1 1 1 0  4  40  o 54.750  2.2170 -0.000000      0.000000  
1 1 1 0  4  41  o 8.8720  2.1520 -0.000000      0.000000  
1 1 1 0  4  42  o 5.8170  2.6800 0.000000       0.000000  
1 1 1 0  4  43  f 44.000  1.8340 0.000000       0.000000  
1 1 1 0  4  44  o 31.760  1.4790 -0.000000      0.000000  
1 1 1 0  4  45  o 35.810  1.5730 -0.000000      0.000000  
1 1 1 0  4  46  o 7.2040  2.6940 0.000000       0.000000  
1 1 1 0  4  47  f 5.3900  2.8220 -0.000000      0.000000  
1 1 1 0  4  48  o 39.600  1.7080 -0.000000      0.000000  
1 1 1 0  4  49  o 10.490  2.3070 0.000000       0.000000  
1 1 1 0  4  50  o 3.9490  2.5360 0.000000       0.000000  
1 1 1 0  4  51  o 42.100  1.8260 -0.000000      0.000000  
1 1 1 0  4  52  o 20.260  1.5230 -0.000000      0.000000  
1 1 1 0  4  53  f 21.560  1.6150 0.000000       0.000000  
1 1 1 0  4  54  o 4.9160  2.9570 -0.000000      0.000000  
1 1 1 0  4  55  o 4.3520  2.7850 -0.000000      0.000000  
1 1 1 0  4  56  o 19.290  1.7110 -0.000000      0.000000  
1 1 1 0  4  57  o 27.820  1.5800 0.000000       0.000000  
1 1 1 0  4  58  o 8.7100  3.5810 0.000000       0.000000  
1 1 1 0  4  59  o 6.7620  3.4950 -0.000000      0.000000  
1 1 1 0  4  60  o 4.9410  3.0840 0.000000       0.000000  
1 1 1 0  4  61  o 20.820  1.8630 0.000000       0.000000  
1 1 1 0  4  62  o 14.910  2.3960 0.000000       0.000000  
1 1 1 0  4  63  o 28.440  1.7190 0.000000       0.000000  
1 1 1 0  4  64  o 23.420  1.8160 -0.000000      0.000000  
1 1 1 0  4  65  o 11.040  3.4960 -0.000000      0.000000  
1 1 1 0  4  66  o 20.050  2.0190 0.000000       0.000000  
1 1 1 0  4  67  o 6.4070  3.7040 0.000000       0.000000  
1 1 1 0  4  68  o 8.5610  4.0760 0.000000       0.000000  
1 1 1 0  4  69  o 4.8350  3.1980 0.000000       0.000000  
1 1 1 0  4  70  o 7.5990  4.0590 -0.000000      0.000000  
1 1 1 0  4  71  o 5.6920  3.5890 0.000000       0.000000  
1 1 1 0  4  72  o 29.600  2.0900 -0.000000      0.000000  
1 1 1 0  4  73  o 15.290  3.8960 -0.000000      0.000000  
1 1 1 0  4  74  o 20.210  2.9440 -0.000000      0.000000  
1 1 1 0  4  75  o 5.7370  3.7050 0.000000       0.000000  
1 1 1 0  4  76  o 8.9880  4.6250 -0.000000      0.000000  
1 1 1 0  4  77  f 5.5710  3.6930 0.000000       0.000000  
1 1 1 0  4  78  o 8.4190  4.6110 0.000000       0.000000  
1 1 1 0  4  79  f 19.380  3.4290 0.000000       0.000000  
1 1 1 0  4  80  o 5.3770  3.6150 -0.000000      0.000000  
1 1 1 0  4  81  o 6.9040  4.2520 -0.000000      0.000000  
1 1 1 0  4  82  o 18.340  3.8580 -0.000000      0.000000  
1 1 1 0  4  83  f 5.8990  3.9090 -0.000000      0.000000  
1 1 1 0  4  84  o 7.1950  4.4420 -0.000000      0.000000  
1 1 1 0  4  85  o 4.9330  3.4430 0.000000       0.000000  
1 1 1 0  4  86  o 4.9630  3.4020 -0.000000      0.000000  
1 1 1 0  4  87  o 5.7810  3.7940 -0.000000      0.000000  
1 1 1 0  4  88  o 5.8060  3.8020 -0.000000      0.000000  
1 1 1 0  4  89  o 6.0830  3.9520 0.000000       0.000000  
1 1 1 0  4  90  o 4.3660  3.1040 0.000000       0.000000  
1 1 1 0  4  91  o 4.3700  3.1090 0.000000       0.000000  
1 1 1 0  4  92  o 4.0590  2.9000 0.000000       0.000000  
1 1 1 0  4  93  o 6.2290  3.9760 0.000000       0.000000  
1 1 1 0  4  94  o 5.5860  3.6900 0.000000       0.000000  
1 1 1 0  4  95  o 5.4800  3.6140 0.000000       0.000000  
1 1 1 0  4  96  o 6.2150  3.9080 0.000000       0.000000  
1 1 1 0  4  97  o 6.1510  3.8910 0.000000       0.000000  
1 1 1 0  4  98  o 3.0460  2.2430 -0.000000      0.000000  
1 1 1 0  4  99  f 2.6650  1.9710 -0.000000      0.000000  
1 1 1 0  4  100 o 4.7390  3.1100 0.000000       0.000000  
1 1 1 0  4  101 o 3.9090  2.5780 0.000000       0.000000  
1 1 1 0  5  1   o 110.200 2.1380 0.000000       0.000000  
1 1 1 0  5  2   o 42.720  0.8323 0.000000       0.000000  
1 1 1 0  5  3   o 66.260  1.2870 -0.000000      0.000000  
1 1 1 0  5  4   o 25.980  0.5159 -0.000000      0.000000  
1 1 1 0  5  5   f 13.900  0.3137 -0.000000      0.000000  
1 1 1 0  5  6   o 70.310  1.3670 -0.000000      0.000000  
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1 1 1 0  29 30  o 5.7150  2.0950 0.000000       0.000000  
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1 1 1 0  29 32  o 2.3220  1.5600 0.000000       0.000000  
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1 1 1 0  29 34  o 11.330  1.0880 -0.000000      0.000000  
1 1 1 0  29 35  o 7.4250  1.7540 -0.000000      0.000000  
1 1 1 0  29 36  f 4.9430  2.1270 0.000000       0.000000  
1 1 1 0  29 37  o 6.3960  1.9180 0.000000       0.000000  
1 1 1 0  29 38  f 4.0410  2.0580 0.000000       0.000000  
1 1 1 0  29 39  f 1.7840  1.2820 0.000000       0.000000  
1 1 1 0  29 40  o 3.7040  2.0420 -0.000000      0.000000  
1 1 1 0  29 41  o 5.5470  2.0660 0.000000       0.000000  
1 1 1 0  29 42  o 2.9540  1.8260 -0.000000      0.000000  
1 1 1 0  29 43  o 2.6450  1.7900 -0.000000      0.000000  
1 1 1 0  29 44  o 6.4060  2.4330 -0.000000      0.000000  
1 1 1 0  29 45  o 2.8370  1.8900 -0.000000      0.000000  
1 1 1 0  29 46  o 2.6510  1.8020 0.000000       0.000000  
1 1 1 0  29 47  o 3.8630  2.2750 -0.000000      0.000000  
1 1 1 0  29 48  o 7.6810  2.2500 0.000000       0.000000  
1 1 1 0  29 49  f 3.2820  2.0560 -0.000000      0.000000  
1 1 1 0  29 50  o 2.8590  2.0640 -0.000000      0.000000  
1 1 1 0  30 0   o 10.350  1.5210 0.000000       0.000000  
1 1 1 0  30 1   o 12.060  0.9141 -0.000000      0.000000  
1 1 1 0  30 2   o 7.9150  1.5150 -0.000000      0.000000  
1 1 1 0  30 3   o 4.1710  2.0590 -0.000000      0.000000  
1 1 1 0  30 4   o 2.7590  1.7360 0.000000       0.000000  
1 1 1 0  30 5   o 5.1570  2.0310 0.000000       0.000000  
1 1 1 0  30 6   o 4.3040  2.0470 -0.000000      0.000000  
1 1 1 0  30 7   o 3.4890  1.9320 0.000000       0.000000  
1 1 1 0  30 8   o 3.3040  1.8820 0.000000       0.000000  
1 1 1 0  30 9   o 4.3800  2.0100 0.000000       0.000000  
1 1 1 0  30 10  o 3.5470  1.9550 0.000000       0.000000  
1 1 1 0  30 11  o 4.7280  2.0560 0.000000       0.000000  
1 1 1 0  30 12  o 2.7500  1.7190 -0.000000      0.000000  
1 1 1 0  30 13  o 2.9320  1.7880 -0.000000      0.000000  
1 1 1 0  30 14  o 3.7520  2.0080 0.000000       0.000000  
1 1 1 0  30 15  o 5.7490  2.0190 -0.000000      0.000000  
1 1 1 0  30 16  o 5.8420  1.9690 0.000000       0.000000  
1 1 1 0  30 17  o 9.5420  1.1400 -0.000000      0.000000  
1 1 1 0  30 18  o 2.8330  1.7680 -0.000000      0.000000  
1 1 1 0  30 19  o 3.4100  1.9640 -0.000000      0.000000  
1 1 1 0  30 20  o 3.7310  2.0090 -0.000000      0.000000  
1 1 1 0  30 21  o 7.4210  1.6170 -0.000000      0.000000  
1 1 1 0  30 22  f 2.7580  1.7420 -0.000000      0.000000  
1 1 1 0  30 23  o 2.9820  1.8450 0.000000       0.000000  
1 1 1 0  30 24  f 11.720  1.0410 0.000000       0.000000  
1 1 1 0  30 25  o 22.290  0.7335 -0.000000      0.000000  
1 1 1 0  30 26  o 11.300  1.3430 -0.000000      0.000000  
1 1 1 0  30 27  o 6.1530  1.9770 -0.000000      0.000000  
1 1 1 0  30 28  o 2.4600  1.6440 -0.000000      0.000000  
1 1 1 0  30 29  o 4.5040  2.1210 -0.000000      0.000000  
1 1 1 0  30 30  o 11.210  1.0510 0.000000       0.000000  
1 1 1 0  30 31  o 3.3650  1.9530 -0.000000      0.000000  
1 1 1 0  30 32  o 3.5700  2.0240 -0.000000      0.000000  
1 1 1 0  30 33  o 3.2650  1.9580 0.000000       0.000000  
1 1 1 0  30 34  o 2.1080  1.4600 -0.000000      0.000000  
1 1 1 0  30 35  o 4.4950  2.1190 -0.000000      0.000000  
1 1 1 0  30 36  o 9.3620  1.2760 -0.000000      0.000000  
1 1 1 0  30 37  o 3.2180  1.9410 0.000000       0.000000  
1 1 1 0  30 38  f 1.9480  1.3810 -0.000000      0.000000  
1 1 1 0  30 39  o 2.7910  1.7680 -0.000000      0.000000  
1 1 1 0  30 40  o 8.0040  1.5580 0.000000       0.000000  
1 1 1 0  30 41  o 5.4510  2.1050 0.000000       0.000000  
1 1 1 0  30 42  o 2.6270  1.7090 0.000000       0.000000  
1 1 1 0  30 43  o 12.100  1.6520 -0.000000      0.000000  
1 1 1 0  30 44  o 2.6730  1.9440 -0.000000      0.000000  
1 1 1 0  31 1   o 4.2800  2.0330 0.000000       0.000000  
1 1 1 0  31 2   o 2.4560  1.6100 0.000000       0.000000  
1 1 1 0  31 3   o 2.7630  1.7450 0.000000       0.000000  
1 1 1 0  31 4   o 5.3590  2.0330 -0.000000      0.000000  
1 1 1 0  31 5   o 4.4480  2.0580 -0.000000      0.000000  
1 1 1 0  31 6   o 3.2530  1.8790 -0.000000      0.000000  
1 1 1 0  31 7   o 4.9030  2.0420 -0.000000      0.000000  
1 1 1 0  31 8   o 5.8070  1.9680 0.000000       0.000000  
1 1 1 0  31 9   o 12.000  0.9539 0.000000       0.000000  
1 1 1 0  31 10  o 13.950  0.8401 -0.000000      0.000000  
1 1 1 0  31 11  o 9.8500  1.1230 -0.000000      0.000000  
1 1 1 0  31 12  o 4.3100  2.0620 0.000000       0.000000  
1 1 1 0  31 13  o 4.9420  2.0940 -0.000000      0.000000  
1 1 1 0  31 14  o 7.4960  1.6520 0.000000       0.000000  
1 1 1 0  31 15  o 5.2930  2.0760 0.000000       0.000000  
1 1 1 0  31 16  o 12.720  0.9066 0.000000       0.000000  
1 1 1 0  31 17  o 9.2590  1.2140 0.000000       0.000000  
1 1 1 0  31 18  o 5.5900  2.0520 -0.000000      0.000000  
1 1 1 0  31 19  o 3.1860  1.9180 0.000000       0.000000  
1 1 1 0  31 20  o 2.0240  1.4150 -0.000000      0.000000  
1 1 1 0  31 21  o 2.5390  1.6650 -0.000000      0.000000  
1 1 1 0  31 22  o 2.7720  1.7540 0.000000       0.000000  
1 1 1 0  31 23  o 3.0630  1.8640 -0.000000      0.000000  
1 1 1 0  31 24  o 12.250  1.0230 -0.000000      0.000000  
1 1 1 0  31 25  o 5.1150  2.1780 -0.000000      0.000000  
1 1 1 0  31 26  o 2.0480  1.4320 0.000000       0.000000  
1 1 1 0  31 27  o 5.1900  2.1450 -0.000000      0.000000  
1 1 1 0  31 28  o 6.8480  1.8680 -0.000000      0.000000  
1 1 1 0  31 29  o 4.0000  2.1170 -0.000000      0.000000  
1 1 1 0  31 30  o 9.0520  1.4360 -0.000000      0.000000  
1 1 1 0  31 31  o 9.3070  1.2800 0.000000       0.000000  
1 1 1 0  31 32  o 2.5970  1.6910 -0.000000      0.000000  
1 1 1 0  31 33  o 3.0260  1.8550 -0.000000      0.000000  
1 1 1 0  31 34  o 2.2390  1.5370 -0.000000      0.000000  
1 1 1 0  31 35  o 5.8380  2.7930 0.000000       0.000000  
1 1 1 0  31 36  o 3.5860  2.2870 0.000000       0.000000  
1 1 1 0  31 37  o 2.6330  1.9200 -0.000000      0.000000  
1 1 1 0  32 0   o 4.1470  2.3360 -0.000000      0.000000  
1 1 1 0  32 1   o 3.6370  1.9920 -0.000000      0.000000  
1 1 1 0  32 2   o 8.5670  1.3210 0.000000       0.000000  
1 1 1 0  32 3   o 5.0720  2.0480 0.000000       0.000000  
1 1 1 0  32 4   o 4.1350  2.0380 -0.000000      0.000000  
1 1 1 0  32 5   o 3.7400  2.0090 0.000000       0.000000  
1 1 1 0  32 6   o 2.5490  1.6620 -0.000000      0.000000  
1 1 1 0  32 7   o 3.5800  1.9550 0.000000       0.000000  
1 1 1 0  32 8   o 2.6220  1.6830 0.000000       0.000000  
1 1 1 0  32 9   o 2.2530  1.5260 -0.000000      0.000000  
1 1 1 0  32 10  f 2.6830  1.7140 0.000000       0.000000  
1 1 1 0  32 11  o 5.3680  2.0730 0.000000       0.000000  
1 1 1 0  32 12  o 3.1490  1.8940 0.000000       0.000000  
1 1 1 0  32 13  o 3.2720  1.9310 -0.000000      0.000000  
1 1 1 0  32 14  o 3.1080  1.8630 -0.000000      0.000000  
1 1 1 0  32 15  o 3.1150  1.8660 -0.000000      0.000000  
1 1 1 0  32 16  o 4.2770  2.0850 0.000000       0.000000  
1 1 1 0  32 17  o 3.3010  1.9260 0.000000       0.000000  
1 1 1 0  32 18  o 3.4020  1.9710 -0.000000      0.000000  
1 1 1 0  32 19  o 2.8600  1.8110 -0.000000      0.000000  
1 1 1 0  32 20  f 2.2720  1.5430 0.000000       0.000000  
1 1 1 0  32 21  o 2.4390  1.6200 -0.000000      0.000000  
1 1 1 0  32 22  o 3.1570  1.9000 0.000000       0.000000  
1 1 1 0  32 23  o 2.3840  1.5980 -0.000000      0.000000  
1 1 1 0  32 24  o 2.9350  1.8300 0.000000       0.000000  
1 1 1 0  32 25  o 4.8170  2.3770 0.000000       0.000000  
1 1 1 0  32 26  o 2.8350  2.0380 0.000000       0.000000  
1 1 1 0  33 1   o 3.5420  2.1670 0.000000       0.000000  
1 1 1 0  33 2   o 5.3400  2.4350 0.000000       0.000000  
1 1 1 0  33 3   o 2.2870  1.5960 -0.000000      0.000000  
1 1 1 0  33 4   o 2.3980  1.6590 0.000000       0.000000  
1 1 1 0  33 5   o 3.0440  1.9560 0.000000       0.000000  
1 1 1 0  33 6   o 2.5680  1.8130 -0.000000      0.000000  
1 1 1 0  33 7   o 2.5550  1.8100 0.000000       0.000000  
1 1 1 1  1  8   o 63.550  1.5380 -87.48000      3.077000  
1 1 1 1  1  9   o 73.480  2.0390 -1.662000      4.078000  
1 1 1 1  1  10  o 71.180  1.9750 3.257000       3.951000  
1 1 1 1  1  11  o 82.490  2.2930 3.834000       4.587000  
1 1 1 1  1  12  o 43.130  1.1970 -0.7706000     2.395000  
1 1 1 1  1  13  o 57.630  1.5960 -0.3337000     3.193000  
1 1 1 1  1  14  o 49.300  1.9340 ?              ?         
1 1 1 1  1  15  o 82.790  3.2570 ?              ?         
1 1 1 1  1  16  o 66.800  2.6230 ?              ?         
1 1 1 1  1  17  o 56.100  2.2030 ?              ?         
1 1 1 1  1  18  o 53.320  2.0930 ?              ?         
1 1 1 1  2  0   o 1.0130  0.5413 -0.000000      0.000000  
1 1 1 1  2  1   o 1.0300  0.3040 -0.1946000     0.6080000 
1 1 1 1  2  2   o 1.0320  0.3058 0.1811000      0.6115000 
1 1 1 1  2  3   o 1.1850  0.3344 -0.2423000E-01 0.6688000 
1 1 1 1  2  4   o 1.3000  0.4727 ?              ?         
1 1 1 1  2  5   o 85.390  2.3560 ?              ?         
1 1 1 1  2  6   o 35.220  0.9789 ?              ?         
1 1 1 1  2  7   o 84.970  1.6610 -1.822000      3.321000  
1 1 1 1  2  8   f 53.390  1.0420 0.2927000      2.083000  
1 1 1 1  2  9   o 43.360  0.8469 -0.2941000     1.694000  
1 1 1 1  2  10  o 21.370  0.4359 0.1053000      0.8717000 
1 1 1 1  2  11  o 48.270  0.9423 -0.1324000     1.885000  
1 1 1 1  2  12  o 38.340  0.7534 0.7080000E-01  1.507000  
1 1 1 1  2  13  o 6.4810  0.4085 -0.1821000     0.8170000 
1 1 1 1  2  14  o 29.010  0.5816 0.1621000      1.163000  
1 1 1 1  2  15  o 27.050  0.5496 0.8458000      1.099000  
1 1 1 1  2  16  o 74.650  1.4570 -0.6440000     2.915000  
1 1 1 1  2  17  o 34.910  0.8526 0.5759000E-01  1.705000  
1 1 1 1  2  18  o 40.150  0.9732 -0.3714000E-01 1.946000  
1 1 1 1  2  19  o 27.020  0.6805 -0.3597000     1.361000  
1 1 1 1  2  20  o 125.600 3.0330 -0.8789000     6.066000  
1 1 1 1  2  21  o 28.270  0.7137 -0.5253000     1.427000  
1 1 1 1  2  22  o 39.110  0.9541 -0.7943000     1.908000  
1 1 1 1  2  23  o 86.730  2.4050 -0.1058000E-01 4.810000  
1 1 1 1  2  24  o 102.500 2.8640 0.7547000      5.727000  
1 1 1 1  2  25  o 62.390  1.7390 -0.3785000     3.478000  
1 1 1 1  2  26  o 90.210  3.5510 ?              ?         
1 1 1 1  2  27  o 78.680  3.0970 ?              ?         
1 1 1 1  2  28  f 46.490  1.8530 ?              ?         
1 1 1 1  2  29  o 48.360  1.9270 ?              ?         
1 1 1 1  2  30  o 81.620  3.2320 ?              ?         
1 1 1 1  2  31  o 28.900  1.2420 ?              ?         
1 1 1 1  2  32  o 72.590  2.8790 ?              ?         
1 1 1 1  2  33  o 12.500  1.0950 ?              ?         
1 1 1 1  2  34  o 40.730  1.6630 ?              ?         
1 1 1 1  2  35  o 28.200  1.2470 ?              ?         
1 1 1 1  2  36  o 23.180  1.1370 ?              ?         
1 1 1 1  2  37  o 34.860  1.4720 ?              ?         
1 1 1 1  2  38  o 18.740  1.0910 ?              ?         
1 1 1 1  2  39  o 45.000  1.8440 ?              ?         
1 1 1 1  2  40  o 11.670  1.4500 ?              ?         
1 1 1 1  2  41  o 32.500  1.4190 ?              ?         
1 1 1 1  2  42  o 22.350  1.2000 ?              ?         
1 1 1 1  2  79  o 8.5470  3.4790 ?              ?         
1 1 1 1  2  80  o 14.780  3.5150 ?              ?         
1 1 1 1  2  81  o 9.9580  3.7610 ?              ?         
1 1 1 1  2  82  o 7.6740  3.4280 ?              ?         
1 1 1 1  2  83  o 9.5230  3.8530 ?              ?         
1 1 1 1  2  84  o 6.6740  3.1870 ?              ?         
1 1 1 1  2  85  o 8.3700  3.6690 ?              ?         
1 1 1 1  2  86  o 5.3910  2.6900 ?              ?         
1 1 1 1  2  87  o 8.5390  3.5850 ?              ?         
1 1 1 1  2  88  o 5.8930  2.8460 ?              ?         
1 1 1 1  2  89  o 6.6830  3.1210 ?              ?         
1 1 1 1  2  90  o 6.3580  3.0590 ?              ?         
1 1 1 1  2  91  o 6.6000  3.1490 ?              ?         
1 1 1 1  2  92  o 6.4400  3.0830 ?              ?         
1 1 1 1  2  93  o 5.4140  2.6780 ?              ?         
1 1 1 1  2  94  o 5.4470  2.6740 ?              ?         
1 1 1 1  2  95  o 6.0710  2.8970 ?              ?         
1 1 1 1  2  96  o 4.8240  1.7090 0.5969000E-01  3.417000  
1 1 1 1  2  97  o 5.3690  1.8650 -0.5680000     3.729000  
1 1 1 1  2  98  o 6.0330  2.0420 0.7754000      4.085000  
1 1 1 1  2  99  o 5.8120  1.9690 1.068000       3.938000  
1 1 1 1  2  100 f 4.8590  1.7010 0.7635000E-01  3.403000  
1 1 1 1  2  101 o 4.7550  1.5930 -0.7552000     3.186000  
1 1 1 1  3  0   f 56.900  1.2750 0.000000       0.000000  
1 1 1 1  3  1   o 67.920  1.0770 -0.8009000     2.153000  
1 1 1 1  3  2   o 125.600 2.4700 2.633000       4.939000  
1 1 1 1  3  3   o 61.900  0.9173 -1.171000      1.835000  
1 1 1 1  3  4   o 134.600 2.6530 1.149000       5.306000  
1 1 1 1  3  5   o 61.280  0.8421 0.2374000      1.684000  
1 1 1 1  3  6   f 65.610  0.9014 1.042000       1.803000  
1 1 1 1  3  7   o 29.670  0.5332 -1.053000      1.066000  
1 1 1 1  3  8   o 95.670  1.8670 -1.038000      3.734000  
1 1 1 1  3  9   o 60.000  1.1680 0.9835000      2.337000  
1 1 1 1  3  10  o 91.390  1.7840 -1.959000      3.567000  
1 1 1 1  3  11  f 22.620  0.4629 -0.7689000E-01 0.9257000 
1 1 1 1  3  12  o 94.520  1.8460 -1.449000      3.693000  
1 1 1 1  3  13  o 35.120  0.6949 -0.7333000E-01 1.390000  
1 1 1 1  3  14  o 69.170  1.3500 0.4832000      2.699000  
1 1 1 1  3  15  o 15.980  0.3850 0.3405000      0.7699000 
1 1 1 1  3  16  o 70.200  1.3690 0.2896000      2.739000  
1 1 1 1  3  17  o 136.200 2.6690 0.8563000      5.339000  
1 1 1 1  3  18  o 104.500 2.0400 0.5648000      4.080000  
1 1 1 1  3  19  o 92.740  1.8090 0.3874000      3.618000  
1 1 1 1  3  20  o 105.300 2.0540 0.6572000      4.109000  
1 1 1 1  3  21  o 13.090  0.4340 0.8040000E-01  0.8680000 
1 1 1 1  3  22  o 19.720  0.4692 0.1214000      0.9384000 
1 1 1 1  3  23  o 40.240  0.8047 0.1604000      1.609000  
1 1 1 1  3  24  o 34.410  0.7007 0.1876000      1.401000  
1 1 1 1  3  25  o 20.220  0.4915 -0.2974000     0.9830000 
1 1 1 1  3  26  o 5.6960  0.9851 -1.264000      1.970000  
1 1 1 1  3  27  o 25.490  0.6894 -0.8133000E-01 1.379000  
1 1 1 1  3  28  o 58.310  1.4090 -0.1997000     2.817000  
1 1 1 1  3  29  o 24.750  0.6800 -0.7131000E-01 1.360000  
1 1 1 1  3  30  o 22.750  0.6555 -0.2891000     1.311000  
1 1 1 1  3  31  o 51.180  1.4460 -0.7116000     2.891000  
1 1 1 1  3  32  o 32.090  0.9650 -0.7532000     1.930000  
1 1 1 1  3  33  o 39.420  1.1420 -0.5752000     2.285000  
1 1 1 1  3  34  o 58.330  1.6560 1.287000       3.313000  
1 1 1 1  3  35  o 55.630  1.5810 0.2384000      3.161000  
1 1 1 1  3  36  o 21.800  0.8118 0.8473000      1.624000  
1 1 1 1  3  37  o 38.370  1.1310 -0.5061000E-01 2.262000  
1 1 1 1  3  38  o 6.3880  1.3830 -2.622000      2.767000  
1 1 1 1  3  39  o 16.690  0.8475 2.108000       1.695000  
1 1 1 1  3  40  o 29.760  0.9568 0.1949000      1.914000  
1 1 1 1  3  41  o 27.940  0.9433 -1.440000      1.887000  
1 1 1 1  3  42  o 8.1130  1.4690 0.9705000      2.938000  
1 1 1 1  3  43  o 17.750  0.8814 -0.4448000     1.763000  
1 1 1 1  3  44  o 9.0680  1.5080 -0.7777000     3.016000  
1 1 1 1  3  45  o 6.2270  1.5780 2.146000       3.155000  
1 1 1 1  3  46  o 11.040  1.3210 1.910000       2.643000  
1 1 1 1  3  47  o 7.0300  1.6240 -2.644000      3.249000  
1 1 1 1  3  48  o 20.200  0.9800 0.7102000      1.960000  
1 1 1 1  3  49  o 17.570  1.0450 0.1937000      2.090000  
1 1 1 1  3  50  o 27.540  1.0150 0.8105000      2.029000  
1 1 1 1  3  51  f 29.080  1.0660 1.450000       2.132000  
1 1 1 1  3  52  o 27.380  1.0640 1.597000       2.129000  
1 1 1 1  3  53  o 8.5350  1.8300 2.941000       3.660000  
1 1 1 1  3  54  o 26.830  1.0610 0.9475000E-01  2.123000  
1 1 1 1  3  55  o 28.560  1.0820 0.6898000      2.165000  
1 1 1 1  3  56  o 15.540  1.3310 2.552000       2.661000  
1 1 1 1  3  57  o 36.100  1.2160 -0.6144000     2.432000  
1 1 1 1  3  58  o 27.200  1.1430 1.504000       2.286000  
1 1 1 1  3  59  o 29.480  1.1620 1.783000       2.325000  
1 1 1 1  3  60  o 24.510  1.1840 2.611000       2.368000  
1 1 1 1  3  61  f 11.280  1.9550 0.5528000      3.910000  
1 1 1 1  3  62  o 24.350  1.2210 0.8478000      2.442000  
1 1 1 1  3  63  o 16.880  1.5510 -3.823000      3.102000  
1 1 1 1  3  64  o 34.150  1.2550 0.8086000      2.510000  
1 1 1 1  3  65  o 13.890  1.8430 2.744000       3.686000  
1 1 1 1  3  66  o 10.960  2.1200 1.693000       4.240000  
1 1 1 1  3  67  o 22.680  1.3450 1.504000       2.690000  
1 1 1 1  3  68  o 10.720  2.1920 -3.462000      4.383000  
1 1 1 1  3  69  o 13.090  2.1090 -2.159000      4.218000  
1 1 1 1  3  70  o 8.2850  2.2720 -1.293000      4.544000  
1 1 1 1  3  71  o 13.300  2.2110 -0.6383000     4.421000  
1 1 1 1  3  72  f 21.180  1.5910 -0.4812000     3.182000  
1 1 1 1  3  73  o 25.970  1.5140 -1.370000      3.029000  
1 1 1 1  3  74  o 9.3390  2.5470 -0.2394000     5.095000  
1 1 1 1  3  75  o 8.8200  2.5010 2.498000       5.003000  
1 1 1 1  3  76  o 9.4980  2.6190 0.9421000      5.239000  
1 1 1 1  3  77  o 11.840  2.7910 -0.5324000E-01 5.583000  
1 1 1 1  3  78  o 10.160  2.6870 2.493000       5.375000  
1 1 1 1  3  79  o 10.200  2.6190 4.265000       5.239000  
1 1 1 1  3  80  o 11.100  2.6890 4.689000       5.377000  
1 1 1 1  3  81  o 7.5980  2.3430 -2.886000      4.687000  
1 1 1 1  3  82  o 7.9890  2.4670 -1.287000      4.935000  
1 1 1 1  3  83  o 7.5130  2.4030 -1.197000      4.806000  
1 1 1 1  3  84  o 7.2100  2.3460 0.4481000E-01  4.693000  
1 1 1 1  3  85  o 11.020  2.9120 0.8442000E-01  5.824000  
1 1 1 1  3  86  o 6.8910  2.3020 0.6231000      4.603000  
1 1 1 1  3  87  o 7.7750  2.4710 -1.455000      4.942000  
1 1 1 1  3  88  o 8.5140  2.5520 -3.396000      5.103000  
1 1 1 1  3  89  o 6.0180  2.0820 -0.2471000     4.164000  
1 1 1 1  3  90  o 8.7550  2.6610 -0.2570000     5.322000  
1 1 1 1  3  91  o 7.6450  2.4740 -0.8917000     4.948000  
1 1 1 1  3  92  o 7.4280  2.3980 -2.356000      4.796000  
1 1 1 1  3  93  o 6.4040  2.1690 1.156000       4.338000  
1 1 1 1  3  94  f 7.3660  2.3330 -3.546000      4.665000  
1 1 1 1  3  95  o 6.2260  2.1000 -0.5932000     4.199000  
1 1 1 1  3  96  o 6.2690  2.0990 0.9872000      4.198000  
1 1 1 1  3  97  o 5.6770  1.9570 -0.1157000     3.914000  
1 1 1 1  3  98  o 5.0560  1.7750 -0.7306000     3.549000  
1 1 1 1  3  99  o 4.8900  1.7190 -0.1049000E-01 3.437000  
1 1 1 1  3  100 o 5.0400  1.7560 0.5190000      3.511000  
1 1 1 1  3  101 o 3.8260  1.3520 0.1530000      2.704000  
1 1 1 1  4  0   o 30.550  0.5979 0.000000       0.000000  
1 1 1 1  4  1   o 44.790  0.6157 -0.3772000     1.231000  
1 1 1 1  4  2   o 27.170  0.3786 0.5340000      0.7572000 
1 1 1 1  4  3   o 67.160  0.9219 -0.6136000     1.844000  
1 1 1 1  4  4   o 14.290  0.2169 0.3839000      0.4337000 
1 1 1 1  4  5   o 43.930  0.6045 -0.5331000     1.209000  
1 1 1 1  4  6   o 61.490  0.8450 -1.295000      1.690000  
1 1 1 1  4  7   o 53.260  0.7320 -0.4137000     1.464000  
1 1 1 1  4  8   o 69.300  0.9536 -1.514000      1.907000  
1 1 1 1  4  9   f 32.720  0.4946 -1.136000      0.9891000 
1 1 1 1  4  10  o 114.100 2.0340 -2.047000      4.068000  
1 1 1 1  4  11  o 35.870  0.7075 0.1541000      1.415000  
1 1 1 1  4  12  o 109.500 2.1440 -0.1665000     4.288000  
1 1 1 1  4  13  o 32.380  0.6455 -0.4422000     1.291000  
1 1 1 1  4  14  o 47.060  0.9229 0.3255000      1.846000  
1 1 1 1  4  15  o 38.320  0.7587 0.4081000      1.517000  
1 1 1 1  4  16  o 63.640  1.2430 1.088000       2.486000  
1 1 1 1  4  17  f 35.520  0.7101 -0.2274000     1.420000  
1 1 1 1  4  18  f 37.760  0.7530 1.130000       1.506000  
1 1 1 1  4  19  o 153.200 3.0020 -0.6442000     6.004000  
1 1 1 1  4  20  o 51.300  1.0090 -0.5532000     2.018000  
1 1 1 1  4  21  o 58.160  1.1400 0.8854000      2.281000  
1 1 1 1  4  22  o 29.660  0.6163 0.6004000      1.233000  
1 1 1 1  4  23  o 10.890  0.4954 0.6421000E-02  0.9909000 
1 1 1 1  4  24  o 85.850  1.6780 -0.1591000     3.355000  
1 1 1 1  4  25  o 39.560  0.7961 -0.2351000E-01 1.592000  
1 1 1 1  4  26  o 94.080  1.8410 0.6652000      3.683000  
1 1 1 1  4  27  o 43.290  0.8684 -0.2554000     1.737000  
1 1 1 1  4  28  o 57.450  1.1340 -0.5212000     2.269000  
1 1 1 1  4  29  o 59.250  1.1700 1.402000       2.339000  
1 1 1 1  4  30  o 35.890  0.7401 -0.9346000     1.480000  
1 1 1 1  4  31  o 36.350  0.7510 -0.1145000     1.502000  
1 1 1 1  4  32  o 30.510  0.6597 -0.2925000     1.319000  
1 1 1 1  4  33  o 33.040  0.8583 0.6909000      1.717000  
1 1 1 1  4  34  o 42.270  1.0540 -0.2414000     2.109000  
1 1 1 1  4  35  o 24.330  0.7177 -0.6164000     1.435000  
1 1 1 1  4  36  o 27.940  0.7729 0.2347000      1.546000  
1 1 1 1  4  37  o 46.360  1.1560 0.2357000      2.312000  
1 1 1 1  4  38  o 9.7910  1.1480 -0.4556000     2.297000  
1 1 1 1  4  39  o 36.800  1.1100 2.110000       2.220000  
1 1 1 1  4  40  o 23.230  0.8613 -0.5315000     1.723000  
1 1 1 1  4  41  o 23.230  0.8745 0.8538000      1.749000  
1 1 1 1  4  42  o 41.700  1.2390 -0.8990000     2.479000  
1 1 1 1  4  43  o 16.530  0.9179 1.648000       1.836000  
1 1 1 1  4  44  o 19.830  0.9401 0.1072000      1.880000  
1 1 1 1  4  45  o 6.0890  1.5720 -1.155000      3.143000  
1 1 1 1  4  46  o 26.260  0.9813 -0.4122000E-01 1.963000  
1 1 1 1  4  47  o 18.130  1.0250 -0.4959000     2.051000  
1 1 1 1  4  48  o 20.030  0.9979 -0.5434000     1.996000  
1 1 1 1  4  49  o 28.140  1.0350 -0.8382000     2.070000  
1 1 1 1  4  50  o 10.500  1.6510 1.107000       3.301000  
1 1 1 1  4  51  o 41.820  1.2850 -1.602000      2.570000  
1 1 1 1  4  52  o 13.450  1.3880 -2.881000      2.776000  
1 1 1 1  4  53  o 32.820  1.1330 -1.016000      2.265000  
1 1 1 1  4  54  o 44.960  1.3750 -1.663000      2.750000  
1 1 1 1  4  55  o 16.710  1.3740 0.7577000      2.749000  
1 1 1 1  4  56  o 17.060  1.2730 0.9093000      2.546000  
1 1 1 1  4  57  o 16.830  1.3460 -0.1822000     2.693000  
1 1 1 1  4  58  o 28.440  1.1660 0.6636000      2.332000  
1 1 1 1  4  59  o 11.160  1.9540 0.2512000      3.908000  
1 1 1 1  4  60  o 8.5540  2.1280 1.056000       4.257000  
1 1 1 1  4  61  o 8.3160  2.0850 1.464000       4.171000  
1 1 1 1  4  62  o 9.5640  2.0420 3.460000       4.084000  
1 1 1 1  4  63  f 34.200  1.2550 -3.182000      2.511000  
1 1 1 1  4  64  o 18.700  1.4750 -0.7203000     2.951000  
1 1 1 1  4  65  o 19.310  1.5220 -0.9127000     3.044000  
1 1 1 1  4  66  o 24.740  1.3510 -0.8874000     2.703000  
1 1 1 1  4  67  o 19.370  1.5820 -3.071000      3.164000  
1 1 1 1  4  68  o 16.270  1.8410 -0.1090000     3.683000  
1 1 1 1  4  69  o 20.720  1.6120 -1.023000      3.225000  
1 1 1 1  4  70  o 24.900  1.4740 -0.9656000     2.947000  
1 1 1 1  4  71  o 22.940  1.5250 0.4632000      3.049000  
1 1 1 1  4  72  f 19.820  1.7260 -1.468000      3.451000  
1 1 1 1  4  73  o 15.480  2.2350 2.201000       4.470000  
1 1 1 1  4  74  o 11.890  2.5570 0.5827000      5.115000  
1 1 1 1  4  75  o 22.090  1.7540 -0.8651000E-01 3.508000  
1 1 1 1  4  76  o 10.370  2.4070 6.380000       4.813000  
1 1 1 1  4  77  o 7.7130  2.3820 0.6935000      4.764000  
1 1 1 1  4  78  o 12.510  2.6320 3.257000       5.264000  
1 1 1 1  4  79  o 7.1460  2.2880 0.6090000E-01  4.576000  
1 1 1 1  4  80  o 9.4600  2.6410 0.8941000      5.283000  
1 1 1 1  4  81  o 9.3090  2.6480 -0.4201000     5.296000  
1 1 1 1  4  82  o 9.5740  2.6340 3.804000       5.268000  
1 1 1 1  4  83  o 11.680  2.9260 0.4605000      5.851000  
1 1 1 1  4  84  o 11.350  2.8760 2.952000       5.752000  
1 1 1 1  4  85  o 7.3320  2.4030 1.009000       4.807000  
1 1 1 1  4  86  o 9.8700  2.7000 4.196000       5.399000  
1 1 1 1  4  87  o 7.5840  2.4500 -0.2059000E-01 4.900000  
1 1 1 1  4  88  o 7.6250  2.4710 -0.5374000     4.942000  
1 1 1 1  4  89  o 7.0130  2.3360 -1.173000      4.672000  
1 1 1 1  4  90  o 6.1060  2.1010 -0.4786000     4.202000  
1 1 1 1  4  91  o 6.5470  2.2150 -0.3819000E-01 4.431000  
1 1 1 1  4  92  o 7.4890  2.4010 -0.9195000     4.803000  
1 1 1 1  4  93  o 6.8710  2.2490 -0.8908000     4.497000  
1 1 1 1  4  94  o 6.2860  2.1180 0.6113000      4.235000  
1 1 1 1  4  95  o 6.0300  2.0640 0.1195000      4.128000  
1 1 1 1  4  96  o 5.8180  1.9990 -1.609000      3.999000  
1 1 1 1  4  97  f 7.2130  2.3150 -3.174000      4.630000  
1 1 1 1  4  98  o 4.9850  1.7540 0.5510000      3.508000  
1 1 1 1  4  99  o 5.3240  1.8470 -0.1871000     3.695000  
1 1 1 1  4  100 o 4.5970  1.5990 0.6483000E-01  3.197000  
1 1 1 1  4  101 o 4.1860  1.4380 0.8516000      2.875000  
1 1 1 1  5  0   o 84.140  1.6320 0.000000       0.000000  
1 1 1 1  5  1   o 52.410  0.7202 -0.1519000     1.440000  
1 1 1 1  5  2   o 60.620  0.8320 -0.4659000     1.664000  
1 1 1 1  5  3   o 43.700  0.6019 0.1355000      1.204000  
1 1 1 1  5  4   o 97.580  1.3410 1.427000       2.682000  
1 1 1 1  5  5   o 73.690  1.0120 0.3248000      2.024000  
1 1 1 1  5  6   o 25.570  0.3913 1.002000       0.7826000 
1 1 1 1  5  7   o 49.030  0.6755 0.2342000      1.351000  
1 1 1 1  5  8   o 57.010  0.7839 0.9243000E-01  1.568000  
1 1 1 1  5  9   f 100.900 1.3850 0.2035000      2.771000  
1 1 1 1  5  10  o 147.100 2.1930 -0.8884000     4.386000  
1 1 1 1  5  11  o 81.380  1.2080 0.6799000E-01  2.416000  
1 1 1 1  5  12  o 123.500 1.9640 -0.5987000     3.928000  
1 1 1 1  5  13  f 103.600 1.8410 -1.041000      3.683000  
1 1 1 1  5  14  o 27.530  0.5622 -0.4646000     1.124000  
1 1 1 1  5  15  o 180.000 3.5580 0.7735000      7.116000  
1 1 1 1  5  16  o 26.810  0.5562 -0.3885000     1.112000  
1 1 1 1  5  17  o 52.950  1.0380 0.1244000E-01  2.076000  
1 1 1 1  5  18  o 52.620  1.0320 -0.1489000     2.065000  
1 1 1 1  5  19  o 71.310  1.3920 0.2418000      2.785000  
1 1 1 1  5  20  o 105.300 2.0590 1.399000       4.118000  
1 1 1 1  5  21  o 50.870  1.0030 0.1033000      2.005000  
1 1 1 1  5  22  o 39.580  0.7936 0.1213000      1.587000  
1 1 1 1  5  23  f 48.540  0.9612 0.5023000      1.922000  
1 1 1 1  5  24  o 102.700 2.0110 0.7872000      4.023000  
1 1 1 1  5  25  o 67.400  1.3220 -0.1073000     2.644000  
1 1 1 1  5  26  o 77.980  1.5280 0.2642000      3.057000  
1 1 1 1  5  27  f 61.350  1.2090 -0.2519000     2.417000  
1 1 1 1  5  28  o 51.820  1.0290 -1.550000      2.058000  
1 1 1 1  5  29  o 56.640  1.1220 0.3969000      2.243000  
1 1 1 1  5  30  o 26.710  0.5975 -0.8188000     1.195000  
1 1 1 1  5  31  o 30.840  0.6623 0.2802000      1.325000  
1 1 1 1  5  32  f 30.780  0.6637 -0.1027000E-01 1.327000  
1 1 1 1  5  33  o 14.450  0.5837 -1.583000      1.167000  
1 1 1 1  5  34  o 5.1680  1.1680 -0.1511000     2.336000  
1 1 1 1  5  35  o 24.800  0.5957 -0.4281000     1.191000  
1 1 1 1  5  36  o 51.880  1.0420 -0.7305000     2.085000  
1 1 1 1  5  37  o 35.680  0.7576 0.6924000      1.515000  
1 1 1 1  5  38  f 31.860  0.7030 0.8032000      1.406000  
1 1 1 1  5  39  o 42.800  0.8846 -0.2594000     1.769000  
1 1 1 1  5  40  o 35.940  0.9378 -2.108000      1.876000  
1 1 1 1  5  41  o 29.500  0.8405 0.5654000      1.681000  
1 1 1 1  5  42  f 38.660  1.0060 0.6177000      2.013000  
1 1 1 1  5  43  o 24.020  0.7872 -0.7145000     1.574000  
1 1 1 1  5  44  o 15.010  0.8805 0.7500000      1.761000  
1 1 1 1  5  45  o 7.0020  1.6650 -0.4049000     3.329000  
1 1 1 1  5  46  o 14.730  1.1970 3.979000       2.394000  
1 1 1 1  5  47  o 20.090  0.9832 -1.087000      1.966000  
1 1 1 1  5  48  o 27.710  1.0080 -1.930000      2.016000  
1 1 1 1  5  49  o 6.6540  1.7680 -1.704000      3.536000  
1 1 1 1  5  50  o 20.560  1.0710 -2.083000      2.141000  
1 1 1 1  5  51  o 20.680  1.1010 1.220000       2.202000  
1 1 1 1  5  52  o 18.010  1.2120 -2.021000      2.423000  
1 1 1 1  5  53  f 16.580  1.3080 2.950000       2.616000  
1 1 1 1  5  54  f 28.400  1.0820 1.179000       2.165000  
1 1 1 1  5  55  o 10.860  1.8860 -0.6022000     3.773000  
1 1 1 1  5  56  o 37.620  1.2550 0.6565000      2.510000  
1 1 1 1  5  57  o 36.460  1.2510 0.4830000      2.502000  
1 1 1 1  5  58  o 32.260  1.2210 2.499000       2.442000  
1 1 1 1  5  59  o 28.760  1.2220 1.300000       2.443000  
1 1 1 1  5  60  o 31.100  1.2160 -0.8512000     2.432000  
1 1 1 1  5  61  o 39.010  1.2960 0.1033000E-01  2.591000  
1 1 1 1  5  62  o 20.210  1.3330 3.584000       2.667000  
1 1 1 1  5  63  o 20.960  1.3340 -0.1980000     2.669000  
1 1 1 1  5  64  o 7.2740  2.0610 -2.963000      4.123000  
1 1 1 1  5  65  o 26.360  1.3030 1.937000       2.605000  
1 1 1 1  5  66  o 15.120  1.8620 1.518000       3.724000  
1 1 1 1  5  67  o 41.270  1.4210 0.6078000      2.842000  
1 1 1 1  5  68  o 17.670  1.7420 2.999000       3.485000  
1 1 1 1  5  69  o 10.340  2.3480 3.799000       4.696000  
1 1 1 1  5  70  o 30.340  1.3850 -0.9590000     2.771000  
1 1 1 1  5  71  o 9.3740  2.4140 -1.431000      4.828000  
1 1 1 1  5  72  o 7.4020  2.2390 -1.865000      4.478000  
1 1 1 1  5  73  o 9.6030  2.4580 1.480000       4.916000  
1 1 1 1  5  74  o 22.160  1.7730 2.315000       3.546000  
1 1 1 1  5  75  o 7.2270  2.2880 1.859000       4.575000  
1 1 1 1  5  76  o 8.9680  2.5040 3.916000       5.009000  
1 1 1 1  5  77  o 13.340  2.7080 -1.613000      5.417000  
1 1 1 1  5  78  o 9.2590  2.4650 -5.643000      4.930000  
1 1 1 1  5  79  o 12.510  2.5830 -6.834000      5.165000  
1 1 1 1  5  80  o 8.4130  2.5440 -1.691000      5.087000  
1 1 1 1  5  81  o 6.6270  2.2070 -1.898000      4.414000  
1 1 1 1  5  82  o 8.8630  2.6480 0.4643000      5.296000  
1 1 1 1  5  83  f 7.8740  2.5110 1.509000       5.022000  
1 1 1 1  5  84  o 7.2660  2.3890 1.726000       4.777000  
1 1 1 1  5  85  f 6.4080  2.1940 0.5831000      4.387000  
1 1 1 1  5  86  o 7.0340  2.3650 0.3990000      4.730000  
1 1 1 1  5  87  o 8.3190  2.6470 -0.5385000     5.295000  
1 1 1 1  5  88  o 8.4340  2.6060 -3.498000      5.212000  
1 1 1 1  5  89  o 6.7640  2.2920 0.4972000      4.583000  
1 1 1 1  5  90  o 6.0730  2.0970 -0.4277000     4.193000  
1 1 1 1  5  91  o 8.4470  2.6130 0.6659000      5.227000  
1 1 1 1  5  92  o 6.1810  2.0970 2.902000       4.194000  
1 1 1 1  5  93  o 5.5580  1.9260 0.6444000      3.852000  
1 1 1 1  5  94  f 5.9620  2.0330 -0.4248000     4.066000  
1 1 1 1  5  95  o 5.3630  1.8850 0.8344000      3.771000  
1 1 1 1  5  96  f 5.1220  1.8140 -0.8028000     3.628000  
1 1 1 1  5  97  o 5.3020  1.8620 0.8932000E-01  3.723000  
1 1 1 1  5  98  o 6.7370  2.2250 2.037000       4.449000  
1 1 1 1  5  99  o 4.7980  1.7030 0.8362000      3.406000  
1 1 1 1  5  100 o 4.2620  1.4940 0.9220000      2.989000  
1 1 1 1  5  101 f 4.1650  2.0000 ?              ?         
1 1 1 1  6  0   o 80.220  1.5570 -0.000000      0.000000  
1 1 1 1  6  1   o 74.090  1.0160 0.2431000      2.033000  
1 1 1 1  6  2   o 26.500  0.3746 -0.5602000     0.7493000 
1 1 1 1  6  3   o 64.100  0.8807 -1.352000      1.761000  
1 1 1 1  6  4   o 29.560  0.4140 0.9835000E-01  0.8280000 
1 1 1 1  6  5   o 42.060  0.5815 0.1618000      1.163000  
1 1 1 1  6  6   o 133.500 1.8370 0.8727000      3.673000  
1 1 1 1  6  7   o 52.670  0.7257 -0.2947000     1.451000  
1 1 1 1  6  8   o 54.410  0.7495 0.2909000      1.499000  
1 1 1 1  6  9   o 142.200 1.9560 0.7860000E-01  3.912000  
1 1 1 1  6  10  o 42.960  0.5947 0.1998000      1.189000  
1 1 1 1  6  11  o 45.850  0.6342 -0.4485000E-01 1.268000  
1 1 1 1  6  12  o 49.440  0.6848 0.5490000      1.370000  
1 1 1 1  6  13  o 109.100 1.6200 -1.061000      3.240000  
1 1 1 1  6  14  o 52.680  0.8426 0.2277000      1.685000  
1 1 1 1  6  15  o 44.330  0.7143 -0.3558000     1.429000  
1 1 1 1  6  16  o 67.240  1.5260 1.274000       3.053000  
1 1 1 1  6  17  o 66.680  1.3030 0.3043000      2.606000  
1 1 1 1  6  18  o 77.490  1.5130 1.037000       3.026000  
1 1 1 1  6  19  o 68.770  1.6540 -0.3275000     3.307000  
1 1 1 1  6  20  o 74.820  1.4630 -1.214000      2.925000  
1 1 1 1  6  21  o 66.260  1.2980 -0.8681000     2.596000  
1 1 1 1  6  22  o 18.500  0.4734 -1.125000      0.9468000 
1 1 1 1  6  23  o 101.600 1.9870 0.7239000      3.974000  
1 1 1 1  6  24  o 81.470  1.5990 1.378000       3.197000  
1 1 1 1  6  25  o 61.120  1.2030 0.5497000      2.407000  
1 1 1 1  6  26  o 31.650  0.6631 0.8019000E-01  1.326000  
1 1 1 1  6  27  o 72.880  1.4350 0.8437000      2.869000  
1 1 1 1  6  28  o 49.940  0.9957 1.149000       1.991000  
1 1 1 1  6  29  f 50.830  1.0150 1.687000       2.029000  
1 1 1 1  6  30  o 14.820  0.5421 -0.1914000     1.084000  
1 1 1 1  6  31  o 16.610  0.5311 0.2602000      1.062000  
1 1 1 1  6  32  o 25.690  0.6002 0.2821000      1.200000  
1 1 1 1  6  33  o 15.660  0.5636 1.137000       1.127000  
1 1 1 1  6  34  o 41.400  0.8498 0.1073000      1.700000  
1 1 1 1  6  35  o 24.830  0.6054 -0.5121000     1.211000  
1 1 1 1  6  36  o 44.020  0.9005 -0.8815000     1.801000  
1 1 1 1  6  37  o 44.090  0.9061 0.4697000      1.812000  
1 1 1 1  6  38  o 39.020  0.8214 -0.7678000     1.643000  
1 1 1 1  6  39  o 12.600  0.7405 0.1196000      1.481000  
1 1 1 1  6  40  o 28.680  0.6714 0.1045000      1.343000  
1 1 1 1  6  41  o 16.100  0.7064 -0.2759000     1.413000  
1 1 1 1  6  42  o 21.670  0.6696 1.252000       1.339000  
1 1 1 1  6  43  o 21.440  0.6757 -0.8548000     1.351000  
1 1 1 1  6  44  o 28.110  0.7039 0.2464000      1.408000  
1 1 1 1  6  45  o 17.940  0.7316 -0.6308000     1.463000  
1 1 1 1  6  46  o 30.390  0.7413 0.1404000      1.483000  
1 1 1 1  6  47  o 6.3650  1.6250 0.8200000      3.250000  
1 1 1 1  6  48  o 46.030  1.1910 1.142000       2.383000  
1 1 1 1  6  49  o 33.570  0.9650 -0.8328000     1.930000  
1 1 1 1  6  50  o 14.780  1.1470 -2.020000      2.294000  
1 1 1 1  6  51  o 43.130  1.3280 -0.9477000     2.656000  
1 1 1 1  6  52  o 46.420  1.4080 -1.401000      2.815000  
1 1 1 1  6  53  o 16.690  1.3380 2.463000       2.675000  
1 1 1 1  6  54  o 15.430  1.3880 1.343000       2.776000  
1 1 1 1  6  55  o 9.2660  2.0280 -2.681000      4.055000  
1 1 1 1  6  56  o 27.740  1.1800 0.4153000      2.359000  
1 1 1 1  6  57  o 16.310  1.5230 1.475000       3.046000  
1 1 1 1  6  58  o 16.090  1.5880 -2.312000      3.177000  
1 1 1 1  6  59  f 12.090  1.8810 4.147000       3.761000  
1 1 1 1  6  60  o 21.220  1.2740 -2.765000      2.548000  
1 1 1 1  6  61  o 29.780  1.2250 -0.1937000     2.451000  
1 1 1 1  6  62  o 22.240  1.3220 2.201000       2.644000  
1 1 1 1  6  63  o 28.090  1.2230 -1.102000      2.446000  
1 1 1 1  6  64  f 10.880  2.1560 0.7337000      4.313000  
1 1 1 1  6  65  o 23.670  1.3730 0.9340000      2.747000  
1 1 1 1  6  66  o 8.9510  2.2840 0.2015000      4.567000  
1 1 1 1  6  67  o 15.750  1.9500 1.307000       3.901000  
1 1 1 1  6  68  o 23.090  1.5060 2.968000       3.011000  
1 1 1 1  6  69  o 10.570  2.4060 3.313000       4.811000  
1 1 1 1  6  70  o 13.050  2.2460 4.308000       4.491000  
1 1 1 1  6  71  o 9.4940  2.4780 1.894000       4.956000  
1 1 1 1  6  72  o 18.800  1.9590 2.589000       3.917000  
1 1 1 1  6  73  o 19.570  1.9670 1.524000       3.933000  
1 1 1 1  6  74  o 14.720  2.4760 1.093000       4.952000  
1 1 1 1  6  75  o 7.6040  2.3690 0.4886000      4.737000  
1 1 1 1  6  76  o 12.480  2.6250 -3.128000      5.250000  
1 1 1 1  6  77  o 12.660  2.6300 4.280000       5.260000  
1 1 1 1  6  78  o 10.310  2.6500 -3.195000      5.300000  
1 1 1 1  6  79  f 8.9850  2.5330 -1.688000      5.066000  
1 1 1 1  6  80  o 9.1060  2.6130 0.9131000E-01  5.226000  
1 1 1 1  6  81  o 9.8480  2.6650 -2.334000      5.329000  
1 1 1 1  6  82  o 9.2030  2.7110 -0.6004000     5.422000  
1 1 1 1  6  83  o 8.1440  2.5560 0.4829000      5.113000  
1 1 1 1  6  84  o 7.9430  2.5430 -0.6400000     5.086000  
1 1 1 1  6  85  o 8.0470  2.5880 -1.032000      5.177000  
1 1 1 1  6  86  o 9.0460  2.7780 1.044000       5.556000  
1 1 1 1  6  87  o 8.7200  2.7120 2.064000       5.425000  
1 1 1 1  6  88  o 7.1710  2.3960 -0.1637000     4.792000  
1 1 1 1  6  89  o 8.2270  2.6100 -0.3268000     5.220000  
1 1 1 1  6  90  o 6.6460  2.2490 0.6924000      4.497000  
1 1 1 1  6  91  o 5.8530  2.0210 0.2706000      4.042000  
1 1 1 1  6  92  o 6.0000  2.0380 1.924000       4.076000  
1 1 1 1  6  93  o 5.9250  2.0180 1.768000       4.036000  
1 1 1 1  6  94  o 6.8120  2.2610 -1.057000      4.523000  
1 1 1 1  6  95  o 5.4250  1.9090 0.3643000      3.819000  
1 1 1 1  6  96  o 5.1100  1.8160 -0.4321000     3.631000  
1 1 1 1  6  97  o 4.7640  1.6980 -0.5596000     3.397000  
1 1 1 1  6  98  o 4.4930  1.6040 -0.3823000     3.208000  
1 1 1 1  6  99  o 4.7860  1.6620 -0.7880000     3.324000  
1 1 1 1  6  100 o 4.1980  1.4410 0.1540000      2.882000  
1 1 1 1  7  0   o 9.4330  0.3339 0.000000       0.000000  
1 1 1 1  7  1   o 63.270  0.8692 0.4024000      1.738000  
1 1 1 1  7  2   o 125.100 1.7210 -0.4596000     3.441000  
1 1 1 1  7  3   o 32.810  0.4592 0.7198000      0.9183000 
1 1 1 1  7  4   o 41.270  0.5718 -0.1426000E-01 1.144000  
1 1 1 1  7  5   o 163.700 2.2560 1.727000       4.512000  
1 1 1 1  7  6   o 39.040  0.5904 -1.898000      1.181000  
1 1 1 1  7  7   o 104.400 1.4340 -0.2512000E-01 2.868000  
1 1 1 1  7  8   o 67.290  0.9252 -0.5616000     1.850000  
1 1 1 1  7  9   o 144.000 1.9780 0.5554000      3.957000  
1 1 1 1  7  10  o 69.220  0.9514 -0.4704000E-01 1.903000  
1 1 1 1  7  11  o 48.910  0.6760 0.6461000E-01  1.352000  
1 1 1 1  7  12  o 73.790  1.0150 -0.1726000     2.029000  
1 1 1 1  7  13  o 57.600  0.7955 0.5536000      1.591000  
1 1 1 1  7  14  o 22.160  0.3333 0.1097000E-01  0.6667000 
1 1 1 1  7  15  o 57.720  0.8636 -0.8732000     1.727000  
1 1 1 1  7  16  o 16.470  0.3363 0.7159000      0.6727000 
1 1 1 1  7  17  o 24.650  0.4258 0.4405000      0.8516000 
1 1 1 1  7  18  o 38.410  0.6255 -0.3412000     1.251000  
1 1 1 1  7  19  o 40.960  0.7429 -1.007000      1.486000  
1 1 1 1  7  20  o 94.880  1.8540 0.1065000      3.709000  
1 1 1 1  7  21  o 44.990  0.8935 -0.1981000     1.787000  
1 1 1 1  7  22  o 25.880  0.5648 -0.8751000     1.130000  
1 1 1 1  7  23  o 67.080  1.3180 -0.2315000     2.635000  
1 1 1 1  7  24  o 76.260  1.4960 0.2851000      2.992000  
1 1 1 1  7  25  o 35.220  0.7232 -0.7459000     1.446000  
1 1 1 1  7  26  o 33.630  0.7013 0.2373000      1.403000  
1 1 1 1  7  27  o 45.240  0.9081 0.1045000      1.816000  
1 1 1 1  7  28  o 35.760  0.7399 1.009000       1.480000  
1 1 1 1  7  29  o 41.720  0.8489 -0.5639000     1.698000  
1 1 1 1  7  30  o 30.200  0.6578 0.1450000E-01  1.316000  
1 1 1 1  7  31  o 20.280  0.5597 0.2295000      1.119000  
1 1 1 1  7  32  o 8.4310  0.8431 0.4691000      1.686000  
1 1 1 1  7  33  o 24.450  0.5972 -1.018000      1.194000  
1 1 1 1  7  34  o 18.410  0.5617 0.2017000      1.123000  
1 1 1 1  7  35  o 17.230  0.6012 -1.532000      1.202000  
1 1 1 1  7  36  o 21.850  0.6010 0.3544000E-01  1.202000  
1 1 1 1  7  37  o 23.470  0.6158 -0.4030000     1.232000  
1 1 1 1  7  38  o 37.990  0.8051 0.1733000      1.610000  
1 1 1 1  7  39  o 47.160  0.9658 -0.1186000     1.932000  
1 1 1 1  7  40  o 18.950  0.6519 -2.725000      1.304000  
1 1 1 1  7  41  o 21.370  0.6495 1.459000       1.299000  
1 1 1 1  7  42  o 45.810  0.9514 0.2123000      1.903000  
1 1 1 1  7  43  o 12.650  0.9084 -0.2715000     1.817000  
1 1 1 1  7  44  o 25.530  0.6918 -0.6051000     1.384000  
1 1 1 1  7  45  f 28.950  0.7213 0.5500000      1.443000  
1 1 1 1  7  46  o 56.610  1.1520 -0.1157000     2.305000  
1 1 1 1  7  47  o 15.910  0.8601 -0.9774000     1.720000  
1 1 1 1  7  48  o 18.320  0.7846 0.1514000      1.569000  
1 1 1 1  7  49  o 9.3080  1.3590 2.455000       2.717000  
1 1 1 1  7  50  o 25.320  0.7568 -0.6049000E-01 1.514000  
1 1 1 1  7  51  o 14.470  0.9820 0.3253000      1.964000  
1 1 1 1  7  52  o 48.770  1.0280 -0.9034000     2.056000  
1 1 1 1  7  53  o 47.880  1.2480 -1.469000      2.495000  
1 1 1 1  7  54  o 10.440  1.7300 3.045000       3.460000  
1 1 1 1  7  55  o 32.710  1.0360 -0.1172000     2.072000  
1 1 1 1  7  56  o 40.350  1.3310 -1.056000      2.662000  
1 1 1 1  7  57  o 11.240  2.0140 -6.146000      4.028000  
1 1 1 1  7  58  o 43.600  1.3880 0.5141000      2.776000  
1 1 1 1  7  59  o 10.940  2.1390 0.1045000      4.279000  
1 1 1 1  7  60  o 22.220  1.3340 0.2853000      2.668000  
1 1 1 1  7  61  f 33.940  1.2690 0.2314000      2.537000  
1 1 1 1  7  62  o 23.470  1.3620 1.616000       2.724000  
1 1 1 1  7  63  o 5.9170  1.9140 -0.3107000E-01 3.828000  
1 1 1 1  7  64  o 11.080  2.2330 -2.072000      4.466000  
1 1 1 1  7  65  o 14.450  1.9570 1.111000       3.913000  
1 1 1 1  7  66  o 18.140  1.7210 3.886000       3.443000  
1 1 1 1  7  67  o 12.230  2.2160 -6.636000      4.431000  
1 1 1 1  7  68  f 22.860  1.5570 2.798000       3.113000  
1 1 1 1  7  69  o 11.140  2.4510 1.853000       4.901000  
1 1 1 1  7  70  o 14.470  2.3080 1.477000       4.616000  
1 1 1 1  7  71  o 18.770  1.9830 -1.765000      3.966000  
1 1 1 1  7  72  o 18.460  2.0360 -3.163000      4.072000  
1 1 1 1  7  73  o 9.1010  2.5350 1.521000       5.069000  
1 1 1 1  7  74  o 10.820  2.6070 -0.7309000     5.214000  
1 1 1 1  7  75  o 9.4550  2.5180 2.552000       5.037000  
1 1 1 1  7  76  o 7.1150  2.2930 -1.564000      4.586000  
1 1 1 1  7  77  o 9.0200  2.5680 -2.823000      5.137000  
1 1 1 1  7  78  o 8.7910  2.6130 0.3293000      5.226000  
1 1 1 1  7  79  o 9.0470  2.5880 -2.490000      5.175000  
1 1 1 1  7  80  o 9.0020  2.5470 3.736000       5.095000  
1 1 1 1  7  81  o 16.790  2.6060 0.2727000      5.213000  
1 1 1 1  7  82  o 13.360  2.7980 0.9137000      5.595000  
1 1 1 1  7  83  o 6.9680  2.3070 1.808000       4.614000  
1 1 1 1  7  84  o 7.5220  2.4090 2.638000       4.817000  
1 1 1 1  7  85  o 7.9580  2.5290 -2.504000      5.058000  
1 1 1 1  7  86  o 10.780  2.8930 -2.452000      5.786000  
1 1 1 1  7  87  o 7.2930  2.4020 0.7946000E-01  4.803000  
1 1 1 1  7  88  o 6.8690  2.3050 1.207000       4.610000  
1 1 1 1  7  89  o 6.8130  2.2900 -1.011000      4.580000  
1 1 1 1  7  90  o 6.8380  2.2750 -1.160000      4.551000  
1 1 1 1  7  91  o 5.7640  1.9880 -1.163000      3.976000  
1 1 1 1  7  92  f 5.1220  1.8060 -0.2595000     3.612000  
1 1 1 1  7  93  o 6.2660  2.1140 1.170000       4.229000  
1 1 1 1  7  94  o 5.8080  2.0150 0.6088000      4.030000  
1 1 1 1  7  95  o 6.5440  2.1920 2.914000       4.384000  
1 1 1 1  7  96  o 5.5570  1.9300 -0.8245000E-02 3.860000  
1 1 1 1  7  97  f 4.7560  1.6820 0.2754000      3.365000  
1 1 1 1  7  98  o 4.7760  1.6790 0.3942000      3.358000  
1 1 1 1  7  99  o 3.9930  1.4040 -0.4220000     2.809000  
1 1 1 1  7  100 o 4.2620  1.4690 0.2088000      2.938000  
1 1 1 1  8  0   o 8.8730  0.3634 0.000000       0.000000  
1 1 1 1  8  1   o 47.620  0.6575 -0.2949000     1.315000  
1 1 1 1  8  2   o 67.090  0.9222 0.3514000      1.844000  
1 1 1 1  8  3   o 61.850  0.8507 0.6612000      1.701000  
1 1 1 1  8  4   o 67.850  0.9331 0.4221000      1.866000  
1 1 1 1  8  5   o 58.770  0.8094 0.3661000      1.619000  
1 1 1 1  8  6   o 89.060  1.2240 0.1233000      2.447000  
1 1 1 1  8  7   o 75.100  1.0330 -0.2185000     2.065000  
1 1 1 1  8  8   o 34.010  0.4776 0.7344000E-01  0.9553000 
1 1 1 1  8  9   o 13.650  0.2601 -0.1624000E-01 0.5202000 
1 1 1 1  8  10  o 40.400  0.5625 0.4712000      1.125000  
1 1 1 1  8  11  o 79.420  1.0920 0.4394000      2.183000  
1 1 1 1  8  12  o 74.660  1.0280 0.4462000      2.057000  
1 1 1 1  8  13  o 27.290  0.4308 -1.116000      0.8615000 
1 1 1 1  8  14  o 61.630  0.8503 -0.4080000     1.701000  
1 1 1 1  8  15  o 76.510  1.0530 0.1167000      2.107000  
1 1 1 1  8  16  o 51.390  0.7124 0.7339000      1.425000  
1 1 1 1  8  17  o 58.140  0.9306 -0.3116000     1.861000  
1 1 1 1  8  18  o 20.290  0.3814 0.5957000      0.7629000 
1 1 1 1  8  19  o 35.650  0.5851 0.3228000E-01  1.170000  
1 1 1 1  8  20  o 47.100  0.7590 0.5172000E-01  1.518000  
1 1 1 1  8  21  o 12.050  0.3876 0.7909000      0.7752000 
1 1 1 1  8  22  o 36.660  0.7449 0.6303000      1.490000  
1 1 1 1  8  23  o 50.570  1.0040 0.4026000      2.007000  
1 1 1 1  8  24  o 53.650  1.3090 0.3042000      2.617000  
1 1 1 1  8  25  o 55.740  1.1060 -0.3483000     2.212000  
1 1 1 1  8  26  o 42.820  0.8626 -0.4226000     1.725000  
1 1 1 1  8  27  o 41.520  0.8421 -0.6994000     1.684000  
1 1 1 1  8  28  o 40.500  0.8260 -0.1784000     1.652000  
1 1 1 1  8  29  o 33.550  0.8731 -0.4393000     1.746000  
1 1 1 1  8  30  o 21.380  0.5628 -0.4290000     1.126000  
1 1 1 1  8  31  o 33.300  0.7085 -0.1978000     1.417000  
1 1 1 1  8  32  o 49.280  0.9942 0.9171000      1.988000  
1 1 1 1  8  33  o 41.130  0.8492 1.485000       1.698000  
1 1 1 1  8  34  o 34.770  0.7486 -0.1529000     1.497000  
1 1 1 1  8  35  o 41.980  0.8683 -0.3179000E-01 1.737000  
1 1 1 1  8  36  o 45.150  0.9280 -0.9133000     1.856000  
1 1 1 1  8  37  o 12.020  0.7425 1.395000       1.485000  
1 1 1 1  8  38  o 24.960  0.6525 0.2553000      1.305000  
1 1 1 1  8  39  o 25.220  0.6633 0.8585000      1.327000  
1 1 1 1  8  40  o 35.830  0.7898 1.232000       1.580000  
1 1 1 1  8  41  o 19.730  0.6823 -1.346000      1.365000  
1 1 1 1  8  42  o 25.970  0.6854 -0.2347000     1.371000  
1 1 1 1  8  43  o 39.870  0.8583 0.4428000      1.717000  
1 1 1 1  8  44  o 26.220  0.7082 -0.6994000     1.416000  
1 1 1 1  8  45  o 17.930  0.8012 1.051000       1.602000  
1 1 1 1  8  46  o 50.870  1.0540 -0.1625000     2.108000  
1 1 1 1  8  47  o 27.110  0.7519 1.114000       1.504000  
1 1 1 1  8  48  o 40.360  0.8912 -0.6676000     1.782000  
1 1 1 1  8  49  o 36.470  0.8533 1.651000       1.707000  
1 1 1 1  8  50  o 57.010  1.1710 1.746000       2.343000  
1 1 1 1  8  51  o 21.340  0.8484 -1.447000      1.697000  
1 1 1 1  8  52  o 15.010  1.0680 1.180000       2.137000  
1 1 1 1  8  53  o 18.410  0.9528 0.6755000      1.906000  
1 1 1 1  8  54  o 23.620  0.8649 0.2727000      1.730000  
1 1 1 1  8  55  o 46.020  1.0010 0.7464000      2.002000  
1 1 1 1  8  56  o 7.4020  1.7630 1.518000       3.527000  
1 1 1 1  8  57  o 8.0980  1.6290 3.766000       3.257000  
1 1 1 1  8  58  o 15.080  1.4330 -0.8076000     2.866000  
1 1 1 1  8  59  o 23.660  1.0240 1.396000       2.048000  
1 1 1 1  8  60  o 21.630  1.1460 1.730000       2.291000  
1 1 1 1  8  61  o 20.670  1.2000 -1.585000      2.399000  
1 1 1 1  8  62  o 6.9340  2.0700 -1.535000      4.139000  
1 1 1 1  8  63  o 7.5590  2.1680 -1.907000      4.336000  
1 1 1 1  8  64  f 8.6880  2.2690 -0.5056000     4.539000  
1 1 1 1  8  65  o 23.640  1.4620 0.9254000      2.924000  
1 1 1 1  8  66  o 20.160  1.6590 -1.277000      3.318000  
1 1 1 1  8  67  o 12.080  2.3020 4.651000       4.604000  
1 1 1 1  8  68  o 15.160  2.1750 -4.123000      4.349000  
1 1 1 1  8  69  o 7.3360  2.2340 -2.791000      4.469000  
1 1 1 1  8  70  o 8.3730  2.4300 2.069000       4.860000  
1 1 1 1  8  71  o 14.420  2.4760 -2.750000      4.953000  
1 1 1 1  8  72  o 8.6470  2.4120 3.208000       4.823000  
1 1 1 1  8  73  o 19.820  1.9750 0.7553000      3.950000  
1 1 1 1  8  74  o 8.9580  2.5950 1.260000       5.189000  
1 1 1 1  8  75  o 7.8490  2.4620 1.403000       4.923000  
1 1 1 1  8  76  o 20.870  2.0540 -1.808000      4.109000  
1 1 1 1  8  77  o 9.2000  2.6050 -0.6252000     5.210000  
1 1 1 1  8  78  o 8.7920  2.6020 -1.365000      5.205000  
1 1 1 1  8  79  o 10.950  2.8170 1.152000       5.633000  
1 1 1 1  8  80  o 7.2230  2.3860 -0.4530000     4.772000  
1 1 1 1  8  81  o 20.260  2.4170 -1.237000      4.835000  
1 1 1 1  8  82  o 11.050  2.9240 -1.671000      5.848000  
1 1 1 1  8  83  o 8.2790  2.5790 1.526000       5.159000  
1 1 1 1  8  84  o 5.7300  1.9900 0.8106000      3.980000  
1 1 1 1  8  85  o 7.5030  2.4080 -1.584000      4.816000  
1 1 1 1  8  86  o 6.6440  2.2470 1.417000       4.494000  
1 1 1 1  8  87  o 7.5020  2.4700 1.314000       4.940000  
1 1 1 1  8  88  o 6.9880  2.3510 -0.9686000     4.701000  
1 1 1 1  8  89  o 6.5550  2.2340 -0.5313000     4.468000  
1 1 1 1  8  90  f 6.2720  2.1380 -0.5173000     4.277000  
1 1 1 1  8  91  o 5.6730  1.9680 -1.494000      3.935000  
1 1 1 1  8  92  o 6.2980  2.1380 1.700000       4.276000  
1 1 1 1  8  93  o 5.2040  1.8510 0.5347000      3.702000  
1 1 1 1  8  94  o 5.8460  2.0470 0.8495000E-01  4.094000  
1 1 1 1  8  95  o 6.3700  2.1630 -0.2856000     4.327000  
1 1 1 1  8  96  o 5.9950  2.0340 1.148000       4.067000  
1 1 1 1  8  97  o 4.6200  1.6470 0.9492000      3.295000  
1 1 1 1  8  98  o 3.9990  1.4200 -0.1225000     2.840000  
1 1 1 1  8  99  o 3.9860  1.3980 0.3115000      2.796000  
1 1 1 1  9  0   o 86.530  1.6810 -0.000000      0.000000  
1 1 1 1  9  1   o 68.690  0.9445 -0.1114000     1.889000  
1 1 1 1  9  2   o 77.300  1.0620 -0.7028000     2.124000  
1 1 1 1  9  3   o 95.840  1.3170 0.2696000      2.634000  
1 1 1 1  9  4   o 71.390  0.9819 0.8656000      1.964000  
1 1 1 1  9  5   o 72.040  0.9908 -0.5206000     1.982000  
1 1 1 1  9  6   o 67.190  0.9258 0.1763000      1.852000  
1 1 1 1  9  7   o 50.610  0.6998 0.5461000      1.400000  
1 1 1 1  9  8   o 37.680  0.5274 0.4084000E-01  1.055000  
1 1 1 1  9  9   o 42.820  0.5958 0.9692000      1.192000  
1 1 1 1  9  10  o 9.0760  0.2886 -0.2398000     0.5772000 
1 1 1 1  9  11  o 33.340  0.4723 0.3965000E-01  0.9446000 
1 1 1 1  9  12  o 46.470  0.6459 0.1180000      1.292000  
1 1 1 1  9  13  o 49.170  0.6836 -0.1156000E-01 1.367000  
1 1 1 1  9  14  o 12.970  0.2954 -0.4355000     0.5909000 
1 1 1 1  9  15  o 45.270  0.6310 -0.5422000     1.262000  
1 1 1 1  9  16  o 43.470  0.6075 -0.3252000E-01 1.215000  
1 1 1 1  9  17  o 33.690  0.4811 0.6370000      0.9621000 
1 1 1 1  9  18  o 13.130  0.3159 -0.3740000     0.6318000 
1 1 1 1  9  19  o 53.660  0.8626 -0.8868000     1.725000  
1 1 1 1  9  20  o 15.520  0.4618 1.151000       0.9237000 
1 1 1 1  9  21  o 16.640  0.3683 -0.1300000     0.7366000 
1 1 1 1  9  22  o 47.260  0.7655 -0.2247000E-02 1.531000  
1 1 1 1  9  23  o 9.4320  0.4274 -0.1020000     0.8548000 
1 1 1 1  9  24  o 31.440  0.5333 -0.4538000     1.067000  
1 1 1 1  9  25  o 17.260  0.5086 -0.2291000E-02 1.017000  
1 1 1 1  9  26  o 40.940  0.8299 -0.3206000     1.660000  
1 1 1 1  9  27  o 17.660  0.5260 0.4737000      1.052000  
1 1 1 1  9  28  o 53.300  1.0640 0.6981000      2.128000  
1 1 1 1  9  29  o 35.220  0.7401 0.3191000E-01  1.480000  
1 1 1 1  9  30  o 50.540  1.0160 -0.2241000     2.032000  
1 1 1 1  9  31  o 12.810  0.6339 -1.014000      1.268000  
1 1 1 1  9  32  f 51.280  1.0340 0.7827000      2.069000  
1 1 1 1  9  33  o 42.430  0.8748 -0.1068000E-01 1.750000  
1 1 1 1  9  34  o 25.530  0.6250 -1.711000      1.250000  
1 1 1 1  9  35  o 16.320  0.6510 -0.4528000     1.302000  
1 1 1 1  9  36  o 10.020  1.0260 3.228000       2.053000  
1 1 1 1  9  37  o 54.190  1.0990 0.4335000      2.197000  
1 1 1 1  9  38  o 24.670  0.8405 0.5197000      1.681000  
1 1 1 1  9  39  f 8.1140  1.2750 -0.2619000     2.550000  
1 1 1 1  9  40  o 12.300  0.9197 -2.052000      1.839000  
1 1 1 1  9  41  o 41.440  0.8821 -1.141000      1.764000  
1 1 1 1  9  42  o 35.990  0.8084 0.7969000E-02  1.617000  
1 1 1 1  9  43  o 23.820  0.7176 -0.9303000     1.435000  
1 1 1 1  9  44  o 28.870  0.7444 0.3058000      1.489000  
1 1 1 1  9  45  o 28.980  0.7543 0.7992000      1.509000  
1 1 1 1  9  46  o 33.680  0.8118 -0.8022000     1.624000  
1 1 1 1  9  47  o 35.320  0.8306 -0.5621000     1.661000  
1 1 1 1  9  48  o 27.960  0.7633 0.6512000      1.527000  
1 1 1 1  9  49  o 17.720  0.8915 -0.6570000E-01 1.783000  
1 1 1 1  9  50  o 17.250  0.9724 0.6184000      1.945000  
1 1 1 1  9  51  o 29.070  0.8194 -0.4827000     1.639000  
1 1 1 1  9  52  o 18.220  0.9838 0.7059000      1.968000  
1 1 1 1  9  53  o 34.510  0.8624 -1.139000      1.725000  
1 1 1 1  9  54  o 23.500  0.8636 1.140000       1.727000  
1 1 1 1  9  55  o 22.940  0.8649 -1.426000      1.730000  
1 1 1 1  9  56  o 22.860  0.8643 1.223000       1.729000  
1 1 1 1  9  57  o 23.510  0.9018 1.137000       1.804000  
1 1 1 1  9  58  o 24.060  0.8828 -0.8846000E-01 1.766000  
1 1 1 1  9  59  o 27.750  0.8964 -0.5379000     1.793000  
1 1 1 1  9  60  f 14.420  1.3080 2.319000       2.616000  
1 1 1 1  9  61  f 6.6290  1.8670 0.8265000      3.734000  
1 1 1 1  9  62  o 42.810  0.9968 -0.3944000     1.994000  
1 1 1 1  9  63  o 13.090  1.9360 3.608000       3.873000  
1 1 1 1  9  64  o 23.780  1.1900 -0.2923000     2.379000  
1 1 1 1  9  65  o 8.3600  2.1050 -2.433000      4.210000  
1 1 1 1  9  66  o 15.370  1.7800 4.322000       3.560000  
1 1 1 1  9  67  f 17.330  2.0630 -4.680000      4.127000  
1 1 1 1  9  68  o 17.310  1.9700 -2.307000      3.940000  
1 1 1 1  9  69  o 23.810  1.6900 -4.333000      3.381000  
1 1 1 1  9  70  o 17.870  2.1460 2.543000       4.292000  
1 1 1 1  9  71  o 6.7730  2.1800 -0.6330000     4.360000  
1 1 1 1  9  72  o 16.820  2.3610 4.111000       4.722000  
1 1 1 1  9  73  f 8.4070  2.5120 -0.3485000     5.023000  
1 1 1 1  9  74  o 25.320  1.7580 1.019000       3.515000  
1 1 1 1  9  75  o 8.1960  2.4870 -0.8349000     4.973000  
1 1 1 1  9  76  o 6.4880  2.1790 0.3728000      4.358000  
1 1 1 1  9  77  o 15.800  2.5320 -5.149000      5.063000  
1 1 1 1  9  78  o 8.5450  2.5410 -0.8222000     5.083000  
1 1 1 1  9  79  o 9.9650  2.7550 -3.294000      5.511000  
1 1 1 1  9  80  o 6.0620  2.1000 0.6568000E-01  4.199000  
1 1 1 1  9  81  o 7.5540  2.4640 -0.5519000     4.927000  
1 1 1 1  9  82  o 7.6320  2.4520 -1.244000      4.904000  
1 1 1 1  9  83  o 8.1140  2.5050 -2.492000      5.011000  
1 1 1 1  9  84  o 7.1890  2.3140 3.350000       4.627000  
1 1 1 1  9  85  o 7.0330  2.3270 0.1503000E-01  4.655000  
1 1 1 1  9  86  o 6.1230  2.1260 0.5226000      4.252000  
1 1 1 1  9  87  o 6.4440  2.2130 1.088000       4.427000  
1 1 1 1  9  88  f 6.5140  2.2220 0.9956000      4.444000  
1 1 1 1  9  89  o 5.9980  2.0640 0.3216000      4.127000  
1 1 1 1  9  90  o 5.3130  1.8680 -0.3268000     3.736000  
1 1 1 1  9  91  o 6.1440  2.1020 0.2898000      4.203000  
1 1 1 1  9  92  o 6.3860  2.1850 -0.7618000     4.370000  
1 1 1 1  9  93  o 5.5820  1.9730 -0.1690000     3.947000  
1 1 1 1  9  94  o 5.7450  2.0040 -0.1948000     4.009000  
1 1 1 1  9  95  o 5.2150  1.8210 -1.230000      3.643000  
1 1 1 1  9  96  o 4.3660  1.5610 0.1368000      3.123000  
1 1 1 1  9  97  o 4.7390  1.6500 0.9687000      3.299000  
1 1 1 1  9  98  o 4.6160  1.5780 -1.007000      3.156000  
1 1 1 1  10 0   o 4.0940  1.0280 0.000000       0.000000  
1 1 1 1  10 1   o 37.180  0.5205 0.1724000      1.041000  
1 1 1 1  10 2   o 22.110  0.3337 -0.1562000     0.6674000 
1 1 1 1  10 3   o 9.0350  0.2975 -0.1772000     0.5951000 
1 1 1 1  10 4   o 41.590  0.5793 0.5240000      1.159000  
1 1 1 1  10 5   o 24.920  0.3668 0.5561000E-01  0.7337000 
1 1 1 1  10 6   o 30.850  0.4401 0.1770000E-01  0.8801000 
1 1 1 1  10 7   o 69.520  0.9579 0.7314000      1.916000  
1 1 1 1  10 8   o 49.780  0.6895 0.1514000      1.379000  
1 1 1 1  10 9   o 31.430  0.4506 -0.7311000E-01 0.9012000 
1 1 1 1  10 10  o 42.720  0.5961 0.1972000      1.192000  
1 1 1 1  10 11  o 43.660  0.6093 0.6403000      1.219000  
1 1 1 1  10 12  o 47.270  0.6590 -0.5630000     1.318000  
1 1 1 1  10 13  o 25.300  0.3768 0.6740000E-01  0.7536000 
1 1 1 1  10 14  o 35.730  0.5063 0.7351000      1.013000  
1 1 1 1  10 15  o 37.310  0.5288 -0.2048000E-01 1.058000  
1 1 1 1  10 16  o 52.730  0.7339 0.5849000E-01  1.468000  
1 1 1 1  10 17  o 22.990  0.3582 -0.1877000E-02 0.7164000 
1 1 1 1  10 18  o 21.900  0.3469 0.5150000      0.6938000 
1 1 1 1  10 19  f 23.680  0.3679 0.3382000      0.7359000 
1 1 1 1  10 20  o 46.010  0.6981 -0.9917000     1.396000  
1 1 1 1  10 21  o 38.170  0.6281 -0.5683000     1.256000  
1 1 1 1  10 22  o 31.220  0.5311 -0.2080000E-01 1.062000  
1 1 1 1  10 23  o 42.040  0.6885 -0.3733000     1.377000  
1 1 1 1  10 24  o 33.500  0.5682 -0.4810000     1.136000  
1 1 1 1  10 25  o 17.920  0.3998 -0.1477000     0.7996000 
1 1 1 1  10 26  o 37.700  0.6278 0.1480000      1.256000  
1 1 1 1  10 27  o 24.490  0.4555 0.3804000      0.9110000 
1 1 1 1  10 28  o 20.570  0.4892 0.2164000      0.9783000 
1 1 1 1  10 29  o 20.670  0.5674 0.4908000      1.135000  
1 1 1 1  10 30  o 49.480  1.0010 -0.3950000     2.001000  
1 1 1 1  10 31  o 28.940  0.6540 0.1243000      1.308000  
1 1 1 1  10 32  o 31.730  0.6984 0.7500000      1.397000  
1 1 1 1  10 33  f 15.670  0.6496 -0.3072000     1.299000  
1 1 1 1  10 34  o 18.360  0.6242 0.7526000      1.248000  
1 1 1 1  10 35  o 49.280  1.0030 0.7897000      2.006000  
1 1 1 1  10 36  o 14.310  0.7381 -1.029000      1.476000  
1 1 1 1  10 37  o 22.530  0.6485 0.7354000      1.297000  
1 1 1 1  10 38  o 51.450  1.0470 -0.1135000     2.095000  
1 1 1 1  10 39  o 32.880  0.7481 -1.156000      1.496000  
1 1 1 1  10 40  o 42.670  0.9023 1.227000       1.805000  
1 1 1 1  10 41  o 14.040  0.8788 -0.1415000     1.758000  
1 1 1 1  10 42  o 45.320  0.9554 -1.608000      1.911000  
1 1 1 1  10 43  o 24.800  0.9214 -1.085000      1.843000  
1 1 1 1  10 44  o 38.840  0.8675 0.5117000E-01  1.735000  
1 1 1 1  10 45  o 32.120  0.8032 0.1869000      1.606000  
1 1 1 1  10 46  o 34.560  0.8285 -0.2476000     1.657000  
1 1 1 1  10 47  o 20.920  0.8353 -0.2043000     1.671000  
1 1 1 1  10 48  o 54.330  1.1300 -0.9565000     2.261000  
1 1 1 1  10 49  f 34.880  0.8599 0.2128000      1.720000  
1 1 1 1  10 50  o 25.650  0.8390 -0.1232000     1.678000  
1 1 1 1  10 51  o 12.160  1.3170 -3.042000      2.634000  
1 1 1 1  10 52  o 34.070  0.8549 -0.3361000     1.710000  
1 1 1 1  10 53  o 27.440  0.8226 -0.3647000     1.645000  
1 1 1 1  10 54  o 21.260  0.8951 -0.7642000E-01 1.790000  
1 1 1 1  10 55  o 8.9420  1.5130 5.980000       3.026000  
1 1 1 1  10 56  o 41.150  0.9388 0.2308000      1.878000  
1 1 1 1  10 57  o 22.070  0.9367 0.1131000      1.873000  
1 1 1 1  10 58  o 24.840  0.8853 -0.6746000     1.771000  
1 1 1 1  10 59  o 16.260  1.2020 -2.097000      2.404000  
1 1 1 1  10 60  o 26.600  0.9048 -0.9569000     1.810000  
1 1 1 1  10 61  o 13.510  1.4460 2.405000       2.893000  
1 1 1 1  10 62  o 5.9850  1.7890 0.7336000      3.578000  
1 1 1 1  10 63  o 7.4890  1.9370 1.038000       3.874000  
1 1 1 1  10 64  o 7.8520  1.9350 3.784000       3.870000  
1 1 1 1  10 65  o 22.740  1.0980 -0.1764000     2.196000  
1 1 1 1  10 66  o 15.310  1.5600 -2.642000      3.121000  
1 1 1 1  10 67  o 20.990  1.2470 -0.7860000     2.494000  
1 1 1 1  10 68  o 13.030  2.2720 -0.1077000     4.543000  
1 1 1 1  10 69  o 11.790  2.3290 -0.8818000     4.657000  
1 1 1 1  10 70  o 20.660  1.5470 1.217000       3.094000  
1 1 1 1  10 71  o 15.140  2.1840 -4.482000      4.369000  
1 1 1 1  10 72  o 8.7500  2.5090 -2.316000      5.018000  
1 1 1 1  10 73  o 11.850  2.7080 0.7924000      5.417000  
1 1 1 1  10 74  f 7.9760  2.4510 2.165000       4.902000  
1 1 1 1  10 75  f 7.0850  2.2280 1.907000       4.456000  
1 1 1 1  10 76  o 7.4530  2.3520 -0.2854000     4.704000  
1 1 1 1  10 77  o 9.2670  2.6620 -3.033000      5.324000  
1 1 1 1  10 78  o 7.2820  2.3700 -0.7596000     4.740000  
1 1 1 1  10 79  o 8.9110  2.5940 2.892000       5.187000  
1 1 1 1  10 80  o 9.7130  2.6360 4.528000       5.273000  
1 1 1 1  10 81  o 7.1710  2.3590 0.2204000      4.718000  
1 1 1 1  10 82  o 9.6620  2.6450 0.6356000      5.290000  
1 1 1 1  10 83  o 7.5370  2.3940 -0.5859000     4.787000  
1 1 1 1  10 84  o 6.2700  2.1290 1.806000       4.258000  
1 1 1 1  10 85  o 7.1110  2.3630 1.315000       4.726000  
1 1 1 1  10 86  f 6.7570  2.2790 -2.122000      4.558000  
1 1 1 1  10 87  o 7.3520  2.3640 1.756000       4.727000  
1 1 1 1  10 88  o 6.0200  2.0590 0.7252000      4.118000  
1 1 1 1  10 89  o 6.1880  2.0810 -0.4376000     4.163000  
1 1 1 1  10 90  o 6.6050  2.2070 0.6583000      4.414000  
1 1 1 1  10 91  o 6.6090  2.2140 1.505000       4.428000  
1 1 1 1  10 92  o 6.9030  2.2790 1.720000       4.558000  
1 1 1 1  10 93  o 6.0240  2.0770 -1.914000      4.155000  
1 1 1 1  10 94  o 5.7870  1.9760 -0.5102000     3.952000  
1 1 1 1  10 95  o 5.2400  1.8190 0.1553000E-01  3.638000  
1 1 1 1  10 96  o 4.5410  1.5990 -0.1121000     3.198000  
1 1 1 1  10 97  o 4.6460  1.6020 -1.002000      3.203000  
1 1 1 1  11 0   o 78.460  1.5280 0.000000       0.000000  
1 1 1 1  11 1   o 48.360  0.6714 0.1105000      1.343000  
1 1 1 1  11 2   f 16.950  0.2890 0.4309000      0.5779000 
1 1 1 1  11 3   o 23.080  0.3458 -0.3330000     0.6916000 
1 1 1 1  11 4   o 46.250  0.6425 0.6682000      1.285000  
1 1 1 1  11 5   o 43.320  0.6039 -0.3955000     1.208000  
1 1 1 1  11 6   o 34.320  0.4859 -1.202000      0.9718000 
1 1 1 1  11 7   o 34.380  0.4865 0.3401000      0.9730000 
1 1 1 1  11 8   o 40.340  0.5653 1.051000       1.131000  
1 1 1 1  11 9   o 20.600  0.3256 0.8896000      0.6512000 
1 1 1 1  11 10  o 12.460  0.2852 0.1402000      0.5704000 
1 1 1 1  11 11  o 26.520  0.3915 -0.3310000     0.7831000 
1 1 1 1  11 12  o 30.270  0.4374 0.5425000      0.8748000 
1 1 1 1  11 13  o 34.080  0.4873 -0.3064000     0.9745000 
1 1 1 1  11 14  o 26.610  0.3960 0.7544000E-02  0.7920000 
1 1 1 1  11 15  o 23.030  0.3584 0.2490000      0.7169000 
1 1 1 1  11 16  o 27.040  0.4036 0.6362000E-01  0.8071000 
1 1 1 1  11 17  o 25.530  0.3860 0.1670000      0.7720000 
1 1 1 1  11 18  o 20.110  0.3352 -0.4405000E-01 0.6704000 
1 1 1 1  11 19  o 15.230  0.3129 0.7002000      0.6257000 
1 1 1 1  11 20  o 23.090  0.3681 -0.4004000     0.7362000 
1 1 1 1  11 21  o 46.090  0.6495 0.3976000E-01  1.299000  
1 1 1 1  11 22  o 44.230  0.6751 1.237000       1.350000  
1 1 1 1  11 23  o 40.400  0.6652 0.4075000      1.330000  
1 1 1 1  11 24  o 23.710  0.4424 0.8892000      0.8847000 
1 1 1 1  11 25  o 16.540  0.3981 -0.2152000     0.7963000 
1 1 1 1  11 26  o 35.480  0.5976 -0.2949000E-01 1.195000  
1 1 1 1  11 27  o 65.390  1.0560 0.6670000E-01  2.112000  
1 1 1 1  11 28  f 23.770  0.5024 -0.4263000     1.005000  
1 1 1 1  11 29  o 29.670  0.5313 -0.2676000     1.063000  
1 1 1 1  11 30  o 22.900  0.4643 0.4531000      0.9286000 
1 1 1 1  11 31  o 13.930  0.4848 0.2274000      0.9695000 
1 1 1 1  11 32  o 40.940  0.7693 -1.458000      1.539000  
1 1 1 1  11 33  o 22.910  0.6249 0.8049000      1.250000  
1 1 1 1  11 34  o 38.000  0.8064 0.7097000      1.613000  
1 1 1 1  11 35  o 24.880  0.6496 1.149000       1.299000  
1 1 1 1  11 36  o 26.870  0.6789 0.9240000      1.358000  
1 1 1 1  11 37  o 14.300  0.7862 -0.2874000     1.572000  
1 1 1 1  11 38  o 36.950  0.8055 -0.8944000     1.611000  
1 1 1 1  11 39  o 30.970  0.7401 0.2368000      1.480000  
1 1 1 1  11 40  o 18.020  0.7473 -0.9395000     1.495000  
1 1 1 1  11 41  f 38.540  0.8527 0.1519000      1.705000  
1 1 1 1  11 42  o 74.900  1.5010 2.460000       3.002000  
1 1 1 1  11 43  o 15.460  0.9204 0.3379000      1.841000  
1 1 1 1  11 44  o 71.740  1.7730 0.6564000      3.545000  
1 1 1 1  11 45  o 19.860  0.8528 0.3864000      1.706000  
1 1 1 1  11 46  o 21.430  0.8407 -0.6662000     1.681000  
1 1 1 1  11 47  o 51.890  1.0950 -0.4460000     2.189000  
1 1 1 1  11 48  o 40.510  0.9283 -0.2217000     1.857000  
1 1 1 1  11 49  o 27.860  0.8341 -1.362000      1.668000  
1 1 1 1  11 50  o 14.660  1.1520 1.387000       2.304000  
1 1 1 1  11 51  o 32.250  0.8393 -0.7581000     1.679000  
1 1 1 1  11 52  o 46.820  1.0180 -1.112000      2.037000  
1 1 1 1  11 53  o 55.470  1.1590 -1.198000      2.318000  
1 1 1 1  11 54  o 5.9960  1.6890 -1.258000      3.378000  
1 1 1 1  11 55  o 14.690  1.1760 0.4751000      2.351000  
1 1 1 1  11 56  o 11.640  1.5160 -0.8866000     3.032000  
1 1 1 1  11 57  o 8.6630  1.7620 3.535000       3.524000  
1 1 1 1  11 58  o 10.670  1.6710 1.622000       3.342000  
1 1 1 1  11 59  o 12.680  1.5350 0.5903000      3.070000  
1 1 1 1  11 60  o 33.190  0.9185 -1.044000      1.837000  
1 1 1 1  11 61  o 13.320  1.5590 -2.883000      3.118000  
1 1 1 1  11 62  o 18.630  1.2170 -2.522000      2.434000  
1 1 1 1  11 63  o 13.090  1.6650 2.552000       3.330000  
1 1 1 1  11 64  o 7.0460  1.9860 -1.551000      3.973000  
1 1 1 1  11 65  o 25.740  1.0800 -0.1500000     2.159000  
1 1 1 1  11 66  o 31.330  1.0580 0.6885000      2.115000  
1 1 1 1  11 67  o 9.3810  2.1450 -1.240000      4.289000  
1 1 1 1  11 68  o 9.9000  2.0930 -3.349000      4.185000  
1 1 1 1  11 69  o 8.8440  2.2470 -0.2612000     4.494000  
1 1 1 1  11 70  o 8.2080  2.2140 0.7543000E-02  4.428000  
1 1 1 1  11 71  f 14.150  1.9070 -1.877000      3.813000  
1 1 1 1  11 72  o 6.1120  1.9510 0.7437000E-01  3.903000  
1 1 1 1  11 73  o 6.8960  2.1430 0.7357000      4.286000  
1 1 1 1  11 74  o 8.6040  2.4420 0.3207000      4.885000  
1 1 1 1  11 75  o 11.070  2.5790 3.079000       5.158000  
1 1 1 1  11 76  o 9.0450  2.5830 -0.4415000     5.167000  
1 1 1 1  11 77  o 9.3550  2.7180 -0.2412000     5.436000  
1 1 1 1  11 78  o 8.7010  2.6540 -1.274000      5.309000  
1 1 1 1  11 79  o 9.6710  2.6520 1.993000       5.305000  
1 1 1 1  11 80  o 6.9400  2.2860 0.6888000      4.572000  
1 1 1 1  11 81  o 8.1630  2.5040 2.877000       5.009000  
1 1 1 1  11 82  o 7.1070  2.2500 1.522000       4.501000  
1 1 1 1  11 83  o 6.6310  2.2020 1.212000       4.404000  
1 1 1 1  11 84  o 6.6240  2.2410 0.4649000      4.483000  
1 1 1 1  11 85  o 7.7290  2.5070 2.092000       5.015000  
1 1 1 1  11 86  o 7.0250  2.3120 -0.3532000     4.623000  
1 1 1 1  11 87  o 7.0010  2.2560 0.6740000      4.512000  
1 1 1 1  11 88  o 6.2570  2.1110 0.7367000      4.223000  
1 1 1 1  11 89  o 6.8330  2.2340 -2.618000      4.468000  
1 1 1 1  11 90  o 5.4230  1.9050 0.4947000E-02  3.810000  
1 1 1 1  11 91  o 5.5420  1.9310 0.4307000      3.862000  
1 1 1 1  11 92  o 6.1610  2.0920 0.6260000E-02  4.184000  
1 1 1 1  11 93  o 4.6300  1.6430 0.6217000      3.286000  
1 1 1 1  11 94  o 4.8420  1.7110 0.8159000E-01  3.423000  
1 1 1 1  11 95  o 4.4720  1.5910 0.7606000      3.181000  
1 1 1 1  11 96  o 4.8690  1.6760 0.1656000      3.352000  
1 1 1 1  12 0   o 33.520  0.6727 -0.000000      0.000000  
1 1 1 1  12 1   o 30.130  0.4716 2.292000       0.9433000 
1 1 1 1  12 2   o 73.460  1.0150 0.2743000      2.031000  
1 1 1 1  12 3   f 33.830  0.5235 0.8441000      1.047000  
1 1 1 1  12 4   o 61.890  0.8564 -0.7121000E-01 1.713000  
1 1 1 1  12 5   o 57.130  0.7916 -0.1749000     1.583000  
1 1 1 1  12 6   o 34.610  0.4911 0.6477000E-01  0.9822000 
1 1 1 1  12 7   o 21.360  0.3370 -0.1807000     0.6741000 
1 1 1 1  12 8   f 17.960  0.3345 0.1590000      0.6691000 
1 1 1 1  12 9   o 78.430  1.0880 0.4732000      2.175000  
1 1 1 1  12 10  o 26.940  0.5141 0.2172000      1.028000  
1 1 1 1  12 11  o 44.070  0.6175 0.8324000      1.235000  
1 1 1 1  12 12  o 17.920  0.3648 0.4039000      0.7296000 
1 1 1 1  12 13  o 43.030  0.6052 0.6114000      1.210000  
1 1 1 1  12 14  o 14.800  0.3051 -0.9238000E-01 0.6103000 
1 1 1 1  12 15  o 24.670  0.3790 -0.3114000     0.7581000 
1 1 1 1  12 16  o 21.890  0.3526 -0.9901000E-02 0.7052000 
1 1 1 1  12 17  o 34.570  0.4969 -0.6865000E-01 0.9938000 
1 1 1 1  12 18  o 38.700  0.5511 -0.3410000     1.102000  
1 1 1 1  12 19  o 7.7720  0.4344 -0.1054000     0.8688000 
1 1 1 1  12 20  f 25.030  0.3933 -0.5013000     0.7866000 
1 1 1 1  12 21  o 38.440  0.5486 0.2435000      1.097000  
1 1 1 1  12 22  o 26.710  0.4094 0.4303000      0.8189000 
1 1 1 1  12 23  o 43.270  0.6633 0.6646000      1.327000  
1 1 1 1  12 24  o 44.720  0.7323 -0.8591000     1.465000  
1 1 1 1  12 25  o 28.610  0.5104 -0.2369000     1.021000  
1 1 1 1  12 26  o 32.930  0.5669 0.8073000      1.134000  
1 1 1 1  12 27  o 27.340  0.4980 -0.6000000     0.9961000 
1 1 1 1  12 28  o 27.540  0.5051 -0.2730000     1.010000  
1 1 1 1  12 29  f 30.580  0.5418 0.1057000      1.084000  
1 1 1 1  12 30  o 36.390  0.6229 1.153000       1.246000  
1 1 1 1  12 31  o 12.180  0.5102 0.6262000      1.020000  
1 1 1 1  12 32  o 31.170  0.5592 -0.6515000     1.118000  
1 1 1 1  12 33  o 45.720  0.8495 0.1952000      1.699000  
1 1 1 1  12 34  o 13.130  0.5420 0.3663000      1.084000  
1 1 1 1  12 35  o 64.090  1.1650 -0.8078000     2.329000  
1 1 1 1  12 36  o 24.860  0.6770 0.5445000      1.354000  
1 1 1 1  12 37  o 39.530  0.8456 -0.8525000     1.691000  
1 1 1 1  12 38  o 18.560  0.7243 1.016000       1.449000  
1 1 1 1  12 39  o 47.130  0.9824 0.1978000      1.965000  
1 1 1 1  12 40  o 48.330  1.0080 0.1624000      2.015000  
1 1 1 1  12 41  o 41.670  0.9027 1.162000       1.805000  
1 1 1 1  12 42  o 14.510  0.9725 0.2512000      1.945000  
1 1 1 1  12 43  o 29.040  0.7811 0.3997000      1.562000  
1 1 1 1  12 44  f 24.150  0.7941 -1.147000      1.588000  
1 1 1 1  12 45  o 8.6370  1.6330 -2.570000      3.266000  
1 1 1 1  12 46  o 23.300  0.8282 1.434000       1.656000  
1 1 1 1  12 47  o 17.730  0.9394 -2.041000      1.879000  
1 1 1 1  12 48  f 7.1100  1.6990 1.049000       3.398000  
1 1 1 1  12 49  o 15.970  1.0060 -2.508000      2.012000  
1 1 1 1  12 50  o 9.0010  1.6050 -0.7152000     3.209000  
1 1 1 1  12 51  o 36.970  0.8905 -1.215000      1.781000  
1 1 1 1  12 52  o 32.570  0.8618 -2.471000      1.724000  
1 1 1 1  12 53  o 27.210  0.8440 -1.545000      1.688000  
1 1 1 1  12 54  o 16.560  1.1050 1.128000       2.209000  
1 1 1 1  12 55  o 29.490  0.8651 1.309000       1.730000  
1 1 1 1  12 56  o 6.5080  1.8100 -0.3339000     3.620000  
1 1 1 1  12 57  o 26.470  0.9040 -1.421000      1.808000  
1 1 1 1  12 58  o 13.070  1.5030 -0.2864000     3.007000  
1 1 1 1  12 59  o 15.250  1.2960 1.733000       2.591000  
1 1 1 1  12 60  o 13.160  1.5480 -0.7466000     3.097000  
1 1 1 1  12 61  o 18.090  1.2070 1.851000       2.414000  
1 1 1 1  12 62  o 20.570  1.1400 1.166000       2.280000  
1 1 1 1  12 63  f 10.240  2.0340 0.9825000      4.069000  
1 1 1 1  12 64  o 25.650  1.0870 -2.195000      2.175000  
1 1 1 1  12 65  f 6.1280  1.8980 -0.9802000E-01 3.795000  
1 1 1 1  12 66  o 18.650  1.3450 -2.009000      2.690000  
1 1 1 1  12 67  o 6.4440  1.9540 1.048000       3.908000  
1 1 1 1  12 68  o 6.9420  2.0060 -2.868000      4.012000  
1 1 1 1  12 69  o 9.2960  2.2490 -1.796000      4.498000  
1 1 1 1  12 70  o 6.7740  2.0480 1.252000       4.095000  
1 1 1 1  12 71  o 9.9370  2.0550 -6.485000      4.109000  
1 1 1 1  12 72  f 6.4770  2.0340 0.8032000      4.069000  
1 1 1 1  12 73  o 11.570  2.2510 -0.3544000     4.502000  
1 1 1 1  12 74  o 7.4970  2.1300 2.067000       4.260000  
1 1 1 1  12 75  o 6.7600  2.0990 1.884000       4.197000  
1 1 1 1  12 76  o 9.7160  2.3420 -3.794000      4.683000  
1 1 1 1  12 77  o 6.3660  2.1160 0.1454000      4.232000  
1 1 1 1  12 78  o 6.2680  2.1030 1.055000       4.207000  
1 1 1 1  12 79  o 6.4870  2.0500 -1.731000      4.099000  
1 1 1 1  12 80  o 10.980  2.7880 -1.882000      5.576000  
1 1 1 1  12 81  o 7.2910  2.3740 0.6272000      4.748000  
1 1 1 1  12 82  o 9.0340  2.5650 3.087000       5.130000  
1 1 1 1  12 83  o 6.4110  2.1750 0.6560000      4.349000  
1 1 1 1  12 84  o 8.1750  2.5380 -3.325000      5.075000  
1 1 1 1  12 85  o 5.6240  1.9530 -0.3302000     3.906000  
1 1 1 1  12 86  o 6.1470  2.0650 -1.059000      4.130000  
1 1 1 1  12 87  o 5.2210  1.8280 -0.5659000     3.656000  
1 1 1 1  12 88  f 5.6950  1.9780 -0.6543000     3.957000  
1 1 1 1  12 89  o 5.5740  1.9420 -0.2602000     3.884000  
1 1 1 1  12 90  o 5.5950  1.9330 0.7466000      3.867000  
1 1 1 1  12 91  o 5.2280  1.8350 0.2983000      3.670000  
1 1 1 1  12 92  o 4.5290  1.6160 -0.2379000     3.232000  
1 1 1 1  12 93  o 5.3770  1.8680 -1.284000      3.735000  
1 1 1 1  12 94  o 4.1660  1.4890 -0.1128000     2.979000  
1 1 1 1  12 95  o 4.1100  1.4670 -0.5219000     2.935000  
1 1 1 1  13 0   o 35.480  0.7112 -0.000000      0.000000  
1 1 1 1  13 1   o 19.250  0.3194 0.7844000E-01  0.6389000 
1 1 1 1  13 2   o 6.0870  0.4590 -0.3695000     0.9181000 
1 1 1 1  13 3   o 10.780  0.3104 0.3212000      0.6208000 
1 1 1 1  13 4   o 39.140  0.5517 0.2671000      1.103000  
1 1 1 1  13 5   o 41.680  0.5850 0.1058000      1.170000  
1 1 1 1  13 6   o 39.520  0.5587 1.215000       1.117000  
1 1 1 1  13 7   o 58.350  0.8104 -0.6321000     1.621000  
1 1 1 1  13 8   o 22.680  0.4122 -0.7408000     0.8244000 
1 1 1 1  13 9   o 20.650  0.3372 0.1702000      0.6743000 
1 1 1 1  13 10  o 50.810  0.7082 0.2894000E-01  1.416000  
1 1 1 1  13 11  o 41.720  0.5889 -0.1610000     1.178000  
1 1 1 1  13 12  o 19.110  0.3804 -0.5750000     0.7607000 
1 1 1 1  13 13  o 18.840  0.3272 0.3358000E-01  0.6544000 
1 1 1 1  13 14  o 16.450  0.3200 0.3914000      0.6401000 
1 1 1 1  13 15  o 17.970  0.3256 0.5684000E-01  0.6512000 
1 1 1 1  13 16  o 32.030  0.4682 -0.2747000     0.9364000 
1 1 1 1  13 17  o 49.230  0.6911 -0.2400000     1.382000  
1 1 1 1  13 18  o 15.920  0.3289 0.7632000      0.6579000 
1 1 1 1  13 19  o 44.400  0.6272 -0.9713000E-01 1.254000  
1 1 1 1  13 20  o 21.120  0.3872 -0.8148000     0.7745000 
1 1 1 1  13 21  o 3.6110  0.8007 1.793000       1.601000  
1 1 1 1  13 22  o 19.400  0.3525 -0.1870000     0.7050000 
1 1 1 1  13 23  o 9.5760  0.4136 -1.003000      0.8272000 
1 1 1 1  13 24  f 31.480  0.4703 -0.2129000E-01 0.9405000 
1 1 1 1  13 25  o 15.920  0.4240 -0.3944000     0.8481000 
1 1 1 1  13 26  o 27.440  0.5022 1.444000       1.004000  
1 1 1 1  13 27  o 21.360  0.4525 -0.2756000     0.9049000 
1 1 1 1  13 28  o 25.300  0.4833 -0.3395000     0.9666000 
1 1 1 1  13 29  o 10.400  0.5646 0.4150000      1.129000  
1 1 1 1  13 30  o 15.910  0.4621 1.269000       0.9242000 
1 1 1 1  13 31  o 58.620  0.9508 -0.4828000     1.902000  
1 1 1 1  13 32  o 30.060  0.5564 0.2939000      1.113000  
1 1 1 1  13 33  o 27.760  0.5325 -0.1553000     1.065000  
1 1 1 1  13 34  o 31.110  0.5684 0.3885000      1.137000  
1 1 1 1  13 35  o 5.5190  1.0280 1.158000       2.057000  
1 1 1 1  13 36  o 9.2560  0.7383 -0.7143000     1.477000  
1 1 1 1  13 37  o 10.160  0.7129 -0.8030000     1.426000  
1 1 1 1  13 38  o 29.920  0.5688 -0.1852000     1.138000  
1 1 1 1  13 39  o 25.090  0.6238 0.4539000      1.248000  
1 1 1 1  13 40  o 18.170  0.7853 -0.1075000     1.571000  
1 1 1 1  13 41  o 22.900  0.7488 0.4418000      1.498000  
1 1 1 1  13 42  o 16.020  0.9411 -2.101000      1.882000  
1 1 1 1  13 43  o 46.110  0.9966 -0.2334000E-01 1.993000  
1 1 1 1  13 44  o 8.2300  1.6510 1.124000       3.301000  
1 1 1 1  13 45  o 19.720  0.8798 0.5689000      1.760000  
1 1 1 1  13 46  o 12.180  1.2040 -0.4329000     2.409000  
1 1 1 1  13 47  o 14.050  1.0940 0.4732000E-01  2.188000  
1 1 1 1  13 48  o 24.020  0.8317 1.661000       1.663000  
1 1 1 1  13 49  o 18.320  0.9313 1.684000       1.863000  
1 1 1 1  13 50  o 28.330  0.8378 -0.5994000     1.676000  
1 1 1 1  13 51  o 36.300  0.8904 0.4415000      1.781000  
1 1 1 1  13 52  o 31.100  0.8574 1.399000       1.715000  
1 1 1 1  13 53  o 25.780  0.8766 0.9348000      1.753000  
1 1 1 1  13 54  o 15.100  1.1720 0.9247000      2.344000  
1 1 1 1  13 55  o 28.180  1.1090 -1.839000      2.219000  
1 1 1 1  13 56  o 27.250  0.8905 0.1729000      1.781000  
1 1 1 1  13 57  o 10.910  1.7630 4.075000       3.525000  
1 1 1 1  13 58  o 17.410  1.1950 0.1163000      2.390000  
1 1 1 1  13 59  o 14.420  1.4800 3.307000       2.961000  
1 1 1 1  13 60  f 16.850  1.2760 -0.7966000     2.553000  
1 1 1 1  13 61  o 8.3160  2.1780 -1.420000      4.356000  
1 1 1 1  13 62  o 15.530  1.4820 -2.365000      2.964000  
1 1 1 1  13 63  o 10.510  1.9530 4.780000       3.906000  
1 1 1 1  13 64  o 10.980  2.0190 0.2987000      4.038000  
1 1 1 1  13 65  o 6.5510  1.9840 -0.7178000     3.967000  
1 1 1 1  13 66  o 10.840  2.1380 2.467000       4.276000  
1 1 1 1  13 67  f 6.5090  2.0000 -0.6809000     4.000000  
1 1 1 1  13 68  f 7.6660  2.1460 -1.088000      4.293000  
1 1 1 1  13 69  o 11.310  2.1700 0.4398000      4.340000  
1 1 1 1  13 70  o 9.2720  3.2100 ?              ?         
1 1 1 1  13 71  o 7.3810  2.0380 3.709000       4.077000  
1 1 1 1  13 72  o 7.7300  2.2100 0.9268000      4.421000  
1 1 1 1  13 73  f 6.7030  2.0910 -0.3834000     4.183000  
1 1 1 1  13 74  o 5.8730  1.9390 -1.323000      3.879000  
1 1 1 1  13 75  o 6.2720  2.0440 0.6100000E-01  4.088000  
1 1 1 1  13 76  o 14.440  2.0640 -1.648000      4.128000  
1 1 1 1  13 77  o 7.1750  2.1610 -2.923000      4.322000  
1 1 1 1  13 78  o 7.7470  2.2480 0.6016000      4.496000  
1 1 1 1  13 79  o 6.0370  1.9610 -0.5620000     3.922000  
1 1 1 1  13 80  f 7.0290  2.1320 1.950000       4.264000  
1 1 1 1  13 81  o 8.8840  2.3960 -2.379000      4.792000  
1 1 1 1  13 82  o 7.0660  2.2560 0.8776000      4.511000  
1 1 1 1  13 83  o 6.2580  2.0930 1.608000       4.187000  
1 1 1 1  13 84  o 6.0750  2.0040 -0.5136000     4.007000  
1 1 1 1  13 85  o 6.0870  2.0360 0.3066000E-01  4.072000  
1 1 1 1  13 86  o 5.4930  1.9070 -0.9187000     3.814000  
1 1 1 1  13 87  o 5.8060  2.0090 -1.735000      4.019000  
1 1 1 1  13 88  o 6.4070  2.1340 0.6717000      4.269000  
1 1 1 1  13 89  o 6.0200  2.0660 0.6927000      4.133000  
1 1 1 1  13 90  o 4.8620  1.7330 -0.5530000     3.465000  
1 1 1 1  13 91  o 5.3700  1.8820 -1.290000      3.764000  
1 1 1 1  13 92  o 4.8120  1.7060 0.4374000      3.412000  
1 1 1 1  13 93  o 4.0270  1.4400 -0.1131000     2.880000  
1 1 1 1  13 94  o 5.1160  1.7530 2.209000       3.506000  
1 1 1 1  14 0   o 15.420  0.4315 -0.000000      0.000000  
1 1 1 1  14 1   o 24.270  0.3722 -0.2675000     0.7444000 
1 1 1 1  14 2   o 34.830  0.4987 -1.188000      0.9975000 
1 1 1 1  14 3   o 56.770  0.7896 0.1007000      1.579000  
1 1 1 1  14 4   o 10.530  0.4939 4.464000       0.9877000 
1 1 1 1  14 5   o 40.620  0.5724 -0.3869000     1.145000  
1 1 1 1  14 6   o 17.020  0.3434 1.310000       0.6868000 
1 1 1 1  14 7   o 6.2350  0.5451 -0.9051000     1.090000  
1 1 1 1  14 8   o 31.510  0.4568 -0.1093000     0.9136000 
1 1 1 1  14 9   o 28.710  0.4258 -0.2768000     0.8515000 
1 1 1 1  14 10  o 26.490  0.4011 0.7891000      0.8021000 
1 1 1 1  14 11  o 42.580  0.6003 -0.4186000     1.201000  
1 1 1 1  14 12  o 23.230  0.4264 -0.5454000     0.8528000 
1 1 1 1  14 13  o 4.6830  0.9136 0.3164000      1.827000  
1 1 1 1  14 14  o 33.020  0.4806 -0.2963000E-01 0.9611000 
1 1 1 1  14 15  f 42.830  0.6064 0.3662000      1.213000  
1 1 1 1  14 16  o 54.860  0.7681 0.5899000      1.536000  
1 1 1 1  14 17  o 43.410  0.6649 -0.8281000     1.330000  
1 1 1 1  14 18  o 16.960  0.4155 -1.130000      0.8309000 
1 1 1 1  14 19  o 38.420  0.5519 0.1299000      1.104000  
1 1 1 1  14 20  o 12.600  0.4295 -0.8784000     0.8591000 
1 1 1 1  14 21  o 22.050  0.3781 -0.5204000     0.7563000 
1 1 1 1  14 22  o 10.400  0.4319 -0.1791000     0.8639000 
1 1 1 1  14 23  o 38.560  0.5595 0.6852000      1.119000  
1 1 1 1  14 24  o 37.570  0.5463 0.1347000      1.093000  
1 1 1 1  14 25  o 8.8620  0.4990 -0.4380000     0.9979000 
1 1 1 1  14 26  o 34.250  0.5511 0.1300000E-01  1.102000  
1 1 1 1  14 27  o 24.820  0.4841 0.1257000      0.9682000 
1 1 1 1  14 28  o 24.890  0.4853 0.2486000      0.9706000 
1 1 1 1  14 29  o 23.630  0.4822 -0.4811000     0.9643000 
1 1 1 1  14 30  o 21.920  0.4793 -0.4802000     0.9586000 
1 1 1 1  14 31  o 24.840  0.5031 -0.1384000     1.006000  
1 1 1 1  14 32  o 15.090  0.5135 0.7341000      1.027000  
1 1 1 1  14 33  o 19.700  0.5905 1.265000       1.181000  
1 1 1 1  14 34  o 37.800  0.6587 0.5303000      1.317000  
1 1 1 1  14 35  o 37.100  0.6471 0.2504000      1.294000  
1 1 1 1  14 36  f 39.680  0.6864 1.090000       1.373000  
1 1 1 1  14 37  o 50.910  0.8455 -0.8548000     1.691000  
1 1 1 1  14 38  o 28.050  0.5691 -1.058000      1.138000  
1 1 1 1  14 39  o 31.330  0.6016 1.010000       1.203000  
1 1 1 1  14 40  o 32.790  0.6225 -0.8375000E-01 1.245000  
1 1 1 1  14 41  o 30.100  0.6077 -0.4871000     1.215000  
1 1 1 1  14 42  o 30.940  0.6173 0.7606000      1.235000  
1 1 1 1  14 43  o 21.980  0.6999 -1.138000      1.400000  
1 1 1 1  14 44  o 11.390  1.2900 0.9399000      2.580000  
1 1 1 1  14 45  o 36.700  0.8511 0.6137000      1.702000  
1 1 1 1  14 46  o 15.480  1.0190 0.1777000      2.037000  
1 1 1 1  14 47  o 15.840  1.0040 1.205000       2.009000  
1 1 1 1  14 48  o 45.460  0.9870 0.2466000      1.974000  
1 1 1 1  14 49  o 35.860  0.8798 -0.7906000     1.760000  
1 1 1 1  14 50  o 16.640  1.0630 -0.4380000     2.126000  
1 1 1 1  14 51  o 39.450  0.9222 -0.4675000E-01 1.844000  
1 1 1 1  14 52  o 8.5230  1.8640 0.8813000      3.728000  
1 1 1 1  14 53  o 16.750  1.1220 0.8561000      2.244000  
1 1 1 1  14 54  o 9.8560  1.7670 -3.291000      3.534000  
1 1 1 1  14 55  o 5.8150  1.7470 -0.2736000E-01 3.494000  
1 1 1 1  14 56  o 7.0150  1.8660 1.288000       3.731000  
1 1 1 1  14 57  o 12.780  1.5720 -2.361000      3.144000  
1 1 1 1  14 58  o 6.9660  2.6620 ?              ?         
1 1 1 1  14 59  o 13.630  1.5370 -0.9947000     3.074000  
1 1 1 1  14 60  o 8.0070  2.0160 -1.207000      4.032000  
1 1 1 1  14 61  o 14.040  1.6140 -0.2348000     3.228000  
1 1 1 1  14 62  o 8.6040  2.2090 -0.7985000E-01 4.418000  
1 1 1 1  14 63  o 5.7250  1.7920 -0.2312000     3.584000  
1 1 1 1  14 64  o 7.7710  2.0950 0.5029000      4.189000  
1 1 1 1  14 65  o 6.8510  2.0030 0.6082000      4.006000  
1 1 1 1  14 66  o 6.1050  1.8860 0.1887000      3.772000  
1 1 1 1  14 67  o 6.5170  2.0640 0.6659000      4.128000  
1 1 1 1  14 68  o 12.400  1.9680 -6.492000      3.935000  
1 1 1 1  14 69  o 6.6700  1.9750 1.515000       3.950000  
1 1 1 1  14 70  o 9.3380  2.1350 4.545000       4.270000  
1 1 1 1  14 71  o 10.060  2.2210 1.484000       4.441000  
1 1 1 1  14 72  o 11.250  2.3280 -0.8130000     4.657000  
1 1 1 1  14 73  o 6.1500  1.9710 -0.5066000     3.942000  
1 1 1 1  14 74  o 13.900  2.1360 3.935000       4.272000  
1 1 1 1  14 75  o 6.1030  1.9810 -0.2034000     3.962000  
1 1 1 1  14 76  o 7.1650  2.1530 -2.069000      4.306000  
1 1 1 1  14 77  o 6.6980  2.0870 0.3283000      4.175000  
1 1 1 1  14 78  f 8.1520  2.1840 -1.728000      4.368000  
1 1 1 1  14 79  o 5.5500  1.8620 0.5443000      3.723000  
1 1 1 1  14 80  o 5.9400  1.9350 -2.387000      3.870000  
1 1 1 1  14 81  o 6.5750  2.0620 -2.018000      4.123000  
1 1 1 1  14 82  o 6.4080  2.0240 -1.867000      4.049000  
1 1 1 1  14 83  o 5.2740  1.7810 -0.2276000     3.563000  
1 1 1 1  14 84  o 6.3320  1.9940 -0.5541000E-03 3.988000  
1 1 1 1  14 85  o 5.7480  1.8920 -1.116000      3.783000  
1 1 1 1  14 86  o 6.6930  2.1480 -0.6941000     4.296000  
1 1 1 1  14 87  o 6.6990  2.1530 0.1896000      4.306000  
1 1 1 1  14 88  o 4.8670  1.7110 0.4953000      3.422000  
1 1 1 1  14 89  o 4.8190  1.7240 1.079000       3.448000  
1 1 1 1  14 90  o 4.5880  1.6520 -0.9047000     3.304000  
1 1 1 1  14 91  o 4.6860  1.6590 0.4731000      3.319000  
1 1 1 1  14 92  f 4.4970  1.5820 0.6671000      3.164000  
1 1 1 1  15 0   o 29.130  0.6120 -0.000000      0.000000  
1 1 1 1  15 1   o 28.040  0.4163 0.7915000E-02  0.8327000 
1 1 1 1  15 2   o 12.680  0.3963 -4.705000      0.7926000 
1 1 1 1  15 3   o 31.350  0.4562 0.6597000      0.9124000 
1 1 1 1  15 4   o 5.2130  0.7270 -1.575000      1.454000  
1 1 1 1  15 5   f 10.470  0.3589 0.4591000E-01  0.7179000 
1 1 1 1  15 6   o 16.450  0.3211 0.6627000E-01  0.6421000 
1 1 1 1  15 7   o 11.320  0.4964 -5.412000      0.9928000 
1 1 1 1  15 8   o 37.230  0.5314 0.1620000      1.063000  
1 1 1 1  15 9   o 33.460  0.4848 1.746000       0.9696000 
1 1 1 1  15 10  o 31.150  0.5902 -0.8460000     1.180000  
1 1 1 1  15 11  o 8.4440  0.6280 0.4422000      1.256000  
1 1 1 1  15 12  o 46.280  0.6517 -0.2822000E-01 1.303000  
1 1 1 1  15 13  o 22.890  0.4049 0.1081000      0.8097000 
1 1 1 1  15 14  o 9.8190  0.5753 0.1184000      1.151000  
1 1 1 1  15 15  f 53.320  0.7472 0.6597000      1.494000  
1 1 1 1  15 16  o 16.650  0.4505 1.195000       0.9011000 
1 1 1 1  15 17  o 40.190  0.5751 -0.5180000E-02 1.150000  
1 1 1 1  15 18  o 32.070  0.5541 -1.576000      1.108000  
1 1 1 1  15 19  o 25.330  0.4735 0.2475000      0.9471000 
1 1 1 1  15 20  o 51.730  0.7271 0.3631000      1.454000  
1 1 1 1  15 21  o 61.010  0.8527 -0.5911000     1.705000  
1 1 1 1  15 22  o 32.550  0.4897 -0.2878000     0.9794000 
1 1 1 1  15 23  o 5.4160  0.8573 -1.877000      1.715000  
1 1 1 1  15 24  o 9.4240  0.4927 0.1144000      0.9855000 
1 1 1 1  15 25  o 31.280  0.4767 0.2177000E-01  0.9534000 
1 1 1 1  15 26  o 30.260  0.4706 -0.5468000E-01 0.9411000 
1 1 1 1  15 27  o 10.490  0.5272 -0.7677000E-01 1.054000  
1 1 1 1  15 28  o 7.8260  0.6594 -0.5572000     1.319000  
1 1 1 1  15 29  o 27.720  0.5228 -0.1871000     1.046000  
1 1 1 1  15 30  o 34.630  0.6101 0.6687000      1.220000  
1 1 1 1  15 31  o 24.500  0.5085 -0.4915000     1.017000  
1 1 1 1  15 32  f 34.740  0.6136 -0.3962000     1.227000  
1 1 1 1  15 33  o 17.150  0.5248 0.7021000E-01  1.050000  
1 1 1 1  15 34  o 26.890  0.5418 -0.4265000     1.084000  
1 1 1 1  15 35  o 45.560  0.7711 -0.1600000     1.542000  
1 1 1 1  15 36  f 24.400  0.6322 3.010000       1.264000  
1 1 1 1  15 37  o 58.020  0.9553 0.8397000      1.911000  
1 1 1 1  15 38  o 50.340  0.8433 0.1894000      1.687000  
1 1 1 1  15 39  o 13.310  0.7073 -2.436000      1.415000  
1 1 1 1  15 40  o 21.080  0.5647 -0.3419000E-01 1.129000  
1 1 1 1  15 41  o 50.260  0.8423 0.5342000      1.685000  
1 1 1 1  15 42  o 32.020  0.6249 0.3069000      1.250000  
1 1 1 1  15 43  o 18.690  0.5788 -1.350000      1.158000  
1 1 1 1  15 44  o 38.600  0.6998 0.1447000      1.400000  
1 1 1 1  15 45  o 10.300  0.9001 0.9900000      1.800000  
1 1 1 1  15 46  o 11.990  0.7548 0.7454000      1.510000  
1 1 1 1  15 47  o 23.670  0.7314 0.9789000      1.463000  
1 1 1 1  15 48  o 22.460  0.8719 -1.959000      1.744000  
1 1 1 1  15 49  o 6.8800  1.7470 1.538000       3.494000  
1 1 1 1  15 50  o 13.090  1.3710 -1.603000      2.742000  
1 1 1 1  15 51  o 23.480  0.9145 -3.092000      1.829000  
1 1 1 1  15 52  o 27.930  0.8753 1.348000       1.751000  
1 1 1 1  15 53  o 29.850  0.8963 0.8032000      1.793000  
1 1 1 1  15 54  o 5.1860  1.6420 0.9289000      3.284000  
1 1 1 1  15 55  o 17.220  1.2330 3.132000       2.466000  
1 1 1 1  15 56  o 29.760  0.9333 -0.2734000     1.867000  
1 1 1 1  15 57  o 9.7710  1.9710 -1.040000      3.943000  
1 1 1 1  15 58  o 10.140  1.9600 1.898000       3.920000  
1 1 1 1  15 59  o 9.2920  1.9850 -2.975000      3.971000  
1 1 1 1  15 60  o 7.7460  1.8550 -4.942000      3.709000  
1 1 1 1  15 61  o 5.7040  1.7940 -1.484000      3.588000  
1 1 1 1  15 62  o 9.8150  2.0650 -0.4939000     4.130000  
1 1 1 1  15 63  o 8.8230  2.1060 0.7338000      4.211000  
1 1 1 1  15 64  o 8.9550  2.1320 0.7988000      4.263000  
1 1 1 1  15 65  o 6.1340  1.9040 -0.1777000     3.807000  
1 1 1 1  15 66  o 9.1960  2.1360 0.7846000      4.272000  
1 1 1 1  15 67  o 7.7900  2.0710 1.472000       4.141000  
1 1 1 1  15 68  o 8.8370  2.1750 0.8196000      4.349000  
1 1 1 1  15 69  o 6.7630  2.1380 0.3456000      4.276000  
1 1 1 1  15 70  o 7.8880  2.1530 -0.6999000     4.307000  
1 1 1 1  15 71  o 10.550  2.2050 -3.677000      4.410000  
1 1 1 1  15 72  f 7.8160  2.2040 0.8896000      4.409000  
1 1 1 1  15 73  o 6.7460  2.0580 -0.6321000     4.115000  
1 1 1 1  15 74  f 7.9640  2.1630 2.886000       4.325000  
1 1 1 1  15 75  o 7.8170  2.4020 1.470000       4.804000  
1 1 1 1  15 76  o 7.7300  2.1760 1.813000       4.352000  
1 1 1 1  15 77  o 6.5940  2.0280 -0.7367000     4.056000  
1 1 1 1  15 78  o 5.0990  1.7380 0.3678000      3.475000  
1 1 1 1  15 79  o 6.1710  1.9730 0.6195000      3.947000  
1 1 1 1  15 80  o 6.7440  2.0210 2.815000       4.042000  
1 1 1 1  15 81  o 5.2790  1.7760 -1.482000      3.552000  
1 1 1 1  15 82  o 6.0590  1.9230 0.9436000      3.846000  
1 1 1 1  15 83  o 5.0190  1.7170 -0.7531000     3.433000  
1 1 1 1  15 84  o 5.1120  1.7390 0.2377000      3.478000  
1 1 1 1  15 85  o 4.9700  1.6990 0.5190000      3.398000  
1 1 1 1  15 86  o 5.7140  1.8730 0.2627000      3.746000  
1 1 1 1  15 87  f 5.1740  1.7430 0.4617000      3.485000  
1 1 1 1  15 88  o 4.1570  1.4680 -0.3567000     2.936000  
1 1 1 1  15 89  o 4.6240  1.6270 1.078000       3.254000  
1 1 1 1  15 90  o 3.7250  1.3200 -0.1243000     2.640000  
1 1 1 1  15 91  o 4.6170  1.6100 -1.040000      3.219000  
1 1 1 1  16 0   o 10.660  0.6421 0.000000       0.000000  
1 1 1 1  16 1   o 42.920  0.6077 0.1782000      1.215000  
1 1 1 1  16 2   o 41.060  0.5855 -2.604000      1.171000  
1 1 1 1  16 3   o 48.300  0.6784 0.2859000      1.357000  
1 1 1 1  16 4   o 20.930  0.4651 2.719000       0.9301000 
1 1 1 1  16 5   o 19.370  0.3717 1.318000       0.7435000 
1 1 1 1  16 6   o 31.520  0.4631 -1.017000      0.9262000 
1 1 1 1  16 7   o 29.980  0.4478 -0.3506000     0.8955000 
1 1 1 1  16 8   o 26.960  0.4129 0.7877000      0.8257000 
1 1 1 1  16 9   o 20.100  0.4101 1.649000       0.8203000 
1 1 1 1  16 10  o 16.820  0.4011 2.810000       0.8022000 
1 1 1 1  16 11  o 39.580  0.5649 0.3430000E-01  1.130000  
1 1 1 1  16 12  o 37.090  0.6214 0.8617000      1.243000  
1 1 1 1  16 13  o 56.040  0.7831 -0.2911000     1.566000  
1 1 1 1  16 14  o 63.300  0.8812 -1.429000      1.762000  
1 1 1 1  16 15  o 39.370  0.7317 1.013000       1.463000  
1 1 1 1  16 16  o 31.430  0.6033 6.155000       1.207000  
1 1 1 1  16 17  o 57.100  0.7990 -0.7254000     1.598000  
1 1 1 1  16 18  o 26.480  0.5490 2.398000       1.098000  
1 1 1 1  16 19  o 57.060  0.7993 1.109000       1.599000  
1 1 1 1  16 20  o 47.430  0.7271 -0.7589000     1.454000  
1 1 1 1  16 21  o 45.650  0.6518 1.655000       1.304000  
1 1 1 1  16 22  o 45.810  0.6535 0.3974000      1.307000  
1 1 1 1  16 23  o 42.000  0.6078 -0.2865000     1.216000  
1 1 1 1  16 24  o 8.4650  0.6515 0.9754000      1.303000  
1 1 1 1  16 25  o 8.3100  0.6162 0.9572000      1.232000  
1 1 1 1  16 26  o 14.130  0.4313 0.8998000      0.8626000 
1 1 1 1  16 27  o 31.360  0.4857 0.4751000      0.9715000 
1 1 1 1  16 28  o 19.880  0.4097 -0.3549000     0.8193000 
1 1 1 1  16 29  f 16.680  0.4609 -0.5240000     0.9218000 
1 1 1 1  16 30  o 20.290  0.4982 -0.4353000     0.9965000 
1 1 1 1  16 31  o 27.240  0.5433 0.2354000      1.087000  
1 1 1 1  16 32  o 35.590  0.6356 -0.6252000     1.271000  
1 1 1 1  16 33  o 26.180  0.5450 -0.5136000     1.090000  
1 1 1 1  16 34  o 42.100  0.7225 -1.388000      1.445000  
1 1 1 1  16 35  o 25.160  0.5465 -1.249000      1.093000  
1 1 1 1  16 36  o 16.360  0.5769 -1.287000      1.154000  
1 1 1 1  16 37  o 33.770  0.6179 0.3668000E-01  1.236000  
1 1 1 1  16 38  o 21.100  0.5448 -0.9034000     1.090000  
1 1 1 1  16 39  o 10.330  0.8325 -0.6509000     1.665000  
1 1 1 1  16 40  o 44.360  0.7610 -0.6039000     1.522000  
1 1 1 1  16 41  o 43.180  0.8305 1.323000       1.661000  
1 1 1 1  16 42  o 18.020  0.8668 -1.118000      1.734000  
1 1 1 1  16 43  o 36.400  0.6645 -0.1562000     1.329000  
1 1 1 1  16 44  o 4.5190  1.2840 0.1947000      2.568000  
1 1 1 1  16 45  o 41.870  0.7465 -1.345000      1.493000  
1 1 1 1  16 46  o 48.610  0.8348 -0.3474000     1.670000  
1 1 1 1  16 47  o 7.2970  1.2630 -4.193000      2.526000  
1 1 1 1  16 48  o 28.080  0.6350 0.3612000      1.270000  
1 1 1 1  16 49  o 27.910  0.6296 1.156000       1.259000  
1 1 1 1  16 50  o 16.180  0.7086 0.3684000      1.417000  
1 1 1 1  16 51  o 32.920  0.8003 -1.648000      1.601000  
1 1 1 1  16 52  o 23.540  0.9286 -1.823000      1.857000  
1 1 1 1  16 53  o 9.7410  1.8360 2.147000       3.672000  
1 1 1 1  16 54  o 7.8230  1.9150 -0.9515000     3.829000  
1 1 1 1  16 55  o 5.4050  1.7030 0.9608000      3.405000  
1 1 1 1  16 56  o 24.880  0.9893 0.7467000      1.979000  
1 1 1 1  16 57  o 7.7040  1.9780 1.469000       3.956000  
1 1 1 1  16 58  o 15.390  1.4850 4.002000       2.970000  
1 1 1 1  16 59  o 10.610  2.0140 0.4824000      4.029000  
1 1 1 1  16 60  o 8.7750  2.0710 0.4280000      4.143000  
1 1 1 1  16 61  o 8.9700  1.9600 -5.033000      3.920000  
1 1 1 1  16 62  o 6.6610  1.9430 -1.304000      3.885000  
1 1 1 1  16 63  o 7.6410  1.9130 -4.992000      3.826000  
1 1 1 1  16 64  o 11.010  2.0540 0.9262000      4.109000  
1 1 1 1  16 65  o 5.8300  1.8400 -1.141000      3.679000  
1 1 1 1  16 66  o 5.7410  1.8370 -0.5916000     3.674000  
1 1 1 1  16 67  o 16.580  1.5680 -4.908000      3.136000  
1 1 1 1  16 68  o 5.0870  1.7090 -0.5378000     3.418000  
1 1 1 1  16 69  o 6.2280  1.9410 -1.505000      3.882000  
1 1 1 1  16 70  o 7.1980  2.1020 0.6248000      4.204000  
1 1 1 1  16 71  o 6.1410  1.9460 0.7064000      3.892000  
1 1 1 1  16 72  o 7.4070  2.1360 -0.9726000     4.272000  
1 1 1 1  16 73  o 5.7540  1.8860 0.3514000      3.773000  
1 1 1 1  16 74  o 6.6360  2.0370 1.930000       4.073000  
1 1 1 1  16 75  o 8.6640  2.0330 -5.442000      4.066000  
1 1 1 1  16 76  o 7.5820  2.2510 2.044000       4.502000  
1 1 1 1  16 77  o 4.7850  1.6460 0.8482000      3.291000  
1 1 1 1  16 78  o 5.2440  1.7470 0.1322000      3.493000  
1 1 1 1  16 79  o 6.0690  1.9340 -0.3631000E-01 3.869000  
1 1 1 1  16 80  o 6.1420  1.9570 -0.6141000     3.915000  
1 1 1 1  16 81  o 6.5450  1.9620 2.238000       3.924000  
1 1 1 1  16 82  o 6.1440  1.9360 1.457000       3.872000  
1 1 1 1  16 83  o 4.9970  1.7380 0.3790000      3.476000  
1 1 1 1  16 84  o 4.9220  1.6700 -1.514000      3.341000  
1 1 1 1  16 85  o 6.0150  1.8980 -0.2569000     3.797000  
1 1 1 1  16 86  o 4.3970  1.5160 -0.1147000     3.031000  
1 1 1 1  16 87  o 5.3970  1.7640 -1.480000      3.528000  
1 1 1 1  16 88  o 4.1470  1.4250 0.9397000      2.849000  
1 1 1 1  16 89  o 4.2510  1.4760 0.9198000      2.952000  
1 1 1 1  17 0   o 69.320  1.3580 0.000000       0.000000  
1 1 1 1  17 1   o 39.420  0.8026 2.802000       1.605000  
1 1 1 1  17 2   o 38.960  0.6058 -0.6127000     1.212000  
1 1 1 1  17 3   o 32.660  0.6191 1.301000       1.238000  
1 1 1 1  17 4   o 28.320  0.4676 -0.2628000     0.9353000 
1 1 1 1  17 5   o 44.990  0.6355 0.8359000      1.271000  
1 1 1 1  17 6   o 30.190  0.4922 -1.122000      0.9844000 
1 1 1 1  17 7   o 28.080  0.4292 -0.6559000     0.8584000 
1 1 1 1  17 8   o 17.670  0.3528 0.2474000      0.7057000 
1 1 1 1  17 9   o 21.130  0.3696 -0.1644000     0.7393000 
1 1 1 1  17 10  o 30.880  0.4617 0.3924000      0.9233000 
1 1 1 1  17 11  o 14.400  0.4283 -0.5209000     0.8567000 
1 1 1 1  17 12  o 21.660  0.3787 -0.7307000     0.7574000 
1 1 1 1  17 13  o 38.590  0.5564 -0.3089000     1.113000  
1 1 1 1  17 14  o 42.240  0.6052 0.9946000E-01  1.210000  
1 1 1 1  17 15  o 26.260  0.4883 0.4222000      0.9766000 
1 1 1 1  17 16  o 46.180  0.6553 0.2587000      1.311000  
1 1 1 1  17 17  o 20.400  0.5033 0.5139000E-01  1.007000  
1 1 1 1  17 18  o 36.000  0.5320 -0.7088000     1.064000  
1 1 1 1  17 19  o 67.190  0.9368 -2.184000      1.874000  
1 1 1 1  17 20  o 69.590  0.9710 -0.1223000     1.942000  
1 1 1 1  17 21  o 22.090  0.5266 1.673000       1.053000  
1 1 1 1  17 22  o 31.930  0.4901 -0.1235000     0.9802000 
1 1 1 1  17 23  f 29.650  0.4678 -0.6339000     0.9356000 
1 1 1 1  17 24  o 22.600  0.4192 0.9721000      0.8384000 
1 1 1 1  17 25  o 17.420  0.4250 -0.4296000     0.8500000 
1 1 1 1  17 26  o 25.610  0.4431 0.7294000E-01  0.8861000 
1 1 1 1  17 27  o 24.510  0.4421 0.6498000      0.8842000 
1 1 1 1  17 28  o 38.270  0.5724 1.792000       1.145000  
1 1 1 1  17 29  o 34.290  0.5294 1.089000       1.059000  
1 1 1 1  17 30  o 34.270  0.5323 -0.4403000     1.065000  
1 1 1 1  17 31  o 34.380  0.6169 -0.7521000     1.234000  
1 1 1 1  17 32  o 23.210  0.5210 -0.6915000     1.042000  
1 1 1 1  17 33  o 20.980  0.5236 0.5257000      1.047000  
1 1 1 1  17 34  o 18.920  0.5390 0.6682000      1.078000  
1 1 1 1  17 35  o 17.100  0.5591 -0.6061000     1.118000  
1 1 1 1  17 36  o 22.610  0.5362 -0.4202000     1.072000  
1 1 1 1  17 37  o 15.680  0.6013 0.4020000      1.203000  
1 1 1 1  17 38  o 10.020  0.8579 -0.7463000     1.716000  
1 1 1 1  17 39  o 14.830  0.6365 -0.5724000     1.273000  
1 1 1 1  17 40  o 6.1860  1.2520 -0.3391000E-01 2.505000  
1 1 1 1  17 41  o 18.890  0.6118 1.224000       1.224000  
1 1 1 1  17 42  o 34.970  0.6638 -0.1013000     1.328000  
1 1 1 1  17 43  o 33.160  0.6478 -0.1327000     1.296000  
1 1 1 1  17 44  o 23.620  0.6167 0.4897000      1.233000  
1 1 1 1  17 45  o 29.690  0.6260 -0.9685000     1.252000  
1 1 1 1  17 46  o 17.330  0.6816 1.834000       1.363000  
1 1 1 1  17 47  o 20.970  0.6344 -1.094000      1.269000  
1 1 1 1  17 48  o 12.760  0.8400 0.1130000      1.680000  
1 1 1 1  17 49  o 12.730  0.8860 -0.7632000     1.772000  
1 1 1 1  17 50  o 17.880  0.7090 0.5496000      1.418000  
1 1 1 1  17 51  o 22.080  0.6738 1.041000       1.348000  
1 1 1 1  17 52  o 35.820  0.7172 -1.165000      1.434000  
1 1 1 1  17 53  o 22.050  0.7064 0.6802000      1.413000  
1 1 1 1  17 54  f 11.880  0.9709 0.2417000      1.942000  
1 1 1 1  17 55  o 12.820  1.3300 -0.4689000     2.660000  
1 1 1 1  17 56  f 15.140  1.0980 3.519000       2.196000  
1 1 1 1  17 57  o 5.0510  1.6360 1.773000       3.271000  
1 1 1 1  17 58  o 6.3410  1.8860 1.037000       3.773000  
1 1 1 1  17 59  f 14.050  1.5810 -0.8606000E-01 3.163000  
1 1 1 1  17 60  o 11.220  1.9350 1.884000       3.869000  
1 1 1 1  17 61  f 8.7020  1.9720 -4.623000      3.944000  
1 1 1 1  17 62  o 14.550  1.6770 -0.8890000     3.354000  
1 1 1 1  17 63  o 9.4680  2.0420 3.783000       4.085000  
1 1 1 1  17 64  f 6.0090  1.8890 -0.2403000     3.777000  
1 1 1 1  17 65  o 9.9850  2.1910 -0.6289000     4.382000  
1 1 1 1  17 66  o 10.340  2.1750 -3.014000      4.349000  
1 1 1 1  17 67  o 11.200  2.1230 -2.529000      4.247000  
1 1 1 1  17 68  o 7.5610  2.1250 0.3153000      4.250000  
1 1 1 1  17 69  o 5.3160  1.7550 -0.4995000E-02 3.510000  
1 1 1 1  17 70  o 10.700  2.1230 1.106000       4.246000  
1 1 1 1  17 71  o 8.4400  2.0890 -3.205000      4.178000  
1 1 1 1  17 72  o 6.5090  1.9690 -2.217000      3.938000  
1 1 1 1  17 73  o 6.8760  2.0620 -0.1218000     4.124000  
1 1 1 1  17 74  o 6.2680  1.9790 0.2885000      3.958000  
1 1 1 1  17 75  o 5.2760  1.7720 1.402000       3.543000  
1 1 1 1  17 76  f 6.5220  2.0240 0.3228000      4.047000  
1 1 1 1  17 77  f 6.6540  2.0330 -0.1788000     4.067000  
1 1 1 1  17 78  o 6.5800  2.0250 0.5272000      4.050000  
1 1 1 1  17 79  o 6.2440  1.9540 -2.211000      3.908000  
1 1 1 1  17 80  o 6.0450  1.9370 -0.5898000     3.874000  
1 1 1 1  17 81  f 4.9830  1.7000 0.7191000E-01  3.400000  
1 1 1 1  17 82  o 6.2530  1.9690 -1.294000      3.938000  
1 1 1 1  17 83  o 5.0430  1.6850 0.5914000      3.371000  
1 1 1 1  17 84  o 4.7950  1.6800 -0.7192000     3.361000  
1 1 1 1  17 85  o 3.9570  1.4230 -0.7526000     2.847000  
1 1 1 1  17 86  o 4.0650  1.4040 -0.1021000     2.808000  
1 1 1 1  17 87  o 4.0040  1.3510 -0.2620000     2.703000  
1 1 1 1  17 88  o 4.1480  2.0760 ?              ?         
1 1 1 1  18 0   o 37.210  1.0840 0.000000       0.000000  
1 1 1 1  18 1   f 53.510  0.7495 -0.8727000     1.499000  
1 1 1 1  18 2   o 39.460  0.7195 8.200000       1.439000  
1 1 1 1  18 3   o 34.560  0.5082 0.8359000      1.016000  
1 1 1 1  18 4   o 30.570  0.5305 2.179000       1.061000  
1 1 1 1  18 5   o 37.980  0.5940 -1.539000      1.188000  
1 1 1 1  18 6   o 50.150  0.7630 -2.618000      1.526000  
1 1 1 1  18 7   o 62.600  0.8727 0.4971000      1.745000  
1 1 1 1  18 8   o 26.180  0.5509 -3.005000      1.102000  
1 1 1 1  18 9   o 26.940  0.5595 -5.236000      1.119000  
1 1 1 1  18 10  o 56.590  0.7933 -0.2725000     1.587000  
1 1 1 1  18 11  o 63.540  0.8874 2.539000       1.775000  
1 1 1 1  18 12  o 22.740  0.5069 -4.692000      1.014000  
1 1 1 1  18 13  o 12.660  0.4499 0.2002000      0.8998000 
1 1 1 1  18 14  o 13.440  0.4448 1.321000       0.8896000 
1 1 1 1  18 15  o 32.800  0.4925 0.4421000      0.9850000 
1 1 1 1  18 16  o 8.6120  0.8441 4.671000       1.688000  
1 1 1 1  18 17  o 25.440  0.4269 -0.1801000     0.8538000 
1 1 1 1  18 18  o 19.260  0.5198 4.488000       1.040000  
1 1 1 1  18 19  o 39.140  0.5745 0.4550000      1.149000  
1 1 1 1  18 20  o 31.150  0.5278 -0.1284000     1.056000  
1 1 1 1  18 21  o 55.440  0.7831 1.392000       1.566000  
1 1 1 1  18 22  o 39.240  0.6677 1.768000       1.335000  
1 1 1 1  18 23  o 39.060  0.5777 0.1048000      1.155000  
1 1 1 1  18 24  o 38.880  0.5765 -0.6307000     1.153000  
1 1 1 1  18 25  o 21.360  0.4616 -1.407000      0.9233000 
1 1 1 1  18 26  o 38.490  0.5722 0.4300000      1.144000  
1 1 1 1  18 27  o 35.870  0.5472 0.4307000      1.094000  
1 1 1 1  18 28  o 43.130  0.6327 0.2438000      1.265000  
1 1 1 1  18 29  o 40.130  0.5971 0.8235000      1.194000  
1 1 1 1  18 30  o 39.410  0.5870 0.9818000E-01  1.174000  
1 1 1 1  18 31  o 28.200  0.4772 -0.4011000     0.9543000 
1 1 1 1  18 32  o 15.670  0.5340 1.203000       1.068000  
1 1 1 1  18 33  o 45.070  0.7624 -0.9377000E-02 1.525000  
1 1 1 1  18 34  o 22.660  0.5435 -0.6679000     1.087000  
1 1 1 1  18 35  o 12.360  0.7015 -0.3664000     1.403000  
1 1 1 1  18 36  o 7.6000  1.0590 2.147000       2.118000  
1 1 1 1  18 37  o 14.780  0.6535 -0.9912000     1.307000  
1 1 1 1  18 38  f 12.410  0.7565 0.8592000      1.513000  
1 1 1 1  18 39  o 26.360  0.5741 -0.5840000E-01 1.148000  
1 1 1 1  18 40  o 24.430  0.5874 0.2458000      1.175000  
1 1 1 1  18 41  o 20.150  0.6011 -1.495000      1.202000  
1 1 1 1  18 42  o 18.510  0.6362 -0.9993000     1.272000  
1 1 1 1  18 43  o 13.290  0.7587 1.740000       1.517000  
1 1 1 1  18 44  f 39.230  0.7218 0.6256000E-01  1.444000  
1 1 1 1  18 45  o 37.650  0.7047 -1.591000      1.409000  
1 1 1 1  18 46  o 32.910  0.6694 -0.3327000     1.339000  
1 1 1 1  18 47  o 10.970  1.0040 0.4120000      2.008000  
1 1 1 1  18 48  o 11.720  0.9997 -3.012000      1.999000  
1 1 1 1  18 49  o 13.090  0.8767 -0.4942000     1.753000  
1 1 1 1  18 50  o 7.2310  1.3880 -2.674000      2.776000  
1 1 1 1  18 51  o 13.920  0.8643 0.1424000      1.729000  
1 1 1 1  18 52  o 22.520  0.6685 -0.1466000     1.337000  
1 1 1 1  18 53  o 16.300  0.7656 0.3271000E-01  1.531000  
1 1 1 1  18 54  f 4.0460  1.2300 1.974000       2.461000  
1 1 1 1  18 55  o 5.9950  1.4050 -3.235000      2.809000  
1 1 1 1  18 56  o 26.010  0.6904 0.8318000      1.381000  
1 1 1 1  18 57  f 3.3030  1.1300 0.2431000      2.260000  
1 1 1 1  18 58  o 4.5840  1.3800 -0.9264000     2.759000  
1 1 1 1  18 59  o 12.500  0.9865 1.950000       1.973000  
1 1 1 1  18 60  o 16.900  1.1060 1.737000       2.213000  
1 1 1 1  18 61  o 6.0920  1.8730 1.918000       3.745000  
1 1 1 1  18 62  o 8.2930  2.1350 1.189000       4.270000  
1 1 1 1  18 63  o 7.8910  2.1230 0.1282000      4.247000  
1 1 1 1  18 64  o 6.9770  2.0450 -1.478000      4.089000  
1 1 1 1  18 65  o 14.320  1.8410 -7.320000      3.683000  
1 1 1 1  18 66  o 6.7280  1.9700 2.402000       3.939000  
1 1 1 1  18 67  f 11.480  2.0680 2.201000       4.136000  
1 1 1 1  18 68  o 13.240  1.9010 4.022000       3.802000  
1 1 1 1  18 69  o 10.090  2.1300 1.636000       4.260000  
1 1 1 1  18 70  o 5.9270  1.8830 -0.4329000     3.767000  
1 1 1 1  18 71  o 5.6450  1.8390 0.1263000      3.678000  
1 1 1 1  18 72  o 5.8200  1.8880 0.7206000E-01  3.776000  
1 1 1 1  18 73  o 7.1380  2.1220 0.4521000E-01  4.244000  
1 1 1 1  18 74  o 6.6980  2.0450 1.128000       4.090000  
1 1 1 1  18 75  o 5.5090  1.8170 0.5214000      3.635000  
1 1 1 1  18 76  o 6.3070  1.9850 -0.6791000     3.970000  
1 1 1 1  18 77  o 6.4780  2.0120 -1.071000      4.023000  
1 1 1 1  18 78  o 5.1750  1.7510 0.3015000      3.501000  
1 1 1 1  18 79  o 5.0490  1.7160 -0.9218000     3.432000  
1 1 1 1  18 80  o 4.4190  1.5460 -0.3743000E-01 3.093000  
1 1 1 1  18 81  o 5.4850  1.7920 -2.246000      3.584000  
1 1 1 1  18 82  o 4.3210  1.5060 -0.3539000     3.012000  
1 1 1 1  18 83  o 4.8660  1.6480 0.9574000      3.295000  
1 1 1 1  18 84  o 3.8990  1.3580 -0.7667000E-01 2.716000  
1 1 1 1  18 85  o 4.5020  1.4720 -0.4634000E-01 2.944000  
1 1 1 1  18 86  o 4.0710  1.4440 -0.1155000     2.888000  
1 1 1 1  19 0   o 34.780  0.7271 -0.000000      0.000000  
1 1 1 1  19 1   o 31.180  0.5119 1.248000       1.024000  
1 1 1 1  19 2   o 29.040  0.4500 -0.1531000     0.9001000 
1 1 1 1  19 3   o 17.150  0.5435 0.6346000      1.087000  
1 1 1 1  19 4   o 35.700  0.6583 -4.878000      1.317000  
1 1 1 1  19 5   f 34.290  0.5490 1.774000       1.098000  
1 1 1 1  19 6   o 18.220  0.4976 3.243000       0.9952000 
1 1 1 1  19 7   o 26.110  0.4254 0.4887000      0.8508000 
1 1 1 1  19 8   o 48.260  0.6848 -0.6758000     1.370000  
1 1 1 1  19 9   o 46.190  0.7111 3.892000       1.422000  
1 1 1 1  19 10  o 37.780  0.5993 1.617000       1.199000  
1 1 1 1  19 11  f 27.980  0.6543 9.278000       1.309000  
1 1 1 1  19 12  o 75.400  1.0500 0.1355000      2.100000  
1 1 1 1  19 13  o 37.540  0.9124 ?              ?         
1 1 1 1  19 14  o 40.960  0.5944 -2.084000      1.189000  
1 1 1 1  19 15  o 48.670  0.6916 1.991000       1.383000  
1 1 1 1  19 16  o 43.490  0.6828 3.323000       1.366000  
1 1 1 1  19 17  o 37.710  0.5557 0.1496000      1.111000  
1 1 1 1  19 18  o 31.500  0.6414 -6.390000      1.283000  
1 1 1 1  19 19  o 28.110  0.4549 -0.5812000     0.9097000 
1 1 1 1  19 20  o 36.020  0.5375 -0.8354000     1.075000  
1 1 1 1  19 21  o 30.370  0.4827 0.3930000      0.9655000 
1 1 1 1  19 22  f 42.680  0.6204 0.3581000      1.241000  
1 1 1 1  19 23  o 25.730  0.4801 0.8688000      0.9603000 
1 1 1 1  19 24  o 23.120  0.4840 1.457000       0.9681000 
1 1 1 1  19 25  o 49.850  0.7135 -0.2695000     1.427000  
1 1 1 1  19 26  o 58.410  0.8276 -0.3061000     1.655000  
1 1 1 1  19 27  o 53.440  0.7627 -0.5937000     1.525000  
1 1 1 1  19 28  o 50.190  0.7191 0.5910000E-01  1.438000  
1 1 1 1  19 29  o 14.100  0.6589 -0.8399000E-01 1.318000  
1 1 1 1  19 30  o 32.170  0.5109 0.3236000      1.022000  
1 1 1 1  19 31  o 16.780  0.5158 2.321000       1.032000  
1 1 1 1  19 32  o 17.020  0.4797 -0.7847000     0.9594000 
1 1 1 1  19 33  o 19.860  0.5084 1.164000       1.017000  
1 1 1 1  19 34  o 13.910  0.6502 0.3340000      1.300000  
1 1 1 1  19 35  o 6.4680  1.2280 -0.6901000     2.456000  
1 1 1 1  19 36  o 10.020  0.9070 -1.402000      1.814000  
1 1 1 1  19 37  o 23.100  0.5728 0.3695000      1.146000  
1 1 1 1  19 38  o 26.220  0.5861 -0.9647000     1.172000  
1 1 1 1  19 39  o 17.470  0.6386 0.3021000      1.277000  
1 1 1 1  19 40  o 15.900  0.6988 1.756000       1.398000  
1 1 1 1  19 41  o 25.820  0.6184 0.1006000      1.237000  
1 1 1 1  19 42  o 24.540  0.6069 -0.1276000     1.214000  
1 1 1 1  19 43  o 6.4750  1.3670 0.4923000      2.735000  
1 1 1 1  19 44  o 4.7620  1.3000 2.166000       2.600000  
1 1 1 1  19 45  f 13.910  0.8146 -0.6441000     1.629000  
1 1 1 1  19 46  o 16.900  0.7252 0.3057000      1.450000  
1 1 1 1  19 47  o 20.480  0.6673 0.3019000      1.335000  
1 1 1 1  19 48  f 14.730  0.7937 -0.1508000     1.587000  
1 1 1 1  19 49  o 8.2050  1.2910 0.9647000      2.581000  
1 1 1 1  19 50  o 12.790  0.8784 1.008000       1.757000  
1 1 1 1  19 51  o 17.410  0.7324 0.9557000E-01  1.465000  
1 1 1 1  19 52  o 26.700  0.6720 1.491000       1.344000  
1 1 1 1  19 53  o 5.7640  1.4560 0.9687000      2.912000  
1 1 1 1  19 54  o 12.820  0.9109 -0.7187000     1.822000  
1 1 1 1  19 55  o 5.4130  1.3840 -2.593000      2.768000  
1 1 1 1  19 56  o 7.6830  1.3900 1.477000       2.780000  
1 1 1 1  19 57  o 4.7960  1.3910 0.5740000      2.781000  
1 1 1 1  19 58  f 10.110  1.2510 1.673000       2.502000  
1 1 1 1  19 59  o 12.330  1.0450 0.3613000      2.090000  
1 1 1 1  19 60  o 5.3860  1.4750 -1.072000      2.951000  
1 1 1 1  19 61  o 12.420  0.9908 2.027000       1.982000  
1 1 1 1  19 62  o 4.1840  1.2710 -2.102000      2.542000  
1 1 1 1  19 63  o 4.8370  1.4240 1.026000       2.849000  
1 1 1 1  19 64  f 3.9620  1.2770 -0.3117000     2.554000  
1 1 1 1  19 65  f 4.5510  1.5000 1.653000       3.000000  
1 1 1 1  19 66  o 14.690  1.5940 -0.1063000     3.188000  
1 1 1 1  19 67  o 7.4750  2.0510 -0.7680000     4.102000  
1 1 1 1  19 68  o 5.9620  1.8300 -2.108000      3.660000  
1 1 1 1  19 69  o 4.9210  1.6520 -0.3273000     3.304000  
1 1 1 1  19 70  o 6.0230  1.8710 1.311000       3.743000  
1 1 1 1  19 71  o 6.0640  1.9110 -0.3627000     3.822000  
1 1 1 1  19 72  o 5.4590  1.7900 -1.414000      3.580000  
1 1 1 1  19 73  f 7.9900  2.1640 -0.2301000     4.328000  
1 1 1 1  19 74  f 4.3740  1.5260 0.1876000      3.053000  
1 1 1 1  19 75  o 6.4290  1.9980 -0.1476000     3.996000  
1 1 1 1  19 76  o 5.9290  1.9190 -0.8852000     3.838000  
1 1 1 1  19 77  o 5.2810  1.7780 -0.4778000     3.555000  
1 1 1 1  19 78  o 4.7530  1.6310 1.074000       3.262000  
1 1 1 1  19 79  o 4.8200  1.6470 -0.8066000     3.295000  
1 1 1 1  19 80  o 5.6930  1.8530 -0.2465000     3.705000  
1 1 1 1  19 81  f 4.6260  1.5840 -1.360000      3.168000  
1 1 1 1  19 82  o 3.7870  1.3220 -0.6821000     2.643000  
1 1 1 1  19 83  o 3.6940  1.2710 0.8216000      2.542000  
1 1 1 1  19 84  o 3.8730  1.3850 0.2523000      2.771000  
1 1 1 1  20 0   o 22.200  0.5663 0.000000       0.000000  
1 1 1 1  20 1   o 28.260  0.5149 -0.6826000     1.030000  
1 1 1 1  20 2   f 33.760  0.5474 -0.2480000     1.095000  
1 1 1 1  20 3   o 42.880  0.6172 -0.9255000     1.234000  
1 1 1 1  20 4   o 30.730  0.5117 0.9524000      1.023000  
1 1 1 1  20 5   o 20.960  0.3944 0.7251000      0.7888000 
1 1 1 1  20 6   f 18.010  0.4232 0.7485000      0.8464000 
1 1 1 1  20 7   o 17.290  0.4496 -3.871000      0.8992000 
1 1 1 1  20 8   o 32.650  0.4934 0.1332000      0.9869000 
1 1 1 1  20 9   o 23.230  0.4833 7.551000       0.9666000 
1 1 1 1  20 10  f 44.240  0.6338 0.4572000E-01  1.268000  
1 1 1 1  20 11  o 33.360  0.5863 -2.544000      1.173000  
1 1 1 1  20 12  o 67.320  0.9397 0.9973000      1.879000  
1 1 1 1  20 13  o 34.770  0.6864 20.28000       1.373000  
1 1 1 1  20 14  o 50.120  0.7117 -0.7912000     1.423000  
1 1 1 1  20 15  o 30.880  0.6000 3.599000       1.200000  
1 1 1 1  20 16  o 26.950  0.5157 -0.2864000     1.031000  
1 1 1 1  20 17  o 39.540  0.5779 -0.1683000     1.156000  
1 1 1 1  20 18  o 17.640  0.4681 -0.5332000     0.9362000 
1 1 1 1  20 19  o 21.080  0.4168 -0.7223000     0.8336000 
1 1 1 1  20 20  o 24.350  0.4737 -1.437000      0.9474000 
1 1 1 1  20 21  o 48.380  0.6934 -0.6274000     1.387000  
1 1 1 1  20 22  o 12.100  0.7087 3.097000       1.417000  
1 1 1 1  20 23  o 15.950  0.5026 0.1862000      1.005000  
1 1 1 1  20 24  o 41.200  0.6071 -0.7328000     1.214000  
1 1 1 1  20 25  o 42.800  0.6297 -1.291000      1.259000  
1 1 1 1  20 26  o 33.890  0.5295 0.2531000      1.059000  
1 1 1 1  20 27  o 15.920  0.5679 -0.6816000     1.136000  
1 1 1 1  20 28  f 29.330  0.4921 1.171000       0.9842000 
1 1 1 1  20 29  o 13.760  0.5229 -0.2267000     1.046000  
1 1 1 1  20 30  o 7.6420  0.8914 2.983000       1.783000  
1 1 1 1  20 31  o 17.080  0.4850 -0.6001000     0.9699000 
1 1 1 1  20 32  f 8.3330  0.8372 -0.6926000     1.674000  
1 1 1 1  20 33  o 33.240  0.5363 0.7776000E-01  1.073000  
1 1 1 1  20 34  o 27.660  0.5483 0.9494000      1.097000  
1 1 1 1  20 35  o 15.090  0.6776 2.151000       1.355000  
1 1 1 1  20 36  o 31.420  0.6234 -0.4856000     1.247000  
1 1 1 1  20 37  f 24.690  0.5965 -0.6527000     1.193000  
1 1 1 1  20 38  o 20.980  0.6111 0.1025000      1.222000  
1 1 1 1  20 39  f 8.8460  1.0570 2.050000       2.114000  
1 1 1 1  20 40  o 4.5190  1.3110 -0.1624000     2.622000  
1 1 1 1  20 41  f 12.960  0.8231 -1.420000      1.646000  
1 1 1 1  20 42  o 14.320  0.7663 -1.111000      1.533000  
1 1 1 1  20 43  o 4.1610  1.2650 0.9652000      2.530000  
1 1 1 1  20 44  o 19.280  0.6646 -1.578000      1.329000  
1 1 1 1  20 45  o 9.6910  1.1480 -2.787000      2.297000  
1 1 1 1  20 46  o 9.2390  1.1930 -0.4408000     2.386000  
1 1 1 1  20 47  o 21.900  0.6929 -0.7431000     1.386000  
1 1 1 1  20 48  o 11.890  0.9343 -0.7542000E-01 1.869000  
1 1 1 1  20 49  o 5.5350  1.4110 -0.8813000     2.823000  
1 1 1 1  20 50  o 4.9200  1.3760 -1.124000      2.751000  
1 1 1 1  20 51  o 13.310  0.8720 -1.045000      1.744000  
1 1 1 1  20 52  o 9.1110  1.2920 0.5363000      2.583000  
1 1 1 1  20 53  o 5.9520  1.4930 -1.187000      2.987000  
1 1 1 1  20 54  o 5.9880  1.4900 -1.669000      2.980000  
1 1 1 1  20 55  f 25.880  0.6985 -0.5800000     1.397000  
1 1 1 1  20 56  f 6.5920  1.4640 2.852000       2.929000  
1 1 1 1  20 57  f 9.9980  1.1750 0.5333000      2.349000  
1 1 1 1  20 58  f 13.340  0.9003 -0.5719000     1.801000  
1 1 1 1  20 59  o 5.6840  1.4640 -1.494000      2.927000  
1 1 1 1  20 60  f 10.850  1.1720 3.086000       2.343000  
1 1 1 1  20 61  o 11.850  1.0920 2.095000       2.184000  
1 1 1 1  20 62  o 8.2900  1.4640 0.3757000E-02  2.929000  
1 1 1 1  20 63  o 3.9610  1.2780 0.3493000      2.556000  
1 1 1 1  20 64  o 6.8170  1.5250 -0.4975000     3.049000  
1 1 1 1  20 65  o 4.0740  1.3060 -0.8803000     2.612000  
1 1 1 1  20 66  o 9.1820  1.3970 1.132000       2.793000  
1 1 1 1  20 67  o 6.8900  1.4430 2.476000       2.885000  
1 1 1 1  20 68  o 7.7840  1.3860 -5.221000      2.773000  
1 1 1 1  20 69  o 8.3510  1.4990 0.7468000      2.997000  
1 1 1 1  20 70  o 4.5480  1.4800 0.3639000      2.960000  
1 1 1 1  20 71  o 6.0860  1.6400 -1.776000      3.280000  
1 1 1 1  20 72  o 5.4000  1.7760 -0.4899000     3.552000  
1 1 1 1  20 73  o 5.0170  1.7010 0.9397000      3.402000  
1 1 1 1  20 74  o 6.9230  2.0240 -3.418000      4.049000  
1 1 1 1  20 75  o 5.4690  1.8030 -2.143000      3.606000  
1 1 1 1  20 76  o 4.6370  1.5980 0.2343000      3.196000  
1 1 1 1  20 77  o 5.2110  1.7230 0.9012000      3.445000  
1 1 1 1  20 78  o 5.9670  1.8840 0.4375000      3.767000  
1 1 1 1  20 79  o 4.5970  1.5590 -0.5032000     3.119000  
1 1 1 1  20 80  o 3.5040  1.2330 -0.1218000     2.466000  
1 1 1 1  20 81  o 4.5370  1.4580 2.128000       2.915000  
1 1 1 1  20 82  o 4.1540  1.4690 0.1101000      2.939000  
1 1 1 1  21 0   f 26.730  0.6207 -0.000000      0.000000  
1 1 1 1  21 1   o 31.760  0.5309 3.533000       1.062000  
1 1 1 1  21 2   o 41.680  0.6029 -0.9584000     1.206000  
1 1 1 1  21 3   o 17.520  0.4366 -2.815000      0.8732000 
1 1 1 1  21 4   o 11.750  0.5230 2.779000       1.046000  
1 1 1 1  21 5   o 23.810  0.4818 0.2719000      0.9637000 
1 1 1 1  21 6   o 38.250  0.5605 0.5563000      1.121000  
1 1 1 1  21 7   o 20.530  0.5303 2.716000       1.061000  
1 1 1 1  21 8   o 7.6910  0.7090 -0.2058000     1.418000  
1 1 1 1  21 9   o 9.4680  0.5768 -0.6414000     1.154000  
1 1 1 1  21 10  o 7.4980  0.8277 0.9889000E-01  1.655000  
1 1 1 1  21 11  o 28.020  0.4529 0.1258000E-01  0.9057000 
1 1 1 1  21 12  o 13.680  0.6428 -7.186000      1.286000  
1 1 1 1  21 13  o 34.750  0.5669 0.6273000      1.134000  
1 1 1 1  21 14  o 33.640  0.5146 -0.5942000     1.029000  
1 1 1 1  21 15  o 18.010  0.8220 ?              ?         
1 1 1 1  21 16  o 13.090  0.4777 -0.9972000     0.9554000 
1 1 1 1  21 17  o 26.940  0.4515 0.9433000      0.9030000 
1 1 1 1  21 18  o 20.280  0.4707 1.985000       0.9414000 
1 1 1 1  21 19  f 30.050  0.4844 0.3334000      0.9687000 
1 1 1 1  21 20  o 11.460  0.6817 -0.2193000     1.363000  
1 1 1 1  21 21  o 9.2530  0.6960 1.182000       1.392000  
1 1 1 1  21 22  o 14.160  0.5036 -0.8288000     1.007000  
1 1 1 1  21 23  o 20.240  0.4449 -0.9817000     0.8898000 
1 1 1 1  21 24  o 23.120  0.4537 0.2883000      0.9074000 
1 1 1 1  21 25  o 22.360  0.4612 1.660000       0.9224000 
1 1 1 1  21 26  o 30.700  0.5031 -0.3088000     1.006000  
1 1 1 1  21 27  o 27.710  0.4895 1.126000       0.9790000 
1 1 1 1  21 28  o 29.270  0.5025 -0.8851000     1.005000  
1 1 1 1  21 29  o 41.540  0.6226 -0.4005000     1.245000  
1 1 1 1  21 30  o 8.7310  0.9872 -3.411000      1.974000  
1 1 1 1  21 31  o 19.730  0.4809 -0.3860000E-01 0.9619000 
1 1 1 1  21 32  o 21.610  0.4798 -0.3315000     0.9595000 
1 1 1 1  21 33  f 5.0120  1.1400 -1.878000      2.280000  
1 1 1 1  21 34  o 26.660  0.5026 -0.8264000     1.005000  
1 1 1 1  21 35  o 12.960  0.7473 -1.454000      1.495000  
1 1 1 1  21 36  o 20.760  0.6070 2.444000       1.214000  
1 1 1 1  21 37  o 12.400  0.8455 0.1477000      1.691000  
1 1 1 1  21 38  o 16.410  0.6879 0.6073000      1.376000  
1 1 1 1  21 39  o 5.6320  1.3680 -0.4606000     2.736000  
1 1 1 1  21 40  o 21.050  0.6020 -1.140000      1.204000  
1 1 1 1  21 41  o 6.7940  1.3420 1.775000       2.685000  
1 1 1 1  21 42  o 25.890  0.6181 -0.9295000     1.236000  
1 1 1 1  21 43  o 4.6110  1.3350 -0.8037000     2.671000  
1 1 1 1  21 44  o 5.2910  1.3710 -1.755000      2.741000  
1 1 1 1  21 45  o 13.780  0.8118 0.3807000      1.624000  
1 1 1 1  21 46  o 12.420  0.9467 -0.5973000     1.893000  
1 1 1 1  21 47  o 13.080  0.8605 0.9034000      1.721000  
1 1 1 1  21 48  o 7.8330  1.3170 -2.012000      2.634000  
1 1 1 1  21 49  o 4.3150  1.3150 0.5956000E-01  2.630000  
1 1 1 1  21 50  o 13.550  0.8471 -0.5985000     1.694000  
1 1 1 1  21 51  o 7.2240  1.4020 -0.9842000     2.804000  
1 1 1 1  21 52  o 14.190  0.8558 2.932000       1.712000  
1 1 1 1  21 53  o 4.7500  1.3960 0.9951000E-01  2.793000  
1 1 1 1  21 54  o 8.3100  1.3630 0.7001000      2.726000  
1 1 1 1  21 55  o 4.4920  1.3430 1.061000       2.685000  
1 1 1 1  21 56  o 7.7850  1.3570 2.237000       2.714000  
1 1 1 1  21 57  o 6.3780  1.4700 0.5919000      2.940000  
1 1 1 1  21 58  o 7.9740  1.4530 -0.4825000     2.907000  
1 1 1 1  21 59  o 11.110  1.1740 1.681000       2.348000  
1 1 1 1  21 60  o 12.340  1.0510 1.419000       2.102000  
1 1 1 1  21 61  o 4.4690  1.3680 -0.1037000E-01 2.736000  
1 1 1 1  21 62  o 8.2190  1.4250 -2.111000      2.850000  
1 1 1 1  21 63  o 5.4120  1.4550 -2.051000      2.910000  
1 1 1 1  21 64  o 10.410  1.2620 0.3352000      2.524000  
1 1 1 1  21 65  o 4.8360  1.4270 0.7192000      2.853000  
1 1 1 1  21 66  o 5.3860  1.4530 1.513000       2.906000  
1 1 1 1  21 67  o 9.7670  1.3670 0.1335000E-01  2.735000  
1 1 1 1  21 68  o 5.0700  1.4480 -1.556000      2.897000  
1 1 1 1  21 69  o 5.4590  1.4600 0.4476000      2.919000  
1 1 1 1  21 70  o 4.2750  1.3550 -0.1057000     2.710000  
1 1 1 1  21 71  o 4.3440  1.3620 -0.7841000     2.724000  
1 1 1 1  21 72  o 7.5960  1.4730 1.505000       2.945000  
1 1 1 1  21 73  o 5.0450  1.4890 -0.2509000     2.978000  
1 1 1 1  21 74  o 3.9570  1.2780 -0.4445000     2.556000  
1 1 1 1  21 75  o 3.6740  1.2190 -0.7014000     2.438000  
1 1 1 1  21 76  f 4.1310  1.4420 0.2281000      2.884000  
1 1 1 1  21 77  o 3.9840  1.3800 0.4540000      2.760000  
1 1 1 1  21 78  o 4.3390  1.4390 1.329000       2.878000  
1 1 1 1  21 79  o 4.0250  1.4060 0.5512000      2.811000  
1 1 1 1  21 80  o 3.4380  1.2410 0.1932000E-01  2.482000  
1 1 1 1  22 0   o 10.320  0.8196 0.000000       0.000000  
1 1 1 1  22 1   o 11.560  0.5165 -1.467000      1.033000  
1 1 1 1  22 2   o 11.380  0.5229 -0.8458000     1.046000  
1 1 1 1  22 3   o 11.480  0.6695 1.917000       1.339000  
1 1 1 1  22 4   o 30.580  0.4824 1.203000       0.9648000 
1 1 1 1  22 5   o 30.000  0.6147 -2.035000      1.229000  
1 1 1 1  22 6   o 36.650  0.5489 -0.1814000     1.098000  
1 1 1 1  22 7   o 21.130  0.6079 1.317000       1.216000  
1 1 1 1  22 8   o 20.100  0.4997 -0.3530000     0.9995000 
1 1 1 1  22 9   o 18.980  0.6131 -1.528000      1.226000  
1 1 1 1  22 10  o 35.270  0.5339 0.6675000      1.068000  
1 1 1 1  22 11  o 24.850  0.4797 -0.1698000     0.9594000 
1 1 1 1  22 12  f 18.010  0.6508 -13.57000      1.302000  
1 1 1 1  22 13  o 35.740  0.5421 -0.2085000     1.084000  
1 1 1 1  22 14  f 36.730  0.6017 -0.8986000     1.203000  
1 1 1 1  22 15  o 24.120  0.4895 -5.221000      0.9790000 
1 1 1 1  22 16  o 20.990  0.4443 -0.1526000     0.8887000 
1 1 1 1  22 17  o 20.390  0.4825 -1.429000      0.9651000 
1 1 1 1  22 18  o 10.930  0.6416 -1.863000      1.283000  
1 1 1 1  22 19  o 27.660  0.4764 0.7398000      0.9529000 
1 1 1 1  22 20  o 16.180  0.5816 -1.334000      1.163000  
1 1 1 1  22 21  o 20.910  0.4537 -0.2761000     0.9074000 
1 1 1 1  22 22  o 10.410  0.6852 -2.637000      1.370000  
1 1 1 1  22 23  o 19.760  0.4689 2.503000       0.9379000 
1 1 1 1  22 24  o 40.970  0.6133 0.4074000      1.227000  
1 1 1 1  22 25  o 26.190  0.6881 -11.54000      1.376000  
1 1 1 1  22 26  o 30.620  0.5098 0.7192000E-01  1.020000  
1 1 1 1  22 27  o 22.780  0.4801 0.5325000      0.9601000 
1 1 1 1  22 28  o 14.900  0.5953 -2.258000      1.191000  
1 1 1 1  22 29  o 22.420  0.5222 0.1972000      1.044000  
1 1 1 1  22 30  o 41.600  0.6272 -0.8707000     1.254000  
1 1 1 1  22 31  o 22.400  0.6202 0.2108000      1.240000  
1 1 1 1  22 32  o 28.500  0.5071 -0.9247000     1.014000  
1 1 1 1  22 33  o 7.3320  1.1280 -1.553000      2.255000  
1 1 1 1  22 34  o 20.770  0.4932 -0.2821000     0.9864000 
1 1 1 1  22 35  o 9.2530  0.8137 -0.5130000     1.627000  
1 1 1 1  22 36  o 15.380  0.5702 -1.465000      1.140000  
1 1 1 1  22 37  o 5.1850  1.2650 3.271000       2.531000  
1 1 1 1  22 38  o 5.5120  1.3520 -2.008000      2.703000  
1 1 1 1  22 39  o 12.220  0.8511 -1.141000      1.702000  
1 1 1 1  22 40  o 13.620  0.7576 1.338000       1.515000  
1 1 1 1  22 41  o 5.0160  1.3140 1.156000       2.628000  
1 1 1 1  22 42  o 5.1770  1.3590 1.053000       2.718000  
1 1 1 1  22 43  f 6.1760  1.3810 -1.690000      2.761000  
1 1 1 1  22 44  o 8.8200  1.2240 1.267000       2.447000  
1 1 1 1  22 45  o 13.960  0.8190 -1.807000      1.638000  
1 1 1 1  22 46  o 5.4560  1.4350 -0.2809000     2.869000  
1 1 1 1  22 47  o 18.550  0.7058 -0.1716000     1.412000  
1 1 1 1  22 48  o 7.1480  1.4440 -0.1188000     2.888000  
1 1 1 1  22 49  o 4.1440  1.2950 -0.3291000     2.590000  
1 1 1 1  22 50  o 10.620  1.1620 2.067000       2.323000  
1 1 1 1  22 51  o 4.6400  1.3800 0.9607000      2.761000  
1 1 1 1  22 52  o 7.8220  1.4040 1.048000       2.808000  
1 1 1 1  22 53  o 10.420  1.1290 0.1987000      2.257000  
1 1 1 1  22 54  o 3.9150  1.2520 -0.5297000     2.504000  
1 1 1 1  22 55  o 10.620  1.1050 -1.573000      2.210000  
1 1 1 1  22 56  o 7.4980  1.4550 0.5724000      2.909000  
1 1 1 1  22 57  o 8.3070  1.3760 3.018000       2.753000  
1 1 1 1  22 58  o 5.5190  1.4090 -2.367000      2.817000  
1 1 1 1  22 59  o 4.2290  1.3090 -0.6882000     2.619000  
1 1 1 1  22 60  o 5.2180  1.2970 -4.084000      2.594000  
1 1 1 1  22 61  o 5.7910  1.4910 0.4082000E-02  2.981000  
1 1 1 1  22 62  o 9.2180  1.3830 -0.1444000     2.766000  
1 1 1 1  22 63  o 5.2140  1.4940 0.6003000      2.988000  
1 1 1 1  22 64  o 5.3110  1.4490 2.299000       2.899000  
1 1 1 1  22 65  o 4.1140  1.3060 -1.160000      2.612000  
1 1 1 1  22 66  o 4.8400  1.4520 -0.1587000     2.904000  
1 1 1 1  22 67  o 7.3750  1.4980 -1.594000      2.996000  
1 1 1 1  22 68  o 5.1830  1.4120 0.9841000      2.825000  
1 1 1 1  22 69  f 4.9630  1.4480 0.6860000      2.895000  
1 1 1 1  22 70  o 3.7230  1.2340 0.6987000      2.467000  
1 1 1 1  22 71  f 4.1580  1.2990 -0.9552000     2.599000  
1 1 1 1  22 72  o 4.0730  1.3160 -0.3755000     2.633000  
1 1 1 1  22 73  o 3.5730  1.2030 -0.4803000     2.406000  
1 1 1 1  22 74  o 4.4190  1.3480 -0.5433000     2.696000  
1 1 1 1  22 75  o 4.1680  1.3140 -1.452000      2.628000  
1 1 1 1  22 76  o 4.1940  1.3040 0.6677000      2.608000  
1 1 1 1  22 77  o 4.2550  1.4970 -0.9219000     2.994000  
1 1 1 1  23 0   o 57.360  1.1500 -0.000000      0.000000  
1 1 1 1  23 1   o 27.130  0.6610 4.030000       1.322000  
1 1 1 1  23 2   o 23.060  0.4483 0.3208000      0.8967000 
1 1 1 1  23 3   o 12.200  0.6908 4.472000       1.382000  
1 1 1 1  23 4   o 20.250  0.4410 0.3605000      0.8820000 
1 1 1 1  23 5   o 28.290  0.5168 1.713000       1.034000  
1 1 1 1  23 6   f 32.150  0.5492 0.2349000      1.098000  
1 1 1 1  23 7   o 35.180  0.5429 -2.233000      1.086000  
1 1 1 1  23 8   o 32.940  0.6654 -1.286000      1.331000  
1 1 1 1  23 9   o 37.650  0.5709 -0.7132000     1.142000  
1 1 1 1  23 10  o 30.850  0.6636 -6.601000      1.327000  
1 1 1 1  23 11  o 32.750  0.6263 -3.046000      1.253000  
1 1 1 1  23 12  o 12.430  0.7891 0.5317000      1.578000  
1 1 1 1  23 13  o 25.710  0.4627 -0.5867000     0.9254000 
1 1 1 1  23 14  o 16.990  0.4998 -0.2281000     0.9995000 
1 1 1 1  23 15  o 16.040  0.4820 0.2154000      0.9640000 
1 1 1 1  23 16  o 11.380  0.6203 -0.9769000     1.241000  
1 1 1 1  23 17  o 10.030  0.6603 -1.612000      1.321000  
1 1 1 1  23 18  o 9.9550  0.7009 0.5417000      1.402000  
1 1 1 1  23 19  o 10.320  0.6553 -0.6064000     1.311000  
1 1 1 1  23 20  o 8.3770  0.8363 -0.5749000     1.673000  
1 1 1 1  23 21  o 18.030  0.4817 -0.9475000     0.9635000 
1 1 1 1  23 22  o 13.740  0.5548 0.1236000      1.110000  
1 1 1 1  23 23  o 26.540  0.4832 -0.2432000     0.9665000 
1 1 1 1  23 24  o 18.460  0.4847 0.2386000      0.9694000 
1 1 1 1  23 25  o 11.080  0.6840 -1.789000      1.368000  
1 1 1 1  23 26  o 20.090  0.4838 -0.4899000     0.9675000 
1 1 1 1  23 27  o 16.750  0.5208 -0.4827000     1.042000  
1 1 1 1  23 28  o 8.0280  0.9373 0.3305000      1.875000  
1 1 1 1  23 29  o 11.990  0.6521 -0.9266000E-02 1.304000  
1 1 1 1  23 30  o 7.2030  1.0490 -1.931000      2.097000  
1 1 1 1  23 31  o 15.220  0.5630 -1.576000      1.126000  
1 1 1 1  23 32  o 9.6130  0.8119 -0.7415000     1.624000  
1 1 1 1  23 33  o 10.680  0.7118 -0.5943000     1.424000  
1 1 1 1  23 34  o 12.340  0.6443 -1.154000      1.289000  
1 1 1 1  23 35  o 15.670  0.5498 0.8511000      1.100000  
1 1 1 1  23 36  o 16.440  0.5525 1.107000       1.105000  
1 1 1 1  23 37  o 6.5240  1.1640 0.6340000      2.328000  
1 1 1 1  23 38  o 17.630  0.6614 -0.8861000     1.323000  
1 1 1 1  23 39  o 7.9130  1.2490 -1.140000      2.499000  
1 1 1 1  23 40  o 6.0980  1.3520 -0.9770000     2.704000  
1 1 1 1  23 41  o 21.400  0.6469 -0.3396000     1.294000  
1 1 1 1  23 42  o 11.990  0.9358 -2.097000      1.872000  
1 1 1 1  23 43  o 11.340  0.9919 0.5970000      1.984000  
1 1 1 1  23 44  o 14.780  0.7813 -1.241000      1.563000  
1 1 1 1  23 45  f 6.8260  1.3710 -2.513000      2.742000  
1 1 1 1  23 46  o 4.5850  1.2930 -2.427000      2.585000  
1 1 1 1  23 47  o 7.8130  1.3280 2.259000       2.656000  
1 1 1 1  23 48  o 5.0880  1.3950 0.4039000      2.791000  
1 1 1 1  23 49  o 4.2950  1.3010 0.8225000      2.601000  
1 1 1 1  23 50  o 4.7420  1.3650 1.337000       2.731000  
1 1 1 1  23 51  o 5.0350  1.4200 -0.5032000     2.839000  
1 1 1 1  23 52  o 4.7970  1.3820 0.9902000      2.764000  
1 1 1 1  23 53  o 6.2270  1.4580 -0.4920000     2.917000  
1 1 1 1  23 54  o 5.0930  1.3970 -1.763000      2.795000  
1 1 1 1  23 55  o 6.6980  1.4910 -0.2079000     2.981000  
1 1 1 1  23 56  o 7.3420  1.4910 -1.086000      2.981000  
1 1 1 1  23 57  o 7.4000  1.4700 1.289000       2.940000  
1 1 1 1  23 58  o 3.9230  1.2680 0.1313000      2.535000  
1 1 1 1  23 59  o 3.7110  1.2240 -0.1057000     2.448000  
1 1 1 1  23 60  o 10.390  1.1890 1.791000       2.377000  
1 1 1 1  23 61  o 5.2820  1.3860 -3.318000      2.772000  
1 1 1 1  23 62  o 5.7990  1.5170 0.4550000      3.034000  
1 1 1 1  23 63  o 5.6990  1.4200 -1.842000      2.839000  
1 1 1 1  23 64  o 4.5130  1.3570 -0.5294000E-01 2.714000  
1 1 1 1  23 65  o 4.7330  1.3940 1.198000       2.788000  
1 1 1 1  23 66  o 3.9080  1.2700 0.7044000      2.540000  
1 1 1 1  23 67  o 5.0540  1.4160 1.125000       2.833000  
1 1 1 1  23 68  o 4.0530  1.2770 1.859000       2.554000  
1 1 1 1  23 69  o 4.0560  1.3070 -0.1079000     2.613000  
1 1 1 1  23 70  o 3.8860  1.2610 0.4662000      2.523000  
1 1 1 1  23 71  o 4.3660  1.3110 1.780000       2.623000  
1 1 1 1  23 72  f 4.5030  1.3720 0.5449000      2.744000  
1 1 1 1  23 73  o 3.8280  1.2400 0.1349000      2.480000  
1 1 1 1  23 74  f 3.9450  1.4010 0.1470000      2.802000  
1 1 1 1  24 0   o 20.820  0.9202 0.000000       0.000000  
1 1 1 1  24 1   o 40.580  0.6043 -0.4337000     1.209000  
1 1 1 1  24 2   o 29.370  0.7294 -15.28000      1.459000  
1 1 1 1  24 3   o 28.840  0.5911 3.019000       1.182000  
1 1 1 1  24 4   o 40.900  0.6107 2.305000       1.221000  
1 1 1 1  24 5   f 35.670  0.6663 -4.460000      1.333000  
1 1 1 1  24 6   o 23.040  0.6814 -11.19000      1.363000  
1 1 1 1  24 7   o 28.120  0.4797 -0.8189000     0.9595000 
1 1 1 1  24 8   o 18.320  0.6053 3.560000       1.211000  
1 1 1 1  24 9   o 13.090  0.9358 -9.699000      1.872000  
1 1 1 1  24 10  f 25.120  0.4645 -0.8586000E-01 0.9291000 
1 1 1 1  24 11  o 47.770  0.6949 0.5813000      1.390000  
1 1 1 1  24 12  o 15.770  0.6950 0.5870000      1.390000  
1 1 1 1  24 13  o 18.660  0.5441 -1.936000      1.088000  
1 1 1 1  24 14  o 11.910  0.6408 0.9867000      1.282000  
1 1 1 1  24 15  f 24.950  0.4777 -0.4933000     0.9555000 
1 1 1 1  24 16  f 18.780  0.5644 0.9174000E-01  1.129000  
1 1 1 1  24 17  f 16.040  0.5159 0.6842000      1.032000  
1 1 1 1  24 18  o 13.610  0.5568 -1.127000      1.114000  
1 1 1 1  24 19  o 10.620  0.6980 0.4875000      1.396000  
1 1 1 1  24 20  o 16.320  0.5119 -2.001000      1.024000  
1 1 1 1  24 21  o 24.880  0.4827 -0.1585000     0.9653000 
1 1 1 1  24 22  o 13.020  0.7227 4.988000       1.445000  
1 1 1 1  24 23  o 15.940  0.5254 -1.015000      1.051000  
1 1 1 1  24 24  o 19.960  0.5337 0.1726000      1.067000  
1 1 1 1  24 25  o 26.210  0.4937 0.6903000E-01  0.9873000 
1 1 1 1  24 26  o 26.380  0.4992 -1.158000      0.9984000 
1 1 1 1  24 27  o 27.950  0.6389 -4.455000      1.278000  
1 1 1 1  24 28  o 9.7330  0.7969 -0.1030000     1.594000  
1 1 1 1  24 29  o 14.000  0.5811 0.7957000      1.162000  
1 1 1 1  24 30  f 16.730  0.5438 0.8371000      1.088000  
1 1 1 1  24 31  o 9.7900  0.8022 -2.437000      1.604000  
1 1 1 1  24 32  o 5.7720  1.1930 -0.3522000     2.386000  
1 1 1 1  24 33  o 13.180  0.6269 0.4406000      1.254000  
1 1 1 1  24 34  o 8.3780  0.9353 -0.8884000E-01 1.871000  
1 1 1 1  24 35  o 9.9420  0.8259 -1.855000      1.652000  
1 1 1 1  24 36  o 5.8760  1.0730 3.219000       2.146000  
1 1 1 1  24 37  f 6.5600  1.1440 0.4135000      2.287000  
1 1 1 1  24 38  o 4.3060  1.1710 0.6174000      2.343000  
1 1 1 1  24 39  o 18.270  0.6626 0.2511000      1.325000  
1 1 1 1  24 40  o 11.900  0.9278 -0.8241000E-01 1.856000  
1 1 1 1  24 41  o 10.090  1.0820 0.5166000      2.164000  
1 1 1 1  24 42  o 7.4300  1.3110 3.855000       2.622000  
1 1 1 1  24 43  o 5.0400  1.3770 -1.362000      2.754000  
1 1 1 1  24 44  o 3.5470  1.1640 1.161000       2.328000  
1 1 1 1  24 45  o 7.0900  1.3690 -2.500000      2.739000  
1 1 1 1  24 46  o 7.9210  1.3230 -0.5619000     2.645000  
1 1 1 1  24 47  o 4.1130  1.2730 -0.1084000     2.546000  
1 1 1 1  24 48  o 9.5200  1.1490 0.5047000      2.299000  
1 1 1 1  24 49  o 3.4320  1.1450 -0.3048000     2.290000  
1 1 1 1  24 50  o 7.3760  1.4090 0.8944000      2.819000  
1 1 1 1  24 51  o 8.9130  1.3460 1.605000       2.692000  
1 1 1 1  24 52  f 12.410  0.9535 -0.6280000     1.907000  
1 1 1 1  24 53  o 5.9050  1.5050 -0.4653000     3.010000  
1 1 1 1  24 54  o 4.0280  1.2750 0.4520000E-01  2.550000  
1 1 1 1  24 55  o 6.7740  1.4770 -0.1431000     2.953000  
1 1 1 1  24 56  o 3.8350  1.2440 0.1060000      2.489000  
1 1 1 1  24 57  o 4.4530  1.3480 0.9139000      2.697000  
1 1 1 1  24 58  o 3.6460  1.1950 1.867000       2.390000  
1 1 1 1  24 59  o 4.0590  1.2870 -0.6214000     2.574000  
1 1 1 1  24 60  o 3.7830  1.2340 0.2469000      2.467000  
1 1 1 1  24 61  o 10.700  1.1510 0.6731000      2.301000  
1 1 1 1  24 62  f 3.6900  1.2150 0.9279000      2.431000  
1 1 1 1  24 63  o 3.9640  1.2650 0.1852000      2.530000  
1 1 1 1  24 64  o 3.8300  1.2380 -1.082000      2.475000  
1 1 1 1  24 65  o 3.9640  1.2800 0.5220000      2.561000  
1 1 1 1  24 66  o 4.7580  1.3900 1.595000       2.779000  
1 1 1 1  24 67  o 4.2580  1.3090 0.9509000      2.619000  
1 1 1 1  24 68  o 3.2540  1.1080 0.1591000      2.216000  
1 1 1 1  24 69  o 4.5310  1.3580 0.6237000      2.717000  
1 1 1 1  24 70  o 3.7850  1.2170 0.5100000      2.434000  
1 1 1 1  24 71  o 3.6160  1.2960 0.3050000      2.592000  
1 1 1 1  25 0   o 12.950  0.8195 -0.000000      0.000000  
1 1 1 1  25 1   o 16.200  0.4939 0.4718000      0.9878000 
1 1 1 1  25 2   o 20.880  0.5887 -4.437000      1.177000  
1 1 1 1  25 3   o 28.880  0.4903 0.9674000      0.9806000 
1 1 1 1  25 4   o 18.400  0.6247 -5.559000      1.249000  
1 1 1 1  25 5   o 20.170  0.4633 2.270000       0.9266000 
1 1 1 1  25 6   o 23.840  0.4629 -1.894000      0.9257000 
1 1 1 1  25 7   o 19.520  0.4696 0.6223000      0.9391000 
1 1 1 1  25 8   f 10.220  0.7697 -2.578000      1.539000  
1 1 1 1  25 9   f 16.520  0.5001 0.8674000      1.000000  
1 1 1 1  25 10  o 14.770  0.5489 -0.8621000     1.098000  
1 1 1 1  25 11  o 25.710  0.4828 0.7589000      0.9656000 
1 1 1 1  25 12  o 22.910  0.5519 1.766000       1.104000  
1 1 1 1  25 13  f 21.490  0.4818 1.030000       0.9636000 
1 1 1 1  25 14  o 23.010  0.4723 -0.7881000     0.9446000 
1 1 1 1  25 15  o 18.100  0.5463 3.380000       1.093000  
1 1 1 1  25 16  o 12.150  0.6082 -0.2050000     1.216000  
1 1 1 1  25 17  f 12.080  0.6363 -1.113000      1.273000  
1 1 1 1  25 18  o 13.550  0.5619 -0.1526000     1.124000  
1 1 1 1  25 19  o 15.080  0.5439 -0.1656000     1.088000  
1 1 1 1  25 20  f 7.2180  1.0270 -2.795000      2.053000  
1 1 1 1  25 21  o 12.790  0.6099 0.8381000      1.220000  
1 1 1 1  25 22  o 14.700  0.5617 0.4363000      1.123000  
1 1 1 1  25 23  o 20.430  0.4879 -0.3883000E-01 0.9759000 
1 1 1 1  25 24  f 18.830  0.5142 -1.186000      1.028000  
1 1 1 1  25 25  o 13.710  0.5863 2.117000       1.173000  
1 1 1 1  25 26  o 12.240  0.6443 0.5088000      1.289000  
1 1 1 1  25 27  o 12.950  0.6358 -0.6536000     1.272000  
1 1 1 1  25 28  o 11.400  0.6879 0.2885000      1.376000  
1 1 1 1  25 29  o 15.230  0.5616 -0.9623000E-01 1.123000  
1 1 1 1  25 30  o 9.2090  0.9073 2.934000       1.815000  
1 1 1 1  25 31  o 31.720  0.5377 0.3176000E-01  1.075000  
1 1 1 1  25 32  o 9.5620  1.0020 -3.537000      2.004000  
1 1 1 1  25 33  o 9.0450  0.8853 -1.193000      1.771000  
1 1 1 1  25 34  o 21.850  0.5008 -0.5539000     1.002000  
1 1 1 1  25 35  o 9.9750  0.8433 2.457000       1.687000  
1 1 1 1  25 36  o 11.820  0.6882 1.338000       1.376000  
1 1 1 1  25 37  o 4.3450  1.1830 -1.046000      2.366000  
1 1 1 1  25 38  o 6.8590  1.1430 -2.149000      2.286000  
1 1 1 1  25 39  o 7.0340  1.2410 0.2323000      2.483000  
1 1 1 1  25 40  o 6.6840  1.3480 1.814000       2.695000  
1 1 1 1  25 41  o 6.3220  1.3990 -0.3659000     2.798000  
1 1 1 1  25 42  o 15.000  0.7466 -0.6597000     1.493000  
1 1 1 1  25 43  o 6.3790  1.3980 -0.4806000     2.797000  
1 1 1 1  25 44  o 5.8340  1.4060 1.088000       2.812000  
1 1 1 1  25 45  o 5.0080  1.3890 0.5359000      2.778000  
1 1 1 1  25 46  o 7.7770  1.3500 1.593000       2.699000  
1 1 1 1  25 47  o 5.9230  1.4360 1.389000       2.871000  
1 1 1 1  25 48  o 6.7710  1.4360 -0.4943000     2.873000  
1 1 1 1  25 49  o 8.2810  1.3170 0.5916000      2.635000  
1 1 1 1  25 50  o 5.3830  1.4260 -0.3920000     2.853000  
1 1 1 1  25 51  o 3.9830  1.2540 -0.7395000     2.508000  
1 1 1 1  25 52  o 3.0740  1.0560 -0.6691000     2.112000  
1 1 1 1  25 53  o 11.400  0.9998 -0.7336000     2.000000  
1 1 1 1  25 54  o 4.5620  1.3290 -1.934000      2.658000  
1 1 1 1  25 55  o 5.2320  1.4400 -0.7927000     2.880000  
1 1 1 1  25 56  o 7.9860  1.3790 0.9739000      2.758000  
1 1 1 1  25 57  o 3.5790  1.1810 0.2361000      2.361000  
1 1 1 1  25 58  o 3.5180  1.1710 0.8063000      2.341000  
1 1 1 1  25 59  o 9.7070  1.2650 0.5262000      2.531000  
1 1 1 1  25 60  o 5.5620  1.4820 -0.1763000     2.965000  
1 1 1 1  25 61  o 4.7700  1.4200 -1.087000      2.840000  
1 1 1 1  25 62  o 6.4650  1.5310 0.3008000E-01  3.062000  
1 1 1 1  25 63  o 3.8060  1.2410 -1.009000      2.482000  
1 1 1 1  25 64  o 3.4390  1.1520 -0.5089000     2.304000  
1 1 1 1  25 65  o 3.6700  1.2030 -0.1424000     2.405000  
1 1 1 1  25 66  o 3.5650  1.1570 1.577000       2.315000  
1 1 1 1  25 67  o 4.2750  1.4750 -0.4339000E-01 2.950000  
1 1 1 1  26 0   o 16.670  0.7124 -0.000000      0.000000  
1 1 1 1  26 1   o 12.900  0.6702 -3.305000      1.340000  
1 1 1 1  26 2   o 20.200  0.4709 1.307000       0.9418000 
1 1 1 1  26 3   o 21.640  0.6952 -5.743000      1.390000  
1 1 1 1  26 4   o 27.970  0.5344 -0.3403000E-01 1.069000  
1 1 1 1  26 5   o 32.720  0.5316 0.1921000      1.063000  
1 1 1 1  26 6   o 28.420  0.6457 -6.458000      1.291000  
1 1 1 1  26 7   o 29.580  0.5019 -0.2728000     1.004000  
1 1 1 1  26 8   o 24.250  0.5552 -2.225000      1.110000  
1 1 1 1  26 9   o 12.300  0.8046 -8.032000      1.609000  
1 1 1 1  26 10  o 15.560  0.5120 0.2525000      1.024000  
1 1 1 1  26 11  o 17.730  0.4984 1.590000       0.9968000 
1 1 1 1  26 12  o 8.3580  0.8434 0.2406000      1.687000  
1 1 1 1  26 13  o 11.490  0.7609 -2.907000      1.522000  
1 1 1 1  26 14  o 16.190  0.5107 -0.4901000     1.021000  
1 1 1 1  26 15  o 9.7160  0.7649 -0.4255000     1.530000  
1 1 1 1  26 16  o 6.1880  1.1020 -0.7261000     2.204000  
1 1 1 1  26 17  f 9.3660  0.7623 1.775000       1.525000  
1 1 1 1  26 18  o 5.5860  1.1760 -0.2252000     2.351000  
1 1 1 1  26 19  o 7.8690  0.9282 1.461000       1.856000  
1 1 1 1  26 20  f 9.4010  0.8102 1.689000       1.620000  
1 1 1 1  26 21  o 15.290  0.5439 1.087000       1.088000  
1 1 1 1  26 22  o 13.140  0.6211 0.3169000      1.242000  
1 1 1 1  26 23  o 5.0560  1.2080 -0.8325000     2.417000  
1 1 1 1  26 24  o 8.7200  0.8486 1.006000       1.697000  
1 1 1 1  26 25  o 7.0470  1.0620 2.275000       2.124000  
1 1 1 1  26 26  o 21.780  0.4992 0.4858000      0.9984000 
1 1 1 1  26 27  f 12.840  0.8278 -4.234000      1.656000  
1 1 1 1  26 28  o 13.070  0.6304 -1.171000      1.261000  
1 1 1 1  26 29  o 12.410  0.6601 0.5688000      1.320000  
1 1 1 1  26 30  o 13.820  0.6068 -1.048000      1.214000  
1 1 1 1  26 31  o 11.610  0.6976 1.389000       1.395000  
1 1 1 1  26 32  o 5.4670  1.2450 -0.5400000     2.489000  
1 1 1 1  26 33  o 13.120  0.6451 2.030000       1.290000  
1 1 1 1  26 34  o 14.450  0.5884 0.3557000      1.177000  
1 1 1 1  26 35  o 5.3480  1.2470 -0.1556000     2.494000  
1 1 1 1  26 36  o 7.9720  0.9994 -0.1570000     1.999000  
1 1 1 1  26 37  o 16.420  0.5468 -0.1752000     1.094000  
1 1 1 1  26 38  o 11.860  0.7118 1.624000       1.424000  
1 1 1 1  26 39  o 2.6950  0.9179 0.5019000E-01  1.836000  
1 1 1 1  26 40  o 4.5740  1.2510 -1.542000      2.501000  
1 1 1 1  26 41  o 7.8840  1.2660 1.299000       2.532000  
1 1 1 1  26 42  o 5.9820  1.3330 -2.325000      2.665000  
1 1 1 1  26 43  o 4.3440  1.2870 0.4874000      2.574000  
1 1 1 1  26 44  o 5.1410  1.3730 -0.3976000     2.745000  
1 1 1 1  26 45  o 4.0340  1.1980 -2.514000      2.397000  
1 1 1 1  26 46  o 5.0660  1.3500 -2.000000      2.700000  
1 1 1 1  26 47  o 6.6880  1.3930 -1.830000      2.785000  
1 1 1 1  26 48  o 5.5740  1.4280 -0.2092000     2.855000  
1 1 1 1  26 49  o 3.0370  1.0450 -0.1726000E-01 2.090000  
1 1 1 1  26 50  o 8.4110  1.2710 -2.613000      2.542000  
1 1 1 1  26 51  o 5.2740  1.4210 1.312000       2.843000  
1 1 1 1  26 52  o 4.0930  1.2720 1.526000       2.543000  
1 1 1 1  26 53  o 12.940  0.9900 1.465000       1.980000  
1 1 1 1  26 54  o 4.5940  1.3680 0.5493000      2.737000  
1 1 1 1  26 55  o 3.4790  1.1590 0.3902000      2.319000  
1 1 1 1  26 56  o 7.4460  1.4100 -1.071000      2.821000  
1 1 1 1  26 57  o 3.9120  1.2510 0.3788000      2.502000  
1 1 1 1  26 58  o 4.5190  1.3420 -0.9944000     2.684000  
1 1 1 1  26 59  o 4.9920  1.3750 -1.841000      2.750000  
1 1 1 1  26 60  o 3.8790  1.2440 -0.4039000     2.488000  
1 1 1 1  26 61  f 3.2560  1.0980 0.4823000      2.196000  
1 1 1 1  26 62  f 3.7390  1.2090 -0.1956000E-01 2.418000  
1 1 1 1  26 63  o 3.7550  1.2220 0.1901000      2.443000  
1 1 1 1  27 0   o 10.960  0.9158 -0.000000      0.000000  
1 1 1 1  27 1   o 15.450  0.5286 -0.1530000E-01 1.057000  
1 1 1 1  27 2   o 7.5500  0.9763 3.128000       1.953000  
1 1 1 1  27 3   o 6.6900  1.0170 1.307000       2.034000  
1 1 1 1  27 4   o 16.930  0.5089 -0.3633000E-01 1.018000  
1 1 1 1  27 5   o 15.530  0.5333 1.212000       1.067000  
1 1 1 1  27 6   o 9.0750  0.7733 -0.5503000     1.547000  
1 1 1 1  27 7   o 16.780  0.5219 -0.8379000E-02 1.044000  
1 1 1 1  27 8   o 18.160  0.4971 -0.5035000     0.9942000 
1 1 1 1  27 9   o 12.390  0.5997 0.8030000      1.199000  
1 1 1 1  27 10  o 13.610  0.6601 -2.948000      1.320000  
1 1 1 1  27 11  o 16.130  0.5190 -0.7213000     1.038000  
1 1 1 1  27 12  o 16.580  0.5678 4.508000       1.136000  
1 1 1 1  27 13  o 19.610  0.5011 -0.4163000     1.002000  
1 1 1 1  27 14  o 12.640  0.6553 -3.361000      1.311000  
1 1 1 1  27 15  o 18.610  0.4994 -0.7484000     0.9988000 
1 1 1 1  27 16  o 18.880  0.4969 -0.7829000     0.9937000 
1 1 1 1  27 17  o 10.050  0.7360 0.7781000      1.472000  
1 1 1 1  27 18  o 9.6620  0.7812 0.4939000      1.562000  
1 1 1 1  27 19  o 10.820  0.7431 -2.031000      1.486000  
1 1 1 1  27 20  o 10.320  0.7424 -0.3718000     1.485000  
1 1 1 1  27 21  o 10.010  0.7916 -1.789000      1.583000  
1 1 1 1  27 22  o 8.7030  0.8880 -0.5189000     1.776000  
1 1 1 1  27 23  o 12.250  0.7243 2.276000       1.449000  
1 1 1 1  27 24  o 24.160  0.4989 -1.168000      0.9978000 
1 1 1 1  27 25  o 16.430  0.5384 -0.5078000     1.077000  
1 1 1 1  27 26  o 9.4710  0.8217 1.253000       1.643000  
1 1 1 1  27 27  o 12.740  0.6459 -0.8779000     1.292000  
1 1 1 1  27 28  o 7.4240  1.0650 -0.7277000     2.130000  
1 1 1 1  27 29  o 6.5590  1.1500 0.2654000      2.300000  
1 1 1 1  27 30  o 8.7590  0.8805 -1.189000      1.761000  
1 1 1 1  27 31  o 4.6230  1.2110 -0.5180000     2.423000  
1 1 1 1  27 32  o 8.7110  0.9098 -0.6623000E-01 1.820000  
1 1 1 1  27 33  o 7.2560  1.0250 -0.2453000     2.049000  
1 1 1 1  27 34  f 7.2920  1.0610 0.4541000      2.123000  
1 1 1 1  27 35  o 15.050  0.5886 -1.391000      1.177000  
1 1 1 1  27 36  o 5.9220  1.1500 -2.031000      2.300000  
1 1 1 1  27 37  o 11.090  0.7084 0.3741000      1.417000  
1 1 1 1  27 38  o 4.4800  1.2160 0.6230000E-01  2.433000  
1 1 1 1  27 39  o 5.6830  1.1690 2.526000       2.338000  
1 1 1 1  27 40  o 7.0190  1.1030 -0.2233000     2.207000  
1 1 1 1  27 41  o 7.8590  1.1830 1.585000       2.367000  
1 1 1 1  27 42  o 5.7410  1.4030 1.778000       2.807000  
1 1 1 1  27 43  o 11.550  0.9366 0.9640000      1.873000  
1 1 1 1  27 44  o 4.9070  1.3610 1.119000       2.721000  
1 1 1 1  27 45  o 4.5060  1.3170 1.060000       2.633000  
1 1 1 1  27 46  o 5.7230  1.3940 2.114000       2.788000  
1 1 1 1  27 47  o 4.7260  1.3800 0.2203000      2.760000  
1 1 1 1  27 48  o 4.5020  1.3550 -0.5862000E-01 2.710000  
1 1 1 1  27 49  o 3.5670  1.1790 0.9375000      2.359000  
1 1 1 1  27 50  o 5.2960  1.4240 -1.261000      2.847000  
1 1 1 1  27 51  o 4.4370  1.3300 0.4955000      2.661000  
1 1 1 1  27 52  o 6.3350  1.4380 -0.1970000     2.876000  
1 1 1 1  27 53  o 3.7500  1.2100 -0.3803000     2.420000  
1 1 1 1  27 54  o 5.5500  1.4300 -0.6561000     2.860000  
1 1 1 1  27 55  o 4.1820  1.3010 1.646000       2.603000  
1 1 1 1  27 56  o 4.3270  1.2970 1.002000       2.594000  
1 1 1 1  27 57  o 3.5250  1.1590 -0.2806000     2.318000  
1 1 1 1  27 58  o 4.1680  1.2790 0.5091000      2.558000  
1 1 1 1  27 59  o 4.0090  1.2830 -0.4366000     2.567000  
1 1 1 1  28 0   o 6.9340  1.7070 0.000000       0.000000  
1 1 1 1  28 1   o 11.200  0.6713 -1.021000      1.343000  
1 1 1 1  28 2   o 11.110  0.6778 -0.4544000     1.356000  
1 1 1 1  28 3   o 13.750  0.5922 -0.4530000     1.184000  
1 1 1 1  28 4   o 16.190  0.5271 -0.4888000     1.054000  
1 1 1 1  28 5   o 14.670  0.5543 1.123000       1.109000  
1 1 1 1  28 6   o 11.490  0.6753 0.5106000      1.351000  
1 1 1 1  28 7   o 13.990  0.5780 -1.309000      1.156000  
1 1 1 1  28 8   o 17.330  0.5070 -0.3992000     1.014000  
1 1 1 1  28 9   o 11.410  0.6936 2.283000       1.387000  
1 1 1 1  28 10  o 9.5170  0.7997 1.868000       1.599000  
1 1 1 1  28 11  o 11.140  0.6747 -1.752000      1.349000  
1 1 1 1  28 12  o 18.560  0.5702 -0.4045000     1.140000  
1 1 1 1  28 13  o 21.380  0.4969 0.1182000      0.9938000 
1 1 1 1  28 14  o 8.1960  0.9537 -2.744000      1.907000  
1 1 1 1  28 15  o 14.660  0.5673 0.2497000      1.135000  
1 1 1 1  28 16  o 9.8940  0.7838 -2.031000      1.568000  
1 1 1 1  28 17  o 4.9560  1.1830 -0.5194000     2.365000  
1 1 1 1  28 18  o 6.1480  1.1440 0.8786000      2.289000  
1 1 1 1  28 19  o 6.5960  1.1120 1.313000       2.223000  
1 1 1 1  28 20  o 13.530  0.6074 0.5860000      1.215000  
1 1 1 1  28 21  o 7.3190  1.0670 -0.9975000     2.135000  
1 1 1 1  28 22  o 12.810  0.6375 0.3447000      1.275000  
1 1 1 1  28 23  o 12.650  0.6501 -1.914000      1.300000  
1 1 1 1  28 24  o 16.480  0.5640 -0.1218000     1.128000  
1 1 1 1  28 25  o 11.390  0.7095 0.8446000      1.419000  
1 1 1 1  28 26  o 5.7090  1.1670 2.035000       2.335000  
1 1 1 1  28 27  f 4.6290  1.2050 0.5426000      2.410000  
1 1 1 1  28 28  o 4.2520  1.1830 -0.1808000     2.367000  
1 1 1 1  28 29  o 12.560  0.6563 0.6388000      1.313000  
1 1 1 1  28 30  o 14.530  0.5970 -1.448000      1.194000  
1 1 1 1  28 31  f 4.7790  1.1890 -1.433000      2.378000  
1 1 1 1  28 32  o 7.5710  1.0210 -0.3383000     2.041000  
1 1 1 1  28 33  o 11.440  0.7268 0.5318000      1.454000  
1 1 1 1  28 34  o 4.5560  1.2200 -0.4052000     2.440000  
1 1 1 1  28 35  o 4.2660  1.1490 -1.487000      2.298000  
1 1 1 1  28 36  o 3.0970  0.9976 -0.8819000     1.995000  
1 1 1 1  28 37  o 7.0060  1.1210 -2.718000      2.242000  
1 1 1 1  28 38  o 4.8000  1.1460 -2.903000      2.293000  
1 1 1 1  28 39  o 6.9180  1.1160 -0.4564000     2.232000  
1 1 1 1  28 40  o 4.3920  1.1960 0.1998000      2.393000  
1 1 1 1  28 41  o 3.8140  1.1330 0.9893000      2.267000  
1 1 1 1  28 42  o 4.8160  1.3130 -1.899000      2.626000  
1 1 1 1  28 43  o 15.370  0.7989 -0.4537000     1.598000  
1 1 1 1  28 44  o 6.7210  1.4180 -2.088000      2.836000  
1 1 1 1  28 45  o 4.6770  1.3200 -2.280000      2.640000  
1 1 1 1  28 46  o 3.9960  1.2390 1.177000       2.479000  
1 1 1 1  28 47  o 4.7830  1.3170 -2.082000      2.633000  
1 1 1 1  28 48  o 4.0210  1.2360 1.364000       2.471000  
1 1 1 1  28 49  o 4.1970  1.2220 -2.730000      2.445000  
1 1 1 1  28 50  o 4.3090  1.3080 -0.6712000     2.617000  
1 1 1 1  28 51  o 3.5180  1.1670 -0.1178000E-01 2.334000  
1 1 1 1  28 52  o 3.4610  1.1530 -0.3673000     2.306000  
1 1 1 1  28 53  o 4.9230  1.3960 -0.2104000     2.792000  
1 1 1 1  28 54  f 3.8600  1.2390 -0.1021000     2.477000  
1 1 1 1  28 55  o 3.3250  1.1950 0.2949000      2.390000  
1 1 1 1  29 0   o 2.4620  1.6200 -0.000000      0.000000  
1 1 1 1  29 1   o 4.8130  1.1780 -0.4028000     2.356000  
1 1 1 1  29 2   o 8.4070  0.8438 0.5398000      1.688000  
1 1 1 1  29 3   o 5.4520  1.1660 0.3932000      2.332000  
1 1 1 1  29 4   o 7.4510  1.0490 -1.657000      2.098000  
1 1 1 1  29 5   o 10.660  0.7192 -2.184000      1.438000  
1 1 1 1  29 6   o 7.3100  0.9822 -3.486000      1.964000  
1 1 1 1  29 7   o 7.0810  1.0320 0.1628000      2.064000  
1 1 1 1  29 8   o 7.1140  1.0690 -1.955000      2.139000  
1 1 1 1  29 9   o 4.2210  1.1210 -1.726000      2.242000  
1 1 1 1  29 10  o 4.5450  1.1640 -0.3443000     2.328000  
1 1 1 1  29 11  o 11.460  0.6813 1.847000       1.363000  
1 1 1 1  29 12  o 16.920  0.5389 1.085000       1.078000  
1 1 1 1  29 13  o 13.910  0.5964 1.477000       1.193000  
1 1 1 1  29 14  o 6.8440  1.0580 3.724000       2.115000  
1 1 1 1  29 15  o 5.3290  1.1980 1.236000       2.396000  
1 1 1 1  29 16  o 5.4100  1.2110 0.7808000E-01  2.422000  
1 1 1 1  29 17  o 5.1330  1.1460 -2.343000      2.292000  
1 1 1 1  29 18  o 4.0620  1.1490 -0.7378000     2.297000  
1 1 1 1  29 19  o 4.5530  1.1950 -0.4063000     2.390000  
1 1 1 1  29 20  o 6.7710  1.1270 1.323000       2.253000  
1 1 1 1  29 21  o 6.6390  1.1550 0.2161000      2.311000  
1 1 1 1  29 22  o 14.890  0.5969 -2.087000      1.194000  
1 1 1 1  29 23  o 7.3230  1.0590 -0.5884000     2.118000  
1 1 1 1  29 24  o 5.0180  1.2170 -0.2003000     2.434000  
1 1 1 1  29 25  o 7.3700  1.0740 -1.137000      2.148000  
1 1 1 1  29 26  o 6.6240  1.1360 0.7741000      2.272000  
1 1 1 1  29 27  o 9.9040  0.7989 -0.7425000     1.598000  
1 1 1 1  29 28  o 7.5560  1.0390 0.1021000      2.077000  
1 1 1 1  29 29  o 6.6090  1.1310 -0.4364000     2.263000  
1 1 1 1  29 30  o 5.7520  1.1830 -0.8113000     2.366000  
1 1 1 1  29 31  o 8.3160  0.9253 0.4857000      1.851000  
1 1 1 1  29 32  o 7.7440  1.0340 -0.5052000     2.068000  
1 1 1 1  29 33  o 4.0960  1.1700 0.4082000      2.340000  
1 1 1 1  29 34  o 3.7950  1.1070 0.9472000      2.214000  
1 1 1 1  29 35  o 5.9000  1.1690 -0.6241000     2.338000  
1 1 1 1  29 36  o 8.2060  1.0000 2.037000       2.000000  
1 1 1 1  29 37  o 6.2090  1.2120 0.8227000      2.424000  
1 1 1 1  29 38  o 5.2230  1.1840 -1.720000      2.367000  
1 1 1 1  29 39  o 7.4550  1.0520 -1.257000      2.105000  
1 1 1 1  29 40  o 5.6820  1.1640 2.229000       2.328000  
1 1 1 1  29 41  o 6.2250  1.2220 -0.3865000     2.445000  
1 1 1 1  29 42  o 4.7890  1.2180 1.227000       2.437000  
1 1 1 1  29 43  o 4.8000  1.2300 1.465000       2.460000  
1 1 1 1  29 44  o 5.3880  1.3590 -2.164000      2.717000  
1 1 1 1  29 45  o 4.0160  1.2610 0.1625000      2.522000  
1 1 1 1  29 46  o 4.5040  1.3150 -1.501000      2.630000  
1 1 1 1  29 47  o 3.7650  1.2200 0.3808000      2.441000  
1 1 1 1  29 48  o 5.3460  1.4410 -0.2693000     2.882000  
1 1 1 1  29 49  o 4.9280  1.5060 -1.175000      3.011000  
1 1 1 1  29 50  o 3.4110  1.2290 -0.1552000     2.457000  
1 1 1 1  30 0   f 16.350  0.7375 -0.000000      0.000000  
1 1 1 1  30 1   o 9.9880  0.7779 -0.7877000     1.556000  
1 1 1 1  30 2   o 9.6450  0.8129 0.7189000      1.626000  
1 1 1 1  30 3   o 13.010  0.6283 -0.5699000     1.257000  
1 1 1 1  30 4   o 8.1790  0.9627 2.340000       1.925000  
1 1 1 1  30 5   o 5.1590  1.1790 1.437000       2.357000  
1 1 1 1  30 6   f 9.9660  0.7737 -0.6944000E-01 1.547000  
1 1 1 1  30 7   o 4.7910  1.1780 0.7162000      2.356000  
1 1 1 1  30 8   o 5.3590  1.0420 -3.831000      2.085000  
1 1 1 1  30 9   o 13.630  0.5842 0.5952000E-01  1.168000  
1 1 1 1  30 10  o 9.9830  0.8318 4.590000       1.664000  
1 1 1 1  30 11  o 5.8870  1.1660 -0.3786000     2.332000  
1 1 1 1  30 12  o 5.5140  1.1610 -0.6780000     2.321000  
1 1 1 1  30 13  o 5.3330  1.1380 1.758000       2.277000  
1 1 1 1  30 14  f 5.2100  1.1800 1.009000       2.361000  
1 1 1 1  30 15  o 3.8200  1.1240 -0.6165000     2.249000  
1 1 1 1  30 16  o 5.7490  1.1460 -2.260000      2.291000  
1 1 1 1  30 17  o 5.5320  1.1080 2.903000       2.215000  
1 1 1 1  30 18  o 4.7340  1.1900 -0.3719000     2.380000  
1 1 1 1  30 19  o 4.9070  1.1940 0.8549000      2.387000  
1 1 1 1  30 20  o 5.6240  1.1690 2.222000       2.338000  
1 1 1 1  30 21  o 11.090  0.7239 0.4469000      1.448000  
1 1 1 1  30 22  f 11.850  0.6982 0.6789000E-01  1.396000  
1 1 1 1  30 23  f 6.7530  1.1150 -1.959000      2.230000  
1 1 1 1  30 24  o 3.6870  1.1070 -1.081000      2.215000  
1 1 1 1  30 25  o 5.8990  1.1800 -1.795000      2.360000  
1 1 1 1  30 26  f 6.8230  1.1310 -0.9059000     2.262000  
1 1 1 1  30 27  o 5.5600  1.2140 1.017000       2.427000  
1 1 1 1  30 28  o 6.0370  1.1660 -1.126000      2.331000  
1 1 1 1  30 29  o 5.5540  1.1650 -2.383000      2.330000  
1 1 1 1  30 30  o 4.3050  1.1850 1.104000       2.371000  
1 1 1 1  30 31  o 8.3010  0.9756 0.5527000      1.951000  
1 1 1 1  30 32  o 4.9390  1.2040 1.292000       2.408000  
1 1 1 1  30 33  f 10.480  0.7711 -1.222000      1.542000  
1 1 1 1  30 34  o 5.7720  1.2460 -0.1401000     2.492000  
1 1 1 1  30 35  o 4.9310  1.2420 1.054000       2.484000  
1 1 1 1  30 36  o 3.9870  1.1520 0.8613000      2.304000  
1 1 1 1  30 37  o 5.3870  1.2190 -1.158000      2.437000  
1 1 1 1  30 38  o 3.0990  1.0110 -0.5506000     2.023000  
1 1 1 1  30 39  o 6.1980  1.2060 -0.5573000     2.411000  
1 1 1 1  30 40  o 8.1440  1.0370 -0.4396000     2.074000  
1 1 1 1  30 41  o 4.1730  1.1940 -0.7576000     2.389000  
1 1 1 1  30 42  o 3.4540  1.1330 -0.1449000     2.265000  
1 1 1 1  30 43  o 4.1800  1.3460 0.1124000      2.692000  
1 1 1 1  30 44  o 3.4450  1.2370 -0.1808000     2.474000  
1 1 1 1  31 0   o 11.490  0.9345 0.000000       0.000000  
1 1 1 1  31 1   o 9.5030  0.8017 -2.183000      1.603000  
1 1 1 1  31 2   o 4.5490  1.2030 -0.2581000     2.406000  
1 1 1 1  31 3   o 5.2270  1.2410 0.9993000      2.482000  
1 1 1 1  31 4   o 8.0640  1.0080 -2.700000      2.016000  
1 1 1 1  31 5   o 9.1320  0.8364 -0.8911000     1.673000  
1 1 1 1  31 6   o 6.9590  1.0670 0.7118000      2.133000  
1 1 1 1  31 7   o 8.3560  0.9050 0.4511000      1.810000  
1 1 1 1  31 8   o 9.2210  0.8486 -1.645000      1.697000  
1 1 1 1  31 9   o 6.7920  1.1150 -2.281000      2.230000  
1 1 1 1  31 10  o 6.7790  1.0760 -3.814000      2.153000  
1 1 1 1  31 11  o 8.9240  0.8723 0.9034000      1.745000  
1 1 1 1  31 12  o 4.7020  1.2010 0.3327000      2.402000  
1 1 1 1  31 13  o 4.8600  1.2080 -0.3898000     2.415000  
1 1 1 1  31 14  o 6.9010  1.1070 2.245000       2.214000  
1 1 1 1  31 15  o 12.220  0.6844 -1.683000      1.369000  
1 1 1 1  31 16  o 8.7300  0.8860 0.8581000      1.772000  
1 1 1 1  31 17  o 5.5610  1.1920 -0.9206000     2.384000  
1 1 1 1  31 18  o 6.0510  1.1800 1.840000       2.360000  
1 1 1 1  31 19  f 6.8910  1.1130 -0.7902000     2.226000  
1 1 1 1  31 20  o 5.2080  1.2480 -0.5826000E-01 2.495000  
1 1 1 1  31 21  o 5.5430  1.2130 1.565000       2.427000  
1 1 1 1  31 22  o 8.4160  1.0150 -1.354000      2.029000  
1 1 1 1  31 23  o 7.2940  1.1240 -0.1664000     2.247000  
1 1 1 1  31 24  o 4.3450  1.1370 -2.157000      2.273000  
1 1 1 1  31 25  o 4.6290  1.2210 0.6449000      2.441000  
1 1 1 1  31 26  o 4.3600  1.2050 -0.9543000     2.410000  
1 1 1 1  31 27  o 11.810  0.7345 0.3652000      1.469000  
1 1 1 1  31 28  o 6.0590  1.2360 0.9967000      2.473000  
1 1 1 1  31 29  o 3.9430  1.1650 0.9358000E-01  2.329000  
1 1 1 1  31 30  o 5.1920  1.2370 -0.5989000     2.474000  
1 1 1 1  31 31  o 3.5120  1.1010 -0.4014000     2.202000  
1 1 1 1  31 32  f 4.6480  1.2430 0.4830000      2.486000  
1 1 1 1  31 33  o 3.3300  1.0620 1.220000       2.124000  
1 1 1 1  31 34  o 4.1240  1.1790 0.5460000      2.357000  
1 1 1 1  31 35  o 3.7860  1.2610 -0.5393000     2.522000  
1 1 1 1  31 36  o 3.8920  1.2890 -0.3519000     2.578000  
1 1 1 1  32 0   o 8.3470  1.4030 -0.000000      0.000000  
1 1 1 1  32 1   o 8.3010  0.9584 -1.414000      1.917000  
1 1 1 1  32 2   o 6.2730  1.1790 0.1336000      2.358000  
1 1 1 1  32 3   o 6.2420  1.1410 2.090000       2.282000  
1 1 1 1  32 4   o 3.5670  1.0850 -0.9617000     2.170000  
1 1 1 1  32 5   o 4.5110  1.1820 -1.239000      2.363000  
1 1 1 1  32 6   o 4.8850  1.1860 -1.634000      2.372000  
1 1 1 1  32 7   o 3.3960  1.0360 -1.761000      2.072000  
1 1 1 1  32 8   o 4.7350  1.1250 -2.547000      2.249000  
1 1 1 1  32 9   o 11.170  0.7107 -0.4002000E-01 1.421000  
1 1 1 1  32 10  o 7.0130  1.1080 0.7307000      2.216000  
1 1 1 1  32 11  o 3.2300  1.0300 1.555000       2.061000  
1 1 1 1  32 12  o 4.8640  1.2180 -1.002000      2.436000  
1 1 1 1  32 13  f 4.1090  1.1660 -1.285000      2.332000  
1 1 1 1  32 14  o 4.0430  1.1630 1.192000       2.325000  
1 1 1 1  32 15  o 6.3460  1.1790 -0.6464000     2.359000  
1 1 1 1  32 16  o 3.3880  1.0700 -0.8375000E-01 2.140000  
1 1 1 1  32 17  o 4.2380  1.1840 -0.2655000     2.369000  
1 1 1 1  32 18  o 4.3090  1.0970 3.098000       2.194000  
1 1 1 1  32 19  o 11.750  0.7171 -1.104000      1.434000  
1 1 1 1  32 20  o 8.1190  1.0420 -2.215000      2.084000  
1 1 1 1  32 21  f 6.4410  1.1500 -3.005000      2.301000  
1 1 1 1  32 22  o 6.2870  1.2170 -0.3738000     2.434000  
1 1 1 1  32 23  o 3.4930  1.1020 0.4590000      2.204000  
1 1 1 1  32 24  o 4.0710  1.1780 -0.6980000E-02 2.356000  
1 1 1 1  32 25  o 5.2270  1.5120 0.4779000      3.024000  
1 1 1 1  32 26  o 3.6150  1.2720 -0.8500000     2.543000  
1 1 1 1  33 0   f 13.890  1.3040 0.000000       0.000000  
1 1 1 1  33 1   o 7.1830  1.4000 -3.344000      2.800000  
1 1 1 1  33 2   o 4.4270  1.3160 0.9400000      2.633000  
1 1 1 1  33 3   o 3.8780  1.2310 -0.2522000     2.461000  
1 1 1 1  33 4   o 4.7880  2.1200 ?              ?         
1 1 1 1  33 5   o 9.0310  2.3700 ?              ?         
1 1 1 2  0  1   o 0.4240  0.2959 -0.000000      0.000000  
1 1 1 2  0  2   o 0.3341  0.2369 -0.000000      0.000000  
1 1 1 2  0  3   o 1.0150  0.4422 0.000000       0.000000  
1 1 1 2  0  4   o 0.5219  0.3621 -0.000000      0.000000  
1 1 1 2  0  5   o 0.6364  0.4280 -0.000000      0.000000  
1 1 1 2  0  7   o 0.8451  0.5822 0.000000       0.000000  
1 1 1 2  0  8   o 1.0490  0.7038 -0.000000      0.000000  
1 1 1 2  1  0   o 0.7907  0.4616 -0.000000      0.000000  
1 1 1 2  1  1   o 0.9347  0.2519 -0.2477000     0.5037000 
1 1 1 2  1  2   o 0.8627  0.2347 -0.4319000     0.4694000 
1 1 1 2  1  3   f 0.6159  0.2035 0.9513000E-01  0.4070000 
1 1 1 2  1  4   o 1.2970  0.5151 ?              ?         
1 1 1 2  1  5   o 1.1520  0.5228 ?              ?         
1 1 1 2  1  6   o 15.850  0.6676 -28.92000      1.335000  
1 1 1 2  1  7   o 32.510  1.2900 -60.56000      2.580000  
1 1 1 2  1  8   o 14.210  0.6610 -24.84000      1.322000  
1 1 1 2  1  9   o 50.070  1.3980 -13.43000      2.796000  
1 1 1 2  1  10  f 86.100  2.4070 17.82000       4.814000  
1 1 1 2  1  11  o 30.310  0.8514 3.823000       1.703000  
1 1 1 2  1  12  o 57.890  1.6030 3.025000       3.206000  
1 1 1 2  1  13  o 27.010  0.7650 -0.8642000E-01 1.530000  
1 1 1 2  1  14  o 16.750  0.5222 0.3601000E-02  1.044000  
1 1 1 2  1  15  o 15.570  0.5066 0.1068000      1.013000  
1 1 1 2  1  16  o 46.440  1.2900 -1.281000      2.580000  
1 1 1 2  1  17  o 43.970  1.7310 ?              ?         
1 1 1 2  1  18  o 30.410  1.2240 ?              ?         
1 1 1 2  1  19  o 58.600  2.2990 ?              ?         
1 1 1 2  1  20  o 65.270  2.5590 ?              ?         
1 1 1 2  1  21  o 82.400  3.2300 ?              ?         
1 1 1 2  1  22  f 27.320  1.1340 ?              ?         
1 1 1 2  1  23  o 133.800 5.3050 ?              ?         
1 1 1 2  1  24  o 40.160  1.6030 ?              ?         
1 1 1 2  1  97  o 4.9800  2.4760 ?              ?         
1 1 1 2  1  98  o 6.0700  2.8670 ?              ?         
1 1 1 2  1  99  o 5.2730  2.5850 ?              ?         
1 1 1 2  1  100 o 4.3010  2.1690 ?              ?         
1 1 1 2  1  101 o 3.9920  1.9780 ?              ?         
1 1 1 2  2  0   o 0.6120  0.4282 -0.000000      0.000000  
1 1 1 2  2  1   o 1.7780  0.3470 -0.7100000     0.6939000 
1 1 1 2  2  2   o 1.0540  0.4507 ?              ?         
1 1 1 2  2  3   o 59.230  1.6440 -116.3000      3.288000  
1 1 1 2  2  4   o 117.600 3.2630 ?              ?         
1 1 1 2  2  5   o 28.930  0.8094 ?              ?         
1 1 1 2  2  6   o 100.200 1.7810 -3.640000      3.562000  
1 1 1 2  2  7   o 29.010  0.8079 ?              ?         
1 1 1 2  2  8   o 32.590  0.9055 ?              ?         
1 1 1 2  2  9   o 84.240  1.6510 4.739000       3.302000  
1 1 1 2  2  10  o 76.510  1.4910 1.442000       2.982000  
1 1 1 2  2  11  o 73.980  1.4430 0.3577000      2.885000  
1 1 1 2  2  12  o 69.340  1.3520 -0.5716000     2.704000  
1 1 1 2  2  13  o 65.110  1.2700 -1.324000      2.540000  
1 1 1 2  2  14  o 31.510  0.7679 -0.9391000E-01 1.536000  
1 1 1 2  2  15  o 36.920  0.8920 -0.4917000     1.784000  
1 1 1 2  2  16  o 42.060  1.0140 -0.1290000     2.028000  
1 1 1 2  2  17  o 28.890  0.7159 -0.6392000E-01 1.432000  
1 1 1 2  2  18  o 68.710  1.6440 -0.6401000     3.289000  
1 1 1 2  2  19  o 46.970  1.1320 -0.5130000E-01 2.265000  
1 1 1 2  2  20  o 60.090  1.4400 -0.4992000     2.881000  
1 1 1 2  2  21  o 134.300 3.7560 -0.6782000     7.512000  
1 1 1 2  2  22  o 93.370  2.5910 0.3043000      5.182000  
1 1 1 2  2  23  o 81.450  2.2660 0.3126000      4.532000  
1 1 1 2  2  24  o 121.600 3.4110 -1.137000      6.822000  
1 1 1 2  2  25  o 66.140  2.6000 ?              ?         
1 1 1 2  2  26  o 64.840  2.5530 ?              ?         
1 1 1 2  2  27  f 48.640  1.9330 ?              ?         
1 1 1 2  2  28  o 90.030  3.5510 ?              ?         
1 1 1 2  2  29  o 102.800 4.0970 ?              ?         
1 1 1 2  2  30  o 35.700  1.4620 ?              ?         
1 1 1 2  2  31  o 35.200  1.4490 ?              ?         
1 1 1 2  2  32  o 24.340  1.1290 ?              ?         
1 1 1 2  2  33  o 67.630  2.6980 ?              ?         
1 1 1 2  2  34  o 47.140  1.9060 ?              ?         
1 1 1 2  2  35  o 39.570  1.6300 ?              ?         
1 1 1 2  2  36  o 31.260  1.3490 ?              ?         
1 1 1 2  2  37  o 35.030  1.4810 ?              ?         
1 1 1 2  2  38  o 14.130  1.2130 ?              ?         
1 1 1 2  2  39  o 27.590  1.2690 ?              ?         
1 1 1 2  2  40  o 18.700  1.1550 ?              ?         
1 1 1 2  2  41  o 27.100  1.2780 ?              ?         
1 1 1 2  2  42  o 22.880  1.2260 ?              ?         
1 1 1 2  2  43  o 12.560  1.4540 ?              ?         
1 1 1 2  2  44  o 7.4710  2.1990 ?              ?         
1 1 1 2  2  45  o 19.490  1.2320 ?              ?         
1 1 1 2  2  46  o 13.930  1.4300 ?              ?         
1 1 1 2  2  47  o 36.120  1.6010 ?              ?         
1 1 1 2  2  48  o 14.020  1.6620 ?              ?         
1 1 1 2  2  49  o 30.960  1.4810 ?              ?         
1 1 1 2  2  50  o 37.000  1.6500 ?              ?         
1 1 1 2  2  51  o 41.580  1.7850 ?              ?         
1 1 1 2  2  52  o 12.880  1.8790 ?              ?         
1 1 1 2  2  53  o 38.530  1.7050 ?              ?         
1 1 1 2  2  54  o 48.360  2.0370 ?              ?         
1 1 1 2  2  55  o 9.1400  2.6450 ?              ?         
1 1 1 2  2  56  o 13.040  2.1100 ?              ?         
1 1 1 2  2  57  o 13.270  2.1850 ?              ?         
1 1 1 2  2  58  o 21.670  1.6560 ?              ?         
1 1 1 2  2  59  o 26.100  1.6230 ?              ?         
1 1 1 2  2  60  o 34.220  1.7100 ?              ?         
1 1 1 2  2  61  o 7.4960  2.9050 ?              ?         
1 1 1 2  2  62  o 13.760  2.6050 ?              ?         
1 1 1 2  2  63  o 59.880  2.5280 ?              ?         
1 1 1 2  2  64  o 23.920  1.8040 ?              ?         
1 1 1 2  2  65  o 11.640  2.9650 ?              ?         
1 1 1 2  2  66  o 10.700  3.0770 ?              ?         
1 1 1 2  2  67  o 13.710  2.7430 ?              ?         
1 1 1 2  2  68  o 8.7790  3.1940 ?              ?         
1 1 1 2  2  69  o 21.410  2.0940 ?              ?         
1 1 1 2  2  70  o 34.550  1.9150 ?              ?         
1 1 1 2  2  71  o 19.230  2.3500 ?              ?         
1 1 1 2  2  72  o 19.120  2.2420 ?              ?         
1 1 1 2  2  73  o 19.170  2.3750 ?              ?         
1 1 1 2  2  74  o 9.7280  3.4740 ?              ?         
1 1 1 2  2  75  o 14.810  3.0870 ?              ?         
1 1 1 2  2  76  o 6.5900  3.0080 ?              ?         
1 1 1 2  2  77  o 10.830  3.8370 ?              ?         
1 1 1 2  2  78  o 6.8900  3.1850 ?              ?         
1 1 1 2  2  79  o 10.620  3.8490 ?              ?         
1 1 1 2  2  80  f 9.4410  3.7520 ?              ?         
1 1 1 2  2  81  o 6.9760  3.2180 ?              ?         
1 1 1 2  2  82  o 13.000  3.8880 ?              ?         
1 1 1 2  2  83  o 8.2540  3.4820 ?              ?         
1 1 1 2  2  84  o 6.9130  3.2190 ?              ?         
1 1 1 2  2  85  o 9.4420  3.8320 ?              ?         
1 1 1 2  2  86  o 10.600  4.0630 ?              ?         
1 1 1 2  2  87  o 6.3410  3.0580 ?              ?         
1 1 1 2  2  88  o 6.7580  3.2000 ?              ?         
1 1 1 2  2  89  o 6.2260  3.0180 ?              ?         
1 1 1 2  2  90  o 8.2970  3.6930 ?              ?         
1 1 1 2  2  91  o 5.3910  2.6980 ?              ?         
1 1 1 2  2  92  o 6.5310  3.1060 ?              ?         
1 1 1 2  2  93  o 6.5890  3.0810 ?              ?         
1 1 1 2  2  94  o 5.7060  2.8050 ?              ?         
1 1 1 2  2  95  o 7.3390  3.3550 ?              ?         
1 1 1 2  2  96  o 6.4010  3.0350 ?              ?         
1 1 1 2  2  97  o 5.6060  2.7510 ?              ?         
1 1 1 2  2  98  o 5.0570  2.4930 ?              ?         
1 1 1 2  2  99  o 5.2540  2.5610 ?              ?         
1 1 1 2  2  100 o 3.9930  2.0260 ?              ?         
1 1 1 2  2  101 o 3.5950  1.2740 -0.2683000     2.548000  
1 1 1 2  3  0   o 31.940  0.6231 -0.000000      0.000000  
1 1 1 2  3  1   o 113.400 2.0240 0.4812000      4.048000  
1 1 1 2  3  2   o 43.280  0.5951 -0.2647000     1.190000  
1 1 1 2  3  3   o 58.110  0.7984 0.8125000      1.597000  
1 1 1 2  3  4   o 98.070  1.3480 1.716000       2.695000  
1 1 1 2  3  5   o 81.890  1.1240 0.7515000      2.249000  
1 1 1 2  3  6   o 48.520  0.7207 -0.3794000     1.441000  
1 1 1 2  3  7   o 76.820  1.2220 -0.2842000     2.444000  
1 1 1 2  3  8   o 63.430  1.1270 0.1990000      2.253000  
1 1 1 2  3  9   o 54.440  1.0610 0.6163000      2.122000  
1 1 1 2  3  10  o 44.960  0.8786 0.3610000      1.757000  
1 1 1 2  3  11  o 70.980  1.3840 -0.3551000     2.768000  
1 1 1 2  3  12  o 40.030  0.7866 -0.4091000     1.573000  
1 1 1 2  3  13  o 35.460  0.7010 -0.3916000     1.402000  
1 1 1 2  3  14  o 48.020  0.9405 0.2272000      1.881000  
1 1 1 2  3  15  o 91.850  1.7910 0.5054000      3.582000  
1 1 1 2  3  16  o 61.330  1.1980 0.2776000E-01  2.396000  
1 1 1 2  3  17  o 39.440  0.7822 1.097000       1.564000  
1 1 1 2  3  18  o 72.640  1.4170 -0.6849000     2.834000  
1 1 1 2  3  19  o 16.940  0.4236 0.2038000      0.8472000 
1 1 1 2  3  20  o 124.600 2.4330 0.4228000E-01  4.865000  
1 1 1 2  3  21  o 83.230  1.6240 0.8824000      3.247000  
1 1 1 2  3  22  o 45.410  0.8997 -0.6329000     1.799000  
1 1 1 2  3  23  o 139.800 3.4010 0.7719000E-01  6.802000  
1 1 1 2  3  24  o 81.550  1.9600 0.2477000      3.920000  
1 1 1 2  3  25  o 76.460  1.8380 -0.2030000     3.675000  
1 1 1 2  3  26  o 76.550  1.8460 0.9061000      3.692000  
1 1 1 2  3  27  o 24.780  0.6696 -0.4877000     1.339000  
1 1 1 2  3  28  o 91.820  2.2120 -1.137000      4.424000  
1 1 1 2  3  29  o 28.950  0.7580 -0.5971000     1.516000  
1 1 1 2  3  30  o 74.320  1.7940 -0.9799000     3.587000  
1 1 1 2  3  31  o 39.360  0.9844 0.4826000      1.969000  
1 1 1 2  3  32  o 24.370  0.6952 0.4093000      1.390000  
1 1 1 2  3  33  o 22.550  0.7969 -0.2591000     1.594000  
1 1 1 2  3  34  o 35.110  1.0460 0.4260000      2.092000  
1 1 1 2  3  35  f 34.350  1.0360 -0.1225000     2.072000  
1 1 1 2  3  36  o 18.930  0.8004 0.3928000      1.601000  
1 1 1 2  3  37  o 22.230  0.8315 1.252000       1.663000  
1 1 1 2  3  38  o 28.270  0.9202 0.3650000      1.840000  
1 1 1 2  3  39  o 5.6320  1.4430 -0.1265000     2.886000  
1 1 1 2  3  40  o 19.010  0.8890 2.152000       1.778000  
1 1 1 2  3  41  o 44.320  1.3030 -0.8975000     2.606000  
1 1 1 2  3  42  o 18.870  0.8966 -0.4503000     1.793000  
1 1 1 2  3  43  o 21.090  0.8939 1.708000       1.788000  
1 1 1 2  3  44  o 16.950  0.9868 0.2258000E-01  1.974000  
1 1 1 2  3  45  o 11.330  1.3540 1.212000       2.707000  
1 1 1 2  3  46  o 42.170  1.2700 0.2079000      2.541000  
1 1 1 2  3  47  o 37.230  1.1730 0.7305000      2.347000  
1 1 1 2  3  48  o 12.480  1.2770 -1.478000      2.554000  
1 1 1 2  3  49  o 27.020  1.4390 ?              ?         
1 1 1 2  3  50  o 13.330  1.9160 ?              ?         
1 1 1 2  3  51  o 24.890  1.4200 ?              ?         
1 1 1 2  3  52  o 9.1570  2.4720 ?              ?         
1 1 1 2  3  53  o 62.550  2.5630 ?              ?         
1 1 1 2  3  54  o 18.330  1.6780 ?              ?         
1 1 1 2  3  55  o 11.390  2.4640 ?              ?         
1 1 1 2  3  56  f 28.240  1.5280 ?              ?         
1 1 1 2  3  57  o 7.0220  2.6790 ?              ?         
1 1 1 2  3  58  o 11.660  2.4450 ?              ?         
1 1 1 2  3  59  o 40.950  1.8760 ?              ?         
1 1 1 2  3  60  o 16.860  2.1220 ?              ?         
1 1 1 2  3  61  o 23.100  1.8470 ?              ?         
1 1 1 2  3  62  o 47.540  2.1080 ?              ?         
1 1 1 2  3  63  o 33.090  1.7970 ?              ?         
1 1 1 2  3  64  o 26.860  1.8020 ?              ?         
1 1 1 2  3  65  o 16.140  2.3370 ?              ?         
1 1 1 2  3  66  f 41.650  1.9590 ?              ?         
1 1 1 2  3  67  o 9.2800  3.1910 ?              ?         
1 1 1 2  3  68  o 12.510  3.0100 ?              ?         
1 1 1 2  3  69  o 13.620  2.8970 ?              ?         
1 1 1 2  3  70  o 7.1040  3.0330 ?              ?         
1 1 1 2  3  71  o 19.920  2.2590 ?              ?         
1 1 1 2  3  72  o 20.230  2.2870 ?              ?         
1 1 1 2  3  73  o 15.150  2.1830 -5.679000      4.365000  
1 1 1 2  3  74  o 12.610  2.3880 -5.623000      4.775000  
1 1 1 2  3  75  o 10.700  2.5480 1.398000       5.096000  
1 1 1 2  3  76  o 13.840  2.3610 -7.594000      4.722000  
1 1 1 2  3  77  o 22.110  1.9090 -1.026000      3.818000  
1 1 1 2  3  78  o 10.730  2.7420 -0.4634000     5.485000  
1 1 1 2  3  79  o 7.8450  2.4360 -1.744000      4.872000  
1 1 1 2  3  80  o 7.9160  2.4530 0.5078000      4.907000  
1 1 1 2  3  81  o 9.9870  2.7310 -1.779000      5.462000  
1 1 1 2  3  82  f 7.5650  2.4250 -0.1068000E-01 4.851000  
1 1 1 2  3  83  o 9.4190  2.6290 -4.101000      5.258000  
1 1 1 2  3  84  o 7.3910  2.4230 -0.4424000     4.845000  
1 1 1 2  3  85  o 6.8450  2.2800 -2.499000      4.560000  
1 1 1 2  3  86  o 9.1030  2.7200 -0.1955000     5.440000  
1 1 1 2  3  87  o 7.1020  2.3380 -1.143000      4.675000  
1 1 1 2  3  88  o 7.1870  2.3540 0.6788000      4.707000  
1 1 1 2  3  89  o 8.4990  2.6050 -0.4833000     5.211000  
1 1 1 2  3  90  o 8.4920  2.5870 -1.233000      5.174000  
1 1 1 2  3  91  o 8.2290  2.5280 -0.7591000     5.056000  
1 1 1 2  3  92  o 6.1440  2.0870 -0.7816000     4.174000  
1 1 1 2  3  93  o 6.8300  2.2400 0.5623000      4.481000  
1 1 1 2  3  94  o 6.0920  2.0800 -0.9900000     4.160000  
1 1 1 2  3  95  o 5.2000  1.8300 -0.9218000     3.660000  
1 1 1 2  3  96  o 5.8810  2.0210 0.6619000      4.042000  
1 1 1 2  3  97  o 6.4280  2.1490 -0.7428000     4.298000  
1 1 1 2  3  98  o 4.9920  1.7480 -0.5368000     3.495000  
1 1 1 2  3  99  o 4.7110  1.6680 0.9378000      3.336000  
1 1 1 2  3  100 o 4.1020  1.4600 1.451000       2.920000  
1 1 1 2  3  101 f 4.1290  1.4200 0.4083000      2.841000  
1 1 1 2  4  0   o 106.200 2.0610 0.000000       0.000000  
1 1 1 2  4  1   o 60.030  0.8237 0.5645000      1.647000  
1 1 1 2  4  2   o 120.200 1.7880 1.595000       3.575000  
1 1 1 2  4  3   o 56.690  0.7780 0.1268000      1.556000  
1 1 1 2  4  4   o 38.190  0.5268 -0.1837000     1.054000  
1 1 1 2  4  5   o 53.620  0.7368 0.2808000      1.474000  
1 1 1 2  4  6   o 27.440  0.3832 -0.2001000     0.7663000 
1 1 1 2  4  7   o 60.240  0.8273 0.4947000      1.655000  
1 1 1 2  4  8   o 65.480  0.9718 -0.2404000     1.944000  
1 1 1 2  4  9   o 21.540  0.3356 -0.4446000E-01 0.6712000 
1 1 1 2  4  10  o 62.560  1.1110 -0.5724000     2.222000  
1 1 1 2  4  11  o 79.360  1.4100 -0.1711000     2.819000  
1 1 1 2  4  12  o 97.190  1.8960 0.6603000      3.791000  
1 1 1 2  4  13  o 40.940  0.8054 -0.3103000     1.611000  
1 1 1 2  4  14  o 39.470  0.7791 0.8144000E-01  1.558000  
1 1 1 2  4  15  o 61.690  1.2040 -0.2126000     2.409000  
1 1 1 2  4  16  o 91.010  1.7750 -0.6959000     3.550000  
1 1 1 2  4  17  f 59.910  1.1710 -0.7260000     2.342000  
1 1 1 2  4  18  o 28.700  0.5897 0.7738000E-02  1.179000  
1 1 1 2  4  19  o 82.650  1.6110 -0.9557000     3.222000  
1 1 1 2  4  20  o 24.310  0.5239 -0.4216000     1.048000  
1 1 1 2  4  21  o 41.080  0.8177 -0.2240000     1.635000  
1 1 1 2  4  22  o 60.200  1.1810 1.667000       2.362000  
1 1 1 2  4  23  o 52.200  1.0290 -0.3705000     2.058000  
1 1 1 2  4  24  o 44.900  0.8929 -0.6195000     1.786000  
1 1 1 2  4  25  o 69.620  1.3640 -0.1576000     2.727000  
1 1 1 2  4  26  o 40.840  0.8196 -0.1816000     1.639000  
1 1 1 2  4  27  o 24.700  0.5520 -0.6418000     1.104000  
1 1 1 2  4  28  o 18.970  0.4947 0.3904000      0.9894000 
1 1 1 2  4  29  o 22.880  0.5384 0.5023000      1.077000  
1 1 1 2  4  30  o 41.750  0.8435 -0.5307000     1.687000  
1 1 1 2  4  31  o 39.220  0.9786 -0.4911000     1.957000  
1 1 1 2  4  32  o 48.080  1.1870 0.6626000      2.374000  
1 1 1 2  4  33  o 42.100  1.0480 0.2151000      2.096000  
1 1 1 2  4  34  o 17.410  0.6553 0.1745000      1.311000  
1 1 1 2  4  35  o 22.910  0.6928 0.3242000      1.386000  
1 1 1 2  4  36  f 24.890  0.7258 0.7444000      1.452000  
1 1 1 2  4  37  f 21.560  0.7052 -0.3368000     1.410000  
1 1 1 2  4  38  o 4.7100  1.2850 -0.4134000     2.569000  
1 1 1 2  4  39  o 40.170  1.0230 -0.4013000     2.047000  
1 1 1 2  4  40  o 41.110  1.2260 -0.5892000     2.452000  
1 1 1 2  4  41  o 5.0080  1.4300 0.5175000      2.861000  
1 1 1 2  4  42  o 24.910  0.9091 0.2001000      1.818000  
1 1 1 2  4  43  o 21.400  0.9235 -1.519000      1.847000  
1 1 1 2  4  44  o 40.380  1.2250 -1.846000      2.450000  
1 1 1 2  4  45  o 38.030  1.1750 -1.529000      2.349000  
1 1 1 2  4  46  o 10.950  1.5120 0.8762000      3.024000  
1 1 1 2  4  47  o 34.030  1.1110 -0.4513000     2.222000  
1 1 1 2  4  48  o 34.390  1.1300 0.2684000      2.259000  
1 1 1 2  4  49  o 21.620  1.0860 0.8156000      2.172000  
1 1 1 2  4  50  o 47.480  1.4260 1.597000       2.851000  
1 1 1 2  4  51  o 29.960  1.1070 -1.375000      2.215000  
1 1 1 2  4  52  o 14.740  1.3960 -1.702000      2.792000  
1 1 1 2  4  53  o 37.100  1.2180 2.108000       2.435000  
1 1 1 2  4  54  o 33.840  1.1850 1.598000       2.370000  
1 1 1 2  4  55  o 24.800  1.1730 1.013000       2.346000  
1 1 1 2  4  56  o 12.280  1.8780 5.214000       3.755000  
1 1 1 2  4  57  o 25.690  1.2590 3.539000       2.518000  
1 1 1 2  4  58  o 10.450  2.0580 0.4146000E-01  4.116000  
1 1 1 2  4  59  o 11.800  2.0180 -0.7928000E-01 4.036000  
1 1 1 2  4  60  o 29.200  1.2060 -0.9418000     2.412000  
1 1 1 2  4  61  o 6.6600  1.9760 -1.912000      3.953000  
1 1 1 2  4  62  o 42.140  1.3750 0.2468000E-02  2.751000  
1 1 1 2  4  63  o 33.760  1.2540 1.195000       2.507000  
1 1 1 2  4  64  f 6.6230  1.9710 -2.477000      3.942000  
1 1 1 2  4  65  o 8.1410  2.2350 -1.686000      4.470000  
1 1 1 2  4  66  o 30.280  1.3300 -0.8874000     2.661000  
1 1 1 2  4  67  o 33.370  1.3540 -2.163000      2.709000  
1 1 1 2  4  68  o 9.4490  2.3680 1.439000       4.736000  
1 1 1 2  4  69  o 18.980  1.7270 -3.785000      3.455000  
1 1 1 2  4  70  o 11.170  2.4270 -3.001000      4.854000  
1 1 1 2  4  71  o 9.2780  2.4310 0.3639000      4.861000  
1 1 1 2  4  72  o 17.620  2.0390 3.270000       4.078000  
1 1 1 2  4  73  o 10.940  2.5490 0.8025000      5.097000  
1 1 1 2  4  74  o 5.9110  1.9840 0.7219000E-01  3.967000  
1 1 1 2  4  75  o 7.5760  2.3680 -0.7904000     4.737000  
1 1 1 2  4  76  o 12.870  2.6530 -0.7126000     5.306000  
1 1 1 2  4  77  o 9.1390  2.4810 4.843000       4.961000  
1 1 1 2  4  78  o 13.880  2.6510 -2.743000      5.302000  
1 1 1 2  4  79  o 13.720  2.5200 -8.097000      5.040000  
1 1 1 2  4  80  o 8.6420  2.5240 -3.452000      5.049000  
1 1 1 2  4  81  o 10.370  2.6700 -5.439000      5.340000  
1 1 1 2  4  82  o 7.5930  2.4240 -1.807000      4.847000  
1 1 1 2  4  83  o 10.090  2.7960 -2.288000      5.592000  
1 1 1 2  4  84  o 7.8780  2.5170 0.7909000      5.034000  
1 1 1 2  4  85  o 8.8950  2.7250 0.3068000      5.450000  
1 1 1 2  4  86  o 6.7660  2.2840 0.5991000      4.568000  
1 1 1 2  4  87  o 7.8820  2.5200 0.8235000E-01  5.040000  
1 1 1 2  4  88  o 7.1000  2.3540 2.410000       4.707000  
1 1 1 2  4  89  o 7.5770  2.4650 -0.1098000     4.929000  
1 1 1 2  4  90  o 7.1120  2.3100 2.828000       4.620000  
1 1 1 2  4  91  f 6.6950  2.2270 0.7383000      4.453000  
1 1 1 2  4  92  o 7.4800  2.3600 0.8581000      4.721000  
1 1 1 2  4  93  o 5.7160  1.9640 -0.6732000     3.928000  
1 1 1 2  4  94  o 6.6790  2.1940 0.1209000      4.389000  
1 1 1 2  4  95  o 5.2180  1.8300 0.2832000      3.660000  
1 1 1 2  4  96  o 5.4370  1.8970 -1.186000      3.794000  
1 1 1 2  4  97  f 5.0060  1.7670 -0.8439000     3.534000  
1 1 1 2  4  98  o 5.5610  1.9160 0.1630000      3.832000  
1 1 1 2  4  99  o 4.4640  1.5940 0.4266000      3.188000  
1 1 1 2  4  100 o 3.7840  1.3470 0.1259000      2.694000  
1 1 1 2  4  101 o 3.6410  1.8070 ?              ?         
1 1 1 2  5  0   o 33.580  0.6578 0.000000       0.000000  
1 1 1 2  5  1   o 46.190  0.6357 -0.5615000E-02 1.271000  
1 1 1 2  5  2   f 53.090  0.7298 -0.2865000     1.460000  
1 1 1 2  5  3   o 34.810  0.4821 -0.5313000     0.9643000 
1 1 1 2  5  4   f 41.110  0.5670 -0.1042000E-01 1.134000  
1 1 1 2  5  5   o 63.010  0.8652 -0.2826000     1.730000  
1 1 1 2  5  6   o 77.720  1.0670 0.2264000      2.133000  
1 1 1 2  5  7   o 18.160  0.2708 0.1134000      0.5415000 
1 1 1 2  5  8   o 37.860  0.5247 0.4774000      1.049000  
1 1 1 2  5  9   o 46.310  0.6394 0.1724000      1.279000  
1 1 1 2  5  10  o 59.950  0.8915 -0.3927000     1.783000  
1 1 1 2  5  11  o 151.300 2.2580 -0.3900000E-01 4.515000  
1 1 1 2  5  12  o 104.700 1.6620 1.077000       3.325000  
1 1 1 2  5  13  o 36.780  0.6649 0.4775000      1.330000  
1 1 1 2  5  14  o 92.030  1.6340 -1.448000      3.268000  
1 1 1 2  5  15  o 120.600 2.3520 -0.6598000     4.705000  
1 1 1 2  5  16  o 157.800 3.0880 -0.3903000     6.177000  
1 1 1 2  5  17  o 110.500 2.1560 -0.7297000     4.312000  
1 1 1 2  5  18  o 54.940  1.0790 1.344000       2.158000  
1 1 1 2  5  19  o 97.640  1.9080 -0.1140000     3.816000  
1 1 1 2  5  20  o 54.190  1.0650 0.2608000      2.130000  
1 1 1 2  5  21  o 42.490  0.8457 0.4559000      1.691000  
1 1 1 2  5  22  o 62.960  1.2340 0.9846000E-02  2.468000  
1 1 1 2  5  23  o 47.080  0.9333 -0.3471000     1.867000  
1 1 1 2  5  24  o 54.180  1.0670 -0.5776000     2.134000  
1 1 1 2  5  25  o 8.8710  0.6129 -1.266000      1.226000  
1 1 1 2  5  26  o 65.500  1.2880 0.5648000      2.575000  
1 1 1 2  5  27  o 51.680  1.0240 -0.6036000     2.049000  
1 1 1 2  5  28  o 44.640  0.8952 -0.5374000     1.790000  
1 1 1 2  5  29  o 23.880  0.5539 0.5475000      1.108000  
1 1 1 2  5  30  o 23.220  0.5560 0.5711000E-02  1.112000  
1 1 1 2  5  31  o 13.840  0.5534 -0.7576000     1.107000  
1 1 1 2  5  32  o 19.950  0.5446 -0.2665000     1.089000  
1 1 1 2  5  33  o 15.320  0.5678 0.7317000      1.136000  
1 1 1 2  5  34  o 15.060  0.5635 -0.7249000     1.127000  
1 1 1 2  5  35  o 35.690  0.7513 0.5070000E-01  1.503000  
1 1 1 2  5  36  o 47.900  0.9693 -0.6460000     1.939000  
1 1 1 2  5  37  o 37.280  0.7838 0.4653000      1.568000  
1 1 1 2  5  38  o 16.760  0.7228 0.1078000      1.446000  
1 1 1 2  5  39  o 18.380  0.7294 -1.353000      1.459000  
1 1 1 2  5  40  o 11.840  0.9215 0.1330000E-01  1.843000  
1 1 1 2  5  41  o 8.4850  1.1720 0.2012000      2.344000  
1 1 1 2  5  42  o 13.390  0.9210 -0.5469000     1.842000  
1 1 1 2  5  43  o 22.620  0.7909 -0.4997000     1.582000  
1 1 1 2  5  44  o 39.860  1.0500 0.5123000      2.100000  
1 1 1 2  5  45  o 21.680  0.8312 -0.5319000     1.662000  
1 1 1 2  5  46  o 44.290  1.3350 0.1229000      2.671000  
1 1 1 2  5  47  o 8.9340  1.7540 1.719000       3.507000  
1 1 1 2  5  48  o 10.430  1.6640 0.5796000      3.328000  
1 1 1 2  5  49  o 14.740  1.4640 4.711000       2.927000  
1 1 1 2  5  50  o 20.330  1.1360 -2.228000      2.271000  
1 1 1 2  5  51  o 25.450  1.1020 0.7137000      2.204000  
1 1 1 2  5  52  o 9.3660  1.8060 -5.390000      3.612000  
1 1 1 2  5  53  o 7.7270  1.9400 -0.3643000     3.879000  
1 1 1 2  5  54  f 32.280  1.1590 1.104000       2.317000  
1 1 1 2  5  55  o 33.710  1.2100 0.8788000      2.419000  
1 1 1 2  5  56  o 20.140  1.3380 -0.7526000     2.676000  
1 1 1 2  5  57  o 13.700  1.8270 -0.2701000     3.654000  
1 1 1 2  5  58  f 34.330  1.2380 1.240000       2.477000  
1 1 1 2  5  59  o 46.170  1.4430 1.502000       2.887000  
1 1 1 2  5  60  o 18.720  1.4780 2.528000       2.957000  
1 1 1 2  5  61  o 39.880  1.3360 -0.8330000     2.672000  
1 1 1 2  5  62  o 12.500  2.0640 -1.548000      4.128000  
1 1 1 2  5  63  o 28.220  1.2760 -0.4331000     2.552000  
1 1 1 2  5  64  o 23.240  1.3260 -0.4536000     2.652000  
1 1 1 2  5  65  o 17.600  1.6060 -0.4921000     3.212000  
1 1 1 2  5  66  o 13.490  2.0320 -0.3267000     4.064000  
1 1 1 2  5  67  o 18.360  1.6130 -2.894000      3.227000  
1 1 1 2  5  68  o 11.710  2.3280 4.445000       4.656000  
1 1 1 2  5  69  o 8.2790  2.2770 2.999000       4.555000  
1 1 1 2  5  70  o 6.9800  2.1720 -2.058000      4.343000  
1 1 1 2  5  71  o 10.980  2.4680 -0.9235000     4.937000  
1 1 1 2  5  72  o 7.7040  2.3340 -2.076000      4.668000  
1 1 1 2  5  73  o 10.390  2.5530 -4.152000      5.105000  
1 1 1 2  5  74  f 13.280  2.5790 1.359000       5.157000  
1 1 1 2  5  75  o 7.5720  2.3780 0.5257000      4.757000  
1 1 1 2  5  76  o 8.5660  2.5530 -2.128000      5.107000  
1 1 1 2  5  77  o 9.2240  2.6390 0.5622000      5.278000  
1 1 1 2  5  78  o 6.5910  2.1910 -0.2166000     4.382000  
1 1 1 2  5  79  o 12.550  2.6860 5.040000       5.372000  
1 1 1 2  5  80  f 9.9280  2.7450 -0.6706000     5.490000  
1 1 1 2  5  81  o 6.3310  2.1580 -0.9783000     4.316000  
1 1 1 2  5  82  o 8.4110  2.5900 0.1737000      5.180000  
1 1 1 2  5  83  o 9.9880  2.8370 -0.5780000     5.674000  
1 1 1 2  5  84  o 8.7100  2.6180 2.103000       5.237000  
1 1 1 2  5  85  o 8.5540  2.6480 -2.447000      5.296000  
1 1 1 2  5  86  o 8.1110  2.5850 1.563000       5.170000  
1 1 1 2  5  87  f 6.8150  2.2980 -0.4630000     4.595000  
1 1 1 2  5  88  f 10.130  2.8720 -1.675000      5.745000  
1 1 1 2  5  89  o 5.9290  2.0630 0.6665000      4.125000  
1 1 1 2  5  90  o 6.5850  2.2400 -0.4255000     4.479000  
1 1 1 2  5  91  o 6.7360  2.2600 -0.9646000     4.519000  
1 1 1 2  5  92  o 5.2910  1.8530 0.6730000      3.706000  
1 1 1 2  5  93  o 5.3350  1.8690 1.296000       3.737000  
1 1 1 2  5  94  o 6.5580  2.1890 0.6900000      4.378000  
1 1 1 2  5  95  o 4.7300  1.6860 0.4143000E-01  3.372000  
1 1 1 2  5  96  o 5.1970  1.8290 0.9141000      3.658000  
1 1 1 2  5  97  o 5.0570  1.7720 -0.2490000     3.544000  
1 1 1 2  5  98  o 5.0790  1.7640 -1.118000      3.528000  
1 1 1 2  5  99  o 4.7130  1.6600 0.5828000      3.320000  
1 1 1 2  5  100 o 3.8150  1.3460 -0.5478000     2.692000  
1 1 1 2  5  101 o 4.1200  1.9910 ?              ?         
1 1 1 2  6  0   o 172.200 4.7710 -0.000000      0.000000  
1 1 1 2  6  1   o 73.340  1.0070 0.6710000      2.014000  
1 1 1 2  6  2   o 56.470  0.7761 0.4707000      1.552000  
1 1 1 2  6  3   o 28.780  0.4037 0.4953000      0.8074000 
1 1 1 2  6  4   o 44.510  0.6146 -0.5254000     1.229000  
1 1 1 2  6  5   o 99.200  1.3620 0.2905000      2.724000  
1 1 1 2  6  6   o 20.330  0.3246 -0.9467000     0.6492000 
1 1 1 2  6  7   o 49.150  0.6777 -0.3937000     1.355000  
1 1 1 2  6  8   o 71.550  0.9832 0.7360000      1.966000  
1 1 1 2  6  9   o 53.950  0.7446 -0.9892000     1.489000  
1 1 1 2  6  10  o 134.300 1.8460 -0.1063000     3.691000  
1 1 1 2  6  11  o 120.000 1.6480 0.1340000      3.295000  
1 1 1 2  6  12  o 60.450  0.9003 -0.8553000     1.801000  
1 1 1 2  6  13  o 51.500  0.7686 -0.3839000     1.537000  
1 1 1 2  6  14  o 49.920  0.8031 -0.5180000     1.606000  
1 1 1 2  6  15  o 55.480  0.9909 0.2972000      1.982000  
1 1 1 2  6  16  o 17.060  0.3822 0.2969000      0.7645000 
1 1 1 2  6  17  o 25.530  0.5418 -0.1118000     1.084000  
1 1 1 2  6  18  o 79.040  1.5430 0.1289000E-02  3.086000  
1 1 1 2  6  19  o 80.330  1.5690 -0.8533000E-01 3.138000  
1 1 1 2  6  20  o 67.330  1.3170 -0.5562000     2.635000  
1 1 1 2  6  21  o 9.7550  0.5332 -0.8153000     1.066000  
1 1 1 2  6  22  o 44.600  0.8862 -0.6083000     1.772000  
1 1 1 2  6  23  o 80.000  1.5690 -0.1038000E-02 3.137000  
1 1 1 2  6  24  o 27.710  0.5963 -0.6669000E-01 1.193000  
1 1 1 2  6  25  o 21.010  0.5084 0.6860000      1.017000  
1 1 1 2  6  26  o 50.230  0.9972 0.4895000      1.994000  
1 1 1 2  6  27  o 19.480  0.5002 0.3077000      1.000000  
1 1 1 2  6  28  o 46.650  0.9339 0.6393000      1.868000  
1 1 1 2  6  29  o 29.520  0.6424 -0.5833000     1.285000  
1 1 1 2  6  30  o 18.370  0.5286 0.1620000      1.057000  
1 1 1 2  6  31  o 71.810  1.4230 -0.1094000     2.845000  
1 1 1 2  6  32  o 38.190  0.7898 -0.1866000     1.580000  
1 1 1 2  6  33  o 23.690  0.5885 -0.8773000E-01 1.177000  
1 1 1 2  6  34  o 49.140  0.9898 0.8430000      1.980000  
1 1 1 2  6  35  o 39.140  0.8145 0.2637000      1.629000  
1 1 1 2  6  36  o 19.120  0.5855 0.1273000E-01  1.171000  
1 1 1 2  6  37  o 34.860  0.7468 -0.9472000     1.494000  
1 1 1 2  6  38  o 14.600  0.6598 0.2160000      1.320000  
1 1 1 2  6  39  o 16.240  0.6364 0.4166000      1.273000  
1 1 1 2  6  40  o 51.970  1.0550 0.4184000      2.109000  
1 1 1 2  6  41  o 36.130  0.7889 1.814000       1.578000  
1 1 1 2  6  42  o 22.150  0.6528 0.5901000      1.306000  
1 1 1 2  6  43  o 7.7050  1.2590 -5.125000      2.517000  
1 1 1 2  6  44  o 22.330  0.8270 1.278000       1.654000  
1 1 1 2  6  45  o 44.970  1.1510 -0.6980000     2.302000  
1 1 1 2  6  46  o 20.520  0.9031 -0.3776000     1.806000  
1 1 1 2  6  47  o 47.330  1.2130 0.4601000      2.425000  
1 1 1 2  6  48  o 15.540  1.0570 -0.1750000     2.113000  
1 1 1 2  6  49  o 36.320  1.0150 -0.6028000E-01 2.030000  
1 1 1 2  6  50  o 11.400  1.4100 -0.7638000     2.820000  
1 1 1 2  6  51  o 11.950  1.3490 1.402000       2.697000  
1 1 1 2  6  52  o 27.400  1.1450 -0.1729000     2.290000  
1 1 1 2  6  53  o 29.450  1.1680 1.410000       2.336000  
1 1 1 2  6  54  f 7.5410  2.0220 -2.654000      4.043000  
1 1 1 2  6  55  o 23.290  1.2830 0.4010000      2.566000  
1 1 1 2  6  56  o 20.670  1.4450 3.761000       2.890000  
1 1 1 2  6  57  o 56.390  1.6880 1.447000       3.376000  
1 1 1 2  6  58  f 8.8080  2.1890 0.5771000      4.379000  
1 1 1 2  6  59  o 37.820  1.3160 3.825000       2.632000  
1 1 1 2  6  60  o 27.550  1.2160 0.7638000      2.432000  
1 1 1 2  6  61  o 19.950  1.3790 1.687000       2.758000  
1 1 1 2  6  62  o 21.350  1.3880 -0.7043000     2.775000  
1 1 1 2  6  63  f 10.780  2.1020 3.331000       4.204000  
1 1 1 2  6  64  o 13.750  2.0450 3.139000       4.091000  
1 1 1 2  6  65  o 42.290  1.4160 -2.215000      2.832000  
1 1 1 2  6  66  o 7.1330  2.0900 -1.926000      4.181000  
1 1 1 2  6  67  f 19.810  1.5880 -2.005000      3.176000  
1 1 1 2  6  68  o 20.470  1.6630 -0.9237000     3.326000  
1 1 1 2  6  69  o 11.510  2.4340 -0.7560000     4.867000  
1 1 1 2  6  70  o 14.170  2.2980 2.709000       4.596000  
1 1 1 2  6  71  o 13.110  2.3800 -4.201000      4.760000  
1 1 1 2  6  72  o 17.300  2.0810 -1.013000      4.161000  
1 1 1 2  6  73  o 8.7270  2.4400 2.443000       4.880000  
1 1 1 2  6  74  o 8.3090  2.4090 -2.019000      4.818000  
1 1 1 2  6  75  o 8.7660  2.4570 -3.299000      4.913000  
1 1 1 2  6  76  o 9.3590  2.4470 3.759000       4.894000  
1 1 1 2  6  77  o 13.330  2.5830 -4.144000      5.167000  
1 1 1 2  6  78  o 15.010  2.5640 2.323000       5.129000  
1 1 1 2  6  79  o 8.9130  2.5710 -4.677000      5.141000  
1 1 1 2  6  80  o 6.6920  2.2410 -0.5836000     4.483000  
1 1 1 2  6  81  f 10.100  2.7920 -2.070000      5.583000  
1 1 1 2  6  82  o 8.5210  2.5800 1.985000       5.160000  
1 1 1 2  6  83  o 7.7450  2.4710 -2.826000      4.943000  
1 1 1 2  6  84  o 7.9290  2.5220 -1.014000      5.044000  
1 1 1 2  6  85  o 9.1350  2.6780 3.058000       5.356000  
1 1 1 2  6  86  o 6.7620  2.2780 -0.6622000     4.556000  
1 1 1 2  6  87  o 8.6870  2.6590 -1.243000      5.319000  
1 1 1 2  6  88  o 6.6950  2.2610 -2.556000      4.522000  
1 1 1 2  6  89  o 5.5300  1.9500 -0.4235000E-01 3.899000  
1 1 1 2  6  90  o 6.3060  2.1640 -0.4722000     4.329000  
1 1 1 2  6  91  f 5.8480  2.0210 0.8422000      4.042000  
1 1 1 2  6  92  o 6.1270  2.0830 -1.309000      4.165000  
1 1 1 2  6  93  o 5.2230  1.8400 0.7593000      3.680000  
1 1 1 2  6  94  o 5.3220  1.8820 0.7489000      3.763000  
1 1 1 2  6  95  o 6.4150  2.1900 1.228000       4.381000  
1 1 1 2  6  96  o 5.7640  2.0040 -0.6256000     4.009000  
1 1 1 2  6  97  o 5.5740  1.9290 -0.7051000     3.857000  
1 1 1 2  6  98  o 4.3420  1.5540 -0.5542000     3.107000  
1 1 1 2  6  99  o 4.1870  1.4730 0.3566000      2.946000  
1 1 1 2  6  100 o 4.2370  1.4440 -0.4810000     2.887000  
1 1 1 2  7  0   o 93.430  1.8120 0.000000       0.000000  
1 1 1 2  7  1   o 33.330  0.4646 -0.4315000     0.9293000 
1 1 1 2  7  2   o 25.740  0.3671 0.1036000      0.7342000 
1 1 1 2  7  3   o 92.980  1.2760 -1.131000      2.551000  
1 1 1 2  7  4   o 143.800 1.9750 1.444000       3.951000  
1 1 1 2  7  5   f 93.210  1.2800 -1.009000      2.560000  
1 1 1 2  7  6   o 41.530  0.5759 -0.1688000     1.152000  
1 1 1 2  7  7   o 79.600  1.0930 -0.6057000     2.186000  
1 1 1 2  7  8   o 73.740  1.0130 -0.3713000E-01 2.027000  
1 1 1 2  7  9   o 37.180  0.5213 -1.504000      1.043000  
1 1 1 2  7  10  o 55.540  0.7659 -0.6168000     1.532000  
1 1 1 2  7  11  o 27.290  0.4238 -0.8543000     0.8476000 
1 1 1 2  7  12  f 48.450  0.6703 -0.4982000E-01 1.341000  
1 1 1 2  7  13  o 31.850  0.4537 0.4976000      0.9073000 
1 1 1 2  7  14  o 111.600 1.6590 -0.3594000     3.318000  
1 1 1 2  7  15  o 54.600  0.8148 0.7610000      1.630000  
1 1 1 2  7  16  o 86.440  1.3750 -1.091000      2.749000  
1 1 1 2  7  17  o 43.430  0.7007 0.8062000      1.401000  
1 1 1 2  7  18  o 69.000  1.2310 -0.1679000     2.463000  
1 1 1 2  7  19  o 66.160  1.1810 0.2068000E-02  2.362000  
1 1 1 2  7  20  o 74.380  1.4580 0.3968000      2.916000  
1 1 1 2  7  21  o 45.380  0.9015 0.8463000      1.803000  
1 1 1 2  7  22  o 63.360  1.2450 0.5486000      2.490000  
1 1 1 2  7  23  o 50.660  1.2350 -0.5651000     2.470000  
1 1 1 2  7  24  o 66.510  1.3100 -1.238000      2.620000  
1 1 1 2  7  25  o 19.340  0.5038 -0.5484000     1.008000  
1 1 1 2  7  26  o 42.640  0.8585 0.1475000      1.717000  
1 1 1 2  7  27  o 65.220  1.2890 -0.2254000     2.578000  
1 1 1 2  7  28  o 27.260  0.6030 -1.186000      1.206000  
1 1 1 2  7  29  o 22.310  0.5470 -0.5147000     1.094000  
1 1 1 2  7  30  o 49.710  0.9957 -0.7373000     1.991000  
1 1 1 2  7  31  o 24.780  0.7169 -0.8139000     1.434000  
1 1 1 2  7  32  o 66.400  1.3200 0.1373000      2.639000  
1 1 1 2  7  33  o 9.5040  0.8001 0.2498000      1.600000  
1 1 1 2  7  34  o 26.690  0.6268 0.2045000      1.254000  
1 1 1 2  7  35  o 28.010  0.6487 -0.6491000     1.297000  
1 1 1 2  7  36  o 37.590  0.7901 0.5135000      1.580000  
1 1 1 2  7  37  o 17.760  0.6162 -1.754000      1.232000  
1 1 1 2  7  38  o 36.880  0.7893 0.7205000      1.579000  
1 1 1 2  7  39  o 55.080  1.1140 0.5374000      2.229000  
1 1 1 2  7  40  o 45.990  0.9485 -0.6244000     1.897000  
1 1 1 2  7  41  o 20.730  0.6806 -0.9315000     1.361000  
1 1 1 2  7  42  o 61.360  1.2420 -0.8932000     2.485000  
1 1 1 2  7  43  o 25.600  0.7045 1.251000       1.409000  
1 1 1 2  7  44  o 43.920  0.9271 -0.1108000     1.854000  
1 1 1 2  7  45  o 11.170  1.0630 -1.440000      2.125000  
1 1 1 2  7  46  o 16.690  0.8161 1.283000       1.632000  
1 1 1 2  7  47  o 12.080  1.1400 3.426000       2.281000  
1 1 1 2  7  48  o 9.4720  1.4150 1.871000       2.829000  
1 1 1 2  7  49  o 11.380  1.2280 -2.355000      2.456000  
1 1 1 2  7  50  o 66.520  1.6570 0.4005000      3.314000  
1 1 1 2  7  51  o 37.440  1.0640 0.6629000      2.127000  
1 1 1 2  7  52  o 44.860  1.1910 -0.7968000     2.383000  
1 1 1 2  7  53  o 19.650  1.0460 -0.8400000     2.091000  
1 1 1 2  7  54  o 16.840  1.2240 2.535000       2.448000  
1 1 1 2  7  55  o 38.180  1.0960 -1.472000      2.192000  
1 1 1 2  7  56  o 13.040  1.6070 -2.037000      3.214000  
1 1 1 2  7  57  o 11.290  1.7440 4.216000       3.488000  
1 1 1 2  7  58  o 13.540  1.9310 -3.190000      3.862000  
1 1 1 2  7  59  o 11.440  2.1010 -1.247000      4.202000  
1 1 1 2  7  60  o 29.710  1.2730 4.552000       2.546000  
1 1 1 2  7  61  o 39.240  1.3440 1.991000       2.687000  
1 1 1 2  7  62  o 24.640  1.3210 1.528000       2.642000  
1 1 1 2  7  63  o 8.0010  2.1790 -2.386000      4.357000  
1 1 1 2  7  64  o 25.120  1.3290 -1.963000      2.659000  
1 1 1 2  7  65  o 11.590  2.2730 0.4434000      4.545000  
1 1 1 2  7  66  o 14.820  2.0450 0.1599000      4.090000  
1 1 1 2  7  67  o 9.4180  2.3710 -0.6352000     4.742000  
1 1 1 2  7  68  f 10.890  2.5010 0.6104000E-01  5.001000  
1 1 1 2  7  69  o 14.630  2.2840 -1.223000      4.567000  
1 1 1 2  7  70  o 13.140  2.4570 -1.129000      4.915000  
1 1 1 2  7  71  f 21.370  1.7660 -1.107000      3.533000  
1 1 1 2  7  72  o 14.620  2.4020 -0.2505000     4.803000  
1 1 1 2  7  73  o 9.4380  2.5310 2.554000       5.062000  
1 1 1 2  7  74  o 12.410  2.6560 3.250000       5.311000  
1 1 1 2  7  75  o 11.730  2.7520 -1.118000      5.504000  
1 1 1 2  7  76  o 11.180  2.7450 -1.452000      5.490000  
1 1 1 2  7  77  o 6.8320  2.2360 1.791000       4.473000  
1 1 1 2  7  78  o 16.630  2.4910 7.079000       4.983000  
1 1 1 2  7  79  o 9.9900  2.6540 -3.873000      5.307000  
1 1 1 2  7  80  o 15.640  2.6150 -4.270000      5.230000  
1 1 1 2  7  81  o 8.4860  2.5630 3.312000       5.125000  
1 1 1 2  7  82  o 8.3190  2.6110 1.009000       5.222000  
1 1 1 2  7  83  o 7.6160  2.4760 -0.5161000     4.951000  
1 1 1 2  7  84  o 7.3360  2.3280 3.369000       4.657000  
1 1 1 2  7  85  o 6.6680  2.2490 -2.368000      4.497000  
1 1 1 2  7  86  o 7.6740  2.4710 0.2996000      4.943000  
1 1 1 2  7  87  o 6.0840  2.0930 0.4184000      4.185000  
1 1 1 2  7  88  o 9.0730  2.7420 2.974000       5.484000  
1 1 1 2  7  89  o 6.8090  2.3030 -0.6921000     4.607000  
1 1 1 2  7  90  o 8.2600  2.5640 2.123000       5.128000  
1 1 1 2  7  91  o 6.2820  2.1280 -0.3996000     4.256000  
1 1 1 2  7  92  o 7.1480  2.3410 1.669000       4.683000  
1 1 1 2  7  93  o 5.6280  1.9690 -0.9550000     3.938000  
1 1 1 2  7  94  o 5.7620  2.0210 -0.9221000E-02 4.042000  
1 1 1 2  7  95  o 5.2550  1.8670 0.3518000      3.735000  
1 1 1 2  7  96  o 4.8690  1.7270 -0.1605000     3.455000  
1 1 1 2  7  97  o 4.3710  1.5660 0.6130000      3.133000  
1 1 1 2  7  98  o 4.4500  1.5760 -0.2021000     3.152000  
1 1 1 2  7  99  o 4.4070  1.5110 1.120000       3.022000  
1 1 1 2  8  0   o 10.410  0.3387 0.000000       0.000000  
1 1 1 2  8  1   o 38.000  0.5278 0.2148000      1.056000  
1 1 1 2  8  2   o 20.630  0.3079 0.1668000      0.6158000 
1 1 1 2  8  3   o 51.270  0.7068 -0.1013000     1.414000  
1 1 1 2  8  4   o 55.450  0.7640 0.4903000      1.528000  
1 1 1 2  8  5   o 113.200 1.5560 0.1223000      3.112000  
1 1 1 2  8  6   o 23.210  0.4378 2.261000       0.8755000 
1 1 1 2  8  7   o 41.000  0.5715 1.241000       1.143000  
1 1 1 2  8  8   o 81.910  1.1260 0.2924000      2.252000  
1 1 1 2  8  9   o 70.900  0.9758 0.7621000      1.952000  
1 1 1 2  8  10  o 114.700 1.5780 0.6685000      3.156000  
1 1 1 2  8  11  o 69.650  0.9589 -0.1792000     1.918000  
1 1 1 2  8  12  o 102.200 1.4070 0.6982000      2.813000  
1 1 1 2  8  13  o 30.520  0.4369 0.6553000      0.8737000 
1 1 1 2  8  14  o 72.100  0.9933 -0.7023000     1.987000  
1 1 1 2  8  15  f 60.640  0.8371 -0.6148000     1.674000  
1 1 1 2  8  16  o 69.680  1.0390 -0.2314000     2.079000  
1 1 1 2  8  17  o 35.530  0.5445 -0.4258000     1.089000  
1 1 1 2  8  18  o 45.820  0.7381 0.4084000      1.476000  
1 1 1 2  8  19  o 36.730  0.6013 -0.8773000E-01 1.203000  
1 1 1 2  8  20  o 22.290  0.4608 1.792000       0.9217000 
1 1 1 2  8  21  f 41.380  0.7561 0.8321000      1.512000  
1 1 1 2  8  22  o 60.260  1.0810 -1.402000      2.162000  
1 1 1 2  8  23  o 39.610  0.7998 0.6673000      1.600000  
1 1 1 2  8  24  o 24.500  0.5557 -0.2576000     1.111000  
1 1 1 2  8  25  o 23.230  0.5419 0.3023000      1.084000  
1 1 1 2  8  26  o 33.870  0.7039 0.1018000      1.408000  
1 1 1 2  8  27  o 11.640  0.6938 -1.572000      1.388000  
1 1 1 2  8  28  o 12.410  0.5864 -0.7041000     1.173000  
1 1 1 2  8  29  o 26.050  0.5975 -0.5601000     1.195000  
1 1 1 2  8  30  o 31.960  0.6870 -0.8253000E-01 1.374000  
1 1 1 2  8  31  o 23.160  0.5732 0.8972000E-01  1.146000  
1 1 1 2  8  32  o 27.160  0.6222 -0.8186000     1.244000  
1 1 1 2  8  33  o 18.440  0.5856 -0.1905000E-01 1.171000  
1 1 1 2  8  34  f 16.830  0.5879 0.4546000E-01  1.176000  
1 1 1 2  8  35  o 5.8710  1.2140 -1.445000      2.428000  
1 1 1 2  8  36  o 27.620  0.6511 1.368000       1.302000  
1 1 1 2  8  37  o 27.630  0.6619 -0.4177000     1.324000  
1 1 1 2  8  38  o 31.510  0.7155 -0.3458000     1.431000  
1 1 1 2  8  39  o 37.640  0.8132 0.6987000      1.626000  
1 1 1 2  8  40  o 8.8620  1.1950 0.1331000      2.391000  
1 1 1 2  8  41  o 27.190  0.7020 0.5411000      1.404000  
1 1 1 2  8  42  o 28.000  0.7117 0.1818000      1.423000  
1 1 1 2  8  43  o 58.320  1.1810 0.5978000      2.361000  
1 1 1 2  8  44  o 42.420  0.9035 0.4609000E-01  1.807000  
1 1 1 2  8  45  o 58.440  1.1870 -1.154000      2.374000  
1 1 1 2  8  46  o 57.560  1.1760 0.6869000      2.353000  
1 1 1 2  8  47  f 44.900  0.9615 0.1742000      1.923000  
1 1 1 2  8  48  o 46.680  0.9937 1.133000       1.987000  
1 1 1 2  8  49  o 21.460  0.8352 1.712000       1.670000  
1 1 1 2  8  50  o 25.220  0.7989 0.3892000      1.598000  
1 1 1 2  8  51  o 41.890  0.9430 -1.552000      1.886000  
1 1 1 2  8  52  o 37.790  0.9040 2.166000       1.808000  
1 1 1 2  8  53  o 16.610  1.0270 0.4329000      2.053000  
1 1 1 2  8  54  o 21.240  0.8946 1.593000       1.789000  
1 1 1 2  8  55  o 6.3770  1.7570 -1.073000      3.515000  
1 1 1 2  8  56  o 7.7240  1.9250 1.390000       3.849000  
1 1 1 2  8  57  o 30.410  1.0770 3.513000       2.154000  
1 1 1 2  8  58  o 45.450  1.2250 -1.638000      2.449000  
1 1 1 2  8  59  o 19.580  1.2880 -3.193000      2.577000  
1 1 1 2  8  60  o 32.390  1.0770 0.2980000      2.154000  
1 1 1 2  8  61  o 15.800  1.5530 -0.6809000     3.106000  
1 1 1 2  8  62  o 30.820  1.0900 0.5097000      2.180000  
1 1 1 2  8  63  o 6.7560  2.0890 0.5182000      4.177000  
1 1 1 2  8  64  o 18.470  1.6680 0.6849000      3.336000  
1 1 1 2  8  65  o 13.340  2.2300 -1.324000      4.461000  
1 1 1 2  8  66  o 15.550  2.0030 -4.748000      4.005000  
1 1 1 2  8  67  o 17.080  1.9490 -2.283000      3.897000  
1 1 1 2  8  68  o 22.240  1.6820 -1.797000      3.365000  
1 1 1 2  8  69  f 10.320  2.5450 -0.7514000     5.089000  
1 1 1 2  8  70  o 18.100  1.9580 0.2359000      3.915000  
1 1 1 2  8  71  o 9.0580  2.5300 -1.794000      5.059000  
1 1 1 2  8  72  o 40.300  1.5540 -1.706000      3.109000  
1 1 1 2  8  73  o 9.6690  2.4940 -5.956000      4.989000  
1 1 1 2  8  74  o 7.0050  2.2830 -1.117000      4.566000  
1 1 1 2  8  75  o 8.0610  2.4320 -0.6544000     4.865000  
1 1 1 2  8  76  o 13.300  2.6490 1.042000       5.299000  
1 1 1 2  8  77  f 8.6320  2.5490 -2.201000      5.099000  
1 1 1 2  8  78  o 7.4170  2.3930 -0.2264000     4.787000  
1 1 1 2  8  79  o 7.4620  2.3840 0.4542000E-01  4.768000  
1 1 1 2  8  80  o 10.470  2.7750 -3.468000      5.550000  
1 1 1 2  8  81  o 8.6770  2.6060 -1.268000      5.212000  
1 1 1 2  8  82  o 8.7590  2.6230 0.9132000      5.245000  
1 1 1 2  8  83  o 7.4900  2.4040 2.508000       4.807000  
1 1 1 2  8  84  o 9.7140  2.6330 -4.620000      5.265000  
1 1 1 2  8  85  o 7.7330  2.4360 1.701000       4.872000  
1 1 1 2  8  86  o 6.1960  2.1270 0.8190000      4.255000  
1 1 1 2  8  87  o 7.9660  2.5690 -0.2022000     5.137000  
1 1 1 2  8  88  o 6.8500  2.3130 1.576000       4.626000  
1 1 1 2  8  89  o 7.4010  2.3760 -3.071000      4.751000  
1 1 1 2  8  90  o 5.8310  2.0210 0.9591000      4.043000  
1 1 1 2  8  91  o 8.1010  2.5290 2.577000       5.059000  
1 1 1 2  8  92  o 6.1760  2.1280 1.135000       4.257000  
1 1 1 2  8  93  f 4.9270  1.7630 -1.119000      3.527000  
1 1 1 2  8  94  o 5.3220  1.8920 0.7867000      3.784000  
1 1 1 2  8  95  o 5.9560  2.0370 -0.6762000     4.075000  
1 1 1 2  8  96  o 4.8310  1.7030 -0.8888000     3.406000  
1 1 1 2  8  97  o 4.5140  1.6030 0.7233000E-01  3.205000  
1 1 1 2  8  98  o 3.9970  1.4140 0.9840000      2.828000  
1 1 1 2  8  99  o 5.0590  1.6650 0.2933000      3.330000  
1 1 1 2  9  0   o 11.060  0.4240 0.000000       0.000000  
1 1 1 2  9  1   o 80.810  1.1100 -0.4015000     2.221000  
1 1 1 2  9  2   o 77.850  1.0700 0.3489000      2.140000  
1 1 1 2  9  3   o 53.000  0.7314 0.4673000      1.463000  
1 1 1 2  9  4   o 59.030  0.8131 -0.6630000E-01 1.626000  
1 1 1 2  9  5   o 18.570  0.3179 0.3239000      0.6359000 
1 1 1 2  9  6   o 63.900  0.8807 -0.4648000     1.761000  
1 1 1 2  9  7   o 64.140  0.8834 -0.6914000     1.767000  
1 1 1 2  9  8   o 47.150  0.6543 0.8555000      1.309000  
1 1 1 2  9  9   o 28.880  0.4513 -1.602000      0.9026000 
1 1 1 2  9  10  o 57.950  0.8003 0.1071000      1.601000  
1 1 1 2  9  11  o 19.320  0.3352 -0.2279000     0.6704000 
1 1 1 2  9  12  o 53.690  0.7431 0.2389000      1.486000  
1 1 1 2  9  13  o 14.440  0.3015 0.3685000      0.6031000 
1 1 1 2  9  14  o 67.710  0.9357 -0.8346000E-01 1.871000  
1 1 1 2  9  15  o 76.900  1.0610 0.7568000      2.123000  
1 1 1 2  9  16  f 22.090  0.3743 1.099000       0.7486000 
1 1 1 2  9  17  o 48.590  0.6770 -0.4033000     1.354000  
1 1 1 2  9  18  o 75.060  1.1220 1.690000       2.245000  
1 1 1 2  9  19  o 32.770  0.5107 0.3230000      1.021000  
1 1 1 2  9  20  o 70.980  1.1370 -0.2880000     2.274000  
1 1 1 2  9  21  o 23.890  0.4319 0.1103000      0.8638000 
1 1 1 2  9  22  o 33.520  0.6306 2.366000       1.261000  
1 1 1 2  9  23  f 40.170  0.6593 -0.2950000     1.319000  
1 1 1 2  9  24  o 28.810  0.5639 -1.115000      1.128000  
1 1 1 2  9  25  o 51.360  0.9302 -0.7841000     1.860000  
1 1 1 2  9  26  o 33.380  0.6330 -0.1241000     1.266000  
1 1 1 2  9  27  o 32.640  0.6902 -0.2745000     1.380000  
1 1 1 2  9  28  o 26.580  0.6004 0.8397000E-01  1.201000  
1 1 1 2  9  29  o 15.970  0.5622 0.3180000      1.124000  
1 1 1 2  9  30  o 16.280  0.5591 -0.6356000     1.118000  
1 1 1 2  9  31  o 34.940  0.7361 -0.3273000E-02 1.472000  
1 1 1 2  9  32  o 21.620  0.5783 -0.3550000     1.157000  
1 1 1 2  9  33  o 15.970  0.5976 0.3816000      1.195000  
1 1 1 2  9  34  o 14.970  0.6254 0.6615000E-01  1.251000  
1 1 1 2  9  35  o 16.120  0.6223 0.2977000      1.245000  
1 1 1 2  9  36  o 19.610  0.6387 -0.5681000     1.277000  
1 1 1 2  9  37  o 7.7980  1.2160 1.131000       2.431000  
1 1 1 2  9  38  o 34.410  0.7562 0.6277000      1.512000  
1 1 1 2  9  39  o 37.510  0.8079 -1.154000      1.616000  
1 1 1 2  9  40  f 13.280  0.8162 -0.3790000     1.632000  
1 1 1 2  9  41  o 36.000  0.7911 0.2210000      1.582000  
1 1 1 2  9  42  f 40.100  0.8609 0.7818000      1.722000  
1 1 1 2  9  43  o 33.320  0.7706 -0.4011000     1.541000  
1 1 1 2  9  44  o 53.960  1.1040 0.1490000      2.208000  
1 1 1 2  9  45  o 28.630  0.7560 1.206000       1.512000  
1 1 1 2  9  46  o 10.830  1.2650 -1.205000      2.530000  
1 1 1 2  9  47  o 53.210  1.1010 0.8531000      2.201000  
1 1 1 2  9  48  o 26.690  0.7763 -0.5843000     1.553000  
1 1 1 2  9  49  o 21.750  0.8405 0.7546000      1.681000  
1 1 1 2  9  50  o 26.250  0.8283 -0.4631000     1.657000  
1 1 1 2  9  51  f 25.710  0.8441 -0.8547000     1.688000  
1 1 1 2  9  52  o 19.350  0.9599 -0.1501000     1.920000  
1 1 1 2  9  53  o 30.260  0.8488 0.6255000      1.698000  
1 1 1 2  9  54  o 47.170  1.0300 1.009000       2.061000  
1 1 1 2  9  55  o 39.920  0.9430 -0.6146000     1.886000  
1 1 1 2  9  56  f 25.540  0.8934 -2.573000      1.787000  
1 1 1 2  9  57  o 19.010  1.0400 0.5622000      2.081000  
1 1 1 2  9  58  o 25.500  0.8830 0.6970000      1.766000  
1 1 1 2  9  59  f 14.090  1.4390 2.721000       2.877000  
1 1 1 2  9  60  o 7.8210  1.8730 -2.293000      3.745000  
1 1 1 2  9  61  f 14.250  1.7170 2.377000       3.433000  
1 1 1 2  9  62  o 22.380  1.1750 -0.5110000E-01 2.350000  
1 1 1 2  9  63  o 6.8500  1.9540 -1.968000      3.908000  
1 1 1 2  9  64  f 12.800  1.8680 -7.681000      3.736000  
1 1 1 2  9  65  o 9.2700  2.1430 -2.907000      4.287000  
1 1 1 2  9  66  o 7.2160  2.0740 2.991000       4.149000  
1 1 1 2  9  67  o 7.2010  2.1460 1.434000       4.292000  
1 1 1 2  9  68  o 20.050  1.7860 1.202000       3.573000  
1 1 1 2  9  69  o 7.6250  2.3390 0.9106000      4.678000  
1 1 1 2  9  70  o 22.560  1.8360 -0.8902000     3.671000  
1 1 1 2  9  71  o 13.970  2.5120 -3.109000      5.024000  
1 1 1 2  9  72  o 8.7820  2.5200 1.115000       5.040000  
1 1 1 2  9  73  o 8.1320  2.4310 3.469000       4.862000  
1 1 1 2  9  74  o 9.0520  2.6130 -0.6051000     5.227000  
1 1 1 2  9  75  o 14.270  2.6860 -2.159000      5.372000  
1 1 1 2  9  76  o 8.5890  2.5730 0.3837000      5.146000  
1 1 1 2  9  77  o 15.670  2.5160 3.573000       5.031000  
1 1 1 2  9  78  o 8.3700  2.5470 -0.1495000     5.094000  
1 1 1 2  9  79  o 8.1420  2.5560 -2.900000      5.111000  
1 1 1 2  9  80  o 8.1900  2.5150 2.145000       5.031000  
1 1 1 2  9  81  o 7.0340  2.3220 0.4644000      4.645000  
1 1 1 2  9  82  o 7.9480  2.4580 -2.460000      4.916000  
1 1 1 2  9  83  o 11.960  2.8350 -2.348000      5.669000  
1 1 1 2  9  84  o 6.8980  2.2800 -1.106000      4.560000  
1 1 1 2  9  85  o 7.1010  2.3460 0.2729000      4.693000  
1 1 1 2  9  86  o 8.0920  2.5660 -1.098000      5.132000  
1 1 1 2  9  87  o 7.9970  2.5370 2.238000       5.074000  
1 1 1 2  9  88  o 6.4470  2.1970 0.9415000      4.394000  
1 1 1 2  9  89  o 8.2350  2.5420 2.368000       5.085000  
1 1 1 2  9  90  o 5.7320  1.9850 0.1847000      3.969000  
1 1 1 2  9  91  o 6.1770  2.1200 0.3172000      4.240000  
1 1 1 2  9  92  o 7.3310  2.4340 -0.6043000     4.868000  
1 1 1 2  9  93  f 6.0630  2.1160 -0.9195000     4.233000  
1 1 1 2  9  94  o 5.0290  1.7900 -0.3455000     3.579000  
1 1 1 2  9  95  o 4.8930  1.7340 0.3041000      3.468000  
1 1 1 2  9  96  o 4.7030  1.6770 0.3630000      3.354000  
1 1 1 2  9  97  o 4.7600  1.6600 0.4830000      3.319000  
1 1 1 2  9  98  o 4.4650  1.5530 0.6545000      3.107000  
1 1 1 2  10 0   o 15.760  0.3914 -0.000000      0.000000  
1 1 1 2  10 1   f 56.870  0.7844 -0.1665000     1.569000  
1 1 1 2  10 2   o 12.130  0.2664 -0.5380000     0.5328000 
1 1 1 2  10 3   o 18.700  0.3225 0.9427000      0.6449000 
1 1 1 2  10 4   o 68.960  0.9504 -0.4917000     1.901000  
1 1 1 2  10 5   o 24.430  0.3902 0.1940000      0.7804000 
1 1 1 2  10 6   o 55.520  0.7672 1.200000       1.534000  
1 1 1 2  10 7   o 61.140  0.8441 0.3374000      1.688000  
1 1 1 2  10 8   o 15.160  0.3210 0.3870000E-01  0.6419000 
1 1 1 2  10 9   o 29.430  0.4252 0.1834000      0.8504000 
1 1 1 2  10 10  o 38.530  0.5404 0.2221000      1.081000  
1 1 1 2  10 11  o 28.370  0.4118 -0.1865000     0.8235000 
1 1 1 2  10 12  o 41.810  0.5849 0.1926000E-01  1.170000  
1 1 1 2  10 13  o 16.500  0.3199 -0.6536000     0.6398000 
1 1 1 2  10 14  o 25.330  0.3785 0.2612000      0.7570000 
1 1 1 2  10 15  o 43.170  0.6050 -0.1280000     1.210000  
1 1 1 2  10 16  f 54.280  0.7541 0.6251000      1.508000  
1 1 1 2  10 17  f 32.210  0.4645 0.4651000      0.9290000 
1 1 1 2  10 18  o 25.230  0.3844 0.4089000E-01  0.7687000 
1 1 1 2  10 19  o 65.160  0.9043 -1.545000      1.809000  
1 1 1 2  10 20  o 33.180  0.6190 4.373000       1.238000  
1 1 1 2  10 21  o 35.090  0.5820 -0.1483000     1.164000  
1 1 1 2  10 22  o 21.100  0.4061 -0.5121000E-01 0.8122000 
1 1 1 2  10 23  o 25.090  0.4503 -0.5447000E-01 0.9006000 
1 1 1 2  10 24  o 30.680  0.5269 1.139000       1.054000  
1 1 1 2  10 25  o 16.220  0.3915 -0.2332000     0.7829000 
1 1 1 2  10 26  o 25.760  0.4662 -0.1878000     0.9324000 
1 1 1 2  10 27  o 23.420  0.4507 -0.5582000     0.9013000 
1 1 1 2  10 28  f 23.600  0.5124 1.532000       1.025000  
1 1 1 2  10 29  o 22.940  0.5059 1.075000       1.012000  
1 1 1 2  10 30  o 5.6150  1.1680 2.759000       2.336000  
1 1 1 2  10 31  o 29.890  0.6588 0.2140000      1.318000  
1 1 1 2  10 32  o 8.6190  0.9992 -2.852000      1.998000  
1 1 1 2  10 33  o 78.890  1.5740 0.5108000      3.149000  
1 1 1 2  10 34  o 30.560  0.6935 1.224000       1.387000  
1 1 1 2  10 35  o 17.090  0.6440 1.347000       1.288000  
1 1 1 2  10 36  o 18.370  0.6396 -1.122000      1.279000  
1 1 1 2  10 37  o 19.030  0.6503 1.162000       1.301000  
1 1 1 2  10 38  o 31.170  0.7195 -0.6145000     1.439000  
1 1 1 2  10 39  f 15.000  0.7695 1.515000       1.539000  
1 1 1 2  10 40  o 40.630  0.8631 -0.3942000     1.726000  
1 1 1 2  10 41  o 33.720  0.7670 0.4612000      1.534000  
1 1 1 2  10 42  f 47.090  0.9782 -0.1684000     1.956000  
1 1 1 2  10 43  o 24.620  0.7187 1.415000       1.437000  
1 1 1 2  10 44  o 36.270  0.8232 -0.3083000     1.646000  
1 1 1 2  10 45  f 26.650  0.7300 -0.8587000     1.460000  
1 1 1 2  10 46  o 26.170  0.9458 -1.086000      1.892000  
1 1 1 2  10 47  o 25.390  0.7847 -1.382000      1.569000  
1 1 1 2  10 48  o 47.970  1.0200 0.3296000      2.039000  
1 1 1 2  10 49  o 24.070  0.8136 1.020000       1.627000  
1 1 1 2  10 50  o 7.9290  1.6530 1.989000       3.305000  
1 1 1 2  10 51  o 20.940  0.8904 1.165000       1.781000  
1 1 1 2  10 52  o 48.070  1.0400 0.9216000      2.079000  
1 1 1 2  10 53  o 28.500  0.8404 0.7011000      1.681000  
1 1 1 2  10 54  o 18.350  1.0070 0.1641000      2.015000  
1 1 1 2  10 55  o 15.200  1.1330 -0.4920000     2.265000  
1 1 1 2  10 56  o 48.360  1.0550 0.8215000      2.111000  
1 1 1 2  10 57  f 16.360  1.1730 -1.527000      2.345000  
1 1 1 2  10 58  o 40.750  0.9591 0.5279000      1.918000  
1 1 1 2  10 59  o 7.2270  1.9030 0.9597000      3.805000  
1 1 1 2  10 60  o 9.9980  1.8060 -1.012000      3.611000  
1 1 1 2  10 61  o 29.300  0.9448 0.4704000      1.890000  
1 1 1 2  10 62  o 20.360  1.0940 -0.2301000E-01 2.188000  
1 1 1 2  10 63  o 4.9390  1.6160 -1.947000      3.232000  
1 1 1 2  10 64  o 7.2900  1.9800 -2.650000      3.960000  
1 1 1 2  10 65  o 7.6610  2.0180 0.7001000      4.036000  
1 1 1 2  10 66  o 14.220  2.0050 -1.572000      4.009000  
1 1 1 2  10 67  o 11.500  2.1310 -0.4168000     4.261000  
1 1 1 2  10 68  f 6.6780  2.0940 1.236000       4.187000  
1 1 1 2  10 69  o 14.260  2.0010 -0.8648000     4.003000  
1 1 1 2  10 70  o 15.450  1.9780 0.1536000      3.956000  
1 1 1 2  10 71  o 22.330  1.6210 -0.3107000E-01 3.241000  
1 1 1 2  10 72  o 15.210  2.1390 -0.3285000     4.278000  
1 1 1 2  10 73  f 7.3000  2.3130 -1.895000      4.627000  
1 1 1 2  10 74  o 10.280  2.7020 1.049000       5.404000  
1 1 1 2  10 75  o 10.120  2.6760 0.2648000E-01  5.352000  
1 1 1 2  10 76  o 8.3610  2.5270 -0.7084000     5.054000  
1 1 1 2  10 77  o 8.5010  2.5670 -1.550000      5.134000  
1 1 1 2  10 78  o 9.1880  2.6240 1.698000       5.248000  
1 1 1 2  10 79  o 9.5380  2.7300 2.223000       5.461000  
1 1 1 2  10 80  o 8.7340  2.6100 -3.568000      5.220000  
1 1 1 2  10 81  o 11.310  2.7810 0.6974000      5.562000  
1 1 1 2  10 82  o 9.8170  2.6530 0.9642000      5.306000  
1 1 1 2  10 83  f 6.9340  2.2890 0.7025000      4.577000  
1 1 1 2  10 84  o 6.5890  2.2280 -1.953000      4.457000  
1 1 1 2  10 85  o 7.4160  2.4100 -0.2300000     4.821000  
1 1 1 2  10 86  o 8.3910  2.6050 -0.8829000     5.210000  
1 1 1 2  10 87  o 6.4190  2.1820 0.3138000      4.363000  
1 1 1 2  10 88  o 5.5600  1.9380 0.7512000      3.876000  
1 1 1 2  10 89  o 5.8100  2.0150 0.6905000      4.030000  
1 1 1 2  10 90  o 7.1390  2.3210 -0.2725000E-01 4.642000  
1 1 1 2  10 91  o 7.4970  2.4410 0.8921000      4.882000  
1 1 1 2  10 92  o 7.1430  2.3580 1.990000       4.716000  
1 1 1 2  10 93  o 5.3960  1.8990 -0.1677000     3.798000  
1 1 1 2  10 94  o 5.1050  1.7990 0.4128000      3.598000  
1 1 1 2  10 95  o 4.6220  1.6490 -0.1485000     3.298000  
1 1 1 2  10 96  o 4.2500  1.5060 -0.2048000     3.011000  
1 1 1 2  10 97  o 4.0030  1.4230 0.7132000      2.846000  
1 1 1 2  11 0   o 15.770  0.3971 -0.000000      0.000000  
1 1 1 2  11 1   o 33.250  0.4701 0.2876000      0.9402000 
1 1 1 2  11 2   o 7.0230  0.3592 0.1091000      0.7184000 
1 1 1 2  11 3   o 18.900  0.3035 0.3489000      0.6070000 
1 1 1 2  11 4   o 35.910  0.5057 0.2523000      1.011000  
1 1 1 2  11 5   o 11.260  0.3155 -1.350000      0.6311000 
1 1 1 2  11 6   o 41.580  0.5807 -0.1539000     1.161000  
1 1 1 2  11 7   o 15.290  0.3325 0.2436000      0.6650000 
1 1 1 2  11 8   o 50.570  0.7017 -0.3647000     1.403000  
1 1 1 2  11 9   o 30.170  0.4692 -0.4311000     0.9385000 
1 1 1 2  11 10  o 6.5020  0.4559 0.4210000      0.9118000 
1 1 1 2  11 11  o 30.480  0.4395 0.5972000      0.8789000 
1 1 1 2  11 12  o 26.360  0.3913 -0.1508000     0.7827000 
1 1 1 2  11 13  o 24.740  0.3737 0.1171000      0.7475000 
1 1 1 2  11 14  o 16.270  0.3059 -0.2222000     0.6117000 
1 1 1 2  11 15  f 27.670  0.4096 0.6058000      0.8192000 
1 1 1 2  11 16  o 25.990  0.3912 -0.9451000E-01 0.7823000 
1 1 1 2  11 17  o 21.730  0.3474 0.9746000E-01  0.6949000 
1 1 1 2  11 18  o 32.040  0.4644 0.4387000      0.9288000 
1 1 1 2  11 19  o 17.600  0.3188 0.5051000      0.6376000 
1 1 1 2  11 20  o 26.840  0.4051 -0.1644000     0.8103000 
1 1 1 2  11 21  o 30.540  0.4862 -0.2879000     0.9725000 
1 1 1 2  11 22  o 18.480  0.3635 -0.7847000E-01 0.7269000 
1 1 1 2  11 23  o 29.220  0.5064 0.2130000      1.013000  
1 1 1 2  11 24  o 9.2130  0.4904 0.5177000      0.9809000 
1 1 1 2  11 25  o 36.640  0.6138 0.2250000      1.228000  
1 1 1 2  11 26  o 26.850  0.4812 -0.3374000     0.9624000 
1 1 1 2  11 27  o 4.5730  0.7579 -3.790000      1.516000  
1 1 1 2  11 28  o 40.690  0.6754 0.7774000E-01  1.351000  
1 1 1 2  11 29  o 17.080  0.4277 -0.8125000     0.8554000 
1 1 1 2  11 30  o 44.630  0.7364 0.2170000      1.473000  
1 1 1 2  11 31  f 35.650  0.6856 0.2688000      1.371000  
1 1 1 2  11 32  o 19.500  0.5277 -0.3595000E-01 1.055000  
1 1 1 2  11 33  o 36.890  0.7858 0.2522000      1.572000  
1 1 1 2  11 34  o 24.640  0.6355 -0.5413000     1.271000  
1 1 1 2  11 35  o 53.670  1.0840 -0.2047000     2.168000  
1 1 1 2  11 36  o 23.530  0.6477 -0.8706000     1.295000  
1 1 1 2  11 37  o 19.630  0.6735 1.171000       1.347000  
1 1 1 2  11 38  o 32.830  0.7494 0.3760000      1.499000  
1 1 1 2  11 39  o 11.040  0.9840 -1.439000      1.968000  
1 1 1 2  11 40  o 21.420  0.7019 0.3625000      1.404000  
1 1 1 2  11 41  o 21.170  0.6951 0.1163000      1.390000  
1 1 1 2  11 42  o 23.780  0.7188 0.4012000      1.438000  
1 1 1 2  11 43  o 30.820  0.7586 -0.5769000     1.517000  
1 1 1 2  11 44  o 24.720  0.7235 -0.7425000     1.447000  
1 1 1 2  11 45  o 21.910  0.7743 0.1480000      1.549000  
1 1 1 2  11 46  o 5.0590  1.4630 1.723000       2.925000  
1 1 1 2  11 47  o 12.320  1.1960 0.7059000      2.392000  
1 1 1 2  11 48  o 30.660  0.8058 0.3629000      1.612000  
1 1 1 2  11 49  o 21.400  0.8334 -1.118000      1.667000  
1 1 1 2  11 50  o 4.3630  1.4290 0.8779000E-01  2.858000  
1 1 1 2  11 51  o 26.710  0.8218 1.989000       1.644000  
1 1 1 2  11 52  o 19.080  0.8972 0.2473000      1.794000  
1 1 1 2  11 53  o 14.510  1.1720 -0.7587000     2.345000  
1 1 1 2  11 54  o 11.640  1.4920 -1.908000      2.984000  
1 1 1 2  11 55  o 19.590  0.9577 0.2881000      1.915000  
1 1 1 2  11 56  o 26.510  0.8865 -0.1865000     1.773000  
1 1 1 2  11 57  o 18.080  1.0740 -1.969000      2.147000  
1 1 1 2  11 58  o 15.580  1.2120 -1.731000      2.424000  
1 1 1 2  11 59  o 8.2450  1.9190 -0.3603000     3.838000  
1 1 1 2  11 60  o 23.620  0.9806 1.577000       1.961000  
1 1 1 2  11 61  o 33.580  0.9339 0.6230000      1.868000  
1 1 1 2  11 62  o 6.6940  1.9210 1.161000       3.842000  
1 1 1 2  11 63  o 7.8560  2.0570 0.4043000      4.114000  
1 1 1 2  11 64  o 8.0270  2.0580 -1.463000      4.116000  
1 1 1 2  11 65  o 13.010  1.9150 -0.7171000E-01 3.830000  
1 1 1 2  11 66  o 6.3650  1.9450 -1.024000      3.889000  
1 1 1 2  11 67  o 16.560  1.5600 1.293000       3.120000  
1 1 1 2  11 68  o 10.190  2.1000 2.807000       4.201000  
1 1 1 2  11 69  o 5.8570  1.8840 -0.8527000     3.769000  
1 1 1 2  11 70  o 12.080  2.1730 0.2604000      4.347000  
1 1 1 2  11 71  o 19.450  1.7110 -0.6998000     3.423000  
1 1 1 2  11 72  o 7.1350  2.2130 -0.3663000     4.426000  
1 1 1 2  11 73  o 10.120  2.3790 -3.778000      4.759000  
1 1 1 2  11 74  f 8.1590  2.3850 1.112000       4.770000  
1 1 1 2  11 75  o 7.3310  2.2200 -0.8032000     4.439000  
1 1 1 2  11 76  o 9.6720  2.5060 -1.720000      5.012000  
1 1 1 2  11 77  o 6.5330  2.1560 2.763000       4.312000  
1 1 1 2  11 78  o 7.9710  2.4620 -1.767000      4.923000  
1 1 1 2  11 79  o 10.060  2.7440 1.756000       5.488000  
1 1 1 2  11 80  o 8.4870  2.5810 -2.536000      5.161000  
1 1 1 2  11 81  o 8.5600  2.5040 -0.6256000     5.009000  
1 1 1 2  11 82  o 7.0710  2.3060 0.8638000      4.612000  
1 1 1 2  11 83  o 7.2620  2.3690 -1.702000      4.737000  
1 1 1 2  11 84  o 6.3090  2.1240 1.928000       4.248000  
1 1 1 2  11 85  o 6.7940  2.2720 1.245000       4.545000  
1 1 1 2  11 86  o 6.5850  2.1860 -1.855000      4.372000  
1 1 1 2  11 87  o 5.8220  2.0120 0.9334000      4.025000  
1 1 1 2  11 88  o 5.7380  1.9660 0.2468000      3.931000  
1 1 1 2  11 89  o 5.9370  2.0350 -0.1294000     4.071000  
1 1 1 2  11 90  o 5.0920  1.8070 -0.8540000     3.614000  
1 1 1 2  11 91  o 4.8500  1.7330 -0.1461000     3.466000  
1 1 1 2  11 92  o 4.9260  1.7510 0.9693000E-01  3.503000  
1 1 1 2  11 93  f 5.0730  1.7750 -0.3769000     3.551000  
1 1 1 2  11 94  o 4.4860  1.6060 1.483000       3.212000  
1 1 1 2  11 95  o 4.0410  1.4520 1.204000       2.904000  
1 1 1 2  11 96  o 4.6610  1.6320 0.3772000      3.264000  
1 1 1 2  12 0   o 29.580  0.6048 -0.000000      0.000000  
1 1 1 2  12 1   o 38.330  0.5393 -0.6488000     1.079000  
1 1 1 2  12 2   o 60.490  0.8379 -0.2779000     1.676000  
1 1 1 2  12 3   o 50.550  0.7039 -0.3296000     1.408000  
1 1 1 2  12 4   o 23.860  0.3633 -0.6125000     0.7265000 
1 1 1 2  12 5   o 27.820  0.4075 -0.2388000     0.8150000 
1 1 1 2  12 6   o 39.890  0.5601 0.1762000      1.120000  
1 1 1 2  12 7   o 19.600  0.3480 -0.7807000     0.6960000 
1 1 1 2  12 8   o 36.040  0.5110 0.9074000      1.022000  
1 1 1 2  12 9   o 15.020  0.3209 -0.5678000     0.6418000 
1 1 1 2  12 10  o 20.920  0.3345 -0.1295000     0.6690000 
1 1 1 2  12 11  o 32.790  0.4708 0.1036000      0.9416000 
1 1 1 2  12 12  o 25.130  0.3819 0.2755000      0.7637000 
1 1 1 2  12 13  o 31.180  0.4519 -0.4768000     0.9037000 
1 1 1 2  12 14  o 13.900  0.3537 -1.843000      0.7075000 
1 1 1 2  12 15  o 28.750  0.4258 0.1597000      0.8516000 
1 1 1 2  12 16  o 28.720  0.4250 0.5921000E-01  0.8501000 
1 1 1 2  12 17  o 30.710  0.4501 0.6675000E-01  0.9003000 
1 1 1 2  12 18  o 33.390  0.4845 -0.1738000     0.9691000 
1 1 1 2  12 19  o 36.100  0.5196 -0.2946000     1.039000  
1 1 1 2  12 20  o 39.280  0.5600 0.4826000      1.120000  
1 1 1 2  12 21  o 45.910  0.6487 0.4935000      1.297000  
1 1 1 2  12 22  o 27.690  0.4203 0.9897000      0.8405000 
1 1 1 2  12 23  f 12.280  0.3826 0.1646000      0.7651000 
1 1 1 2  12 24  o 16.090  0.4056 -0.4438000     0.8112000 
1 1 1 2  12 25  o 30.940  0.5370 0.5455000      1.074000  
1 1 1 2  12 26  o 49.390  0.8053 0.4926000      1.611000  
1 1 1 2  12 27  o 46.930  0.7694 0.2281000      1.539000  
1 1 1 2  12 28  o 26.080  0.4861 0.8551000      0.9721000 
1 1 1 2  12 29  o 6.4160  0.8070 2.077000       1.614000  
1 1 1 2  12 30  o 18.310  0.4434 -0.3544000     0.8869000 
1 1 1 2  12 31  o 60.050  0.9762 -0.2266000     1.952000  
1 1 1 2  12 32  f 22.250  0.4857 0.7504000      0.9715000 
1 1 1 2  12 33  f 19.340  0.6403 -0.2595000     1.281000  
1 1 1 2  12 34  o 78.540  1.2640 -0.8241000     2.529000  
1 1 1 2  12 35  o 49.100  0.9119 0.5523000E-01  1.824000  
1 1 1 2  12 36  o 7.9990  1.0660 0.5969000      2.132000  
1 1 1 2  12 37  o 39.920  0.8540 0.5696000      1.708000  
1 1 1 2  12 38  o 41.690  0.8825 -0.2526000     1.765000  
1 1 1 2  12 39  o 25.690  0.7071 0.5924000      1.414000  
1 1 1 2  12 40  o 33.630  0.7737 -1.260000      1.547000  
1 1 1 2  12 41  o 12.990  0.9766 -0.8122000     1.953000  
1 1 1 2  12 42  o 26.920  0.7266 1.387000       1.453000  
1 1 1 2  12 43  o 9.9770  1.3000 -0.3452000     2.599000  
1 1 1 2  12 44  o 48.480  1.0160 0.1442000      2.032000  
1 1 1 2  12 45  o 11.550  1.2130 -2.817000      2.426000  
1 1 1 2  12 46  o 7.7000  1.6310 -0.6465000     3.261000  
1 1 1 2  12 47  o 33.730  0.9990 0.8316000      1.998000  
1 1 1 2  12 48  o 9.3490  1.5210 0.2852000      3.042000  
1 1 1 2  12 49  o 19.550  0.8652 1.256000       1.730000  
1 1 1 2  12 50  o 12.540  1.2410 0.8660000E-01  2.482000  
1 1 1 2  12 51  o 36.470  0.8756 1.429000       1.751000  
1 1 1 2  12 52  o 57.210  1.1850 -0.8243000     2.370000  
1 1 1 2  12 53  o 28.490  0.8511 0.4138000      1.702000  
1 1 1 2  12 54  o 15.010  1.2230 -3.606000      2.447000  
1 1 1 2  12 55  o 8.3040  1.8100 -0.8233000     3.619000  
1 1 1 2  12 56  o 11.410  1.5950 2.347000       3.190000  
1 1 1 2  12 57  o 15.000  1.2950 3.701000       2.590000  
1 1 1 2  12 58  o 8.8820  1.8310 2.882000       3.663000  
1 1 1 2  12 59  o 27.580  0.9376 1.403000       1.875000  
1 1 1 2  12 60  f 21.510  1.0810 -0.7321000     2.162000  
1 1 1 2  12 61  o 9.9110  1.9700 -2.722000      3.941000  
1 1 1 2  12 62  o 13.560  1.6970 3.687000       3.394000  
1 1 1 2  12 63  f 12.880  1.7800 2.584000       3.559000  
1 1 1 2  12 64  o 14.380  1.7440 0.4405000      3.489000  
1 1 1 2  12 65  o 8.6620  2.0820 -2.998000      4.163000  
1 1 1 2  12 66  o 19.140  1.4040 -1.451000      2.808000  
1 1 1 2  12 67  o 8.5780  2.1760 -0.9518000E-01 4.351000  
1 1 1 2  12 68  o 15.080  1.8580 -2.010000      3.716000  
1 1 1 2  12 69  o 7.6510  2.1610 -0.5996000     4.321000  
1 1 1 2  12 70  o 24.020  1.2710 1.592000       2.542000  
1 1 1 2  12 71  o 6.1850  1.9850 0.4548000      3.970000  
1 1 1 2  12 72  o 6.4330  2.0160 1.220000       4.032000  
1 1 1 2  12 73  o 8.0990  2.2680 -0.8366000     4.536000  
1 1 1 2  12 74  o 7.1740  2.1390 0.5602000      4.278000  
1 1 1 2  12 75  f 6.5520  2.1090 -1.474000      4.218000  
1 1 1 2  12 76  o 9.4100  2.5200 -2.278000      5.040000  
1 1 1 2  12 77  o 9.4930  2.5800 2.290000       5.159000  
1 1 1 2  12 78  f 12.580  2.5230 -1.432000      5.045000  
1 1 1 2  12 79  f 8.1760  2.4390 1.798000       4.879000  
1 1 1 2  12 80  o 5.5160  1.8940 0.6507000      3.788000  
1 1 1 2  12 81  o 5.2830  1.8320 1.909000       3.665000  
1 1 1 2  12 82  o 7.0680  2.3150 -0.9947000     4.631000  
1 1 1 2  12 83  o 7.0790  2.3510 0.8567000      4.701000  
1 1 1 2  12 84  o 7.9640  2.5110 -2.412000      5.021000  
1 1 1 2  12 85  o 5.9100  2.0240 1.731000       4.047000  
1 1 1 2  12 86  o 6.7670  2.2020 -2.609000      4.404000  
1 1 1 2  12 87  o 6.6000  2.1880 -2.536000      4.377000  
1 1 1 2  12 88  o 5.4600  1.9040 -0.1137000     3.808000  
1 1 1 2  12 89  o 5.8510  2.0070 -1.078000      4.015000  
1 1 1 2  12 90  o 5.4180  1.8980 -0.4230000     3.795000  
1 1 1 2  12 91  o 5.0350  1.7680 0.5252000      3.536000  
1 1 1 2  12 92  o 5.3110  1.8570 0.8085000E-01  3.714000  
1 1 1 2  12 93  o 4.6700  1.6670 -0.4056000     3.334000  
1 1 1 2  12 94  o 4.0730  1.4630 0.3736000      2.926000  
1 1 1 2  12 95  f 4.0230  1.4360 -0.1798000     2.872000  
1 1 1 2  13 0   o 34.870  0.7039 -0.000000      0.000000  
1 1 1 2  13 1   o 45.320  0.6327 -0.1081000E-01 1.265000  
1 1 1 2  13 2   o 12.380  0.3283 0.5226000      0.6565000 
1 1 1 2  13 3   o 26.510  0.3944 -1.658000      0.7887000 
1 1 1 2  13 4   f 51.770  0.7201 0.6804000      1.440000  
1 1 1 2  13 5   o 20.590  0.3597 0.7537000      0.7195000 
1 1 1 2  13 6   o 20.020  0.3290 -0.1644000     0.6579000 
1 1 1 2  13 7   o 34.060  0.4862 0.7989000      0.9724000 
1 1 1 2  13 8   o 34.910  0.4998 -0.3540000     0.9996000 
1 1 1 2  13 9   o 20.720  0.3398 0.2471000      0.6797000 
1 1 1 2  13 10  o 23.200  0.3614 -0.2568000     0.7229000 
1 1 1 2  13 11  o 32.640  0.4707 0.3983000      0.9414000 
1 1 1 2  13 12  f 35.820  0.5122 0.3569000      1.024000  
1 1 1 2  13 13  o 23.030  0.3932 -0.7899000     0.7865000 
1 1 1 2  13 14  o 12.400  0.3221 0.7352000      0.6443000 
1 1 1 2  13 15  o 31.150  0.4563 0.5309000      0.9126000 
1 1 1 2  13 16  o 34.460  0.4977 0.5590000      0.9953000 
1 1 1 2  13 17  o 37.550  0.5381 0.2142000      1.076000  
1 1 1 2  13 18  o 26.280  0.4034 0.2288000      0.8067000 
1 1 1 2  13 19  o 21.350  0.3612 0.6705000      0.7224000 
1 1 1 2  13 20  o 9.1550  0.4452 -0.9979000     0.8904000 
1 1 1 2  13 21  o 44.890  0.6349 -0.7068000     1.270000  
1 1 1 2  13 22  o 10.290  0.4716 -0.3168000     0.9431000 
1 1 1 2  13 23  o 53.460  0.7489 0.3377000      1.498000  
1 1 1 2  13 24  o 39.440  0.6136 1.907000       1.227000  
1 1 1 2  13 25  o 45.710  0.7018 0.1672000      1.404000  
1 1 1 2  13 26  o 13.220  0.4887 -0.3161000     0.9774000 
1 1 1 2  13 27  o 16.900  0.4413 1.382000       0.8826000 
1 1 1 2  13 28  f 19.630  0.4471 -0.7003000     0.8943000 
1 1 1 2  13 29  o 29.750  0.5341 0.7737000E-01  1.068000  
1 1 1 2  13 30  o 51.670  0.8464 -0.6440000     1.693000  
1 1 1 2  13 31  o 12.840  0.5156 -0.2265000     1.031000  
1 1 1 2  13 32  o 50.030  0.8219 -0.3464000     1.644000  
1 1 1 2  13 33  o 39.590  0.6730 0.2815000      1.346000  
1 1 1 2  13 34  o 13.690  0.5647 -1.455000      1.129000  
1 1 1 2  13 35  o 61.780  1.0050 0.1385000      2.010000  
1 1 1 2  13 36  o 19.830  0.5162 0.7421000      1.032000  
1 1 1 2  13 37  o 28.750  0.5548 -0.9459000     1.110000  
1 1 1 2  13 38  o 26.990  0.5478 1.032000       1.096000  
1 1 1 2  13 39  o 43.600  0.8371 0.6723000      1.674000  
1 1 1 2  13 40  o 31.920  0.6778 -0.8795000     1.356000  
1 1 1 2  13 41  o 18.240  0.7986 -0.3611000     1.597000  
1 1 1 2  13 42  o 38.950  0.8717 -0.2599000     1.743000  
1 1 1 2  13 43  o 26.430  0.7723 0.8559000      1.545000  
1 1 1 2  13 44  o 43.580  0.9378 -0.2477000     1.876000  
1 1 1 2  13 45  o 32.670  0.7965 -0.2387000     1.593000  
1 1 1 2  13 46  o 35.230  0.8237 -0.2090000     1.647000  
1 1 1 2  13 47  o 25.950  1.0740 ?              ?         
1 1 1 2  13 48  o 25.020  0.7817 -0.4073000     1.563000  
1 1 1 2  13 49  o 28.180  0.7973 -0.2317000     1.595000  
1 1 1 2  13 50  o 10.050  1.5310 5.297000       3.061000  
1 1 1 2  13 51  o 25.520  0.8315 -0.7287000E-01 1.663000  
1 1 1 2  13 52  o 4.6920  1.5020 -0.2289000     3.003000  
1 1 1 2  13 53  o 9.4390  1.9800 0.2119000      3.960000  
1 1 1 2  13 54  o 18.390  0.9822 -0.8444000E-01 1.964000  
1 1 1 2  13 55  o 8.3450  1.7660 -3.093000      3.532000  
1 1 1 2  13 56  o 30.190  0.8981 -1.816000      1.796000  
1 1 1 2  13 57  o 8.4770  1.9270 0.8983000E-01  3.855000  
1 1 1 2  13 58  o 8.6320  1.8380 4.672000       3.677000  
1 1 1 2  13 59  o 18.910  1.1690 0.9220000      2.338000  
1 1 1 2  13 60  o 12.440  1.7510 -1.615000      3.502000  
1 1 1 2  13 61  o 8.9870  1.8900 5.372000       3.781000  
1 1 1 2  13 62  o 13.590  1.6330 2.880000       3.267000  
1 1 1 2  13 63  o 23.650  1.0910 -0.7094000     2.182000  
1 1 1 2  13 64  o 9.4900  2.2450 -3.028000      4.490000  
1 1 1 2  13 65  o 6.2150  1.8990 1.309000       3.798000  
1 1 1 2  13 66  o 18.410  1.4680 2.089000       2.935000  
1 1 1 2  13 67  o 14.630  1.7950 0.8317000      3.590000  
1 1 1 2  13 68  o 9.1730  2.2110 1.501000       4.421000  
1 1 1 2  13 69  o 12.190  2.1390 -1.701000      4.277000  
1 1 1 2  13 70  o 13.200  2.0300 0.5316000      4.061000  
1 1 1 2  13 71  o 9.9490  2.2530 -0.5776000     4.505000  
1 1 1 2  13 72  o 11.950  2.2860 -2.263000      4.572000  
1 1 1 2  13 73  f 7.0910  2.1670 0.2009000      4.334000  
1 1 1 2  13 74  o 17.450  1.8350 -1.374000      3.670000  
1 1 1 2  13 75  o 8.2030  2.3390 -0.2740000     4.677000  
1 1 1 2  13 76  f 6.0050  1.9850 0.8237000      3.969000  
1 1 1 2  13 77  o 5.8650  1.9060 -1.704000      3.811000  
1 1 1 2  13 78  o 6.4760  2.0260 -1.454000      4.052000  
1 1 1 2  13 79  f 6.1310  1.9740 -1.748000      3.949000  
1 1 1 2  13 80  o 6.9640  2.2180 2.060000       4.436000  
1 1 1 2  13 81  o 7.1780  2.1770 -2.973000      4.354000  
1 1 1 2  13 82  o 7.1880  2.3010 0.9095000      4.603000  
1 1 1 2  13 83  o 6.7360  2.1640 -0.3028000     4.327000  
1 1 1 2  13 84  o 5.9680  1.9730 -0.4635000     3.945000  
1 1 1 2  13 85  o 6.5600  2.1200 1.640000       4.240000  
1 1 1 2  13 86  o 5.2220  1.8320 0.6615000      3.664000  
1 1 1 2  13 87  o 5.0620  1.7790 -0.5371000     3.557000  
1 1 1 2  13 88  o 5.5120  1.9170 0.7941000      3.834000  
1 1 1 2  13 89  o 5.7380  1.9820 -0.5984000     3.965000  
1 1 1 2  13 90  o 5.0620  1.7850 0.7324000E-02  3.571000  
1 1 1 2  13 91  o 4.9370  1.7540 0.1412000      3.509000  
1 1 1 2  13 92  o 4.6610  1.6500 0.6175000      3.300000  
1 1 1 2  13 93  f 4.3360  1.5330 -0.2479000     3.065000  
1 1 1 2  13 94  o 3.7900  1.3590 0.3836000      2.718000  
1 1 1 2  14 0   o 35.140  0.7092 -0.000000      0.000000  
1 1 1 2  14 1   o 12.750  0.3600 -0.7056000     0.7200000 
1 1 1 2  14 2   o 20.320  0.3359 0.5234000E-01  0.6717000 
1 1 1 2  14 3   o 13.740  0.3350 -0.7375000     0.6700000 
1 1 1 2  14 4   o 36.950  0.5253 -0.2058000     1.051000  
1 1 1 2  14 5   o 17.090  0.3650 -1.417000      0.7299000 
1 1 1 2  14 6   o 28.700  0.4229 -0.1503000     0.8458000 
1 1 1 2  14 7   o 18.570  0.3489 -0.5139000     0.6979000 
1 1 1 2  14 8   o 12.850  0.3222 0.6794000E-01  0.6445000 
1 1 1 2  14 9   o 17.920  0.3249 0.2631000      0.6497000 
1 1 1 2  14 10  o 10.050  0.4158 -1.075000      0.8315000 
1 1 1 2  14 11  o 45.610  0.6414 0.6449000      1.283000  
1 1 1 2  14 12  o 26.510  0.4359 0.6339000E-01  0.8717000 
1 1 1 2  14 13  o 17.150  0.3822 -0.4482000     0.7645000 
1 1 1 2  14 14  o 31.560  0.4628 0.1857000      0.9256000 
1 1 1 2  14 15  o 30.910  0.4552 -0.2639000E-01 0.9105000 
1 1 1 2  14 16  o 10.810  0.4045 -1.095000      0.8091000 
1 1 1 2  14 17  o 10.710  0.3783 -0.9415000     0.7566000 
1 1 1 2  14 18  o 9.7150  0.4256 -0.5682000     0.8512000 
1 1 1 2  14 19  f 24.540  0.3941 0.4415000      0.7882000 
1 1 1 2  14 20  o 30.500  0.4566 -0.3786000     0.9133000 
1 1 1 2  14 21  o 24.180  0.3941 0.1990000      0.7883000 
1 1 1 2  14 22  o 32.460  0.4820 0.2189000      0.9639000 
1 1 1 2  14 23  o 28.950  0.4452 -0.7646000     0.8904000 
1 1 1 2  14 24  o 31.780  0.4783 0.3850000      0.9566000 
1 1 1 2  14 25  o 30.920  0.4702 0.8308000      0.9404000 
1 1 1 2  14 26  o 62.260  0.9402 0.2118000      1.880000  
1 1 1 2  14 27  o 33.160  0.5791 -0.9955000     1.158000  
1 1 1 2  14 28  o 26.770  0.5075 -0.3019000     1.015000  
1 1 1 2  14 29  o 25.630  0.4979 0.9175000      0.9959000 
1 1 1 2  14 30  o 22.790  0.4810 -0.6869000     0.9620000 
1 1 1 2  14 31  o 41.790  0.7024 -0.5903000     1.405000  
1 1 1 2  14 32  o 65.860  1.0680 -0.4330000     2.135000  
1 1 1 2  14 33  o 20.960  0.4971 0.1819000      0.9943000 
1 1 1 2  14 34  o 42.830  0.7221 0.4159000      1.444000  
1 1 1 2  14 35  o 41.560  0.7110 0.4160000E-01  1.422000  
1 1 1 2  14 36  o 56.490  0.9263 0.7380000E-01  1.853000  
1 1 1 2  14 37  o 52.840  0.8729 0.4807000      1.746000  
1 1 1 2  14 38  f 31.800  0.5932 -1.648000      1.186000  
1 1 1 2  14 39  o 20.820  0.5372 -1.599000      1.074000  
1 1 1 2  14 40  f 64.460  1.0530 -0.9148000     2.106000  
1 1 1 2  14 41  o 28.050  0.5738 -0.3669000E-01 1.148000  
1 1 1 2  14 42  o 7.2070  1.4320 4.049000       2.863000  
1 1 1 2  14 43  o 13.250  0.8207 1.583000       1.641000  
1 1 1 2  14 44  o 28.120  0.6715 -0.9950000     1.343000  
1 1 1 2  14 45  o 19.630  0.8012 0.4351000      1.602000  
1 1 1 2  14 46  o 16.560  0.9260 -0.2960000     1.852000  
1 1 1 2  14 47  o 4.6170  1.4570 -0.5484000     2.915000  
1 1 1 2  14 48  o 25.130  0.8004 -0.2388000     1.601000  
1 1 1 2  14 49  o 24.630  0.8263 0.4227000      1.653000  
1 1 1 2  14 50  o 24.000  0.8351 0.3804000      1.670000  
1 1 1 2  14 51  o 7.4300  1.8020 -0.1626000     3.604000  
1 1 1 2  14 52  o 12.870  1.3090 0.4778000      2.617000  
1 1 1 2  14 53  o 8.3450  1.7800 -2.332000      3.560000  
1 1 1 2  14 54  o 14.030  1.3300 0.8463000      2.660000  
1 1 1 2  14 55  o 35.170  0.9242 1.092000       1.848000  
1 1 1 2  14 56  o 15.670  1.2860 -2.008000      2.572000  
1 1 1 2  14 57  o 5.1550  1.6630 0.1675000      3.326000  
1 1 1 2  14 58  o 6.8240  1.8590 1.700000       3.718000  
1 1 1 2  14 59  o 14.210  1.8730 0.7409000      3.745000  
1 1 1 2  14 60  o 5.6530  1.7800 -0.3524000     3.560000  
1 1 1 2  14 61  o 23.180  1.1200 -2.066000      2.240000  
1 1 1 2  14 62  o 9.9820  2.0760 1.052000       4.153000  
1 1 1 2  14 63  o 7.2730  2.0480 -1.226000      4.097000  
1 1 1 2  14 64  o 7.4390  2.0610 -2.488000      4.122000  
1 1 1 2  14 65  o 12.890  1.9450 -3.660000      3.890000  
1 1 1 2  14 66  o 5.8770  1.8530 -1.807000      3.707000  
1 1 1 2  14 67  f 11.290  2.0890 -5.060000      4.178000  
1 1 1 2  14 68  o 13.080  2.0060 -1.763000      4.011000  
1 1 1 2  14 69  o 13.440  2.0280 -4.626000      4.056000  
1 1 1 2  14 70  o 6.2630  1.9430 -2.143000      3.887000  
1 1 1 2  14 71  o 7.3540  2.3360 0.6908000      4.671000  
1 1 1 2  14 72  o 8.6930  2.3070 -0.3407000     4.614000  
1 1 1 2  14 73  o 6.9960  2.1490 0.2210000      4.299000  
1 1 1 2  14 74  o 6.7520  2.1100 1.071000       4.220000  
1 1 1 2  14 75  o 12.160  2.2640 0.9718000      4.527000  
1 1 1 2  14 76  o 6.0480  1.9730 0.4262000      3.946000  
1 1 1 2  14 77  o 6.4050  2.0130 -0.1460000     4.027000  
1 1 1 2  14 78  o 6.6520  2.0760 -1.139000      4.152000  
1 1 1 2  14 79  o 6.3350  2.0330 1.368000       4.066000  
1 1 1 2  14 80  o 8.4300  2.2800 2.959000       4.561000  
1 1 1 2  14 81  o 5.8780  1.9220 1.644000       3.843000  
1 1 1 2  14 82  o 4.9150  1.6790 0.6900000E-01  3.359000  
1 1 1 2  14 83  o 6.3490  1.9850 1.453000       3.970000  
1 1 1 2  14 84  o 5.4110  1.8490 1.388000       3.699000  
1 1 1 2  14 85  o 6.1100  2.0210 2.225000       4.042000  
1 1 1 2  14 86  o 5.4710  1.8790 1.343000       3.759000  
1 1 1 2  14 87  o 6.0060  2.0020 1.606000       4.004000  
1 1 1 2  14 88  o 5.6020  1.8630 -0.8091000     3.726000  
1 1 1 2  14 89  o 4.3250  1.5320 0.4592000E-03  3.065000  
1 1 1 2  14 90  o 4.4690  1.5980 -0.9639000E-02 3.195000  
1 1 1 2  14 91  o 4.5700  1.6100 -0.1878000     3.220000  
1 1 1 2  14 92  o 4.1860  1.4880 0.8562000      2.977000  
1 1 1 2  15 0   o 14.530  0.5330 -0.000000      0.000000  
1 1 1 2  15 1   o 29.140  0.4332 -1.401000      0.8664000 
1 1 1 2  15 2   o 47.890  0.6729 1.389000       1.346000  
1 1 1 2  15 3   o 39.720  0.5645 0.1614000      1.129000  
1 1 1 2  15 4   o 14.030  0.4256 -0.8877000     0.8512000 
1 1 1 2  15 5   o 13.900  0.3307 0.7580000      0.6613000 
1 1 1 2  15 6   o 36.330  0.5202 0.7452000      1.040000  
1 1 1 2  15 7   o 29.340  0.4360 0.2211000      0.8719000 
1 1 1 2  15 8   o 14.510  0.3521 -1.092000      0.7041000 
1 1 1 2  15 9   o 10.590  0.5748 4.674000       1.150000  
1 1 1 2  15 10  o 44.110  0.6224 0.3640000      1.245000  
1 1 1 2  15 11  o 23.960  0.4113 -0.7485000     0.8225000 
1 1 1 2  15 12  o 21.280  0.4164 -0.2786000     0.8329000 
1 1 1 2  15 13  o 52.940  0.7413 -0.2437000     1.483000  
1 1 1 2  15 14  o 19.020  0.4570 0.6819000      0.9139000 
1 1 1 2  15 15  o 19.000  0.3510 0.1272000      0.7020000 
1 1 1 2  15 16  o 24.180  0.3911 -0.6532000     0.7821000 
1 1 1 2  15 17  o 50.230  0.7064 0.2969000      1.413000  
1 1 1 2  15 18  o 61.110  0.8528 1.525000       1.706000  
1 1 1 2  15 19  o 33.980  0.5420 -1.244000      1.084000  
1 1 1 2  15 20  o 49.100  0.6921 0.5038000      1.384000  
1 1 1 2  15 21  o 76.140  1.0580 0.4295000      2.116000  
1 1 1 2  15 22  o 12.310  0.5657 0.1751000      1.131000  
1 1 1 2  15 23  o 18.310  0.4065 -0.4957000     0.8130000 
1 1 1 2  15 24  f 36.430  0.5360 0.5019000      1.072000  
1 1 1 2  15 25  o 11.870  0.5043 0.5943000      1.009000  
1 1 1 2  15 26  o 24.980  0.4198 0.1903000      0.8396000 
1 1 1 2  15 27  o 14.640  0.4363 0.3762000      0.8726000 
1 1 1 2  15 28  o 43.980  0.6822 0.6038000      1.364000  
1 1 1 2  15 29  o 31.030  0.5589 0.3144000      1.118000  
1 1 1 2  15 30  o 16.940  0.4722 0.5250000      0.9443000 
1 1 1 2  15 31  f 58.600  0.9539 -0.4663000     1.908000  
1 1 1 2  15 32  o 19.510  0.5383 -1.579000      1.077000  
1 1 1 2  15 33  f 7.3600  0.8729 -0.5737000E-01 1.746000  
1 1 1 2  15 34  o 16.680  0.5049 -0.5036000     1.010000  
1 1 1 2  15 35  o 20.990  0.5171 -1.092000      1.034000  
1 1 1 2  15 36  o 24.900  0.5327 0.4328000E-02  1.065000  
1 1 1 2  15 37  o 37.140  0.6605 -1.083000      1.321000  
1 1 1 2  15 38  o 20.420  0.6318 3.308000       1.264000  
1 1 1 2  15 39  o 18.650  0.5595 0.2577000      1.119000  
1 1 1 2  15 40  f 31.050  0.5966 -0.7748000     1.193000  
1 1 1 2  15 41  o 14.610  0.6226 -0.9234000E-01 1.245000  
1 1 1 2  15 42  o 14.110  0.6436 -0.4845000     1.287000  
1 1 1 2  15 43  o 24.280  0.5674 -0.9533000     1.135000  
1 1 1 2  15 44  o 7.8190  1.1460 -1.660000      2.293000  
1 1 1 2  15 45  o 18.500  0.5963 0.3355000      1.193000  
1 1 1 2  15 46  o 15.410  0.9070 -3.570000      1.814000  
1 1 1 2  15 47  o 17.800  0.7773 1.005000       1.555000  
1 1 1 2  15 48  o 13.710  0.9140 1.206000       1.828000  
1 1 1 2  15 49  o 10.170  1.5340 3.263000       3.068000  
1 1 1 2  15 50  o 18.530  0.9729 -1.405000      1.946000  
1 1 1 2  15 51  o 29.280  0.8600 -0.1761000     1.720000  
1 1 1 2  15 52  o 21.770  0.9470 -1.821000      1.894000  
1 1 1 2  15 53  o 7.0970  1.8370 -1.332000      3.673000  
1 1 1 2  15 54  o 6.1100  1.7780 -0.5227000     3.557000  
1 1 1 2  15 55  o 10.590  1.7670 0.4420000      3.534000  
1 1 1 2  15 56  o 14.560  1.4620 1.599000       2.925000  
1 1 1 2  15 57  o 6.3870  1.8830 0.6163000      3.767000  
1 1 1 2  15 58  o 9.3350  1.9770 -0.8564000     3.954000  
1 1 1 2  15 59  o 5.8790  1.7860 -1.701000      3.573000  
1 1 1 2  15 60  f 21.160  1.1370 -2.179000      2.274000  
1 1 1 2  15 61  o 7.7040  2.0220 2.228000       4.044000  
1 1 1 2  15 62  o 5.8190  1.8370 0.5518000E-02  3.674000  
1 1 1 2  15 63  o 8.6480  2.0410 3.730000       4.082000  
1 1 1 2  15 64  o 5.6580  1.8240 -0.4610000     3.648000  
1 1 1 2  15 65  o 18.370  1.3790 -0.6847000     2.758000  
1 1 1 2  15 66  o 7.7590  2.3150 -1.733000      4.629000  
1 1 1 2  15 67  o 9.1610  2.1930 -2.399000      4.385000  
1 1 1 2  15 68  o 9.7730  2.2210 -2.789000      4.441000  
1 1 1 2  15 69  o 6.9580  2.0840 -1.774000      4.167000  
1 1 1 2  15 70  o 7.3320  2.0030 4.435000       4.005000  
1 1 1 2  15 71  o 8.1820  2.2070 2.267000       4.414000  
1 1 1 2  15 72  o 8.2460  2.2310 -2.591000      4.463000  
1 1 1 2  15 73  f 7.0640  2.1240 1.251000       4.249000  
1 1 1 2  15 74  o 15.350  1.8710 -1.410000      3.742000  
1 1 1 2  15 75  o 5.8420  1.9190 -1.429000      3.838000  
1 1 1 2  15 76  f 10.100  2.2400 -4.908000      4.481000  
1 1 1 2  15 77  o 5.6990  1.8810 -1.469000      3.761000  
1 1 1 2  15 78  o 8.1900  2.4710 1.292000       4.943000  
1 1 1 2  15 79  o 6.8560  2.2030 0.6842000      4.407000  
1 1 1 2  15 80  f 4.7420  1.6400 -0.8595000     3.280000  
1 1 1 2  15 81  o 6.4040  1.9650 2.065000       3.931000  
1 1 1 2  15 82  f 8.8590  2.2920 0.3893000      4.584000  
1 1 1 2  15 83  o 6.8320  2.0750 -0.5048000E-01 4.150000  
1 1 1 2  15 84  o 6.3890  1.9540 2.809000       3.908000  
1 1 1 2  15 85  o 5.3300  1.7860 0.3037000      3.571000  
1 1 1 2  15 86  o 4.9920  1.6960 0.3346000      3.393000  
1 1 1 2  15 87  o 5.4220  1.7950 0.1404000      3.590000  
1 1 1 2  15 88  o 5.1620  1.7620 0.9290000      3.523000  
1 1 1 2  15 89  o 4.5350  1.5770 0.2527000      3.153000  
1 1 1 2  15 90  o 4.3040  1.4820 0.3805000E-01  2.965000  
1 1 1 2  15 91  o 4.2570  1.5060 0.4756000      3.012000  
1 1 1 2  16 0   o 23.930  0.5420 0.000000       0.000000  
1 1 1 2  16 1   o 26.490  0.4468 -4.366000      0.8936000 
1 1 1 2  16 2   o 30.540  0.4517 -0.2106000     0.9034000 
1 1 1 2  16 3   o 19.470  0.4560 2.918000       0.9119000 
1 1 1 2  16 4   o 48.820  0.6850 1.512000       1.370000  
1 1 1 2  16 5   o 52.410  0.9593 4.024000       1.919000  
1 1 1 2  16 6   o 46.270  0.6516 -1.100000      1.303000  
1 1 1 2  16 7   o 13.760  0.4560 1.397000       0.9121000 
1 1 1 2  16 8   f 15.960  0.3430 1.050000       0.6859000 
1 1 1 2  16 9   o 21.450  0.3658 0.7482000E-01  0.7316000 
1 1 1 2  16 10  o 38.780  0.5542 0.6182000      1.108000  
1 1 1 2  16 11  o 33.610  0.4925 -1.652000      0.9850000 
1 1 1 2  16 12  o 20.070  0.4178 -1.023000      0.8355000 
1 1 1 2  16 13  o 31.810  0.4719 0.1911000      0.9438000 
1 1 1 2  16 14  o 34.630  0.5063 0.7731000      1.013000  
1 1 1 2  16 15  o 26.110  0.4134 0.9372000E-01  0.8269000 
1 1 1 2  16 16  o 16.940  0.4746 -0.2487000     0.9492000 
1 1 1 2  16 17  o 26.470  0.4211 -0.3549000     0.8422000 
1 1 1 2  16 18  o 40.730  0.5849 -0.1478000E-01 1.170000  
1 1 1 2  16 19  o 15.360  0.5327 0.3749000      1.065000  
1 1 1 2  16 20  o 45.430  0.6458 0.4140000      1.292000  
1 1 1 2  16 21  o 38.870  0.5646 -0.2654000     1.129000  
1 1 1 2  16 22  o 25.600  0.4604 -0.4070000     0.9208000 
1 1 1 2  16 23  o 34.420  0.5148 0.3207000      1.030000  
1 1 1 2  16 24  o 24.560  0.4188 -0.6405000     0.8377000 
1 1 1 2  16 25  o 20.020  0.3938 0.5223000      0.7875000 
1 1 1 2  16 26  o 15.370  0.4065 0.1857000      0.8129000 
1 1 1 2  16 27  o 33.510  0.5128 -0.1295000     1.026000  
1 1 1 2  16 28  f 24.470  0.4601 -0.3519000     0.9202000 
1 1 1 2  16 29  o 34.150  0.5629 0.4056000      1.126000  
1 1 1 2  16 30  o 27.190  0.5282 0.8153000      1.056000  
1 1 1 2  16 31  o 16.120  0.5221 0.5560000      1.044000  
1 1 1 2  16 32  o 25.870  0.5303 0.4458000      1.061000  
1 1 1 2  16 33  o 18.060  0.5262 0.5126000      1.052000  
1 1 1 2  16 34  o 24.850  0.5311 -0.2281000     1.062000  
1 1 1 2  16 35  o 19.690  0.5237 -0.7604000     1.047000  
1 1 1 2  16 36  o 25.710  0.5394 -0.2658000     1.079000  
1 1 1 2  16 37  o 14.200  0.8478 -2.066000      1.696000  
1 1 1 2  16 38  o 31.940  0.6014 -0.8325000     1.203000  
1 1 1 2  16 39  o 24.740  0.5618 0.9315000      1.124000  
1 1 1 2  16 40  f 28.830  0.5776 -1.025000      1.155000  
1 1 1 2  16 41  o 20.350  0.5564 0.6560000      1.113000  
1 1 1 2  16 42  f 37.040  0.6724 -0.3983000E-01 1.345000  
1 1 1 2  16 43  o 24.960  0.5934 -0.9069000     1.187000  
1 1 1 2  16 44  o 3.9850  1.2100 0.5302000      2.421000  
1 1 1 2  16 45  o 17.570  0.6285 -0.1153000     1.257000  
1 1 1 2  16 46  o 13.750  0.7537 0.8094000      1.507000  
1 1 1 2  16 47  o 9.1700  1.1040 -2.485000      2.207000  
1 1 1 2  16 48  o 11.680  0.8997 -0.3501000     1.799000  
1 1 1 2  16 49  o 23.810  0.6312 -0.7432000     1.262000  
1 1 1 2  16 50  o 15.600  0.7374 0.1492000      1.475000  
1 1 1 2  16 51  o 30.840  0.7822 0.6393000E-01  1.564000  
1 1 1 2  16 52  o 14.920  1.1170 -3.378000      2.233000  
1 1 1 2  16 53  o 11.580  1.6220 5.617000       3.243000  
1 1 1 2  16 54  o 24.320  0.9768 -0.2198000     1.954000  
1 1 1 2  16 55  o 33.890  0.9486 -1.118000      1.897000  
1 1 1 2  16 56  o 12.090  1.7220 -0.6246000E-01 3.445000  
1 1 1 2  16 57  o 15.920  1.3860 3.609000       2.771000  
1 1 1 2  16 58  o 7.4000  1.9950 -0.7229000     3.989000  
1 1 1 2  16 59  o 9.0290  1.8760 5.327000       3.751000  
1 1 1 2  16 60  o 20.870  1.6780 ?              ?         
1 1 1 2  16 61  o 8.8600  2.0570 0.4136000      4.115000  
1 1 1 2  16 62  o 5.9880  1.8720 0.4154000      3.744000  
1 1 1 2  16 63  o 25.850  1.1080 -0.4212000E-01 2.216000  
1 1 1 2  16 64  o 7.8310  2.9650 ?              ?         
1 1 1 2  16 65  f 9.4950  2.2060 0.2880000      4.412000  
1 1 1 2  16 66  o 9.1280  2.1770 -1.809000      4.354000  
1 1 1 2  16 67  o 6.5330  1.9980 -1.445000      3.997000  
1 1 1 2  16 68  o 6.6720  2.0150 1.783000       4.029000  
1 1 1 2  16 69  o 6.2160  1.9690 -0.8795000     3.938000  
1 1 1 2  16 70  o 13.880  1.9680 -2.299000      3.937000  
1 1 1 2  16 71  o 5.9380  1.9180 0.4901000E-01  3.836000  
1 1 1 2  16 72  o 10.780  2.2250 -0.6017000     4.450000  
1 1 1 2  16 73  o 7.2010  2.2730 -0.3049000     4.546000  
1 1 1 2  16 74  o 11.890  2.2910 -3.929000      4.581000  
1 1 1 2  16 75  o 13.650  2.1330 -0.9926000     4.266000  
1 1 1 2  16 76  o 6.1100  1.9880 -0.7851000E-02 3.977000  
1 1 1 2  16 77  o 5.9110  1.9340 -0.1485000     3.868000  
1 1 1 2  16 78  o 6.1040  1.9320 -0.5632000     3.863000  
1 1 1 2  16 79  o 4.9490  1.6840 -0.1350000     3.368000  
1 1 1 2  16 80  o 5.0520  1.7090 -0.1525000     3.419000  
1 1 1 2  16 81  o 4.9240  1.6850 -0.5929000E-01 3.370000  
1 1 1 2  16 82  o 4.7320  1.6370 0.2698000      3.274000  
1 1 1 2  16 83  o 4.3730  1.5280 -0.2101000     3.056000  
1 1 1 2  16 84  o 5.1050  1.7190 -0.3617000E-01 3.439000  
1 1 1 2  16 85  o 4.1930  1.4670 -0.6314000     2.934000  
1 1 1 2  16 86  o 3.9190  1.3810 0.1880000      2.762000  
1 1 1 2  16 87  o 5.0790  1.7350 0.2267000      3.470000  
1 1 1 2  16 88  o 3.5190  1.2350 0.1884000      2.470000  
1 1 1 2  16 89  o 4.1670  1.4700 -0.2158000     2.941000  
1 1 1 2  17 0   f 10.980  0.5760 0.000000       0.000000  
1 1 1 2  17 1   o 17.820  0.4346 4.411000       0.8692000 
1 1 1 2  17 2   o 35.040  0.5085 0.2270000      1.017000  
1 1 1 2  17 3   o 13.690  0.4152 -1.602000      0.8304000 
1 1 1 2  17 4   o 18.940  0.3596 0.2783000      0.7192000 
1 1 1 2  17 5   o 20.590  0.5322 -8.139000      1.064000  
1 1 1 2  17 6   o 52.870  0.7403 -0.3349000     1.481000  
1 1 1 2  17 7   o 23.050  0.4978 -2.133000      0.9956000 
1 1 1 2  17 8   o 38.310  0.5533 -0.1526000     1.107000  
1 1 1 2  17 9   o 40.520  0.5809 1.650000       1.162000  
1 1 1 2  17 10  o 22.470  0.5483 -4.370000      1.097000  
1 1 1 2  17 11  o 51.570  0.7247 1.024000       1.449000  
1 1 1 2  17 12  o 56.830  0.8605 -0.3352000     1.721000  
1 1 1 2  17 13  o 50.600  0.7130 0.1784000      1.426000  
1 1 1 2  17 14  f 48.670  0.7946 0.8275000      1.589000  
1 1 1 2  17 15  o 31.930  0.5199 1.157000       1.040000  
1 1 1 2  17 16  o 25.990  0.4214 -0.8193000     0.8428000 
1 1 1 2  17 17  o 47.870  0.6780 -0.1563000     1.356000  
1 1 1 2  17 18  o 33.050  0.5787 -2.523000      1.157000  
1 1 1 2  17 19  o 66.250  0.9241 0.8299000E-01  1.848000  
1 1 1 2  17 20  o 38.340  0.7247 1.351000       1.449000  
1 1 1 2  17 21  o 28.100  0.4486 0.4214000      0.8971000 
1 1 1 2  17 22  o 27.960  0.4498 -0.9028000E-01 0.8995000 
1 1 1 2  17 23  o 51.730  0.7333 0.3782000      1.467000  
1 1 1 2  17 24  o 17.550  0.4509 0.3184000      0.9017000 
1 1 1 2  17 25  o 16.740  0.4270 -1.038000      0.8540000 
1 1 1 2  17 26  o 25.390  0.4403 0.9761000      0.8807000 
1 1 1 2  17 27  f 29.190  0.4700 0.6873000      0.9401000 
1 1 1 2  17 28  o 23.660  0.4288 0.7215000      0.8576000 
1 1 1 2  17 29  o 29.310  0.4752 0.6538000      0.9504000 
1 1 1 2  17 30  o 18.780  0.5011 -2.089000      1.002000  
1 1 1 2  17 31  o 42.300  0.6697 -0.5875000E-03 1.339000  
1 1 1 2  17 32  o 20.850  0.5102 1.484000       1.020000  
1 1 1 2  17 33  o 30.520  0.5743 -0.7108000     1.149000  
1 1 1 2  17 34  o 36.920  0.6496 0.1135000E-01  1.299000  
1 1 1 2  17 35  o 21.970  0.6026 -2.265000      1.205000  
1 1 1 2  17 36  o 45.500  0.7720 0.1530000      1.544000  
1 1 1 2  17 37  o 17.200  0.5733 -0.4000000     1.147000  
1 1 1 2  17 38  o 30.650  0.5976 -0.1002000E-01 1.195000  
1 1 1 2  17 39  o 38.230  0.6870 -0.4220000     1.374000  
1 1 1 2  17 40  o 17.530  0.6203 -1.143000      1.241000  
1 1 1 2  17 41  f 31.250  0.6188 -0.1599000     1.238000  
1 1 1 2  17 42  o 30.290  0.6086 0.7327000      1.217000  
1 1 1 2  17 43  o 23.860  0.6030 0.8722000E-01  1.206000  
1 1 1 2  17 44  o 15.180  0.7254 -0.2575000     1.451000  
1 1 1 2  17 45  o 17.040  0.6690 0.8261000      1.338000  
1 1 1 2  17 46  o 8.3250  1.2190 -2.296000      2.438000  
1 1 1 2  17 47  o 43.650  0.7737 0.3045000      1.547000  
1 1 1 2  17 48  o 12.810  0.8700 0.6029000      1.740000  
1 1 1 2  17 49  o 11.620  0.9443 -1.690000      1.889000  
1 1 1 2  17 50  o 6.9650  1.4100 -0.7335000     2.821000  
1 1 1 2  17 51  o 16.110  0.7835 -0.2146000E-01 1.567000  
1 1 1 2  17 52  o 17.220  0.7400 0.9106000      1.480000  
1 1 1 2  17 53  o 20.040  0.6911 -0.5908000     1.382000  
1 1 1 2  17 54  o 20.240  0.7058 -0.8480000     1.412000  
1 1 1 2  17 55  o 24.570  0.8415 -0.6246000     1.683000  
1 1 1 2  17 56  o 5.8850  1.6770 0.6695000      3.354000  
1 1 1 2  17 57  o 7.4470  1.7770 2.325000       3.554000  
1 1 1 2  17 58  o 21.180  1.1250 1.049000       2.250000  
1 1 1 2  17 59  o 6.5870  1.9190 1.202000       3.838000  
1 1 1 2  17 60  o 8.5140  1.9500 -4.851000      3.901000  
1 1 1 2  17 61  o 7.6970  2.0330 2.158000       4.066000  
1 1 1 2  17 62  o 8.9170  2.1020 -0.2220000     4.203000  
1 1 1 2  17 63  o 8.5180  2.0770 2.862000       4.154000  
1 1 1 2  17 64  o 13.490  1.8380 3.997000       3.676000  
1 1 1 2  17 65  o 5.8950  1.8600 -2.032000      3.720000  
1 1 1 2  17 66  o 7.8850  2.0860 -3.691000      4.173000  
1 1 1 2  17 67  o 7.4590  2.1030 0.5663000      4.206000  
1 1 1 2  17 68  o 7.1480  2.0670 -1.173000      4.134000  
1 1 1 2  17 69  o 5.7010  1.8510 -0.4004000     3.702000  
1 1 1 2  17 70  f 5.1210  1.7240 0.2431000      3.448000  
1 1 1 2  17 71  o 8.8840  2.2610 1.098000       4.522000  
1 1 1 2  17 72  o 9.3860  2.2840 -1.251000      4.568000  
1 1 1 2  17 73  o 5.4650  1.8290 0.1727000      3.658000  
1 1 1 2  17 74  o 5.9820  1.9390 0.6320000      3.879000  
1 1 1 2  17 75  f 6.1310  1.9370 2.756000       3.874000  
1 1 1 2  17 76  o 4.8500  1.6670 -0.3235000     3.334000  
1 1 1 2  17 77  o 6.3670  1.9870 -1.350000      3.974000  
1 1 1 2  17 78  o 5.1670  1.7410 1.577000       3.481000  
1 1 1 2  17 79  o 5.7260  1.8690 1.277000       3.738000  
1 1 1 2  17 80  o 5.6570  1.8470 0.1119000      3.695000  
1 1 1 2  17 81  o 5.1430  1.8110 -1.790000      3.622000  
1 1 1 2  17 82  o 4.9570  1.7380 -0.9647000     3.477000  
1 1 1 2  17 83  o 5.4190  1.7700 1.623000       3.540000  
1 1 1 2  17 84  o 5.1710  1.7080 -1.218000      3.416000  
1 1 1 2  17 85  o 4.5180  1.5510 0.8891000E-01  3.102000  
1 1 1 2  17 86  o 3.5250  1.2420 -0.4730000     2.483000  
1 1 1 2  17 87  o 4.0140  1.4180 0.7107000E-01  2.836000  
1 1 1 2  17 88  o 4.5820  2.2430 ?              ?         
1 1 1 2  18 0   o 38.910  0.9213 0.000000       0.000000  
1 1 1 2  18 1   o 53.960  0.7581 -0.5068000     1.516000  
1 1 1 2  18 2   o 39.650  0.6644 5.309000       1.329000  
1 1 1 2  18 3   o 45.130  0.6960 1.433000       1.392000  
1 1 1 2  18 4   o 57.940  0.8844 3.906000       1.769000  
1 1 1 2  18 5   o 64.930  0.9072 0.3087000      1.814000  
1 1 1 2  18 6   o 33.180  0.7098 -13.02000      1.420000  
1 1 1 2  18 7   o 27.750  0.4686 -1.569000      0.9373000 
1 1 1 2  18 8   o 25.070  0.4136 -0.4096000     0.8273000 
1 1 1 2  18 9   o 24.120  0.5370 4.412000       1.074000  
1 1 1 2  18 10  o 56.910  0.7977 0.5592000      1.595000  
1 1 1 2  18 11  o 38.140  0.7111 -3.930000      1.422000  
1 1 1 2  18 12  o 47.660  0.7309 -0.4399000     1.462000  
1 1 1 2  18 13  o 31.280  0.5529 0.7458000E-01  1.106000  
1 1 1 2  18 14  o 22.790  0.4718 -0.3187000E-01 0.9437000 
1 1 1 2  18 15  o 23.120  0.4117 0.5456000      0.8234000 
1 1 1 2  18 16  o 17.490  0.5220 4.594000       1.044000  
1 1 1 2  18 17  o 29.900  0.4669 0.9827000      0.9339000 
1 1 1 2  18 18  o 24.450  0.5617 -6.002000      1.123000  
1 1 1 2  18 19  o 72.300  1.0090 0.6031000      2.018000  
1 1 1 2  18 20  o 45.440  0.7601 -6.803000      1.520000  
1 1 1 2  18 21  o 42.960  0.6231 1.826000       1.246000  
1 1 1 2  18 22  o 21.870  0.4949 1.074000       0.9898000 
1 1 1 2  18 23  o 27.260  0.4516 0.5903000E-01  0.9032000 
1 1 1 2  18 24  o 53.480  0.7573 -0.4058000     1.515000  
1 1 1 2  18 25  o 40.740  0.6505 -2.726000      1.301000  
1 1 1 2  18 26  o 54.130  0.7674 0.3230000      1.535000  
1 1 1 2  18 27  o 36.640  0.5977 0.1397000      1.195000  
1 1 1 2  18 28  o 35.880  0.5423 0.7094000E-01  1.085000  
1 1 1 2  18 29  o 24.510  0.4479 -0.2120000     0.8959000 
1 1 1 2  18 30  o 43.880  0.6396 -0.5083000     1.279000  
1 1 1 2  18 31  o 8.4880  0.9906 0.8198000      1.981000  
1 1 1 2  18 32  o 13.580  0.5624 -1.181000      1.125000  
1 1 1 2  18 33  o 24.390  0.5370 -0.3504000     1.074000  
1 1 1 2  18 34  o 26.980  0.5586 -0.2165000     1.117000  
1 1 1 2  18 35  o 11.300  0.7621 -0.5103000     1.524000  
1 1 1 2  18 36  o 16.620  0.5893 0.2788000      1.179000  
1 1 1 2  18 37  o 56.080  0.9310 -1.238000      1.862000  
1 1 1 2  18 38  o 14.500  0.6943 -0.2303000     1.389000  
1 1 1 2  18 39  f 15.190  0.6611 0.7218000      1.322000  
1 1 1 2  18 40  o 17.990  0.5872 -0.1629000     1.174000  
1 1 1 2  18 41  o 32.350  0.6313 0.1327000      1.263000  
1 1 1 2  18 42  o 19.020  0.6152 -0.7353000E-01 1.230000  
1 1 1 2  18 43  o 5.0740  1.3170 1.494000       2.635000  
1 1 1 2  18 44  f 18.280  0.6464 1.284000       1.293000  
1 1 1 2  18 45  o 13.180  0.8105 1.025000       1.621000  
1 1 1 2  18 46  o 32.880  0.6667 0.1342000      1.333000  
1 1 1 2  18 47  o 16.030  0.7449 0.4130000      1.490000  
1 1 1 2  18 48  o 13.840  0.8371 -0.5450000     1.674000  
1 1 1 2  18 49  o 18.410  0.7059 -0.5333000     1.412000  
1 1 1 2  18 50  o 18.900  0.7180 1.147000       1.436000  
1 1 1 2  18 51  o 12.380  0.9503 -1.870000      1.901000  
1 1 1 2  18 52  o 15.850  0.8032 -0.9571000     1.606000  
1 1 1 2  18 53  f 12.790  0.9434 1.094000       1.887000  
1 1 1 2  18 54  f 9.8400  1.2560 1.914000       2.512000  
1 1 1 2  18 55  o 12.970  0.9691 -2.010000      1.938000  
1 1 1 2  18 56  o 4.2530  1.3320 0.1686000      2.664000  
1 1 1 2  18 57  o 7.1920  1.4620 -1.668000      2.924000  
1 1 1 2  18 58  o 5.6750  1.4960 -0.5163000     2.993000  
1 1 1 2  18 59  o 12.590  1.0230 0.4605000      2.045000  
1 1 1 2  18 60  o 12.000  1.5350 -3.088000      3.070000  
1 1 1 2  18 61  o 9.8890  1.6280 -3.176000      3.255000  
1 1 1 2  18 62  o 14.210  1.6640 1.248000       3.328000  
1 1 1 2  18 63  o 5.0160  1.6780 0.7093000E-01  3.357000  
1 1 1 2  18 64  o 6.6660  1.9860 0.1529000      3.971000  
1 1 1 2  18 65  o 5.3180  1.7420 -0.9331000E-01 3.485000  
1 1 1 2  18 66  o 5.2900  1.7310 -1.656000      3.462000  
1 1 1 2  18 67  o 8.4950  2.0210 3.651000       4.042000  
1 1 1 2  18 68  o 7.1300  2.0310 -2.349000      4.062000  
1 1 1 2  18 69  o 7.2510  2.0790 -0.5382000     4.157000  
1 1 1 2  18 70  o 5.8360  1.8840 -1.643000      3.768000  
1 1 1 2  18 71  o 7.6720  2.1620 1.157000       4.325000  
1 1 1 2  18 72  o 5.9620  1.9220 0.4168000      3.844000  
1 1 1 2  18 73  o 7.8990  2.1340 3.184000       4.268000  
1 1 1 2  18 74  o 5.7110  1.8630 -1.493000      3.725000  
1 1 1 2  18 75  o 6.0890  1.9340 -1.231000      3.869000  
1 1 1 2  18 76  f 5.8240  1.8900 -0.1072000     3.781000  
1 1 1 2  18 77  o 6.6710  2.0220 1.947000       4.044000  
1 1 1 2  18 78  o 5.9120  1.9150 -0.2479000     3.831000  
1 1 1 2  18 79  o 6.0200  1.9370 1.763000       3.875000  
1 1 1 2  18 80  o 5.4480  1.8180 0.9172000      3.635000  
1 1 1 2  18 81  o 5.9730  1.9320 0.8215000      3.865000  
1 1 1 2  18 82  o 6.0450  1.9130 1.324000       3.826000  
1 1 1 2  18 83  o 3.8420  1.3580 0.3523000      2.716000  
1 1 1 2  18 84  o 4.0290  1.3820 0.5169000      2.764000  
1 1 1 2  18 85  o 3.7450  1.3120 -0.6424000E-01 2.624000  
1 1 1 2  18 86  f 4.5830  1.5930 -0.9037000     3.185000  
1 1 1 2  19 0   o 36.500  0.8843 -0.000000      0.000000  
1 1 1 2  19 1   o 42.180  0.6561 -2.547000      1.312000  
1 1 1 2  19 2   o 44.640  0.6921 -1.309000      1.384000  
1 1 1 2  19 3   o 62.450  0.8739 -0.6584000     1.748000  
1 1 1 2  19 4   o 31.490  0.6224 -2.438000      1.245000  
1 1 1 2  19 5   o 37.650  0.5522 -1.014000      1.104000  
1 1 1 2  19 6   o 18.170  0.5500 -0.3485000     1.100000  
1 1 1 2  19 7   o 30.330  0.5092 0.3779000      1.018000  
1 1 1 2  19 8   o 45.470  0.6491 -1.658000      1.298000  
1 1 1 2  19 9   o 27.050  0.6251 2.228000       1.250000  
1 1 1 2  19 10  o 33.310  0.5046 -1.073000      1.009000  
1 1 1 2  19 11  o 44.370  0.6386 1.656000       1.277000  
1 1 1 2  19 12  o 41.600  0.6043 -0.8651000     1.209000  
1 1 1 2  19 13  o 23.880  0.5537 -7.252000      1.107000  
1 1 1 2  19 14  o 25.130  0.4664 -0.6744000     0.9328000 
1 1 1 2  19 15  o 41.320  0.5989 -0.5091000     1.198000  
1 1 1 2  19 16  o 20.320  0.4408 -2.484000      0.8816000 
1 1 1 2  19 17  o 20.520  0.4066 0.8897000      0.8132000 
1 1 1 2  19 18  o 34.010  0.5128 0.7711000      1.026000  
1 1 1 2  19 19  o 16.250  0.4494 -0.8007000     0.8987000 
1 1 1 2  19 20  o 11.220  0.8464 -6.564000      1.693000  
1 1 1 2  19 21  o 48.830  0.6975 -0.3598000     1.395000  
1 1 1 2  19 22  o 27.920  0.5075 -1.521000      1.015000  
1 1 1 2  19 23  o 42.280  0.6149 0.4724000      1.230000  
1 1 1 2  19 24  o 33.220  0.5134 0.6503000      1.027000  
1 1 1 2  19 25  o 21.100  0.5085 -1.965000      1.017000  
1 1 1 2  19 26  o 24.370  0.4489 -1.160000      0.8978000 
1 1 1 2  19 27  o 42.780  0.6258 0.2712000      1.252000  
1 1 1 2  19 28  o 49.080  0.7057 -0.8113000E-01 1.411000  
1 1 1 2  19 29  o 36.390  0.5557 0.1452000      1.111000  
1 1 1 2  19 30  o 21.520  0.4527 -0.6388000     0.9053000 
1 1 1 2  19 31  o 37.620  0.5688 -0.5334000     1.138000  
1 1 1 2  19 32  o 19.610  0.5279 -0.8527000     1.056000  
1 1 1 2  19 33  o 30.420  0.5496 0.2255000      1.099000  
1 1 1 2  19 34  o 32.840  0.6244 -0.4790000     1.249000  
1 1 1 2  19 35  o 34.980  0.6495 -1.566000      1.299000  
1 1 1 2  19 36  o 8.2000  1.1360 0.3877000      2.273000  
1 1 1 2  19 37  o 41.130  0.7234 -0.2022000     1.447000  
1 1 1 2  19 38  o 15.320  0.6587 0.8974000E-01  1.317000  
1 1 1 2  19 39  o 16.220  0.6533 0.3939000      1.307000  
1 1 1 2  19 40  o 13.360  0.7692 -0.5063000     1.538000  
1 1 1 2  19 41  o 7.8500  1.2450 -0.2947000     2.490000  
1 1 1 2  19 42  o 6.4350  1.3770 0.9029000      2.755000  
1 1 1 2  19 43  o 14.010  0.7694 1.073000       1.539000  
1 1 1 2  19 44  o 5.5770  1.3740 0.9039000      2.749000  
1 1 1 2  19 45  o 4.6400  1.3220 0.1571000      2.644000  
1 1 1 2  19 46  o 5.3550  1.3870 -0.4421000     2.775000  
1 1 1 2  19 47  o 9.8960  1.0700 -1.663000      2.140000  
1 1 1 2  19 48  o 23.760  0.6453 0.9663000      1.291000  
1 1 1 2  19 49  o 11.060  0.9717 0.7358000      1.943000  
1 1 1 2  19 50  o 14.620  0.7878 -0.2567000     1.576000  
1 1 1 2  19 51  o 14.910  0.8184 -1.693000      1.637000  
1 1 1 2  19 52  o 8.6220  1.2870 -0.1465000     2.575000  
1 1 1 2  19 53  o 19.410  0.7081 1.082000       1.416000  
1 1 1 2  19 54  o 5.0110  1.4310 -1.004000      2.862000  
1 1 1 2  19 55  o 5.8400  1.4660 -0.4311000     2.931000  
1 1 1 2  19 56  o 5.2430  1.4450 0.7018000      2.890000  
1 1 1 2  19 57  f 10.680  1.1640 1.698000       2.328000  
1 1 1 2  19 58  o 7.4210  1.4980 -0.8510000     2.996000  
1 1 1 2  19 59  o 5.1360  1.4510 -0.4255000     2.902000  
1 1 1 2  19 60  o 8.3870  1.4430 0.3534000      2.885000  
1 1 1 2  19 61  o 10.140  1.2930 1.027000       2.585000  
1 1 1 2  19 62  o 13.820  0.9756 1.634000       1.951000  
1 1 1 2  19 63  o 10.590  1.1430 0.2860000      2.286000  
1 1 1 2  19 64  o 11.850  1.6120 -3.553000      3.223000  
1 1 1 2  19 65  o 4.8290  1.5380 0.1675000      3.075000  
1 1 1 2  19 66  o 5.3320  1.6300 1.435000       3.261000  
1 1 1 2  19 67  o 7.2120  2.0120 0.6005000      4.023000  
1 1 1 2  19 68  o 6.6420  1.9730 -0.6125000     3.946000  
1 1 1 2  19 69  o 5.2400  1.7220 0.3609000      3.445000  
1 1 1 2  19 70  o 7.1330  2.0410 0.1210000      4.082000  
1 1 1 2  19 71  o 5.8240  1.8470 -1.283000      3.694000  
1 1 1 2  19 72  o 6.0430  1.8750 2.129000       3.750000  
1 1 1 2  19 73  o 5.3280  1.7710 -1.126000      3.542000  
1 1 1 2  19 74  o 6.3860  1.9710 0.9868000      3.942000  
1 1 1 2  19 75  o 5.6840  1.8040 3.232000       3.608000  
1 1 1 2  19 76  o 4.5660  1.5900 -0.2251000     3.179000  
1 1 1 2  19 77  o 5.6890  1.8720 1.087000       3.744000  
1 1 1 2  19 78  o 5.8890  1.9120 0.6236000      3.824000  
1 1 1 2  19 79  o 5.3440  1.7780 0.6621000      3.555000  
1 1 1 2  19 80  o 5.6130  1.8320 -0.4804000     3.664000  
1 1 1 2  19 81  o 4.2730  1.4820 -0.1428000     2.963000  
1 1 1 2  19 82  f 4.1420  1.4070 0.3551000E-01  2.814000  
1 1 1 2  19 83  o 4.2020  1.4000 -0.1408000     2.800000  
1 1 1 2  19 84  o 4.1600  1.4800 0.9546000      2.960000  
1 1 1 2  20 0   o 71.000  1.3940 0.000000       0.000000  
1 1 1 2  20 1   o 34.850  0.6725 -1.106000      1.345000  
1 1 1 2  20 2   o 55.090  0.7739 0.3068000      1.548000  
1 1 1 2  20 3   o 23.470  0.5903 -1.448000      1.181000  
1 1 1 2  20 4   o 29.630  0.6111 -6.799000      1.222000  
1 1 1 2  20 5   o 53.900  0.7591 0.2157000      1.518000  
1 1 1 2  20 6   o 20.960  0.5293 -7.799000      1.059000  
1 1 1 2  20 7   o 9.8580  0.6111 -1.576000      1.222000  
1 1 1 2  20 8   o 20.800  0.4013 -1.011000      0.8026000 
1 1 1 2  20 9   o 14.890  0.6827 10.47000       1.365000  
1 1 1 2  20 10  o 47.860  0.6807 -0.3307000     1.361000  
1 1 1 2  20 11  o 16.450  0.6636 ?              ?         
1 1 1 2  20 12  o 20.160  0.5216 0.7498000      1.043000  
1 1 1 2  20 13  o 37.900  0.5581 0.3635000      1.116000  
1 1 1 2  20 14  o 41.540  0.6049 0.4710000      1.210000  
1 1 1 2  20 15  o 36.130  0.5877 -1.065000      1.175000  
1 1 1 2  20 16  o 26.560  0.4505 -1.745000      0.9010000 
1 1 1 2  20 17  o 32.600  0.5009 1.316000       1.002000  
1 1 1 2  20 18  f 32.400  0.5419 0.7282000      1.084000  
1 1 1 2  20 19  o 45.040  0.6491 -0.5814000E-02 1.298000  
1 1 1 2  20 20  o 26.940  0.5236 0.3876000      1.047000  
1 1 1 2  20 21  o 28.470  0.4702 0.4872000      0.9404000 
1 1 1 2  20 22  o 29.340  0.4769 0.8732000      0.9537000 
1 1 1 2  20 23  o 15.680  0.6225 -3.964000      1.245000  
1 1 1 2  20 24  o 25.760  0.4538 -0.7002000     0.9075000 
1 1 1 2  20 25  o 25.810  0.4548 -0.1091000     0.9096000 
1 1 1 2  20 26  o 22.950  0.4512 0.4025000      0.9025000 
1 1 1 2  20 27  o 13.840  0.5834 -2.263000      1.167000  
1 1 1 2  20 28  o 30.770  0.5069 -0.4193000     1.014000  
1 1 1 2  20 29  o 32.950  0.5248 -0.2948000     1.050000  
1 1 1 2  20 30  f 20.880  0.5185 -0.9227000     1.037000  
1 1 1 2  20 31  o 26.020  0.4772 -0.9997000     0.9543000 
1 1 1 2  20 32  o 18.600  0.4739 0.9114000      0.9479000 
1 1 1 2  20 33  o 7.0550  0.9900 2.027000       1.980000  
1 1 1 2  20 34  o 11.810  0.7146 0.3296000      1.429000  
1 1 1 2  20 35  o 10.910  0.8446 -2.374000      1.689000  
1 1 1 2  20 36  o 3.3910  1.0980 -1.118000      2.196000  
1 1 1 2  20 37  o 8.5910  1.1770 -2.862000      2.354000  
1 1 1 2  20 38  o 39.420  0.7137 -0.7157000     1.427000  
1 1 1 2  20 39  f 21.480  0.6161 0.3887000      1.232000  
1 1 1 2  20 40  o 22.400  0.6015 -1.557000      1.203000  
1 1 1 2  20 41  o 8.5890  1.2000 -0.5073000     2.401000  
1 1 1 2  20 42  o 14.560  0.7645 -0.9094000E-01 1.529000  
1 1 1 2  20 43  o 9.1160  1.1780 -1.607000      2.355000  
1 1 1 2  20 44  o 21.490  0.6586 0.8142000      1.317000  
1 1 1 2  20 45  o 22.150  0.6440 0.1890000      1.288000  
1 1 1 2  20 46  o 6.2570  1.3580 3.436000       2.716000  
1 1 1 2  20 47  o 23.740  0.6573 -1.261000      1.315000  
1 1 1 2  20 48  o 6.3980  1.4850 0.9595000E-01  2.971000  
1 1 1 2  20 49  o 6.4150  1.5120 0.8122000      3.024000  
1 1 1 2  20 50  o 21.080  0.6940 0.2551000      1.388000  
1 1 1 2  20 51  o 9.2930  1.2990 3.319000       2.599000  
1 1 1 2  20 52  o 13.240  0.9286 0.7241000      1.857000  
1 1 1 2  20 53  f 7.7730  1.4560 0.4181000E-01  2.912000  
1 1 1 2  20 54  o 6.7670  1.5150 0.7918000      3.030000  
1 1 1 2  20 55  o 9.6150  1.3080 -2.895000      2.615000  
1 1 1 2  20 56  o 6.2470  1.4960 0.5111000      2.992000  
1 1 1 2  20 57  o 7.2440  1.4710 -0.9431000     2.943000  
1 1 1 2  20 58  o 11.040  1.1450 -0.8065000     2.289000  
1 1 1 2  20 59  o 4.9810  1.4150 -0.3615000     2.830000  
1 1 1 2  20 60  o 5.2340  1.4540 1.329000       2.908000  
1 1 1 2  20 61  o 12.840  0.9851 -0.5997000     1.970000  
1 1 1 2  20 62  f 12.930  0.9941 -1.047000      1.988000  
1 1 1 2  20 63  o 5.7630  1.5220 -0.6013000     3.045000  
1 1 1 2  20 64  o 6.5020  1.5210 -1.553000      3.041000  
1 1 1 2  20 65  o 4.9500  1.4220 -1.052000      2.844000  
1 1 1 2  20 66  o 4.1020  1.3170 0.6446000E-01  2.634000  
1 1 1 2  20 67  o 5.0570  1.4710 0.3448000      2.943000  
1 1 1 2  20 68  o 4.0090  1.2850 -0.2222000     2.569000  
1 1 1 2  20 69  o 5.3330  1.5000 0.5055000      3.001000  
1 1 1 2  20 70  o 5.5160  1.6630 0.5767000E-01  3.326000  
1 1 1 2  20 71  o 5.6860  1.6760 0.6087000      3.352000  
1 1 1 2  20 72  o 6.0390  1.8950 -2.337000      3.789000  
1 1 1 2  20 73  o 6.2200  1.9660 0.3102000      3.932000  
1 1 1 2  20 74  o 5.5300  1.8380 -0.3247000     3.675000  
1 1 1 2  20 75  o 5.5080  1.8310 -0.3139000     3.662000  
1 1 1 2  20 76  o 5.7560  1.8740 0.5446000      3.748000  
1 1 1 2  20 77  o 4.3030  1.5020 -0.5082000     3.004000  
1 1 1 2  20 78  o 4.7630  1.6250 -0.7075000     3.249000  
1 1 1 2  20 79  o 4.7790  1.5950 0.1283000      3.191000  
1 1 1 2  20 80  o 4.2670  1.4300 0.3614000      2.859000  
1 1 1 2  20 81  o 4.0800  1.3750 0.6939000      2.750000  
1 1 1 2  20 82  o 3.2220  1.1720 0.2554000      2.344000  
1 1 1 2  21 0   o 14.600  0.7225 0.000000       0.000000  
1 1 1 2  21 1   o 24.840  0.4257 1.518000       0.8514000 
1 1 1 2  21 2   o 18.510  0.4336 -0.2796000     0.8672000 
1 1 1 2  21 3   o 29.150  0.6022 0.2768000      1.204000  
1 1 1 2  21 4   o 49.570  0.7667 -0.9556000E-01 1.533000  
1 1 1 2  21 5   o 48.130  0.8403 -1.342000      1.681000  
1 1 1 2  21 6   o 25.030  0.6275 -8.364000      1.255000  
1 1 1 2  21 7   o 11.310  0.6369 -6.997000      1.274000  
1 1 1 2  21 8   o 21.610  0.4115 -0.1343000     0.8230000 
1 1 1 2  21 9   o 19.700  0.5131 2.476000       1.026000  
1 1 1 2  21 10  o 31.200  0.5275 -0.3124000     1.055000  
1 1 1 2  21 11  o 31.130  0.5274 3.262000       1.055000  
1 1 1 2  21 12  o 34.990  0.5301 1.209000       1.060000  
1 1 1 2  21 13  o 24.770  0.5168 -6.274000      1.034000  
1 1 1 2  21 14  o 34.990  0.5311 1.092000       1.062000  
1 1 1 2  21 15  o 29.120  0.5485 -6.036000      1.097000  
1 1 1 2  21 16  o 26.010  0.4503 -0.1451000     0.9006000 
1 1 1 2  21 17  o 20.680  0.4292 0.3383000      0.8584000 
1 1 1 2  21 18  o 20.410  0.5058 0.4848000E-01  1.012000  
1 1 1 2  21 19  o 25.470  0.4498 0.5588000      0.8997000 
1 1 1 2  21 20  o 19.500  0.4778 0.5122000      0.9555000 
1 1 1 2  21 21  o 26.600  0.4578 0.1393000E-01  0.9156000 
1 1 1 2  21 22  o 18.300  0.4966 -1.035000      0.9933000 
1 1 1 2  21 23  o 16.730  0.4610 -0.1631000E-01 0.9220000 
1 1 1 2  21 24  o 10.870  0.6256 0.6098000      1.251000  
1 1 1 2  21 25  f 28.150  0.4833 -1.142000      0.9666000 
1 1 1 2  21 26  o 29.490  0.5388 -1.844000      1.078000  
1 1 1 2  21 27  o 30.820  0.5096 -0.7006000E-01 1.019000  
1 1 1 2  21 28  o 17.020  0.6205 -0.5782000     1.241000  
1 1 1 2  21 29  o 36.460  0.5651 -0.2563000     1.130000  
1 1 1 2  21 30  o 7.6050  1.0680 -5.813000      2.135000  
1 1 1 2  21 31  o 13.570  0.5709 0.2128000      1.142000  
1 1 1 2  21 32  o 28.980  0.5075 0.5397000E-01  1.015000  
1 1 1 2  21 33  o 28.820  0.5127 0.4169000E-01  1.025000  
1 1 1 2  21 34  o 34.870  0.5599 -0.3321000     1.120000  
1 1 1 2  21 35  o 6.8360  1.2140 0.8253000      2.429000  
1 1 1 2  21 36  o 5.7200  1.3260 -1.748000      2.652000  
1 1 1 2  21 37  o 4.6760  1.3080 0.5737000      2.617000  
1 1 1 2  21 38  o 21.080  0.6243 0.7140000      1.249000  
1 1 1 2  21 39  o 12.880  0.8546 0.5886000      1.709000  
1 1 1 2  21 40  o 33.770  0.6678 -0.3513000     1.336000  
1 1 1 2  21 41  o 18.490  0.6575 -1.730000      1.315000  
1 1 1 2  21 42  o 25.370  0.6225 -1.182000      1.245000  
1 1 1 2  21 43  o 21.450  0.6330 -0.9296000     1.266000  
1 1 1 2  21 44  o 15.550  0.7678 -0.7205000     1.536000  
1 1 1 2  21 45  f 16.830  0.7298 -0.2242000     1.460000  
1 1 1 2  21 46  o 7.1970  1.4030 -1.206000      2.807000  
1 1 1 2  21 47  o 7.1570  1.4300 1.621000       2.861000  
1 1 1 2  21 48  o 5.5180  1.4180 1.335000       2.836000  
1 1 1 2  21 49  o 9.1510  1.2210 -1.082000      2.442000  
1 1 1 2  21 50  o 12.750  0.9191 -1.205000      1.838000  
1 1 1 2  21 51  o 8.6850  1.2880 -0.6191000     2.576000  
1 1 1 2  21 52  o 11.720  0.9781 -1.444000      1.956000  
1 1 1 2  21 53  o 4.8760  1.3600 -1.147000      2.720000  
1 1 1 2  21 54  o 13.370  0.8862 0.5204000      1.772000  
1 1 1 2  21 55  o 5.3520  1.4630 -0.8637000E-01 2.926000  
1 1 1 2  21 56  o 6.4470  1.4710 2.503000       2.941000  
1 1 1 2  21 57  o 7.8370  1.3800 4.136000       2.760000  
1 1 1 2  21 58  o 10.960  1.1590 -3.000000      2.318000  
1 1 1 2  21 59  o 4.0380  1.2870 -0.7509000     2.574000  
1 1 1 2  21 60  o 11.140  1.0670 -1.722000      2.134000  
1 1 1 2  21 61  o 5.1120  1.4510 0.2250000      2.902000  
1 1 1 2  21 62  f 8.0210  1.4340 -1.681000      2.868000  
1 1 1 2  21 63  o 4.4870  1.3720 0.7163000      2.744000  
1 1 1 2  21 64  o 4.7250  1.4020 -0.7450000     2.804000  
1 1 1 2  21 65  f 5.5730  1.4660 2.257000       2.931000  
1 1 1 2  21 66  o 5.3220  1.4650 1.596000       2.930000  
1 1 1 2  21 67  o 7.8810  1.4620 1.037000       2.924000  
1 1 1 2  21 68  o 4.5350  1.3990 -0.4361000     2.798000  
1 1 1 2  21 69  o 5.2070  1.4800 -0.5218000     2.959000  
1 1 1 2  21 70  o 4.5000  1.3290 1.607000       2.659000  
1 1 1 2  21 71  o 5.1650  1.4050 -3.016000      2.809000  
1 1 1 2  21 72  o 5.2210  1.4910 0.3040000E-01  2.982000  
1 1 1 2  21 73  o 4.0420  1.2780 1.307000       2.556000  
1 1 1 2  21 74  o 4.3110  1.3470 0.1173000      2.694000  
1 1 1 2  21 75  o 5.7960  1.6410 -0.8492000     3.282000  
1 1 1 2  21 76  o 4.9920  1.5410 0.6582000E-01  3.083000  
1 1 1 2  21 77  o 3.4350  1.1810 0.4192000E-01  2.361000  
1 1 1 2  21 78  o 3.8650  1.3240 0.2652000E-01  2.648000  
1 1 1 2  21 79  o 4.2150  1.4880 0.2662000      2.977000  
1 1 1 2  22 0   o 44.930  0.9171 -0.000000      0.000000  
1 1 1 2  22 1   o 38.420  0.6194 1.303000       1.239000  
1 1 1 2  22 2   o 35.500  0.5788 0.3954000      1.158000  
1 1 1 2  22 3   o 17.020  0.6138 1.153000       1.228000  
1 1 1 2  22 4   o 13.790  0.4811 -2.369000      0.9623000 
1 1 1 2  22 5   o 21.760  0.4917 -0.2971000     0.9835000 
1 1 1 2  22 6   o 32.370  0.5031 0.3734000      1.006000  
1 1 1 2  22 7   o 25.720  0.5703 4.673000       1.141000  
1 1 1 2  22 8   o 25.000  0.5701 5.144000       1.140000  
1 1 1 2  22 9   o 28.220  0.4684 -2.596000      0.9369000 
1 1 1 2  22 10  o 29.100  0.5545 1.778000       1.109000  
1 1 1 2  22 11  f 40.570  0.5969 0.7933000E-01  1.194000  
1 1 1 2  22 12  o 24.100  0.6426 3.883000       1.285000  
1 1 1 2  22 13  o 25.700  0.4533 0.1370000      0.9066000 
1 1 1 2  22 14  o 18.430  0.4937 4.876000       0.9875000 
1 1 1 2  22 15  o 12.990  0.5251 -1.048000      1.050000  
1 1 1 2  22 16  o 20.650  0.5137 1.347000       1.027000  
1 1 1 2  22 17  o 40.220  0.6001 -1.362000      1.200000  
1 1 1 2  22 18  o 51.740  0.7423 -0.1376000     1.485000  
1 1 1 2  22 19  f 32.620  0.6071 7.326000       1.214000  
1 1 1 2  22 20  o 18.990  0.5631 -4.752000      1.126000  
1 1 1 2  22 21  o 21.210  0.4529 0.3256000      0.9057000 
1 1 1 2  22 22  o 30.580  0.5038 -0.4450000     1.008000  
1 1 1 2  22 23  o 16.530  0.5420 0.7499000      1.084000  
1 1 1 2  22 24  o 22.680  0.4655 -0.1751000     0.9310000 
1 1 1 2  22 25  o 14.540  0.5379 -1.044000      1.076000  
1 1 1 2  22 26  f 30.360  0.5091 0.2733000      1.018000  
1 1 1 2  22 27  o 23.810  0.5506 -2.771000      1.101000  
1 1 1 2  22 28  o 21.750  0.4850 -1.633000      0.9700000 
1 1 1 2  22 29  o 13.240  0.6120 -0.9990000     1.224000  
1 1 1 2  22 30  o 7.0310  1.0480 0.1925000E-01  2.096000  
1 1 1 2  22 31  o 17.460  0.5295 -0.8423000E-01 1.059000  
1 1 1 2  22 32  o 21.980  0.4926 -0.2777000     0.9851000 
1 1 1 2  22 33  o 16.240  0.5410 -0.7162000     1.082000  
1 1 1 2  22 34  o 13.220  0.6256 0.8093000E-01  1.251000  
1 1 1 2  22 35  o 22.450  0.5037 -0.6201000E-01 1.007000  
1 1 1 2  22 36  o 6.0430  1.2880 0.3167000      2.576000  
1 1 1 2  22 37  o 16.610  0.6222 0.3851000      1.244000  
1 1 1 2  22 38  o 17.100  0.6758 0.1468000      1.352000  
1 1 1 2  22 39  o 15.350  0.7463 3.399000       1.493000  
1 1 1 2  22 40  o 21.560  0.6365 0.5905000      1.273000  
1 1 1 2  22 41  o 10.850  1.0120 3.389000       2.024000  
1 1 1 2  22 42  o 24.120  0.6245 1.459000       1.249000  
1 1 1 2  22 43  o 12.620  0.8816 -0.8600000     1.763000  
1 1 1 2  22 44  o 8.4490  1.2420 -2.455000      2.483000  
1 1 1 2  22 45  o 12.070  1.3310 5.761000       2.661000  
1 1 1 2  22 46  o 5.5650  1.4400 -0.2079000     2.881000  
1 1 1 2  22 47  o 11.490  0.9640 -0.6773000     1.928000  
1 1 1 2  22 48  o 3.8400  1.2310 0.1022000      2.461000  
1 1 1 2  22 49  o 5.6480  1.4130 1.044000       2.826000  
1 1 1 2  22 50  f 4.1520  1.2860 0.6573000      2.573000  
1 1 1 2  22 51  o 11.190  1.0280 1.782000       2.057000  
1 1 1 2  22 52  o 7.1170  1.5000 -0.2993000     3.000000  
1 1 1 2  22 53  o 10.680  1.1380 0.3758000      2.277000  
1 1 1 2  22 54  o 8.3090  1.4280 -0.6311000     2.855000  
1 1 1 2  22 55  o 5.0080  1.4410 -0.4653000     2.882000  
1 1 1 2  22 56  o 8.2810  1.4130 -0.1461000     2.825000  
1 1 1 2  22 57  o 7.0740  1.5020 -0.2346000     3.003000  
1 1 1 2  22 58  o 12.420  0.9598 -0.8649000     1.920000  
1 1 1 2  22 59  o 8.4290  1.3780 1.734000       2.756000  
1 1 1 2  22 60  o 4.5450  1.3630 0.4047000      2.726000  
1 1 1 2  22 61  o 3.9770  1.2760 0.8143000      2.553000  
1 1 1 2  22 62  o 5.0470  1.4400 -0.4749000     2.880000  
1 1 1 2  22 63  o 3.7810  1.2410 -0.5478000     2.482000  
1 1 1 2  22 64  o 4.1410  1.3240 0.2813000      2.648000  
1 1 1 2  22 65  o 10.370  1.2100 0.5128000      2.419000  
1 1 1 2  22 66  o 8.2250  1.4030 -3.012000      2.806000  
1 1 1 2  22 67  o 4.3030  1.3350 1.164000       2.670000  
1 1 1 2  22 68  o 5.5830  1.5000 0.5976000      3.001000  
1 1 1 2  22 69  o 3.9260  1.2630 -0.4183000     2.526000  
1 1 1 2  22 70  o 6.3690  1.5090 2.134000       3.018000  
1 1 1 2  22 71  o 5.1700  1.4560 1.540000       2.913000  
1 1 1 2  22 72  o 3.6660  1.1980 -0.2516000     2.397000  
1 1 1 2  22 73  o 4.1040  1.3130 0.2881000      2.626000  
1 1 1 2  22 74  o 3.8420  1.2380 -1.614000      2.476000  
1 1 1 2  22 75  o 4.4600  1.3350 -0.9954000     2.670000  
1 1 1 2  22 76  o 4.3850  1.4560 -1.322000      2.913000  
1 1 1 2  22 77  o 3.5410  1.2750 0.3728000      2.549000  
1 1 1 2  23 0   o 27.310  0.6660 -0.000000      0.000000  
1 1 1 2  23 1   o 26.640  0.5033 -0.6787000     1.007000  
1 1 1 2  23 2   o 18.760  0.4817 2.201000       0.9635000 
1 1 1 2  23 3   o 18.140  0.6163 -8.539000      1.233000  
1 1 1 2  23 4   o 44.090  0.6418 -0.4654000     1.284000  
1 1 1 2  23 5   o 30.470  0.5414 -3.638000      1.083000  
1 1 1 2  23 6   o 16.280  0.6295 6.712000       1.259000  
1 1 1 2  23 7   f 36.010  0.5501 -0.2772000     1.100000  
1 1 1 2  23 8   o 13.390  1.0100 -12.42000      2.020000  
1 1 1 2  23 9   o 5.9320  1.0570 -0.6301000     2.113000  
1 1 1 2  23 10  o 13.070  0.5966 -2.702000      1.193000  
1 1 1 2  23 11  o 26.120  0.5027 0.5503000      1.005000  
1 1 1 2  23 12  o 38.850  0.5857 -1.997000      1.171000  
1 1 1 2  23 13  o 36.000  0.6023 2.709000       1.205000  
1 1 1 2  23 14  o 13.330  0.7918 -2.996000      1.584000  
1 1 1 2  23 15  o 8.0210  0.8907 0.2611000      1.781000  
1 1 1 2  23 16  o 25.990  0.4729 1.086000       0.9457000 
1 1 1 2  23 17  o 18.820  0.4610 0.6402000      0.9220000 
1 1 1 2  23 18  o 17.170  0.4891 -0.4246000     0.9782000 
1 1 1 2  23 19  o 19.000  0.4696 -0.9015000     0.9392000 
1 1 1 2  23 20  o 12.530  0.5786 -0.4775000     1.157000  
1 1 1 2  23 21  o 9.9770  0.7215 -0.9920000     1.443000  
1 1 1 2  23 22  o 13.650  0.5571 -1.806000      1.114000  
1 1 1 2  23 23  o 21.050  0.4775 0.3953000      0.9550000 
1 1 1 2  23 24  o 23.930  0.4787 0.6686000      0.9573000 
1 1 1 2  23 25  f 12.120  0.6992 -2.381000      1.398000  
1 1 1 2  23 26  o 15.220  0.5487 -1.445000      1.097000  
1 1 1 2  23 27  o 23.960  0.4853 0.4226000      0.9707000 
1 1 1 2  23 28  o 25.770  0.4954 0.2248000      0.9908000 
1 1 1 2  23 29  o 13.320  0.5982 0.9502000      1.196000  
1 1 1 2  23 30  o 5.6070  1.1830 -2.104000      2.367000  
1 1 1 2  23 31  o 7.8300  0.9727 -0.8041000     1.945000  
1 1 1 2  23 32  o 18.590  0.5116 1.660000       1.023000  
1 1 1 2  23 33  o 14.730  0.5665 -0.7291000     1.133000  
1 1 1 2  23 34  o 7.8560  0.9773 0.3572000      1.955000  
1 1 1 2  23 35  o 6.0350  1.2010 -0.1031000     2.401000  
1 1 1 2  23 36  o 6.1900  1.1220 2.565000       2.243000  
1 1 1 2  23 37  o 7.0950  1.2320 -2.245000      2.463000  
1 1 1 2  23 38  o 18.330  0.6164 0.8079000      1.233000  
1 1 1 2  23 39  o 4.7730  1.3410 1.112000       2.682000  
1 1 1 2  23 40  o 14.780  0.7336 -1.189000      1.467000  
1 1 1 2  23 41  o 13.010  0.8077 -0.6135000     1.615000  
1 1 1 2  23 42  f 10.510  0.9979 0.7015000      1.996000  
1 1 1 2  23 43  o 6.7430  1.3790 -0.9450000     2.758000  
1 1 1 2  23 44  o 9.3060  1.1660 1.486000       2.332000  
1 1 1 2  23 45  o 4.0580  1.2630 -1.144000      2.525000  
1 1 1 2  23 46  o 8.5370  1.2400 1.138000       2.481000  
1 1 1 2  23 47  o 4.4630  1.3190 -0.7274000     2.638000  
1 1 1 2  23 48  o 9.7310  1.1340 -3.228000      2.268000  
1 1 1 2  23 49  o 6.8370  1.4100 0.1666000E-01  2.820000  
1 1 1 2  23 50  o 4.0420  1.2550 0.6637000      2.510000  
1 1 1 2  23 51  o 8.8680  1.2280 -4.190000      2.455000  
1 1 1 2  23 52  o 9.5870  1.1960 -0.4555000     2.391000  
1 1 1 2  23 53  o 4.8480  1.4080 0.5048000      2.815000  
1 1 1 2  23 54  o 6.4470  1.5000 0.9351000      3.001000  
1 1 1 2  23 55  o 4.8530  1.4090 -0.7843000     2.818000  
1 1 1 2  23 56  o 4.7590  1.3950 0.3937000      2.790000  
1 1 1 2  23 57  o 8.2220  1.3520 1.529000       2.704000  
1 1 1 2  23 58  o 5.0590  1.4110 0.3939000E-01  2.822000  
1 1 1 2  23 59  o 9.8820  1.2250 0.8959000      2.451000  
1 1 1 2  23 60  o 4.8350  1.4220 0.2015000      2.844000  
1 1 1 2  23 61  o 4.5740  1.3790 0.3723000      2.758000  
1 1 1 2  23 62  o 7.5880  1.3850 2.710000       2.770000  
1 1 1 2  23 63  o 3.6840  1.2180 0.4301000E-01  2.435000  
1 1 1 2  23 64  o 5.9540  1.4670 0.1304000      2.935000  
1 1 1 2  23 65  o 7.5930  1.4700 -0.4231000     2.940000  
1 1 1 2  23 66  o 3.6330  1.1990 0.2674000      2.398000  
1 1 1 2  23 67  o 6.3430  1.5250 1.262000       3.050000  
1 1 1 2  23 68  o 4.1690  1.3080 0.3005000      2.617000  
1 1 1 2  23 69  o 4.5590  1.3650 0.2936000E-01  2.731000  
1 1 1 2  23 70  o 3.8240  1.2490 0.1332000      2.499000  
1 1 1 2  23 71  o 6.2630  1.4860 1.676000       2.971000  
1 1 1 2  23 72  o 3.6940  1.2030 -1.154000      2.407000  
1 1 1 2  23 73  o 3.6750  1.2170 -0.6930000     2.435000  
1 1 1 2  23 74  o 3.8950  1.3820 -0.1620000     2.763000  
1 1 1 2  24 0   o 7.4770  1.3560 -0.000000      0.000000  
1 1 1 2  24 1   o 7.3010  0.9100 0.8209000      1.820000  
1 1 1 2  24 2   o 12.180  0.8371 4.051000       1.674000  
1 1 1 2  24 3   f 27.470  0.4738 1.194000       0.9477000 
1 1 1 2  24 4   o 26.580  0.5541 -2.246000      1.108000  
1 1 1 2  24 5   o 28.090  0.4771 -1.290000      0.9542000 
1 1 1 2  24 6   o 22.190  0.4902 2.337000       0.9804000 
1 1 1 2  24 7   o 12.340  0.6130 -2.035000      1.226000  
1 1 1 2  24 8   o 13.770  0.6344 -3.440000      1.269000  
1 1 1 2  24 9   o 22.510  0.5899 -2.811000      1.180000  
1 1 1 2  24 10  o 40.590  0.6080 0.4364000      1.216000  
1 1 1 2  24 11  o 25.590  0.7081 12.79000       1.416000  
1 1 1 2  24 12  o 15.620  0.5046 -1.588000      1.009000  
1 1 1 2  24 13  o 14.100  0.5501 1.093000       1.100000  
1 1 1 2  24 14  o 20.160  0.4663 -0.4277000     0.9326000 
1 1 1 2  24 15  o 30.970  0.5114 -0.3160000     1.023000  
1 1 1 2  24 16  o 26.570  0.4840 0.1266000      0.9680000 
1 1 1 2  24 17  o 22.100  0.5377 1.842000       1.075000  
1 1 1 2  24 18  o 20.710  0.5237 3.538000       1.047000  
1 1 1 2  24 19  o 23.560  0.4719 -1.217000      0.9439000 
1 1 1 2  24 20  o 15.570  0.6018 3.558000       1.204000  
1 1 1 2  24 21  o 26.520  0.4830 0.7382000E-01  0.9659000 
1 1 1 2  24 22  o 23.960  0.4816 -0.6076000     0.9632000 
1 1 1 2  24 23  o 9.0590  0.9634 -4.309000      1.927000  
1 1 1 2  24 24  o 12.220  0.6406 2.211000       1.281000  
1 1 1 2  24 25  o 22.700  0.4862 0.6807000E-01  0.9724000 
1 1 1 2  24 26  o 12.270  0.6323 0.2606000      1.265000  
1 1 1 2  24 27  o 13.650  0.5869 -0.7701000     1.174000  
1 1 1 2  24 28  f 12.130  0.6762 -1.601000      1.352000  
1 1 1 2  24 29  o 15.410  0.5669 -0.1075000     1.134000  
1 1 1 2  24 30  o 19.400  0.5206 0.5057000      1.041000  
1 1 1 2  24 31  o 20.690  0.4980 -0.5119000     0.9960000 
1 1 1 2  24 32  o 6.2230  1.1960 -1.290000      2.392000  
1 1 1 2  24 33  o 20.210  0.5098 0.8707000E-01  1.020000  
1 1 1 2  24 34  o 7.5620  1.0350 -0.7011000     2.069000  
1 1 1 2  24 35  o 8.6740  0.9028 -1.005000      1.806000  
1 1 1 2  24 36  o 6.2730  1.1510 2.435000       2.301000  
1 1 1 2  24 37  o 13.500  0.5984 -0.4607000     1.197000  
1 1 1 2  24 38  o 8.2080  1.1120 -1.292000      2.224000  
1 1 1 2  24 39  o 4.2870  1.2210 0.3744000      2.442000  
1 1 1 2  24 40  o 12.960  0.8121 0.3222000      1.624000  
1 1 1 2  24 41  o 14.260  0.7809 0.6921000      1.562000  
1 1 1 2  24 42  o 7.9910  1.2980 1.531000       2.596000  
1 1 1 2  24 43  o 8.4310  1.2340 1.616000       2.468000  
1 1 1 2  24 44  o 5.0600  1.3880 0.3399000      2.776000  
1 1 1 2  24 45  o 12.140  0.9131 -1.237000      1.826000  
1 1 1 2  24 46  o 9.0880  1.1890 -0.4597000     2.379000  
1 1 1 2  24 47  o 10.100  1.1010 1.430000       2.201000  
1 1 1 2  24 48  f 4.7690  1.3510 -1.205000      2.702000  
1 1 1 2  24 49  o 4.8980  1.3650 -1.103000      2.730000  
1 1 1 2  24 50  o 4.2360  1.2820 -1.466000      2.565000  
1 1 1 2  24 51  f 8.1040  1.3320 -1.170000      2.664000  
1 1 1 2  24 52  o 6.7980  1.4480 0.1424000      2.897000  
1 1 1 2  24 53  o 7.3320  1.4240 -1.489000      2.849000  
1 1 1 2  24 54  o 5.5650  1.3990 -2.694000      2.798000  
1 1 1 2  24 55  o 4.6100  1.3820 0.1878000      2.764000  
1 1 1 2  24 56  o 4.5160  1.3170 -1.902000      2.635000  
1 1 1 2  24 57  o 9.1170  1.2130 0.6120000      2.425000  
1 1 1 2  24 58  o 4.0200  1.2410 1.217000       2.482000  
1 1 1 2  24 59  f 5.0370  1.4190 -0.4207000     2.838000  
1 1 1 2  24 60  o 5.4770  1.4840 -0.7352000E-01 2.967000  
1 1 1 2  24 61  o 4.8110  1.4110 -1.029000      2.822000  
1 1 1 2  24 62  o 4.1510  1.2810 1.072000       2.562000  
1 1 1 2  24 63  o 6.3620  1.5020 0.5525000      3.004000  
1 1 1 2  24 64  o 3.8670  1.2400 -1.398000      2.481000  
1 1 1 2  24 65  o 3.9330  1.2660 0.8103000E-02  2.532000  
1 1 1 2  24 66  f 3.9270  1.2580 -0.8066000     2.515000  
1 1 1 2  24 67  o 3.8840  1.2450 -0.4374000     2.491000  
1 1 1 2  24 68  o 4.2720  1.3080 0.1859000      2.616000  
1 1 1 2  24 69  f 3.3200  1.1150 -0.5516000E-02 2.229000  
1 1 1 2  24 70  o 4.8940  1.3440 -2.245000      2.688000  
1 1 1 2  24 71  o 3.4320  1.7490 ?              ?         
1 1 1 2  25 0   o 18.760  0.6471 -0.000000      0.000000  
1 1 1 2  25 1   o 17.020  0.5729 -0.9323000     1.146000  
1 1 1 2  25 2   o 13.230  0.5523 -0.9041000     1.105000  
1 1 1 2  25 3   o 15.920  0.5129 0.5130000E-01  1.026000  
1 1 1 2  25 4   o 24.050  0.5396 -0.8423000     1.079000  
1 1 1 2  25 5   o 28.720  0.4909 -0.8047000E-02 0.9819000 
1 1 1 2  25 6   o 20.350  0.5484 -5.986000      1.097000  
1 1 1 2  25 7   o 10.320  0.7853 2.179000       1.571000  
1 1 1 2  25 8   o 13.330  0.5609 -1.443000      1.122000  
1 1 1 2  25 9   o 17.110  0.4910 0.7199000      0.9820000 
1 1 1 2  25 10  f 10.850  0.7693 -5.506000      1.539000  
1 1 1 2  25 11  o 31.440  0.6059 3.951000       1.212000  
1 1 1 2  25 12  o 42.070  0.6305 -1.454000      1.261000  
1 1 1 2  25 13  o 26.540  0.6350 -9.580000      1.270000  
1 1 1 2  25 14  o 23.990  0.4694 -0.2607000     0.9388000 
1 1 1 2  25 15  f 25.190  0.4848 -0.2626000     0.9695000 
1 1 1 2  25 16  o 14.070  0.6704 -2.205000      1.341000  
1 1 1 2  25 17  o 15.070  0.5369 1.555000       1.074000  
1 1 1 2  25 18  o 7.8310  0.9199 1.929000       1.840000  
1 1 1 2  25 19  o 7.6940  1.0220 1.293000       2.044000  
1 1 1 2  25 20  o 24.660  0.4830 -0.2939000     0.9661000 
1 1 1 2  25 21  o 26.390  0.4982 0.5916000      0.9965000 
1 1 1 2  25 22  o 17.720  0.5254 -4.550000      1.051000  
1 1 1 2  25 23  o 10.080  0.7617 0.5309000      1.523000  
1 1 1 2  25 24  o 26.160  0.4965 -1.745000      0.9929000 
1 1 1 2  25 25  o 23.780  0.5014 -0.7440000E-01 1.003000  
1 1 1 2  25 26  o 11.180  0.7691 -1.275000      1.538000  
1 1 1 2  25 27  o 10.650  0.7500 2.132000       1.500000  
1 1 1 2  25 28  o 13.910  0.5729 -0.2815000E-01 1.146000  
1 1 1 2  25 29  o 8.6320  0.8954 0.7708000      1.791000  
1 1 1 2  25 30  o 9.2100  0.8725 0.8591000      1.745000  
1 1 1 2  25 31  o 10.900  0.7028 1.318000       1.406000  
1 1 1 2  25 32  f 7.4000  1.0700 -0.4703000E-02 2.140000  
1 1 1 2  25 33  o 18.370  0.5177 -0.3817000     1.035000  
1 1 1 2  25 34  o 15.520  0.5565 1.388000       1.113000  
1 1 1 2  25 35  o 4.4580  1.1710 -0.6975000     2.342000  
1 1 1 2  25 36  o 3.6680  1.0940 1.224000       2.189000  
1 1 1 2  25 37  o 9.3080  0.8258 0.6180000      1.652000  
1 1 1 2  25 38  o 17.230  0.5368 0.6326000      1.074000  
1 1 1 2  25 39  o 6.6060  1.2850 0.7697000      2.569000  
1 1 1 2  25 40  o 15.030  0.7538 0.8528000E-01  1.508000  
1 1 1 2  25 41  o 7.9850  1.2600 -3.449000      2.520000  
1 1 1 2  25 42  o 16.090  0.7232 -0.2055000     1.446000  
1 1 1 2  25 43  o 5.0770  1.3130 -2.728000      2.627000  
1 1 1 2  25 44  o 3.8870  1.2220 -0.8216000     2.443000  
1 1 1 2  25 45  o 7.9860  1.2730 1.393000       2.547000  
1 1 1 2  25 46  o 4.5840  1.3170 1.316000       2.633000  
1 1 1 2  25 47  o 4.6280  1.3360 1.444000       2.672000  
1 1 1 2  25 48  o 5.1590  1.3640 2.420000       2.729000  
1 1 1 2  25 49  o 10.160  1.0880 -0.2415000     2.176000  
1 1 1 2  25 50  o 5.2560  1.4290 0.7680000      2.858000  
1 1 1 2  25 51  o 9.2970  1.2150 -1.634000      2.429000  
1 1 1 2  25 52  o 4.2660  1.2810 -1.448000      2.561000  
1 1 1 2  25 53  o 4.3490  1.3070 -1.368000      2.615000  
1 1 1 2  25 54  o 6.4550  1.4440 0.5866000      2.889000  
1 1 1 2  25 55  o 6.4250  1.4780 -1.428000      2.956000  
1 1 1 2  25 56  o 4.4910  1.3410 1.023000       2.683000  
1 1 1 2  25 57  o 5.6400  1.3890 2.466000       2.778000  
1 1 1 2  25 58  o 5.9060  1.4440 0.1346000      2.888000  
1 1 1 2  25 59  o 5.0750  1.4280 0.3880000      2.855000  
1 1 1 2  25 60  o 4.9210  1.4320 -0.3959000     2.863000  
1 1 1 2  25 61  o 4.3590  1.3160 2.396000       2.632000  
1 1 1 2  25 62  f 5.1780  1.4450 0.1266000      2.889000  
1 1 1 2  25 63  o 4.1480  1.3000 0.9567000      2.600000  
1 1 1 2  25 64  o 3.9560  1.2520 -0.9585000     2.504000  
1 1 1 2  25 65  o 3.9830  1.2620 0.3734000E-01  2.524000  
1 1 1 2  25 66  o 3.8070  1.2220 0.2587000      2.444000  
1 1 1 2  25 67  o 4.3630  1.5040 -0.2431000     3.009000  
1 1 1 2  26 0   f 11.380  0.9108 0.000000       0.000000  
1 1 1 2  26 1   o 15.540  0.5227 -0.9517000     1.045000  
1 1 1 2  26 2   o 13.380  0.5631 -0.3846000     1.126000  
1 1 1 2  26 3   o 15.810  0.5101 -0.5752000     1.020000  
1 1 1 2  26 4   o 14.340  0.6494 4.959000       1.299000  
1 1 1 2  26 5   o 16.290  0.4992 -0.6064000     0.9984000 
1 1 1 2  26 6   o 18.420  0.5213 0.7093000      1.043000  
1 1 1 2  26 7   o 8.9470  0.7847 -0.9655000     1.569000  
1 1 1 2  26 8   o 4.8550  1.1610 -0.5868000E-01 2.321000  
1 1 1 2  26 9   o 5.7400  1.1100 1.894000       2.220000  
1 1 1 2  26 10  o 11.010  0.6617 0.6677000      1.323000  
1 1 1 2  26 11  o 16.430  0.4976 0.6035000      0.9953000 
1 1 1 2  26 12  o 17.820  0.4865 -0.9084000     0.9729000 
1 1 1 2  26 13  o 12.870  0.5949 1.736000       1.190000  
1 1 1 2  26 14  f 7.1610  0.9766 -2.200000      1.953000  
1 1 1 2  26 15  o 9.1730  1.0210 -8.311000      2.042000  
1 1 1 2  26 16  o 19.720  0.4823 -1.856000      0.9647000 
1 1 1 2  26 17  o 17.400  0.5522 1.528000       1.104000  
1 1 1 2  26 18  o 10.270  0.7573 -4.197000      1.515000  
1 1 1 2  26 19  o 12.300  0.6282 -0.5166000     1.256000  
1 1 1 2  26 20  o 21.820  0.4864 0.8803000      0.9728000 
1 1 1 2  26 21  o 27.810  0.5115 -2.250000      1.023000  
1 1 1 2  26 22  o 27.790  0.5091 -0.1391000E-01 1.018000  
1 1 1 2  26 23  o 9.7100  0.9223 -1.396000      1.845000  
1 1 1 2  26 24  o 12.530  0.6495 0.4528000      1.299000  
1 1 1 2  26 25  o 11.050  0.6883 0.7093000      1.377000  
1 1 1 2  26 26  o 11.050  0.7206 0.1491000      1.441000  
1 1 1 2  26 27  o 4.9700  1.1900 0.3641000      2.380000  
1 1 1 2  26 28  o 4.1100  1.1310 0.2289000      2.263000  
1 1 1 2  26 29  o 4.1560  1.1720 -0.2312000     2.344000  
1 1 1 2  26 30  o 15.380  0.5562 -0.7707000     1.112000  
1 1 1 2  26 31  o 5.1920  1.2090 -0.4379000     2.417000  
1 1 1 2  26 32  o 4.2170  1.1740 0.6293000      2.347000  
1 1 1 2  26 33  o 5.2490  1.1960 1.521000       2.391000  
1 1 1 2  26 34  o 18.510  0.5275 -0.1046000     1.055000  
1 1 1 2  26 35  f 11.490  0.6953 -1.043000      1.391000  
1 1 1 2  26 36  f 3.9270  1.1390 1.032000       2.278000  
1 1 1 2  26 37  o 2.9010  0.9665 0.3223000      1.933000  
1 1 1 2  26 38  o 8.2400  0.9169 -2.031000      1.834000  
1 1 1 2  26 39  o 2.9280  0.9718 -0.1046000     1.944000  
1 1 1 2  26 40  o 5.3170  1.2570 0.6812000      2.514000  
1 1 1 2  26 41  o 7.9280  1.2160 -2.468000      2.433000  
1 1 1 2  26 42  o 5.1580  1.3530 -1.092000      2.706000  
1 1 1 2  26 43  o 5.2720  1.3540 -1.252000      2.709000  
1 1 1 2  26 44  o 5.8110  1.3540 1.810000       2.707000  
1 1 1 2  26 45  o 5.6940  1.3950 0.1799000      2.790000  
1 1 1 2  26 46  f 7.3150  1.3450 -1.538000      2.689000  
1 1 1 2  26 47  o 4.5180  1.3080 1.471000       2.616000  
1 1 1 2  26 48  o 7.7950  1.3120 -1.361000      2.625000  
1 1 1 2  26 49  o 5.8010  1.3790 2.491000       2.757000  
1 1 1 2  26 50  o 4.3460  1.3030 -0.6680000     2.606000  
1 1 1 2  26 51  o 9.7080  1.1580 -0.8106000     2.316000  
1 1 1 2  26 52  o 3.7950  1.2220 0.3208000      2.445000  
1 1 1 2  26 53  o 4.7480  1.3690 -0.5753000     2.738000  
1 1 1 2  26 54  o 7.5000  1.4010 0.4749000      2.803000  
1 1 1 2  26 55  f 3.6560  1.1980 -0.5733000     2.395000  
1 1 1 2  26 56  o 3.5880  1.1870 -0.1778000     2.373000  
1 1 1 2  26 57  o 5.0170  1.3640 -2.274000      2.728000  
1 1 1 2  26 58  o 3.0000  1.0350 0.5951000E-01  2.070000  
1 1 1 2  26 59  o 5.6970  1.4110 0.9944000      2.822000  
1 1 1 2  26 60  o 3.0070  1.0360 -0.3840000     2.072000  
1 1 1 2  26 61  o 4.0930  1.2650 1.308000       2.531000  
1 1 1 2  26 62  o 6.6970  1.4290 -1.559000      2.858000  
1 1 1 2  26 63  o 5.0690  1.6680 0.3659000      3.336000  
1 1 1 2  27 0   o 14.440  0.7960 0.000000       0.000000  
1 1 1 2  27 1   o 16.110  0.5123 -0.4622000     1.025000  
1 1 1 2  27 2   f 13.320  0.6612 5.874000       1.322000  
1 1 1 2  27 3   o 21.820  0.4815 -0.2379000     0.9631000 
1 1 1 2  27 4   o 13.030  0.5911 -0.2359000     1.182000  
1 1 1 2  27 5   o 10.400  0.7167 3.263000       1.433000  
1 1 1 2  27 6   o 16.690  0.5186 -0.6033000     1.037000  
1 1 1 2  27 7   o 23.090  0.4832 -0.1575000     0.9664000 
1 1 1 2  27 8   o 16.850  0.7662 -7.629000      1.532000  
1 1 1 2  27 9   o 10.810  0.7255 -3.510000      1.451000  
1 1 1 2  27 10  o 15.070  0.5560 -0.2057000     1.112000  
1 1 1 2  27 11  o 9.0930  0.8042 2.461000       1.608000  
1 1 1 2  27 12  o 15.420  0.5423 0.1871000      1.085000  
1 1 1 2  27 13  o 10.260  0.7673 -3.707000      1.535000  
1 1 1 2  27 14  f 5.8190  1.1400 -1.173000      2.280000  
1 1 1 2  27 15  o 17.560  0.5107 -0.4661000     1.021000  
1 1 1 2  27 16  f 8.9880  1.0160 -6.927000      2.033000  
1 1 1 2  27 17  o 6.3150  1.0860 -2.253000      2.173000  
1 1 1 2  27 18  o 4.3170  1.1560 0.2427000E-01  2.313000  
1 1 1 2  27 19  o 8.3240  0.8813 0.7505000      1.763000  
1 1 1 2  27 20  o 12.470  0.6244 0.3603000      1.249000  
1 1 1 2  27 21  o 7.9390  0.9327 -0.1388000     1.865000  
1 1 1 2  27 22  o 7.8410  0.9804 -1.357000      1.961000  
1 1 1 2  27 23  o 9.1840  0.8163 0.3944000E-01  1.633000  
1 1 1 2  27 24  o 5.7600  1.0910 3.267000       2.181000  
1 1 1 2  27 25  o 7.7070  1.0460 -2.186000      2.092000  
1 1 1 2  27 26  o 4.3790  1.1480 1.251000       2.296000  
1 1 1 2  27 27  o 9.9260  0.7509 0.7569000      1.502000  
1 1 1 2  27 28  o 5.4630  1.1950 -1.777000      2.391000  
1 1 1 2  27 29  o 7.3780  1.0340 -0.5287000     2.069000  
1 1 1 2  27 30  o 5.7260  1.1600 -1.957000      2.321000  
1 1 1 2  27 31  o 18.860  0.5283 -1.227000      1.057000  
1 1 1 2  27 32  o 15.250  0.5765 0.8624000E-01  1.153000  
1 1 1 2  27 33  o 8.2630  0.9635 -0.5199000E-01 1.927000  
1 1 1 2  27 34  o 7.4440  1.0460 0.1360000      2.091000  
1 1 1 2  27 35  o 4.0450  1.1490 0.5310000      2.298000  
1 1 1 2  27 36  f 5.7890  1.1750 -2.364000      2.349000  
1 1 1 2  27 37  o 7.5310  1.0450 0.4119000      2.090000  
1 1 1 2  27 38  o 5.1960  1.1610 -2.344000      2.323000  
1 1 1 2  27 39  o 4.8820  1.2030 -1.873000      2.406000  
1 1 1 2  27 40  o 5.1920  1.1840 -2.252000      2.367000  
1 1 1 2  27 41  o 3.8670  1.1490 1.089000       2.299000  
1 1 1 2  27 42  o 4.7710  1.3340 -1.114000      2.668000  
1 1 1 2  27 43  o 3.5610  1.1640 1.170000       2.328000  
1 1 1 2  27 44  o 6.0060  1.4180 -0.9829000     2.836000  
1 1 1 2  27 45  o 4.2950  1.2670 -1.992000      2.534000  
1 1 1 2  27 46  o 3.7970  1.2040 1.193000       2.409000  
1 1 1 2  27 47  o 4.3110  1.3010 -0.5781000     2.602000  
1 1 1 2  27 48  o 3.8300  1.2260 -0.3864000E-01 2.451000  
1 1 1 2  27 49  o 6.8630  1.4320 -0.3211000     2.864000  
1 1 1 2  27 50  o 5.5110  1.4270 0.7381000      2.855000  
1 1 1 2  27 51  o 6.3290  1.4490 -0.3888000     2.897000  
1 1 1 2  27 52  o 4.3820  1.2870 1.992000       2.574000  
1 1 1 2  27 53  o 4.2680  1.2900 -1.089000      2.579000  
1 1 1 2  27 54  o 4.1270  1.2710 -0.3275000     2.542000  
1 1 1 2  27 55  o 3.4260  1.1280 -0.7456000     2.257000  
1 1 1 2  27 56  o 3.6210  1.1720 0.9244000      2.344000  
1 1 1 2  27 57  o 4.0880  1.2780 -0.3880000E-01 2.556000  
1 1 1 2  27 58  o 3.4450  1.1470 0.5542000      2.295000  
1 1 1 2  28 0   o 6.2650  1.8680 0.000000       0.000000  
1 1 1 2  28 1   o 10.470  0.7234 -0.1488000     1.447000  
1 1 1 2  28 2   o 11.300  0.6747 -0.4940000     1.349000  
1 1 1 2  28 3   o 9.1600  0.8226 0.8507000E-01  1.645000  
1 1 1 2  28 4   o 7.6160  0.9653 -0.2509000     1.931000  
1 1 1 2  28 5   o 8.1720  1.0630 2.917000       2.126000  
1 1 1 2  28 6   o 19.010  0.4984 0.4338000      0.9968000 
1 1 1 2  28 7   o 12.710  0.6148 -2.324000      1.230000  
1 1 1 2  28 8   o 9.7700  0.7657 1.799000       1.531000  
1 1 1 2  28 9   o 14.960  0.5597 0.4715000      1.119000  
1 1 1 2  28 10  o 10.390  0.8098 -1.479000      1.620000  
1 1 1 2  28 11  o 7.9810  0.9474 -0.9517000     1.895000  
1 1 1 2  28 12  o 16.180  0.5291 0.4294000      1.058000  
1 1 1 2  28 13  o 11.300  0.6592 0.3133000E-01  1.318000  
1 1 1 2  28 14  o 14.750  0.5645 0.3068000      1.129000  
1 1 1 2  28 15  o 11.440  0.6886 -0.2140000     1.377000  
1 1 1 2  28 16  o 6.3710  1.1300 0.4157000      2.260000  
1 1 1 2  28 17  o 7.7540  0.9785 -0.8390000     1.957000  
1 1 1 2  28 18  o 10.720  0.7036 0.1544000      1.407000  
1 1 1 2  28 19  o 11.060  0.7099 0.2459000      1.420000  
1 1 1 2  28 20  o 7.0490  1.0690 1.456000       2.139000  
1 1 1 2  28 21  o 5.0650  1.1730 -1.487000      2.346000  
1 1 1 2  28 22  o 12.240  0.6549 -0.6342000     1.310000  
1 1 1 2  28 23  f 12.780  0.6556 0.1565000      1.311000  
1 1 1 2  28 24  o 8.7070  0.8913 -1.984000      1.783000  
1 1 1 2  28 25  o 5.2180  1.1890 -0.4977000     2.379000  
1 1 1 2  28 26  o 7.1020  1.0990 -0.2951000     2.198000  
1 1 1 2  28 27  o 9.6450  0.8254 -1.928000      1.651000  
1 1 1 2  28 28  o 6.7610  1.0770 -2.109000      2.154000  
1 1 1 2  28 29  o 4.0560  1.1180 -1.763000      2.236000  
1 1 1 2  28 30  o 4.0840  1.1540 1.068000       2.308000  
1 1 1 2  28 31  o 6.0050  1.1770 1.958000       2.354000  
1 1 1 2  28 32  o 7.9010  1.0170 -0.4631000     2.035000  
1 1 1 2  28 33  o 3.8160  1.1340 -0.8229000E-01 2.267000  
1 1 1 2  28 34  o 8.2170  0.9673 -2.415000      1.935000  
1 1 1 2  28 35  f 4.8490  1.2150 -1.067000      2.430000  
1 1 1 2  28 36  o 4.1940  1.1410 -1.575000      2.281000  
1 1 1 2  28 37  o 3.0170  0.9860 -0.2046000E-01 1.972000  
1 1 1 2  28 38  o 3.7880  1.1010 1.393000       2.202000  
1 1 1 2  28 39  o 5.4780  1.2250 -0.7817000     2.450000  
1 1 1 2  28 40  o 4.3210  1.2030 -0.5653000     2.405000  
1 1 1 2  28 41  o 11.040  0.7261 -0.2930000     1.452000  
1 1 1 2  28 42  o 3.0420  1.0290 -0.4814000     2.057000  
1 1 1 2  28 43  o 4.7170  1.3570 -0.1734000     2.713000  
1 1 1 2  28 44  o 3.9720  1.2410 -1.190000      2.483000  
1 1 1 2  28 45  o 7.1480  1.2900 3.842000       2.580000  
1 1 1 2  28 46  o 4.9580  1.3770 0.2111000      2.754000  
1 1 1 2  28 47  o 3.9070  1.2300 -0.6293000     2.460000  
1 1 1 2  28 48  o 4.0270  1.2360 -1.435000      2.472000  
1 1 1 2  28 49  f 3.4020  1.1260 -0.7860000     2.251000  
1 1 1 2  28 50  o 3.7630  1.2120 -0.2161000     2.424000  
1 1 1 2  28 51  o 4.4530  1.3120 1.066000       2.624000  
1 1 1 2  28 52  o 3.9340  1.2370 0.2658000      2.475000  
1 1 1 2  28 53  o 5.0430  1.3160 -3.070000      2.632000  
1 1 1 2  28 54  o 3.9930  1.3330 -0.3680000     2.665000  
1 1 1 2  28 55  o 3.8330  1.9170 ?              ?         
1 1 1 2  29 0   f 9.0310  1.1980 0.000000       0.000000  
1 1 1 2  29 1   o 11.140  0.7189 2.735000       1.438000  
1 1 1 2  29 2   f 16.390  0.5104 0.1287000E-01  1.021000  
1 1 1 2  29 3   o 11.130  0.7595 -4.481000      1.519000  
1 1 1 2  29 4   o 12.270  0.6331 -0.2227000     1.266000  
1 1 1 2  29 5   o 13.260  0.5862 0.2107000      1.172000  
1 1 1 2  29 6   o 8.6640  0.8370 -0.1301000     1.674000  
1 1 1 2  29 7   o 4.5750  1.1650 -0.8358000     2.330000  
1 1 1 2  29 8   o 6.8740  1.0570 1.990000       2.114000  
1 1 1 2  29 9   o 6.7120  1.0610 -2.013000      2.122000  
1 1 1 2  29 10  f 10.880  0.6898 -0.1300000     1.380000  
1 1 1 2  29 11  o 9.1440  0.8466 0.9705000      1.693000  
1 1 1 2  29 12  o 11.490  0.6779 -1.256000      1.356000  
1 1 1 2  29 13  o 7.9210  0.9721 -3.127000      1.944000  
1 1 1 2  29 14  f 6.6300  1.0490 4.356000       2.098000  
1 1 1 2  29 15  o 13.130  0.6020 0.5587000      1.204000  
1 1 1 2  29 16  o 7.2070  1.0620 -1.584000      2.125000  
1 1 1 2  29 17  o 6.2350  1.1720 0.8758000      2.344000  
1 1 1 2  29 18  o 10.360  0.7632 -2.000000      1.526000  
1 1 1 2  29 19  o 8.2170  0.9335 -2.020000      1.867000  
1 1 1 2  29 20  o 3.7760  1.0950 -1.724000      2.190000  
1 1 1 2  29 21  o 5.2950  1.1960 -0.9036000     2.392000  
1 1 1 2  29 22  o 10.650  0.7232 -0.6334000     1.446000  
1 1 1 2  29 23  o 7.7900  0.9769 0.3853000      1.954000  
1 1 1 2  29 24  o 11.070  0.7404 1.624000       1.481000  
1 1 1 2  29 25  o 5.0600  1.2120 -0.3989000     2.423000  
1 1 1 2  29 26  o 3.9490  1.0590 -2.607000      2.118000  
1 1 1 2  29 27  o 6.4330  1.0960 3.728000       2.191000  
1 1 1 2  29 28  o 4.4380  1.2030 0.1809000      2.406000  
1 1 1 2  29 29  o 5.4580  1.2040 -1.422000      2.407000  
1 1 1 2  29 30  o 4.6040  1.1730 -1.141000      2.345000  
1 1 1 2  29 31  o 5.2170  1.1480 -2.323000      2.296000  
1 1 1 2  29 32  o 3.4820  1.0580 1.259000       2.115000  
1 1 1 2  29 33  o 4.5300  1.1890 0.6620000      2.378000  
1 1 1 2  29 34  o 3.5760  1.0810 -0.7515000     2.162000  
1 1 1 2  29 35  o 4.3760  1.1370 -1.590000      2.275000  
1 1 1 2  29 36  o 3.4900  1.0650 -0.4549000     2.131000  
1 1 1 2  29 37  o 10.140  0.7459 0.7172000      1.492000  
1 1 1 2  29 38  o 4.0860  1.1690 0.7381000      2.338000  
1 1 1 2  29 39  o 3.6500  1.1180 0.5296000E-01  2.235000  
1 1 1 2  29 40  o 3.8700  1.0990 -1.729000      2.198000  
1 1 1 2  29 41  o 12.820  0.6501 -0.2342000E-01 1.300000  
1 1 1 2  29 42  o 4.7510  1.2610 -2.770000      2.522000  
1 1 1 2  29 43  o 3.6930  1.1580 -0.1080000     2.317000  
1 1 1 2  29 44  o 4.3110  1.2930 0.9207000      2.586000  
1 1 1 2  29 45  o 3.8290  1.2190 -0.2727000     2.439000  
1 1 1 2  29 46  o 3.1630  1.0750 -0.4711000     2.150000  
1 1 1 2  29 47  o 7.3100  1.4110 -1.021000      2.822000  
1 1 1 2  29 48  o 3.8710  1.2330 -1.143000      2.466000  
1 1 1 2  29 49  o 5.0390  1.6820 1.105000       3.365000  
1 1 1 2  29 50  o 3.9280  1.9730 ?              ?         
1 1 1 2  30 0   o 12.170  0.9209 0.000000       0.000000  
1 1 1 2  30 1   o 11.960  0.6596 1.099000       1.319000  
1 1 1 2  30 2   o 13.510  0.5885 0.5041000      1.177000  
1 1 1 2  30 3   o 10.700  0.7251 2.402000       1.450000  
1 1 1 2  30 4   f 7.7190  1.0030 2.551000       2.006000  
1 1 1 2  30 5   o 7.1220  1.0680 1.061000       2.136000  
1 1 1 2  30 6   o 6.7100  1.0840 2.183000       2.169000  
1 1 1 2  30 7   f 8.2790  0.8897 0.5863000      1.779000  
1 1 1 2  30 8   o 8.5750  0.8734 -1.201000      1.747000  
1 1 1 2  30 9   f 7.9620  0.9640 2.257000       1.928000  
1 1 1 2  30 10  o 6.5230  1.1250 0.3438000      2.250000  
1 1 1 2  30 11  o 10.0000 0.7704 0.2601000      1.541000  
1 1 1 2  30 12  o 6.0420  1.1490 -0.6795000     2.297000  
1 1 1 2  30 13  o 4.0490  1.1530 0.9518000      2.306000  
1 1 1 2  30 14  o 6.8020  1.0740 -1.283000      2.148000  
1 1 1 2  30 15  o 3.9880  1.0920 -1.981000      2.184000  
1 1 1 2  30 16  o 8.1670  0.9907 -2.648000      1.981000  
1 1 1 2  30 17  o 14.440  0.6056 -0.6008000     1.211000  
1 1 1 2  30 18  o 12.310  0.7481 2.997000       1.496000  
1 1 1 2  30 19  o 4.6550  1.2040 -0.2394000     2.407000  
1 1 1 2  30 20  o 6.5220  1.1550 -1.625000      2.311000  
1 1 1 2  30 21  o 5.8070  1.1820 2.688000       2.363000  
1 1 1 2  30 22  o 9.5720  0.8368 -0.6680000     1.674000  
1 1 1 2  30 23  o 11.070  0.7245 -0.4716000     1.449000  
1 1 1 2  30 24  o 6.0340  1.2050 -0.8842000E-02 2.411000  
1 1 1 2  30 25  o 3.6560  1.1170 -0.2798000     2.234000  
1 1 1 2  30 26  o 4.3690  1.1790 1.177000       2.358000  
1 1 1 2  30 27  o 6.8150  1.0720 -1.849000      2.143000  
1 1 1 2  30 28  o 4.6450  1.1570 1.774000       2.314000  
1 1 1 2  30 29  o 4.4780  1.1810 -0.2156000     2.361000  
1 1 1 2  30 30  o 4.2550  1.1600 -0.2327000     2.320000  
1 1 1 2  30 31  o 4.8740  1.2070 -0.2166000     2.414000  
1 1 1 2  30 32  o 5.6480  1.1750 -1.434000      2.350000  
1 1 1 2  30 33  o 6.4830  1.1390 1.557000       2.278000  
1 1 1 2  30 34  o 3.7960  1.1120 0.9813000      2.223000  
1 1 1 2  30 35  o 3.6240  1.1010 0.1128000E-01  2.202000  
1 1 1 2  30 36  o 4.6300  1.1840 -1.863000      2.369000  
1 1 1 2  30 37  f 8.1730  1.0410 0.6804000      2.082000  
1 1 1 2  30 38  o 2.9870  0.9878 0.6612000      1.976000  
1 1 1 2  30 39  o 5.4570  1.2340 -0.5936000     2.467000  
1 1 1 2  30 40  o 5.3120  1.2290 1.419000       2.457000  
1 1 1 2  30 41  o 3.1800  1.0360 -0.2486000     2.071000  
1 1 1 2  30 42  o 3.7130  1.2460 -0.6719000E-01 2.491000  
1 1 1 2  30 43  o 3.5600  1.2710 0.2076000E-01  2.543000  
1 1 1 2  30 44  f 3.7900  1.9010 ?              ?         
1 1 1 2  31 0   f 14.070  0.8215 0.000000       0.000000  
1 1 1 2  31 1   o 12.260  0.6451 -0.1783000     1.290000  
1 1 1 2  31 2   o 10.670  0.7707 -1.229000      1.541000  
1 1 1 2  31 3   o 10.330  0.7997 -1.082000      1.599000  
1 1 1 2  31 4   o 11.130  0.7304 -0.9348000     1.461000  
1 1 1 2  31 5   o 8.3150  0.9400 -0.8120000     1.880000  
1 1 1 2  31 6   o 10.050  0.7616 0.7129000E-01  1.523000  
1 1 1 2  31 7   o 7.0900  1.0650 0.4859000      2.130000  
1 1 1 2  31 8   o 7.7190  0.9948 -0.4353000     1.990000  
1 1 1 2  31 9   o 4.5460  1.1880 0.7871000      2.376000  
1 1 1 2  31 10  o 3.9510  1.1510 -0.7529000     2.301000  
1 1 1 2  31 11  o 4.8810  1.2230 -0.2843000     2.445000  
1 1 1 2  31 12  o 5.7470  1.1580 2.790000       2.315000  
1 1 1 2  31 13  o 4.6420  1.1850 -1.266000      2.371000  
1 1 1 2  31 14  o 6.0590  1.1790 -1.050000      2.357000  
1 1 1 2  31 15  o 5.8030  1.1990 0.3183000      2.398000  
1 1 1 2  31 16  o 4.0490  1.1650 -0.2866000     2.330000  
1 1 1 2  31 17  o 6.8880  1.1060 2.108000       2.212000  
1 1 1 2  31 18  o 8.3560  0.9419 0.4507000      1.884000  
1 1 1 2  31 19  o 9.2730  0.8646 -1.207000      1.729000  
1 1 1 2  31 20  o 7.0310  1.1070 -1.726000      2.215000  
1 1 1 2  31 21  o 6.9270  1.1710 -0.2555000     2.342000  
1 1 1 2  31 22  o 10.650  0.7706 0.4599000      1.541000  
1 1 1 2  31 23  o 5.0290  1.2130 1.399000       2.426000  
1 1 1 2  31 24  o 5.8240  1.2020 1.460000       2.404000  
1 1 1 2  31 25  o 4.4230  1.2120 0.2706000      2.424000  
1 1 1 2  31 26  o 6.2130  1.2020 0.9573000      2.405000  
1 1 1 2  31 27  o 4.8420  1.2360 -0.5126000     2.472000  
1 1 1 2  31 28  o 5.1760  1.1850 2.302000       2.371000  
1 1 1 2  31 29  o 6.6630  1.1440 0.6547000      2.288000  
1 1 1 2  31 30  o 4.5320  1.2160 0.6126000      2.432000  
1 1 1 2  31 31  o 4.2870  1.1830 -0.5067000     2.366000  
1 1 1 2  31 32  o 4.2870  1.1870 -0.4376000E-01 2.373000  
1 1 1 2  31 33  o 4.6810  1.2280 0.4844000E-01  2.455000  
1 1 1 2  31 34  o 4.1030  1.2340 1.325000       2.468000  
1 1 1 2  31 35  o 4.9740  1.4460 -1.638000      2.892000  
1 1 1 2  31 36  o 3.4610  1.2420 0.3929000      2.484000  
1 1 1 2  32 0   o 9.0140  1.2840 0.000000       0.000000  
1 1 1 2  32 1   o 10.340  0.7749 0.2209000E-01  1.550000  
1 1 1 2  32 2   o 10.880  0.7648 -0.2022000E-01 1.530000  
1 1 1 2  32 3   o 5.2840  1.2380 1.239000       2.476000  
1 1 1 2  32 4   o 3.5350  1.1010 0.5897000      2.202000  
1 1 1 2  32 5   o 5.9410  1.1430 3.040000       2.287000  
1 1 1 2  32 6   f 6.7400  1.1410 0.3964000      2.283000  
1 1 1 2  32 7   o 7.9760  0.9890 -0.6637000     1.978000  
1 1 1 2  32 8   o 4.9480  1.1900 -1.310000      2.379000  
1 1 1 2  32 9   o 4.3630  1.1880 0.3593000      2.377000  
1 1 1 2  32 10  o 5.4240  1.2290 0.8116000      2.459000  
1 1 1 2  32 11  o 4.8490  1.2150 -1.114000      2.430000  
1 1 1 2  32 12  o 4.7680  1.2090 -1.404000      2.418000  
1 1 1 2  32 13  o 7.8240  1.0600 -0.5053000     2.121000  
1 1 1 2  32 14  o 5.2420  1.2630 0.2925000      2.526000  
1 1 1 2  32 15  o 3.4180  1.0870 0.4162000      2.174000  
1 1 1 2  32 16  o 3.0360  0.9979 1.088000       1.996000  
1 1 1 2  32 17  o 4.2910  1.1700 -1.263000      2.341000  
1 1 1 2  32 18  o 7.4170  1.0700 0.5124000      2.140000  
1 1 1 2  32 19  o 4.2990  1.1920 -0.4229000     2.384000  
1 1 1 2  32 20  o 4.1720  1.1940 -0.3356000     2.389000  
1 1 1 2  32 21  f 3.9250  1.1720 -0.3033000     2.344000  
1 1 1 2  32 22  o 4.6750  1.2170 -1.317000      2.434000  
1 1 1 2  32 23  o 3.2980  1.0560 0.1823000      2.112000  
1 1 1 2  32 24  o 4.8280  1.5270 -2.065000      3.053000  
1 1 1 2  32 25  o 3.5790  1.7890 ?              ?         
1 1 1 3  0  10  o 0.8248  0.5991 -0.000000      0.000000  
1 1 1 3  0  11  o 21.500  0.8765 -0.000000      0.000000  
1 1 1 3  0  12  o 12.700  0.6277 0.000000       0.000000  
1 1 1 3  0  13  o 22.320  0.9137 0.000000       0.000000  
1 1 1 3  1  2   o 42.000  1.1610 ?              ?         
1 1 1 3  1  4   o 1.0770  0.4906 ?              ?         
1 1 1 3  1  5   o 54.030  2.1270 -105.2000      4.255000  
1 1 1 3  1  6   o 16.710  0.6969 -29.36000      1.394000  
1 1 1 3  1  7   o 26.850  1.0710 -50.49000      2.141000  
1 1 1 3  1  8   o 45.390  1.7900 -87.79000      3.580000  
1 1 1 3  1  9   o 72.880  2.3900 -87.49000      4.780000  
1 1 1 3  1  10  o 6.5620  0.4329 1.283000       0.8657000 
1 1 1 3  1  11  o 20.010  0.5815 1.940000       1.163000  
1 1 1 3  1  12  o 72.520  2.0120 3.761000       4.023000  
1 1 1 3  1  13  o 113.800 3.1880 1.974000       6.376000  
1 1 1 3  1  14  o 67.440  1.8670 -0.7740000     3.733000  
1 1 1 3  1  15  o 34.750  0.9718 -0.7014000     1.944000  
1 1 1 3  1  16  o 37.360  1.0440 -0.8779000     2.088000  
1 1 1 3  1  17  o 11.540  0.4953 0.7765000      0.9906000 
1 1 1 3  1  18  o 65.240  1.8070 -0.5287000E-01 3.614000  
1 1 1 3  1  19  f 47.990  1.8860 ?              ?         
1 1 1 3  1  20  o 48.440  1.9040 ?              ?         
1 1 1 3  1  21  o 101.600 3.9930 ?              ?         
1 1 1 3  1  22  o 56.840  2.2350 ?              ?         
1 1 1 3  1  23  o 81.060  3.1820 ?              ?         
1 1 1 3  1  24  o 98.760  3.8890 ?              ?         
1 1 1 3  1  25  f 34.770  1.4070 ?              ?         
1 1 1 3  1  26  o 108.200 4.2890 ?              ?         
1 1 1 3  1  27  f 108.500 4.2980 ?              ?         
1 1 1 3  1  28  o 54.590  2.1620 ?              ?         
1 1 1 3  1  29  o 70.440  2.7840 ?              ?         
1 1 1 3  1  30  o 75.920  3.0030 ?              ?         
1 1 1 3  1  31  o 55.580  2.2140 ?              ?         
1 1 1 3  1  32  o 10.940  1.1430 ?              ?         
1 1 1 3  1  33  o 48.630  1.9530 ?              ?         
1 1 1 3  1  89  o 6.1230  2.9350 ?              ?         
1 1 1 3  1  90  o 9.0290  3.6530 ?              ?         
1 1 1 3  1  91  o 7.0980  3.2800 ?              ?         
1 1 1 3  1  92  o 8.1970  3.5030 ?              ?         
1 1 1 3  1  93  o 5.8810  2.8200 ?              ?         
1 1 1 3  1  94  o 7.4980  3.3230 ?              ?         
1 1 1 3  1  95  o 5.7690  2.7610 ?              ?         
1 1 1 3  1  96  o 5.3470  2.6070 ?              ?         
1 1 1 3  1  97  o 5.5040  2.6960 ?              ?         
1 1 1 3  1  98  o 5.1150  2.5140 ?              ?         
1 1 1 3  1  99  o 4.0750  2.0660 ?              ?         
1 1 1 3  1  100 o 4.6430  2.2710 ?              ?         
1 1 1 3  1  101 f 4.1080  1.9880 ?              ?         
1 1 1 3  2  0   o 43.010  0.9704 -0.000000      0.000000  
1 1 1 3  2  1   o 35.740  0.6958 -0.2032000     1.392000  
1 1 1 3  2  2   f 52.190  0.9245 2.385000       1.849000  
1 1 1 3  2  3   o 18.440  0.3374 -0.2248000     0.6747000 
1 1 1 3  2  4   o 69.790  1.3590 1.392000       2.717000  
1 1 1 3  2  5   o 36.250  0.7080 -1.470000      1.416000  
1 1 1 3  2  6   o 56.430  1.0990 2.412000       2.198000  
1 1 1 3  2  7   o 17.720  0.5183 ?              ?         
1 1 1 3  2  8   o 12.220  0.2930 -0.3043000     0.5859000 
1 1 1 3  2  9   o 32.370  0.6383 1.444000       1.277000  
1 1 1 3  2  10  o 47.230  0.9235 0.9266000      1.847000  
1 1 1 3  2  11  o 54.820  1.3180 1.374000       2.636000  
1 1 1 3  2  12  o 63.140  1.5110 0.6341000E-01  3.023000  
1 1 1 3  2  13  o 92.680  2.2140 -2.878000      4.428000  
1 1 1 3  2  14  o 39.850  0.9568 -1.038000      1.914000  
1 1 1 3  2  15  o 54.670  1.3060 -1.143000      2.612000  
1 1 1 3  2  16  o 28.270  0.6953 -0.7935000     1.391000  
1 1 1 3  2  17  o 101.600 2.8260 0.5260000      5.652000  
1 1 1 3  2  18  o 45.050  1.2540 -0.1320000     2.508000  
1 1 1 3  2  19  o 109.400 3.0380 -0.6226000     6.077000  
1 1 1 3  2  20  o 49.200  1.3690 -0.2522000     2.738000  
1 1 1 3  2  21  o 110.400 3.0830 -0.6560000     6.167000  
1 1 1 3  2  22  f 82.650  2.2980 1.048000       4.595000  
1 1 1 3  2  23  o 4.5190  1.0430 -1.480000      2.086000  
1 1 1 3  2  24  o 51.910  1.4480 -0.5149000     2.897000  
1 1 1 3  2  25  o 33.420  0.9625 -0.5892000E-01 1.925000  
1 1 1 3  2  26  o 89.810  2.5080 0.4750000      5.015000  
1 1 1 3  2  27  o 57.940  2.2850 ?              ?         
1 1 1 3  2  28  o 58.500  2.3150 ?              ?         
1 1 1 3  2  29  o 23.490  1.0560 ?              ?         
1 1 1 3  2  30  o 15.030  0.9647 ?              ?         
1 1 1 3  2  31  o 47.270  1.8960 ?              ?         
1 1 1 3  2  32  o 18.810  1.0280 ?              ?         
1 1 1 3  2  33  o 14.950  0.9906 ?              ?         
1 1 1 3  2  34  o 33.790  1.4180 ?              ?         
1 1 1 3  2  35  o 24.580  1.1520 ?              ?         
1 1 1 3  2  36  o 50.350  2.0310 ?              ?         
1 1 1 3  2  37  o 38.820  1.6100 ?              ?         
1 1 1 3  2  38  o 32.110  1.3860 ?              ?         
1 1 1 3  2  39  o 33.830  1.4590 ?              ?         
1 1 1 3  2  40  o 11.300  1.3690 ?              ?         
1 1 1 3  2  41  o 20.870  1.1810 ?              ?         
1 1 1 3  2  42  o 27.200  1.2710 ?              ?         
1 1 1 3  2  43  o 18.610  1.2080 ?              ?         
1 1 1 3  2  44  f 28.420  1.3420 ?              ?         
1 1 1 3  2  45  o 33.490  1.4690 ?              ?         
1 1 1 3  2  46  o 37.500  1.6200 ?              ?         
1 1 1 3  2  47  o 40.830  1.7420 ?              ?         
1 1 1 3  2  48  o 52.790  2.1740 ?              ?         
1 1 1 3  2  49  o 15.140  1.4790 ?              ?         
1 1 1 3  2  50  o 24.250  1.3520 ?              ?         
1 1 1 3  2  51  o 32.550  1.5220 ?              ?         
1 1 1 3  2  52  o 15.540  1.6630 ?              ?         
1 1 1 3  2  53  o 15.940  1.7200 ?              ?         
1 1 1 3  2  54  o 9.5610  2.5520 ?              ?         
1 1 1 3  2  55  o 33.760  1.6310 ?              ?         
1 1 1 3  2  56  o 15.540  1.7310 ?              ?         
1 1 1 3  2  57  o 26.600  1.5150 ?              ?         
1 1 1 3  2  58  o 7.9930  2.7530 ?              ?         
1 1 1 3  2  59  o 24.700  1.6010 ?              ?         
1 1 1 3  2  60  o 16.300  2.0240 ?              ?         
1 1 1 3  2  61  f 48.630  2.1140 ?              ?         
1 1 1 3  2  62  o 23.120  1.7720 ?              ?         
1 1 1 3  2  63  o 29.670  1.7260 ?              ?         
1 1 1 3  2  64  o 30.630  1.7080 ?              ?         
1 1 1 3  2  65  o 10.060  3.0200 ?              ?         
1 1 1 3  2  66  o 33.710  1.7890 ?              ?         
1 1 1 3  2  67  f 6.7720  2.8600 ?              ?         
1 1 1 3  2  68  o 20.160  2.1070 ?              ?         
1 1 1 3  2  69  o 14.770  2.8520 ?              ?         
1 1 1 3  2  70  o 17.420  2.5630 ?              ?         
1 1 1 3  2  71  o 22.930  2.1260 ?              ?         
1 1 1 3  2  72  o 13.780  3.2040 ?              ?         
1 1 1 3  2  73  o 16.290  2.9870 ?              ?         
1 1 1 3  2  74  o 6.4160  2.9680 ?              ?         
1 1 1 3  2  75  o 12.810  3.4590 ?              ?         
1 1 1 3  2  76  o 13.810  3.4650 ?              ?         
1 1 1 3  2  77  o 12.210  3.6590 ?              ?         
1 1 1 3  2  78  o 8.3510  3.4670 ?              ?         
1 1 1 3  2  79  o 7.4320  3.3090 ?              ?         
1 1 1 3  2  80  o 7.2730  3.3250 ?              ?         
1 1 1 3  2  81  o 11.080  3.9360 ?              ?         
1 1 1 3  2  82  o 12.970  3.9780 ?              ?         
1 1 1 3  2  83  o 8.3140  3.6380 ?              ?         
1 1 1 3  2  84  o 9.6550  3.8610 ?              ?         
1 1 1 3  2  85  o 6.1530  2.9880 ?              ?         
1 1 1 3  2  86  o 7.6630  3.4720 ?              ?         
1 1 1 3  2  87  o 7.0630  3.2460 ?              ?         
1 1 1 3  2  88  f 6.4770  3.0560 ?              ?         
1 1 1 3  2  89  o 6.9180  3.2030 ?              ?         
1 1 1 3  2  90  o 5.5460  2.7510 ?              ?         
1 1 1 3  2  91  o 8.5970  3.7160 ?              ?         
1 1 1 3  2  92  o 6.0420  2.9140 ?              ?         
1 1 1 3  2  93  o 8.7330  3.6500 ?              ?         
1 1 1 3  2  94  f 5.6190  2.7600 ?              ?         
1 1 1 3  2  95  o 5.3090  2.5980 ?              ?         
1 1 1 3  2  96  o 6.3520  2.9780 ?              ?         
1 1 1 3  2  97  o 4.7920  2.3860 ?              ?         
1 1 1 3  2  98  o 5.6590  2.7280 ?              ?         
1 1 1 3  2  99  o 4.8740  2.4180 ?              ?         
1 1 1 3  2  100 o 5.0350  2.4320 ?              ?         
1 1 1 3  2  101 o 4.8440  2.2680 ?              ?         
1 1 1 3  3  0   o 17.680  0.3576 0.000000       0.000000  
1 1 1 3  3  1   o 36.000  0.4960 0.1688000      0.9920000 
1 1 1 3  3  2   f 42.740  0.5877 -0.2056000     1.175000  
1 1 1 3  3  3   o 43.470  0.5977 0.8699000      1.195000  
1 1 1 3  3  4   o 64.560  0.8869 0.4946000      1.774000  
1 1 1 3  3  5   o 71.310  0.9810 -1.417000      1.962000  
1 1 1 3  3  6   o 53.360  0.7918 0.7299000E-01  1.584000  
1 1 1 3  3  7   o 38.190  0.6087 -0.4912000     1.217000  
1 1 1 3  3  8   o 92.220  1.6370 -2.235000      3.274000  
1 1 1 3  3  9   o 62.420  1.1120 0.9798000      2.225000  
1 1 1 3  3  10  o 49.000  0.9569 -0.9645000E-01 1.914000  
1 1 1 3  3  11  o 50.600  0.9879 -0.8246000     1.976000  
1 1 1 3  3  12  o 46.900  0.9174 -0.4986000     1.835000  
1 1 1 3  3  13  o 86.290  1.6820 1.445000       3.364000  
1 1 1 3  3  14  o 92.670  1.8070 0.2660000      3.614000  
1 1 1 3  3  15  o 8.9750  0.4036 1.595000       0.8072000 
1 1 1 3  3  16  o 51.630  1.0120 -0.1615000     2.023000  
1 1 1 3  3  17  o 75.710  1.4750 1.350000       2.951000  
1 1 1 3  3  18  o 36.660  0.7313 -0.3489000     1.463000  
1 1 1 3  3  19  o 130.800 2.5580 -2.475000      5.115000  
1 1 1 3  3  20  o 82.910  1.9900 -0.3769000     3.980000  
1 1 1 3  3  21  o 78.330  1.8810 -0.8618000E-01 3.762000  
1 1 1 3  3  22  o 11.330  0.5569 -1.296000      1.114000  
1 1 1 3  3  23  o 102.100 2.4560 -0.1685000     4.912000  
1 1 1 3  3  24  o 62.750  1.5090 -0.3998000     3.018000  
1 1 1 3  3  25  o 98.660  2.3800 -0.3102000     4.760000  
1 1 1 3  3  26  o 43.420  1.0640 0.7379000      2.127000  
1 1 1 3  3  27  o 63.110  1.5240 -0.3577000     3.048000  
1 1 1 3  3  28  o 64.760  1.5650 0.4644000E-01  3.131000  
1 1 1 3  3  29  o 74.170  1.7970 0.7676000      3.594000  
1 1 1 3  3  30  o 61.630  1.4940 -1.218000      2.988000  
1 1 1 3  3  31  o 28.030  0.7484 -0.8918000     1.497000  
1 1 1 3  3  32  o 28.700  0.7635 -0.4596000     1.527000  
1 1 1 3  3  33  o 53.960  1.3200 -0.4196000E-04 2.639000  
1 1 1 3  3  34  o 30.320  0.8022 -0.3520000     1.604000  
1 1 1 3  3  35  o 36.540  1.0840 -0.4365000     2.169000  
1 1 1 3  3  36  o 18.480  0.8024 0.1175000      1.605000  
1 1 1 3  3  37  o 46.270  1.3380 -0.4759000     2.676000  
1 1 1 3  3  38  o 24.710  0.8680 1.522000       1.736000  
1 1 1 3  3  39  o 25.150  1.2140 ?              ?         
1 1 1 3  3  40  o 7.4050  1.9200 ?              ?         
1 1 1 3  3  41  o 15.120  1.2240 ?              ?         
1 1 1 3  3  42  o 4.1700  1.8250 ?              ?         
1 1 1 3  3  43  f 23.450  1.2050 ?              ?         
1 1 1 3  3  44  o 15.940  1.2940 ?              ?         
1 1 1 3  3  45  o 21.420  1.2660 ?              ?         
1 1 1 3  3  46  o 19.720  1.3320 ?              ?         
1 1 1 3  3  47  o 14.070  1.6230 ?              ?         
1 1 1 3  3  48  o 4.7950  2.0610 ?              ?         
1 1 1 3  3  49  f 41.520  1.7690 ?              ?         
1 1 1 3  3  50  o 37.810  1.6850 ?              ?         
1 1 1 3  3  51  o 28.200  1.4270 ?              ?         
1 1 1 3  3  52  o 19.480  1.5010 ?              ?         
1 1 1 3  3  53  o 10.190  2.4950 ?              ?         
1 1 1 3  3  54  o 12.020  2.0390 ?              ?         
1 1 1 3  3  55  o 27.850  1.5280 ?              ?         
1 1 1 3  3  56  o 23.280  1.5800 ?              ?         
1 1 1 3  3  57  f 43.360  1.9120 ?              ?         
1 1 1 3  3  58  o 12.100  2.6410 ?              ?         
1 1 1 3  3  59  o 49.280  2.1030 ?              ?         
1 1 1 3  3  60  o 48.030  2.0790 ?              ?         
1 1 1 3  3  61  o 12.260  2.8540 ?              ?         
1 1 1 3  3  62  o 30.230  1.7540 ?              ?         
1 1 1 3  3  63  o 18.270  2.1480 ?              ?         
1 1 1 3  3  64  o 36.970  1.8670 ?              ?         
1 1 1 3  3  65  o 21.480  2.0330 ?              ?         
1 1 1 3  3  66  o 11.510  2.9670 ?              ?         
1 1 1 3  3  67  o 7.7530  3.0380 ?              ?         
1 1 1 3  3  68  o 24.310  1.9090 ?              ?         
1 1 1 3  3  69  f 6.5240  2.8820 ?              ?         
1 1 1 3  3  70  o 7.2940  3.0570 ?              ?         
1 1 1 3  3  71  o 7.3120  3.0540 ?              ?         
1 1 1 3  3  72  o 31.950  1.9290 ?              ?         
1 1 1 3  3  73  o 6.9310  3.0550 ?              ?         
1 1 1 3  3  74  o 20.770  2.5910 ?              ?         
1 1 1 3  3  75  o 13.360  3.6510 ?              ?         
1 1 1 3  3  76  o 11.190  3.8380 ?              ?         
1 1 1 3  3  77  o 9.9350  3.7950 ?              ?         
1 1 1 3  3  78  o 15.610  3.5560 ?              ?         
1 1 1 3  3  79  o 8.5740  3.5060 ?              ?         
1 1 1 3  3  80  o 7.5310  3.3070 ?              ?         
1 1 1 3  3  81  o 9.4570  3.6120 ?              ?         
1 1 1 3  3  82  o 8.6550  3.5510 ?              ?         
1 1 1 3  3  83  o 7.5180  2.4010 0.1559000      4.801000  
1 1 1 3  3  84  f 9.2960  2.7040 0.7404000E-01  5.408000  
1 1 1 3  3  85  o 7.9670  2.5070 0.4871000      5.013000  
1 1 1 3  3  86  o 10.820  2.8120 -2.218000      5.624000  
1 1 1 3  3  87  o 7.3110  2.3750 0.5795000      4.749000  
1 1 1 3  3  88  o 7.3370  2.3820 -0.3059000     4.764000  
1 1 1 3  3  89  o 7.0340  2.3180 -2.176000      4.636000  
1 1 1 3  3  90  o 7.6190  2.4570 1.525000       4.914000  
1 1 1 3  3  91  o 7.4360  2.3790 -2.379000      4.758000  
1 1 1 3  3  92  o 5.7890  1.9880 -0.2381000     3.977000  
1 1 1 3  3  93  o 5.4330  1.8920 -0.2312000     3.784000  
1 1 1 3  3  94  o 5.9590  2.0410 -0.8876000     4.082000  
1 1 1 3  3  95  o 5.5910  1.9340 0.6022000      3.868000  
1 1 1 3  3  96  o 5.3380  1.8520 0.4986000      3.704000  
1 1 1 3  3  97  o 4.7740  1.6820 0.2696000      3.364000  
1 1 1 3  3  98  o 4.9050  1.7150 -0.9353000     3.429000  
1 1 1 3  3  99  o 4.5970  1.6210 0.8904000      3.242000  
1 1 1 3  3  100 o 3.4750  1.2540 -0.6158000     2.508000  
1 1 1 3  4  0   f 42.550  0.8287 0.000000       0.000000  
1 1 1 3  4  1   o 48.560  0.6671 0.4712000      1.334000  
1 1 1 3  4  2   o 111.200 1.6520 1.108000       3.305000  
1 1 1 3  4  3   o 51.020  0.7010 -0.1461000E-01 1.402000  
1 1 1 3  4  4   o 30.130  0.4181 -0.3422000     0.8363000 
1 1 1 3  4  5   o 24.810  0.3488 -0.2213000     0.6975000 
1 1 1 3  4  6   o 56.210  0.7722 0.7861000E-01  1.544000  
1 1 1 3  4  7   o 17.020  0.2533 0.3262000E-02  0.5066000 
1 1 1 3  4  8   o 45.170  0.6728 -0.3707000     1.346000  
1 1 1 3  4  9   o 102.100 1.7310 -1.627000      3.461000  
1 1 1 3  4  10  o 45.390  0.8101 0.2322000      1.620000  
1 1 1 3  4  11  o 33.690  0.6086 0.4226000      1.217000  
1 1 1 3  4  12  o 83.850  1.6330 -1.435000      3.266000  
1 1 1 3  4  13  f 83.410  1.6250 -0.4441000     3.250000  
1 1 1 3  4  14  o 57.000  1.1130 -0.2814000E-01 2.226000  
1 1 1 3  4  15  f 24.460  0.5111 0.2598000      1.022000  
1 1 1 3  4  16  o 83.060  1.6180 -1.497000      3.236000  
1 1 1 3  4  17  o 135.500 2.6520 0.4754000      5.304000  
1 1 1 3  4  18  o 78.530  1.5330 0.2432000      3.065000  
1 1 1 3  4  19  o 20.560  0.4690 0.2330000E-01  0.9380000 
1 1 1 3  4  20  o 42.480  0.8428 -0.8474000E-01 1.686000  
1 1 1 3  4  21  o 79.300  1.5480 -0.5392000     3.097000  
1 1 1 3  4  22  o 72.120  1.4100 0.1628000      2.820000  
1 1 1 3  4  23  o 32.910  0.6759 0.4626000      1.352000  
1 1 1 3  4  24  o 81.920  1.6030 0.2608000      3.205000  
1 1 1 3  4  25  o 30.600  0.6405 0.2206000      1.281000  
1 1 1 3  4  26  o 40.110  0.8084 -1.237000      1.617000  
1 1 1 3  4  27  o 76.630  1.5040 -0.1602000     3.008000  
1 1 1 3  4  28  o 37.990  0.9442 0.2808000      1.888000  
1 1 1 3  4  29  o 52.350  1.2790 0.2726000      2.557000  
1 1 1 3  4  30  o 62.430  1.5130 -1.223000      3.026000  
1 1 1 3  4  31  o 55.310  1.3530 -0.1417000     2.706000  
1 1 1 3  4  32  o 62.730  1.5320 0.4074000      3.063000  
1 1 1 3  4  33  o 9.8950  0.8682 -0.5087000E-01 1.736000  
1 1 1 3  4  34  o 33.520  0.8703 0.5924000E-02  1.741000  
1 1 1 3  4  35  o 57.490  1.4160 0.5945000      2.832000  
1 1 1 3  4  36  o 24.950  0.7236 0.9225000E-01  1.447000  
1 1 1 3  4  37  o 12.390  0.7714 0.7017000      1.543000  
1 1 1 3  4  38  o 30.620  0.8263 -0.7198000     1.653000  
1 1 1 3  4  39  o 7.3850  1.2080 -2.080000      2.417000  
1 1 1 3  4  40  o 21.670  0.7410 0.6539000      1.482000  
1 1 1 3  4  41  o 19.530  0.7356 -0.3154000     1.471000  
1 1 1 3  4  42  o 38.190  1.1630 -1.399000      2.327000  
1 1 1 3  4  43  o 20.580  0.9318 -0.7976000     1.864000  
1 1 1 3  4  44  o 11.920  1.2510 0.9041000E-03  2.502000  
1 1 1 3  4  45  o 26.620  0.9815 0.7033000      1.963000  
1 1 1 3  4  46  o 19.360  1.0480 1.051000       2.096000  
1 1 1 3  4  47  o 8.8570  1.6740 2.260000       3.348000  
1 1 1 3  4  48  o 21.940  0.9930 -1.140000      1.986000  
1 1 1 3  4  49  o 7.2320  1.7390 -2.961000      3.477000  
1 1 1 3  4  50  o 14.840  1.2850 0.8080000      2.571000  
1 1 1 3  4  51  o 44.060  1.3540 -0.2120000E-01 2.708000  
1 1 1 3  4  52  o 36.370  1.2210 0.4487000      2.442000  
1 1 1 3  4  53  o 28.330  1.1360 1.195000       2.273000  
1 1 1 3  4  54  o 7.7690  1.8170 -6.343000      3.635000  
1 1 1 3  4  55  f 45.080  1.4200 3.156000       2.840000  
1 1 1 3  4  56  o 6.9610  2.0050 -0.5838000     4.009000  
1 1 1 3  4  57  o 20.160  1.3770 -0.6175000E-01 2.754000  
1 1 1 3  4  58  o 19.140  1.5310 0.6629000      3.062000  
1 1 1 3  4  59  o 7.4750  2.1110 -0.1752000     4.223000  
1 1 1 3  4  60  o 20.310  1.4670 -0.1295000     2.934000  
1 1 1 3  4  61  o 23.070  1.4070 1.580000       2.813000  
1 1 1 3  4  62  o 18.310  1.6520 0.3081000      3.305000  
1 1 1 3  4  63  o 38.200  1.3640 2.681000       2.727000  
1 1 1 3  4  64  o 32.840  1.3390 2.119000       2.678000  
1 1 1 3  4  65  f 8.6850  2.3240 -1.169000      4.649000  
1 1 1 3  4  66  o 9.2030  2.2770 -4.581000      4.554000  
1 1 1 3  4  67  o 7.8880  2.2750 -0.8562000E-01 4.551000  
1 1 1 3  4  68  o 7.8820  2.2840 1.168000       4.568000  
1 1 1 3  4  69  o 21.100  1.6720 2.054000       3.345000  
1 1 1 3  4  70  o 10.900  2.5050 0.2952000      5.011000  
1 1 1 3  4  71  f 15.610  2.1940 -1.688000      4.388000  
1 1 1 3  4  72  f 20.970  1.8200 0.3762000      3.641000  
1 1 1 3  4  73  o 7.6800  2.3710 0.8507000      4.743000  
1 1 1 3  4  74  o 15.170  2.4720 2.249000       4.943000  
1 1 1 3  4  75  o 10.720  2.6650 -2.990000      5.331000  
1 1 1 3  4  76  o 7.6780  2.4070 -1.680000      4.815000  
1 1 1 3  4  77  o 8.8190  2.5910 -0.6026000     5.182000  
1 1 1 3  4  78  o 10.140  2.6920 2.068000       5.384000  
1 1 1 3  4  79  o 14.960  2.7370 -1.962000      5.473000  
1 1 1 3  4  80  o 10.170  2.7030 -3.228000      5.406000  
1 1 1 3  4  81  o 11.180  2.7340 -4.113000      5.468000  
1 1 1 3  4  82  o 7.4300  2.3890 1.060000       4.778000  
1 1 1 3  4  83  o 7.9010  2.5070 0.8490000E-01  5.014000  
1 1 1 3  4  84  o 12.010  2.8020 -5.699000      5.605000  
1 1 1 3  4  85  o 7.8630  2.5050 0.9747000      5.010000  
1 1 1 3  4  86  o 6.1960  2.1270 2.341000       4.254000  
1 1 1 3  4  87  o 5.9090  2.0550 0.8390000      4.110000  
1 1 1 3  4  88  o 8.4790  2.6380 -0.7528000     5.277000  
1 1 1 3  4  89  o 7.4930  2.4540 0.9590000      4.908000  
1 1 1 3  4  90  o 7.3610  2.4290 1.108000       4.858000  
1 1 1 3  4  91  o 7.0510  2.2990 -1.909000      4.599000  
1 1 1 3  4  92  o 7.1690  2.2960 2.597000       4.592000  
1 1 1 3  4  93  o 6.3770  2.1420 0.2574000      4.285000  
1 1 1 3  4  94  o 7.2470  2.3330 -0.5354000     4.666000  
1 1 1 3  4  95  o 5.2420  1.8470 -0.7255000     3.693000  
1 1 1 3  4  96  o 5.4630  1.9180 0.9464000      3.836000  
1 1 1 3  4  97  o 5.2200  1.8270 -0.6579000     3.654000  
1 1 1 3  4  98  o 4.4790  1.6010 0.1591000      3.202000  
1 1 1 3  4  99  o 4.5190  1.5950 -0.3722000     3.190000  
1 1 1 3  4  100 f 4.4800  1.5250 0.6903000      3.050000  
1 1 1 3  5  0   o 117.000 2.2690 -0.000000      0.000000  
1 1 1 3  5  1   o 29.100  0.4055 -0.2927000     0.8109000 
1 1 1 3  5  2   o 23.400  0.3314 -0.2147000     0.6629000 
1 1 1 3  5  3   o 47.890  0.6588 -0.5810000     1.318000  
1 1 1 3  5  4   o 29.040  0.4056 -0.3657000E-01 0.8112000 
1 1 1 3  5  5   o 60.870  0.8362 0.3900000E-01  1.672000  
1 1 1 3  5  6   o 83.590  1.1480 1.015000       2.296000  
1 1 1 3  5  7   f 29.650  0.4161 -0.3790000     0.8323000 
1 1 1 3  5  8   o 47.790  0.6591 0.4961000      1.318000  
1 1 1 3  5  9   o 67.350  0.9251 -0.3702000     1.850000  
1 1 1 3  5  10  o 61.190  0.9094 0.9813000      1.819000  
1 1 1 3  5  11  o 31.650  0.4814 -0.9921000     0.9628000 
1 1 1 3  5  12  o 41.990  0.7519 -0.5098000     1.504000  
1 1 1 3  5  13  o 20.450  0.4009 -0.4863000     0.8018000 
1 1 1 3  5  14  o 84.150  1.4950 0.3098000      2.990000  
1 1 1 3  5  15  o 20.240  0.4511 0.6385000      0.9023000 
1 1 1 3  5  16  o 55.730  1.0910 -0.2390000E-01 2.182000  
1 1 1 3  5  17  o 40.490  0.8037 -0.6674000     1.607000  
1 1 1 3  5  18  o 67.180  1.3130 -0.6802000E-01 2.626000  
1 1 1 3  5  19  o 56.500  1.1080 0.2018000      2.217000  
1 1 1 3  5  20  o 35.440  0.7164 0.3367000      1.433000  
1 1 1 3  5  21  o 93.630  1.8310 0.3504000      3.662000  
1 1 1 3  5  22  o 48.120  0.9525 0.3060000      1.905000  
1 1 1 3  5  23  o 51.350  1.0150 -0.3444000     2.029000  
1 1 1 3  5  24  o 33.430  0.6887 1.013000       1.377000  
1 1 1 3  5  25  o 57.400  1.1310 -0.3737000     2.263000  
1 1 1 3  5  26  o 39.520  0.7978 -0.1995000     1.596000  
1 1 1 3  5  27  o 21.820  0.5207 0.3081000      1.041000  
1 1 1 3  5  28  o 34.690  0.7178 0.3879000E-01  1.436000  
1 1 1 3  5  29  o 12.330  0.5570 0.8861000      1.114000  
1 1 1 3  5  30  o 28.850  0.6299 -0.8631000     1.260000  
1 1 1 3  5  31  o 36.450  0.7553 1.254000       1.511000  
1 1 1 3  5  32  o 15.930  0.5360 0.4684000      1.072000  
1 1 1 3  5  33  o 23.090  0.5689 -0.4580000     1.138000  
1 1 1 3  5  34  o 21.640  0.5698 0.4747000      1.140000  
1 1 1 3  5  35  o 66.080  1.6250 -0.1656000E-01 3.249000  
1 1 1 3  5  36  o 16.420  0.7030 0.3980000      1.406000  
1 1 1 3  5  37  f 36.480  0.9375 -1.025000      1.875000  
1 1 1 3  5  38  o 16.500  0.7382 -0.2184000     1.476000  
1 1 1 3  5  39  o 13.650  0.8341 -1.858000      1.668000  
1 1 1 3  5  40  o 27.020  0.7960 0.1881000E-01  1.592000  
1 1 1 3  5  41  o 18.910  0.7601 -0.9841000     1.520000  
1 1 1 3  5  42  f 21.440  0.7746 -0.4673000E-01 1.549000  
1 1 1 3  5  43  o 19.110  0.7819 -0.3847000     1.564000  
1 1 1 3  5  44  o 17.470  0.8463 -0.4983000     1.693000  
1 1 1 3  5  45  o 4.6010  1.4260 0.9116000      2.853000  
1 1 1 3  5  46  o 29.360  0.8844 -0.9946000     1.769000  
1 1 1 3  5  47  o 16.700  0.9263 -1.547000      1.853000  
1 1 1 3  5  48  o 23.650  0.9992 1.604000       1.998000  
1 1 1 3  5  49  o 40.740  1.2740 -0.1415000     2.548000  
1 1 1 3  5  50  o 23.020  1.0990 -1.282000      2.199000  
1 1 1 3  5  51  o 17.750  1.2370 -0.6175000E-01 2.473000  
1 1 1 3  5  52  o 14.500  1.4350 2.382000       2.870000  
1 1 1 3  5  53  o 11.560  1.8700 -0.8496000     3.740000  
1 1 1 3  5  54  o 35.010  1.2300 -0.9500000     2.459000  
1 1 1 3  5  55  o 21.430  1.3070 -0.3546000     2.615000  
1 1 1 3  5  56  o 43.460  1.3950 0.1746000      2.790000  
1 1 1 3  5  57  o 49.610  1.5440 0.8909000      3.089000  
1 1 1 3  5  58  o 32.100  1.2630 0.6741000      2.527000  
1 1 1 3  5  59  o 26.850  1.3020 1.988000       2.603000  
1 1 1 3  5  60  o 8.4730  2.1800 -0.8915000     4.361000  
1 1 1 3  5  61  o 16.010  1.6940 -2.758000      3.388000  
1 1 1 3  5  62  o 20.100  1.4120 -1.035000      2.824000  
1 1 1 3  5  63  f 16.400  1.6890 -2.229000      3.377000  
1 1 1 3  5  64  o 26.110  1.3800 1.638000       2.759000  
1 1 1 3  5  65  o 20.180  1.6210 2.941000       3.242000  
1 1 1 3  5  66  o 9.5340  2.3370 -0.8848000     4.674000  
1 1 1 3  5  67  o 25.330  1.4280 -2.201000      2.856000  
1 1 1 3  5  68  o 19.630  1.7440 -0.8228000     3.489000  
1 1 1 3  5  69  o 7.7490  2.3040 -1.736000      4.609000  
1 1 1 3  5  70  o 8.6290  2.4180 -0.7986000     4.836000  
1 1 1 3  5  71  o 16.380  2.1500 2.897000       4.299000  
1 1 1 3  5  72  o 20.480  1.8810 3.327000       3.761000  
1 1 1 3  5  73  o 12.430  2.5450 -2.247000      5.090000  
1 1 1 3  5  74  o 8.8730  2.5090 -0.1326000     5.018000  
1 1 1 3  5  75  o 10.610  2.5930 -4.283000      5.186000  
1 1 1 3  5  76  o 11.710  2.6870 -0.2022000     5.375000  
1 1 1 3  5  77  o 12.630  2.6980 -1.313000      5.396000  
1 1 1 3  5  78  o 6.7120  2.2130 -1.029000      4.425000  
1 1 1 3  5  79  o 10.210  2.6580 -1.995000      5.316000  
1 1 1 3  5  80  o 9.3840  2.6310 -2.823000      5.262000  
1 1 1 3  5  81  f 9.4070  2.6690 -2.032000      5.338000  
1 1 1 3  5  82  o 9.6000  2.6550 -5.203000      5.309000  
1 1 1 3  5  83  o 10.240  2.7400 4.192000       5.479000  
1 1 1 3  5  84  o 8.9330  2.7270 0.3732000      5.453000  
1 1 1 3  5  85  o 7.7900  2.5030 -2.548000      5.007000  
1 1 1 3  5  86  o 9.0190  2.7250 2.424000       5.450000  
1 1 1 3  5  87  f 7.6710  2.5050 1.712000       5.010000  
1 1 1 3  5  88  o 6.7470  2.2940 0.7060000      4.587000  
1 1 1 3  5  89  o 7.2140  2.4110 -0.1429000     4.823000  
1 1 1 3  5  90  o 6.9770  2.3400 0.7364000      4.680000  
1 1 1 3  5  91  o 7.9860  2.5100 0.9009000      5.020000  
1 1 1 3  5  92  o 6.0740  2.0570 -0.8751000     4.114000  
1 1 1 3  5  93  o 5.2930  1.8520 -0.2202000E-01 3.703000  
1 1 1 3  5  94  o 5.9450  2.0410 1.577000       4.081000  
1 1 1 3  5  95  o 5.3680  1.8840 0.4726000E-01  3.768000  
1 1 1 3  5  96  o 6.0820  2.0630 -1.520000      4.125000  
1 1 1 3  5  97  o 5.2500  1.8250 -0.5812000     3.650000  
1 1 1 3  5  98  o 4.5780  1.6320 -0.3823000     3.264000  
1 1 1 3  5  99  o 4.1950  1.4910 0.5595000      2.983000  
1 1 1 3  5  100 o 3.6130  1.2810 0.1276000      2.561000  
1 1 1 3  6  0   o 121.000 2.3480 0.000000       0.000000  
1 1 1 3  6  1   o 77.750  1.0670 0.2101000      2.134000  
1 1 1 3  6  2   o 37.800  0.5232 0.3604000E-01  1.046000  
1 1 1 3  6  3   o 56.170  0.7720 1.285000       1.544000  
1 1 1 3  6  4   o 24.480  0.3489 0.3403000      0.6979000 
1 1 1 3  6  5   o 31.950  0.4460 0.5547000      0.8919000 
1 1 1 3  6  6   o 25.710  0.3655 0.5640000      0.7310000 
1 1 1 3  6  7   f 42.740  0.5910 -0.1712000     1.182000  
1 1 1 3  6  8   o 71.440  0.9812 0.6356000      1.962000  
1 1 1 3  6  9   f 16.180  0.2994 -1.455000      0.5987000 
1 1 1 3  6  10  o 96.350  1.3230 0.9202000      2.645000  
1 1 1 3  6  11  o 62.630  0.8620 -0.2281000     1.724000  
1 1 1 3  6  12  o 27.350  0.4238 0.3274000      0.8477000 
1 1 1 3  6  13  o 121.400 1.8090 -2.024000      3.618000  
1 1 1 3  6  14  o 62.300  0.9914 0.2884000      1.983000  
1 1 1 3  6  15  o 44.790  0.8036 -0.6582000     1.607000  
1 1 1 3  6  16  o 50.380  0.9020 -0.3598000     1.804000  
1 1 1 3  6  17  o 62.560  1.1160 0.8485000E-01  2.233000  
1 1 1 3  6  18  o 54.400  1.0680 0.1373000      2.136000  
1 1 1 3  6  19  o 74.920  1.4650 -0.1940000     2.929000  
1 1 1 3  6  20  o 57.710  1.1330 -0.2819000     2.266000  
1 1 1 3  6  21  o 73.980  1.4480 -0.7540000     2.897000  
1 1 1 3  6  22  o 47.850  0.9493 0.8570000      1.899000  
1 1 1 3  6  23  o 44.470  0.8871 -0.7101000     1.774000  
1 1 1 3  6  24  o 51.810  1.0260 -0.1662000     2.051000  
1 1 1 3  6  25  o 50.900  1.0100 -0.7055000     2.021000  
1 1 1 3  6  26  o 21.980  0.5279 -0.6219000     1.056000  
1 1 1 3  6  27  o 32.690  0.6826 0.4440000      1.365000  
1 1 1 3  6  28  o 15.130  0.5206 0.6688000      1.041000  
1 1 1 3  6  29  f 57.300  1.4000 -0.7920000     2.799000  
1 1 1 3  6  30  o 45.170  0.9109 0.4594000      1.822000  
1 1 1 3  6  31  o 44.020  0.8926 -0.2493000     1.785000  
1 1 1 3  6  32  o 27.450  0.6233 -0.8254000E-01 1.247000  
1 1 1 3  6  33  o 38.550  0.7974 -0.6436000     1.595000  
1 1 1 3  6  34  o 16.700  0.5759 -0.5944000     1.152000  
1 1 1 3  6  35  f 21.130  0.5797 -0.1123000     1.159000  
1 1 1 3  6  36  o 44.930  0.9173 -0.4897000     1.835000  
1 1 1 3  6  37  f 40.450  0.8401 0.8101000      1.680000  
1 1 1 3  6  38  o 27.830  0.6595 0.5586000      1.319000  
1 1 1 3  6  39  f 47.700  0.9722 -0.3909000     1.944000  
1 1 1 3  6  40  o 10.090  0.9257 0.2925000      1.851000  
1 1 1 3  6  41  o 14.560  0.7174 -1.131000      1.435000  
1 1 1 3  6  42  o 38.400  1.0060 0.2734000      2.012000  
1 1 1 3  6  43  o 6.7030  1.4160 -2.654000      2.832000  
1 1 1 3  6  44  o 42.870  1.1010 -0.4726000     2.202000  
1 1 1 3  6  45  o 19.460  0.8820 2.232000       1.764000  
1 1 1 3  6  46  o 17.030  0.9655 -0.5241000     1.931000  
1 1 1 3  6  47  o 14.360  1.1080 -2.346000      2.216000  
1 1 1 3  6  48  o 46.550  1.2000 0.2673000      2.400000  
1 1 1 3  6  49  o 13.890  1.1490 -1.270000      2.298000  
1 1 1 3  6  50  o 10.110  1.5630 -2.109000      3.126000  
1 1 1 3  6  51  o 36.200  1.0180 -1.816000      2.036000  
1 1 1 3  6  52  o 24.750  0.9358 -0.7861000     1.872000  
1 1 1 3  6  53  o 6.9010  1.7330 -2.304000      3.467000  
1 1 1 3  6  54  f 11.520  1.9500 -0.6864000     3.899000  
1 1 1 3  6  55  o 20.020  1.3210 -2.973000      2.642000  
1 1 1 3  6  56  o 16.350  1.5890 -0.3711000     3.178000  
1 1 1 3  6  57  o 8.5020  2.1630 -0.2727000     4.326000  
1 1 1 3  6  58  f 12.480  1.9350 4.741000       3.869000  
1 1 1 3  6  59  o 16.370  1.6370 -0.5525000     3.275000  
1 1 1 3  6  60  o 40.380  1.3790 1.414000       2.758000  
1 1 1 3  6  61  o 27.930  1.3100 -3.392000      2.620000  
1 1 1 3  6  62  o 19.670  1.5560 -2.035000      3.113000  
1 1 1 3  6  63  o 23.760  1.3860 3.277000       2.771000  
1 1 1 3  6  64  o 9.9980  2.2700 -2.619000      4.540000  
1 1 1 3  6  65  o 11.110  2.2980 -0.9315000     4.596000  
1 1 1 3  6  66  o 10.090  2.3670 1.425000       4.733000  
1 1 1 3  6  67  o 17.730  1.8180 1.025000       3.635000  
1 1 1 3  6  68  o 19.880  1.7710 0.6855000      3.541000  
1 1 1 3  6  69  f 22.410  1.6560 -0.3233000     3.312000  
1 1 1 3  6  70  o 8.5700  2.4310 -2.185000      4.862000  
1 1 1 3  6  71  o 12.750  2.5020 -3.162000      5.003000  
1 1 1 3  6  72  o 9.7820  2.5620 -1.906000      5.124000  
1 1 1 3  6  73  o 7.9160  2.3950 0.3548000      4.789000  
1 1 1 3  6  74  o 21.920  1.8750 3.653000       3.749000  
1 1 1 3  6  75  o 9.4430  2.6330 1.567000       5.265000  
1 1 1 3  6  76  o 7.1320  2.3210 -1.215000      4.642000  
1 1 1 3  6  77  o 10.930  2.7260 1.991000       5.451000  
1 1 1 3  6  78  o 12.940  2.8040 1.791000       5.609000  
1 1 1 3  6  79  o 8.6130  2.4920 -5.245000      4.983000  
1 1 1 3  6  80  f 6.9100  2.2510 0.6871000      4.501000  
1 1 1 3  6  81  o 8.4390  2.5700 -0.1125000     5.139000  
1 1 1 3  6  82  o 8.8720  2.6660 -1.579000      5.333000  
1 1 1 3  6  83  o 6.8640  2.2900 -2.095000      4.580000  
1 1 1 3  6  84  o 8.1540  2.5750 -1.759000      5.150000  
1 1 1 3  6  85  o 7.7440  2.4970 -2.271000      4.994000  
1 1 1 3  6  86  o 7.6840  2.3970 4.291000       4.795000  
1 1 1 3  6  87  o 6.3680  2.1870 0.4781000      4.373000  
1 1 1 3  6  88  o 6.8200  2.3080 -0.2069000     4.615000  
1 1 1 3  6  89  o 7.7580  2.5290 -0.5468000     5.058000  
1 1 1 3  6  90  o 6.5960  2.2230 2.408000       4.446000  
1 1 1 3  6  91  o 9.2160  2.6280 2.458000       5.256000  
1 1 1 3  6  92  o 5.0590  1.7860 0.7278000      3.573000  
1 1 1 3  6  93  o 6.1430  2.1030 0.3332000E-02  4.205000  
1 1 1 3  6  94  o 4.6190  1.6630 0.1576000E-01  3.327000  
1 1 1 3  6  95  o 5.8130  2.0340 -1.336000      4.068000  
1 1 1 3  6  96  o 4.9220  1.7500 -0.4166000     3.501000  
1 1 1 3  6  97  o 5.0640  1.7730 -0.2992000     3.546000  
1 1 1 3  6  98  o 4.4810  1.5930 0.6870000      3.185000  
1 1 1 3  6  99  o 3.4990  1.2540 -0.4926000     2.508000  
1 1 1 3  6  100 o 3.9790  1.9570 ?              ?         
1 1 1 3  7  0   f 20.040  0.5933 -0.000000      0.000000  
1 1 1 3  7  1   o 147.700 2.0340 2.500000       4.068000  
1 1 1 3  7  2   o 65.140  0.8957 -0.1231000     1.791000  
1 1 1 3  7  3   o 100.800 1.3850 0.7441000      2.770000  
1 1 1 3  7  4   o 38.850  0.5404 -0.9589000     1.081000  
1 1 1 3  7  5   o 81.860  1.1250 1.594000       2.249000  
1 1 1 3  7  6   o 15.780  0.2579 -0.4596000     0.5157000 
1 1 1 3  7  7   o 65.380  0.8991 0.5714000      1.798000  
1 1 1 3  7  8   o 63.360  0.8720 0.4943000      1.744000  
1 1 1 3  7  9   o 33.680  0.4728 -0.2900000     0.9456000 
1 1 1 3  7  10  o 51.790  0.7154 0.3945000      1.431000  
1 1 1 3  7  11  o 77.470  1.0660 0.2564000      2.131000  
1 1 1 3  7  12  o 23.230  0.3470 0.6734000      0.6941000 
1 1 1 3  7  13  o 135.300 1.8640 0.5676000E-02  3.728000  
1 1 1 3  7  14  o 87.730  1.3030 1.602000       2.606000  
1 1 1 3  7  15  o 25.310  0.4317 1.848000       0.8635000 
1 1 1 3  7  16  o 65.420  1.0430 0.8342000      2.086000  
1 1 1 3  7  17  o 11.990  0.4390 -0.5954000     0.8780000 
1 1 1 3  7  18  o 45.630  0.8229 0.8232000E-01  1.646000  
1 1 1 3  7  19  o 28.050  0.5870 0.1204000      1.174000  
1 1 1 3  7  20  o 32.470  0.6053 0.5668000      1.211000  
1 1 1 3  7  21  o 58.970  1.4230 0.3601000      2.845000  
1 1 1 3  7  22  o 26.720  0.5743 0.4278000      1.149000  
1 1 1 3  7  23  o 60.740  1.1980 -0.3912000     2.395000  
1 1 1 3  7  24  o 75.380  1.4830 -0.3356000     2.967000  
1 1 1 3  7  25  o 3.2830  0.9380 0.9241000      1.876000  
1 1 1 3  7  26  o 58.230  1.1520 -0.1959000     2.303000  
1 1 1 3  7  27  o 32.890  0.6895 -0.5181000     1.379000  
1 1 1 3  7  28  o 21.590  0.5422 -0.2191000     1.084000  
1 1 1 3  7  29  o 35.170  0.7318 -0.7952000     1.464000  
1 1 1 3  7  30  o 44.550  0.9000 -1.320000      1.800000  
1 1 1 3  7  31  o 20.680  0.5613 0.9652000      1.123000  
1 1 1 3  7  32  o 11.200  0.6734 -0.8654000     1.347000  
1 1 1 3  7  33  o 38.770  0.8021 -0.4193000E-01 1.604000  
1 1 1 3  7  34  o 19.550  0.5782 1.307000       1.156000  
1 1 1 3  7  35  f 60.220  1.2050 -0.2759000E-01 2.411000  
1 1 1 3  7  36  f 32.320  0.7095 -0.3067000     1.419000  
1 1 1 3  7  37  o 13.880  0.6622 0.3950000      1.324000  
1 1 1 3  7  38  o 29.430  0.6856 -0.6155000E-01 1.371000  
1 1 1 3  7  39  o 16.070  0.6669 -0.6919000     1.334000  
1 1 1 3  7  40  o 33.720  0.7497 -0.5251000     1.499000  
1 1 1 3  7  41  o 11.110  0.9914 -2.358000      1.983000  
1 1 1 3  7  42  o 17.100  0.7245 0.3217000      1.449000  
1 1 1 3  7  43  o 33.190  0.7621 -0.3726000     1.524000  
1 1 1 3  7  44  o 28.280  0.7219 0.1003000E-01  1.444000  
1 1 1 3  7  45  o 36.480  0.8160 0.4213000      1.632000  
1 1 1 3  7  46  o 44.310  0.9420 -0.5087000     1.884000  
1 1 1 3  7  47  o 34.610  0.8054 0.3755000      1.611000  
1 1 1 3  7  48  o 33.730  0.9750 -0.4498000     1.950000  
1 1 1 3  7  49  o 12.280  1.3260 1.339000       2.652000  
1 1 1 3  7  50  o 8.1170  1.7180 -0.1145000E-01 3.435000  
1 1 1 3  7  51  o 7.1830  1.7600 0.9718000      3.519000  
1 1 1 3  7  52  o 11.030  1.6680 -0.3164000     3.337000  
1 1 1 3  7  53  o 35.500  1.0510 -0.9120000     2.101000  
1 1 1 3  7  54  o 48.790  1.2750 -0.3734000     2.551000  
1 1 1 3  7  55  o 22.560  1.0590 -0.4356000     2.117000  
1 1 1 3  7  56  o 17.700  1.1700 0.4011000      2.340000  
1 1 1 3  7  57  o 6.3790  1.8370 3.149000       3.673000  
1 1 1 3  7  58  o 10.090  1.8450 3.830000       3.690000  
1 1 1 3  7  59  o 24.950  1.0560 2.459000       2.113000  
1 1 1 3  7  60  f 36.520  1.3000 -2.426000      2.599000  
1 1 1 3  7  61  o 22.230  1.3560 2.892000       2.712000  
1 1 1 3  7  62  o 8.0860  2.2090 0.3734000      4.418000  
1 1 1 3  7  63  o 30.310  1.3300 1.615000       2.659000  
1 1 1 3  7  64  f 8.7080  2.2020 3.481000       4.403000  
1 1 1 3  7  65  o 38.840  1.3980 2.340000       2.796000  
1 1 1 3  7  66  o 26.640  1.4390 1.937000       2.878000  
1 1 1 3  7  67  f 17.230  1.9620 -3.263000      3.923000  
1 1 1 3  7  68  o 21.590  1.6480 -0.6383000     3.296000  
1 1 1 3  7  69  o 14.110  2.3570 1.603000       4.713000  
1 1 1 3  7  70  f 15.750  2.1840 3.139000       4.367000  
1 1 1 3  7  71  f 8.3020  2.4360 0.2525000E-01  4.872000  
1 1 1 3  7  72  o 13.910  2.5590 -2.411000      5.119000  
1 1 1 3  7  73  o 16.420  2.3810 8.354000       4.763000  
1 1 1 3  7  74  o 8.7770  2.5540 -2.090000      5.108000  
1 1 1 3  7  75  f 21.030  2.0390 0.4521000      4.079000  
1 1 1 3  7  76  o 8.4210  2.5460 0.7123000E-01  5.092000  
1 1 1 3  7  77  f 11.360  2.7060 1.283000       5.411000  
1 1 1 3  7  78  o 9.0550  2.6020 2.077000       5.204000  
1 1 1 3  7  79  o 7.7340  2.4320 0.5608000      4.864000  
1 1 1 3  7  80  o 9.3820  2.7120 1.116000       5.425000  
1 1 1 3  7  81  o 7.4530  2.4420 -0.1499000     4.884000  
1 1 1 3  7  82  o 13.190  2.8120 5.523000       5.623000  
1 1 1 3  7  83  f 7.2600  2.3910 -0.5250000     4.782000  
1 1 1 3  7  84  o 7.2920  2.4020 -0.2652000E-01 4.805000  
1 1 1 3  7  85  o 7.1400  2.3510 1.204000       4.702000  
1 1 1 3  7  86  o 6.9540  2.3340 -0.8209000     4.667000  
1 1 1 3  7  87  o 6.4920  2.2300 0.7731000      4.461000  
1 1 1 3  7  88  o 7.1360  2.4030 1.119000       4.805000  
1 1 1 3  7  89  o 8.4160  2.6480 2.325000       5.296000  
1 1 1 3  7  90  f 5.4060  1.8940 -0.4969000     3.788000  
1 1 1 3  7  91  f 5.8470  2.0130 2.250000       4.026000  
1 1 1 3  7  92  o 6.0600  2.0790 0.7477000      4.157000  
1 1 1 3  7  93  o 6.2130  2.1490 2.196000       4.298000  
1 1 1 3  7  94  o 5.1740  1.8370 -0.8105000E-01 3.674000  
1 1 1 3  7  95  o 4.6130  1.6590 0.5631000      3.318000  
1 1 1 3  7  96  o 4.8870  1.7270 0.4916000E-01  3.455000  
1 1 1 3  7  97  o 4.5710  1.6300 0.3135000      3.259000  
1 1 1 3  7  98  f 3.8920  1.3940 0.6720000      2.788000  
1 1 1 3  7  99  o 4.1900  1.4500 -0.6082000     2.901000  
1 1 1 3  8  0   o 15.780  0.3693 0.000000       0.000000  
1 1 1 3  8  1   o 21.140  0.3146 0.2207000      0.6292000 
1 1 1 3  8  2   o 19.910  0.3281 -2.655000      0.6562000 
1 1 1 3  8  3   o 123.900 1.7060 2.094000       3.411000  
1 1 1 3  8  4   o 43.900  0.6563 1.168000       1.313000  
1 1 1 3  8  5   o 84.620  1.1630 1.372000       2.326000  
1 1 1 3  8  6   f 32.340  0.4563 -1.010000      0.9126000 
1 1 1 3  8  7   o 68.300  0.9399 -0.2221000     1.880000  
1 1 1 3  8  8   o 35.310  0.5359 0.3036000      1.072000  
1 1 1 3  8  9   o 72.730  1.0010 1.630000       2.002000  
1 1 1 3  8  10  f 49.580  0.6880 0.1674000      1.376000  
1 1 1 3  8  11  o 50.300  0.6966 -0.4356000E-01 1.393000  
1 1 1 3  8  12  o 53.280  0.7376 0.5138000      1.475000  
1 1 1 3  8  13  o 56.690  0.7832 0.1765000      1.566000  
1 1 1 3  8  14  f 65.110  0.8985 0.5250000      1.797000  
1 1 1 3  8  15  o 79.880  1.1880 1.235000       2.376000  
1 1 1 3  8  16  o 41.950  0.6810 -2.758000      1.362000  
1 1 1 3  8  17  f 59.350  0.8870 0.6240000      1.774000  
1 1 1 3  8  18  o 52.990  0.8502 0.5340000      1.700000  
1 1 1 3  8  19  o 42.520  0.6894 -0.3514000E-01 1.379000  
1 1 1 3  8  20  f 50.280  0.8120 -0.4125000     1.624000  
1 1 1 3  8  21  o 19.700  0.4334 1.480000       0.8668000 
1 1 1 3  8  22  o 56.170  1.0140 0.9628000      2.028000  
1 1 1 3  8  23  o 24.570  0.5006 -0.7985000     1.001000  
1 1 1 3  8  24  o 12.820  0.5216 0.2836000      1.043000  
1 1 1 3  8  25  o 24.660  0.5592 0.1803000      1.118000  
1 1 1 3  8  26  o 52.110  1.0380 0.5412000      2.076000  
1 1 1 3  8  27  o 51.380  1.0250 -0.2566000     2.050000  
1 1 1 3  8  28  o 32.750  0.6918 -1.449000      1.384000  
1 1 1 3  8  29  o 7.1870  0.9376 1.290000       1.875000  
1 1 1 3  8  30  o 32.170  0.6898 -0.3411000     1.380000  
1 1 1 3  8  31  f 9.4000  0.7923 1.238000       1.585000  
1 1 1 3  8  32  o 34.800  0.7363 -0.3206000     1.473000  
1 1 1 3  8  33  o 21.600  0.5730 -0.1357000E-01 1.146000  
1 1 1 3  8  34  o 12.040  0.7112 -0.6625000     1.422000  
1 1 1 3  8  35  o 9.4980  0.8115 -0.3273000     1.623000  
1 1 1 3  8  36  o 24.960  0.6212 0.6069000      1.242000  
1 1 1 3  8  37  o 15.950  0.6509 -0.1978000     1.302000  
1 1 1 3  8  38  o 17.870  0.6592 0.7525000      1.318000  
1 1 1 3  8  39  o 16.660  0.6743 -0.4704000     1.349000  
1 1 1 3  8  40  o 33.100  0.7451 -1.146000      1.490000  
1 1 1 3  8  41  o 40.510  0.8660 -0.3297000     1.732000  
1 1 1 3  8  42  o 18.060  0.7482 1.342000       1.496000  
1 1 1 3  8  43  o 24.100  0.7084 0.3552000E-01  1.417000  
1 1 1 3  8  44  o 16.180  0.8217 0.3797000      1.643000  
1 1 1 3  8  45  o 58.400  1.1850 0.6016000      2.370000  
1 1 1 3  8  46  o 38.150  0.8538 -0.8170000     1.708000  
1 1 1 3  8  47  o 26.770  0.7484 -1.324000      1.497000  
1 1 1 3  8  48  o 10.510  1.3140 -0.7002000     2.629000  
1 1 1 3  8  49  o 14.480  1.0250 0.9364000      2.050000  
1 1 1 3  8  50  o 57.910  1.1890 1.389000       2.379000  
1 1 1 3  8  51  o 38.860  0.8905 0.9342000      1.781000  
1 1 1 3  8  52  o 41.850  0.9405 0.6297000      1.881000  
1 1 1 3  8  53  o 32.730  0.8610 -2.274000      1.722000  
1 1 1 3  8  54  o 38.080  1.0900 -0.2905000     2.180000  
1 1 1 3  8  55  o 7.2800  1.8460 -1.448000      3.692000  
1 1 1 3  8  56  o 13.260  1.6240 -2.235000      3.249000  
1 1 1 3  8  57  o 18.150  1.1720 0.5084000      2.345000  
1 1 1 3  8  58  o 18.200  1.2760 -1.060000      2.552000  
1 1 1 3  8  59  o 26.440  1.0740 -1.508000      2.148000  
1 1 1 3  8  60  o 14.390  1.5310 -1.264000      3.063000  
1 1 1 3  8  61  o 13.230  1.7860 -1.701000      3.572000  
1 1 1 3  8  62  o 5.5540  1.7740 0.6344000      3.548000  
1 1 1 3  8  63  o 12.840  1.9190 2.090000       3.838000  
1 1 1 3  8  64  o 16.020  1.5090 -1.113000      3.019000  
1 1 1 3  8  65  o 10.590  2.3380 3.193000       4.676000  
1 1 1 3  8  66  o 27.640  1.4680 0.2463000      2.936000  
1 1 1 3  8  67  o 9.7900  2.3970 3.030000       4.794000  
1 1 1 3  8  68  o 18.320  2.0150 2.216000       4.031000  
1 1 1 3  8  69  o 36.700  1.4730 0.1948000      2.946000  
1 1 1 3  8  70  o 19.260  1.9910 -6.991000      3.982000  
1 1 1 3  8  71  o 10.440  2.5680 -4.708000      5.135000  
1 1 1 3  8  72  o 8.6130  2.4190 3.215000       4.838000  
1 1 1 3  8  73  f 8.2070  2.4110 2.294000       4.823000  
1 1 1 3  8  74  o 8.4100  2.5360 0.3126000      5.072000  
1 1 1 3  8  75  o 14.000  2.6510 -2.338000      5.301000  
1 1 1 3  8  76  o 10.420  2.7240 -0.9667000     5.449000  
1 1 1 3  8  77  o 6.8670  2.2530 -1.622000      4.507000  
1 1 1 3  8  78  o 12.450  2.7740 0.1077000      5.549000  
1 1 1 3  8  79  f 8.8160  2.5990 -1.898000      5.198000  
1 1 1 3  8  80  o 7.6720  2.4270 -1.932000      4.854000  
1 1 1 3  8  81  o 6.6410  2.2440 -0.5119000     4.488000  
1 1 1 3  8  82  o 9.3570  2.7490 -0.8341000     5.499000  
1 1 1 3  8  83  o 8.4340  2.5780 0.1413000      5.157000  
1 1 1 3  8  84  o 7.9740  2.5110 -0.7684000     5.023000  
1 1 1 3  8  85  o 7.4440  2.4170 0.6759000      4.833000  
1 1 1 3  8  86  o 6.4350  2.1990 -0.3193000     4.398000  
1 1 1 3  8  87  o 6.7440  2.2890 1.708000       4.578000  
1 1 1 3  8  88  o 6.7510  2.2910 0.8464000      4.582000  
1 1 1 3  8  89  o 6.6560  2.2270 0.4033000      4.453000  
1 1 1 3  8  90  o 6.1250  2.0850 0.2006000      4.170000  
1 1 1 3  8  91  o 6.6170  2.2180 1.036000       4.437000  
1 1 1 3  8  92  o 6.4920  2.2100 0.6679000      4.420000  
1 1 1 3  8  93  o 6.4120  2.1980 0.9338000      4.397000  
1 1 1 3  8  94  o 5.2150  1.8550 0.9530000      3.710000  
1 1 1 3  8  95  o 5.3880  1.8760 0.6964000      3.753000  
1 1 1 3  8  96  o 4.7790  1.6900 -0.7661000E-01 3.379000  
1 1 1 3  8  97  o 4.8840  1.6960 0.2364000      3.392000  
1 1 1 3  8  98  o 4.5920  1.5550 -0.4684000     3.111000  
1 1 1 3  9  0   o 69.340  1.3480 0.000000       0.000000  
1 1 1 3  9  1   o 40.970  0.5698 -0.6624000     1.140000  
1 1 1 3  9  2   o 70.930  0.9756 -0.4705000     1.951000  
1 1 1 3  9  3   o 49.700  0.6877 0.1213000      1.375000  
1 1 1 3  9  4   o 37.400  0.5233 0.4998000E-01  1.047000  
1 1 1 3  9  5   o 38.160  0.5335 -0.2893000     1.067000  
1 1 1 3  9  6   o 38.170  0.5334 -0.4427000     1.067000  
1 1 1 3  9  7   o 78.410  1.0800 1.626000       2.161000  
1 1 1 3  9  8   o 39.600  0.5556 -0.4354000     1.111000  
1 1 1 3  9  9   o 8.2050  0.3581 -1.140000      0.7163000 
1 1 1 3  9  10  o 30.850  0.4398 0.8330000E-01  0.8796000 
1 1 1 3  9  11  o 48.980  0.6793 0.5158000E-01  1.359000  
1 1 1 3  9  12  o 6.6280  0.4333 0.6610000      0.8667000 
1 1 1 3  9  13  o 38.520  0.5407 -0.5054000E-01 1.081000  
1 1 1 3  9  14  o 27.500  0.4014 -0.6228000     0.8028000 
1 1 1 3  9  15  o 44.300  0.6185 -0.4836000     1.237000  
1 1 1 3  9  16  o 8.2980  0.3635 -0.2542000     0.7270000 
1 1 1 3  9  17  o 49.300  0.7418 0.4872000E-01  1.484000  
1 1 1 3  9  18  o 16.380  0.3491 -0.4057000     0.6982000 
1 1 1 3  9  19  o 21.050  0.3665 -0.9555000     0.7331000 
1 1 1 3  9  20  o 39.490  0.7204 -0.5135000     1.441000  
1 1 1 3  9  21  o 36.580  0.6039 0.2969000      1.208000  
1 1 1 3  9  22  o 35.120  0.5827 -0.6322000     1.165000  
1 1 1 3  9  23  o 39.740  0.6541 0.2319000      1.308000  
1 1 1 3  9  24  o 13.770  0.4430 2.702000       0.8860000 
1 1 1 3  9  25  o 20.740  0.4701 -0.2199000     0.9402000 
1 1 1 3  9  26  o 32.730  0.6232 -2.439000      1.246000  
1 1 1 3  9  27  o 22.960  0.5543 -0.2230000     1.109000  
1 1 1 3  9  28  o 25.810  0.5935 -0.2518000     1.187000  
1 1 1 3  9  29  o 39.600  1.0080 -0.7112000     2.017000  
1 1 1 3  9  30  o 19.900  0.5649 -1.984000      1.130000  
1 1 1 3  9  31  o 18.870  0.5691 -0.4780000     1.138000  
1 1 1 3  9  32  o 17.630  0.5732 0.3164000E-01  1.146000  
1 1 1 3  9  33  o 42.760  0.8774 0.1216000      1.755000  
1 1 1 3  9  34  o 25.190  0.6268 -1.051000      1.254000  
1 1 1 3  9  35  o 14.230  0.6977 0.3494000      1.395000  
1 1 1 3  9  36  o 24.340  0.6368 -0.7997000     1.274000  
1 1 1 3  9  37  o 32.920  0.7368 0.5692000      1.474000  
1 1 1 3  9  38  o 25.900  0.6651 0.5467000      1.330000  
1 1 1 3  9  39  o 20.810  0.6673 -0.3735000     1.335000  
1 1 1 3  9  40  o 41.090  0.8728 -0.7511000     1.746000  
1 1 1 3  9  41  o 30.630  0.7309 1.550000       1.462000  
1 1 1 3  9  42  o 11.970  0.9575 -1.291000      1.915000  
1 1 1 3  9  43  o 10.660  1.0910 -1.584000      2.182000  
1 1 1 3  9  44  o 39.050  0.8543 0.5738000      1.709000  
1 1 1 3  9  45  o 26.930  0.7461 0.8107000      1.492000  
1 1 1 3  9  46  f 37.310  0.8493 0.4696000      1.699000  
1 1 1 3  9  47  o 34.630  0.8192 0.8755000      1.638000  
1 1 1 3  9  48  o 26.560  0.7487 0.4635000      1.497000  
1 1 1 3  9  49  o 14.360  1.0490 -0.9965000     2.099000  
1 1 1 3  9  50  o 19.420  0.8668 -1.018000      1.734000  
1 1 1 3  9  51  o 43.530  0.9565 -0.8721000     1.913000  
1 1 1 3  9  52  f 20.640  0.9258 1.932000       1.852000  
1 1 1 3  9  53  o 55.060  1.1480 1.324000       2.296000  
1 1 1 3  9  54  o 28.470  0.8438 -0.9664000     1.688000  
1 1 1 3  9  55  o 21.950  0.8901 -0.6910000     1.780000  
1 1 1 3  9  56  o 16.600  1.0780 -2.096000      2.156000  
1 1 1 3  9  57  o 9.1780  1.7410 2.250000       3.482000  
1 1 1 3  9  58  f 21.710  0.9572 -1.198000      1.914000  
1 1 1 3  9  59  o 8.1520  1.9220 3.824000       3.844000  
1 1 1 3  9  60  o 8.8180  2.0090 0.5263000      4.018000  
1 1 1 3  9  61  o 18.400  1.4640 -5.026000      2.928000  
1 1 1 3  9  62  o 32.080  1.1090 -0.8632000     2.218000  
1 1 1 3  9  63  o 33.090  1.1580 1.658000       2.317000  
1 1 1 3  9  64  o 6.9710  2.0200 0.4170000      4.040000  
1 1 1 3  9  65  o 17.070  1.6180 0.1736000      3.236000  
1 1 1 3  9  66  o 21.680  1.3280 -0.1328000E-01 2.656000  
1 1 1 3  9  67  o 15.310  1.8820 -0.3421000     3.763000  
1 1 1 3  9  68  o 8.8340  2.2090 -1.371000      4.418000  
1 1 1 3  9  69  o 8.8580  2.2900 -0.6116000     4.579000  
1 1 1 3  9  70  o 13.610  2.5430 1.973000       5.086000  
1 1 1 3  9  71  o 7.9500  2.4060 0.3354000      4.812000  
1 1 1 3  9  72  f 16.080  2.5610 -1.260000      5.123000  
1 1 1 3  9  73  o 7.1370  2.3080 -1.036000      4.615000  
1 1 1 3  9  74  o 9.0360  2.5370 2.031000       5.075000  
1 1 1 3  9  75  o 10.760  2.6550 -4.817000      5.311000  
1 1 1 3  9  76  f 9.6220  2.7250 -0.1049000     5.450000  
1 1 1 3  9  77  o 14.520  2.6630 4.550000       5.326000  
1 1 1 3  9  78  o 12.060  2.9090 0.1246000      5.817000  
1 1 1 3  9  79  o 6.7560  2.2760 -0.7688000     4.552000  
1 1 1 3  9  80  o 8.5530  2.5450 1.557000       5.090000  
1 1 1 3  9  81  o 8.2310  2.5430 -2.629000      5.085000  
1 1 1 3  9  82  o 7.6250  2.4340 0.6751000      4.868000  
1 1 1 3  9  83  o 5.9750  2.0620 -0.3048000     4.123000  
1 1 1 3  9  84  o 7.5760  2.4110 -3.982000      4.823000  
1 1 1 3  9  85  o 5.9350  2.0690 -0.8755000     4.139000  
1 1 1 3  9  86  o 7.2280  2.4010 -0.5073000     4.801000  
1 1 1 3  9  87  o 6.4100  2.1990 -0.9644000     4.397000  
1 1 1 3  9  88  o 7.2850  2.3680 -1.877000      4.736000  
1 1 1 3  9  89  o 7.0970  2.2990 -0.9903000     4.598000  
1 1 1 3  9  90  f 6.6930  2.2190 1.135000       4.438000  
1 1 1 3  9  91  o 6.0070  2.0790 0.8538000      4.158000  
1 1 1 3  9  92  o 6.1480  2.1350 -0.5558000     4.270000  
1 1 1 3  9  93  f 5.5910  1.9670 0.9689000      3.935000  
1 1 1 3  9  94  o 5.3650  1.8760 0.2056000E-01  3.752000  
1 1 1 3  9  95  o 4.4100  1.5790 -0.2442000E-01 3.158000  
1 1 1 3  9  96  o 4.6170  1.6360 -0.8769000     3.272000  
1 1 1 3  9  97  o 4.2960  1.5070 0.2576000      3.014000  
1 1 1 3  9  98  o 4.0860  2.0450 ?              ?         
1 1 1 3  10 0   o 20.930  0.4535 -0.000000      0.000000  
1 1 1 3  10 1   o 32.570  0.4600 -0.8298000     0.9200000 
1 1 1 3  10 2   o 28.810  0.4124 -0.4080000     0.8248000 
1 1 1 3  10 3   o 73.270  1.0110 0.9158000      2.023000  
1 1 1 3  10 4   o 89.340  1.2330 0.3398000      2.466000  
1 1 1 3  10 5   o 40.990  0.6625 0.7618000      1.325000  
1 1 1 3  10 6   o 35.690  0.5021 -0.5454000E-01 1.004000  
1 1 1 3  10 7   o 22.050  0.3628 -0.6228000     0.7255000 
1 1 1 3  10 8   o 31.400  0.4493 0.1657000      0.8987000 
1 1 1 3  10 9   o 32.370  0.4619 0.3496000      0.9237000 
1 1 1 3  10 10  o 71.720  0.9907 0.8796000      1.981000  
1 1 1 3  10 11  o 19.320  0.3633 -0.2244000     0.7265000 
1 1 1 3  10 12  o 6.1290  0.4179 0.8929000      0.8358000 
1 1 1 3  10 13  o 14.620  0.2868 -0.2452000     0.5735000 
1 1 1 3  10 14  o 36.390  0.5155 0.4851000E-01  1.031000  
1 1 1 3  10 15  o 43.630  0.6109 -0.1391000     1.222000  
1 1 1 3  10 16  o 71.000  0.9832 -0.1283000     1.966000  
1 1 1 3  10 17  o 46.710  0.6531 0.4424000      1.306000  
1 1 1 3  10 18  o 19.540  0.3784 -1.560000      0.7568000 
1 1 1 3  10 19  o 49.370  0.7462 0.8229000      1.492000  
1 1 1 3  10 20  o 20.620  0.3708 0.6197000      0.7416000 
1 1 1 3  10 21  o 21.530  0.4108 -0.5513000     0.8216000 
1 1 1 3  10 22  o 31.990  0.5423 0.7088000      1.085000  
1 1 1 3  10 23  o 12.220  0.3944 0.2231000      0.7888000 
1 1 1 3  10 24  f 29.990  0.5167 0.4166000      1.033000  
1 1 1 3  10 25  o 26.960  0.6001 -0.8051000     1.200000  
1 1 1 3  10 26  o 49.720  0.8101 0.2990000      1.620000  
1 1 1 3  10 27  o 28.360  0.5041 0.2854000      1.008000  
1 1 1 3  10 28  o 37.870  0.7120 -0.1839000     1.424000  
1 1 1 3  10 29  f 25.460  0.5408 -0.2827000     1.082000  
1 1 1 3  10 30  o 8.9810  0.8758 0.7867000      1.752000  
1 1 1 3  10 31  o 18.570  0.5502 0.4454000      1.100000  
1 1 1 3  10 32  o 44.250  0.9057 -0.2076000     1.811000  
1 1 1 3  10 33  o 8.8080  1.0530 -0.4246000     2.106000  
1 1 1 3  10 34  o 29.730  0.6782 -0.1994000     1.356000  
1 1 1 3  10 35  o 28.190  0.6673 -0.4589000     1.335000  
1 1 1 3  10 36  o 20.180  0.6478 -1.043000      1.296000  
1 1 1 3  10 37  o 32.590  0.7338 0.9569000      1.468000  
1 1 1 3  10 38  o 26.480  0.6719 -0.2507000     1.344000  
1 1 1 3  10 39  o 28.730  0.7111 -0.3004000     1.422000  
1 1 1 3  10 40  o 47.330  0.9787 -1.122000      1.957000  
1 1 1 3  10 41  o 37.490  0.8246 -1.110000      1.649000  
1 1 1 3  10 42  o 28.440  0.7264 -0.6919000     1.453000  
1 1 1 3  10 43  o 35.430  0.7983 0.1836000      1.597000  
1 1 1 3  10 44  f 46.080  0.9713 0.1583000      1.943000  
1 1 1 3  10 45  o 50.650  1.0490 1.213000       2.099000  
1 1 1 3  10 46  o 10.310  1.3510 2.996000       2.702000  
1 1 1 3  10 47  o 23.790  0.7676 0.1804000E-01  1.535000  
1 1 1 3  10 48  f 15.830  0.9265 1.099000       1.853000  
1 1 1 3  10 49  o 13.530  1.0890 -0.3724000     2.178000  
1 1 1 3  10 50  o 7.0940  1.6710 -1.969000      3.342000  
1 1 1 3  10 51  o 30.820  0.8329 0.5291000E-02  1.666000  
1 1 1 3  10 52  o 24.400  0.8236 1.246000       1.647000  
1 1 1 3  10 53  o 12.750  1.3160 -3.120000      2.632000  
1 1 1 3  10 54  o 30.250  0.8409 -0.3592000     1.682000  
1 1 1 3  10 55  f 28.570  0.8459 0.1845000      1.692000  
1 1 1 3  10 56  o 34.920  0.8928 -2.790000      1.786000  
1 1 1 3  10 57  o 12.910  1.3960 -1.170000      2.792000  
1 1 1 3  10 58  o 19.410  1.0680 0.8224000      2.136000  
1 1 1 3  10 59  o 42.650  0.9914 -0.4717000     1.983000  
1 1 1 3  10 60  o 10.740  1.7620 -3.518000      3.523000  
1 1 1 3  10 61  o 13.590  1.4790 0.5647000      2.959000  
1 1 1 3  10 62  o 17.390  1.2120 -0.9972000     2.423000  
1 1 1 3  10 63  o 12.000  1.8120 3.874000       3.624000  
1 1 1 3  10 64  o 16.450  1.5740 0.7559000      3.148000  
1 1 1 3  10 65  o 13.860  1.9280 -0.3385000     3.856000  
1 1 1 3  10 66  o 9.6560  2.0510 -4.383000      4.102000  
1 1 1 3  10 67  o 9.5050  2.1850 -0.3595000     4.370000  
1 1 1 3  10 68  o 11.210  2.1750 -4.128000      4.350000  
1 1 1 3  10 69  o 6.7580  2.0930 -0.5551000     4.185000  
1 1 1 3  10 70  o 16.510  1.9100 0.3868000      3.821000  
1 1 1 3  10 71  o 7.8670  2.3240 -0.6484000     4.649000  
1 1 1 3  10 72  o 9.4730  2.3400 4.228000       4.679000  
1 1 1 3  10 73  o 9.6700  2.4720 2.418000       4.944000  
1 1 1 3  10 74  o 8.7180  2.5570 -1.957000      5.114000  
1 1 1 3  10 75  o 12.280  2.6860 1.803000       5.373000  
1 1 1 3  10 76  o 6.8730  2.2700 0.1121000E-01  4.539000  
1 1 1 3  10 77  o 6.9950  2.3030 -0.9639000     4.607000  
1 1 1 3  10 78  o 10.400  2.8740 -1.102000      5.747000  
1 1 1 3  10 79  o 12.230  2.9210 3.456000       5.842000  
1 1 1 3  10 80  o 8.5340  2.5080 2.023000       5.016000  
1 1 1 3  10 81  o 7.0720  2.2400 2.630000       4.480000  
1 1 1 3  10 82  f 6.5500  2.1930 1.487000       4.386000  
1 1 1 3  10 83  o 7.6250  2.4560 0.3504000      4.913000  
1 1 1 3  10 84  o 6.1230  2.1080 0.1177000      4.216000  
1 1 1 3  10 85  f 7.4990  2.4470 0.4521000E-01  4.895000  
1 1 1 3  10 86  o 7.0700  2.3630 -0.7638000     4.726000  
1 1 1 3  10 87  o 5.7350  1.9860 -1.310000      3.972000  
1 1 1 3  10 88  o 5.5830  1.9360 0.3786000      3.873000  
1 1 1 3  10 89  o 6.1330  2.0860 0.3457000      4.171000  
1 1 1 3  10 90  o 5.3940  1.9060 0.2400000      3.812000  
1 1 1 3  10 91  f 6.7440  2.2860 1.264000       4.572000  
1 1 1 3  10 92  o 5.3010  1.8840 -0.6467000     3.768000  
1 1 1 3  10 93  o 5.4400  1.8780 0.8487000      3.757000  
1 1 1 3  10 94  o 4.6590  1.6560 -0.3482000     3.312000  
1 1 1 3  10 95  o 4.6920  1.6530 -0.1604000     3.306000  
1 1 1 3  10 96  o 4.0480  1.4330 0.1632000      2.867000  
1 1 1 3  10 97  o 4.4690  1.5620 0.2574000      3.124000  
1 1 1 3  11 0   o 92.420  1.8000 0.000000       0.000000  
1 1 1 3  11 1   o 53.500  0.7410 -0.5581000     1.482000  
1 1 1 3  11 2   o 22.250  0.3646 0.2110000      0.7292000 
1 1 1 3  11 3   o 52.750  0.7317 0.9795000      1.463000  
1 1 1 3  11 4   o 41.720  0.5833 -0.1504000     1.167000  
1 1 1 3  11 5   o 49.400  0.6861 0.1449000E-01  1.372000  
1 1 1 3  11 6   o 50.110  0.6964 0.3351000      1.393000  
1 1 1 3  11 7   o 44.030  0.6147 0.6837000      1.229000  
1 1 1 3  11 8   o 23.420  0.3545 0.3762000      0.7090000 
1 1 1 3  11 9   f 8.7680  0.3928 -0.2733000     0.7856000 
1 1 1 3  11 10  o 39.060  0.5490 -0.4143000     1.098000  
1 1 1 3  11 11  o 53.110  0.7375 0.8819000      1.475000  
1 1 1 3  11 12  o 25.360  0.4122 -0.9304000     0.8243000 
1 1 1 3  11 13  o 23.720  0.3628 0.8218000E-01  0.7256000 
1 1 1 3  11 14  o 34.350  0.4903 0.1419000E-01  0.9805000 
1 1 1 3  11 15  f 12.150  0.3298 -0.1578000E-01 0.6596000 
1 1 1 3  11 16  o 35.120  0.5018 -0.3995000E-01 1.004000  
1 1 1 3  11 17  o 18.560  0.3268 0.3806000      0.6537000 
1 1 1 3  11 18  o 15.610  0.3089 0.1445000      0.6177000 
1 1 1 3  11 19  o 46.550  0.6541 -0.1704000     1.308000  
1 1 1 3  11 20  o 23.900  0.3782 0.2966000      0.7564000 
1 1 1 3  11 21  o 36.470  0.5659 0.7437000      1.132000  
1 1 1 3  11 22  o 37.140  0.5758 -0.6183000     1.152000  
1 1 1 3  11 23  o 13.470  0.3959 -0.5142000E-01 0.7918000 
1 1 1 3  11 24  o 13.380  0.4115 -0.3491000     0.8230000 
1 1 1 3  11 25  o 23.170  0.4414 0.3139000      0.8828000 
1 1 1 3  11 26  o 37.370  0.6251 -0.8291000     1.250000  
1 1 1 3  11 27  o 17.200  0.4163 0.9604000      0.8326000 
1 1 1 3  11 28  o 31.930  0.5548 0.2223000      1.110000  
1 1 1 3  11 29  o 42.370  0.7046 0.2575000      1.409000  
1 1 1 3  11 30  o 14.950  0.5331 1.540000       1.066000  
1 1 1 3  11 31  o 54.210  0.9910 -1.243000      1.982000  
1 1 1 3  11 32  o 32.730  0.6484 -1.389000      1.297000  
1 1 1 3  11 33  f 16.170  0.5645 -1.440000      1.129000  
1 1 1 3  11 34  o 25.130  0.6336 0.9657000      1.267000  
1 1 1 3  11 35  o 46.310  0.9511 -0.1982000     1.902000  
1 1 1 3  11 36  o 37.960  0.8152 0.4506000      1.630000  
1 1 1 3  11 37  o 59.340  1.1920 -0.1714000     2.384000  
1 1 1 3  11 38  o 13.770  0.8302 1.112000       1.660000  
1 1 1 3  11 39  o 44.930  0.9313 -0.3985000     1.863000  
1 1 1 3  11 40  o 36.700  0.8106 -0.2372000     1.621000  
1 1 1 3  11 41  o 21.850  0.7135 -2.320000      1.427000  
1 1 1 3  11 42  o 31.270  0.7497 -0.3013000     1.499000  
1 1 1 3  11 43  o 36.090  0.8125 -0.5047000     1.625000  
1 1 1 3  11 44  o 21.420  0.7509 -0.1942000     1.502000  
1 1 1 3  11 45  o 20.770  0.7872 0.2953000      1.574000  
1 1 1 3  11 46  o 43.670  0.9405 0.2877000      1.881000  
1 1 1 3  11 47  o 9.6180  1.4260 -1.587000      2.852000  
1 1 1 3  11 48  o 41.420  0.9200 0.7462000      1.840000  
1 1 1 3  11 49  o 41.790  0.9337 0.8013000      1.867000  
1 1 1 3  11 50  o 21.600  0.8588 0.5823000E-02  1.718000  
1 1 1 3  11 51  o 22.280  0.8285 1.240000       1.657000  
1 1 1 3  11 52  o 6.3890  1.7010 1.562000       3.401000  
1 1 1 3  11 53  o 41.100  0.9362 -0.9439000     1.872000  
1 1 1 3  11 54  o 27.360  0.8433 -0.5423000E-01 1.687000  
1 1 1 3  11 55  o 8.4680  1.7120 1.130000       3.424000  
1 1 1 3  11 56  o 7.7080  1.8360 0.3552000      3.673000  
1 1 1 3  11 57  o 8.0160  1.8310 -1.244000      3.662000  
1 1 1 3  11 58  o 19.140  1.0800 2.101000       2.160000  
1 1 1 3  11 59  o 7.7880  1.9070 1.073000       3.813000  
1 1 1 3  11 60  o 32.740  0.9570 -1.873000      1.914000  
1 1 1 3  11 61  o 21.410  1.0940 0.4117000E-01  2.188000  
1 1 1 3  11 62  f 7.5080  1.9480 -2.605000      3.897000  
1 1 1 3  11 63  o 13.410  1.6320 -1.591000      3.263000  
1 1 1 3  11 64  o 6.9330  1.9580 -2.221000      3.915000  
1 1 1 3  11 65  o 8.6500  2.0980 -1.085000      4.197000  
1 1 1 3  11 66  o 13.550  1.8040 -1.752000      3.608000  
1 1 1 3  11 67  o 9.8820  2.1300 -0.6819000     4.259000  
1 1 1 3  11 68  o 14.330  1.8110 0.9259000      3.623000  
1 1 1 3  11 69  o 9.0920  2.3980 3.125000       4.796000  
1 1 1 3  11 70  o 21.390  1.5830 0.6864000      3.167000  
1 1 1 3  11 71  o 8.7550  2.3970 0.9794000      4.795000  
1 1 1 3  11 72  o 12.780  2.4350 2.589000       4.871000  
1 1 1 3  11 73  o 15.890  2.0860 -4.562000      4.172000  
1 1 1 3  11 74  o 8.3420  2.3840 -0.5316000     4.768000  
1 1 1 3  11 75  o 8.0530  2.3320 1.655000       4.664000  
1 1 1 3  11 76  o 8.1310  2.3100 -2.228000      4.621000  
1 1 1 3  11 77  o 7.9520  2.3400 -1.083000      4.680000  
1 1 1 3  11 78  o 6.4970  2.1310 0.5823000      4.261000  
1 1 1 3  11 79  o 8.0590  2.5250 -0.1227000     5.051000  
1 1 1 3  11 80  o 7.9190  2.3150 4.321000       4.630000  
1 1 1 3  11 81  o 7.7710  2.4330 -1.700000      4.865000  
1 1 1 3  11 82  o 7.4760  2.4060 1.179000       4.812000  
1 1 1 3  11 83  o 7.5620  2.4130 0.5426000      4.826000  
1 1 1 3  11 84  o 7.8000  2.4730 -0.2214000     4.947000  
1 1 1 3  11 85  o 6.0570  2.0870 0.1575000      4.174000  
1 1 1 3  11 86  o 6.3830  2.1600 0.6876000      4.320000  
1 1 1 3  11 87  o 5.6850  1.9620 -0.5550000     3.923000  
1 1 1 3  11 88  o 5.4730  1.9110 -0.4899000E-01 3.821000  
1 1 1 3  11 89  o 5.6670  1.9840 0.5520000      3.968000  
1 1 1 3  11 90  o 5.6750  1.9870 1.521000       3.975000  
1 1 1 3  11 91  o 4.9120  1.7460 -0.1875000     3.493000  
1 1 1 3  11 92  o 5.7320  1.9540 0.7213000      3.908000  
1 1 1 3  11 93  o 5.9720  2.0140 -2.134000      4.029000  
1 1 1 3  11 94  o 5.0030  1.7510 -0.4550000     3.501000  
1 1 1 3  11 95  o 4.7910  1.6620 -1.030000      3.325000  
1 1 1 3  11 96  o 3.8260  1.3690 -0.6466000     2.739000  
1 1 1 3  12 0   o 63.200  1.2350 0.000000       0.000000  
1 1 1 3  12 1   o 17.970  0.4273 -0.2043000E-01 0.8547000 
1 1 1 3  12 2   o 64.880  0.8975 0.4655000      1.795000  
1 1 1 3  12 3   o 60.930  0.8440 1.362000       1.688000  
1 1 1 3  12 4   o 25.940  0.3858 -0.3783000     0.7716000 
1 1 1 3  12 5   o 17.720  0.3287 1.608000       0.6574000 
1 1 1 3  12 6   o 47.820  0.6668 1.054000       1.334000  
1 1 1 3  12 7   o 31.320  0.5205 0.2969000E-01  1.041000  
1 1 1 3  12 8   o 27.720  0.4094 -0.6790000E-01 0.8189000 
1 1 1 3  12 9   o 19.100  0.3186 -0.3555000     0.6372000 
1 1 1 3  12 10  o 27.740  0.4076 0.6195000      0.8153000 
1 1 1 3  12 11  o 12.390  0.3320 -0.5411000     0.6639000 
1 1 1 3  12 12  o 12.100  0.3075 0.5619000      0.6151000 
1 1 1 3  12 13  o 23.580  0.3648 -0.3360000     0.7297000 
1 1 1 3  12 14  o 14.090  0.3069 -0.1787000     0.6138000 
1 1 1 3  12 15  f 59.630  0.8304 -0.1905000E-01 1.661000  
1 1 1 3  12 16  o 23.550  0.4264 -0.4722000     0.8527000 
1 1 1 3  12 17  o 30.590  0.4492 -0.2800000E-02 0.8985000 
1 1 1 3  12 18  o 39.420  0.5603 0.4883000E-03  1.121000  
1 1 1 3  12 19  o 44.830  0.6325 0.5478000      1.265000  
1 1 1 3  12 20  o 17.430  0.3600 -0.9554000     0.7200000 
1 1 1 3  12 21  o 4.7780  0.7102 -0.1694000     1.420000  
1 1 1 3  12 22  o 58.680  0.8871 1.843000       1.774000  
1 1 1 3  12 23  o 23.570  0.4142 1.009000       0.8284000 
1 1 1 3  12 24  o 18.190  0.3756 -0.6474000E-01 0.7513000 
1 1 1 3  12 25  f 6.4750  0.9096 -0.9154000     1.819000  
1 1 1 3  12 26  o 90.760  1.4660 -0.9289000     2.933000  
1 1 1 3  12 27  o 42.530  1.0030 ?              ?         
1 1 1 3  12 28  o 14.350  0.4576 -0.1773000     0.9151000 
1 1 1 3  12 29  o 37.330  0.6305 0.2548000      1.261000  
1 1 1 3  12 30  o 36.620  0.6262 0.1373000      1.252000  
1 1 1 3  12 31  o 47.580  0.7836 0.5333000      1.567000  
1 1 1 3  12 32  o 69.020  1.1170 -0.7787000     2.235000  
1 1 1 3  12 33  o 14.310  0.5098 -0.5231000     1.020000  
1 1 1 3  12 34  o 31.600  0.5742 0.5610000      1.148000  
1 1 1 3  12 35  o 57.420  1.0480 -2.418000      2.097000  
1 1 1 3  12 36  f 39.520  0.7613 0.5280000      1.523000  
1 1 1 3  12 37  o 38.980  0.7580 -0.8886000     1.516000  
1 1 1 3  12 38  o 27.950  0.7003 -0.4462000     1.401000  
1 1 1 3  12 39  o 38.820  0.8378 0.4007000      1.676000  
1 1 1 3  12 40  o 31.430  0.7510 0.6016000      1.502000  
1 1 1 3  12 41  o 20.630  0.7291 0.9094000      1.458000  
1 1 1 3  12 42  o 17.500  0.7813 0.8806000      1.563000  
1 1 1 3  12 43  o 11.820  1.1190 -3.669000      2.238000  
1 1 1 3  12 44  o 28.600  0.7442 -0.6707000     1.488000  
1 1 1 3  12 45  o 48.230  1.2460 -0.4963000     2.491000  
1 1 1 3  12 46  o 39.420  0.8792 -0.1241000     1.758000  
1 1 1 3  12 47  o 4.9220  1.4940 0.3813000      2.988000  
1 1 1 3  12 48  o 36.110  0.8493 -0.6988000     1.699000  
1 1 1 3  12 49  o 20.570  0.8552 -0.6737000     1.710000  
1 1 1 3  12 50  o 18.530  0.9185 0.7207000      1.837000  
1 1 1 3  12 51  o 9.6280  1.5020 0.1585000      3.004000  
1 1 1 3  12 52  o 15.060  1.1050 -0.3482000     2.209000  
1 1 1 3  12 53  o 13.230  1.3130 2.109000       2.626000  
1 1 1 3  12 54  o 12.380  1.4480 -1.843000      2.896000  
1 1 1 3  12 55  o 24.510  0.8870 -0.3143000     1.774000  
1 1 1 3  12 56  o 27.160  0.8936 -0.5475000     1.787000  
1 1 1 3  12 57  o 25.030  0.9410 1.091000       1.882000  
1 1 1 3  12 58  o 7.1660  1.9020 -0.8656000     3.804000  
1 1 1 3  12 59  o 13.230  1.5460 -1.651000      3.093000  
1 1 1 3  12 60  o 24.220  0.9875 -2.221000      1.975000  
1 1 1 3  12 61  o 8.6970  2.0100 0.6377000      4.021000  
1 1 1 3  12 62  o 10.700  1.8610 -2.881000      3.722000  
1 1 1 3  12 63  o 14.730  1.6090 -1.108000      3.219000  
1 1 1 3  12 64  o 20.000  1.2490 -0.3606000     2.499000  
1 1 1 3  12 65  o 15.630  1.6050 -0.9123000     3.209000  
1 1 1 3  12 66  o 14.210  1.7710 -0.1690000     3.541000  
1 1 1 3  12 67  o 7.1680  2.0280 -3.013000      4.055000  
1 1 1 3  12 68  o 8.0840  2.1510 -0.3597000     4.302000  
1 1 1 3  12 69  o 11.270  2.1380 1.236000       4.275000  
1 1 1 3  12 70  o 7.0200  2.0940 1.088000       4.189000  
1 1 1 3  12 71  o 7.8130  2.1570 -2.251000      4.314000  
1 1 1 3  12 72  o 5.3200  1.7880 -0.9303000     3.575000  
1 1 1 3  12 73  o 6.8910  2.1590 -0.4272000     4.317000  
1 1 1 3  12 74  o 7.6530  2.3230 0.3658000      4.645000  
1 1 1 3  12 75  o 8.7610  2.5120 2.276000       5.024000  
1 1 1 3  12 76  o 5.9930  2.0390 1.426000       4.079000  
1 1 1 3  12 77  o 8.5780  2.4360 -1.968000      4.872000  
1 1 1 3  12 78  o 9.0740  2.5070 2.059000       5.015000  
1 1 1 3  12 79  o 9.0610  2.5060 -0.4910000     5.012000  
1 1 1 3  12 80  o 6.9680  2.2220 1.961000       4.443000  
1 1 1 3  12 81  o 6.5400  2.1400 -0.3547000     4.280000  
1 1 1 3  12 82  o 6.7290  2.2150 0.4650000      4.431000  
1 1 1 3  12 83  o 6.5250  2.2300 -0.9284000     4.461000  
1 1 1 3  12 84  o 6.2820  2.1210 0.4158000      4.243000  
1 1 1 3  12 85  f 6.0520  2.0550 -0.7794000E-01 4.111000  
1 1 1 3  12 86  o 6.9530  2.2770 -2.619000      4.555000  
1 1 1 3  12 87  o 6.5290  2.1930 -0.3504000     4.386000  
1 1 1 3  12 88  o 5.6390  1.9590 0.3765000      3.918000  
1 1 1 3  12 89  o 5.2160  1.8280 -0.4180000     3.656000  
1 1 1 3  12 90  o 4.7140  1.6820 -0.8557000E-01 3.363000  
1 1 1 3  12 91  o 6.2510  2.0980 -2.132000      4.196000  
1 1 1 3  12 92  o 5.4840  1.9150 -0.3101000     3.831000  
1 1 1 3  12 93  o 5.0320  1.7570 -0.3510000     3.514000  
1 1 1 3  12 94  o 4.6410  1.6080 -1.421000      3.217000  
1 1 1 3  13 0   o 31.180  0.6340 0.000000       0.000000  
1 1 1 3  13 1   o 18.070  0.3576 -0.5890000E-01 0.7152000 
1 1 1 3  13 2   f 25.200  0.3787 0.4529000      0.7574000 
1 1 1 3  13 3   o 28.150  0.4126 0.4840000      0.8252000 
1 1 1 3  13 4   o 20.540  0.3331 -0.2245000     0.6661000 
1 1 1 3  13 5   o 35.990  0.5108 -0.1758000     1.022000  
1 1 1 3  13 6   o 22.290  0.3784 0.9087000E-01  0.7567000 
1 1 1 3  13 7   o 27.000  0.4007 -0.1686000     0.8014000 
1 1 1 3  13 8   o 33.800  0.4852 0.2852000      0.9704000 
1 1 1 3  13 9   o 37.880  0.5366 0.2142000      1.073000  
1 1 1 3  13 10  o 15.790  0.4005 -0.8644000     0.8011000 
1 1 1 3  13 11  o 54.830  0.7644 0.2781000      1.529000  
1 1 1 3  13 12  o 18.850  0.4244 1.967000       0.8489000 
1 1 1 3  13 13  o 25.990  0.3945 -0.3022000     0.7890000 
1 1 1 3  13 14  f 24.030  0.3763 -0.2384000E-02 0.7526000 
1 1 1 3  13 15  o 36.260  0.5206 0.1853000      1.041000  
1 1 1 3  13 16  o 19.020  0.3668 -0.1994000     0.7335000 
1 1 1 3  13 17  o 20.860  0.3523 0.2876000      0.7046000 
1 1 1 3  13 18  o 18.950  0.3459 0.2696000      0.6917000 
1 1 1 3  13 19  o 20.050  0.3549 -0.3336000     0.7097000 
1 1 1 3  13 20  o 56.120  0.7858 0.4440000      1.572000  
1 1 1 3  13 21  o 72.820  1.0130 0.5702000E-01  2.026000  
1 1 1 3  13 22  o 40.930  0.6342 -0.4068000     1.268000  
1 1 1 3  13 23  o 10.980  0.4774 0.1147000E-01  0.9548000 
1 1 1 3  13 24  o 54.710  0.8312 1.757000       1.662000  
1 1 1 3  13 25  o 33.430  0.5356 1.041000       1.071000  
1 1 1 3  13 26  o 37.960  0.6395 -0.4973000     1.279000  
1 1 1 3  13 27  o 29.540  0.5269 0.1660000      1.054000  
1 1 1 3  13 28  o 18.930  0.4501 -0.6728000     0.9002000 
1 1 1 3  13 29  o 12.270  0.5189 0.6562000      1.038000  
1 1 1 3  13 30  o 36.760  0.6260 -0.2152000     1.252000  
1 1 1 3  13 31  o 40.830  0.6859 -1.409000      1.372000  
1 1 1 3  13 32  o 24.640  0.4926 -0.2641000     0.9851000 
1 1 1 3  13 33  o 19.280  0.4843 -0.1270000     0.9686000 
1 1 1 3  13 34  o 10.220  0.6518 -0.6177000     1.304000  
1 1 1 3  13 35  o 39.020  0.6667 0.2504000      1.333000  
1 1 1 3  13 36  o 53.060  0.8731 -1.620000      1.746000  
1 1 1 3  13 37  o 32.690  0.5926 -0.6743000     1.185000  
1 1 1 3  13 38  o 27.210  0.6133 0.2783000      1.227000  
1 1 1 3  13 39  o 8.8510  0.9888 1.050000       1.978000  
1 1 1 3  13 40  o 23.090  0.6066 1.355000       1.213000  
1 1 1 3  13 41  o 41.130  0.8028 -1.402000      1.606000  
1 1 1 3  13 42  o 24.610  0.7538 -0.1339000     1.508000  
1 1 1 3  13 43  o 18.270  0.8232 0.1120000E-01  1.646000  
1 1 1 3  13 44  o 46.180  0.9824 0.5766000      1.965000  
1 1 1 3  13 45  o 38.830  0.8792 0.5030000      1.758000  
1 1 1 3  13 46  o 27.720  0.7853 0.1740000      1.571000  
1 1 1 3  13 47  o 11.820  1.1860 -1.202000      2.371000  
1 1 1 3  13 48  o 5.3800  1.5090 2.052000       3.017000  
1 1 1 3  13 49  o 10.460  1.4870 1.199000       2.975000  
1 1 1 3  13 50  o 6.2450  1.6820 0.1132000      3.365000  
1 1 1 3  13 51  o 32.900  1.0490 -0.8791000     2.098000  
1 1 1 3  13 52  o 10.020  1.6130 -1.471000      3.225000  
1 1 1 3  13 53  o 19.710  0.9555 1.838000       1.911000  
1 1 1 3  13 54  o 30.500  0.8653 0.9306000      1.731000  
1 1 1 3  13 55  o 8.2540  1.8730 -1.865000      3.745000  
1 1 1 3  13 56  o 17.760  1.1310 -2.715000      2.261000  
1 1 1 3  13 57  o 13.570  1.5350 1.850000       3.071000  
1 1 1 3  13 58  o 33.410  0.9284 -0.5044000     1.857000  
1 1 1 3  13 59  o 10.240  1.8360 4.337000       3.673000  
1 1 1 3  13 60  o 14.130  1.5570 0.7304000      3.114000  
1 1 1 3  13 61  o 6.4070  1.9060 0.6194000      3.812000  
1 1 1 3  13 62  o 9.7580  2.0690 -0.3574000     4.138000  
1 1 1 3  13 63  o 15.050  1.5300 -2.125000      3.059000  
1 1 1 3  13 64  f 7.1530  2.0520 -0.9129000     4.104000  
1 1 1 3  13 65  f 8.0970  1.9910 -5.125000      3.981000  
1 1 1 3  13 66  o 6.9040  2.0330 -1.445000      4.066000  
1 1 1 3  13 67  o 7.5830  2.3300 1.327000       4.661000  
1 1 1 3  13 68  o 9.7010  2.1430 -4.339000      4.286000  
1 1 1 3  13 69  o 8.5230  2.1160 -3.753000      4.232000  
1 1 1 3  13 70  o 8.5720  2.2610 -0.6640000     4.521000  
1 1 1 3  13 71  o 10.110  2.3020 -0.7400000     4.603000  
1 1 1 3  13 72  o 9.2390  2.3030 1.240000       4.605000  
1 1 1 3  13 73  o 7.5920  2.2600 -1.324000      4.520000  
1 1 1 3  13 74  o 9.7680  2.3370 3.702000       4.675000  
1 1 1 3  13 75  o 12.120  2.1850 7.252000       4.370000  
1 1 1 3  13 76  o 16.420  1.8420 1.419000       3.683000  
1 1 1 3  13 77  f 10.170  2.2970 3.885000       4.594000  
1 1 1 3  13 78  o 7.8680  2.3670 1.356000       4.733000  
1 1 1 3  13 79  o 9.3360  2.4010 -2.738000      4.803000  
1 1 1 3  13 80  o 6.6600  2.1670 1.450000       4.333000  
1 1 1 3  13 81  o 6.3310  2.1060 0.9983000      4.212000  
1 1 1 3  13 82  o 6.7770  2.1990 0.3490000      4.398000  
1 1 1 3  13 83  o 8.5150  2.4020 -0.3664000     4.804000  
1 1 1 3  13 84  o 6.0760  2.0180 1.204000       4.037000  
1 1 1 3  13 85  o 4.6420  1.6410 0.3074000      3.283000  
1 1 1 3  13 86  o 6.3360  2.1000 0.3793000      4.199000  
1 1 1 3  13 87  f 6.0720  2.0820 -0.7285000     4.163000  
1 1 1 3  13 88  f 5.6140  1.9580 0.1065000      3.917000  
1 1 1 3  13 89  o 5.6910  1.9830 0.1413000      3.966000  
1 1 1 3  13 90  o 5.3740  1.8880 -0.6890000E-01 3.776000  
1 1 1 3  13 91  o 4.3410  1.5650 0.9369000      3.130000  
1 1 1 3  13 92  o 4.9680  1.7210 -0.1825000     3.441000  
1 1 1 3  13 93  o 4.3480  1.5330 -0.5045000     3.066000  
1 1 1 3  14 0   o 13.630  0.4321 -0.000000      0.000000  
1 1 1 3  14 1   o 8.8880  0.4244 -0.5393000     0.8488000 
1 1 1 3  14 2   f 20.860  0.3368 0.9717000      0.6735000 
1 1 1 3  14 3   o 22.730  0.3575 -1.107000      0.7150000 
1 1 1 3  14 4   o 37.220  0.5282 0.6732000      1.056000  
1 1 1 3  14 5   o 20.620  0.3665 -0.3453000     0.7330000 
1 1 1 3  14 6   o 22.370  0.3561 0.5898000      0.7122000 
1 1 1 3  14 7   o 9.0160  0.4155 1.228000       0.8310000 
1 1 1 3  14 8   f 8.6760  0.3837 -0.3639000     0.7673000 
1 1 1 3  14 9   o 14.960  0.3425 0.8313000      0.6851000 
1 1 1 3  14 10  o 23.750  0.3715 0.3662000E-01  0.7430000 
1 1 1 3  14 11  o 29.980  0.4414 -0.6157000     0.8828000 
1 1 1 3  14 12  o 33.130  0.4820 1.023000       0.9640000 
1 1 1 3  14 13  o 18.150  0.3676 -1.510000      0.7352000 
1 1 1 3  14 14  o 23.870  0.3811 -0.8078000E-01 0.7621000 
1 1 1 3  14 15  o 32.320  0.4740 0.5361000      0.9479000 
1 1 1 3  14 16  o 15.410  0.4295 1.288000       0.8590000 
1 1 1 3  14 17  o 25.920  0.4078 -0.5327000     0.8157000 
1 1 1 3  14 18  o 43.100  0.6110 0.1906000      1.222000  
1 1 1 3  14 19  o 53.280  0.7462 0.5900000      1.492000  
1 1 1 3  14 20  o 19.090  0.4673 -1.772000      0.9346000 
1 1 1 3  14 21  o 36.940  0.5381 0.4175000      1.076000  
1 1 1 3  14 22  o 20.230  0.4295 -1.529000      0.8591000 
1 1 1 3  14 23  o 8.6810  0.4916 0.8385000      0.9832000 
1 1 1 3  14 24  o 23.870  0.4524 -2.350000      0.9049000 
1 1 1 3  14 25  o 13.450  0.5835 -5.288000      1.167000  
1 1 1 3  14 26  o 67.090  1.0130 0.1200000      2.026000  
1 1 1 3  14 27  o 21.890  0.5108 -0.5575000     1.022000  
1 1 1 3  14 28  o 52.130  0.8530 -1.172000      1.706000  
1 1 1 3  14 29  o 55.890  0.9086 -0.3294000     1.817000  
1 1 1 3  14 30  o 31.940  0.5685 -0.2252000     1.137000  
1 1 1 3  14 31  o 17.190  0.5236 -0.4446000     1.047000  
1 1 1 3  14 32  o 42.350  0.7093 0.8957000      1.419000  
1 1 1 3  14 33  o 18.870  0.6531 -0.1598000     1.306000  
1 1 1 3  14 34  o 52.780  0.8655 -1.518000      1.731000  
1 1 1 3  14 35  o 4.7520  1.1330 3.397000       2.266000  
1 1 1 3  14 36  o 46.220  0.7722 -0.4966000     1.544000  
1 1 1 3  14 37  o 5.2190  1.0700 2.632000       2.141000  
1 1 1 3  14 38  o 29.080  0.5691 -0.7995000     1.138000  
1 1 1 3  14 39  o 9.0220  0.8821 -0.1153000     1.764000  
1 1 1 3  14 40  o 49.220  0.8243 0.4666000E-01  1.649000  
1 1 1 3  14 41  o 32.040  0.6109 -1.447000      1.222000  
1 1 1 3  14 42  o 25.240  0.6445 1.377000       1.289000  
1 1 1 3  14 43  o 14.740  0.7852 -1.582000      1.570000  
1 1 1 3  14 44  o 11.010  1.0040 0.2504000      2.008000  
1 1 1 3  14 45  o 8.4220  1.2790 -1.584000      2.557000  
1 1 1 3  14 46  o 37.460  0.8586 -0.9384000E-02 1.717000  
1 1 1 3  14 47  o 29.520  0.7974 -0.6197000     1.595000  
1 1 1 3  14 48  o 15.960  1.0200 -1.933000      2.041000  
1 1 1 3  14 49  o 47.740  1.0290 -0.4483000     2.057000  
1 1 1 3  14 50  f 22.170  0.8784 -0.8414000     1.757000  
1 1 1 3  14 51  o 7.8690  1.6680 -3.849000      3.335000  
1 1 1 3  14 52  o 25.540  0.8553 1.758000       1.711000  
1 1 1 3  14 53  o 15.720  1.1910 0.7078000      2.382000  
1 1 1 3  14 54  o 12.010  1.5850 -2.197000      3.170000  
1 1 1 3  14 55  o 24.160  0.9551 1.255000       1.910000  
1 1 1 3  14 56  o 18.230  1.1180 -0.9297000     2.236000  
1 1 1 3  14 57  o 12.150  1.9590 5.090000       3.918000  
1 1 1 3  14 58  o 21.310  1.0770 -0.7697000     2.153000  
1 1 1 3  14 59  o 7.7260  2.0140 1.703000       4.027000  
1 1 1 3  14 60  o 7.4250  1.9560 3.183000       3.912000  
1 1 1 3  14 61  o 17.000  1.3950 1.437000       2.790000  
1 1 1 3  14 62  o 8.2900  2.0580 2.215000       4.117000  
1 1 1 3  14 63  o 12.730  1.8810 -2.347000      3.761000  
1 1 1 3  14 64  o 7.8120  2.1070 -2.599000      4.214000  
1 1 1 3  14 65  o 8.2180  2.1240 2.302000       4.248000  
1 1 1 3  14 66  o 16.970  1.5660 -3.071000      3.131000  
1 1 1 3  14 67  o 7.3150  2.1340 -1.017000      4.267000  
1 1 1 3  14 68  o 5.4620  1.8080 0.5357000      3.616000  
1 1 1 3  14 69  o 9.0810  2.2250 1.757000       4.449000  
1 1 1 3  14 70  o 6.3980  2.0040 -2.275000      4.007000  
1 1 1 3  14 71  o 7.1650  2.1680 -0.1672000     4.336000  
1 1 1 3  14 72  o 15.340  2.0210 -2.503000      4.042000  
1 1 1 3  14 73  o 10.310  2.3130 -4.398000      4.626000  
1 1 1 3  14 74  o 9.1780  2.6050 5.779000       5.210000  
1 1 1 3  14 75  o 5.4330  1.8350 0.9878000      3.670000  
1 1 1 3  14 76  o 9.4070  2.3320 0.2332000      4.664000  
1 1 1 3  14 77  o 6.5930  2.0900 -0.2318000     4.180000  
1 1 1 3  14 78  o 5.6300  1.8880 0.5484000      3.776000  
1 1 1 3  14 79  o 4.9400  1.7090 0.4296000      3.419000  
1 1 1 3  14 80  o 6.9570  2.1530 0.1266000E-01  4.307000  
1 1 1 3  14 81  f 7.3000  2.1970 -1.391000      4.394000  
1 1 1 3  14 82  o 6.0470  2.0060 -0.5100000     4.011000  
1 1 1 3  14 83  o 6.3140  2.0670 0.9406000      4.135000  
1 1 1 3  14 84  o 5.0480  1.7400 -0.8544000     3.479000  
1 1 1 3  14 85  o 5.6840  1.9420 2.777000       3.884000  
1 1 1 3  14 86  o 5.9060  1.9840 0.7463000      3.969000  
1 1 1 3  14 87  o 5.3240  1.8190 -1.003000      3.638000  
1 1 1 3  14 88  o 4.9540  1.7180 -0.2547000     3.435000  
1 1 1 3  14 89  o 5.9060  1.9500 -0.2469000     3.901000  
1 1 1 3  14 90  o 4.7680  1.6410 -0.7221000     3.283000  
1 1 1 3  14 91  o 4.3830  1.5530 0.5550000      3.106000  
1 1 1 3  14 92  o 4.1730  1.4840 0.7051000      2.968000  
1 1 1 3  15 0   o 20.990  0.7014 0.000000       0.000000  
1 1 1 3  15 1   o 27.180  0.4072 -0.5477000     0.8145000 
1 1 1 3  15 2   o 10.510  0.3620 0.5052000      0.7240000 
1 1 1 3  15 3   f 23.910  0.4019 -1.046000      0.8038000 
1 1 1 3  15 4   o 38.720  0.5502 -0.4921000     1.100000  
1 1 1 3  15 5   o 20.790  0.3739 0.8128000      0.7478000 
1 1 1 3  15 6   f 21.280  0.3538 0.7029000      0.7077000 
1 1 1 3  15 7   o 51.070  0.7131 0.4393000      1.426000  
1 1 1 3  15 8   o 21.660  0.4167 1.368000       0.8334000 
1 1 1 3  15 9   o 34.600  0.4992 0.5259000      0.9984000 
1 1 1 3  15 10  o 17.470  0.3867 0.6186000      0.7734000 
1 1 1 3  15 11  o 8.1550  0.5353 -1.852000      1.071000  
1 1 1 3  15 12  o 10.370  0.3892 0.7195000      0.7784000 
1 1 1 3  15 13  o 21.990  0.3671 0.4899000      0.7342000 
1 1 1 3  15 14  o 29.820  0.4467 0.1366000      0.8934000 
1 1 1 3  15 15  o 16.310  0.4030 0.7120000      0.8059000 
1 1 1 3  15 16  o 23.470  0.3853 0.4709000      0.7706000 
1 1 1 3  15 17  o 41.650  0.5939 1.280000       1.188000  
1 1 1 3  15 18  o 59.430  0.8295 -0.5573000E-01 1.659000  
1 1 1 3  15 19  o 41.060  0.5889 0.7500000      1.178000  
1 1 1 3  15 20  o 16.850  0.4055 -0.3193000     0.8109000 
1 1 1 3  15 21  o 25.500  0.4147 0.8722000E-01  0.8294000 
1 1 1 3  15 22  o 49.050  0.6937 0.5028000      1.387000  
1 1 1 3  15 23  o 18.390  0.4350 0.3018000      0.8699000 
1 1 1 3  15 24  o 30.160  0.4637 -0.4792000     0.9274000 
1 1 1 3  15 25  o 9.9510  0.5876 -0.6891000     1.175000  
1 1 1 3  15 26  o 26.150  0.4326 0.3738000      0.8653000 
1 1 1 3  15 27  o 45.820  0.7073 0.8955000      1.415000  
1 1 1 3  15 28  o 60.500  0.9168 -0.1951000     1.834000  
1 1 1 3  15 29  o 22.610  0.6223 0.6313000      1.245000  
1 1 1 3  15 30  o 18.340  0.4776 -1.091000      0.9552000 
1 1 1 3  15 31  o 26.140  0.5142 -0.6095000     1.028000  
1 1 1 3  15 32  o 34.530  0.6086 -0.2742000     1.217000  
1 1 1 3  15 33  o 40.750  0.7722 0.6192000      1.544000  
1 1 1 3  15 34  f 57.660  0.9425 -0.2245000     1.885000  
1 1 1 3  15 35  o 18.790  0.5141 0.2861000E-04  1.028000  
1 1 1 3  15 36  o 38.660  0.6709 -0.4472000E-01 1.342000  
1 1 1 3  15 37  o 47.140  0.7919 -0.6161000     1.584000  
1 1 1 3  15 38  o 32.170  0.6042 0.1164000      1.208000  
1 1 1 3  15 39  o 23.790  0.5388 -0.6354000     1.078000  
1 1 1 3  15 40  o 28.250  0.6619 -1.980000      1.324000  
1 1 1 3  15 41  o 23.460  0.5460 0.6992000      1.092000  
1 1 1 3  15 42  o 26.700  0.5652 -0.9770000     1.130000  
1 1 1 3  15 43  o 12.590  0.7118 0.9124000      1.424000  
1 1 1 3  15 44  o 9.0580  0.9749 -2.069000      1.950000  
1 1 1 3  15 45  o 51.070  0.8613 -1.495000      1.723000  
1 1 1 3  15 46  o 15.250  0.8613 0.1323000      1.723000  
1 1 1 3  15 47  o 10.330  1.1910 -0.1071000     2.383000  
1 1 1 3  15 48  o 11.040  1.2060 -2.398000      2.411000  
1 1 1 3  15 49  o 25.020  0.7383 -1.090000      1.477000  
1 1 1 3  15 50  o 10.830  1.5890 2.447000       3.178000  
1 1 1 3  15 51  o 9.1970  1.7490 2.802000       3.499000  
1 1 1 3  15 52  o 24.630  0.9055 -0.5449000     1.811000  
1 1 1 3  15 53  o 27.260  0.8883 -0.3842000     1.777000  
1 1 1 3  15 54  o 9.0050  1.8460 2.439000       3.691000  
1 1 1 3  15 55  o 7.7520  1.9400 -0.4429000     3.880000  
1 1 1 3  15 56  o 27.990  0.9569 -1.623000      1.914000  
1 1 1 3  15 57  o 17.480  1.2550 2.523000       2.511000  
1 1 1 3  15 58  o 12.950  1.7490 2.230000       3.498000  
1 1 1 3  15 59  o 17.890  1.2870 -2.073000      2.575000  
1 1 1 3  15 60  o 9.3610  2.0060 -3.032000      4.012000  
1 1 1 3  15 61  o 5.9690  1.8620 1.359000       3.723000  
1 1 1 3  15 62  o 10.810  1.9830 0.8685000      3.966000  
1 1 1 3  15 63  o 10.660  2.3280 -4.901000      4.656000  
1 1 1 3  15 64  o 7.2550  2.0530 2.343000       4.106000  
1 1 1 3  15 65  o 13.260  1.8330 -3.445000      3.666000  
1 1 1 3  15 66  o 11.080  2.1790 0.6672000      4.357000  
1 1 1 3  15 67  f 8.7610  2.2140 -0.3394000     4.428000  
1 1 1 3  15 68  o 8.5600  2.2360 -0.7717000     4.471000  
1 1 1 3  15 69  o 7.2810  2.1100 0.1708000      4.220000  
1 1 1 3  15 70  o 6.7990  2.0930 0.4213000E-01  4.186000  
1 1 1 3  15 71  o 9.7920  2.2040 4.651000       4.409000  
1 1 1 3  15 72  o 7.8140  2.2550 -0.1855000     4.511000  
1 1 1 3  15 73  o 6.0330  1.9470 -1.893000      3.894000  
1 1 1 3  15 74  o 11.830  2.2670 -1.330000      4.534000  
1 1 1 3  15 75  o 6.2780  1.9900 -2.630000      3.979000  
1 1 1 3  15 76  o 8.0400  2.2600 -0.7460000     4.520000  
1 1 1 3  15 77  o 5.8470  1.9260 0.3105000      3.851000  
1 1 1 3  15 78  o 8.9630  2.3480 -2.243000      4.695000  
1 1 1 3  15 79  o 7.3790  2.1880 -1.273000      4.377000  
1 1 1 3  15 80  o 5.1830  1.7510 0.6669000      3.503000  
1 1 1 3  15 81  o 5.4020  1.7950 1.018000       3.591000  
1 1 1 3  15 82  o 6.7140  2.2130 0.8705000      4.427000  
1 1 1 3  15 83  o 4.8240  1.7020 0.7292000      3.404000  
1 1 1 3  15 84  o 4.5590  1.5820 0.8762000E-01  3.165000  
1 1 1 3  15 85  o 5.6940  1.8600 -0.3618000     3.721000  
1 1 1 3  15 86  o 5.9210  1.9810 1.878000       3.961000  
1 1 1 3  15 87  o 4.5550  1.6030 -0.4709000     3.207000  
1 1 1 3  15 88  o 4.9550  1.6970 1.359000       3.395000  
1 1 1 3  15 89  f 4.2130  1.4760 0.3471000      2.951000  
1 1 1 3  15 90  o 4.1830  1.4850 0.5137000      2.969000  
1 1 1 3  16 0   o 9.1860  0.6955 -0.000000      0.000000  
1 1 1 3  16 1   o 23.670  0.3773 0.4051000      0.7546000 
1 1 1 3  16 2   f 25.950  0.4001 1.778000       0.8002000 
1 1 1 3  16 3   o 37.520  0.5365 0.6456000      1.073000  
1 1 1 3  16 4   o 46.900  0.6590 -1.301000      1.318000  
1 1 1 3  16 5   o 26.350  0.4696 0.9092000E-01  0.9393000 
1 1 1 3  16 6   o 21.140  0.5268 9.787000       1.054000  
1 1 1 3  16 7   o 65.230  0.9063 0.6008000      1.813000  
1 1 1 3  16 8   o 20.310  0.4589 0.8560000      0.9179000 
1 1 1 3  16 9   f 26.220  0.4070 0.2646000      0.8140000 
1 1 1 3  16 10  o 17.160  0.4074 0.8809000      0.8148000 
1 1 1 3  16 11  f 25.520  0.4021 0.1886000      0.8042000 
1 1 1 3  16 12  o 19.160  0.4658 1.864000       0.9316000 
1 1 1 3  16 13  o 42.800  0.6088 -0.4393000     1.218000  
1 1 1 3  16 14  o 47.580  0.6723 0.2121000      1.345000  
1 1 1 3  16 15  o 18.210  0.4857 0.2333000      0.9714000 
1 1 1 3  16 16  o 36.510  0.5322 0.1078000      1.064000  
1 1 1 3  16 17  o 45.150  0.6419 0.7597000      1.284000  
1 1 1 3  16 18  o 38.350  0.6476 0.9820000      1.295000  
1 1 1 3  16 19  o 40.120  0.5796 -0.2511000     1.159000  
1 1 1 3  16 20  o 45.360  0.6490 -0.2178000     1.298000  
1 1 1 3  16 21  o 49.210  0.6964 0.9077000E-01  1.393000  
1 1 1 3  16 22  o 23.190  0.4724 0.4995000      0.9448000 
1 1 1 3  16 23  o 9.3240  0.6388 0.2869000      1.278000  
1 1 1 3  16 24  o 51.450  0.7267 0.2929000      1.453000  
1 1 1 3  16 25  o 12.750  0.4958 0.1014000      0.9916000 
1 1 1 3  16 26  o 42.530  0.6146 -0.4111000     1.229000  
1 1 1 3  16 27  o 58.350  0.8202 1.032000       1.640000  
1 1 1 3  16 28  o 28.020  0.5332 0.7113000E-01  1.066000  
1 1 1 3  16 29  o 39.950  0.7639 2.306000       1.528000  
1 1 1 3  16 30  o 18.180  0.5422 0.5290000      1.084000  
1 1 1 3  16 31  o 16.140  0.5156 -0.4408000E-01 1.031000  
1 1 1 3  16 32  o 23.090  0.5092 -0.5496000     1.018000  
1 1 1 3  16 33  o 31.460  0.5760 -0.1396000     1.152000  
1 1 1 3  16 34  o 20.670  0.5142 -0.5690000     1.028000  
1 1 1 3  16 35  o 28.330  0.6073 -0.8409000     1.215000  
1 1 1 3  16 36  f 32.390  0.5992 0.4644000      1.198000  
1 1 1 3  16 37  o 22.100  0.5307 -0.8730000E-01 1.061000  
1 1 1 3  16 38  f 17.400  0.7631 -0.3114000     1.526000  
1 1 1 3  16 39  o 51.140  0.8539 -0.3534000     1.708000  
1 1 1 3  16 40  o 20.570  0.5685 0.5619000      1.137000  
1 1 1 3  16 41  o 21.390  0.6684 -2.732000      1.337000  
1 1 1 3  16 42  o 19.140  0.5775 1.450000       1.155000  
1 1 1 3  16 43  o 36.250  0.6664 0.3181000      1.333000  
1 1 1 3  16 44  o 13.300  0.7376 0.5082000      1.475000  
1 1 1 3  16 45  o 32.790  0.6421 -0.7106000E-01 1.284000  
1 1 1 3  16 46  o 12.170  0.8065 -0.6936000     1.613000  
1 1 1 3  16 47  o 23.840  0.6229 -0.2195000     1.246000  
1 1 1 3  16 48  o 37.300  0.7009 -0.9881000     1.402000  
1 1 1 3  16 49  o 4.6660  1.3260 0.1807000      2.652000  
1 1 1 3  16 50  o 15.710  0.9814 -1.302000      1.963000  
1 1 1 3  16 51  o 23.080  0.8040 -0.9102000E-01 1.608000  
1 1 1 3  16 52  o 30.530  0.8017 -1.424000      1.603000  
1 1 1 3  16 53  o 29.260  0.7998 1.058000       1.600000  
1 1 1 3  16 54  o 12.520  1.6370 -2.961000      3.273000  
1 1 1 3  16 55  o 12.330  1.6810 0.7026000      3.363000  
1 1 1 3  16 56  o 25.480  1.0070 -1.466000      2.014000  
1 1 1 3  16 57  o 14.870  1.4840 -3.767000      2.969000  
1 1 1 3  16 58  o 17.590  1.3060 -2.133000      2.613000  
1 1 1 3  16 59  o 14.280  1.6520 -3.710000      3.303000  
1 1 1 3  16 60  o 8.1900  2.0690 0.3484000      4.138000  
1 1 1 3  16 61  o 10.350  2.0330 0.4307000      4.066000  
1 1 1 3  16 62  o 5.9910  1.8410 -2.135000      3.682000  
1 1 1 3  16 63  o 8.0650  2.1020 -0.4365000     4.203000  
1 1 1 3  16 64  o 6.0080  1.8810 -0.7524000     3.762000  
1 1 1 3  16 65  o 5.6810  1.8430 -0.2056000     3.686000  
1 1 1 3  16 66  o 8.0340  2.1150 2.173000       4.230000  
1 1 1 3  16 67  o 9.0930  2.1400 -4.812000      4.279000  
1 1 1 3  16 68  o 10.420  2.2550 1.836000       4.510000  
1 1 1 3  16 69  o 9.3520  2.1210 4.207000       4.242000  
1 1 1 3  16 70  o 12.090  2.1900 -2.439000      4.380000  
1 1 1 3  16 71  o 7.1730  2.2550 -0.3483000     4.510000  
1 1 1 3  16 72  o 9.7560  2.2610 2.368000       4.521000  
1 1 1 3  16 73  o 6.3560  2.0190 -1.097000      4.039000  
1 1 1 3  16 74  o 9.3430  2.3550 0.7366000      4.710000  
1 1 1 3  16 75  o 5.9030  1.9190 -0.4230000     3.837000  
1 1 1 3  16 76  o 5.8390  1.9080 -1.528000      3.815000  
1 1 1 3  16 77  o 7.6380  2.1750 1.740000       4.351000  
1 1 1 3  16 78  o 5.4990  1.8290 0.3628000E-01  3.658000  
1 1 1 3  16 79  o 7.6300  2.1910 0.7933000      4.382000  
1 1 1 3  16 80  f 5.2280  1.7500 0.1323000      3.501000  
1 1 1 3  16 81  o 5.6770  1.8630 0.3220000      3.727000  
1 1 1 3  16 82  o 5.7990  1.8960 -0.4017000     3.791000  
1 1 1 3  16 83  o 5.3890  1.8070 0.3130000      3.614000  
1 1 1 3  16 84  o 5.3980  1.7880 0.8321000      3.576000  
1 1 1 3  16 85  o 5.1770  1.7070 2.328000       3.414000  
1 1 1 3  16 86  f 4.1380  1.4590 -1.231000      2.917000  
1 1 1 3  16 87  o 4.3590  1.4860 1.334000       2.971000  
1 1 1 3  16 88  o 5.2700  1.5670 2.185000       3.135000  
1 1 1 3  16 89  o 4.5120  2.1910 ?              ?         
1 1 1 3  17 0   o 64.830  1.2740 0.000000       0.000000  
1 1 1 3  17 1   o 28.620  0.5586 -3.607000      1.117000  
1 1 1 3  17 2   o 23.160  0.4142 0.5117000E-01  0.8284000 
1 1 1 3  17 3   o 33.750  0.4938 0.1432000      0.9876000 
1 1 1 3  17 4   o 25.440  0.4725 3.199000       0.9449000 
1 1 1 3  17 5   o 74.320  1.0320 0.1917000      2.063000  
1 1 1 3  17 6   f 35.800  0.6804 -1.863000      1.361000  
1 1 1 3  17 7   o 13.720  0.4724 -2.526000      0.9448000 
1 1 1 3  17 8   o 31.610  0.5454 -0.3434000     1.091000  
1 1 1 3  17 9   o 66.660  0.9270 0.7500000      1.854000  
1 1 1 3  17 10  o 49.210  0.8026 0.8885000      1.605000  
1 1 1 3  17 11  o 36.190  0.5291 0.4774000      1.058000  
1 1 1 3  17 12  o 28.000  0.5046 -0.1311000     1.009000  
1 1 1 3  17 13  o 13.890  0.4541 1.652000       0.9082000 
1 1 1 3  17 14  o 23.860  0.4011 0.1987000      0.8022000 
1 1 1 3  17 15  o 35.170  0.5180 0.6270000      1.036000  
1 1 1 3  17 16  o 18.880  0.4405 0.4429000      0.8810000 
1 1 1 3  17 17  o 32.670  0.4915 -0.4308000     0.9829000 
1 1 1 3  17 18  o 11.900  0.6074 1.991000       1.215000  
1 1 1 3  17 19  o 29.340  0.4601 0.3629000      0.9201000 
1 1 1 3  17 20  o 39.620  0.5763 -0.8630000     1.153000  
1 1 1 3  17 21  o 34.830  0.6038 -0.2928000     1.208000  
1 1 1 3  17 22  o 40.070  0.5874 -1.167000      1.175000  
1 1 1 3  17 23  o 58.270  0.8201 -0.8696000     1.640000  
1 1 1 3  17 24  o 59.560  0.8385 2.061000       1.677000  
1 1 1 3  17 25  o 57.960  0.8174 -0.8804000     1.635000  
1 1 1 3  17 26  o 18.110  0.4903 0.4964000      0.9806000 
1 1 1 3  17 27  o 26.980  0.4532 0.2233000      0.9063000 
1 1 1 3  17 28  o 20.640  0.4168 -0.2132000     0.8336000 
1 1 1 3  17 29  o 7.4440  0.8436 0.1916000      1.687000  
1 1 1 3  17 30  o 19.940  0.4624 -1.274000      0.9248000 
1 1 1 3  17 31  o 51.530  0.7932 0.7341000      1.586000  
1 1 1 3  17 32  f 38.020  0.6623 0.6412000      1.325000  
1 1 1 3  17 33  o 11.350  0.8297 -1.860000      1.659000  
1 1 1 3  17 34  o 31.720  0.5889 -0.7378000     1.178000  
1 1 1 3  17 35  o 12.010  0.6521 0.7721000      1.304000  
1 1 1 3  17 36  o 5.1500  1.2140 0.7758000      2.427000  
1 1 1 3  17 37  o 4.7070  1.2470 0.9585000      2.493000  
1 1 1 3  17 38  o 14.920  0.6411 1.053000       1.282000  
1 1 1 3  17 39  o 53.440  0.8932 -0.7311000     1.786000  
1 1 1 3  17 40  o 25.120  0.5735 -0.2963000E-01 1.147000  
1 1 1 3  17 41  o 21.270  0.5819 -0.2642000     1.164000  
1 1 1 3  17 42  o 29.840  0.6107 0.6360000      1.221000  
1 1 1 3  17 43  o 41.240  0.7331 -0.9178000     1.466000  
1 1 1 3  17 44  o 14.000  0.7537 -0.3538000     1.507000  
1 1 1 3  17 45  o 16.950  0.6601 -0.1717000     1.320000  
1 1 1 3  17 46  o 9.2080  1.0770 -0.5863000     2.153000  
1 1 1 3  17 47  o 16.840  0.6934 0.3119000      1.387000  
1 1 1 3  17 48  o 22.750  0.6296 -0.4981000     1.259000  
1 1 1 3  17 49  o 37.660  0.7183 0.4346000      1.437000  
1 1 1 3  17 50  o 13.840  0.8299 -0.1637000     1.660000  
1 1 1 3  17 51  o 3.7460  1.2130 -0.2832000     2.426000  
1 1 1 3  17 52  o 24.740  0.6723 -1.085000      1.345000  
1 1 1 3  17 53  o 4.6210  1.3760 -0.7768000     2.752000  
1 1 1 3  17 54  o 31.520  0.7031 0.6443000      1.406000  
1 1 1 3  17 55  o 9.1950  1.5300 -4.731000      3.061000  
1 1 1 3  17 56  o 10.260  1.5950 0.8715000      3.190000  
1 1 1 3  17 57  o 20.450  1.0140 -1.902000      2.029000  
1 1 1 3  17 58  o 14.220  1.6600 -5.444000      3.319000  
1 1 1 3  17 59  o 20.190  1.2140 0.6441000      2.428000  
1 1 1 3  17 60  o 5.6750  1.8170 -0.1054000     3.634000  
1 1 1 3  17 61  o 31.290  1.0330 -0.6282000     2.066000  
1 1 1 3  17 62  f 7.4610  2.0760 0.3969000      4.151000  
1 1 1 3  17 63  o 17.930  1.4700 1.204000       2.939000  
1 1 1 3  17 64  o 6.0170  1.8880 1.306000       3.777000  
1 1 1 3  17 65  o 6.9300  2.0540 -0.4680000     4.108000  
1 1 1 3  17 66  o 12.870  1.9790 -4.453000      3.958000  
1 1 1 3  17 67  o 10.040  2.1050 -4.629000      4.211000  
1 1 1 3  17 68  o 7.6850  2.1290 1.422000       4.258000  
1 1 1 3  17 69  o 6.7710  2.0400 0.3093000E-01  4.081000  
1 1 1 3  17 70  o 5.8000  1.8730 -0.6950000     3.745000  
1 1 1 3  17 71  o 8.7870  2.1730 2.333000       4.346000  
1 1 1 3  17 72  o 6.3850  1.9890 1.672000       3.977000  
1 1 1 3  17 73  o 6.2370  1.9520 2.848000       3.904000  
1 1 1 3  17 74  o 6.3240  2.0190 0.7624000      4.038000  
1 1 1 3  17 75  o 5.6810  1.8710 0.4925000      3.742000  
1 1 1 3  17 76  o 5.6390  1.8280 -2.194000      3.656000  
1 1 1 3  17 77  o 5.4310  1.7920 -0.4340000     3.584000  
1 1 1 3  17 78  o 6.8750  2.2000 -5.046000      4.399000  
1 1 1 3  17 79  o 6.0700  2.0150 -0.5924000     4.030000  
1 1 1 3  17 80  o 4.9620  1.6830 0.8224000      3.366000  
1 1 1 3  17 81  o 6.0000  1.9140 0.4163000      3.828000  
1 1 1 3  17 82  o 6.0510  1.9230 -0.2593000     3.846000  
1 1 1 3  17 83  o 4.7820  1.6260 0.9555000      3.251000  
1 1 1 3  17 84  o 3.9450  1.3950 0.1591000E-01  2.789000  
1 1 1 3  17 85  o 3.7610  1.3310 0.1361000      2.661000  
1 1 1 3  17 86  o 4.3500  1.4490 -0.8434000     2.899000  
1 1 1 3  17 87  f 4.1610  1.4650 -0.1705000     2.930000  
1 1 1 3  18 0   o 37.290  0.7728 -0.000000      0.000000  
1 1 1 3  18 1   o 31.470  0.5141 0.7505000E-01  1.028000  
1 1 1 3  18 2   o 35.160  0.5180 0.5273000      1.036000  
1 1 1 3  18 3   f 43.390  0.7748 3.165000       1.550000  
1 1 1 3  18 4   o 92.860  1.2910 -0.5422000     2.581000  
1 1 1 3  18 5   o 35.300  0.6826 -2.004000      1.365000  
1 1 1 3  18 6   o 49.080  0.6958 -0.4675000E-01 1.392000  
1 1 1 3  18 7   o 22.710  0.5332 7.236000       1.066000  
1 1 1 3  18 8   o 33.560  0.5442 2.187000       1.088000  
1 1 1 3  18 9   f 57.470  0.8058 -1.271000      1.612000  
1 1 1 3  18 10  o 19.350  0.5610 -1.074000      1.122000  
1 1 1 3  18 11  o 10.740  0.4752 -0.5295000     0.9504000 
1 1 1 3  18 12  o 7.0380  0.6935 -0.7999000     1.387000  
1 1 1 3  18 13  o 12.180  0.5813 3.026000       1.163000  
1 1 1 3  18 14  o 40.130  0.5831 1.633000       1.166000  
1 1 1 3  18 15  o 33.970  0.5115 0.7315000      1.023000  
1 1 1 3  18 16  o 27.100  0.5070 -1.130000      1.014000  
1 1 1 3  18 17  o 25.700  0.4317 0.8411000      0.8634000 
1 1 1 3  18 18  o 27.380  0.4491 -0.7063000     0.8982000 
1 1 1 3  18 19  o 38.340  0.5639 -0.1063000     1.128000  
1 1 1 3  18 20  o 51.890  0.7368 1.163000       1.474000  
1 1 1 3  18 21  o 45.060  0.6511 -0.7538000     1.302000  
1 1 1 3  18 22  o 22.410  0.5540 -4.985000      1.108000  
1 1 1 3  18 23  o 23.130  0.4179 0.3312000E-01  0.8357000 
1 1 1 3  18 24  o 23.940  0.4640 -1.476000      0.9280000 
1 1 1 3  18 25  o 18.890  0.5000 1.931000       0.9999000 
1 1 1 3  18 26  o 44.650  0.6447 0.3215000      1.289000  
1 1 1 3  18 27  o 7.7790  0.9222 -1.735000      1.844000  
1 1 1 3  18 28  o 36.430  0.5470 0.2055000E-01  1.094000  
1 1 1 3  18 29  o 10.430  0.6449 1.385000       1.290000  
1 1 1 3  18 30  o 42.860  0.6275 0.1042000      1.255000  
1 1 1 3  18 31  o 39.450  0.6379 0.1018000      1.276000  
1 1 1 3  18 32  f 23.000  0.4931 0.6636000      0.9862000 
1 1 1 3  18 33  o 7.6280  1.0550 -0.1107000E-01 2.110000  
1 1 1 3  18 34  o 29.830  0.5816 -0.6951000     1.163000  
1 1 1 3  18 35  o 44.060  0.7547 -0.2800000     1.509000  
1 1 1 3  18 36  o 10.880  0.8186 2.370000       1.637000  
1 1 1 3  18 37  o 44.450  0.7657 -0.2087000     1.531000  
1 1 1 3  18 38  o 8.7000  0.9912 3.429000       1.982000  
1 1 1 3  18 39  f 12.440  0.7582 0.9405000      1.516000  
1 1 1 3  18 40  f 23.830  0.5830 -0.5901000     1.166000  
1 1 1 3  18 41  o 13.330  0.7324 -1.129000      1.465000  
1 1 1 3  18 42  o 6.9030  1.3280 0.1297000      2.657000  
1 1 1 3  18 43  o 34.860  0.6669 -0.3567000E-01 1.334000  
1 1 1 3  18 44  o 22.790  0.6135 0.1583000E-01  1.227000  
1 1 1 3  18 45  o 9.3960  1.0670 1.449000       2.135000  
1 1 1 3  18 46  o 13.080  0.8361 0.7414000E-01  1.672000  
1 1 1 3  18 47  o 23.340  0.6905 0.7087000      1.381000  
1 1 1 3  18 48  o 23.260  0.6437 -0.2426000     1.287000  
1 1 1 3  18 49  o 14.330  0.8129 -0.1578000     1.626000  
1 1 1 3  18 50  o 16.170  0.7697 0.9975000E-01  1.539000  
1 1 1 3  18 51  o 15.570  0.8100 -0.1096000E-01 1.620000  
1 1 1 3  18 52  o 28.790  0.6821 -0.6318000     1.364000  
1 1 1 3  18 53  o 4.5890  1.3490 -1.736000      2.698000  
1 1 1 3  18 54  o 17.920  0.7805 2.085000       1.561000  
1 1 1 3  18 55  o 5.1670  1.4660 -0.3234000     2.931000  
1 1 1 3  18 56  o 20.920  0.7494 -1.597000      1.499000  
1 1 1 3  18 57  o 26.960  0.7201 -0.1749000     1.440000  
1 1 1 3  18 58  o 17.360  0.8120 -0.5367000     1.624000  
1 1 1 3  18 59  o 25.350  0.9118 -0.8019000     1.824000  
1 1 1 3  18 60  o 5.2140  1.6130 3.339000       3.225000  
1 1 1 3  18 61  o 5.6040  1.6880 2.772000       3.375000  
1 1 1 3  18 62  o 6.6780  1.5750 -2.184000      3.150000  
1 1 1 3  18 63  o 18.420  1.3840 3.186000       2.768000  
1 1 1 3  18 64  o 7.6550  2.0700 1.865000       4.141000  
1 1 1 3  18 65  o 8.1260  2.1020 -2.393000      4.204000  
1 1 1 3  18 66  o 6.8930  2.0030 0.7558000      4.005000  
1 1 1 3  18 67  o 5.6260  1.8040 -0.6646000     3.607000  
1 1 1 3  18 68  o 6.5780  1.9680 -1.120000      3.936000  
1 1 1 3  18 69  o 6.3260  1.9480 -0.5225000     3.895000  
1 1 1 3  18 70  o 5.2850  1.7570 0.4254000      3.513000  
1 1 1 3  18 71  o 8.0870  2.1050 -4.573000      4.211000  
1 1 1 3  18 72  o 5.5430  1.8180 0.9506000      3.636000  
1 1 1 3  18 73  o 5.9380  1.8940 -2.402000      3.789000  
1 1 1 3  18 74  o 5.1730  1.7270 0.6920000      3.454000  
1 1 1 3  18 75  o 5.6280  1.8380 -0.5172000     3.676000  
1 1 1 3  18 76  o 5.3920  1.7710 -2.527000      3.542000  
1 1 1 3  18 77  o 6.0920  1.9240 1.075000       3.849000  
1 1 1 3  18 78  f 5.2930  1.7660 1.098000       3.531000  
1 1 1 3  18 79  o 5.0210  1.7030 0.3725000      3.407000  
1 1 1 3  18 80  o 6.9710  2.0620 -0.9677000     4.125000  
1 1 1 3  18 81  o 4.2250  1.4810 -0.1341000     2.962000  
1 1 1 3  18 82  o 5.2790  1.7460 -0.6779000     3.492000  
1 1 1 3  18 83  o 4.1720  1.4400 0.1501000      2.879000  
1 1 1 3  18 84  o 4.1440  1.3880 -0.2756000     2.776000  
1 1 1 3  18 85  o 4.4760  1.5170 0.3732000      3.035000  
1 1 1 3  19 0   o 82.550  1.6200 0.000000       0.000000  
1 1 1 3  19 1   o 56.920  1.1400 -4.277000      2.279000  
1 1 1 3  19 2   o 57.650  0.8119 4.517000       1.624000  
1 1 1 3  19 3   o 65.060  0.9125 -2.611000      1.825000  
1 1 1 3  19 4   o 26.580  0.5155 -7.153000      1.031000  
1 1 1 3  19 5   f 12.900  0.4510 0.1200000      0.9019000 
1 1 1 3  19 6   o 25.520  0.5438 -0.3412000     1.088000  
1 1 1 3  19 7   o 61.360  0.8582 0.7637000      1.716000  
1 1 1 3  19 8   o 36.360  0.7068 5.055000       1.414000  
1 1 1 3  19 9   o 35.130  0.5212 0.1909000      1.042000  
1 1 1 3  19 10  o 18.300  0.4682 -3.056000      0.9363000 
1 1 1 3  19 11  o 19.590  0.4326 0.8786000      0.8653000 
1 1 1 3  19 12  o 41.500  0.5985 0.3320000      1.197000  
1 1 1 3  19 13  o 14.960  0.5031 -4.799000      1.006000  
1 1 1 3  19 14  o 19.200  0.4628 2.760000       0.9257000 
1 1 1 3  19 15  o 15.330  0.4973 -3.484000      0.9945000 
1 1 1 3  19 16  o 52.140  0.7382 -0.6480000     1.476000  
1 1 1 3  19 17  o 24.180  0.5546 0.7623000      1.109000  
1 1 1 3  19 18  o 39.650  0.5810 1.896000       1.162000  
1 1 1 3  19 19  o 39.750  0.6300 0.5475000      1.260000  
1 1 1 3  19 20  o 25.680  0.5146 2.761000       1.029000  
1 1 1 3  19 21  o 31.910  0.4958 -0.1514000     0.9915000 
1 1 1 3  19 22  o 25.770  0.5225 -2.503000      1.045000  
1 1 1 3  19 23  f 53.350  0.7565 1.251000       1.513000  
1 1 1 3  19 24  f 44.170  0.6943 0.9633000      1.389000  
1 1 1 3  19 25  o 9.1180  0.8059 -1.455000      1.612000  
1 1 1 3  19 26  o 10.630  0.5808 -0.4152000     1.162000  
1 1 1 3  19 27  o 13.760  0.5080 1.921000       1.016000  
1 1 1 3  19 28  o 47.130  0.6835 0.8675000E-01  1.367000  
1 1 1 3  19 29  o 25.500  0.4996 -0.6901000     0.9991000 
1 1 1 3  19 30  f 11.400  0.5783 0.2705000E-01  1.157000  
1 1 1 3  19 31  o 15.230  0.4875 -0.9384000     0.9750000 
1 1 1 3  19 32  o 23.860  0.4964 -0.1341000     0.9929000 
1 1 1 3  19 33  o 17.300  0.5331 -0.8231000     1.066000  
1 1 1 3  19 34  o 12.960  0.7005 -0.9289000     1.401000  
1 1 1 3  19 35  o 17.290  0.5973 -1.146000      1.195000  
1 1 1 3  19 36  o 32.720  0.6292 0.1290000      1.258000  
1 1 1 3  19 37  o 13.190  0.7496 2.804000       1.499000  
1 1 1 3  19 38  o 22.910  0.5794 0.4727000      1.159000  
1 1 1 3  19 39  o 24.400  0.5873 -0.2179000     1.175000  
1 1 1 3  19 40  o 16.220  0.6622 0.7852000      1.324000  
1 1 1 3  19 41  o 21.080  0.6108 -1.228000      1.222000  
1 1 1 3  19 42  o 23.040  0.6180 0.2018000      1.236000  
1 1 1 3  19 43  o 11.870  0.9174 2.498000       1.835000  
1 1 1 3  19 44  o 23.870  0.6323 -0.8264000     1.265000  
1 1 1 3  19 45  o 20.960  0.6552 -0.8996000     1.310000  
1 1 1 3  19 46  o 19.710  0.6737 -2.065000      1.347000  
1 1 1 3  19 47  f 15.970  0.7656 0.9114000      1.531000  
1 1 1 3  19 48  o 19.080  0.6869 1.535000       1.374000  
1 1 1 3  19 49  o 9.8750  1.1660 -1.878000      2.331000  
1 1 1 3  19 50  o 34.210  0.7049 -1.449000      1.410000  
1 1 1 3  19 51  o 23.190  0.6738 0.5374000      1.348000  
1 1 1 3  19 52  o 10.110  1.2090 -2.792000      2.417000  
1 1 1 3  19 53  o 11.700  1.0310 0.2217000      2.063000  
1 1 1 3  19 54  o 3.5110  1.1730 0.4268000      2.346000  
1 1 1 3  19 55  o 7.6610  1.3220 -3.677000      2.644000  
1 1 1 3  19 56  o 13.750  0.8753 -0.9927000     1.751000  
1 1 1 3  19 57  o 4.1160  1.3120 0.1879000      2.625000  
1 1 1 3  19 58  o 8.0660  1.4450 0.5969000      2.890000  
1 1 1 3  19 59  o 6.4500  1.5210 -0.3389000E-01 3.042000  
1 1 1 3  19 60  o 6.0290  1.5070 0.1576000      3.015000  
1 1 1 3  19 61  f 7.3240  1.4560 -0.8207000     2.911000  
1 1 1 3  19 62  o 8.3220  1.4050 -2.824000      2.811000  
1 1 1 3  19 63  o 7.2110  1.4250 -2.612000      2.849000  
1 1 1 3  19 64  o 5.4410  1.6310 0.4831000      3.262000  
1 1 1 3  19 65  o 4.7500  1.5140 0.9875000E-01  3.028000  
1 1 1 3  19 66  o 8.6050  1.7700 0.1306000      3.540000  
1 1 1 3  19 67  o 5.2330  1.6040 0.8626000      3.208000  
1 1 1 3  19 68  o 6.3040  1.9200 1.005000       3.839000  
1 1 1 3  19 69  o 5.8270  1.8530 0.4183000      3.706000  
1 1 1 3  19 70  o 7.3310  2.0890 0.6513000      4.178000  
1 1 1 3  19 71  o 5.5180  1.7990 0.9956000      3.599000  
1 1 1 3  19 72  o 5.9460  1.8940 -0.4313000     3.787000  
1 1 1 3  19 73  o 5.9180  1.8750 1.110000       3.749000  
1 1 1 3  19 74  o 6.0000  1.9210 -1.347000      3.842000  
1 1 1 3  19 75  o 6.1100  1.9410 -2.177000      3.881000  
1 1 1 3  19 76  o 5.6570  1.8230 2.539000       3.646000  
1 1 1 3  19 77  o 4.9690  1.7040 -0.9463000     3.408000  
1 1 1 3  19 78  o 5.8520  1.8930 -0.9769000     3.785000  
1 1 1 3  19 79  f 4.2740  1.5010 -1.356000      3.003000  
1 1 1 3  19 80  o 4.1620  1.4580 0.2595000      2.917000  
1 1 1 3  19 81  o 4.2010  1.4350 1.363000       2.869000  
1 1 1 3  19 82  f 4.3320  1.4180 -2.039000      2.835000  
1 1 1 3  19 83  o 3.9750  1.4170 0.8146000      2.834000  
1 1 1 3  19 84  o 4.2000  2.1070 ?              ?         
1 1 1 3  20 0   o 15.580  0.6731 -0.000000      0.000000  
1 1 1 3  20 1   o 26.730  0.5635 1.709000       1.127000  
1 1 1 3  20 2   o 37.910  0.5556 0.7267000      1.111000  
1 1 1 3  20 3   o 21.980  0.5338 -0.1496000     1.068000  
1 1 1 3  20 4   f 35.540  0.5300 0.5396000      1.060000  
1 1 1 3  20 5   o 53.090  0.7493 1.766000       1.499000  
1 1 1 3  20 6   o 44.380  0.6953 2.393000       1.391000  
1 1 1 3  20 7   o 34.870  0.5218 -0.7974000     1.044000  
1 1 1 3  20 8   o 27.360  0.4812 0.1618000E-01  0.9624000 
1 1 1 3  20 9   o 33.200  0.5046 0.9675000      1.009000  
1 1 1 3  20 10  o 26.020  0.4791 -3.480000      0.9582000 
1 1 1 3  20 11  o 36.570  0.5409 -0.6351000     1.082000  
1 1 1 3  20 12  o 29.320  0.5053 0.7663000      1.011000  
1 1 1 3  20 13  f 21.730  0.5346 -5.169000      1.069000  
1 1 1 3  20 14  o 50.610  0.7186 0.5616000      1.437000  
1 1 1 3  20 15  o 28.150  0.5931 2.365000       1.186000  
1 1 1 3  20 16  o 18.390  0.4900 0.1809000E-01  0.9800000 
1 1 1 3  20 17  o 19.620  0.4167 0.6876000      0.8334000 
1 1 1 3  20 18  o 16.500  0.4593 0.7383000      0.9186000 
1 1 1 3  20 19  o 36.000  0.5425 -0.2767000E-01 1.085000  
1 1 1 3  20 20  o 39.030  0.5790 -0.1964000     1.158000  
1 1 1 3  20 21  o 31.630  0.5356 1.907000       1.071000  
1 1 1 3  20 22  o 13.250  0.5978 -2.717000      1.196000  
1 1 1 3  20 23  o 15.160  0.5177 1.787000       1.035000  
1 1 1 3  20 24  o 26.810  0.4589 0.2820000      0.9178000 
1 1 1 3  20 25  o 21.200  0.4438 0.5500000      0.8877000 
1 1 1 3  20 26  f 16.910  0.5080 -0.6200000     1.016000  
1 1 1 3  20 27  o 11.820  0.5679 -0.3626000     1.136000  
1 1 1 3  20 28  o 22.200  0.4555 0.3349000      0.9110000 
1 1 1 3  20 29  o 23.200  0.4592 -0.6109000E-02 0.9185000 
1 1 1 3  20 30  o 17.170  0.5321 1.710000       1.064000  
1 1 1 3  20 31  o 45.670  0.6687 0.4755000      1.337000  
1 1 1 3  20 32  o 5.8860  1.2290 0.4636000E-01  2.458000  
1 1 1 3  20 33  o 41.410  0.6721 0.8972000      1.344000  
1 1 1 3  20 34  o 52.770  0.8264 -0.4928000     1.653000  
1 1 1 3  20 35  o 13.960  0.8579 -6.677000      1.716000  
1 1 1 3  20 36  o 19.730  0.6077 -0.1877000     1.215000  
1 1 1 3  20 37  f 31.860  0.6332 -0.7198000     1.266000  
1 1 1 3  20 38  o 22.290  0.6083 1.066000       1.217000  
1 1 1 3  20 39  f 11.070  0.9752 3.460000       1.950000  
1 1 1 3  20 40  o 28.260  0.6172 0.5627000      1.234000  
1 1 1 3  20 41  o 33.120  0.6555 0.1249000      1.311000  
1 1 1 3  20 42  f 11.990  0.8941 -1.190000      1.788000  
1 1 1 3  20 43  o 18.840  0.6634 0.4651000      1.327000  
1 1 1 3  20 44  o 25.730  0.6276 0.4164000E-01  1.255000  
1 1 1 3  20 45  o 11.740  0.9164 0.8083000      1.833000  
1 1 1 3  20 46  f 22.420  0.6453 -0.5231000     1.291000  
1 1 1 3  20 47  o 18.980  0.6703 -0.3531000     1.341000  
1 1 1 3  20 48  f 9.6410  1.1690 0.6930000      2.338000  
1 1 1 3  20 49  o 16.380  0.7514 -0.5880000E-01 1.503000  
1 1 1 3  20 50  o 11.970  0.9651 -2.054000      1.930000  
1 1 1 3  20 51  o 12.160  0.9436 -0.8707000     1.887000  
1 1 1 3  20 52  o 7.7320  1.3690 -1.211000      2.738000  
1 1 1 3  20 53  o 6.3310  1.4770 0.4688000      2.954000  
1 1 1 3  20 54  f 12.170  1.0110 -1.474000      2.021000  
1 1 1 3  20 55  o 11.590  1.0600 1.986000       2.120000  
1 1 1 3  20 56  f 11.800  1.0290 0.8906000E-01  2.057000  
1 1 1 3  20 57  o 11.470  1.0590 0.5837000      2.119000  
1 1 1 3  20 58  o 5.4080  1.4400 -0.6958000     2.881000  
1 1 1 3  20 59  o 13.300  0.9343 -0.3810000     1.869000  
1 1 1 3  20 60  o 6.0620  1.4970 -0.7776000     2.995000  
1 1 1 3  20 61  o 8.5720  1.4410 0.7104000      2.883000  
1 1 1 3  20 62  o 5.3470  1.4690 -1.188000      2.938000  
1 1 1 3  20 63  o 7.8520  1.4200 1.684000       2.839000  
1 1 1 3  20 64  o 5.9180  1.4960 -1.629000      2.992000  
1 1 1 3  20 65  o 5.1580  1.4320 -1.175000      2.865000  
1 1 1 3  20 66  o 6.1950  1.5080 -1.829000      3.016000  
1 1 1 3  20 67  o 11.450  1.1840 2.008000       2.368000  
1 1 1 3  20 68  o 4.0820  1.3000 0.7266000      2.600000  
1 1 1 3  20 69  o 5.0200  1.5800 0.9445000      3.160000  
1 1 1 3  20 70  o 6.1720  1.7560 0.6481000      3.511000  
1 1 1 3  20 71  o 4.9390  1.5540 -0.3545000     3.109000  
1 1 1 3  20 72  o 4.6760  1.5030 0.2410000      3.006000  
1 1 1 3  20 73  o 5.6340  1.8380 0.5268000      3.677000  
1 1 1 3  20 74  o 5.0640  1.7160 -0.4964000     3.432000  
1 1 1 3  20 75  o 7.6490  2.0860 -3.785000      4.171000  
1 1 1 3  20 76  f 6.1380  1.9230 0.3605000      3.846000  
1 1 1 3  20 77  o 6.2310  1.8590 3.159000       3.717000  
1 1 1 3  20 78  o 4.8500  1.6300 -0.4213000     3.260000  
1 1 1 3  20 79  o 3.8810  1.3400 1.175000       2.679000  
1 1 1 3  20 80  o 3.4310  1.2030 -0.7307000     2.406000  
1 1 1 3  20 81  f 4.3480  1.5270 0.3549000      3.054000  
1 1 1 3  21 0   o 30.020  0.6722 -0.000000      0.000000  
1 1 1 3  21 1   o 26.270  0.5111 -2.795000      1.022000  
1 1 1 3  21 2   o 22.870  0.4546 -0.1012000     0.9092000 
1 1 1 3  21 3   o 17.620  0.4830 -0.3898000     0.9660000 
1 1 1 3  21 4   o 32.470  0.5438 4.758000       1.088000  
1 1 1 3  21 5   o 49.510  0.7056 0.4424000      1.411000  
1 1 1 3  21 6   o 11.530  0.7472 -5.748000      1.494000  
1 1 1 3  21 7   o 15.840  0.4246 -0.1390000     0.8492000 
1 1 1 3  21 8   o 19.550  0.4165 -1.579000      0.8330000 
1 1 1 3  21 9   o 23.110  0.4939 2.599000       0.9878000 
1 1 1 3  21 10  o 46.320  0.6642 0.2684000      1.328000  
1 1 1 3  21 11  o 38.250  0.6596 -6.769000      1.319000  
1 1 1 3  21 12  o 37.690  0.5607 -0.1476000     1.121000  
1 1 1 3  21 13  f 29.220  0.5474 2.940000       1.095000  
1 1 1 3  21 14  o 24.470  0.6073 -1.003000      1.215000  
1 1 1 3  21 15  o 32.520  0.5057 0.1527000      1.011000  
1 1 1 3  21 16  o 22.710  0.5740 -1.520000      1.148000  
1 1 1 3  21 17  o 34.610  0.5294 0.1697000      1.059000  
1 1 1 3  21 18  o 39.930  0.5918 0.8256000      1.184000  
1 1 1 3  21 19  o 8.7850  0.9405 -0.1674000     1.881000  
1 1 1 3  21 20  f 16.490  0.4630 -0.2600000E-02 0.9260000 
1 1 1 3  21 21  o 13.670  0.4968 0.5099000      0.9936000 
1 1 1 3  21 22  o 8.6790  0.7672 2.327000       1.534000  
1 1 1 3  21 23  o 21.880  0.4500 0.3617000E-01  0.9001000 
1 1 1 3  21 24  o 9.3950  0.7173 0.1535000      1.435000  
1 1 1 3  21 25  o 8.7580  0.7868 0.3917000      1.574000  
1 1 1 3  21 26  o 13.680  0.5210 0.8244000E-01  1.042000  
1 1 1 3  21 27  o 31.680  0.5162 0.5031000      1.032000  
1 1 1 3  21 28  f 22.460  0.4651 -0.8623000     0.9303000 
1 1 1 3  21 29  o 11.050  0.6677 0.6329000      1.335000  
1 1 1 3  21 30  f 32.360  0.5266 -1.436000      1.053000  
1 1 1 3  21 31  o 12.340  0.8538 -5.858000      1.708000  
1 1 1 3  21 32  f 38.340  0.5911 0.1862000      1.182000  
1 1 1 3  21 33  o 22.010  0.5832 -3.177000      1.166000  
1 1 1 3  21 34  o 11.300  0.7539 -1.158000      1.508000  
1 1 1 3  21 35  o 17.470  0.5657 0.4788000      1.131000  
1 1 1 3  21 36  o 8.6040  1.0160 1.652000       2.031000  
1 1 1 3  21 37  o 24.140  0.5960 -0.1733000     1.192000  
1 1 1 3  21 38  o 23.860  0.6041 0.9954000      1.208000  
1 1 1 3  21 39  o 13.090  0.7994 -0.7538000     1.599000  
1 1 1 3  21 40  o 16.770  0.7064 0.1078000      1.413000  
1 1 1 3  21 41  o 13.590  0.8318 2.616000       1.664000  
1 1 1 3  21 42  o 4.7270  1.3360 1.017000       2.673000  
1 1 1 3  21 43  o 5.4710  1.3280 -2.588000      2.655000  
1 1 1 3  21 44  o 15.720  0.7455 -0.6398000     1.491000  
1 1 1 3  21 45  o 25.860  0.6467 -0.5593000     1.293000  
1 1 1 3  21 46  o 4.5620  1.3530 0.6704000      2.707000  
1 1 1 3  21 47  o 19.910  0.6714 -1.526000      1.343000  
1 1 1 3  21 48  o 10.480  1.0850 0.9232000E-01  2.170000  
1 1 1 3  21 49  o 13.790  0.8757 -1.283000      1.751000  
1 1 1 3  21 50  o 7.0640  1.4190 -1.760000      2.837000  
1 1 1 3  21 51  o 15.510  0.8065 0.5617000      1.613000  
1 1 1 3  21 52  f 17.000  0.7642 0.1322000      1.528000  
1 1 1 3  21 53  o 19.850  0.7256 0.2470000      1.451000  
1 1 1 3  21 54  o 13.360  0.9181 -0.3045000     1.836000  
1 1 1 3  21 55  o 4.2320  1.3090 0.1125000E-01  2.618000  
1 1 1 3  21 56  o 11.810  0.9895 1.431000       1.979000  
1 1 1 3  21 57  o 12.740  0.9660 -0.3951000     1.932000  
1 1 1 3  21 58  o 6.1690  1.4910 -1.331000      2.982000  
1 1 1 3  21 59  o 4.4020  1.3580 0.4324000      2.715000  
1 1 1 3  21 60  o 4.6430  1.3660 1.633000       2.732000  
1 1 1 3  21 61  o 3.9760  1.2530 1.063000       2.506000  
1 1 1 3  21 62  o 7.7450  1.4430 0.2818000      2.885000  
1 1 1 3  21 63  o 7.4500  1.5080 0.4345000      3.016000  
1 1 1 3  21 64  o 5.4300  1.4850 -0.9036000     2.969000  
1 1 1 3  21 65  o 8.7060  1.3780 -0.6826000E-01 2.755000  
1 1 1 3  21 66  o 4.4960  1.3850 0.2008000      2.769000  
1 1 1 3  21 67  f 4.0990  1.2880 -1.188000      2.576000  
1 1 1 3  21 68  o 7.6180  1.5030 -1.605000      3.005000  
1 1 1 3  21 69  o 5.4260  1.5190 0.1930000      3.038000  
1 1 1 3  21 70  o 4.3210  1.3550 0.7045000E-01  2.710000  
1 1 1 3  21 71  o 4.5830  1.3790 0.1214000      2.757000  
1 1 1 3  21 72  o 5.1800  1.4910 0.4140000      2.981000  
1 1 1 3  21 73  o 4.0920  1.2860 1.465000       2.572000  
1 1 1 3  21 74  o 4.1270  1.2980 -1.430000      2.596000  
1 1 1 3  21 75  o 4.2330  1.4380 1.592000       2.877000  
1 1 1 3  21 76  o 4.2310  1.3750 -0.3446000     2.750000  
1 1 1 3  21 77  o 4.7130  1.4410 -0.8358000     2.882000  
1 1 1 3  21 78  o 3.7750  1.2600 0.9961000E-01  2.520000  
1 1 1 3  21 79  o 3.4310  1.2440 -0.6714000     2.489000  
1 1 1 3  22 0   o 37.430  0.7913 -0.000000      0.000000  
1 1 1 3  22 1   o 40.230  0.6881 -5.505000      1.376000  
1 1 1 3  22 2   o 29.150  0.4753 2.285000       0.9506000 
1 1 1 3  22 3   o 19.990  0.4931 -0.5138000     0.9861000 
1 1 1 3  22 4   o 20.680  0.5275 2.317000       1.055000  
1 1 1 3  22 5   o 19.620  0.4253 -0.7301000E-01 0.8507000 
1 1 1 3  22 6   o 32.760  0.7310 -21.61000      1.462000  
1 1 1 3  22 7   o 55.070  0.7821 1.701000       1.564000  
1 1 1 3  22 8   o 28.730  0.7130 -15.87000      1.426000  
1 1 1 3  22 9   o 18.990  0.5651 -1.527000      1.130000  
1 1 1 3  22 10  o 41.590  0.6113 1.686000       1.223000  
1 1 1 3  22 11  o 43.590  0.6363 -1.497000      1.273000  
1 1 1 3  22 12  o 25.280  0.5531 3.904000       1.106000  
1 1 1 3  22 13  o 18.220  0.4583 -0.9776000     0.9166000 
1 1 1 3  22 14  o 31.180  0.5802 0.3931000      1.160000  
1 1 1 3  22 15  o 57.570  0.8178 -0.3335000     1.636000  
1 1 1 3  22 16  o 39.650  1.1780 ?              ?         
1 1 1 3  22 17  o 12.530  0.5645 -0.1095000     1.129000  
1 1 1 3  22 18  o 21.270  0.4957 -0.1232000E-01 0.9914000 
1 1 1 3  22 19  o 33.680  0.5272 -0.2494000E-01 1.054000  
1 1 1 3  22 20  o 20.620  0.5490 -1.900000      1.098000  
1 1 1 3  22 21  o 12.380  0.6249 3.041000       1.250000  
1 1 1 3  22 22  o 7.7720  0.9033 -2.997000      1.807000  
1 1 1 3  22 23  o 23.330  0.4693 0.4852000      0.9385000 
1 1 1 3  22 24  o 19.130  0.4752 -0.9943000     0.9504000 
1 1 1 3  22 25  o 16.700  0.5126 -0.6529000     1.025000  
1 1 1 3  22 26  o 34.960  0.5522 0.9088000      1.104000  
1 1 1 3  22 27  o 19.980  0.6306 -0.8222000     1.261000  
1 1 1 3  22 28  o 28.080  0.5004 0.8358000E-01  1.001000  
1 1 1 3  22 29  f 25.650  0.4915 0.9851000      0.9830000 
1 1 1 3  22 30  o 11.090  0.6974 1.156000       1.395000  
1 1 1 3  22 31  o 22.120  0.4788 -0.5002000E-01 0.9577000 
1 1 1 3  22 32  o 21.180  0.4892 -0.2942000     0.9785000 
1 1 1 3  22 33  o 10.990  0.7092 -0.8926000     1.418000  
1 1 1 3  22 34  o 18.130  0.5243 0.1721000      1.049000  
1 1 1 3  22 35  o 8.3170  1.0650 -2.000000      2.129000  
1 1 1 3  22 36  o 10.110  0.8887 1.047000       1.777000  
1 1 1 3  22 37  f 4.0490  1.1960 -0.6780000     2.393000  
1 1 1 3  22 38  o 14.030  0.7464 1.573000       1.493000  
1 1 1 3  22 39  o 16.480  0.6868 0.3848000      1.374000  
1 1 1 3  22 40  f 19.560  0.6426 0.3165000      1.285000  
1 1 1 3  22 41  o 10.330  1.1200 4.782000       2.241000  
1 1 1 3  22 42  f 11.440  0.9534 -0.2759000     1.907000  
1 1 1 3  22 43  o 15.940  0.7232 0.2117000      1.446000  
1 1 1 3  22 44  o 22.950  0.6645 0.3140000      1.329000  
1 1 1 3  22 45  o 11.660  0.9547 0.6208000      1.909000  
1 1 1 3  22 46  o 14.970  0.7816 -1.660000      1.563000  
1 1 1 3  22 47  o 8.7060  1.2590 -2.651000      2.519000  
1 1 1 3  22 48  o 8.8300  1.2580 -0.2085000     2.516000  
1 1 1 3  22 49  o 7.2570  1.4220 -1.254000      2.843000  
1 1 1 3  22 50  o 17.830  0.7299 0.5639000E-01  1.460000  
1 1 1 3  22 51  o 8.2700  1.3200 -3.698000      2.639000  
1 1 1 3  22 52  o 14.970  0.8223 1.694000       1.645000  
1 1 1 3  22 53  o 10.660  1.1030 1.110000       2.207000  
1 1 1 3  22 54  o 10.780  1.0540 -0.8798000     2.107000  
1 1 1 3  22 55  o 5.7830  1.3600 2.860000       2.721000  
1 1 1 3  22 56  f 8.0950  1.4020 -0.4434000     2.804000  
1 1 1 3  22 57  o 8.0790  1.4240 0.7037000      2.848000  
1 1 1 3  22 58  o 7.6170  1.3440 4.463000       2.689000  
1 1 1 3  22 59  o 4.9120  1.3360 -2.584000      2.672000  
1 1 1 3  22 60  o 6.4260  1.4250 -0.4869000     2.850000  
1 1 1 3  22 61  o 6.9470  1.4650 -1.079000      2.929000  
1 1 1 3  22 62  o 4.5520  1.3630 -1.296000      2.725000  
1 1 1 3  22 63  o 6.8640  1.4940 1.997000       2.988000  
1 1 1 3  22 64  o 7.7570  1.4430 0.7383000      2.887000  
1 1 1 3  22 65  o 4.5720  1.3840 -0.6065000     2.769000  
1 1 1 3  22 66  o 6.9750  1.5140 -1.029000      3.029000  
1 1 1 3  22 67  o 4.4080  1.3540 -1.229000      2.708000  
1 1 1 3  22 68  o 4.5660  1.3830 -1.145000      2.766000  
1 1 1 3  22 69  o 4.7570  1.4130 0.1499000      2.826000  
1 1 1 3  22 70  o 3.4730  1.1650 -0.5276000     2.330000  
1 1 1 3  22 71  o 4.1250  1.3160 0.4434000      2.632000  
1 1 1 3  22 72  o 3.8820  1.2650 0.9859000      2.531000  
1 1 1 3  22 73  o 3.9570  1.2690 0.4111000      2.537000  
1 1 1 3  22 74  o 4.4020  1.3570 0.8296000      2.714000  
1 1 1 3  22 75  o 3.5520  1.1840 -0.2020000     2.367000  
1 1 1 3  22 76  o 3.6950  1.3290 -0.7594000     2.658000  
1 1 1 3  23 0   o 23.430  0.7344 -0.000000      0.000000  
1 1 1 3  23 1   f 30.150  0.5698 -5.072000      1.140000  
1 1 1 3  23 2   o 40.340  0.6014 1.089000       1.203000  
1 1 1 3  23 3   o 35.460  0.6350 -5.836000      1.270000  
1 1 1 3  23 4   o 24.290  0.4983 3.624000       0.9966000 
1 1 1 3  23 5   o 14.440  0.6177 5.907000       1.235000  
1 1 1 3  23 6   f 24.330  0.5868 2.238000       1.174000  
1 1 1 3  23 7   o 42.910  0.6303 1.630000       1.261000  
1 1 1 3  23 8   o 43.440  0.8292 -9.062000      1.658000  
1 1 1 3  23 9   o 53.640  0.7677 2.152000       1.535000  
1 1 1 3  23 10  o 37.840  0.6963 -12.48000      1.393000  
1 1 1 3  23 11  o 22.390  0.5872 6.397000       1.174000  
1 1 1 3  23 12  o 34.160  0.5343 -1.068000      1.069000  
1 1 1 3  23 13  o 33.020  0.5246 1.582000       1.049000  
1 1 1 3  23 14  o 16.560  0.6587 5.000000       1.317000  
1 1 1 3  23 15  o 36.400  0.5611 -0.1926000     1.122000  
1 1 1 3  23 16  o 25.370  0.5729 5.076000       1.146000  
1 1 1 3  23 17  o 29.850  0.5039 -1.877000      1.008000  
1 1 1 3  23 18  o 26.570  0.5124 -0.2830000     1.025000  
1 1 1 3  23 19  o 21.060  0.5157 -2.821000      1.031000  
1 1 1 3  23 20  o 19.220  0.6110 -4.047000      1.222000  
1 1 1 3  23 21  o 18.930  0.4776 0.2811000      0.9552000 
1 1 1 3  23 22  o 13.740  0.5911 1.195000       1.182000  
1 1 1 3  23 23  o 20.530  0.4687 -0.2874000E-02 0.9374000 
1 1 1 3  23 24  o 11.170  0.6779 0.1293000      1.356000  
1 1 1 3  23 25  f 11.150  0.6653 -1.210000      1.331000  
1 1 1 3  23 26  o 12.220  0.6296 -0.7964000E-02 1.259000  
1 1 1 3  23 27  o 9.4240  0.9349 -2.511000      1.870000  
1 1 1 3  23 28  o 33.100  0.5419 -0.4814000     1.084000  
1 1 1 3  23 29  f 18.850  0.6741 -5.226000      1.348000  
1 1 1 3  23 30  f 18.440  0.5075 0.5051000      1.015000  
1 1 1 3  23 31  o 20.330  0.4954 1.503000       0.9908000 
1 1 1 3  23 32  o 4.5800  1.2020 -0.3442000     2.404000  
1 1 1 3  23 33  o 3.9170  1.1280 0.6827000      2.256000  
1 1 1 3  23 34  o 15.490  0.5478 -0.2445000     1.096000  
1 1 1 3  23 35  o 4.3530  1.1840 0.3135000      2.368000  
1 1 1 3  23 36  o 13.450  0.7132 -1.331000      1.426000  
1 1 1 3  23 37  o 8.3960  1.0800 0.6955000      2.160000  
1 1 1 3  23 38  o 3.9480  1.1840 0.2192000      2.367000  
1 1 1 3  23 39  o 24.370  0.6202 0.6802000      1.240000  
1 1 1 3  23 40  o 7.9980  1.2610 2.714000       2.521000  
1 1 1 3  23 41  o 5.3910  1.3920 0.9080000      2.784000  
1 1 1 3  23 42  o 24.390  0.6250 0.8219000      1.250000  
1 1 1 3  23 43  o 11.440  0.9259 2.945000       1.852000  
1 1 1 3  23 44  o 4.4930  1.3230 0.3302000      2.647000  
1 1 1 3  23 45  f 6.1470  1.3960 2.018000       2.792000  
1 1 1 3  23 46  f 5.0340  1.3980 0.2636000      2.797000  
1 1 1 3  23 47  o 21.740  0.6676 -0.2829000     1.335000  
1 1 1 3  23 48  o 8.7050  1.2700 3.599000       2.540000  
1 1 1 3  23 49  o 4.8950  1.3730 1.227000       2.745000  
1 1 1 3  23 50  o 11.830  0.9617 -0.2848000E-01 1.923000  
1 1 1 3  23 51  o 4.2660  1.3000 0.9416000      2.601000  
1 1 1 3  23 52  o 4.8330  1.3740 -0.9872000     2.748000  
1 1 1 3  23 53  o 5.2500  1.4260 0.1520000      2.853000  
1 1 1 3  23 54  o 4.3460  1.3330 -1.242000      2.667000  
1 1 1 3  23 55  o 8.3640  1.3390 3.636000       2.677000  
1 1 1 3  23 56  o 11.440  1.0700 -1.101000      2.140000  
1 1 1 3  23 57  o 3.9750  1.2720 0.2270000      2.544000  
1 1 1 3  23 58  o 4.0040  1.2730 -0.6279000     2.545000  
1 1 1 3  23 59  o 6.9810  1.4100 -1.245000      2.819000  
1 1 1 3  23 60  o 5.5640  1.4500 0.1359000      2.900000  
1 1 1 3  23 61  o 3.6600  1.2150 -0.1027000     2.430000  
1 1 1 3  23 62  o 4.4190  1.3500 -1.142000      2.700000  
1 1 1 3  23 63  o 8.6700  1.3650 1.914000       2.730000  
1 1 1 3  23 64  f 3.9490  1.2470 0.9318000      2.494000  
1 1 1 3  23 65  o 4.2900  1.3310 0.9944000      2.662000  
1 1 1 3  23 66  o 6.5320  1.5230 0.3426000      3.047000  
1 1 1 3  23 67  o 3.7670  1.2310 0.2801000      2.463000  
1 1 1 3  23 68  o 3.8130  1.2490 0.4119000      2.498000  
1 1 1 3  23 69  o 3.9460  1.2690 -0.3328000     2.538000  
1 1 1 3  23 70  o 3.2970  1.1210 0.5829000E-01  2.242000  
1 1 1 3  23 71  o 3.3920  1.1470 0.6300000      2.294000  
1 1 1 3  23 72  o 3.1630  1.0770 -0.9358000     2.153000  
1 1 1 3  23 73  o 4.3200  1.5070 1.076000       3.015000  
1 1 1 3  24 0   o 23.200  0.6368 0.000000       0.000000  
1 1 1 3  24 1   o 25.900  0.4717 0.5511000      0.9434000 
1 1 1 3  24 2   o 24.880  0.4612 -0.6192000     0.9225000 
1 1 1 3  24 3   o 23.710  0.5372 -2.824000      1.074000  
1 1 1 3  24 4   o 19.470  0.4902 0.8563000      0.9804000 
1 1 1 3  24 5   o 20.470  0.5286 0.6907000E-02  1.057000  
1 1 1 3  24 6   o 25.000  0.4995 0.1314000      0.9991000 
1 1 1 3  24 7   o 24.990  0.4633 0.3097000E-01  0.9266000 
1 1 1 3  24 8   o 16.930  0.6784 -7.615000      1.357000  
1 1 1 3  24 9   o 16.320  0.4932 -0.1860000     0.9864000 
1 1 1 3  24 10  o 20.660  0.6327 -8.631000      1.265000  
1 1 1 3  24 11  o 30.140  0.5005 1.397000       1.001000  
1 1 1 3  24 12  o 21.700  0.7367 -18.78000      1.473000  
1 1 1 3  24 13  o 39.180  0.5933 2.449000       1.187000  
1 1 1 3  24 14  o 42.560  0.6335 -3.066000      1.267000  
1 1 1 3  24 15  o 28.030  0.5352 5.708000       1.070000  
1 1 1 3  24 16  o 18.840  0.5236 -0.2720000     1.047000  
1 1 1 3  24 17  o 10.090  0.6976 -0.7177000     1.395000  
1 1 1 3  24 18  o 18.960  0.4833 -0.4434000     0.9666000 
1 1 1 3  24 19  o 15.950  0.5403 0.2257000      1.081000  
1 1 1 3  24 20  o 18.840  0.4928 -0.1958000     0.9856000 
1 1 1 3  24 21  o 43.580  0.6508 -0.1185000     1.302000  
1 1 1 3  24 22  o 14.630  0.6902 -1.672000      1.380000  
1 1 1 3  24 23  o 9.4030  1.0100 -2.419000      2.021000  
1 1 1 3  24 24  o 25.700  0.4888 0.6586000      0.9776000 
1 1 1 3  24 25  o 9.9890  0.9021 4.456000       1.804000  
1 1 1 3  24 26  o 17.870  0.5014 0.2589000      1.003000  
1 1 1 3  24 27  o 23.550  0.4890 -1.035000      0.9779000 
1 1 1 3  24 28  o 19.430  0.5051 -0.3745000     1.010000  
1 1 1 3  24 29  o 24.490  0.4976 -0.4088000E-01 0.9952000 
1 1 1 3  24 30  o 15.820  0.5652 -0.1038000     1.130000  
1 1 1 3  24 31  o 5.3820  1.1970 -0.9449000     2.394000  
1 1 1 3  24 32  o 10.070  0.7502 0.3770000      1.500000  
1 1 1 3  24 33  o 8.6260  0.9253 0.7059000E-01  1.851000  
1 1 1 3  24 34  o 9.8020  0.7798 0.1213000      1.560000  
1 1 1 3  24 35  o 4.7980  1.1930 0.9826000      2.386000  
1 1 1 3  24 36  o 6.8490  1.0850 -1.859000      2.169000  
1 1 1 3  24 37  o 6.8040  1.2390 0.2679000      2.479000  
1 1 1 3  24 38  o 11.660  0.7829 0.1242000      1.566000  
1 1 1 3  24 39  o 5.1520  1.3040 -1.389000      2.609000  
1 1 1 3  24 40  o 7.1710  1.3060 -1.728000      2.611000  
1 1 1 3  24 41  o 3.8690  1.1990 -0.4441000     2.399000  
1 1 1 3  24 42  o 11.650  0.8513 -1.581000      1.703000  
1 1 1 3  24 43  o 5.4590  1.3590 0.6581000      2.717000  
1 1 1 3  24 44  o 5.1210  1.3210 1.749000       2.641000  
1 1 1 3  24 45  o 4.2620  1.2560 -1.539000      2.513000  
1 1 1 3  24 46  o 13.130  0.8279 0.3948000      1.656000  
1 1 1 3  24 47  o 4.0580  1.2600 0.3822000      2.520000  
1 1 1 3  24 48  o 5.5460  1.4490 -0.5897000     2.897000  
1 1 1 3  24 49  o 3.9850  1.2490 1.225000       2.497000  
1 1 1 3  24 50  o 9.8060  1.1810 -1.068000      2.362000  
1 1 1 3  24 51  o 9.2470  1.2440 -1.630000      2.489000  
1 1 1 3  24 52  o 8.6930  1.2960 2.232000       2.591000  
1 1 1 3  24 53  o 4.4240  1.3340 0.7020000      2.668000  
1 1 1 3  24 54  f 6.9660  1.4090 0.4910000      2.818000  
1 1 1 3  24 55  o 3.6210  1.1770 -0.9093000     2.354000  
1 1 1 3  24 56  o 3.5780  1.1830 -0.2050000     2.367000  
1 1 1 3  24 57  o 3.8370  1.2310 -0.7341000     2.462000  
1 1 1 3  24 58  o 6.1260  1.3800 -2.331000      2.761000  
1 1 1 3  24 59  o 4.3160  1.3150 0.7520000      2.630000  
1 1 1 3  24 60  o 6.6670  1.4690 -0.6314000     2.938000  
1 1 1 3  24 61  f 6.1140  1.5120 0.7205000      3.025000  
1 1 1 3  24 62  o 3.7240  1.2300 -0.1121000     2.461000  
1 1 1 3  24 63  o 4.1640  1.2870 -1.284000      2.573000  
1 1 1 3  24 64  o 4.3070  1.3120 0.6494000      2.624000  
1 1 1 3  24 65  o 4.1930  1.3200 0.9070000E-01  2.641000  
1 1 1 3  24 66  o 3.8280  1.2490 -0.6130000     2.498000  
1 1 1 3  24 67  o 5.2360  1.4180 0.9264000      2.837000  
1 1 1 3  24 68  o 5.5910  1.4330 1.183000       2.866000  
1 1 1 3  24 69  o 4.8510  1.2590 -3.622000      2.518000  
1 1 1 3  24 70  o 4.3280  1.4980 0.7491000      2.997000  
1 1 1 3  25 0   o 11.400  0.8585 0.000000       0.000000  
1 1 1 3  25 1   o 12.370  0.5663 -0.3710000     1.133000  
1 1 1 3  25 2   o 7.4010  0.9111 -0.1230000     1.822000  
1 1 1 3  25 3   o 8.3840  0.8594 3.050000       1.719000  
1 1 1 3  25 4   o 9.3340  0.7015 0.2560000      1.403000  
1 1 1 3  25 5   o 7.6350  0.9209 -0.1831000     1.842000  
1 1 1 3  25 6   o 9.0870  0.7942 -0.9726000     1.588000  
1 1 1 3  25 7   o 19.120  0.4674 -0.3865000E-01 0.9347000 
1 1 1 3  25 8   o 12.460  0.6343 -0.1451000E-01 1.269000  
1 1 1 3  25 9   o 7.9670  0.9025 2.026000       1.805000  
1 1 1 3  25 10  o 16.460  0.5804 -3.184000      1.161000  
1 1 1 3  25 11  o 27.880  0.4899 0.2712000      0.9797000 
1 1 1 3  25 12  o 16.410  0.6894 -9.166000      1.379000  
1 1 1 3  25 13  o 19.330  0.4757 -1.175000      0.9514000 
1 1 1 3  25 14  o 24.880  0.4770 0.2492000      0.9540000 
1 1 1 3  25 15  o 20.310  0.4785 -0.4477000     0.9569000 
1 1 1 3  25 16  o 22.080  0.5496 5.571000       1.099000  
1 1 1 3  25 17  o 29.640  0.5114 -0.4793000     1.023000  
1 1 1 3  25 18  o 25.110  0.4841 -0.9463000     0.9682000 
1 1 1 3  25 19  f 12.300  0.7402 2.883000       1.480000  
1 1 1 3  25 20  o 25.210  0.4837 -0.3192000     0.9674000 
1 1 1 3  25 21  o 15.220  0.6638 -6.122000      1.328000  
1 1 1 3  25 22  f 13.720  0.5965 0.3705000      1.193000  
1 1 1 3  25 23  o 11.440  0.6515 0.1734000      1.303000  
1 1 1 3  25 24  o 14.500  0.6280 -0.8313000     1.256000  
1 1 1 3  25 25  o 24.930  0.4969 1.052000       0.9939000 
1 1 1 3  25 26  o 18.720  0.5396 1.160000       1.079000  
1 1 1 3  25 27  o 10.520  0.7214 -0.1652000     1.443000  
1 1 1 3  25 28  o 7.7930  0.9714 -1.290000      1.943000  
1 1 1 3  25 29  o 11.140  0.6746 -0.3598000     1.349000  
1 1 1 3  25 30  o 4.6420  1.2050 0.6412000      2.411000  
1 1 1 3  25 31  o 13.230  0.6153 -0.4726000     1.231000  
1 1 1 3  25 32  o 13.060  0.6121 0.1792000      1.224000  
1 1 1 3  25 33  o 3.6790  1.0750 -1.577000      2.151000  
1 1 1 3  25 34  o 7.4460  0.9801 1.099000       1.960000  
1 1 1 3  25 35  o 7.9930  0.9430 -0.5394000     1.886000  
1 1 1 3  25 36  o 4.5360  1.1640 1.127000       2.328000  
1 1 1 3  25 37  o 4.3430  1.1720 0.8108000      2.344000  
1 1 1 3  25 38  o 4.7800  1.2580 -0.4630000     2.516000  
1 1 1 3  25 39  o 9.3160  0.9560 -0.1985000     1.912000  
1 1 1 3  25 40  o 4.7760  1.2410 1.400000       2.481000  
1 1 1 3  25 41  o 4.9740  1.3420 1.276000       2.684000  
1 1 1 3  25 42  o 12.570  0.8541 -0.4615000     1.708000  
1 1 1 3  25 43  o 4.2020  1.2790 -0.4017000     2.559000  
1 1 1 3  25 44  o 6.3090  1.3830 -1.291000      2.766000  
1 1 1 3  25 45  o 4.3660  1.2730 1.611000       2.546000  
1 1 1 3  25 46  o 4.5190  1.3090 0.1934000      2.619000  
1 1 1 3  25 47  o 3.9870  1.2410 -0.3680000     2.482000  
1 1 1 3  25 48  o 3.6880  1.1800 0.7351000      2.360000  
1 1 1 3  25 49  o 9.3920  1.1610 1.127000       2.321000  
1 1 1 3  25 50  o 4.1260  1.2780 -0.6597000     2.556000  
1 1 1 3  25 51  o 6.8170  1.4210 1.937000       2.842000  
1 1 1 3  25 52  f 7.1760  1.4490 -0.4458000     2.898000  
1 1 1 3  25 53  o 5.5400  1.3980 -2.161000      2.796000  
1 1 1 3  25 54  o 4.9990  1.4030 0.8838000E-01  2.806000  
1 1 1 3  25 55  o 4.8680  1.3800 -0.3891000     2.760000  
1 1 1 3  25 56  o 4.0100  1.2610 -0.3305000     2.522000  
1 1 1 3  25 57  o 3.8750  1.2390 0.6594000      2.478000  
1 1 1 3  25 58  o 3.5540  1.1730 0.5555000      2.345000  
1 1 1 3  25 59  o 3.4760  1.1540 -0.6242000     2.307000  
1 1 1 3  25 60  o 9.7510  1.1990 -0.2235000     2.397000  
1 1 1 3  25 61  o 4.5060  1.3640 0.4110000      2.727000  
1 1 1 3  25 62  o 4.8140  1.4070 -1.087000      2.813000  
1 1 1 3  25 63  o 4.1170  1.2930 0.5649000      2.585000  
1 1 1 3  25 64  o 3.3990  1.1190 -0.8125000     2.238000  
1 1 1 3  25 65  o 5.9990  1.4660 -0.1618000     2.931000  
1 1 1 3  25 66  o 4.6750  1.4880 0.1232000      2.976000  
1 1 1 3  26 0   o 3.7730  1.9150 -0.000000      0.000000  
1 1 1 3  26 1   o 4.7540  1.1640 0.4747000E-01  2.327000  
1 1 1 3  26 2   o 4.3820  1.1050 1.724000       2.211000  
1 1 1 3  26 3   o 9.4090  0.7357 0.2610000      1.471000  
1 1 1 3  26 4   o 8.6360  0.8725 -2.953000      1.745000  
1 1 1 3  26 5   o 6.4030  1.0010 -3.837000      2.003000  
1 1 1 3  26 6   o 13.940  0.5479 0.1172000      1.096000  
1 1 1 3  26 7   o 8.6360  0.8069 -0.1813000     1.614000  
1 1 1 3  26 8   o 8.2810  0.8659 -1.219000      1.732000  
1 1 1 3  26 9   o 6.8760  1.0150 1.700000       2.029000  
1 1 1 3  26 10  o 13.910  0.5650 0.4545000      1.130000  
1 1 1 3  26 11  o 10.410  0.6728 0.2390000      1.346000  
1 1 1 3  26 12  f 8.3150  0.8744 1.197000       1.749000  
1 1 1 3  26 13  o 12.750  0.5774 0.7822000      1.155000  
1 1 1 3  26 14  o 14.540  0.5416 1.764000       1.083000  
1 1 1 3  26 15  o 9.9700  0.7386 -0.2513000     1.477000  
1 1 1 3  26 16  o 10.630  0.6780 0.5951000      1.356000  
1 1 1 3  26 17  o 9.6290  0.7740 1.497000       1.548000  
1 1 1 3  26 18  o 8.0150  0.9184 -0.8719000     1.837000  
1 1 1 3  26 19  o 8.4010  0.8822 -1.135000      1.764000  
1 1 1 3  26 20  o 9.0110  0.8080 -0.1486000     1.616000  
1 1 1 3  26 21  o 18.130  0.5041 -0.4295000     1.008000  
1 1 1 3  26 22  o 15.700  0.5645 2.138000       1.129000  
1 1 1 3  26 23  o 14.650  0.5684 -0.6666000     1.137000  
1 1 1 3  26 24  o 19.130  0.4983 0.7430000      0.9967000 
1 1 1 3  26 25  o 11.950  0.6551 0.5247000      1.310000  
1 1 1 3  26 26  o 8.0600  0.9168 0.3164000      1.834000  
1 1 1 3  26 27  o 8.2890  0.9175 -1.186000      1.835000  
1 1 1 3  26 28  o 11.360  0.6729 0.1234000      1.346000  
1 1 1 3  26 29  f 7.2410  1.0080 -1.151000      2.015000  
1 1 1 3  26 30  o 5.4270  1.1310 -2.930000      2.262000  
1 1 1 3  26 31  o 13.130  0.6212 2.016000       1.242000  
1 1 1 3  26 32  o 5.5180  1.2320 0.9554000E-01  2.464000  
1 1 1 3  26 33  o 18.630  0.5293 -0.7164000     1.059000  
1 1 1 3  26 34  o 10.780  0.7297 0.5879000      1.459000  
1 1 1 3  26 35  o 3.4900  1.0840 0.1435000      2.168000  
1 1 1 3  26 36  f 12.530  0.6490 0.7082000      1.298000  
1 1 1 3  26 37  o 6.8580  1.1180 2.174000       2.236000  
1 1 1 3  26 38  o 11.150  0.7286 2.047000       1.457000  
1 1 1 3  26 39  o 4.5000  1.2480 -0.4129000     2.497000  
1 1 1 3  26 40  o 5.2780  1.2410 -3.037000      2.483000  
1 1 1 3  26 41  f 8.0550  1.1290 2.012000       2.258000  
1 1 1 3  26 42  o 4.8620  1.3390 -0.7036000E-02 2.677000  
1 1 1 3  26 43  o 5.6800  1.3970 -0.3082000     2.795000  
1 1 1 3  26 44  o 3.8440  1.2200 -0.5762000     2.440000  
1 1 1 3  26 45  o 5.3640  1.3740 -1.132000      2.749000  
1 1 1 3  26 46  o 5.2970  1.3940 0.6711000E-01  2.789000  
1 1 1 3  26 47  o 7.9650  1.2530 2.364000       2.505000  
1 1 1 3  26 48  o 4.9860  1.3570 -0.6525000     2.713000  
1 1 1 3  26 49  o 5.5070  1.3700 1.799000       2.739000  
1 1 1 3  26 50  o 4.1240  1.2470 -1.435000      2.495000  
1 1 1 3  26 51  o 4.7050  1.3620 1.116000       2.724000  
1 1 1 3  26 52  o 4.0520  1.2720 0.8275000E-01  2.545000  
1 1 1 3  26 53  o 4.3300  1.2890 -1.901000      2.577000  
1 1 1 3  26 54  f 5.5740  1.4660 0.4757000      2.933000  
1 1 1 3  26 55  o 7.3010  1.4630 -0.9354000E-01 2.926000  
1 1 1 3  26 56  o 6.2790  1.4200 2.157000       2.841000  
1 1 1 3  26 57  o 4.9880  1.2510 -4.048000      2.502000  
1 1 1 3  26 58  o 3.7400  1.2130 -0.2828000     2.426000  
1 1 1 3  26 59  o 3.7420  1.2110 0.2375000      2.422000  
1 1 1 3  26 60  o 3.7880  1.2160 -0.1496000     2.432000  
1 1 1 3  26 61  o 3.9650  1.2510 -0.2299000     2.502000  
1 1 1 3  26 62  f 3.7850  1.2170 1.245000       2.433000  
1 1 1 3  27 0   o 15.890  0.7493 0.000000       0.000000  
1 1 1 3  27 1   o 17.220  0.5010 0.1535000      1.002000  
1 1 1 3  27 2   o 9.4490  0.7559 0.6566000      1.512000  
1 1 1 3  27 3   o 5.9740  1.1970 -1.797000      2.393000  
1 1 1 3  27 4   f 11.380  0.6592 0.9593000      1.318000  
1 1 1 3  27 5   o 11.980  0.6147 1.373000       1.229000  
1 1 1 3  27 6   o 10.970  0.6783 -0.6072000     1.357000  
1 1 1 3  27 7   o 7.6400  0.9762 2.533000       1.952000  
1 1 1 3  27 8   o 9.3960  0.7611 0.8436000      1.522000  
1 1 1 3  27 9   o 11.260  0.7732 -3.113000      1.546000  
1 1 1 3  27 10  o 16.700  0.5093 1.032000       1.019000  
1 1 1 3  27 11  o 8.9530  0.8484 1.321000       1.697000  
1 1 1 3  27 12  o 11.720  0.7306 -1.797000      1.461000  
1 1 1 3  27 13  o 18.750  0.4853 -1.242000      0.9706000 
1 1 1 3  27 14  o 11.280  0.7127 5.535000       1.425000  
1 1 1 3  27 15  o 7.7750  0.9509 -0.2977000     1.902000  
1 1 1 3  27 16  o 4.5940  1.1660 -0.9924000     2.333000  
1 1 1 3  27 17  o 6.2480  1.1150 0.1422000      2.229000  
1 1 1 3  27 18  o 7.7270  0.9359 1.406000       1.872000  
1 1 1 3  27 19  o 8.5520  0.8903 -0.9288000     1.781000  
1 1 1 3  27 20  o 16.380  0.5155 -0.6229000     1.031000  
1 1 1 3  27 21  o 8.0250  0.9514 -0.1399000     1.903000  
1 1 1 3  27 22  o 5.8240  1.1770 -0.3178000     2.354000  
1 1 1 3  27 23  o 9.7800  0.7409 0.2564000      1.482000  
1 1 1 3  27 24  o 13.510  0.5938 -0.2837000     1.188000  
1 1 1 3  27 25  o 9.4680  0.8424 -2.694000      1.685000  
1 1 1 3  27 26  o 9.8020  0.8082 0.8662000      1.616000  
1 1 1 3  27 27  o 7.1400  1.0570 -0.7025000     2.114000  
1 1 1 3  27 28  o 10.690  0.7087 0.7159000      1.417000  
1 1 1 3  27 29  o 14.130  0.6038 0.3640000      1.208000  
1 1 1 3  27 30  o 10.800  0.7023 -0.3320000     1.405000  
1 1 1 3  27 31  o 11.300  0.6821 -1.575000      1.364000  
1 1 1 3  27 32  o 12.070  0.6768 0.9711000      1.354000  
1 1 1 3  27 33  o 7.0490  1.0670 1.891000       2.133000  
1 1 1 3  27 34  o 8.3120  0.9309 -0.5285000E-02 1.862000  
1 1 1 3  27 35  o 5.3290  1.2010 0.5181000      2.403000  
1 1 1 3  27 36  o 9.2690  0.8603 1.334000       1.721000  
1 1 1 3  27 37  o 5.6450  1.2260 0.3372000      2.452000  
1 1 1 3  27 38  o 5.9250  1.1800 -1.712000      2.359000  
1 1 1 3  27 39  o 4.5030  1.1620 1.801000       2.324000  
1 1 1 3  27 40  o 8.3980  1.1240 -2.896000      2.248000  
1 1 1 3  27 41  o 6.0340  1.3070 1.013000       2.614000  
1 1 1 3  27 42  o 5.7760  1.3990 -0.2255000     2.797000  
1 1 1 3  27 43  o 3.6790  1.1850 -0.6488000     2.371000  
1 1 1 3  27 44  o 4.0610  1.2630 0.5024000E-01  2.525000  
1 1 1 3  27 45  o 4.6960  1.3540 -0.9097000E-01 2.707000  
1 1 1 3  27 46  o 3.8820  1.2340 -0.9112000     2.468000  
1 1 1 3  27 47  o 5.5330  1.4290 0.1944000      2.858000  
1 1 1 3  27 48  o 5.9690  1.4400 -0.7088000     2.880000  
1 1 1 3  27 49  o 3.8790  1.2370 -0.6151000     2.473000  
1 1 1 3  27 50  o 4.6900  1.3500 -0.7780000E-01 2.700000  
1 1 1 3  27 51  o 4.8740  1.3630 -0.7093000     2.726000  
1 1 1 3  27 52  o 3.3970  1.1350 0.7112000      2.270000  
1 1 1 3  27 53  o 3.9660  1.2400 -0.2719000     2.480000  
1 1 1 3  27 54  o 10.100  1.1030 -1.364000      2.207000  
1 1 1 3  27 55  o 3.9280  1.2490 0.2249000      2.498000  
1 1 1 3  27 56  f 4.0370  1.2580 -0.7684000     2.517000  
1 1 1 3  27 57  o 4.5350  1.3280 -1.210000      2.655000  
1 1 1 3  27 58  o 4.0740  1.8090 ?              ?         
1 1 1 3  28 0   o 9.0120  1.2000 0.000000       0.000000  
1 1 1 3  28 1   o 9.2140  0.8133 -2.017000      1.627000  
1 1 1 3  28 2   f 10.900  0.6785 -0.9220000     1.357000  
1 1 1 3  28 3   f 8.7930  0.8375 0.3957000      1.675000  
1 1 1 3  28 4   o 7.1370  1.0360 -0.3013000     2.072000  
1 1 1 3  28 5   o 12.120  0.6319 0.8011000E-01  1.264000  
1 1 1 3  28 6   o 10.960  0.6720 0.3101000      1.344000  
1 1 1 3  28 7   o 7.3590  0.9956 -1.593000      1.991000  
1 1 1 3  28 8   o 8.9050  0.8577 -0.5300000     1.715000  
1 1 1 3  28 9   o 5.4530  1.1490 -1.230000      2.297000  
1 1 1 3  28 10  o 8.4480  0.8375 -0.5031000     1.675000  
1 1 1 3  28 11  o 11.570  0.6602 0.7106000      1.320000  
1 1 1 3  28 12  o 7.6200  0.9871 1.020000       1.974000  
1 1 1 3  28 13  o 5.8160  1.1240 1.125000       2.247000  
1 1 1 3  28 14  o 5.6600  1.1510 0.2528000      2.302000  
1 1 1 3  28 15  o 5.3620  1.1400 1.624000       2.281000  
1 1 1 3  28 16  o 13.380  0.6146 1.030000       1.229000  
1 1 1 3  28 17  o 9.8390  0.7621 1.215000       1.524000  
1 1 1 3  28 18  o 10.040  0.7489 -0.6138000     1.498000  
1 1 1 3  28 19  f 6.7330  1.1350 0.3452000      2.270000  
1 1 1 3  28 20  f 5.1740  1.1820 -0.6143000     2.364000  
1 1 1 3  28 21  o 8.8920  0.8200 1.372000       1.640000  
1 1 1 3  28 22  o 5.9610  1.1570 1.309000       2.314000  
1 1 1 3  28 23  o 6.3740  1.1410 -0.8099000     2.282000  
1 1 1 3  28 24  o 7.7680  0.9795 -1.227000      1.959000  
1 1 1 3  28 25  o 5.4210  1.1530 2.750000       2.306000  
1 1 1 3  28 26  o 12.510  0.6375 0.2832000      1.275000  
1 1 1 3  28 27  o 6.7470  1.1130 -1.618000      2.226000  
1 1 1 3  28 28  o 4.3060  1.1790 -0.3040000     2.357000  
1 1 1 3  28 29  o 6.4580  1.0930 -0.4297000     2.187000  
1 1 1 3  28 30  o 5.2170  1.1860 -0.5756000     2.372000  
1 1 1 3  28 31  o 6.4610  1.1760 -0.3905000     2.352000  
1 1 1 3  28 32  o 4.4100  1.1800 0.9624000      2.360000  
1 1 1 3  28 33  o 3.5540  1.0870 -0.3958000     2.174000  
1 1 1 3  28 34  o 8.7200  0.9053 0.1463000      1.811000  
1 1 1 3  28 35  o 9.9790  0.7829 -1.535000      1.566000  
1 1 1 3  28 36  o 4.4280  1.1810 -1.172000      2.362000  
1 1 1 3  28 37  o 4.1860  1.1780 -0.2722000     2.356000  
1 1 1 3  28 38  o 12.710  0.6409 -0.6661000     1.282000  
1 1 1 3  28 39  o 5.4480  1.1710 1.564000       2.342000  
1 1 1 3  28 40  o 3.1690  1.0240 -0.2291000     2.047000  
1 1 1 3  28 41  o 4.7920  1.2570 -1.881000      2.513000  
1 1 1 3  28 42  o 5.2250  1.2840 0.1782000      2.567000  
1 1 1 3  28 43  o 5.7750  1.4110 0.4927000E-02  2.823000  
1 1 1 3  28 44  o 4.0340  1.2460 -0.1709000     2.492000  
1 1 1 3  28 45  o 7.0450  1.3690 1.307000       2.739000  
1 1 1 3  28 46  o 3.3470  1.1180 0.2674000E-01  2.236000  
1 1 1 3  28 47  o 4.6270  1.2930 -1.983000      2.587000  
1 1 1 3  28 48  o 3.6570  1.1800 -0.7486000     2.359000  
1 1 1 3  28 49  o 5.2780  1.4080 0.2886000      2.815000  
1 1 1 3  28 50  o 4.8770  1.3760 -0.3619000     2.752000  
1 1 1 3  28 51  o 3.8840  1.2370 -0.7199000     2.474000  
1 1 1 3  28 52  o 4.3000  1.3240 -0.3073000     2.647000  
1 1 1 3  28 53  o 4.6300  1.4050 -0.4584000     2.809000  
1 1 1 3  28 54  o 3.2380  1.6580 ?              ?         
1 1 1 3  29 0   o 15.910  0.7541 -0.000000      0.000000  
1 1 1 3  29 1   o 10.980  0.7854 -3.426000      1.571000  
1 1 1 3  29 2   o 8.1650  0.9012 -1.395000      1.802000  
1 1 1 3  29 3   o 8.9150  0.8317 0.5907000      1.663000  
1 1 1 3  29 4   o 9.0740  0.8132 -1.163000      1.626000  
1 1 1 3  29 5   o 7.0900  0.9991 -0.8731000     1.998000  
1 1 1 3  29 6   o 11.020  0.6663 1.663000       1.333000  
1 1 1 3  29 7   o 9.1090  0.8447 -0.9704000     1.689000  
1 1 1 3  29 8   o 12.090  0.6463 0.4166000      1.293000  
1 1 1 3  29 9   o 15.610  0.5329 0.7613000      1.066000  
1 1 1 3  29 10  o 15.240  0.5418 1.812000       1.084000  
1 1 1 3  29 11  o 10.630  0.7058 -0.4746000     1.412000  
1 1 1 3  29 12  o 7.8390  0.9574 0.3920000      1.915000  
1 1 1 3  29 13  o 8.9570  0.8788 2.425000       1.758000  
1 1 1 3  29 14  o 11.120  0.6857 -0.7251000     1.371000  
1 1 1 3  29 15  o 7.1390  1.0390 0.1560000      2.077000  
1 1 1 3  29 16  o 6.0870  1.1660 1.121000       2.332000  
1 1 1 3  29 17  o 6.5280  1.0950 -1.009000      2.190000  
1 1 1 3  29 18  o 5.0860  1.1650 -1.479000      2.330000  
1 1 1 3  29 19  o 6.8590  1.0870 -1.985000      2.175000  
1 1 1 3  29 20  o 4.3920  1.1800 0.1387000      2.360000  
1 1 1 3  29 21  o 5.9400  1.1510 0.3009000E-01  2.302000  
1 1 1 3  29 22  o 7.4140  1.0340 0.2129000      2.069000  
1 1 1 3  29 23  o 6.4950  1.1170 1.590000       2.234000  
1 1 1 3  29 24  o 8.5690  0.9110 0.1024000      1.822000  
1 1 1 3  29 25  o 4.8690  1.2150 -0.8886000     2.430000  
1 1 1 3  29 26  o 7.5150  1.0270 0.2216000      2.053000  
1 1 1 3  29 27  o 9.4290  0.7958 -1.119000      1.592000  
1 1 1 3  29 28  o 5.6990  1.1730 0.6353000      2.346000  
1 1 1 3  29 29  o 8.6200  0.9350 -0.2646000     1.870000  
1 1 1 3  29 30  o 4.9620  1.2150 0.3940000      2.429000  
1 1 1 3  29 31  o 8.4670  0.9048 0.6650000      1.810000  
1 1 1 3  29 32  o 6.6370  1.1170 1.609000       2.235000  
1 1 1 3  29 33  o 5.4840  1.2070 -0.7588000     2.413000  
1 1 1 3  29 34  o 4.3620  1.1700 -1.469000      2.339000  
1 1 1 3  29 35  o 7.0830  1.0640 0.6590000      2.129000  
1 1 1 3  29 36  o 5.2200  1.1860 -1.313000      2.372000  
1 1 1 3  29 37  o 4.1970  1.1310 1.526000       2.263000  
1 1 1 3  29 38  o 7.1300  1.0580 1.339000       2.116000  
1 1 1 3  29 39  o 4.9660  1.2150 0.9104000E-01  2.430000  
1 1 1 3  29 40  o 4.1650  1.1990 -0.2560000     2.399000  
1 1 1 3  29 41  o 4.5690  1.2070 -1.010000      2.414000  
1 1 1 3  29 42  o 6.8070  1.2880 -0.7543000     2.576000  
1 1 1 3  29 43  o 5.5530  1.3240 0.6638000      2.647000  
1 1 1 3  29 44  o 4.3380  1.2930 1.502000       2.587000  
1 1 1 3  29 45  o 4.0120  1.2520 0.2449000      2.505000  
1 1 1 3  29 46  o 3.9120  1.2330 -0.4976000     2.465000  
1 1 1 3  29 47  o 4.1340  1.2640 -1.193000      2.528000  
1 1 1 3  29 48  o 3.9040  1.3390 -0.2503000     2.677000  
1 1 1 3  29 49  o 3.5820  1.8130 ?              ?         
1 1 1 3  30 0   o 9.1820  1.2960 0.000000       0.000000  
1 1 1 3  30 1   o 11.460  0.6955 -0.9627000     1.391000  
1 1 1 3  30 2   o 5.8940  1.1600 -0.9917000     2.320000  
1 1 1 3  30 3   o 5.5500  1.1810 -0.2250000     2.363000  
1 1 1 3  30 4   o 9.5970  0.8022 0.6075000      1.604000  
1 1 1 3  30 5   o 12.820  0.6379 1.130000       1.276000  
1 1 1 3  30 6   o 8.9800  0.8583 -1.223000      1.717000  
1 1 1 3  30 7   o 8.5560  0.8880 -0.8450000     1.776000  
1 1 1 3  30 8   o 10.370  0.7498 0.2854000      1.500000  
1 1 1 3  30 9   o 8.2520  0.9261 0.7428000      1.852000  
1 1 1 3  30 10  o 7.9180  0.9475 -0.3905000     1.895000  
1 1 1 3  30 11  o 4.1260  1.1510 0.2350000      2.302000  
1 1 1 3  30 12  o 8.7920  1.1020 5.420000       2.204000  
1 1 1 3  30 13  o 14.920  0.5692 0.3567000      1.138000  
1 1 1 3  30 14  o 10.810  0.7252 0.4425000      1.450000  
1 1 1 3  30 15  o 7.5690  1.0460 1.083000       2.092000  
1 1 1 3  30 16  o 9.2340  0.8974 -1.381000      1.795000  
1 1 1 3  30 17  o 10.250  0.7602 -0.4327000     1.520000  
1 1 1 3  30 18  o 7.3240  1.0260 0.3182000      2.052000  
1 1 1 3  30 19  o 8.1760  0.9704 1.908000       1.941000  
1 1 1 3  30 20  o 9.7420  0.7987 -0.3441000     1.597000  
1 1 1 3  30 21  o 3.5650  1.0890 1.023000       2.177000  
1 1 1 3  30 22  o 4.5240  1.1970 -0.9718000     2.393000  
1 1 1 3  30 23  o 10.540  0.7892 -0.2275000     1.578000  
1 1 1 3  30 24  o 8.2110  0.9682 1.438000       1.936000  
1 1 1 3  30 25  o 5.2320  1.1480 2.695000       2.296000  
1 1 1 3  30 26  f 6.2490  1.1930 -1.405000      2.387000  
1 1 1 3  30 27  o 3.1180  1.0170 0.7890000      2.035000  
1 1 1 3  30 28  o 5.5410  1.2060 0.1264000      2.413000  
1 1 1 3  30 29  o 6.6460  1.1150 -1.448000      2.231000  
1 1 1 3  30 30  o 7.9400  1.0160 -1.928000      2.032000  
1 1 1 3  30 31  f 4.9250  1.2250 0.8151000E-01  2.449000  
1 1 1 3  30 32  o 4.9100  1.2250 -0.8520000     2.451000  
1 1 1 3  30 33  f 6.0240  1.2000 -0.4472000     2.401000  
1 1 1 3  30 34  o 3.1420  1.0230 -0.7769000E-01 2.046000  
1 1 1 3  30 35  o 2.9780  0.9875 -0.2230000     1.975000  
1 1 1 3  30 36  o 3.4380  1.0790 0.2797000      2.159000  
1 1 1 3  30 37  o 3.9530  1.1570 -0.3025000     2.313000  
1 1 1 3  30 38  o 3.6510  1.1290 0.4272000      2.258000  
1 1 1 3  30 39  f 5.3430  1.2710 -0.7062000     2.541000  
1 1 1 3  30 40  o 3.0460  1.0080 0.8701000E-01  2.015000  
1 1 1 3  30 41  o 3.9130  1.2950 0.1712000      2.589000  
1 1 1 3  30 42  o 3.5380  1.2600 -0.1273000     2.520000  
1 1 1 3  30 43  o 3.5300  1.7840 ?              ?         
1 1 1 3  31 0   o 15.020  0.7946 0.000000       0.000000  
1 1 1 3  31 1   f 10.510  0.7605 1.319000       1.521000  
1 1 1 3  31 2   o 11.390  0.7107 0.4322000      1.421000  
1 1 1 3  31 3   o 11.480  0.7127 -1.613000      1.425000  
1 1 1 3  31 4   o 11.460  0.7200 -2.211000      1.440000  
1 1 1 3  31 5   o 5.4690  1.2170 0.5358000      2.433000  
1 1 1 3  31 6   o 4.7440  1.1820 1.511000       2.364000  
1 1 1 3  31 7   o 3.7300  1.0970 1.239000       2.194000  
1 1 1 3  31 8   f 7.6800  1.0070 -1.675000      2.014000  
1 1 1 3  31 9   o 8.7890  0.9124 -1.864000      1.825000  
1 1 1 3  31 10  o 10.050  0.8140 1.355000       1.628000  
1 1 1 3  31 11  o 7.7260  1.0270 -1.567000      2.055000  
1 1 1 3  31 12  o 6.6690  1.1100 -1.898000      2.219000  
1 1 1 3  31 13  o 11.940  0.6748 -0.9277000E-01 1.350000  
1 1 1 3  31 14  o 10.150  0.7987 1.495000       1.597000  
1 1 1 3  31 15  o 8.1450  1.0400 3.585000       2.081000  
1 1 1 3  31 16  o 11.700  0.7184 0.9259000      1.437000  
1 1 1 3  31 17  o 6.7810  1.1480 0.9179000E-01  2.297000  
1 1 1 3  31 18  f 5.5760  1.2200 -0.8161000     2.440000  
1 1 1 3  31 19  o 4.4790  1.1720 -1.695000      2.344000  
1 1 1 3  31 20  o 4.3000  1.1780 0.5237000      2.356000  
1 1 1 3  31 21  o 4.3000  1.1860 0.4577000      2.373000  
1 1 1 3  31 22  o 4.0210  1.1530 -1.653000      2.306000  
1 1 1 3  31 23  o 6.9700  1.1640 -0.5838000     2.328000  
1 1 1 3  31 24  o 4.6550  1.2110 0.9170000      2.422000  
1 1 1 3  31 25  o 4.1250  1.1740 -0.4260000     2.349000  
1 1 1 3  31 26  o 3.2580  1.0440 -0.2432000     2.087000  
1 1 1 3  31 27  o 3.6670  1.1180 -0.3730000     2.236000  
1 1 1 3  31 28  o 4.4540  1.1990 0.9352000      2.398000  
1 1 1 3  31 29  o 4.6900  1.1890 1.385000       2.378000  
1 1 1 3  31 30  o 6.1200  1.1650 1.468000       2.330000  
1 1 1 3  31 31  o 3.6740  1.0870 -1.623000      2.174000  
1 1 1 3  31 32  o 3.4690  1.0910 0.7489000E-01  2.182000  
1 1 1 3  31 33  o 4.0590  1.3130 0.7124000      2.627000  
1 1 1 3  31 34  o 3.5940  1.2430 -0.9298000E-02 2.487000  
1 1 1 3  31 35  o 3.7280  1.8590 ?              ?         
1 1 1 3  32 0   o 5.0090  2.0680 0.000000       0.000000  
1 1 1 3  32 1   o 5.4720  1.1790 -2.033000      2.359000  
1 1 1 3  32 2   o 9.5880  0.8508 -0.7718000     1.702000  
1 1 1 3  32 3   o 8.1920  0.9933 1.160000       1.987000  
1 1 1 3  32 4   o 9.1180  0.8895 1.130000       1.779000  
1 1 1 3  32 5   o 7.6490  1.0440 -1.021000      2.088000  
1 1 1 3  32 6   o 6.5850  1.1650 -0.4507000     2.331000  
1 1 1 3  32 7   o 6.8580  1.1420 -0.9278000     2.283000  
1 1 1 3  32 8   o 6.9200  1.1240 0.7122000      2.249000  
1 1 1 3  32 9   f 5.4050  1.2130 0.5254000E-01  2.425000  
1 1 1 3  32 10  o 3.4590  1.0750 -0.1635000     2.150000  
1 1 1 3  32 11  f 4.4000  1.1510 1.579000       2.302000  
1 1 1 3  32 12  o 4.4510  1.1470 1.989000       2.294000  
1 1 1 3  32 13  o 4.6910  1.2030 1.756000       2.406000  
1 1 1 3  32 14  o 6.2090  1.1930 2.393000       2.387000  
1 1 1 3  32 15  o 4.8060  1.1700 2.662000       2.340000  
1 1 1 3  32 16  o 5.5280  1.2650 0.3853000      2.531000  
1 1 1 3  32 17  o 7.5390  1.0860 -0.6947000     2.172000  
1 1 1 3  32 18  o 6.5140  1.1830 1.982000       2.366000  
1 1 1 3  32 19  o 6.2200  1.2030 -0.5648000     2.406000  
1 1 1 3  32 20  o 4.3620  1.2020 -0.7404000E-01 2.405000  
1 1 1 3  32 21  o 4.5610  1.2110 0.9270000      2.423000  
1 1 1 3  32 22  o 4.5310  1.2480 1.599000       2.497000  
1 1 1 3  32 23  o 4.6860  2.2320 ?              ?         
1 1 1 4  0  2   o 110.100 4.3510 0.000000       0.000000  
1 1 1 4  0  6   o 0.9398  0.5868 0.000000       0.000000  
1 1 1 4  0  8   o 86.320  3.3880 -0.000000      0.000000  
1 1 1 4  0  12  o 62.250  2.4370 0.000000       0.000000  
1 1 1 4  0  13  o 27.190  1.0850 0.000000       0.000000  
1 1 1 4  0  14  o 56.150  2.2000 0.000000       0.000000  
1 1 1 4  0  15  o 75.080  2.9410 0.000000       0.000000  
1 1 1 4  0  16  o 66.490  2.6040 0.000000       0.000000  
1 1 1 4  0  17  o 90.690  3.5520 -0.000000      0.000000  
1 1 1 4  0  18  o 173.400 6.8620 -0.000000      0.000000  
1 1 1 4  0  19  o 109.800 4.3140 -0.000000      0.000000  
1 1 1 4  0  20  o 8.1140  0.8975 0.000000       0.000000  
1 1 1 4  1  0   o 105.000 4.1340 0.000000       0.000000  
1 1 1 4  1  1   o 36.880  0.8827 -0.3219000     1.765000  
1 1 1 4  1  2   o 23.910  0.9385 ?              ?         
1 1 1 4  1  3   o 40.550  1.5910 -78.99000      3.183000  
1 1 1 4  1  4   o 27.050  1.0670 -51.49000      2.134000  
1 1 1 4  1  5   o 1.1800  0.5371 ?              ?         
1 1 1 4  1  6   o 51.920  2.0490 -100.8000      4.098000  
1 1 1 4  1  7   o 22.800  0.9078 -43.38000      1.816000  
1 1 1 4  1  8   o 54.130  2.1300 -104.7000      4.260000  
1 1 1 4  1  9   o 62.910  2.3910 -114.2000      4.782000  
1 1 1 4  1  10  o 26.150  0.7407 -8.136000      1.481000  
1 1 1 4  1  11  o 56.580  1.5630 0.4726000      3.125000  
1 1 1 4  1  12  o 78.250  2.1670 0.7210000      4.335000  
1 1 1 4  1  13  o 48.920  1.3530 0.8925000      2.707000  
1 1 1 4  1  14  o 59.600  1.6480 0.4650000      3.295000  
1 1 1 4  1  15  o 43.570  1.2090 -0.5471000     2.419000  
1 1 1 4  1  16  o 45.360  1.2580 -0.4270000     2.517000  
1 1 1 4  1  17  o 49.340  1.3680 -0.1911000     2.736000  
1 1 1 4  1  18  o 78.210  2.1660 -2.120000      4.331000  
1 1 1 4  1  19  o 29.830  0.8524 -0.5836000     1.705000  
1 1 1 4  1  20  o 78.320  2.1740 0.2629000      4.348000  
1 1 1 4  1  21  o 120.500 4.7690 ?              ?         
1 1 1 4  1  22  o 79.080  3.1040 ?              ?         
1 1 1 4  1  23  o 62.520  2.4570 ?              ?         
1 1 1 4  1  24  o 58.190  2.2890 ?              ?         
1 1 1 4  1  25  o 40.230  1.6040 ?              ?         
1 1 1 4  1  26  o 31.130  1.2770 ?              ?         
1 1 1 4  1  27  o 48.220  1.9140 ?              ?         
1 1 1 4  1  28  o 67.220  2.6550 ?              ?         
1 1 1 4  1  29  o 26.460  1.1400 ?              ?         
1 1 1 4  1  30  o 28.300  1.2060 ?              ?         
1 1 1 4  1  31  o 66.170  2.6380 ?              ?         
1 1 1 4  1  32  o 23.170  1.0740 ?              ?         
1 1 1 4  1  33  o 17.150  1.0070 ?              ?         
1 1 1 4  1  34  o 8.1730  1.4960 ?              ?         
1 1 1 4  1  35  o 11.980  1.1880 ?              ?         
1 1 1 4  1  36  o 28.100  1.2500 ?              ?         
1 1 1 4  1  37  o 29.320  1.2970 ?              ?         
1 1 1 4  1  38  o 13.660  1.1990 ?              ?         
1 1 1 4  1  39  o 29.570  1.3160 ?              ?         
1 1 1 4  1  40  o 34.660  1.4820 ?              ?         
1 1 1 4  1  41  o 22.500  1.1520 ?              ?         
1 1 1 4  1  42  o 15.500  1.2280 ?              ?         
1 1 1 4  1  43  o 28.410  1.3320 ?              ?         
1 1 1 4  1  44  o 18.820  1.2680 ?              ?         
1 1 1 4  1  45  o 25.010  1.3150 ?              ?         
1 1 1 4  1  46  o 43.770  1.8260 ?              ?         
1 1 1 4  1  75  o 10.0000 3.4990 ?              ?         
1 1 1 4  1  76  o 19.030  2.5760 ?              ?         
1 1 1 4  1  77  o 5.7900  2.7420 ?              ?         
1 1 1 4  1  78  o 8.8290  3.6200 ?              ?         
1 1 1 4  1  79  o 14.530  3.6450 ?              ?         
1 1 1 4  1  80  o 6.9940  3.2020 ?              ?         
1 1 1 4  1  81  o 7.4300  3.3100 ?              ?         
1 1 1 4  1  82  o 10.860  3.7240 ?              ?         
1 1 1 4  1  83  o 6.9560  3.1820 ?              ?         
1 1 1 4  1  84  o 8.1830  3.4390 ?              ?         
1 1 1 4  1  85  o 8.3430  3.4580 ?              ?         
1 1 1 4  1  86  o 7.3320  3.3400 ?              ?         
1 1 1 4  1  87  o 4.5700  2.3150 ?              ?         
1 1 1 4  1  88  o 6.0700  2.9210 ?              ?         
1 1 1 4  1  89  o 6.3890  3.0090 ?              ?         
1 1 1 4  1  90  o 6.0990  2.9310 ?              ?         
1 1 1 4  1  91  o 7.0220  3.1820 ?              ?         
1 1 1 4  1  92  o 5.4190  2.6350 ?              ?         
1 1 1 4  1  93  f 6.1870  2.9640 ?              ?         
1 1 1 4  1  94  o 7.4220  3.3550 ?              ?         
1 1 1 4  1  95  o 4.8530  2.4260 ?              ?         
1 1 1 4  1  96  o 6.6420  3.0590 ?              ?         
1 1 1 4  1  97  o 5.2100  2.5470 ?              ?         
1 1 1 4  1  98  o 3.9260  1.9910 ?              ?         
1 1 1 4  1  99  o 5.5310  2.6760 ?              ?         
1 1 1 4  1  100 o 4.3230  2.1130 ?              ?         
1 1 1 4  2  0   o 115.100 2.5930 -0.000000      0.000000  
1 1 1 4  2  1   o 25.700  0.3859 0.7097000      0.7717000 
1 1 1 4  2  2   o 75.640  1.1220 0.9145000      2.244000  
1 1 1 4  2  3   o 15.370  0.2767 0.2714000      0.5534000 
1 1 1 4  2  4   o 106.200 1.8910 2.211000       3.782000  
1 1 1 4  2  5   o 30.850  0.6054 1.299000       1.211000  
1 1 1 4  2  6   o 89.020  1.7340 -0.4348000     3.469000  
1 1 1 4  2  7   o 54.240  1.3120 3.884000       2.625000  
1 1 1 4  2  8   o 73.760  1.7720 2.131000       3.545000  
1 1 1 4  2  9   o 51.610  1.2370 1.035000       2.475000  
1 1 1 4  2  10  o 68.580  1.6420 0.7596000      3.284000  
1 1 1 4  2  11  o 58.040  1.3800 -1.781000      2.760000  
1 1 1 4  2  12  o 30.870  0.7507 0.1632000      1.501000  
1 1 1 4  2  13  o 69.320  1.9170 -0.2199000     3.834000  
1 1 1 4  2  14  o 49.500  1.3710 -0.4104000     2.741000  
1 1 1 4  2  15  o 36.670  1.0260 -2.090000      2.051000  
1 1 1 4  2  16  o 80.060  2.2140 -0.1229000     4.428000  
1 1 1 4  2  17  f 24.420  0.7120 0.5801000      1.424000  
1 1 1 4  2  18  o 76.740  2.1260 -1.575000      4.253000  
1 1 1 4  2  19  o 52.690  1.4630 -1.127000      2.926000  
1 1 1 4  2  20  o 27.370  0.7950 0.2226000      1.590000  
1 1 1 4  2  21  f 87.660  2.4340 -1.600000      4.869000  
1 1 1 4  2  22  o 75.340  2.0920 0.5867000      4.185000  
1 1 1 4  2  23  o 23.710  0.7266 -0.3254000     1.453000  
1 1 1 4  2  24  o 31.530  0.9109 0.5152000      1.822000  
1 1 1 4  2  25  o 11.560  0.6694 -1.256000      1.339000  
1 1 1 4  2  26  o 21.250  0.6947 -0.3267000     1.389000  
1 1 1 4  2  27  o 23.720  0.7434 -0.3910000     1.487000  
1 1 1 4  2  28  o 65.440  1.8310 -0.9083000     3.663000  
1 1 1 4  2  29  f 25.320  1.0970 ?              ?         
1 1 1 4  2  30  o 31.650  1.3170 ?              ?         
1 1 1 4  2  31  f 65.670  2.6260 ?              ?         
1 1 1 4  2  32  o 24.340  1.1030 ?              ?         
1 1 1 4  2  33  o 38.590  1.5760 ?              ?         
1 1 1 4  2  34  o 12.310  1.1090 ?              ?         
1 1 1 4  2  35  o 31.190  1.3320 ?              ?         
1 1 1 4  2  36  o 27.410  1.2390 ?              ?         
1 1 1 4  2  37  o 14.620  1.1470 ?              ?         
1 1 1 4  2  38  o 26.320  1.2250 ?              ?         
1 1 1 4  2  39  o 10.020  1.5880 ?              ?         
1 1 1 4  2  40  o 7.3570  1.9250 ?              ?         
1 1 1 4  2  41  o 12.830  1.3300 ?              ?         
1 1 1 4  2  42  f 18.500  1.1750 ?              ?         
1 1 1 4  2  43  o 5.9020  2.2140 ?              ?         
1 1 1 4  2  44  o 12.980  1.5290 ?              ?         
1 1 1 4  2  45  o 10.560  1.9500 ?              ?         
1 1 1 4  2  46  o 23.390  1.2680 ?              ?         
1 1 1 4  2  47  o 14.870  1.5100 ?              ?         
1 1 1 4  2  48  o 23.490  1.3670 ?              ?         
1 1 1 4  2  49  o 22.380  1.4210 ?              ?         
1 1 1 4  2  50  o 35.180  1.5800 ?              ?         
1 1 1 4  2  51  o 5.9580  2.4230 ?              ?         
1 1 1 4  2  52  o 8.6050  2.6080 ?              ?         
1 1 1 4  2  53  f 8.0420  2.6770 ?              ?         
1 1 1 4  2  54  o 35.580  1.6250 ?              ?         
1 1 1 4  2  55  o 19.420  1.5430 ?              ?         
1 1 1 4  2  56  o 25.800  1.5370 ?              ?         
1 1 1 4  2  57  o 12.520  2.3300 ?              ?         
1 1 1 4  2  58  o 8.3030  2.8440 ?              ?         
1 1 1 4  2  59  f 20.920  1.7980 ?              ?         
1 1 1 4  2  60  o 24.820  1.7460 ?              ?         
1 1 1 4  2  61  o 42.770  1.9720 ?              ?         
1 1 1 4  2  62  o 7.5400  2.8850 ?              ?         
1 1 1 4  2  63  o 29.150  1.7190 ?              ?         
1 1 1 4  2  64  o 39.730  1.8920 ?              ?         
1 1 1 4  2  65  o 38.730  1.8830 ?              ?         
1 1 1 4  2  66  o 37.080  1.8510 ?              ?         
1 1 1 4  2  67  o 9.9320  3.2850 ?              ?         
1 1 1 4  2  68  o 9.2960  3.3500 ?              ?         
1 1 1 4  2  69  o 14.370  3.0220 ?              ?         
1 1 1 4  2  70  o 9.3530  3.3810 ?              ?         
1 1 1 4  2  71  o 14.010  3.1710 ?              ?         
1 1 1 4  2  72  f 13.070  3.4150 ?              ?         
1 1 1 4  2  73  o 7.0880  3.1610 ?              ?         
1 1 1 4  2  74  o 8.7360  3.4880 ?              ?         
1 1 1 4  2  75  o 21.830  2.2920 ?              ?         
1 1 1 4  2  76  o 15.860  3.0740 ?              ?         
1 1 1 4  2  77  o 10.280  3.6010 ?              ?         
1 1 1 4  2  78  o 13.670  3.4770 ?              ?         
1 1 1 4  2  79  o 11.170  3.7040 ?              ?         
1 1 1 4  2  80  o 9.6000  3.6340 ?              ?         
1 1 1 4  2  81  o 7.8790  3.3750 ?              ?         
1 1 1 4  2  82  o 9.2450  3.7990 ?              ?         
1 1 1 4  2  83  o 6.4370  3.0890 ?              ?         
1 1 1 4  2  84  f 8.9710  3.7740 ?              ?         
1 1 1 4  2  85  o 5.8980  2.8780 ?              ?         
1 1 1 4  2  86  o 7.0290  3.2450 ?              ?         
1 1 1 4  2  87  o 9.4110  3.7770 ?              ?         
1 1 1 4  2  88  o 7.7210  3.4470 ?              ?         
1 1 1 4  2  89  o 8.5350  3.6670 ?              ?         
1 1 1 4  2  90  o 7.6980  3.3820 ?              ?         
1 1 1 4  2  91  o 6.3320  2.9740 ?              ?         
1 1 1 4  2  92  o 5.5820  2.6930 ?              ?         
1 1 1 4  2  93  o 7.0130  3.2410 ?              ?         
1 1 1 4  2  94  o 7.9040  3.4760 ?              ?         
1 1 1 4  2  95  o 6.6160  3.0950 ?              ?         
1 1 1 4  2  96  o 4.9000  2.4500 ?              ?         
1 1 1 4  2  97  o 4.8600  2.4270 ?              ?         
1 1 1 4  2  98  o 5.2140  2.5610 ?              ?         
1 1 1 4  2  99  o 4.9530  2.4170 ?              ?         
1 1 1 4  2  100 o 3.9040  1.9210 ?              ?         
1 1 1 4  3  0   o 93.640  1.8180 -0.000000      0.000000  
1 1 1 4  3  1   o 27.350  0.3804 0.2492000      0.7607000 
1 1 1 4  3  2   o 55.880  0.7675 -0.5330000     1.535000  
1 1 1 4  3  3   o 49.980  0.6877 -0.2451000     1.375000  
1 1 1 4  3  4   o 39.990  0.5956 -0.3203000     1.191000  
1 1 1 4  3  5   o 53.150  0.7878 1.327000       1.576000  
1 1 1 4  3  6   o 55.460  0.8243 -1.127000      1.649000  
1 1 1 4  3  7   o 43.470  0.6931 1.084000       1.386000  
1 1 1 4  3  8   o 40.460  0.7239 0.9021000      1.448000  
1 1 1 4  3  9   o 36.270  0.6507 0.3660000      1.301000  
1 1 1 4  3  10  f 45.030  0.8064 1.472000       1.613000  
1 1 1 4  3  11  o 152.900 3.0050 -1.399000      6.010000  
1 1 1 4  3  12  o 91.010  1.7730 0.1773000      3.546000  
1 1 1 4  3  13  o 24.430  0.5036 -1.489000      1.007000  
1 1 1 4  3  14  o 110.000 2.1450 1.979000       4.291000  
1 1 1 4  3  15  o 55.390  1.3310 -0.2486000E-01 2.661000  
1 1 1 4  3  16  o 58.500  1.3960 -1.485000      2.792000  
1 1 1 4  3  17  f 50.940  1.2300 1.192000       2.459000  
1 1 1 4  3  18  o 83.400  2.0070 1.272000       4.014000  
1 1 1 4  3  19  o 103.600 2.8610 ?              ?         
1 1 1 4  3  20  f 77.500  1.8580 -0.3913000     3.716000  
1 1 1 4  3  21  o 64.390  1.5460 -0.1147000     3.092000  
1 1 1 4  3  22  o 62.300  1.4990 0.1286000      2.999000  
1 1 1 4  3  23  o 42.400  1.0330 -0.2823000     2.066000  
1 1 1 4  3  24  o 26.900  0.6974 0.1562000      1.395000  
1 1 1 4  3  25  o 68.430  1.6530 0.2204000      3.306000  
1 1 1 4  3  26  o 35.470  0.8814 -0.7775000     1.763000  
1 1 1 4  3  27  o 17.670  0.5731 -0.3736000     1.146000  
1 1 1 4  3  28  o 35.040  0.8757 -0.9744000     1.751000  
1 1 1 4  3  29  o 22.650  0.6453 0.2864000      1.291000  
1 1 1 4  3  30  o 46.950  1.1490 -0.6966000     2.298000  
1 1 1 4  3  31  f 24.540  0.6832 -0.2296000     1.366000  
1 1 1 4  3  32  o 36.770  1.0720 1.248000       2.144000  
1 1 1 4  3  33  o 39.750  1.1510 -1.544000      2.303000  
1 1 1 4  3  34  o 38.080  1.1110 0.2981000      2.223000  
1 1 1 4  3  35  o 36.530  1.0720 0.7285000      2.145000  
1 1 1 4  3  36  o 27.590  0.8744 -0.4243000E-01 1.749000  
1 1 1 4  3  37  o 35.850  1.5070 ?              ?         
1 1 1 4  3  38  o 22.760  1.1540 ?              ?         
1 1 1 4  3  39  o 24.390  1.2050 ?              ?         
1 1 1 4  3  40  o 13.250  1.2580 ?              ?         
1 1 1 4  3  41  o 29.740  1.3260 ?              ?         
1 1 1 4  3  42  o 20.510  1.2020 ?              ?         
1 1 1 4  3  43  o 21.470  1.2310 ?              ?         
1 1 1 4  3  44  f 26.370  1.3070 ?              ?         
1 1 1 4  3  45  o 29.170  1.4060 ?              ?         
1 1 1 4  3  46  o 28.050  1.3630 ?              ?         
1 1 1 4  3  47  o 13.650  1.7010 ?              ?         
1 1 1 4  3  48  o 23.920  1.3350 ?              ?         
1 1 1 4  3  49  o 7.4080  2.4770 ?              ?         
1 1 1 4  3  50  o 22.500  1.3880 ?              ?         
1 1 1 4  3  51  f 7.7990  2.5690 ?              ?         
1 1 1 4  3  52  o 15.970  1.7590 ?              ?         
1 1 1 4  3  53  o 43.210  1.8500 ?              ?         
1 1 1 4  3  54  o 23.000  1.5380 ?              ?         
1 1 1 4  3  55  o 18.020  1.7050 ?              ?         
1 1 1 4  3  56  o 13.840  2.1530 ?              ?         
1 1 1 4  3  57  o 7.3530  2.6420 ?              ?         
1 1 1 4  3  58  o 18.520  1.7990 ?              ?         
1 1 1 4  3  59  f 25.730  1.6320 ?              ?         
1 1 1 4  3  60  o 23.830  1.7500 ?              ?         
1 1 1 4  3  61  o 30.570  1.7360 ?              ?         
1 1 1 4  3  62  o 24.750  1.6790 ?              ?         
1 1 1 4  3  63  o 10.160  3.1110 ?              ?         
1 1 1 4  3  64  o 34.930  1.8330 ?              ?         
1 1 1 4  3  65  o 18.170  2.2010 ?              ?         
1 1 1 4  3  66  o 28.380  1.8170 ?              ?         
1 1 1 4  3  67  o 10.290  3.3230 ?              ?         
1 1 1 4  3  68  o 16.680  2.7190 ?              ?         
1 1 1 4  3  69  o 25.730  1.8930 ?              ?         
1 1 1 4  3  70  o 8.4900  3.1680 ?              ?         
1 1 1 4  3  71  o 10.600  3.3010 ?              ?         
1 1 1 4  3  72  o 8.8470  3.3300 ?              ?         
1 1 1 4  3  73  o 10.010  3.4150 ?              ?         
1 1 1 4  3  74  o 13.900  3.4620 ?              ?         
1 1 1 4  3  75  o 8.3150  3.4570 ?              ?         
1 1 1 4  3  76  o 7.1270  3.1970 ?              ?         
1 1 1 4  3  77  f 11.920  3.7280 ?              ?         
1 1 1 4  3  78  o 7.5040  3.3130 ?              ?         
1 1 1 4  3  79  o 6.4640  3.0380 ?              ?         
1 1 1 4  3  80  o 7.4420  3.3180 ?              ?         
1 1 1 4  3  81  o 8.8250  3.6210 ?              ?         
1 1 1 4  3  82  o 8.4730  3.5800 ?              ?         
1 1 1 4  3  83  o 12.580  3.9280 ?              ?         
1 1 1 4  3  84  o 8.6950  3.6400 ?              ?         
1 1 1 4  3  85  o 7.9820  3.5010 ?              ?         
1 1 1 4  3  86  o 9.0590  3.7450 ?              ?         
1 1 1 4  3  87  o 6.6790  3.1100 ?              ?         
1 1 1 4  3  88  o 10.720  3.8710 ?              ?         
1 1 1 4  3  89  o 6.1760  2.9540 ?              ?         
1 1 1 4  3  90  o 7.0260  2.3000 -0.7401000E-01 4.599000  
1 1 1 4  3  91  o 6.4120  2.1390 0.6499000      4.277000  
1 1 1 4  3  92  f 6.0210  2.0360 0.3715000      4.072000  
1 1 1 4  3  93  o 5.8470  1.9900 1.787000       3.981000  
1 1 1 4  3  94  o 6.0210  2.0500 -1.279000      4.100000  
1 1 1 4  3  95  o 4.7480  1.6950 0.9412000      3.389000  
1 1 1 4  3  96  o 4.7270  1.6850 0.8870000      3.369000  
1 1 1 4  3  97  o 5.9000  1.9990 1.254000       3.998000  
1 1 1 4  3  98  o 4.9590  1.7360 0.1558000E-01  3.471000  
1 1 1 4  3  99  o 4.2910  1.5220 0.1416000      3.043000  
1 1 1 4  3  100 o 3.8450  1.3470 0.9352000      2.694000  
1 1 1 4  4  0   o 75.860  1.4710 0.000000       0.000000  
1 1 1 4  4  1   f 49.130  0.6752 -0.1915000E-01 1.350000  
1 1 1 4  4  2   o 79.150  1.0860 0.6747000      2.172000  
1 1 1 4  4  3   o 41.620  0.5735 0.7885000      1.147000  
1 1 1 4  4  4   o 14.320  0.2837 -0.8186000     0.5673000 
1 1 1 4  4  5   o 42.970  0.5920 0.3092000      1.184000  
1 1 1 4  4  6   o 43.530  0.5998 -0.1760000     1.200000  
1 1 1 4  4  7   o 56.790  0.8431 -0.1655000     1.686000  
1 1 1 4  4  8   f 95.420  1.4170 0.4138000      2.835000  
1 1 1 4  4  9   o 51.250  0.8187 0.2470000      1.637000  
1 1 1 4  4  10  o 52.020  0.9243 -1.596000      1.849000  
1 1 1 4  4  11  f 115.500 2.0520 -1.340000      4.104000  
1 1 1 4  4  12  o 59.820  1.0620 -0.8958000     2.124000  
1 1 1 4  4  13  o 69.950  1.3620 -0.6673000     2.724000  
1 1 1 4  4  14  o 82.600  1.6100 0.5437000E-01  3.219000  
1 1 1 4  4  15  o 74.230  1.4480 -0.3005000     2.895000  
1 1 1 4  4  16  o 16.630  0.5823 ?              ?         
1 1 1 4  4  17  o 59.050  1.1550 0.6344000      2.310000  
1 1 1 4  4  18  o 87.720  1.7120 1.678000       3.423000  
1 1 1 4  4  19  o 27.710  0.5798 -0.5748000     1.160000  
1 1 1 4  4  20  o 71.460  1.3970 0.6713000      2.793000  
1 1 1 4  4  21  o 122.000 2.3950 0.8572000E-01  4.790000  
1 1 1 4  4  22  o 64.640  1.2670 0.6630000      2.535000  
1 1 1 4  4  23  o 48.530  1.1780 -0.9884000     2.356000  
1 1 1 4  4  24  o 26.530  0.5708 0.1734000      1.142000  
1 1 1 4  4  25  o 23.840  0.6411 -0.3347000     1.282000  
1 1 1 4  4  26  f 61.370  1.4870 0.3018000      2.974000  
1 1 1 4  4  27  o 31.210  0.7965 -0.9176000     1.593000  
1 1 1 4  4  28  o 33.790  0.8515 -0.4003000     1.703000  
1 1 1 4  4  29  o 69.010  1.6820 -0.2281000     3.364000  
1 1 1 4  4  30  o 9.0180  0.8225 1.246000       1.645000  
1 1 1 4  4  31  o 13.600  0.6674 -0.5352000     1.335000  
1 1 1 4  4  32  o 25.900  0.7214 0.7184000      1.443000  
1 1 1 4  4  33  o 29.930  0.7975 -0.9465000     1.595000  
1 1 1 4  4  34  o 18.550  0.6516 0.2123000      1.303000  
1 1 1 4  4  35  o 15.780  0.6977 -1.175000      1.395000  
1 1 1 4  4  36  o 23.160  0.7132 0.1749000      1.426000  
1 1 1 4  4  37  o 18.300  0.6911 -0.4218000     1.382000  
1 1 1 4  4  38  o 22.750  0.7157 0.3698000      1.431000  
1 1 1 4  4  39  o 14.520  0.7495 0.1570000      1.499000  
1 1 1 4  4  40  o 30.590  0.8405 0.3955000      1.681000  
1 1 1 4  4  41  f 38.280  0.9925 -0.6340000     1.985000  
1 1 1 4  4  42  o 11.950  1.0360 0.1893000      2.072000  
1 1 1 4  4  43  o 30.450  1.0260 -0.7171000     2.052000  
1 1 1 4  4  44  o 27.830  0.9996 2.087000       1.999000  
1 1 1 4  4  45  o 38.650  1.1950 0.5570000      2.391000  
1 1 1 4  4  46  o 16.590  1.0800 -0.3528000     2.160000  
1 1 1 4  4  47  o 21.240  1.0250 2.083000       2.049000  
1 1 1 4  4  48  o 14.100  1.3360 1.329000       2.673000  
1 1 1 4  4  49  o 14.970  1.2840 0.1097000      2.568000  
1 1 1 4  4  50  o 17.920  1.1570 0.6213000      2.314000  
1 1 1 4  4  51  o 35.340  1.1710 0.3476000      2.343000  
1 1 1 4  4  52  o 37.550  1.2210 0.2424000      2.442000  
1 1 1 4  4  53  o 12.620  1.6670 3.448000       3.334000  
1 1 1 4  4  54  o 24.570  1.1900 0.9130000      2.381000  
1 1 1 4  4  55  o 17.910  1.4240 1.942000       2.847000  
1 1 1 4  4  56  o 23.540  1.2170 -1.431000      2.434000  
1 1 1 4  4  57  o 23.870  1.2530 1.078000       2.505000  
1 1 1 4  4  58  o 9.0090  2.0710 1.312000       4.142000  
1 1 1 4  4  59  o 39.860  1.3240 -0.1664000     2.648000  
1 1 1 4  4  60  o 10.440  2.0870 4.252000       4.174000  
1 1 1 4  4  61  o 25.210  1.2810 2.677000       2.562000  
1 1 1 4  4  62  o 8.7400  2.1970 -1.325000      4.393000  
1 1 1 4  4  63  o 9.9830  2.2490 0.7405000      4.498000  
1 1 1 4  4  64  o 22.630  1.4000 -0.7697000E-01 2.800000  
1 1 1 4  4  65  o 28.560  1.2880 -0.6988000     2.575000  
1 1 1 4  4  66  o 15.450  1.8530 -0.3078000     3.707000  
1 1 1 4  4  67  o 18.600  1.6420 -0.2141000     3.284000  
1 1 1 4  4  68  o 16.810  1.9400 -4.253000      3.880000  
1 1 1 4  4  69  o 8.6300  2.3870 0.4634000      4.774000  
1 1 1 4  4  70  o 9.1280  2.4120 -0.9684000     4.824000  
1 1 1 4  4  71  o 6.8280  2.1780 -0.2710000     4.357000  
1 1 1 4  4  72  f 11.100  2.5910 -2.722000      5.182000  
1 1 1 4  4  73  o 17.500  2.2090 2.972000       4.417000  
1 1 1 4  4  74  f 17.330  2.3000 1.694000       4.600000  
1 1 1 4  4  75  o 14.540  2.6100 -2.521000      5.220000  
1 1 1 4  4  76  o 8.4160  2.5240 0.9486000      5.047000  
1 1 1 4  4  77  o 11.040  2.7800 -3.030000      5.559000  
1 1 1 4  4  78  o 7.9440  2.4530 1.726000       4.906000  
1 1 1 4  4  79  o 8.7370  2.5680 2.371000       5.135000  
1 1 1 4  4  80  o 7.8520  2.4030 1.544000       4.807000  
1 1 1 4  4  81  o 8.8160  2.5950 -1.875000      5.190000  
1 1 1 4  4  82  o 11.110  2.7730 -5.688000      5.545000  
1 1 1 4  4  83  o 7.5680  2.4280 -2.502000      4.855000  
1 1 1 4  4  84  f 6.8000  2.2360 1.104000       4.472000  
1 1 1 4  4  85  o 7.8180  2.4500 -4.080000      4.899000  
1 1 1 4  4  86  o 7.4580  2.4140 -2.858000      4.828000  
1 1 1 4  4  87  f 7.2510  2.3850 0.4777000      4.771000  
1 1 1 4  4  88  o 7.1070  2.3410 1.806000       4.682000  
1 1 1 4  4  89  o 6.2390  2.1450 -0.7242000     4.290000  
1 1 1 4  4  90  o 6.6210  2.1980 -3.160000      4.396000  
1 1 1 4  4  91  o 6.1880  2.0870 -0.5001000     4.174000  
1 1 1 4  4  92  f 6.6140  2.1690 1.121000       4.338000  
1 1 1 4  4  93  o 6.3930  2.1380 -0.7111000     4.277000  
1 1 1 4  4  94  o 5.5930  1.9450 1.360000       3.889000  
1 1 1 4  4  95  o 6.6320  2.2070 -0.7252000     4.413000  
1 1 1 4  4  96  o 5.7740  1.9850 -0.9297000     3.970000  
1 1 1 4  4  97  o 5.9850  2.0230 0.1267000      4.047000  
1 1 1 4  4  98  o 4.4440  1.5890 1.077000       3.178000  
1 1 1 4  4  99  o 3.7630  1.3430 0.2323000      2.686000  
1 1 1 4  4  100 o 4.2040  1.4340 -0.8548000     2.868000  
1 1 1 4  5  0   o 59.250  1.1520 0.000000       0.000000  
1 1 1 4  5  1   o 49.900  0.6862 0.4869000      1.372000  
1 1 1 4  5  2   o 40.120  0.5539 0.1451000      1.108000  
1 1 1 4  5  3   o 66.330  0.9104 -0.1011000     1.821000  
1 1 1 4  5  4   o 92.840  1.2730 0.2633000      2.547000  
1 1 1 4  5  5   o 23.200  0.3332 -0.1000000     0.6664000 
1 1 1 4  5  6   o 98.170  1.3480 1.157000       2.696000  
1 1 1 4  5  7   o 36.840  0.5118 0.3670000      1.024000  
1 1 1 4  5  8   o 22.400  0.3239 0.1136000      0.6478000 
1 1 1 4  5  9   o 82.690  1.2260 0.9040000      2.451000  
1 1 1 4  5  10  o 31.980  0.4846 0.3630000      0.9692000 
1 1 1 4  5  11  o 54.430  0.8105 -0.4302000     1.621000  
1 1 1 4  5  12  o 66.120  1.1780 0.8817000      2.356000  
1 1 1 4  5  13  o 20.680  0.4060 -0.2411000     0.8120000 
1 1 1 4  5  14  o 61.560  1.0990 1.385000       2.197000  
1 1 1 4  5  15  o 35.010  0.6369 0.1374000E-01  1.274000  
1 1 1 4  5  16  o 46.500  0.9152 0.5838000      1.830000  
1 1 1 4  5  17  o 47.500  0.9355 -0.9651000E-02 1.871000  
1 1 1 4  5  18  o 72.330  1.4130 0.5978000      2.827000  
1 1 1 4  5  19  o 77.420  1.5130 0.5782000      3.026000  
1 1 1 4  5  20  o 45.710  0.9043 -0.5699000E-02 1.809000  
1 1 1 4  5  21  o 54.370  1.0700 0.1376000      2.140000  
1 1 1 4  5  22  o 51.250  1.0110 0.2068000E-01  2.022000  
1 1 1 4  5  23  f 66.900  1.3130 0.5165000      2.626000  
1 1 1 4  5  24  f 81.760  1.6050 -0.3940000     3.210000  
1 1 1 4  5  25  o 31.000  0.6500 -0.4246000     1.300000  
1 1 1 4  5  26  o 34.640  0.7145 0.3333000      1.429000  
1 1 1 4  5  27  o 32.170  0.8292 -0.9203000     1.658000  
1 1 1 4  5  28  o 81.460  1.6090 1.257000       3.217000  
1 1 1 4  5  29  o 24.400  0.5706 0.2295000      1.141000  
1 1 1 4  5  30  o 38.320  0.7842 0.6033000      1.568000  
1 1 1 4  5  31  o 24.760  0.5792 -0.4204000     1.158000  
1 1 1 4  5  32  o 24.770  0.7056 0.5957000      1.411000  
1 1 1 4  5  33  o 33.350  0.8647 -0.6868000     1.729000  
1 1 1 4  5  34  o 36.960  0.9454 0.1637000      1.891000  
1 1 1 4  5  35  o 49.680  1.2330 0.1383000      2.466000  
1 1 1 4  5  36  o 24.350  0.7188 -0.6936000     1.438000  
1 1 1 4  5  37  o 7.2410  1.2380 -0.3685000E-01 2.476000  
1 1 1 4  5  38  o 26.370  0.7668 -1.449000      1.534000  
1 1 1 4  5  39  o 23.250  0.7378 -1.931000      1.476000  
1 1 1 4  5  40  o 27.640  0.7996 -1.409000      1.599000  
1 1 1 4  5  41  o 9.5220  1.2210 -0.1575000     2.442000  
1 1 1 4  5  42  o 45.370  1.1490 -1.023000      2.299000  
1 1 1 4  5  43  o 16.750  0.8645 -0.2568000     1.729000  
1 1 1 4  5  44  o 9.7730  1.3640 -3.999000      2.728000  
1 1 1 4  5  45  o 22.080  0.8289 -0.3831000     1.658000  
1 1 1 4  5  46  o 6.5780  1.5110 2.363000       3.021000  
1 1 1 4  5  47  o 16.010  0.9149 -1.649000      1.830000  
1 1 1 4  5  48  o 25.620  0.8842 -0.4128000E-01 1.768000  
1 1 1 4  5  49  o 16.800  0.9729 0.8751000      1.946000  
1 1 1 4  5  50  o 8.2480  1.8670 -1.085000      3.734000  
1 1 1 4  5  51  o 31.840  1.1370 0.3598000      2.275000  
1 1 1 4  5  52  o 27.620  1.1100 -1.484000      2.220000  
1 1 1 4  5  53  o 22.190  1.1970 2.344000       2.395000  
1 1 1 4  5  54  f 39.230  1.2800 2.262000       2.560000  
1 1 1 4  5  55  o 17.240  1.5410 0.5347000      3.081000  
1 1 1 4  5  56  o 14.160  1.6990 -0.7808000     3.397000  
1 1 1 4  5  57  o 21.440  1.3430 0.3691000      2.686000  
1 1 1 4  5  58  o 21.010  1.2540 -1.421000      2.507000  
1 1 1 4  5  59  o 39.550  1.3240 -0.2068000     2.647000  
1 1 1 4  5  60  o 15.960  1.5630 -2.674000      3.126000  
1 1 1 4  5  61  o 11.450  1.9690 5.844000       3.937000  
1 1 1 4  5  62  f 31.030  1.3120 1.374000       2.624000  
1 1 1 4  5  63  o 7.9400  2.1900 -0.9517000     4.381000  
1 1 1 4  5  64  o 11.460  2.2300 -2.073000      4.460000  
1 1 1 4  5  65  o 13.650  2.1650 -1.337000      4.331000  
1 1 1 4  5  66  o 7.5390  2.2150 -2.913000      4.430000  
1 1 1 4  5  67  o 8.6680  2.3150 0.9412000      4.631000  
1 1 1 4  5  68  o 10.110  2.1890 5.171000       4.378000  
1 1 1 4  5  69  o 19.420  1.7380 -0.4626000     3.477000  
1 1 1 4  5  70  o 13.130  2.3500 -4.543000      4.701000  
1 1 1 4  5  71  o 7.5900  2.2780 0.7485000      4.556000  
1 1 1 4  5  72  o 15.800  2.2470 2.249000       4.493000  
1 1 1 4  5  73  o 10.620  2.4660 3.982000       4.932000  
1 1 1 4  5  74  o 7.6810  2.3940 -0.3762000     4.788000  
1 1 1 4  5  75  o 9.0540  2.5700 2.575000       5.139000  
1 1 1 4  5  76  o 6.9550  2.2460 -0.3998000E-01 4.493000  
1 1 1 4  5  77  o 9.0460  2.5800 0.3851000E-01  5.159000  
1 1 1 4  5  78  o 7.1920  2.3150 -2.026000      4.630000  
1 1 1 4  5  79  o 8.2420  2.5170 0.1589000      5.033000  
1 1 1 4  5  80  o 7.9170  2.4190 2.719000       4.839000  
1 1 1 4  5  81  o 6.6770  2.2210 1.166000       4.441000  
1 1 1 4  5  82  o 12.360  2.8620 -6.039000      5.724000  
1 1 1 4  5  83  o 7.9950  2.5510 -2.541000      5.102000  
1 1 1 4  5  84  o 9.2690  2.7350 1.944000       5.471000  
1 1 1 4  5  85  o 8.3790  2.5290 4.234000       5.057000  
1 1 1 4  5  86  o 7.5370  2.4350 1.291000       4.869000  
1 1 1 4  5  87  o 6.4410  2.1990 -1.569000      4.398000  
1 1 1 4  5  88  o 6.4370  2.1960 -0.1685000     4.392000  
1 1 1 4  5  89  o 6.3850  2.1820 -0.4599000E-01 4.365000  
1 1 1 4  5  90  o 7.1850  2.3500 0.2665000      4.701000  
1 1 1 4  5  91  o 5.7520  1.9700 -0.4640000     3.941000  
1 1 1 4  5  92  o 7.0440  2.2730 0.2155000      4.545000  
1 1 1 4  5  93  o 6.7010  2.1830 -2.899000      4.365000  
1 1 1 4  5  94  f 5.0770  1.7890 0.3386000      3.578000  
1 1 1 4  5  95  o 5.1400  1.8070 -1.299000      3.615000  
1 1 1 4  5  96  o 4.9780  1.7450 0.3107000      3.490000  
1 1 1 4  5  97  o 4.5570  1.6200 -0.2564000     3.240000  
1 1 1 4  5  98  o 4.1230  1.4790 -0.5984000     2.959000  
1 1 1 4  5  99  o 4.1040  1.4280 0.2364000      2.856000  
1 1 1 4  5  100 o 3.7630  1.8620 ?              ?         
1 1 1 4  6  0   o 27.130  0.5418 -0.000000      0.000000  
1 1 1 4  6  1   o 58.250  0.8001 -0.4864000     1.600000  
1 1 1 4  6  2   o 70.210  0.9636 0.9967000      1.927000  
1 1 1 4  6  3   o 16.320  0.2767 -1.056000      0.5534000 
1 1 1 4  6  4   o 90.700  1.2450 1.219000       2.491000  
1 1 1 4  6  5   o 46.340  0.6401 -0.7217000     1.280000  
1 1 1 4  6  6   o 34.510  0.4807 0.6676000      0.9615000 
1 1 1 4  6  7   o 49.020  0.6761 -0.6324000E-01 1.352000  
1 1 1 4  6  8   o 74.220  1.0220 0.1366000      2.044000  
1 1 1 4  6  9   f 55.130  0.7613 0.2704000      1.523000  
1 1 1 4  6  10  o 33.740  0.4727 -0.5759000     0.9453000 
1 1 1 4  6  11  o 51.870  0.7726 0.9066000      1.545000  
1 1 1 4  6  12  o 44.690  0.6696 -0.4712000     1.339000  
1 1 1 4  6  13  o 37.590  0.5668 0.7662000      1.134000  
1 1 1 4  6  14  o 75.150  1.1950 -0.2939000     2.390000  
1 1 1 4  6  15  o 19.650  0.5024 ?              ?         
1 1 1 4  6  16  o 37.920  0.6896 0.1311000      1.379000  
1 1 1 4  6  17  o 88.190  1.5690 -1.118000      3.137000  
1 1 1 4  6  18  o 31.030  0.5776 -0.6425000     1.155000  
1 1 1 4  6  19  o 44.010  0.8727 0.6318000      1.745000  
1 1 1 4  6  20  o 98.410  1.9310 -0.4452000     3.862000  
1 1 1 4  6  21  o 23.060  0.5168 0.2758000      1.034000  
1 1 1 4  6  22  o 21.750  0.5032 0.2801000      1.006000  
1 1 1 4  6  23  o 25.340  0.6915 -0.4689000     1.383000  
1 1 1 4  6  24  o 76.800  1.5120 0.5804000E-01  3.023000  
1 1 1 4  6  25  o 15.310  0.4867 0.4743000      0.9735000 
1 1 1 4  6  26  o 58.580  1.1590 -0.7985000     2.319000  
1 1 1 4  6  27  o 15.720  0.5089 -1.015000      1.018000  
1 1 1 4  6  28  o 29.090  0.6291 -0.4016000E-01 1.258000  
1 1 1 4  6  29  o 11.630  0.5978 -1.460000      1.196000  
1 1 1 4  6  30  o 6.6470  0.9823 0.6868000E-01  1.965000  
1 1 1 4  6  31  o 23.890  0.5733 -0.2146000     1.147000  
1 1 1 4  6  32  o 36.510  0.7619 0.9017000      1.524000  
1 1 1 4  6  33  o 26.440  0.6188 -0.2934000E-01 1.238000  
1 1 1 4  6  34  o 31.480  0.6878 -0.2856000     1.376000  
1 1 1 4  6  35  o 11.210  0.7237 -0.2371000     1.447000  
1 1 1 4  6  36  o 5.6870  1.2150 -1.152000      2.430000  
1 1 1 4  6  37  o 20.540  0.5964 0.3730000      1.193000  
1 1 1 4  6  38  o 22.360  0.6027 -1.249000      1.205000  
1 1 1 4  6  39  f 16.110  0.7712 -0.5439000     1.542000  
1 1 1 4  6  40  o 29.190  0.8368 2.020000       1.674000  
1 1 1 4  6  41  o 51.540  1.2930 0.2850000      2.586000  
1 1 1 4  6  42  o 29.360  0.8558 -0.1700000     1.712000  
1 1 1 4  6  43  o 20.270  0.8030 -0.2007000     1.606000  
1 1 1 4  6  44  o 21.760  0.8156 -0.9397000E-01 1.631000  
1 1 1 4  6  45  o 30.340  0.8922 0.6785000      1.784000  
1 1 1 4  6  46  o 14.640  1.0310 -1.038000      2.062000  
1 1 1 4  6  47  o 9.9610  1.3550 -1.730000      2.710000  
1 1 1 4  6  48  o 31.940  0.9280 0.4881000      1.856000  
1 1 1 4  6  49  o 17.500  0.9895 -0.2046000     1.979000  
1 1 1 4  6  50  o 22.250  0.9194 -0.5970000     1.839000  
1 1 1 4  6  51  o 24.720  0.9104 0.8697000      1.821000  
1 1 1 4  6  52  o 5.2980  1.6190 0.1896000      3.238000  
1 1 1 4  6  53  o 36.810  1.0450 -0.6379000     2.090000  
1 1 1 4  6  54  o 21.320  0.9776 -0.5785000     1.955000  
1 1 1 4  6  55  o 46.930  1.2450 1.005000       2.490000  
1 1 1 4  6  56  o 24.890  1.1870 1.356000       2.374000  
1 1 1 4  6  57  o 35.140  1.2410 -0.8928000     2.482000  
1 1 1 4  6  58  o 28.640  1.1710 -1.839000      2.342000  
1 1 1 4  6  59  o 33.730  1.2750 -0.6046000E-01 2.550000  
1 1 1 4  6  60  o 21.850  1.3420 0.1190000      2.683000  
1 1 1 4  6  61  o 13.830  2.0050 -4.824000      4.010000  
1 1 1 4  6  62  o 21.330  1.3920 -1.900000      2.784000  
1 1 1 4  6  63  o 8.5100  2.2120 2.684000       4.425000  
1 1 1 4  6  64  f 6.7450  2.0630 -0.5994000E-01 4.127000  
1 1 1 4  6  65  o 10.230  2.2410 3.519000       4.482000  
1 1 1 4  6  66  o 11.150  2.4430 1.148000       4.887000  
1 1 1 4  6  67  o 9.6490  2.3150 1.535000       4.630000  
1 1 1 4  6  68  o 12.240  2.3440 -1.450000      4.689000  
1 1 1 4  6  69  o 10.450  2.4510 -4.298000      4.902000  
1 1 1 4  6  70  o 11.130  2.4350 -4.356000      4.871000  
1 1 1 4  6  71  o 8.9610  2.3580 2.477000       4.717000  
1 1 1 4  6  72  o 20.600  1.7930 -0.6275000     3.585000  
1 1 1 4  6  73  o 10.120  2.6360 -3.408000      5.272000  
1 1 1 4  6  74  o 9.8790  2.7010 -0.1015000     5.403000  
1 1 1 4  6  75  o 10.230  2.6980 -0.4014000     5.395000  
1 1 1 4  6  76  o 13.550  2.7200 -1.978000      5.441000  
1 1 1 4  6  77  o 7.5210  2.3930 -1.523000      4.786000  
1 1 1 4  6  78  f 11.610  2.8440 -0.6981000     5.688000  
1 1 1 4  6  79  o 7.4330  2.3990 -1.921000      4.798000  
1 1 1 4  6  80  o 14.000  2.7650 2.858000       5.529000  
1 1 1 4  6  81  o 15.390  2.8360 -4.262000      5.672000  
1 1 1 4  6  82  o 8.0750  2.5260 1.562000       5.051000  
1 1 1 4  6  83  o 7.0790  2.3380 0.3254000      4.676000  
1 1 1 4  6  84  o 7.8390  2.4960 0.7562000      4.993000  
1 1 1 4  6  85  o 6.7790  2.2870 -0.6599000E-01 4.574000  
1 1 1 4  6  86  o 6.5040  2.2150 0.8200000      4.429000  
1 1 1 4  6  87  o 7.6990  2.5100 -0.6573000     5.020000  
1 1 1 4  6  88  o 7.4760  2.4460 0.2760000      4.892000  
1 1 1 4  6  89  o 6.6770  2.2220 2.698000       4.444000  
1 1 1 4  6  90  o 6.2660  2.1170 -0.1374000     4.235000  
1 1 1 4  6  91  o 5.2400  1.8370 0.7695000      3.674000  
1 1 1 4  6  92  o 7.3360  2.2820 3.941000       4.563000  
1 1 1 4  6  93  o 5.4270  1.9170 1.629000       3.835000  
1 1 1 4  6  94  o 6.0490  2.0950 1.273000       4.189000  
1 1 1 4  6  95  o 5.7340  1.9820 0.1060000      3.964000  
1 1 1 4  6  96  o 5.5220  1.8980 0.3973000      3.797000  
1 1 1 4  6  97  o 4.6590  1.6500 -1.082000      3.300000  
1 1 1 4  6  98  o 3.7430  1.3380 -0.8775000E-02 2.677000  
1 1 1 4  6  99  o 4.6220  1.5490 0.4538000      3.099000  
1 1 1 4  7  0   o 87.050  1.6900 -0.000000      0.000000  
1 1 1 4  7  1   o 31.490  0.4416 0.9314000E-01  0.8831000 
1 1 1 4  7  2   o 25.640  0.3670 -0.4751000     0.7340000 
1 1 1 4  7  3   o 97.240  1.3350 1.303000       2.671000  
1 1 1 4  7  4   o 31.390  0.4432 0.3401000      0.8863000 
1 1 1 4  7  5   o 24.370  0.3517 -0.3676000     0.7033000 
1 1 1 4  7  6   o 56.850  0.7829 1.769000       1.566000  
1 1 1 4  7  7   o 31.470  0.4455 0.3255000      0.8910000 
1 1 1 4  7  8   o 97.200  1.3360 0.9013000      2.673000  
1 1 1 4  7  9   f 27.680  0.4582 -0.2473000     0.9164000 
1 1 1 4  7  10  o 68.760  0.9468 0.7351000      1.894000  
1 1 1 4  7  11  o 48.340  0.6694 0.2465000      1.339000  
1 1 1 4  7  12  o 40.750  0.5676 0.5215000      1.135000  
1 1 1 4  7  13  o 45.310  0.7258 -0.1864000     1.452000  
1 1 1 4  7  14  o 88.920  1.3230 0.3582000      2.647000  
1 1 1 4  7  15  o 51.920  0.7783 -0.2349000     1.557000  
1 1 1 4  7  16  f 46.690  0.7504 0.3106000      1.501000  
1 1 1 4  7  17  o 23.730  0.4145 0.2413000      0.8291000 
1 1 1 4  7  18  o 39.450  0.7198 1.153000       1.440000  
1 1 1 4  7  19  f 28.970  0.5478 0.6864000      1.096000  
1 1 1 4  7  20  o 51.420  0.9255 0.6409000E-03  1.851000  
1 1 1 4  7  21  o 49.360  0.8914 -0.2544000     1.783000  
1 1 1 4  7  22  o 25.270  0.5592 -0.2480000     1.118000  
1 1 1 4  7  23  f 33.010  0.6833 -0.7955000E-01 1.367000  
1 1 1 4  7  24  o 43.550  0.8728 0.6149000      1.746000  
1 1 1 4  7  25  o 37.780  0.7721 -0.3447000     1.544000  
1 1 1 4  7  26  o 16.560  0.5144 -0.5849000     1.029000  
1 1 1 4  7  27  o 35.570  0.7344 0.1414000      1.469000  
1 1 1 4  7  28  o 7.8410  0.8081 -1.557000      1.616000  
1 1 1 4  7  29  o 10.330  0.6876 0.4517000E-01  1.375000  
1 1 1 4  7  30  f 32.440  0.6911 0.2630000      1.382000  
1 1 1 4  7  31  o 5.3890  1.1470 0.6335000      2.295000  
1 1 1 4  7  32  o 16.730  0.5663 0.8796000      1.133000  
1 1 1 4  7  33  o 52.700  1.0610 -0.2926000E-01 2.121000  
1 1 1 4  7  34  o 15.110  0.6045 0.7914000      1.209000  
1 1 1 4  7  35  o 27.910  0.6414 -0.2742000     1.283000  
1 1 1 4  7  36  f 33.990  0.9104 -0.6220000E-01 1.821000  
1 1 1 4  7  37  o 35.870  0.7671 0.2238000      1.534000  
1 1 1 4  7  38  o 9.8500  0.9813 2.118000       1.963000  
1 1 1 4  7  39  o 18.670  0.6446 0.2464000      1.289000  
1 1 1 4  7  40  f 37.030  0.8018 0.6444000      1.604000  
1 1 1 4  7  41  o 25.370  0.6745 0.4643000      1.349000  
1 1 1 4  7  42  o 17.670  0.7066 -0.1950000     1.413000  
1 1 1 4  7  43  o 12.120  0.9097 0.3793000      1.819000  
1 1 1 4  7  44  o 21.680  0.6880 -2.832000      1.376000  
1 1 1 4  7  45  o 16.910  0.8999 -0.8779000     1.800000  
1 1 1 4  7  46  o 56.850  1.4190 -0.3854000     2.839000  
1 1 1 4  7  47  o 11.520  1.3130 2.954000       2.625000  
1 1 1 4  7  48  o 20.060  0.9251 -0.4679000E-01 1.850000  
1 1 1 4  7  49  o 20.410  0.9322 -0.7291000     1.864000  
1 1 1 4  7  50  o 17.150  1.0260 1.584000       2.052000  
1 1 1 4  7  51  o 30.260  0.9300 -0.4625000     1.860000  
1 1 1 4  7  52  o 22.460  0.9729 -0.2817000     1.946000  
1 1 1 4  7  53  o 31.750  0.9981 1.846000       1.996000  
1 1 1 4  7  54  o 49.220  1.2840 1.085000       2.568000  
1 1 1 4  7  55  o 19.410  1.0840 0.3304000      2.169000  
1 1 1 4  7  56  f 18.450  1.1520 0.7470000      2.303000  
1 1 1 4  7  57  o 26.880  1.0120 0.1812000E-02  2.023000  
1 1 1 4  7  58  o 32.600  1.0660 -0.5687000     2.131000  
1 1 1 4  7  59  o 14.370  1.4210 1.316000       2.842000  
1 1 1 4  7  60  o 32.700  1.0790 -1.054000      2.159000  
1 1 1 4  7  61  o 14.060  1.9090 0.3726000      3.819000  
1 1 1 4  7  62  o 9.4340  2.2150 2.967000       4.429000  
1 1 1 4  7  63  o 17.360  1.5990 -1.352000      3.198000  
1 1 1 4  7  64  o 19.720  1.6410 -0.4084000     3.283000  
1 1 1 4  7  65  o 16.150  2.0290 0.9902000      4.059000  
1 1 1 4  7  66  o 15.660  2.1350 1.796000       4.270000  
1 1 1 4  7  67  o 16.730  1.9610 0.4677000      3.921000  
1 1 1 4  7  68  o 8.2300  2.3430 -1.025000      4.686000  
1 1 1 4  7  69  o 30.870  1.4500 0.6982000      2.900000  
1 1 1 4  7  70  o 9.1430  2.4290 2.771000       4.857000  
1 1 1 4  7  71  o 8.3700  2.4240 -2.123000      4.849000  
1 1 1 4  7  72  o 8.4150  2.4830 1.213000       4.966000  
1 1 1 4  7  73  o 8.9650  2.5440 -0.5409000     5.087000  
1 1 1 4  7  74  o 9.1160  2.5480 1.974000       5.096000  
1 1 1 4  7  75  o 8.6950  2.4940 2.445000       4.989000  
1 1 1 4  7  76  o 7.3750  2.3280 1.813000       4.656000  
1 1 1 4  7  77  o 10.200  2.6820 -1.234000      5.365000  
1 1 1 4  7  78  o 6.7800  2.2180 1.539000       4.436000  
1 1 1 4  7  79  o 6.2320  2.1210 0.1620000      4.241000  
1 1 1 4  7  80  o 8.7990  2.6590 1.480000       5.319000  
1 1 1 4  7  81  o 7.1220  2.3540 1.274000       4.709000  
1 1 1 4  7  82  o 8.6340  2.6490 -0.4666000     5.298000  
1 1 1 4  7  83  o 7.5880  2.4770 -2.078000      4.954000  
1 1 1 4  7  84  o 7.2040  2.3920 -0.6861000     4.785000  
1 1 1 4  7  85  o 8.0970  2.5890 0.4148000E-01  5.179000  
1 1 1 4  7  86  o 7.4350  2.4710 -0.3969000     4.941000  
1 1 1 4  7  87  o 7.0050  2.3740 -1.497000      4.748000  
1 1 1 4  7  88  o 7.3330  2.4260 -0.9198000     4.851000  
1 1 1 4  7  89  o 5.3680  1.8860 0.4162000      3.773000  
1 1 1 4  7  90  o 5.6350  1.9590 -0.2876000     3.919000  
1 1 1 4  7  91  o 5.6260  1.9570 -0.8632000     3.914000  
1 1 1 4  7  92  o 6.3270  2.1650 -0.4868000     4.329000  
1 1 1 4  7  93  o 5.9740  2.0860 0.7125000      4.171000  
1 1 1 4  7  94  o 4.6570  1.6800 0.4925000      3.360000  
1 1 1 4  7  95  o 5.4560  1.9080 -1.150000      3.815000  
1 1 1 4  7  96  o 3.8590  1.4000 -0.1782000E-01 2.799000  
1 1 1 4  7  97  o 4.1320  1.4820 -0.2054000     2.963000  
1 1 1 4  7  98  o 4.8330  1.6180 -1.460000      3.236000  
1 1 1 4  7  99  o 4.0170  1.9870 ?              ?         
1 1 1 4  8  0   o 37.700  0.7424 -0.000000      0.000000  
1 1 1 4  8  1   o 40.350  0.5601 0.4215000      1.120000  
1 1 1 4  8  2   o 74.750  1.0270 0.6600000      2.054000  
1 1 1 4  8  3   o 63.800  0.8775 -0.3208000     1.755000  
1 1 1 4  8  4   o 20.590  0.3362 0.5638000      0.6723000 
1 1 1 4  8  5   o 31.490  0.4443 -0.4607000     0.8887000 
1 1 1 4  8  6   o 43.850  0.6076 -0.1221000     1.215000  
1 1 1 4  8  7   o 22.820  0.3648 -0.9819000     0.7297000 
1 1 1 4  8  8   o 35.660  0.4997 0.1370000      0.9994000 
1 1 1 4  8  9   o 65.620  0.9045 0.3259000      1.809000  
1 1 1 4  8  10  o 37.230  0.5239 -0.1735000     1.048000  
1 1 1 4  8  11  o 54.270  0.7504 0.7842000      1.501000  
1 1 1 4  8  12  o 23.540  0.3819 -0.2998000     0.7637000 
1 1 1 4  8  13  o 59.740  0.8258 0.2112000      1.652000  
1 1 1 4  8  14  o 14.440  0.2961 -0.5848000     0.5921000 
1 1 1 4  8  15  o 9.0690  0.3240 -0.1896000     0.6479000 
1 1 1 4  8  16  o 43.910  0.6636 -0.8370000     1.327000  
1 1 1 4  8  17  o 12.870  0.3070 0.7456000      0.6139000 
1 1 1 4  8  18  o 50.240  0.8093 -0.4968000     1.619000  
1 1 1 4  8  19  o 57.640  0.9246 0.8860000      1.849000  
1 1 1 4  8  20  o 19.290  0.4279 -0.5054000     0.8558000 
1 1 1 4  8  21  o 27.950  0.5416 0.6926000      1.083000  
1 1 1 4  8  22  o 29.240  0.5615 0.2433000      1.123000  
1 1 1 4  8  23  o 27.090  0.5330 1.281000       1.066000  
1 1 1 4  8  24  o 46.610  0.8459 -1.410000      1.692000  
1 1 1 4  8  25  o 37.510  0.7668 0.6473000      1.534000  
1 1 1 4  8  26  o 21.930  0.5365 1.349000       1.073000  
1 1 1 4  8  27  o 21.760  0.5431 0.2820000      1.086000  
1 1 1 4  8  28  o 27.150  0.7563 0.3041000      1.513000  
1 1 1 4  8  29  o 27.930  0.6302 -1.042000      1.260000  
1 1 1 4  8  30  o 17.350  0.5457 -0.5112000E-01 1.091000  
1 1 1 4  8  31  o 11.300  0.6874 0.3885000E-01  1.375000  
1 1 1 4  8  32  o 37.690  0.7865 -0.5815000     1.573000  
1 1 1 4  8  33  o 28.700  0.6471 -0.4412000     1.294000  
1 1 1 4  8  34  f 19.910  0.5846 -0.4126000     1.169000  
1 1 1 4  8  35  f 22.260  0.5983 -1.425000      1.197000  
1 1 1 4  8  36  o 16.450  0.6403 0.1687000      1.281000  
1 1 1 4  8  37  o 12.080  0.7729 0.7171000      1.546000  
1 1 1 4  8  38  o 11.450  0.8771 -0.4818000     1.754000  
1 1 1 4  8  39  o 36.430  0.7895 -0.1881000     1.579000  
1 1 1 4  8  40  o 45.530  0.9386 0.2559000      1.877000  
1 1 1 4  8  41  o 9.3830  1.4390 1.985000       2.877000  
1 1 1 4  8  42  o 8.0280  1.3120 1.702000       2.625000  
1 1 1 4  8  43  o 33.450  0.7704 -0.8008000     1.541000  
1 1 1 4  8  44  o 32.820  0.7655 0.4294000      1.531000  
1 1 1 4  8  45  o 4.8980  1.4240 0.6644000      2.849000  
1 1 1 4  8  46  o 49.460  1.0280 -0.4546000     2.056000  
1 1 1 4  8  47  o 41.820  0.9065 0.2901000      1.813000  
1 1 1 4  8  48  o 14.700  0.9672 1.278000       1.934000  
1 1 1 4  8  49  o 38.030  0.8598 -0.9921000     1.720000  
1 1 1 4  8  50  o 37.420  0.8627 -0.8165000     1.725000  
1 1 1 4  8  51  o 20.780  0.9710 0.2428000      1.942000  
1 1 1 4  8  52  o 19.040  1.0320 -1.623000      2.064000  
1 1 1 4  8  53  o 41.480  1.1260 -0.9070000     2.251000  
1 1 1 4  8  54  o 18.200  1.0980 1.248000       2.196000  
1 1 1 4  8  55  o 10.480  1.7890 0.7204000      3.579000  
1 1 1 4  8  56  o 16.650  1.2670 -2.464000      2.533000  
1 1 1 4  8  57  o 7.7050  1.9560 -0.9986000     3.913000  
1 1 1 4  8  58  f 18.220  1.2170 1.299000       2.433000  
1 1 1 4  8  59  o 10.750  1.8250 -0.5185000     3.651000  
1 1 1 4  8  60  o 17.000  1.4010 -0.5760000     2.802000  
1 1 1 4  8  61  o 18.090  1.2950 1.460000       2.589000  
1 1 1 4  8  62  o 19.140  1.3590 0.1649000      2.718000  
1 1 1 4  8  63  o 9.3040  2.0600 -1.765000      4.119000  
1 1 1 4  8  64  o 15.510  1.7220 2.752000       3.444000  
1 1 1 4  8  65  o 14.890  1.7260 -1.789000      3.451000  
1 1 1 4  8  66  o 11.280  2.4610 1.271000       4.922000  
1 1 1 4  8  67  o 19.300  1.7360 -3.188000      3.472000  
1 1 1 4  8  68  o 12.330  2.5240 0.3985000      5.048000  
1 1 1 4  8  69  o 10.860  2.5750 1.229000       5.151000  
1 1 1 4  8  70  o 19.830  1.8450 -2.401000      3.690000  
1 1 1 4  8  71  o 8.3730  2.4150 -3.307000      4.831000  
1 1 1 4  8  72  o 8.3960  2.3360 2.936000       4.672000  
1 1 1 4  8  73  o 11.520  2.5080 -7.631000      5.015000  
1 1 1 4  8  74  o 10.960  2.6060 4.214000       5.212000  
1 1 1 4  8  75  o 10.380  2.6230 -4.762000      5.245000  
1 1 1 4  8  76  o 9.6280  2.6490 -0.5663000     5.299000  
1 1 1 4  8  77  o 9.5160  2.6400 -2.941000      5.280000  
1 1 1 4  8  78  f 9.2190  2.6250 -2.946000      5.250000  
1 1 1 4  8  79  o 8.5330  2.4740 3.439000       4.949000  
1 1 1 4  8  80  o 10.510  2.5680 6.134000       5.135000  
1 1 1 4  8  81  o 8.5720  2.6430 0.2495000      5.286000  
1 1 1 4  8  82  o 6.9560  2.2950 1.211000       4.591000  
1 1 1 4  8  83  o 6.9880  2.3220 -2.306000      4.645000  
1 1 1 4  8  84  o 7.1790  2.3780 -0.9798000     4.757000  
1 1 1 4  8  85  o 8.0210  2.5730 -2.736000      5.146000  
1 1 1 4  8  86  o 6.3580  2.1950 -1.133000      4.390000  
1 1 1 4  8  87  o 5.9640  2.0730 0.2986000      4.145000  
1 1 1 4  8  88  o 6.4930  2.1830 0.3751000      4.366000  
1 1 1 4  8  89  o 5.2880  1.8570 0.2451000      3.714000  
1 1 1 4  8  90  o 6.4020  2.1500 1.062000       4.299000  
1 1 1 4  8  91  o 6.0060  2.0720 0.6139000      4.145000  
1 1 1 4  8  92  o 5.2910  1.8800 0.2457000      3.759000  
1 1 1 4  8  93  o 5.9360  2.0600 -1.063000      4.119000  
1 1 1 4  8  94  o 5.9430  2.0260 0.5586000      4.052000  
1 1 1 4  8  95  f 4.4280  1.5780 -0.1046000     3.156000  
1 1 1 4  8  96  o 4.7010  1.6550 0.1517000      3.310000  
1 1 1 4  8  97  o 4.2630  1.4890 -0.1567000     2.978000  
1 1 1 4  8  98  f 4.9380  1.6450 2.559000       3.290000  
1 1 1 4  9  0   o 63.750  1.2410 -0.000000      0.000000  
1 1 1 4  9  1   o 44.000  0.6111 0.6290000      1.222000  
1 1 1 4  9  2   o 84.530  1.1630 1.042000       2.326000  
1 1 1 4  9  3   o 16.230  0.3328 -0.3432000     0.6655000 
1 1 1 4  9  4   o 16.510  0.2764 -0.5594000     0.5529000 
1 1 1 4  9  5   o 64.930  0.8953 0.7025000      1.791000  
1 1 1 4  9  6   f 45.060  0.6255 1.217000       1.251000  
1 1 1 4  9  7   o 26.150  0.4106 0.5761000      0.8213000 
1 1 1 4  9  8   o 49.950  0.6920 -0.2985000E-01 1.384000  
1 1 1 4  9  9   o 47.900  0.6647 0.1727000E-01  1.329000  
1 1 1 4  9  10  o 22.010  0.3911 0.6527000      0.7822000 
1 1 1 4  9  11  o 35.720  0.5037 0.5015000      1.007000  
1 1 1 4  9  12  o 37.270  0.5242 -0.7829000E-01 1.048000  
1 1 1 4  9  13  o 39.560  0.5557 1.126000       1.111000  
1 1 1 4  9  14  o 39.320  0.5539 0.4890000      1.108000  
1 1 1 4  9  15  o 25.470  0.3806 0.2457000      0.7612000 
1 1 1 4  9  16  o 58.370  0.8124 -1.393000      1.625000  
1 1 1 4  9  17  o 13.230  0.4312 -5.878000      0.8624000 
1 1 1 4  9  18  o 27.890  0.4455 1.285000       0.8910000 
1 1 1 4  9  19  o 30.270  0.4778 0.5413000      0.9555000 
1 1 1 4  9  20  o 47.360  0.7673 -0.4871000     1.535000  
1 1 1 4  9  21  o 38.920  0.6391 -0.3859000     1.278000  
1 1 1 4  9  22  o 41.610  0.6808 0.1742000      1.362000  
1 1 1 4  9  23  f 24.460  0.4489 -0.8127000E-01 0.8978000 
1 1 1 4  9  24  o 18.030  0.4442 -0.3871000     0.8883000 
1 1 1 4  9  25  o 17.050  0.4525 0.1874000      0.9051000 
1 1 1 4  9  26  o 24.890  0.5187 -0.3206000     1.037000  
1 1 1 4  9  27  o 12.380  0.5066 -0.8560000     1.013000  
1 1 1 4  9  28  o 37.750  0.9528 0.7748000E-01  1.906000  
1 1 1 4  9  29  o 39.440  0.8123 0.1806000      1.625000  
1 1 1 4  9  30  f 30.580  0.6679 0.3589000      1.336000  
1 1 1 4  9  31  o 9.1330  0.8254 0.3446000E-01  1.651000  
1 1 1 4  9  32  o 31.620  0.6904 -0.1696000     1.381000  
1 1 1 4  9  33  o 20.010  0.6026 -0.4372000     1.205000  
1 1 1 4  9  34  o 30.780  0.6913 -0.6074000     1.383000  
1 1 1 4  9  35  o 11.890  0.7609 0.5785000E-01  1.522000  
1 1 1 4  9  36  o 34.440  0.7558 -0.1165000     1.512000  
1 1 1 4  9  37  o 20.000  0.6393 0.2534000      1.279000  
1 1 1 4  9  38  o 33.370  0.7453 0.6314000      1.491000  
1 1 1 4  9  39  o 7.1030  1.3270 0.2084000      2.654000  
1 1 1 4  9  40  o 22.000  0.6643 -1.160000      1.329000  
1 1 1 4  9  41  o 31.430  0.7371 -0.1243000     1.474000  
1 1 1 4  9  42  o 24.520  0.6859 0.4302000      1.372000  
1 1 1 4  9  43  o 27.470  0.7108 -0.1392000     1.422000  
1 1 1 4  9  44  o 46.640  0.9727 1.558000       1.945000  
1 1 1 4  9  45  o 11.090  1.1300 -1.106000      2.260000  
1 1 1 4  9  46  o 15.580  1.1430 -1.815000      2.285000  
1 1 1 4  9  47  o 12.990  0.9990 1.218000       1.998000  
1 1 1 4  9  48  o 26.180  0.7809 -0.6102000     1.562000  
1 1 1 4  9  49  o 17.350  0.9082 0.3198000      1.816000  
1 1 1 4  9  50  o 49.520  1.0450 -0.8712000     2.089000  
1 1 1 4  9  51  o 27.180  0.8156 0.2114000      1.631000  
1 1 1 4  9  52  o 14.060  1.1430 -1.556000      2.287000  
1 1 1 4  9  53  o 27.160  0.8330 1.257000       1.666000  
1 1 1 4  9  54  o 32.290  0.8475 -0.4819000     1.695000  
1 1 1 4  9  55  o 19.020  0.9732 0.5875000      1.946000  
1 1 1 4  9  56  o 18.230  1.0430 0.9736000E-01  2.087000  
1 1 1 4  9  57  o 43.250  1.1880 -2.458000      2.376000  
1 1 1 4  9  58  o 33.210  1.0810 -1.510000      2.163000  
1 1 1 4  9  59  o 21.910  1.1600 -1.580000      2.320000  
1 1 1 4  9  60  o 7.9230  1.8000 6.986000       3.600000  
1 1 1 4  9  61  o 8.3900  2.0870 2.136000       4.175000  
1 1 1 4  9  62  o 11.280  1.9850 -3.016000      3.970000  
1 1 1 4  9  63  o 7.0160  2.0030 1.902000       4.006000  
1 1 1 4  9  64  f 11.660  2.0940 3.476000       4.189000  
1 1 1 4  9  65  o 6.1820  1.9150 -0.4137000     3.830000  
1 1 1 4  9  66  o 24.360  1.2980 0.8680000E-01  2.596000  
1 1 1 4  9  67  o 11.110  2.1860 4.514000       4.373000  
1 1 1 4  9  68  o 11.470  2.3370 1.783000       4.675000  
1 1 1 4  9  69  o 17.160  1.6960 -2.656000      3.392000  
1 1 1 4  9  70  o 7.2240  2.1840 0.6546000E-02  4.368000  
1 1 1 4  9  71  o 11.770  2.4720 -7.708000      4.944000  
1 1 1 4  9  72  o 8.3600  2.5240 -0.1374000     5.049000  
1 1 1 4  9  73  o 11.100  2.7410 -0.9628000     5.482000  
1 1 1 4  9  74  o 6.7640  2.2220 -2.497000      4.443000  
1 1 1 4  9  75  o 7.2660  2.3390 0.3452000      4.678000  
1 1 1 4  9  76  o 6.7230  2.2240 0.8284000      4.448000  
1 1 1 4  9  77  o 9.0800  2.6380 -0.2447000     5.275000  
1 1 1 4  9  78  o 8.2120  2.5380 1.130000       5.077000  
1 1 1 4  9  79  o 6.8530  2.3020 -0.7431000     4.604000  
1 1 1 4  9  80  o 6.6850  2.2150 0.4593000      4.431000  
1 1 1 4  9  81  o 6.6570  2.2360 -2.233000      4.472000  
1 1 1 4  9  82  o 8.9320  2.6640 1.075000       5.328000  
1 1 1 4  9  83  o 6.4250  2.1660 -0.4476000     4.332000  
1 1 1 4  9  84  o 6.8890  2.3080 0.4746000      4.616000  
1 1 1 4  9  85  o 5.9290  2.0860 -1.541000      4.171000  
1 1 1 4  9  86  f 6.8880  2.3080 2.245000       4.617000  
1 1 1 4  9  87  o 7.2190  2.3890 -0.1168000     4.778000  
1 1 1 4  9  88  o 6.7010  2.2360 -0.2137000     4.471000  
1 1 1 4  9  89  o 5.6880  1.9670 0.3667000      3.934000  
1 1 1 4  9  90  o 6.4820  2.1880 1.096000       4.377000  
1 1 1 4  9  91  o 5.2450  1.8660 0.4869000      3.732000  
1 1 1 4  9  92  o 5.0100  1.7950 -0.3046000     3.591000  
1 1 1 4  9  93  o 5.6940  1.9810 -1.915000      3.962000  
1 1 1 4  9  94  o 5.8540  2.0000 -1.339000      4.000000  
1 1 1 4  9  95  f 4.7940  1.6920 0.5288000      3.384000  
1 1 1 4  9  96  o 3.9320  1.4110 0.7663000      2.822000  
1 1 1 4  9  97  o 4.6280  1.6020 0.2034000      3.203000  
1 1 1 4  10 0   o 57.000  1.1130 0.000000       0.000000  
1 1 1 4  10 1   o 41.470  0.5779 -0.3523000E-01 1.156000  
1 1 1 4  10 2   o 22.770  0.3934 0.4110000      0.7868000 
1 1 1 4  10 3   f 35.790  0.5028 0.3167000      1.006000  
1 1 1 4  10 4   o 38.050  0.5329 0.6736000      1.066000  
1 1 1 4  10 5   o 52.470  0.7266 0.3540000      1.453000  
1 1 1 4  10 6   o 56.710  0.7843 0.8975000      1.569000  
1 1 1 4  10 7   o 30.240  0.5003 -0.2710000     1.001000  
1 1 1 4  10 8   o 56.710  0.7841 0.6177000      1.568000  
1 1 1 4  10 9   f 47.000  0.6540 0.6594000      1.308000  
1 1 1 4  10 10  o 52.070  0.7229 0.1725000E-01  1.446000  
1 1 1 4  10 11  o 14.760  0.3297 -0.3374000E-01 0.6595000 
1 1 1 4  10 12  o 49.090  0.6832 0.3037000      1.366000  
1 1 1 4  10 13  o 22.970  0.3812 -1.737000      0.7625000 
1 1 1 4  10 14  o 32.520  0.4659 0.1491000      0.9319000 
1 1 1 4  10 15  o 22.850  0.3559 0.6326000      0.7118000 
1 1 1 4  10 16  o 16.870  0.3032 -0.3763000     0.6064000 
1 1 1 4  10 17  o 4.3730  0.6338 -0.3898000     1.268000  
1 1 1 4  10 18  f 25.830  0.4218 -0.8443000     0.8435000 
1 1 1 4  10 19  o 34.440  0.5346 -0.6372000     1.069000  
1 1 1 4  10 20  o 27.370  0.4432 0.2532000E-01  0.8865000 
1 1 1 4  10 21  o 27.110  0.4412 -0.3338000     0.8823000 
1 1 1 4  10 22  o 18.270  0.3951 0.4574000      0.7902000 
1 1 1 4  10 23  o 53.110  0.8591 -0.3120000     1.718000  
1 1 1 4  10 24  o 19.780  0.4137 0.6997000      0.8273000 
1 1 1 4  10 25  o 10.140  0.4524 1.071000       0.9048000 
1 1 1 4  10 26  o 24.070  0.4521 0.3888000      0.9041000 
1 1 1 4  10 27  o 32.380  0.6249 0.4225000      1.250000  
1 1 1 4  10 28  o 17.810  0.4909 -0.3504000     0.9818000 
1 1 1 4  10 29  o 14.570  0.5111 -2.462000      1.022000  
1 1 1 4  10 30  o 24.150  0.5313 -0.6266000     1.063000  
1 1 1 4  10 31  o 28.690  0.5860 -0.4398000     1.172000  
1 1 1 4  10 32  o 42.420  0.8731 0.6699000E-01  1.746000  
1 1 1 4  10 33  o 33.490  0.8951 0.3085000      1.790000  
1 1 1 4  10 34  o 27.060  0.6606 0.8333000      1.321000  
1 1 1 4  10 35  o 13.260  0.7692 -0.3226000     1.538000  
1 1 1 4  10 36  o 23.580  0.6532 -0.3492000     1.306000  
1 1 1 4  10 37  o 41.410  0.8670 0.7842000      1.734000  
1 1 1 4  10 38  f 48.330  0.9904 -0.6221000     1.981000  
1 1 1 4  10 39  o 32.550  0.7520 -0.3121000     1.504000  
1 1 1 4  10 40  o 32.430  0.7530 0.1621000      1.506000  
1 1 1 4  10 41  o 30.730  0.7388 -0.1130000     1.478000  
1 1 1 4  10 42  o 6.4130  1.4150 -3.023000      2.831000  
1 1 1 4  10 43  o 48.920  1.0160 -0.7687000     2.031000  
1 1 1 4  10 44  o 29.640  0.7498 0.6799000      1.500000  
1 1 1 4  10 45  o 10.230  1.2930 -0.2247000     2.585000  
1 1 1 4  10 46  o 39.050  0.8683 0.3556000      1.737000  
1 1 1 4  10 47  o 37.600  0.8552 0.4197000      1.710000  
1 1 1 4  10 48  o 18.980  0.8423 0.8785000      1.685000  
1 1 1 4  10 49  o 45.210  0.9756 -0.5153000     1.951000  
1 1 1 4  10 50  o 6.3550  1.6400 -2.968000      3.279000  
1 1 1 4  10 51  o 9.5010  1.5440 0.4655000      3.088000  
1 1 1 4  10 52  o 44.830  0.9913 0.8626000      1.983000  
1 1 1 4  10 53  o 11.770  1.4470 1.146000       2.895000  
1 1 1 4  10 54  o 21.720  0.8959 -1.123000      1.792000  
1 1 1 4  10 55  o 10.830  1.6030 -3.898000      3.205000  
1 1 1 4  10 56  o 5.1130  1.5920 1.511000       3.184000  
1 1 1 4  10 57  o 13.160  1.3980 -0.3293000     2.795000  
1 1 1 4  10 58  o 8.7490  1.6500 -5.991000      3.300000  
1 1 1 4  10 59  o 6.4010  1.7400 -3.832000      3.479000  
1 1 1 4  10 60  o 6.9000  1.8610 1.577000       3.722000  
1 1 1 4  10 61  o 7.1140  1.9340 -0.4578000     3.869000  
1 1 1 4  10 62  o 17.420  1.5400 -1.388000      3.080000  
1 1 1 4  10 63  o 25.090  1.2150 0.2538000      2.431000  
1 1 1 4  10 64  o 7.6110  2.1440 1.203000       4.288000  
1 1 1 4  10 65  o 17.420  1.6450 -0.3214000     3.291000  
1 1 1 4  10 66  o 10.300  2.3150 -0.8910000     4.630000  
1 1 1 4  10 67  o 33.550  1.2400 -1.303000      2.479000  
1 1 1 4  10 68  o 8.5060  2.2070 -2.168000      4.413000  
1 1 1 4  10 69  o 14.210  2.1320 3.606000       4.263000  
1 1 1 4  10 70  o 11.710  2.3380 -1.536000      4.675000  
1 1 1 4  10 71  o 12.860  2.3080 -3.554000      4.616000  
1 1 1 4  10 72  o 8.8960  2.3610 0.9405000      4.721000  
1 1 1 4  10 73  o 10.340  2.4500 2.796000       4.901000  
1 1 1 4  10 74  o 8.1720  2.2780 -0.2935000     4.556000  
1 1 1 4  10 75  o 8.6310  2.3650 -0.7509000     4.731000  
1 1 1 4  10 76  o 11.230  2.8310 -2.946000      5.662000  
1 1 1 4  10 77  o 6.7510  2.2570 -0.9455000     4.514000  
1 1 1 4  10 78  o 8.5420  2.6430 -0.5791000     5.287000  
1 1 1 4  10 79  o 7.3470  2.3740 -3.274000      4.747000  
1 1 1 4  10 80  o 9.7070  2.6950 -0.6546000     5.391000  
1 1 1 4  10 81  o 8.7990  2.6130 -2.309000      5.225000  
1 1 1 4  10 82  o 5.8820  2.0350 1.357000       4.070000  
1 1 1 4  10 83  o 7.2220  2.3310 2.707000       4.662000  
1 1 1 4  10 84  o 7.6610  2.5030 -1.414000      5.005000  
1 1 1 4  10 85  o 9.0060  2.7540 -1.186000      5.507000  
1 1 1 4  10 86  o 6.4850  2.2080 -0.5081000     4.417000  
1 1 1 4  10 87  o 5.0170  1.7740 0.3166000      3.548000  
1 1 1 4  10 88  o 6.9660  2.2930 -0.2231000     4.586000  
1 1 1 4  10 89  o 7.2860  2.3990 -2.493000      4.797000  
1 1 1 4  10 90  o 5.9990  2.0980 -0.1513000     4.197000  
1 1 1 4  10 91  o 5.8900  2.0540 -0.6896000     4.108000  
1 1 1 4  10 92  o 5.6950  1.9610 0.7868000      3.923000  
1 1 1 4  10 93  o 4.9730  1.7480 0.5588000      3.497000  
1 1 1 4  10 94  o 4.7060  1.6720 -0.3087000     3.345000  
1 1 1 4  10 95  o 4.6980  1.6420 -0.3912000     3.283000  
1 1 1 4  10 96  o 4.5170  1.5840 0.8827000      3.167000  
1 1 1 4  11 0   o 28.940  0.5924 0.000000       0.000000  
1 1 1 4  11 1   o 50.630  0.7022 0.9208000E-01  1.404000  
1 1 1 4  11 2   o 66.560  0.9201 -0.4794000     1.840000  
1 1 1 4  11 3   o 26.920  0.4533 0.3006000      0.9066000 
1 1 1 4  11 4   o 19.740  0.3622 -0.3871000     0.7243000 
1 1 1 4  11 5   o 45.950  0.6392 0.9951000      1.278000  
1 1 1 4  11 6   f 29.720  0.4295 0.7996000E-01  0.8590000 
1 1 1 4  11 7   o 8.8010  0.3784 -0.3277000     0.7568000 
1 1 1 4  11 8   o 24.460  0.3663 0.9156000      0.7326000 
1 1 1 4  11 9   o 52.730  0.7329 0.7906000      1.466000  
1 1 1 4  11 10  o 17.670  0.3507 -1.426000      0.7014000 
1 1 1 4  11 11  o 36.970  0.5228 -0.9211000E-01 1.046000  
1 1 1 4  11 12  o 5.0650  0.6583 -1.580000      1.317000  
1 1 1 4  11 13  o 29.690  0.4332 -0.3503000     0.8663000 
1 1 1 4  11 14  o 33.220  0.4766 -0.5775000E-01 0.9532000 
1 1 1 4  11 15  o 27.890  0.4136 -0.2019000     0.8272000 
1 1 1 4  11 16  o 25.970  0.3919 0.6560000      0.7838000 
1 1 1 4  11 17  o 24.100  0.3735 0.2859000      0.7470000 
1 1 1 4  11 18  o 21.480  0.3508 0.5097000E-01  0.7017000 
1 1 1 4  11 19  o 35.830  0.5138 0.4136000      1.028000  
1 1 1 4  11 20  o 35.930  0.5573 -0.4794000E-01 1.115000  
1 1 1 4  11 21  o 58.760  0.8898 -1.094000      1.780000  
1 1 1 4  11 22  o 24.260  0.4176 1.459000       0.8351000 
1 1 1 4  11 23  o 15.110  0.5486 ?              ?         
1 1 1 4  11 24  o 49.320  0.8019 -0.4125000     1.604000  
1 1 1 4  11 25  o 50.610  0.8250 0.5014000      1.650000  
1 1 1 4  11 26  o 36.000  0.6082 0.4908000      1.216000  
1 1 1 4  11 27  o 33.990  0.5814 -0.4664000     1.163000  
1 1 1 4  11 28  o 32.010  0.5538 -0.3632000E-02 1.108000  
1 1 1 4  11 29  o 15.570  0.5566 1.971000       1.113000  
1 1 1 4  11 30  o 21.970  0.4536 0.8030000E-01  0.9072000 
1 1 1 4  11 31  o 38.760  0.7334 -1.586000      1.467000  
1 1 1 4  11 32  o 22.350  0.5367 1.535000       1.073000  
1 1 1 4  11 33  o 38.510  0.7357 0.5092000      1.471000  
1 1 1 4  11 34  o 30.290  0.6268 0.8890000      1.254000  
1 1 1 4  11 35  o 20.740  0.6283 -0.9882000     1.257000  
1 1 1 4  11 36  o 25.970  0.6679 -0.9430000     1.336000  
1 1 1 4  11 37  o 15.530  0.7189 -0.8313000     1.438000  
1 1 1 4  11 38  o 31.080  0.8940 -0.9441000     1.788000  
1 1 1 4  11 39  o 4.7050  1.3470 -1.952000      2.694000  
1 1 1 4  11 40  o 23.500  0.6945 1.503000       1.389000  
1 1 1 4  11 41  o 48.070  0.9951 -0.8917000     1.990000  
1 1 1 4  11 42  o 26.580  0.7133 -1.042000      1.427000  
1 1 1 4  11 43  o 23.720  0.7246 -1.756000      1.449000  
1 1 1 4  11 44  o 20.830  0.7635 1.194000       1.527000  
1 1 1 4  11 45  o 34.670  0.8089 -0.3057000     1.618000  
1 1 1 4  11 46  o 42.760  0.9297 -0.5017000     1.859000  
1 1 1 4  11 47  o 12.480  1.1670 3.171000       2.334000  
1 1 1 4  11 48  o 12.310  1.2080 0.3099000      2.417000  
1 1 1 4  11 49  o 31.190  0.8050 1.582000       1.610000  
1 1 1 4  11 50  o 20.740  0.8268 0.7404000      1.654000  
1 1 1 4  11 51  o 10.0000 1.5690 -1.407000      3.137000  
1 1 1 4  11 52  o 39.120  0.9085 -2.218000      1.817000  
1 1 1 4  11 53  o 34.710  0.8638 0.9949000      1.728000  
1 1 1 4  11 54  o 16.140  1.1180 -1.380000      2.235000  
1 1 1 4  11 55  o 18.510  1.0440 -1.282000      2.088000  
1 1 1 4  11 56  o 19.440  0.9792 -0.8165000E-01 1.958000  
1 1 1 4  11 57  o 23.110  0.9332 0.5544000      1.866000  
1 1 1 4  11 58  o 20.790  1.0110 -0.1944000     2.023000  
1 1 1 4  11 59  o 28.130  0.9373 -1.748000      1.875000  
1 1 1 4  11 60  o 9.8760  1.8970 -3.642000      3.793000  
1 1 1 4  11 61  o 15.810  1.4290 0.2601000      2.858000  
1 1 1 4  11 62  o 16.320  1.4250 -3.988000      2.850000  
1 1 1 4  11 63  o 26.410  1.0620 -2.730000      2.123000  
1 1 1 4  11 64  o 7.9140  2.0800 0.8492000      4.160000  
1 1 1 4  11 65  o 12.330  1.9260 -2.582000      3.853000  
1 1 1 4  11 66  o 12.370  1.9830 -3.224000      3.965000  
1 1 1 4  11 67  o 6.7560  2.0880 0.2352000      4.176000  
1 1 1 4  11 68  o 20.370  1.6390 -2.745000      3.277000  
1 1 1 4  11 69  o 12.520  2.1800 -5.482000      4.360000  
1 1 1 4  11 70  o 12.300  2.3470 3.224000       4.693000  
1 1 1 4  11 71  o 6.8330  2.1490 -0.1193000     4.299000  
1 1 1 4  11 72  o 8.8260  2.3790 2.853000       4.759000  
1 1 1 4  11 73  o 7.5670  2.2600 -0.6233000     4.521000  
1 1 1 4  11 74  o 6.7300  2.1520 1.511000       4.304000  
1 1 1 4  11 75  o 6.0970  2.0040 -0.4655000     4.007000  
1 1 1 4  11 76  o 8.5080  2.3510 -2.643000      4.703000  
1 1 1 4  11 77  f 7.3730  2.2940 0.1211000      4.588000  
1 1 1 4  11 78  o 5.9730  2.0200 1.828000       4.040000  
1 1 1 4  11 79  o 14.200  2.2460 -8.934000      4.493000  
1 1 1 4  11 80  o 6.4140  2.1480 -0.4035000     4.295000  
1 1 1 4  11 81  f 6.9710  2.2990 -0.6615000     4.598000  
1 1 1 4  11 82  o 6.8460  2.2940 0.6531000      4.588000  
1 1 1 4  11 83  o 6.0150  2.0740 0.5849000      4.149000  
1 1 1 4  11 84  o 6.1710  2.1280 -0.3414000     4.256000  
1 1 1 4  11 85  o 6.0470  2.0670 0.5835000      4.134000  
1 1 1 4  11 86  o 6.0020  2.0390 -0.3152000E-01 4.079000  
1 1 1 4  11 87  o 6.5930  2.1910 -0.6544000     4.382000  
1 1 1 4  11 88  o 6.7410  2.2700 -1.774000      4.540000  
1 1 1 4  11 89  o 6.3720  2.1870 -0.6247000     4.374000  
1 1 1 4  11 90  f 5.5650  1.9380 0.5987000      3.875000  
1 1 1 4  11 91  o 4.6410  1.6610 -0.4761000     3.321000  
1 1 1 4  11 92  o 5.4140  1.8820 0.5234000      3.763000  
1 1 1 4  11 93  o 5.0950  1.7920 -0.1166000     3.585000  
1 1 1 4  11 94  o 4.0690  1.4510 0.3901000E-01  2.902000  
1 1 1 4  11 95  o 3.9010  1.3910 0.3023000      2.783000  
1 1 1 4  12 0   o 34.410  0.6939 -0.000000      0.000000  
1 1 1 4  12 1   o 44.970  0.6273 0.4663000      1.255000  
1 1 1 4  12 2   o 19.790  0.3441 0.4879000      0.6882000 
1 1 1 4  12 3   f 57.780  0.8018 0.6600000      1.604000  
1 1 1 4  12 4   o 26.120  0.4169 1.145000       0.8338000 
1 1 1 4  12 5   o 12.240  0.3785 0.8327000      0.7570000 
1 1 1 4  12 6   o 32.520  0.4647 0.3171000      0.9295000 
1 1 1 4  12 7   o 29.500  0.4274 -0.2027000     0.8549000 
1 1 1 4  12 8   o 14.350  0.3396 -0.1807000E-01 0.6793000 
1 1 1 4  12 9   o 37.400  0.5289 0.4769000      1.058000  
1 1 1 4  12 10  f 18.180  0.3671 1.223000       0.7342000 
1 1 1 4  12 11  o 50.840  0.7100 0.5942000      1.420000  
1 1 1 4  12 12  o 11.340  0.4037 0.6447000      0.8074000 
1 1 1 4  12 13  o 41.250  0.5815 0.3765000      1.163000  
1 1 1 4  12 14  f 29.110  0.4317 -0.1637000     0.8635000 
1 1 1 4  12 15  f 24.480  0.3773 0.5033000      0.7546000 
1 1 1 4  12 16  o 15.050  0.3444 -0.6692000     0.6888000 
1 1 1 4  12 17  o 35.080  0.5051 -0.3151000     1.010000  
1 1 1 4  12 18  o 33.270  0.4836 -0.1686000     0.9672000 
1 1 1 4  12 19  o 44.520  0.6278 1.021000       1.256000  
1 1 1 4  12 20  o 15.990  0.3654 0.6161000E-01  0.7307000 
1 1 1 4  12 21  o 37.510  0.5390 -0.7828000     1.078000  
1 1 1 4  12 22  o 18.210  0.4036 -0.9857000     0.8071000 
1 1 1 4  12 23  o 4.5020  0.8772 0.3708000      1.754000  
1 1 1 4  12 24  f 17.680  0.3862 0.3351000      0.7724000 
1 1 1 4  12 25  f 30.820  0.5963 -0.7834000     1.193000  
1 1 1 4  12 26  o 19.140  0.4338 -1.276000      0.8677000 
1 1 1 4  12 27  o 23.160  0.4563 -0.5952000     0.9126000 
1 1 1 4  12 28  o 19.800  0.4463 0.1242000      0.8925000 
1 1 1 4  12 29  o 35.730  0.6107 -0.5409000     1.221000  
1 1 1 4  12 30  o 33.990  0.5912 0.4129000      1.182000  
1 1 1 4  12 31  o 9.7460  0.6006 1.025000       1.201000  
1 1 1 4  12 32  o 11.710  0.5483 -1.383000      1.097000  
1 1 1 4  12 33  o 7.5150  0.7904 0.5876000      1.581000  
1 1 1 4  12 34  o 26.110  0.5836 1.049000       1.167000  
1 1 1 4  12 35  o 15.170  0.6038 1.216000       1.208000  
1 1 1 4  12 36  o 15.150  0.7357 1.280000       1.471000  
1 1 1 4  12 37  o 41.430  0.7914 -0.4062000     1.583000  
1 1 1 4  12 38  o 17.930  0.5911 2.621000       1.182000  
1 1 1 4  12 39  o 15.800  0.7630 0.4460000      1.526000  
1 1 1 4  12 40  o 30.750  0.7409 0.7129000      1.482000  
1 1 1 4  12 41  o 5.9540  1.4440 2.040000       2.888000  
1 1 1 4  12 42  o 25.880  0.7170 -0.4540000     1.434000  
1 1 1 4  12 43  o 12.390  1.2630 -0.8309000E-01 2.527000  
1 1 1 4  12 44  o 19.020  0.7731 0.2530000      1.546000  
1 1 1 4  12 45  o 22.970  0.7477 -0.6083000     1.495000  
1 1 1 4  12 46  o 13.380  1.0710 0.3936000E-01  2.142000  
1 1 1 4  12 47  o 27.060  0.7774 0.6696000      1.555000  
1 1 1 4  12 48  o 7.1600  1.6810 0.5620000      3.362000  
1 1 1 4  12 49  o 50.330  1.0610 -0.2050000     2.121000  
1 1 1 4  12 50  o 14.320  1.1150 -1.113000      2.230000  
1 1 1 4  12 51  f 27.340  0.8222 -1.108000      1.644000  
1 1 1 4  12 52  o 25.030  0.8424 -1.110000      1.685000  
1 1 1 4  12 53  f 17.840  0.9848 1.697000       1.970000  
1 1 1 4  12 54  o 22.840  0.9125 -0.9197000     1.825000  
1 1 1 4  12 55  o 6.1560  1.7570 -1.438000      3.514000  
1 1 1 4  12 56  o 12.750  1.4300 -2.264000      2.860000  
1 1 1 4  12 57  o 18.590  1.0910 -0.8069000     2.182000  
1 1 1 4  12 58  o 11.950  1.6080 -1.297000      3.215000  
1 1 1 4  12 59  o 10.120  1.8970 2.041000       3.795000  
1 1 1 4  12 60  o 26.450  0.9822 0.6602000      1.964000  
1 1 1 4  12 61  o 10.220  1.9200 -3.564000      3.840000  
1 1 1 4  12 62  o 6.3080  1.9090 -1.031000      3.818000  
1 1 1 4  12 63  o 19.520  1.1740 -0.5341000     2.348000  
1 1 1 4  12 64  o 8.1150  2.3720 3.729000       4.744000  
1 1 1 4  12 65  o 17.980  1.3080 1.874000       2.615000  
1 1 1 4  12 66  o 13.410  1.8910 -2.439000      3.783000  
1 1 1 4  12 67  o 8.4940  2.1840 -1.598000      4.368000  
1 1 1 4  12 68  o 14.950  1.7590 -1.005000      3.517000  
1 1 1 4  12 69  o 10.590  2.1490 -2.489000      4.298000  
1 1 1 4  12 70  o 5.9220  1.8930 -0.8770000     3.786000  
1 1 1 4  12 71  o 7.9530  2.2670 1.818000       4.534000  
1 1 1 4  12 72  o 11.000  2.3970 0.7995000E-01  4.794000  
1 1 1 4  12 73  o 10.820  2.4140 -0.4916000     4.828000  
1 1 1 4  12 74  o 7.4270  2.2490 3.615000       4.497000  
1 1 1 4  12 75  o 13.150  2.4150 1.653000       4.831000  
1 1 1 4  12 76  o 7.7330  2.3420 0.1594000      4.684000  
1 1 1 4  12 77  o 5.6830  1.9300 0.4607000      3.861000  
1 1 1 4  12 78  o 8.2700  2.3710 -2.065000      4.743000  
1 1 1 4  12 79  o 9.1600  2.4130 -1.756000      4.826000  
1 1 1 4  12 80  o 7.0000  2.2420 2.063000       4.483000  
1 1 1 4  12 81  f 8.1010  2.4530 2.556000       4.905000  
1 1 1 4  12 82  o 7.1800  2.2810 -1.143000      4.561000  
1 1 1 4  12 83  o 7.1790  2.2530 -0.8436000     4.506000  
1 1 1 4  12 84  o 6.4770  2.1570 -0.1812000     4.315000  
1 1 1 4  12 85  o 6.4470  2.1640 -0.5263000     4.328000  
1 1 1 4  12 86  o 5.7060  1.9790 -0.7720000     3.958000  
1 1 1 4  12 87  o 5.5650  1.9530 -0.6722000     3.906000  
1 1 1 4  12 88  o 4.8890  1.7410 0.4792000      3.483000  
1 1 1 4  12 89  o 5.5300  1.9220 0.1750000      3.843000  
1 1 1 4  12 90  o 4.8860  1.7410 0.3763000      3.481000  
1 1 1 4  12 91  o 5.0460  1.7850 -0.2556000     3.570000  
1 1 1 4  12 92  o 4.9900  1.7670 0.1765000      3.534000  
1 1 1 4  12 93  o 4.0410  1.4470 0.1773000E-01  2.893000  
1 1 1 4  12 94  o 4.2420  1.5000 -0.3722000     3.000000  
1 1 1 4  13 0   o 27.760  0.5748 -0.000000      0.000000  
1 1 1 4  13 1   o 25.510  0.3824 0.2564000      0.7649000 
1 1 1 4  13 2   o 21.520  0.3399 -0.4744000E-01 0.6799000 
1 1 1 4  13 3   o 30.160  0.4372 -0.2809000     0.8744000 
1 1 1 4  13 4   o 34.230  0.4904 1.001000       0.9807000 
1 1 1 4  13 5   o 35.360  0.5029 0.3635000      1.006000  
1 1 1 4  13 6   o 17.880  0.4091 -0.5817000     0.8183000 
1 1 1 4  13 7   o 37.720  0.5341 -1.180000      1.068000  
1 1 1 4  13 8   o 45.090  0.6321 1.114000       1.264000  
1 1 1 4  13 9   o 25.440  0.4473 1.317000       0.8946000 
1 1 1 4  13 10  o 27.650  0.4104 0.4978000      0.8207000 
1 1 1 4  13 11  o 10.520  0.3661 0.2408000E-01  0.7323000 
1 1 1 4  13 12  o 19.000  0.3307 0.6769000      0.6613000 
1 1 1 4  13 13  o 36.410  0.5205 0.3817000      1.041000  
1 1 1 4  13 14  o 18.090  0.3857 0.7349000      0.7714000 
1 1 1 4  13 15  o 11.910  0.3400 -0.1259000     0.6799000 
1 1 1 4  13 16  o 20.510  0.3457 0.5074000      0.6914000 
1 1 1 4  13 17  o 30.090  0.4468 0.7889000      0.8936000 
1 1 1 4  13 18  o 32.250  0.4742 0.6079000E-01  0.9484000 
1 1 1 4  13 19  o 6.0510  0.7172 -1.196000      1.434000  
1 1 1 4  13 20  o 27.960  0.4272 0.2249000      0.8544000 
1 1 1 4  13 21  o 22.720  0.3798 0.1200000      0.7596000 
1 1 1 4  13 22  o 30.560  0.4608 0.7998000      0.9217000 
1 1 1 4  13 23  o 30.050  0.4931 -1.766000      0.9863000 
1 1 1 4  13 24  o 26.720  0.4566 1.176000       0.9131000 
1 1 1 4  13 25  o 29.050  0.4830 0.1512000      0.9660000 
1 1 1 4  13 26  o 27.700  0.5086 0.1538000      1.017000  
1 1 1 4  13 27  o 62.010  1.0030 -0.4316000     2.006000  
1 1 1 4  13 28  o 9.9180  0.7520 -0.1327000     1.504000  
1 1 1 4  13 29  o 19.860  0.4689 -0.5297000     0.9378000 
1 1 1 4  13 30  f 23.250  0.4746 -0.9263000     0.9492000 
1 1 1 4  13 31  f 44.630  0.7422 -0.2102000     1.484000  
1 1 1 4  13 32  o 30.400  0.5588 0.3244000      1.118000  
1 1 1 4  13 33  o 41.750  0.7061 -1.050000      1.412000  
1 1 1 4  13 34  o 39.370  0.6734 -0.9274000     1.347000  
1 1 1 4  13 35  o 17.620  0.5120 -0.5489000     1.024000  
1 1 1 4  13 36  f 31.690  0.5861 0.1286000E-01  1.172000  
1 1 1 4  13 37  o 39.260  0.6791 0.1669000E-01  1.358000  
1 1 1 4  13 38  o 42.730  0.8186 -0.2495000     1.637000  
1 1 1 4  13 39  o 31.670  0.6834 1.317000       1.367000  
1 1 1 4  13 40  o 27.320  0.6389 0.6495000      1.278000  
1 1 1 4  13 41  o 47.810  0.9057 0.4525000      1.811000  
1 1 1 4  13 42  o 30.020  0.6855 -0.7932000     1.371000  
1 1 1 4  13 43  o 15.690  0.8675 0.3217000E-02  1.735000  
1 1 1 4  13 44  o 13.420  1.0340 -0.5920000     2.067000  
1 1 1 4  13 45  o 29.080  0.7709 -0.6964000     1.542000  
1 1 1 4  13 46  f 38.490  0.8712 -0.1945000     1.742000  
1 1 1 4  13 47  o 11.260  1.3070 0.7691000      2.614000  
1 1 1 4  13 48  o 17.550  0.9087 -1.723000      1.817000  
1 1 1 4  13 49  o 27.070  0.9901 -1.179000      1.980000  
1 1 1 4  13 50  o 15.000  1.0580 0.8737000E-01  2.116000  
1 1 1 4  13 51  o 15.130  1.1230 1.095000       2.246000  
1 1 1 4  13 52  o 23.840  0.8661 -1.236000      1.732000  
1 1 1 4  13 53  o 16.020  1.1480 -1.906000      2.296000  
1 1 1 4  13 54  o 10.780  1.6180 -0.9123000     3.235000  
1 1 1 4  13 55  o 14.900  1.2940 -0.4824000     2.588000  
1 1 1 4  13 56  o 23.490  0.9569 1.158000       1.914000  
1 1 1 4  13 57  o 26.060  0.9428 2.332000       1.886000  
1 1 1 4  13 58  o 19.720  1.1390 2.368000       2.277000  
1 1 1 4  13 59  o 8.0180  1.9610 -2.653000      3.922000  
1 1 1 4  13 60  o 17.250  1.3090 -0.2516000E-02 2.618000  
1 1 1 4  13 61  o 9.4730  2.0160 -1.839000      4.031000  
1 1 1 4  13 62  o 9.9420  2.0030 -2.305000      4.005000  
1 1 1 4  13 63  o 11.920  1.9370 -0.6856000     3.874000  
1 1 1 4  13 64  o 10.210  2.1710 1.016000       4.342000  
1 1 1 4  13 65  o 21.300  1.3210 3.116000       2.642000  
1 1 1 4  13 66  o 19.410  1.4030 -0.1149000     2.806000  
1 1 1 4  13 67  o 9.1020  2.2070 -2.244000      4.414000  
1 1 1 4  13 68  o 7.7280  2.1070 -3.132000      4.213000  
1 1 1 4  13 69  o 5.8190  1.8760 0.1671000      3.752000  
1 1 1 4  13 70  o 6.2090  1.9350 -2.540000      3.869000  
1 1 1 4  13 71  o 7.9230  2.4610 2.434000       4.922000  
1 1 1 4  13 72  o 16.200  1.8200 -3.736000      3.639000  
1 1 1 4  13 73  o 13.730  2.1140 1.270000       4.229000  
1 1 1 4  13 74  o 8.5660  2.3390 -0.6864000     4.679000  
1 1 1 4  13 75  o 8.5740  2.2510 3.461000       4.503000  
1 1 1 4  13 76  o 11.470  2.4720 2.855000       4.944000  
1 1 1 4  13 77  o 9.7910  2.4730 -0.7531000     4.947000  
1 1 1 4  13 78  o 6.4770  2.1050 -0.8582000     4.210000  
1 1 1 4  13 79  o 6.2230  2.0300 -0.8679000     4.060000  
1 1 1 4  13 80  o 6.9770  2.2150 -0.7962000     4.430000  
1 1 1 4  13 81  o 6.5060  2.1360 0.2522000      4.272000  
1 1 1 4  13 82  o 8.5040  2.4710 2.137000       4.941000  
1 1 1 4  13 83  o 6.3600  2.0210 -1.850000      4.042000  
1 1 1 4  13 84  o 5.8520  1.9650 1.058000       3.931000  
1 1 1 4  13 85  o 5.9710  2.8710 ?              ?         
1 1 1 4  13 86  o 5.7190  1.9530 1.354000       3.906000  
1 1 1 4  13 87  o 4.9540  1.7370 0.4328000      3.473000  
1 1 1 4  13 88  o 5.1290  1.8120 0.3654000      3.625000  
1 1 1 4  13 89  o 5.2700  1.8530 -0.1128000     3.705000  
1 1 1 4  13 90  o 5.2560  1.8470 -1.046000      3.694000  
1 1 1 4  13 91  o 5.1490  1.7870 -0.2562000     3.574000  
1 1 1 4  13 92  o 4.3990  1.5510 0.1842000      3.101000  
1 1 1 4  13 93  o 4.9640  2.4210 ?              ?         
1 1 1 4  14 0   o 12.890  0.4321 0.000000       0.000000  
1 1 1 4  14 1   o 13.220  0.3103 -0.3056000E-02 0.6206000 
1 1 1 4  14 2   o 27.880  0.4127 1.091000       0.8254000 
1 1 1 4  14 3   o 29.550  0.4318 -0.2270000     0.8637000 
1 1 1 4  14 4   o 16.810  0.4131 -3.723000      0.8262000 
1 1 1 4  14 5   o 37.460  0.5323 0.1158000      1.065000  
1 1 1 4  14 6   o 17.960  0.3720 0.5462000      0.7441000 
1 1 1 4  14 7   o 17.790  0.3478 0.1115000      0.6957000 
1 1 1 4  14 8   o 28.040  0.4160 0.4819000      0.8319000 
1 1 1 4  14 9   o 18.270  0.3559 1.781000       0.7118000 
1 1 1 4  14 10  f 21.630  0.3509 0.1624000      0.7019000 
1 1 1 4  14 11  o 21.380  0.3550 -0.1744000E-01 0.7099000 
1 1 1 4  14 12  o 23.120  0.3697 0.4338000      0.7394000 
1 1 1 4  14 13  o 15.940  0.3322 1.076000       0.6645000 
1 1 1 4  14 14  o 18.490  0.3438 0.5292000      0.6876000 
1 1 1 4  14 15  o 50.550  0.7079 -0.8358000     1.416000  
1 1 1 4  14 16  o 65.390  0.9098 0.2518000      1.820000  
1 1 1 4  14 17  o 9.5820  0.5055 -0.9809000     1.011000  
1 1 1 4  14 18  o 13.070  0.3593 -0.2037000     0.7187000 
1 1 1 4  14 19  o 27.020  0.4191 0.5060000      0.8382000 
1 1 1 4  14 20  o 32.980  0.4879 0.4504000      0.9757000 
1 1 1 4  14 21  o 33.160  0.4924 -0.5070000     0.9847000 
1 1 1 4  14 22  o 25.380  0.4415 0.5030000      0.8830000 
1 1 1 4  14 23  o 81.430  1.1330 -0.1741000     2.267000  
1 1 1 4  14 24  o 30.450  0.5409 -0.4851000     1.082000  
1 1 1 4  14 25  o 23.830  0.4343 0.6722000      0.8686000 
1 1 1 4  14 26  o 24.360  0.4425 0.3614000      0.8850000 
1 1 1 4  14 27  o 23.050  0.4391 0.2091000      0.8781000 
1 1 1 4  14 28  o 25.020  0.4924 -0.9948000     0.9847000 
1 1 1 4  14 29  o 19.700  0.4572 -1.047000      0.9144000 
1 1 1 4  14 30  o 20.430  0.4714 -0.3738000     0.9428000 
1 1 1 4  14 31  o 12.390  0.5372 -0.1865000     1.074000  
1 1 1 4  14 32  o 50.790  0.8356 -0.4157000     1.671000  
1 1 1 4  14 33  f 23.200  0.5759 2.054000       1.152000  
1 1 1 4  14 34  o 32.060  0.5864 -1.232000      1.173000  
1 1 1 4  14 35  o 23.940  0.5209 0.1181000      1.042000  
1 1 1 4  14 36  o 10.710  0.6943 -0.2282000     1.389000  
1 1 1 4  14 37  o 34.340  0.6187 0.4453000      1.237000  
1 1 1 4  14 38  o 14.920  0.5846 1.095000       1.169000  
1 1 1 4  14 39  o 19.470  0.5491 -0.5081000     1.098000  
1 1 1 4  14 40  o 44.500  0.7605 -0.8322000     1.521000  
1 1 1 4  14 41  o 28.740  0.5840 0.7419000E-01  1.168000  
1 1 1 4  14 42  o 23.610  0.6590 2.634000       1.318000  
1 1 1 4  14 43  o 57.820  1.0740 -0.8398000E-01 2.148000  
1 1 1 4  14 44  o 29.500  0.6931 2.551000       1.386000  
1 1 1 4  14 45  o 6.2350  1.4270 0.1180000      2.855000  
1 1 1 4  14 46  o 19.970  0.6993 2.263000       1.399000  
1 1 1 4  14 47  o 21.560  0.8350 -0.3368000     1.670000  
1 1 1 4  14 48  o 26.280  0.8164 -0.8556000     1.633000  
1 1 1 4  14 49  o 40.870  0.9306 -0.1534000     1.861000  
1 1 1 4  14 50  o 7.6470  1.7690 -0.9699000     3.538000  
1 1 1 4  14 51  o 6.3450  1.7150 1.725000       3.431000  
1 1 1 4  14 52  o 30.540  0.8887 1.689000       1.777000  
1 1 1 4  14 53  o 8.1300  1.8770 1.195000       3.754000  
1 1 1 4  14 54  o 21.530  0.9766 -0.9854000     1.953000  
1 1 1 4  14 55  o 8.2980  2.0940 -1.932000      4.188000  
1 1 1 4  14 56  o 17.860  1.1230 2.295000       2.247000  
1 1 1 4  14 57  o 19.650  1.1330 -2.119000      2.266000  
1 1 1 4  14 58  o 11.440  1.8190 0.2704000      3.639000  
1 1 1 4  14 59  o 15.390  1.5010 0.5109000      3.001000  
1 1 1 4  14 60  o 7.3720  2.0010 -2.503000      4.002000  
1 1 1 4  14 61  o 5.5480  1.7510 1.520000       3.501000  
1 1 1 4  14 62  o 13.890  1.7720 0.5817000      3.543000  
1 1 1 4  14 63  o 17.310  1.4910 -0.7701000     2.982000  
1 1 1 4  14 64  o 15.710  1.5820 -1.255000      3.164000  
1 1 1 4  14 65  o 7.6580  2.0670 -2.387000      4.134000  
1 1 1 4  14 66  o 11.840  2.0020 -2.332000      4.003000  
1 1 1 4  14 67  o 8.0160  2.1440 -1.028000      4.289000  
1 1 1 4  14 68  o 5.9590  1.8970 0.3011000      3.793000  
1 1 1 4  14 69  f 5.7750  1.8740 -1.056000      3.748000  
1 1 1 4  14 70  o 8.8770  2.2840 -1.772000      4.568000  
1 1 1 4  14 71  o 6.0980  1.9590 -1.017000      3.918000  
1 1 1 4  14 72  o 8.4260  2.2930 -1.514000      4.587000  
1 1 1 4  14 73  o 6.0300  1.9600 -0.2304000     3.920000  
1 1 1 4  14 74  o 6.0880  1.9660 -1.575000      3.933000  
1 1 1 4  14 75  o 6.2100  1.9960 -1.662000      3.993000  
1 1 1 4  14 76  o 5.6530  1.8730 -1.284000      3.746000  
1 1 1 4  14 77  f 5.6130  1.8620 -0.2949000     3.723000  
1 1 1 4  14 78  o 9.4700  2.6480 2.194000       5.296000  
1 1 1 4  14 79  o 6.1880  2.0960 0.5375000      4.192000  
1 1 1 4  14 80  o 5.7280  1.9230 -0.2896000     3.846000  
1 1 1 4  14 81  o 4.8010  1.6760 0.2183000      3.353000  
1 1 1 4  14 82  o 6.8020  2.1650 1.135000       4.329000  
1 1 1 4  14 83  o 6.9290  2.1000 -2.573000      4.200000  
1 1 1 4  14 84  o 5.5270  1.8680 -0.7695000     3.737000  
1 1 1 4  14 85  o 6.1090  2.0160 0.4563000      4.032000  
1 1 1 4  14 86  o 4.5930  1.6190 -0.1193000     3.237000  
1 1 1 4  14 87  o 5.5110  1.8650 -0.7457000     3.730000  
1 1 1 4  14 88  o 4.4600  1.5710 0.3648000E-01  3.142000  
1 1 1 4  14 89  o 4.4320  1.5590 0.6160000      3.119000  
1 1 1 4  14 90  o 4.1060  1.4450 0.7667000      2.890000  
1 1 1 4  14 91  o 3.9630  1.4140 -0.2735000E-01 2.828000  
1 1 1 4  15 0   o 34.010  0.6963 -0.000000      0.000000  
1 1 1 4  15 1   o 29.340  0.4338 2.050000       0.8675000 
1 1 1 4  15 2   o 27.280  0.4100 -0.1491000     0.8199000 
1 1 1 4  15 3   o 28.220  0.4553 0.2936000      0.9106000 
1 1 1 4  15 4   o 40.210  0.5702 0.7534000      1.140000  
1 1 1 4  15 5   o 40.440  0.5734 2.267000       1.147000  
1 1 1 4  15 6   o 31.870  0.5372 -0.5735000E-02 1.074000  
1 1 1 4  15 7   o 33.110  0.5213 0.3097000      1.043000  
1 1 1 4  15 8   o 49.260  0.6898 0.7563000      1.380000  
1 1 1 4  15 9   o 43.550  0.6144 0.4081000      1.229000  
1 1 1 4  15 10  o 43.170  0.6128 1.430000       1.226000  
1 1 1 4  15 11  o 15.690  0.4621 -4.125000      0.9243000 
1 1 1 4  15 12  f 58.520  0.8157 0.5482000      1.631000  
1 1 1 4  15 13  o 10.070  0.5399 -0.6822000     1.080000  
1 1 1 4  15 14  f 10.690  0.4006 1.733000       0.8011000 
1 1 1 4  15 15  o 15.130  0.4690 0.9040000      0.9380000 
1 1 1 4  15 16  o 44.150  0.6252 0.9052000      1.250000  
1 1 1 4  15 17  f 22.650  0.4893 -0.9406000     0.9785000 
1 1 1 4  15 18  o 34.530  0.5059 -0.1507000     1.012000  
1 1 1 4  15 19  o 25.430  0.4499 -1.388000      0.8997000 
1 1 1 4  15 20  o 43.700  0.6218 0.8548000      1.244000  
1 1 1 4  15 21  o 13.420  0.4597 0.6678000      0.9194000 
1 1 1 4  15 22  o 52.010  0.7334 -0.8216000     1.467000  
1 1 1 4  15 23  o 22.800  0.4608 -0.9202000     0.9216000 
1 1 1 4  15 24  o 28.190  0.4472 0.3483000      0.8945000 
1 1 1 4  15 25  o 22.260  0.4419 1.595000       0.8839000 
1 1 1 4  15 26  o 46.350  0.7137 0.1049000      1.427000  
1 1 1 4  15 27  o 13.290  0.5656 0.8749000E-01  1.131000  
1 1 1 4  15 28  o 43.470  0.6784 -0.7939000     1.357000  
1 1 1 4  15 29  o 11.960  0.7591 -0.1711000     1.518000  
1 1 1 4  15 30  o 56.530  0.9246 -1.889000      1.849000  
1 1 1 4  15 31  o 16.470  0.7254 -4.651000      1.451000  
1 1 1 4  15 32  o 39.010  0.6740 -1.248000      1.348000  
1 1 1 4  15 33  o 17.120  0.5312 1.857000       1.062000  
1 1 1 4  15 34  o 50.270  0.8353 0.1473000      1.671000  
1 1 1 4  15 35  o 10.050  0.9133 0.3071000      1.827000  
1 1 1 4  15 36  o 55.730  0.9189 -0.3099000     1.838000  
1 1 1 4  15 37  o 16.390  0.6354 -1.313000      1.271000  
1 1 1 4  15 38  o 20.130  0.5394 -0.2945000     1.079000  
1 1 1 4  15 39  o 6.6800  1.1300 1.549000       2.260000  
1 1 1 4  15 40  o 22.230  0.5418 1.221000       1.084000  
1 1 1 4  15 41  o 19.400  0.5536 0.2163000      1.107000  
1 1 1 4  15 42  o 19.240  0.5689 -0.6188000     1.138000  
1 1 1 4  15 43  o 28.710  0.5868 -0.1119000     1.174000  
1 1 1 4  15 44  o 20.400  0.5968 0.2744000      1.194000  
1 1 1 4  15 45  o 11.890  0.7750 0.8070000      1.550000  
1 1 1 4  15 46  f 26.020  0.7065 0.3481000      1.413000  
1 1 1 4  15 47  o 35.630  0.7725 -1.506000      1.545000  
1 1 1 4  15 48  o 14.550  0.9551 -0.5599000     1.910000  
1 1 1 4  15 49  o 5.6040  1.5310 0.1969000      3.061000  
1 1 1 4  15 50  o 25.300  0.7533 -0.1531000     1.507000  
1 1 1 4  15 51  o 9.3080  1.7260 -2.725000      3.452000  
1 1 1 4  15 52  o 14.560  1.2620 -1.370000      2.525000  
1 1 1 4  15 53  o 21.120  0.9753 -0.4934000     1.951000  
1 1 1 4  15 54  o 21.790  0.9858 -2.769000      1.972000  
1 1 1 4  15 55  o 12.570  1.6420 2.117000       3.284000  
1 1 1 4  15 56  o 24.290  0.9970 1.261000       1.994000  
1 1 1 4  15 57  o 7.9380  1.9780 0.2526000      3.957000  
1 1 1 4  15 58  o 14.700  1.5130 -0.8202000     3.026000  
1 1 1 4  15 59  o 7.3400  1.9550 2.057000       3.909000  
1 1 1 4  15 60  o 9.5920  2.0640 0.6067000      4.129000  
1 1 1 4  15 61  o 10.790  2.3400 -3.323000      4.681000  
1 1 1 4  15 62  o 8.9500  2.0890 0.8842000      4.178000  
1 1 1 4  15 63  o 8.3120  2.0050 3.082000       4.009000  
1 1 1 4  15 64  o 14.150  1.7660 2.962000       3.532000  
1 1 1 4  15 65  o 6.2370  1.9300 0.8160000E-01  3.860000  
1 1 1 4  15 66  o 9.0930  2.1580 1.198000       4.317000  
1 1 1 4  15 67  o 6.7050  2.0090 -0.8924000     4.018000  
1 1 1 4  15 68  o 7.3070  2.0960 -1.624000      4.193000  
1 1 1 4  15 69  f 7.1350  2.0580 -3.376000      4.116000  
1 1 1 4  15 70  o 7.6190  2.1780 1.403000       4.356000  
1 1 1 4  15 71  o 7.7670  2.1850 1.435000       4.369000  
1 1 1 4  15 72  o 11.130  2.2420 -1.793000      4.485000  
1 1 1 4  15 73  o 4.9170  1.6770 -0.3522000E-01 3.354000  
1 1 1 4  15 74  o 8.3240  2.1830 3.080000       4.367000  
1 1 1 4  15 75  o 9.0370  2.3180 0.1650000      4.636000  
1 1 1 4  15 76  o 6.8020  2.1050 -1.875000      4.210000  
1 1 1 4  15 77  o 5.8640  1.9080 1.141000       3.816000  
1 1 1 4  15 78  o 5.9510  1.9080 1.625000       3.815000  
1 1 1 4  15 79  o 5.7120  1.8830 0.5865000      3.766000  
1 1 1 4  15 80  o 5.5230  1.8340 -0.7982000     3.668000  
1 1 1 4  15 81  o 5.2530  1.7580 -0.3693000     3.516000  
1 1 1 4  15 82  o 5.9150  1.9340 -0.2776000     3.869000  
1 1 1 4  15 83  o 4.9150  1.6880 0.6096000      3.376000  
1 1 1 4  15 84  o 6.0450  1.9930 1.244000       3.985000  
1 1 1 4  15 85  o 5.2380  1.7740 -0.5469000     3.547000  
1 1 1 4  15 86  o 5.1080  1.7510 0.2649000E-01  3.501000  
1 1 1 4  15 87  o 4.2480  2.1200 ?              ?         
1 1 1 4  15 88  o 3.8210  1.3570 -0.2538000     2.714000  
1 1 1 4  15 89  o 3.8060  1.3160 -1.002000      2.632000  
1 1 1 4  15 90  o 3.6910  1.8800 ?              ?         
1 1 1 4  16 0   f 36.660  0.7407 0.000000       0.000000  
1 1 1 4  16 1   o 23.380  0.4052 1.486000       0.8103000 
1 1 1 4  16 2   o 32.210  0.4704 0.5509000      0.9408000 
1 1 1 4  16 3   o 5.6760  0.8181 1.089000       1.636000  
1 1 1 4  16 4   o 8.9040  0.5023 -1.497000      1.005000  
1 1 1 4  16 5   o 19.200  0.3435 -0.1566000     0.6869000 
1 1 1 4  16 6   o 21.190  0.3567 0.8677000      0.7135000 
1 1 1 4  16 7   o 22.770  0.3717 -0.2572000     0.7434000 
1 1 1 4  16 8   o 32.910  0.4808 -0.3802000E-01 0.9617000 
1 1 1 4  16 9   o 33.900  0.4934 0.6033000      0.9867000 
1 1 1 4  16 10  o 9.2840  0.5366 -1.627000      1.073000  
1 1 1 4  16 11  o 20.700  0.4222 1.510000       0.8444000 
1 1 1 4  16 12  o 56.290  0.7854 0.8341000      1.571000  
1 1 1 4  16 13  o 35.190  0.5960 -0.4164000     1.192000  
1 1 1 4  16 14  o 48.200  0.6788 1.166000       1.358000  
1 1 1 4  16 15  o 8.1740  0.9824 ?              ?         
1 1 1 4  16 16  o 36.910  0.5359 1.079000       1.072000  
1 1 1 4  16 17  o 46.680  0.6612 0.3069000      1.322000  
1 1 1 4  16 18  f 37.630  0.5899 1.785000       1.180000  
1 1 1 4  16 19  o 5.3740  0.9967 -2.837000      1.993000  
1 1 1 4  16 20  f 41.970  0.6047 0.5167000E-01  1.209000  
1 1 1 4  16 21  o 34.710  0.5983 -1.230000      1.197000  
1 1 1 4  16 22  f 26.140  0.4323 -0.5527000E-01 0.8647000 
1 1 1 4  16 23  o 49.510  0.7024 -0.1358000     1.405000  
1 1 1 4  16 24  o 30.750  0.5168 0.4090000      1.034000  
1 1 1 4  16 25  o 30.410  0.5563 -1.124000      1.113000  
1 1 1 4  16 26  o 38.530  0.5718 -1.892000      1.144000  
1 1 1 4  16 27  o 27.250  0.4572 -1.443000      0.9145000 
1 1 1 4  16 28  o 37.850  0.6058 0.5350000      1.212000  
1 1 1 4  16 29  o 18.560  0.4899 0.1026000      0.9797000 
1 1 1 4  16 30  f 38.070  0.6123 0.6753000      1.225000  
1 1 1 4  16 31  o 41.230  0.7032 0.2184000      1.406000  
1 1 1 4  16 32  o 55.130  0.9079 0.1954000      1.816000  
1 1 1 4  16 33  o 47.720  0.7987 1.949000       1.597000  
1 1 1 4  16 34  o 37.490  0.6582 0.4993000E-01  1.316000  
1 1 1 4  16 35  o 26.560  0.5456 -0.9534000     1.091000  
1 1 1 4  16 36  o 12.620  0.6559 -0.4117000     1.312000  
1 1 1 4  16 37  o 11.960  0.6619 -1.182000      1.324000  
1 1 1 4  16 38  o 13.120  0.6506 -1.071000      1.301000  
1 1 1 4  16 39  o 13.060  0.6671 -0.1818000     1.334000  
1 1 1 4  16 40  o 31.720  0.6098 0.4700000      1.220000  
1 1 1 4  16 41  o 9.8810  0.8619 0.5669000      1.724000  
1 1 1 4  16 42  o 5.3460  1.2540 0.5214000      2.507000  
1 1 1 4  16 43  o 4.2520  1.2170 -0.8888000     2.433000  
1 1 1 4  16 44  f 35.380  0.6637 -0.4086000     1.327000  
1 1 1 4  16 45  o 6.8980  1.3210 1.488000       2.642000  
1 1 1 4  16 46  o 41.620  0.7473 -0.1673000     1.495000  
1 1 1 4  16 47  o 36.590  0.6944 -1.364000      1.389000  
1 1 1 4  16 48  o 26.150  0.7697 1.275000       1.539000  
1 1 1 4  16 49  o 19.370  0.6494 -0.3624000     1.299000  
1 1 1 4  16 50  o 8.3310  1.5130 -1.685000      3.025000  
1 1 1 4  16 51  o 15.140  1.0030 -0.8648000     2.006000  
1 1 1 4  16 52  o 7.5740  1.4760 -3.412000      2.952000  
1 1 1 4  16 53  o 8.3440  1.3560 -6.258000      2.711000  
1 1 1 4  16 54  o 38.560  0.8559 -1.771000      1.712000  
1 1 1 4  16 55  o 9.1020  1.9630 1.382000       3.926000  
1 1 1 4  16 56  o 10.160  1.9150 2.653000       3.830000  
1 1 1 4  16 57  f 9.4170  2.0010 -0.8355000     4.002000  
1 1 1 4  16 58  o 5.6650  1.7730 -0.1070000     3.546000  
1 1 1 4  16 59  o 8.3020  2.0320 1.174000       4.065000  
1 1 1 4  16 60  o 27.480  1.4350 ?              ?         
1 1 1 4  16 61  o 5.5180  1.7800 0.3340000      3.560000  
1 1 1 4  16 62  o 6.7150  1.9780 -0.2994000     3.955000  
1 1 1 4  16 63  o 9.5950  2.0810 -1.867000      4.163000  
1 1 1 4  16 64  o 6.9280  1.9360 2.847000       3.872000  
1 1 1 4  16 65  o 9.6890  2.1370 -0.3483000     4.274000  
1 1 1 4  16 66  o 7.8350  2.0000 3.637000       4.001000  
1 1 1 4  16 67  o 6.1990  1.9190 -1.590000      3.837000  
1 1 1 4  16 68  o 6.1020  2.0230 -0.2849000E-01 4.047000  
1 1 1 4  16 69  o 7.9820  2.1920 -0.5470000E-01 4.384000  
1 1 1 4  16 70  o 6.8420  2.0420 0.8300000E-01  4.084000  
1 1 1 4  16 71  f 7.0780  2.0670 -3.409000      4.133000  
1 1 1 4  16 72  o 7.0030  2.0980 -1.280000      4.196000  
1 1 1 4  16 73  f 5.9480  1.9360 -0.1502000     3.871000  
1 1 1 4  16 74  o 5.6560  1.8610 0.4298000      3.722000  
1 1 1 4  16 75  o 6.2130  1.9700 -1.936000      3.940000  
1 1 1 4  16 76  f 6.4100  1.9960 2.096000       3.993000  
1 1 1 4  16 77  o 5.2890  1.7640 -0.7112000     3.528000  
1 1 1 4  16 78  o 5.4530  1.8070 0.7924000      3.615000  
1 1 1 4  16 79  o 5.7000  1.8530 -1.129000      3.706000  
1 1 1 4  16 80  o 5.2580  1.7700 -0.9391000     3.539000  
1 1 1 4  16 81  o 8.6830  2.2470 2.460000       4.494000  
1 1 1 4  16 82  o 5.5040  1.8350 -0.2367000     3.671000  
1 1 1 4  16 83  o 4.8920  1.6810 -0.1842000     3.363000  
1 1 1 4  16 84  o 5.3240  1.7820 -0.4972000     3.563000  
1 1 1 4  16 85  o 4.9370  1.6640 1.754000       3.329000  
1 1 1 4  16 86  o 4.6000  1.5640 -1.119000      3.128000  
1 1 1 4  16 87  f 4.7010  1.4930 -2.265000      2.986000  
1 1 1 4  16 88  o 4.6010  1.5930 0.5051000      3.187000  
1 1 1 4  16 89  o 3.3110  1.6960 ?              ?         
1 1 1 4  17 0   o 8.1820  0.6916 0.000000       0.000000  
1 1 1 4  17 1   o 13.890  0.4665 -1.560000      0.9330000 
1 1 1 4  17 2   o 46.090  0.6489 0.7867000      1.298000  
1 1 1 4  17 3   o 29.830  0.5202 0.1210000      1.040000  
1 1 1 4  17 4   o 39.960  0.5712 1.392000       1.142000  
1 1 1 4  17 5   o 51.160  0.7169 -0.5570000     1.434000  
1 1 1 4  17 6   o 19.190  0.5123 -0.9634000     1.025000  
1 1 1 4  17 7   o 46.210  0.6522 0.5729000      1.304000  
1 1 1 4  17 8   o 12.560  0.8244 ?              ?         
1 1 1 4  17 9   o 17.980  0.4161 -0.7028000     0.8322000 
1 1 1 4  17 10  o 34.350  0.5033 0.9090000E-02  1.007000  
1 1 1 4  17 11  o 12.090  0.7949 ?              ?         
1 1 1 4  17 12  o 63.700  0.8884 2.638000       1.777000  
1 1 1 4  17 13  o 46.750  0.7677 1.505000       1.535000  
1 1 1 4  17 14  o 16.680  0.5661 3.929000       1.132000  
1 1 1 4  17 15  o 40.640  0.5862 1.351000       1.172000  
1 1 1 4  17 16  o 24.500  0.5344 0.3403000      1.069000  
1 1 1 4  17 17  o 14.070  0.4091 -2.001000      0.8183000 
1 1 1 4  17 18  f 25.060  0.4213 -0.5902000     0.8426000 
1 1 1 4  17 19  o 58.010  0.8158 1.328000       1.632000  
1 1 1 4  17 20  o 16.390  0.5833 -0.4185000     1.167000  
1 1 1 4  17 21  o 16.900  0.4496 0.9003000      0.8991000 
1 1 1 4  17 22  o 46.420  0.6654 0.2792000      1.331000  
1 1 1 4  17 23  o 31.010  0.5668 0.9091000      1.134000  
1 1 1 4  17 24  o 41.490  0.6083 0.6723000      1.217000  
1 1 1 4  17 25  o 32.140  0.5015 0.2517000      1.003000  
1 1 1 4  17 26  o 20.090  0.4278 1.576000       0.8555000 
1 1 1 4  17 27  o 29.410  0.4779 0.2083000      0.9557000 
1 1 1 4  17 28  o 29.050  0.4724 -0.2803000     0.9447000 
1 1 1 4  17 29  o 9.1090  0.8482 -1.532000      1.696000  
1 1 1 4  17 30  f 38.090  0.6153 1.619000       1.231000  
1 1 1 4  17 31  o 42.690  0.6739 0.2429000      1.348000  
1 1 1 4  17 32  o 41.350  0.7108 0.8885000      1.422000  
1 1 1 4  17 33  o 33.930  0.6151 -0.8483000     1.230000  
1 1 1 4  17 34  o 41.770  0.7216 0.9782000      1.443000  
1 1 1 4  17 35  o 9.3160  1.0620 -1.281000      2.124000  
1 1 1 4  17 36  o 12.070  0.6884 0.3352000      1.377000  
1 1 1 4  17 37  o 21.820  0.5409 -1.158000      1.082000  
1 1 1 4  17 38  o 12.930  0.6840 -1.111000      1.368000  
1 1 1 4  17 39  o 6.8680  1.2090 -1.076000      2.418000  
1 1 1 4  17 40  o 21.910  0.5830 -0.7341000     1.166000  
1 1 1 4  17 41  o 39.170  0.7064 0.6977000      1.413000  
1 1 1 4  17 42  o 36.670  0.6777 0.2604000      1.355000  
1 1 1 4  17 43  o 16.320  0.6700 2.102000       1.340000  
1 1 1 4  17 44  o 15.430  0.6895 -0.5835000     1.379000  
1 1 1 4  17 45  o 20.670  0.6257 -0.7964000     1.251000  
1 1 1 4  17 46  o 16.790  0.8566 -5.006000      1.713000  
1 1 1 4  17 47  o 37.210  0.7119 -0.9482000     1.424000  
1 1 1 4  17 48  o 27.440  0.6505 0.7393000E-01  1.301000  
1 1 1 4  17 49  o 25.730  0.6577 -0.4258000     1.315000  
1 1 1 4  17 50  o 21.060  0.7028 -0.8670000     1.406000  
1 1 1 4  17 51  o 6.0980  1.4780 -0.5027000     2.955000  
1 1 1 4  17 52  o 20.500  0.7013 -0.7516000E-01 1.403000  
1 1 1 4  17 53  o 20.460  0.7153 2.058000       1.431000  
1 1 1 4  17 54  o 23.200  0.8543 -0.1906000     1.709000  
1 1 1 4  17 55  o 23.860  0.8714 -0.6101000     1.743000  
1 1 1 4  17 56  o 4.5910  1.4560 -0.2393000     2.912000  
1 1 1 4  17 57  o 5.5320  1.5920 -0.3122000     3.185000  
1 1 1 4  17 58  o 8.5090  1.7310 -0.7058000     3.461000  
1 1 1 4  17 59  o 23.450  0.9526 -1.325000      1.905000  
1 1 1 4  17 60  o 7.4440  1.9850 -2.873000      3.971000  
1 1 1 4  17 61  o 9.9610  2.0540 2.887000       4.107000  
1 1 1 4  17 62  f 7.6620  2.0180 1.955000       4.036000  
1 1 1 4  17 63  o 6.6000  1.9530 0.1409000      3.906000  
1 1 1 4  17 64  o 6.2920  1.9150 -1.749000      3.830000  
1 1 1 4  17 65  o 5.4520  1.7930 -0.3947000     3.586000  
1 1 1 4  17 66  f 9.3180  2.1720 -0.5869000     4.343000  
1 1 1 4  17 67  o 10.990  2.1070 -2.755000      4.213000  
1 1 1 4  17 68  o 7.6050  2.0860 -2.477000      4.172000  
1 1 1 4  17 69  o 6.3730  1.9600 -1.105000      3.920000  
1 1 1 4  17 70  o 6.5100  1.9850 -0.9876000     3.969000  
1 1 1 4  17 71  o 7.2480  2.0530 -3.138000      4.105000  
1 1 1 4  17 72  o 6.4190  1.9980 -1.198000      3.996000  
1 1 1 4  17 73  o 5.7520  1.8490 1.804000       3.699000  
1 1 1 4  17 74  o 5.3910  1.7780 0.1426000      3.556000  
1 1 1 4  17 75  o 4.5310  1.5720 -0.5471000     3.144000  
1 1 1 4  17 76  o 9.7320  2.5260 0.1557000E-01  5.053000  
1 1 1 4  17 77  o 5.3790  1.7910 -0.2288000E-01 3.583000  
1 1 1 4  17 78  f 5.9340  1.8790 -2.329000      3.757000  
1 1 1 4  17 79  o 5.9140  1.9010 -2.601000      3.801000  
1 1 1 4  17 80  o 5.5640  1.8280 1.091000       3.656000  
1 1 1 4  17 81  o 5.1720  1.7350 0.1356000      3.471000  
1 1 1 4  17 82  o 4.5370  1.5720 -0.7605000E-01 3.144000  
1 1 1 4  17 83  o 4.0040  1.4160 -0.2786000     2.832000  
1 1 1 4  17 84  o 4.6420  1.5790 -0.3585000     3.158000  
1 1 1 4  17 85  o 3.4650  1.2230 -0.4459000     2.447000  
1 1 1 4  17 86  f 3.4840  1.2580 0.8179000E-01  2.515000  
1 1 1 4  17 87  o 4.2820  2.1400 ?              ?         
1 1 1 4  18 0   o 32.640  0.6870 -0.000000      0.000000  
1 1 1 4  18 1   o 18.080  0.4285 1.881000       0.8571000 
1 1 1 4  18 2   o 18.880  0.4029 0.8518000      0.8059000 
1 1 1 4  18 3   o 39.390  0.6135 0.7606000      1.227000  
1 1 1 4  18 4   o 43.770  0.6233 0.5888000      1.247000  
1 1 1 4  18 5   o 25.650  0.4854 3.020000       0.9707000 
1 1 1 4  18 6   o 49.880  0.7053 -0.5674000     1.411000  
1 1 1 4  18 7   o 48.150  0.6825 0.4068000      1.365000  
1 1 1 4  18 8   o 31.950  0.5221 -3.045000      1.044000  
1 1 1 4  18 9   o 34.210  0.5100 -1.166000      1.020000  
1 1 1 4  18 10  o 17.050  0.5245 -5.376000      1.049000  
1 1 1 4  18 11  o 50.710  0.7164 0.4359000      1.433000  
1 1 1 4  18 12  o 52.760  0.7443 -0.5699000     1.489000  
1 1 1 4  18 13  o 14.480  0.5548 2.612000       1.110000  
1 1 1 4  18 14  o 16.410  0.4241 -0.7009000     0.8482000 
1 1 1 4  18 15  o 32.880  0.4961 -0.3919000     0.9923000 
1 1 1 4  18 16  o 10.110  0.8417 -4.879000      1.683000  
1 1 1 4  18 17  o 16.580  0.3996 -0.3787000     0.7991000 
1 1 1 4  18 18  o 17.870  0.3994 0.5542000E-01  0.7989000 
1 1 1 4  18 19  o 12.250  0.6588 2.785000       1.318000  
1 1 1 4  18 20  o 48.250  0.6906 0.8150000      1.381000  
1 1 1 4  18 21  o 36.470  0.5470 -0.9576000     1.094000  
1 1 1 4  18 22  o 33.730  0.5561 1.077000       1.112000  
1 1 1 4  18 23  o 44.280  0.6399 -0.7554000     1.280000  
1 1 1 4  18 24  o 30.030  0.4823 1.240000       0.9645000 
1 1 1 4  18 25  o 16.210  0.5126 0.3413000      1.025000  
1 1 1 4  18 26  o 22.200  0.4311 1.226000       0.8621000 
1 1 1 4  18 27  o 28.320  0.4680 0.8902000      0.9361000 
1 1 1 4  18 28  o 15.370  0.4714 0.5961000      0.9428000 
1 1 1 4  18 29  o 12.570  0.5113 -0.2929000     1.023000  
1 1 1 4  18 30  o 20.740  0.4709 -0.3217000     0.9418000 
1 1 1 4  18 31  o 8.2930  0.8621 2.365000       1.724000  
1 1 1 4  18 32  o 15.830  0.5115 -1.006000      1.023000  
1 1 1 4  18 33  o 32.150  0.6019 -0.8011000     1.204000  
1 1 1 4  18 34  o 20.960  0.5472 0.6799000      1.094000  
1 1 1 4  18 35  o 25.350  0.5504 0.2794000      1.101000  
1 1 1 4  18 36  o 21.550  0.5568 0.7643000      1.114000  
1 1 1 4  18 37  o 33.080  0.6873 -0.6266000     1.375000  
1 1 1 4  18 38  o 21.670  0.5848 0.7091000      1.170000  
1 1 1 4  18 39  o 36.760  0.6736 -0.6181000     1.347000  
1 1 1 4  18 40  o 23.790  0.6917 1.543000       1.383000  
1 1 1 4  18 41  o 25.550  0.5972 0.9229000      1.194000  
1 1 1 4  18 42  o 7.4730  1.1640 -6.198000      2.328000  
1 1 1 4  18 43  o 20.830  0.6254 -0.7650000     1.251000  
1 1 1 4  18 44  f 30.390  0.6404 0.9948000E-01  1.281000  
1 1 1 4  18 45  o 7.7480  1.3120 1.666000       2.624000  
1 1 1 4  18 46  o 12.090  0.8902 -0.3236000     1.780000  
1 1 1 4  18 47  o 23.040  0.6433 -0.7366000     1.287000  
1 1 1 4  18 48  o 5.4700  1.4460 0.4316000E-02  2.891000  
1 1 1 4  18 49  o 10.480  1.0870 2.635000       2.173000  
1 1 1 4  18 50  o 11.970  0.9650 0.5527000      1.930000  
1 1 1 4  18 51  o 22.000  0.6802 -0.2487000     1.360000  
1 1 1 4  18 52  o 10.910  1.1310 0.9279000      2.262000  
1 1 1 4  18 53  o 27.540  0.6794 -0.6553000     1.359000  
1 1 1 4  18 54  o 7.7970  1.4060 1.078000       2.813000  
1 1 1 4  18 55  o 11.480  1.0440 0.9135000      2.087000  
1 1 1 4  18 56  o 6.1250  1.4400 -2.901000      2.880000  
1 1 1 4  18 57  o 15.110  0.8977 1.214000       1.795000  
1 1 1 4  18 58  o 6.9170  1.4890 1.270000       2.979000  
1 1 1 4  18 59  o 14.330  1.2740 0.8166000E-01  2.547000  
1 1 1 4  18 60  o 6.3180  1.7260 0.7955000      3.452000  
1 1 1 4  18 61  o 6.4760  1.7040 -0.7242000     3.409000  
1 1 1 4  18 62  o 6.9510  1.6000 -2.971000      3.199000  
1 1 1 4  18 63  o 9.8750  1.6850 3.094000       3.371000  
1 1 1 4  18 64  o 9.1270  2.0960 -2.240000      4.192000  
1 1 1 4  18 65  o 5.5120  1.7810 -0.4212000     3.561000  
1 1 1 4  18 66  o 7.8710  2.0930 -0.3641000     4.186000  
1 1 1 4  18 67  o 6.9850  2.0140 1.146000       4.027000  
1 1 1 4  18 68  f 4.8850  1.6470 0.1756000      3.295000  
1 1 1 4  18 69  o 8.0580  2.0690 2.327000       4.138000  
1 1 1 4  18 70  o 6.5450  1.9860 -0.4592000     3.971000  
1 1 1 4  18 71  o 5.5740  1.7940 1.358000       3.588000  
1 1 1 4  18 72  o 6.3210  1.9490 0.9802000      3.898000  
1 1 1 4  18 73  o 6.2820  1.9120 -2.767000      3.824000  
1 1 1 4  18 74  o 6.3820  1.9140 2.986000       3.829000  
1 1 1 4  18 75  o 6.0890  1.9180 -1.290000      3.837000  
1 1 1 4  18 76  o 5.1770  1.7380 0.6329000      3.477000  
1 1 1 4  18 77  o 5.3680  1.7810 1.085000       3.562000  
1 1 1 4  18 78  o 5.6250  1.8570 0.8598000      3.714000  
1 1 1 4  18 79  o 5.6240  1.8380 1.170000       3.676000  
1 1 1 4  18 80  o 6.9370  2.0520 -0.8925000     4.104000  
1 1 1 4  18 81  o 5.0030  1.6780 -1.400000      3.356000  
1 1 1 4  18 82  o 4.8500  1.6150 -0.8731000     3.230000  
1 1 1 4  18 83  o 3.9880  1.3640 -0.8698000     2.727000  
1 1 1 4  18 84  o 3.9620  1.3940 0.1124000      2.789000  
1 1 1 4  18 85  o 4.5170  2.2390 ?              ?         
1 1 1 4  19 0   o 26.470  0.8617 -0.000000      0.000000  
1 1 1 4  19 1   o 47.050  0.6687 0.2060000      1.337000  
1 1 1 4  19 2   o 42.810  0.8150 8.795000       1.630000  
1 1 1 4  19 3   o 74.150  1.0320 0.5762000      2.065000  
1 1 1 4  19 4   f 44.010  0.8081 7.237000       1.616000  
1 1 1 4  19 5   f 27.050  0.4717 0.7238000      0.9434000 
1 1 1 4  19 6   o 20.710  0.4194 1.151000       0.8389000 
1 1 1 4  19 7   o 20.040  0.4445 0.4948000      0.8890000 
1 1 1 4  19 8   o 45.960  0.6536 0.1391000      1.307000  
1 1 1 4  19 9   o 32.320  0.6992 -0.1878000     1.398000  
1 1 1 4  19 10  o 65.640  0.9159 1.789000       1.832000  
1 1 1 4  19 11  o 40.090  0.6739 1.230000       1.348000  
1 1 1 4  19 12  o 15.990  0.5467 0.8258000      1.093000  
1 1 1 4  19 13  o 19.160  0.4337 -1.254000      0.8674000 
1 1 1 4  19 14  f 34.420  0.5138 -1.019000      1.028000  
1 1 1 4  19 15  o 35.900  0.5333 0.4499000      1.067000  
1 1 1 4  19 16  o 40.270  0.5864 0.5554000      1.173000  
1 1 1 4  19 17  f 22.230  0.4867 -1.535000      0.9734000 
1 1 1 4  19 18  o 25.230  0.4316 -0.4234000     0.8631000 
1 1 1 4  19 19  o 6.0280  0.8579 -5.212000      1.716000  
1 1 1 4  19 20  o 13.970  0.4514 -1.077000      0.9028000 
1 1 1 4  19 21  o 13.510  0.4662 0.9499000      0.9324000 
1 1 1 4  19 22  o 24.280  0.4364 0.2444000E-01  0.8729000 
1 1 1 4  19 23  o 30.240  0.4808 0.5169000      0.9616000 
1 1 1 4  19 24  o 24.720  0.4422 0.3886000      0.8844000 
1 1 1 4  19 25  o 18.270  0.4381 0.4479000      0.8762000 
1 1 1 4  19 26  o 26.610  0.4593 0.6468000E-01  0.9186000 
1 1 1 4  19 27  o 12.910  0.6242 -3.567000      1.248000  
1 1 1 4  19 28  o 25.710  0.4627 0.1679000      0.9254000 
1 1 1 4  19 29  o 24.420  0.4584 0.6681000      0.9168000 
1 1 1 4  19 30  o 18.910  0.4560 -0.7102000E-01 0.9120000 
1 1 1 4  19 31  o 23.500  0.5010 -0.6364000E-01 1.002000  
1 1 1 4  19 32  o 39.760  0.6473 0.3057000      1.295000  
1 1 1 4  19 33  o 6.7430  1.1870 -3.912000      2.374000  
1 1 1 4  19 34  o 18.080  0.5842 0.3603000      1.168000  
1 1 1 4  19 35  o 23.650  0.5617 -0.9388000     1.123000  
1 1 1 4  19 36  o 6.4110  1.1800 -3.742000      2.359000  
1 1 1 4  19 37  o 15.830  0.6385 1.346000       1.277000  
1 1 1 4  19 38  o 21.140  0.5956 0.8463000      1.191000  
1 1 1 4  19 39  o 22.370  0.5970 0.6248000E-01  1.194000  
1 1 1 4  19 40  o 23.230  0.6082 -0.9937000E-01 1.216000  
1 1 1 4  19 41  o 36.190  0.7911 2.668000       1.582000  
1 1 1 4  19 42  o 38.720  0.7196 -0.4455000     1.439000  
1 1 1 4  19 43  o 5.9270  1.4110 1.346000       2.822000  
1 1 1 4  19 44  o 20.270  0.6392 -0.6811000     1.278000  
1 1 1 4  19 45  o 31.980  0.6581 0.3398000      1.316000  
1 1 1 4  19 46  o 18.100  0.6894 1.903000       1.379000  
1 1 1 4  19 47  o 22.110  0.6453 -0.4190000     1.291000  
1 1 1 4  19 48  o 3.9700  1.2100 -2.223000      2.419000  
1 1 1 4  19 49  o 9.2540  1.1700 -2.227000      2.341000  
1 1 1 4  19 50  o 13.520  0.8617 -0.3858000     1.723000  
1 1 1 4  19 51  o 6.2260  1.4300 -1.849000      2.859000  
1 1 1 4  19 52  o 11.100  1.0560 0.2039000      2.111000  
1 1 1 4  19 53  o 11.400  1.0500 -0.4477000     2.101000  
1 1 1 4  19 54  o 4.4620  1.3530 0.2885000      2.706000  
1 1 1 4  19 55  o 9.3370  1.2640 -1.010000      2.529000  
1 1 1 4  19 56  o 9.2660  1.3100 -1.004000      2.620000  
1 1 1 4  19 57  o 15.460  0.8128 0.2513000      1.626000  
1 1 1 4  19 58  o 6.9410  1.4610 -2.714000      2.922000  
1 1 1 4  19 59  o 3.9940  1.2870 -0.4535000     2.574000  
1 1 1 4  19 60  o 8.4020  1.4100 2.452000       2.819000  
1 1 1 4  19 61  o 12.300  1.0090 -0.5197000     2.017000  
1 1 1 4  19 62  o 11.980  1.0680 -0.4840000     2.135000  
1 1 1 4  19 63  o 6.4650  1.5130 -0.2478000     3.026000  
1 1 1 4  19 64  o 6.4500  1.7120 0.1625000      3.424000  
1 1 1 4  19 65  o 8.1600  1.7440 -0.6408000     3.488000  
1 1 1 4  19 66  o 5.9260  1.7230 0.3936000      3.445000  
1 1 1 4  19 67  o 13.940  1.3530 3.126000       2.705000  
1 1 1 4  19 68  o 5.9370  1.7000 0.3340000      3.400000  
1 1 1 4  19 69  o 6.1770  1.9270 -0.2114000     3.854000  
1 1 1 4  19 70  o 6.2910  1.9270 -1.487000      3.854000  
1 1 1 4  19 71  o 4.5310  1.5590 -0.6032000     3.117000  
1 1 1 4  19 72  o 4.9580  1.6650 0.5946000E-01  3.331000  
1 1 1 4  19 73  o 5.9020  1.8760 -1.253000      3.752000  
1 1 1 4  19 74  f 4.9910  1.6890 0.9463000E-01  3.378000  
1 1 1 4  19 75  o 5.6620  1.8430 1.228000       3.686000  
1 1 1 4  19 76  o 6.3570  1.9960 -1.659000      3.992000  
1 1 1 4  19 77  f 5.1020  1.7280 -0.4493000E-01 3.457000  
1 1 1 4  19 78  o 5.6340  1.8360 -0.9545000     3.672000  
1 1 1 4  19 79  o 4.4410  1.5470 -0.6151000     3.094000  
1 1 1 4  19 80  o 4.0450  1.4110 0.3416000      2.821000  
1 1 1 4  19 81  o 3.5230  1.2350 0.7978000E-01  2.470000  
1 1 1 4  19 82  o 4.7810  1.5830 -0.3141000     3.167000  
1 1 1 4  19 83  o 3.6500  1.3120 0.2562000E-01  2.624000  
1 1 1 4  20 0   o 12.060  0.7625 0.000000       0.000000  
1 1 1 4  20 1   o 20.710  0.3986 -0.9157000     0.7973000 
1 1 1 4  20 2   o 22.700  0.4115 -0.4431000     0.8230000 
1 1 1 4  20 3   o 20.040  0.4423 -1.556000      0.8847000 
1 1 1 4  20 4   o 39.240  0.6790 -14.32000      1.358000  
1 1 1 4  20 5   o 82.610  1.1510 -0.4398000     2.302000  
1 1 1 4  20 6   o 49.270  1.0040 -10.42000      2.009000  
1 1 1 4  20 7   o 19.090  0.5052 -10.20000      1.010000  
1 1 1 4  20 8   o 10.970  0.5030 -0.5349000     1.006000  
1 1 1 4  20 9   o 17.360  0.4027 0.4451000      0.8055000 
1 1 1 4  20 10  o 9.6240  0.7309 1.995000       1.462000  
1 1 1 4  20 11  o 23.540  0.4168 -0.7646000     0.8337000 
1 1 1 4  20 12  o 24.310  0.4239 -0.2708000     0.8479000 
1 1 1 4  20 13  o 24.420  0.4229 -0.5835000     0.8457000 
1 1 1 4  20 14  o 11.790  0.7269 -3.572000      1.454000  
1 1 1 4  20 15  o 29.980  0.5153 -0.7750000     1.031000  
1 1 1 4  20 16  o 34.290  0.5202 -0.5026000E-01 1.040000  
1 1 1 4  20 17  o 16.240  0.6662 -3.706000      1.332000  
1 1 1 4  20 18  o 24.660  0.4384 -0.2544000     0.8769000 
1 1 1 4  20 19  o 24.480  0.4406 -0.5781000     0.8813000 
1 1 1 4  20 20  o 10.240  0.6471 -0.4277000     1.294000  
1 1 1 4  20 21  o 28.720  0.4750 0.8583000      0.9500000 
1 1 1 4  20 22  o 14.640  0.5631 -1.350000      1.126000  
1 1 1 4  20 23  o 27.490  0.4702 -0.6885000     0.9404000 
1 1 1 4  20 24  o 15.190  0.4816 0.3276000      0.9632000 
1 1 1 4  20 25  o 20.710  0.4475 0.5058000      0.8950000 
1 1 1 4  20 26  o 22.890  0.4523 0.5149000      0.9046000 
1 1 1 4  20 27  o 7.9080  0.9454 -2.315000      1.891000  
1 1 1 4  20 28  o 32.470  0.5198 -0.1796000     1.040000  
1 1 1 4  20 29  o 11.210  0.6366 0.7650000      1.273000  
1 1 1 4  20 30  o 21.880  0.4605 0.7500000      0.9210000 
1 1 1 4  20 31  o 9.8500  0.7278 -0.5353000     1.456000  
1 1 1 4  20 32  o 5.0070  1.1450 -0.7524000     2.290000  
1 1 1 4  20 33  o 7.5980  1.0330 -0.7660000     2.066000  
1 1 1 4  20 34  o 35.500  0.6066 -0.2613000E-01 1.213000  
1 1 1 4  20 35  o 36.870  0.6301 0.2954000      1.260000  
1 1 1 4  20 36  o 26.860  0.5950 0.7072000E-01  1.190000  
1 1 1 4  20 37  f 11.570  0.9855 2.937000       1.971000  
1 1 1 4  20 38  o 19.950  0.6075 -0.4241000     1.215000  
1 1 1 4  20 39  o 10.380  0.9461 -0.4247000     1.892000  
1 1 1 4  20 40  o 5.3080  1.3760 0.8777000      2.751000  
1 1 1 4  20 41  o 25.230  0.6145 -0.1561000     1.229000  
1 1 1 4  20 42  o 24.370  0.6276 -0.9768000     1.255000  
1 1 1 4  20 43  o 21.560  0.6402 1.129000       1.280000  
1 1 1 4  20 44  o 27.240  0.6376 -0.9616000     1.275000  
1 1 1 4  20 45  o 12.530  0.8921 2.327000       1.784000  
1 1 1 4  20 46  o 8.2670  1.2700 -3.018000      2.539000  
1 1 1 4  20 47  o 9.8140  1.1460 -0.5651000E-01 2.291000  
1 1 1 4  20 48  o 14.480  0.8335 -1.925000      1.667000  
1 1 1 4  20 49  o 19.540  0.7117 -0.4854000     1.423000  
1 1 1 4  20 50  o 13.470  0.8835 1.430000       1.767000  
1 1 1 4  20 51  o 14.110  0.8700 -1.077000      1.740000  
1 1 1 4  20 52  o 19.010  0.7228 -0.4613000     1.446000  
1 1 1 4  20 53  o 11.130  1.0330 -0.7757000     2.065000  
1 1 1 4  20 54  o 23.510  0.6885 0.3732000      1.377000  
1 1 1 4  20 55  o 3.4720  1.1630 -0.1831000     2.326000  
1 1 1 4  20 56  o 10.680  1.1050 -0.7456000     2.211000  
1 1 1 4  20 57  o 4.9480  1.3990 -1.305000      2.798000  
1 1 1 4  20 58  o 7.7860  1.4440 0.3225000      2.887000  
1 1 1 4  20 59  o 8.1410  1.3100 -2.981000      2.621000  
1 1 1 4  20 60  o 5.8010  1.4160 2.731000       2.833000  
1 1 1 4  20 61  o 6.9210  1.5250 1.387000       3.050000  
1 1 1 4  20 62  o 6.5720  1.5000 2.277000       3.000000  
1 1 1 4  20 63  o 4.3060  1.3130 1.442000       2.626000  
1 1 1 4  20 64  o 4.6710  1.3680 2.111000       2.737000  
1 1 1 4  20 65  o 11.730  1.1400 0.5369000E-01  2.280000  
1 1 1 4  20 66  o 4.8560  1.4260 1.841000       2.851000  
1 1 1 4  20 67  o 5.0210  1.4450 -2.213000      2.891000  
1 1 1 4  20 68  o 4.7650  1.4320 -0.1095000     2.864000  
1 1 1 4  20 69  o 5.3450  1.6450 1.787000       3.290000  
1 1 1 4  20 70  o 6.8170  1.8010 1.453000       3.602000  
1 1 1 4  20 71  o 5.0950  1.5690 -0.5179000     3.137000  
1 1 1 4  20 72  o 4.7390  1.5260 0.2704000      3.052000  
1 1 1 4  20 73  o 7.0970  1.6670 -2.595000      3.334000  
1 1 1 4  20 74  o 6.5370  1.6190 -2.796000      3.238000  
1 1 1 4  20 75  o 4.9540  1.6790 -0.5013000     3.359000  
1 1 1 4  20 76  o 4.4050  1.5300 -0.8647000     3.060000  
1 1 1 4  20 77  o 5.0500  1.6880 -0.9154000     3.377000  
1 1 1 4  20 78  o 3.5300  1.2470 -0.1321000E-03 2.494000  
1 1 1 4  20 79  o 4.1520  1.3980 -0.4445000     2.796000  
1 1 1 4  20 80  o 5.9910  1.7920 -1.328000      3.584000  
1 1 1 4  20 81  o 3.2850  1.6850 ?              ?         
1 1 1 4  21 0   o 14.890  0.7066 -0.000000      0.000000  
1 1 1 4  21 1   o 25.250  0.4314 -1.529000      0.8628000 
1 1 1 4  21 2   o 31.130  0.5621 3.038000       1.124000  
1 1 1 4  21 3   o 37.400  0.6024 1.146000       1.205000  
1 1 1 4  21 4   o 41.080  0.6001 0.2337000      1.200000  
1 1 1 4  21 5   o 29.040  0.4645 -1.118000      0.9289000 
1 1 1 4  21 6   o 13.710  0.5578 -5.762000      1.116000  
1 1 1 4  21 7   o 7.2990  0.7573 0.4997000      1.515000  
1 1 1 4  21 8   o 7.3960  0.7618 0.9672000      1.524000  
1 1 1 4  21 9   o 11.850  0.5018 -1.211000      1.004000  
1 1 1 4  21 10  o 17.670  0.5817 -9.375000      1.163000  
1 1 1 4  21 11  o 43.770  0.6321 0.6453000      1.264000  
1 1 1 4  21 12  o 17.090  0.6149 0.2934000      1.230000  
1 1 1 4  21 13  o 18.400  0.4243 -0.1777000     0.8485000 
1 1 1 4  21 14  o 13.890  0.4737 1.136000       0.9474000 
1 1 1 4  21 15  o 17.530  0.4397 -0.6065000E-01 0.8794000 
1 1 1 4  21 16  o 16.610  0.4499 0.2564000      0.8998000 
1 1 1 4  21 17  o 7.3080  0.8465 -1.325000      1.693000  
1 1 1 4  21 18  o 18.370  0.4393 0.4738000      0.8787000 
1 1 1 4  21 19  o 13.200  0.5086 0.2195000      1.017000  
1 1 1 4  21 20  o 16.930  0.4564 -0.5677000     0.9128000 
1 1 1 4  21 21  o 18.070  0.4516 -1.202000      0.9033000 
1 1 1 4  21 22  o 10.960  0.6529 2.749000       1.306000  
1 1 1 4  21 23  o 5.6780  1.0760 -1.426000      2.151000  
1 1 1 4  21 24  o 22.080  0.4505 0.3157000      0.9010000 
1 1 1 4  21 25  o 18.740  0.4678 0.5016000      0.9355000 
1 1 1 4  21 26  o 7.1920  1.0400 -3.160000      2.080000  
1 1 1 4  21 27  o 10.860  0.6443 0.3841000      1.289000  
1 1 1 4  21 28  o 17.750  0.4890 0.9737000      0.9781000 
1 1 1 4  21 29  o 36.400  0.5646 -1.097000      1.129000  
1 1 1 4  21 30  f 6.3010  1.3050 0.3470000      2.610000  
1 1 1 4  21 31  o 26.010  0.4884 0.8224000      0.9768000 
1 1 1 4  21 32  o 9.2860  0.9574 -2.581000      1.915000  
1 1 1 4  21 33  o 21.040  0.4861 0.1497000      0.9721000 
1 1 1 4  21 34  o 18.210  0.5555 -1.634000      1.111000  
1 1 1 4  21 35  o 6.3360  1.2400 -0.3429000E-01 2.480000  
1 1 1 4  21 36  o 19.180  0.5466 -0.5014000     1.093000  
1 1 1 4  21 37  o 5.3990  1.3270 0.9564000      2.653000  
1 1 1 4  21 38  o 16.350  0.6679 -1.210000      1.336000  
1 1 1 4  21 39  f 8.1940  1.1860 -0.5001000     2.373000  
1 1 1 4  21 40  o 14.390  0.7296 0.8751000      1.459000  
1 1 1 4  21 41  f 14.090  0.7595 1.304000       1.519000  
1 1 1 4  21 42  o 11.510  0.9694 -0.1276000     1.939000  
1 1 1 4  21 43  o 13.330  0.8356 1.422000       1.671000  
1 1 1 4  21 44  o 5.7650  1.4160 0.5389000      2.832000  
1 1 1 4  21 45  o 4.0170  1.2450 -0.4120000     2.491000  
1 1 1 4  21 46  o 5.1860  1.3940 -0.8690000     2.788000  
1 1 1 4  21 47  o 21.260  0.6671 0.5316000      1.334000  
1 1 1 4  21 48  o 5.6810  1.4020 2.071000       2.804000  
1 1 1 4  21 49  o 20.210  0.6817 -1.702000      1.363000  
1 1 1 4  21 50  o 20.700  0.6741 -0.7864000     1.348000  
1 1 1 4  21 51  o 5.2110  1.4120 0.2409000      2.823000  
1 1 1 4  21 52  o 8.4010  1.3020 -0.4465000E-01 2.603000  
1 1 1 4  21 53  o 10.670  1.1330 1.501000       2.267000  
1 1 1 4  21 54  o 6.6960  1.4390 -2.745000      2.879000  
1 1 1 4  21 55  o 8.5430  1.3230 4.037000       2.646000  
1 1 1 4  21 56  o 5.1970  1.4390 1.138000       2.878000  
1 1 1 4  21 57  o 11.760  1.0130 0.6660000      2.026000  
1 1 1 4  21 58  o 5.2230  1.4340 -0.2199000     2.868000  
1 1 1 4  21 59  o 9.1210  1.3310 0.4845000      2.663000  
1 1 1 4  21 60  o 6.2940  1.5230 0.9932000      3.045000  
1 1 1 4  21 61  o 5.1860  1.4680 -0.5196000     2.936000  
1 1 1 4  21 62  o 3.9400  1.2610 0.8249000      2.523000  
1 1 1 4  21 63  o 10.880  1.1940 1.106000       2.388000  
1 1 1 4  21 64  o 5.3410  1.5070 -0.2594000     3.014000  
1 1 1 4  21 65  o 5.5310  1.5150 0.7198000      3.029000  
1 1 1 4  21 66  o 4.8760  1.4350 -0.1969000     2.869000  
1 1 1 4  21 67  o 4.7980  1.4030 -1.450000      2.806000  
1 1 1 4  21 68  o 5.2720  1.4880 0.1445000      2.976000  
1 1 1 4  21 69  o 5.1490  1.4290 -2.414000      2.858000  
1 1 1 4  21 70  o 4.1980  1.3290 -0.9599000     2.658000  
1 1 1 4  21 71  o 6.0180  1.4630 1.082000       2.926000  
1 1 1 4  21 72  o 3.6990  1.2220 0.5845000      2.445000  
1 1 1 4  21 73  o 3.2990  1.1220 0.2316000      2.245000  
1 1 1 4  21 74  o 4.3730  1.4010 -0.6611000     2.801000  
1 1 1 4  21 75  o 3.6870  1.2830 1.616000       2.566000  
1 1 1 4  21 76  o 4.0470  1.3050 -1.189000      2.610000  
1 1 1 4  21 77  o 4.9500  1.3750 -2.159000      2.750000  
1 1 1 4  21 78  o 4.6320  1.6020 0.9770000      3.205000  
1 1 1 4  22 0   o 27.340  0.9112 0.000000       0.000000  
1 1 1 4  22 1   o 31.200  0.4899 -0.4808000     0.9798000 
1 1 1 4  22 2   o 18.450  0.5897 -4.965000      1.179000  
1 1 1 4  22 3   o 23.520  0.5020 -1.118000      1.004000  
1 1 1 4  22 4   o 31.390  0.4932 0.5064000      0.9863000 
1 1 1 4  22 5   o 21.800  0.5323 -2.902000      1.065000  
1 1 1 4  22 6   o 23.140  0.4659 2.946000       0.9319000 
1 1 1 4  22 7   o 33.280  0.5151 -0.3889000     1.030000  
1 1 1 4  22 8   o 15.610  0.7509 -9.480000      1.502000  
1 1 1 4  22 9   o 32.390  0.5515 1.088000       1.103000  
1 1 1 4  22 10  o 42.050  0.6200 -3.008000      1.240000  
1 1 1 4  22 11  o 39.640  0.5907 -0.2605000     1.181000  
1 1 1 4  22 12  o 24.050  0.4838 -2.651000      0.9677000 
1 1 1 4  22 13  f 34.110  0.5279 1.070000       1.056000  
1 1 1 4  22 14  o 29.740  0.4897 -0.6838000     0.9794000 
1 1 1 4  22 15  f 7.2530  1.0240 5.784000       2.048000  
1 1 1 4  22 16  o 19.850  0.4925 -0.6161000     0.9850000 
1 1 1 4  22 17  o 35.340  0.5456 -0.6850000E-01 1.091000  
1 1 1 4  22 18  o 26.570  0.6239 -3.207000      1.248000  
1 1 1 4  22 19  o 18.980  0.4686 -2.129000      0.9373000 
1 1 1 4  22 20  o 28.390  0.4830 0.9707000      0.9661000 
1 1 1 4  22 21  o 10.200  0.8454 -3.371000      1.691000  
1 1 1 4  22 22  o 31.150  0.5071 -0.3602000     1.014000  
1 1 1 4  22 23  o 20.820  0.6167 -1.687000      1.233000  
1 1 1 4  22 24  o 11.910  0.5999 -1.151000      1.200000  
1 1 1 4  22 25  o 8.5440  0.8789 -2.835000      1.758000  
1 1 1 4  22 26  o 21.140  0.4755 0.3682000      0.9509000 
1 1 1 4  22 27  o 8.8530  0.8159 0.7510000      1.632000  
1 1 1 4  22 28  o 25.070  0.4804 -0.2689000     0.9608000 
1 1 1 4  22 29  o 26.420  0.4909 -0.7068000     0.9818000 
1 1 1 4  22 30  o 30.060  0.5170 0.1314000E-01  1.034000  
1 1 1 4  22 31  o 32.760  0.5416 0.3797000      1.083000  
1 1 1 4  22 32  o 17.380  0.5264 -0.4191000     1.053000  
1 1 1 4  22 33  f 12.520  0.6147 -1.076000      1.229000  
1 1 1 4  22 34  o 23.020  0.4997 -0.1662000     0.9993000 
1 1 1 4  22 35  o 22.540  0.5543 0.4364000      1.109000  
1 1 1 4  22 36  o 11.080  0.8291 0.8149000      1.658000  
1 1 1 4  22 37  o 13.700  0.6792 1.691000       1.358000  
1 1 1 4  22 38  o 4.6290  1.2700 1.481000       2.541000  
1 1 1 4  22 39  o 6.0070  1.3390 -0.4389000     2.678000  
1 1 1 4  22 40  f 4.1330  1.2320 -0.7582000     2.464000  
1 1 1 4  22 41  o 5.3370  1.3370 -1.101000      2.674000  
1 1 1 4  22 42  o 10.250  1.0170 0.6215000      2.034000  
1 1 1 4  22 43  o 5.9270  1.4020 0.5351000      2.804000  
1 1 1 4  22 44  o 15.220  0.7487 -0.1873000     1.497000  
1 1 1 4  22 45  o 15.060  0.7801 -2.795000      1.560000  
1 1 1 4  22 46  o 5.8540  1.3910 -0.6221000     2.782000  
1 1 1 4  22 47  o 17.360  0.7053 0.7594000      1.411000  
1 1 1 4  22 48  o 5.3380  1.3860 -1.122000      2.773000  
1 1 1 4  22 49  o 8.7020  1.2460 -3.167000      2.493000  
1 1 1 4  22 50  o 5.4900  1.4110 0.8113000      2.821000  
1 1 1 4  22 51  o 14.710  0.8092 -0.4821000     1.618000  
1 1 1 4  22 52  o 12.770  0.9386 0.7259000      1.877000  
1 1 1 4  22 53  o 11.500  1.0650 -3.248000      2.131000  
1 1 1 4  22 54  o 4.0350  1.2760 -1.015000      2.551000  
1 1 1 4  22 55  o 5.6340  1.4760 0.2922000      2.952000  
1 1 1 4  22 56  o 17.800  0.7911 -1.575000      1.582000  
1 1 1 4  22 57  o 4.1620  1.3050 -0.2963000E-01 2.609000  
1 1 1 4  22 58  o 5.5870  1.4370 2.332000       2.874000  
1 1 1 4  22 59  o 11.710  1.1030 -2.288000      2.206000  
1 1 1 4  22 60  o 5.3160  1.4630 0.2782000      2.926000  
1 1 1 4  22 61  o 6.9820  1.4630 -2.617000      2.925000  
1 1 1 4  22 62  o 6.0980  1.4880 -2.240000      2.976000  
1 1 1 4  22 63  o 4.5260  1.3630 -1.759000      2.726000  
1 1 1 4  22 64  o 5.7060  1.5040 0.1925000      3.007000  
1 1 1 4  22 65  o 5.1810  1.4370 -0.4458000     2.875000  
1 1 1 4  22 66  o 4.7500  1.3990 -0.4835000E-01 2.797000  
1 1 1 4  22 67  o 3.9080  1.2680 -0.5877000E-01 2.536000  
1 1 1 4  22 68  f 4.1570  1.2940 0.9112000      2.587000  
1 1 1 4  22 69  o 4.6750  1.3500 2.257000       2.700000  
1 1 1 4  22 70  o 3.5110  1.1680 0.4725000      2.335000  
1 1 1 4  22 71  o 3.8010  1.2380 -0.7278000     2.476000  
1 1 1 4  22 72  o 3.7710  1.2380 1.314000       2.476000  
1 1 1 4  22 73  o 3.5200  1.1740 0.3049000      2.348000  
1 1 1 4  22 74  o 3.9440  1.2660 -1.320000      2.533000  
1 1 1 4  22 75  o 3.9670  1.4080 -0.9086000E-01 2.816000  
1 1 1 4  23 0   o 21.940  0.8631 -0.000000      0.000000  
1 1 1 4  23 1   o 44.980  0.6556 -0.5967000E-01 1.311000  
1 1 1 4  23 2   o 28.760  0.5522 1.461000       1.104000  
1 1 1 4  23 3   o 15.410  0.5671 -2.923000      1.134000  
1 1 1 4  23 4   o 21.340  0.4428 -0.2463000     0.8857000 
1 1 1 4  23 5   o 16.920  0.5142 -1.017000      1.028000  
1 1 1 4  23 6   o 16.020  0.4633 0.6142000      0.9265000 
1 1 1 4  23 7   o 13.990  0.5221 1.028000       1.044000  
1 1 1 4  23 8   o 21.760  0.5796 -0.2957000     1.159000  
1 1 1 4  23 9   o 31.330  0.5863 -1.058000      1.173000  
1 1 1 4  23 10  f 39.120  0.5880 1.029000       1.176000  
1 1 1 4  23 11  o 30.450  0.6661 -9.863000      1.332000  
1 1 1 4  23 12  o 25.760  0.4634 0.8063000      0.9268000 
1 1 1 4  23 13  o 31.900  0.5137 0.5744000      1.027000  
1 1 1 4  23 14  o 12.450  0.7609 -1.170000      1.522000  
1 1 1 4  23 15  o 29.440  0.4943 -2.347000      0.9886000 
1 1 1 4  23 16  o 37.100  0.5704 0.6010000      1.141000  
1 1 1 4  23 17  o 23.180  0.6430 -10.95000      1.286000  
1 1 1 4  23 18  o 49.060  0.7130 -0.1156000     1.426000  
1 1 1 4  23 19  o 22.390  0.5723 -8.492000      1.145000  
1 1 1 4  23 20  o 10.270  0.6960 -0.9452000     1.392000  
1 1 1 4  23 21  o 23.670  0.4761 0.7324000      0.9523000 
1 1 1 4  23 22  o 27.640  0.4888 -0.1203000     0.9776000 
1 1 1 4  23 23  o 23.950  0.4776 -2.122000      0.9552000 
1 1 1 4  23 24  o 24.490  0.4765 0.2895000      0.9531000 
1 1 1 4  23 25  o 22.960  0.4829 0.2128000      0.9657000 
1 1 1 4  23 26  f 20.540  0.4811 -0.2831000E-02 0.9621000 
1 1 1 4  23 27  o 10.280  0.7940 1.351000       1.588000  
1 1 1 4  23 28  o 14.050  0.5912 0.8677000      1.182000  
1 1 1 4  23 29  o 13.240  0.6087 0.4362000      1.217000  
1 1 1 4  23 30  o 18.680  0.5044 -0.8364000     1.009000  
1 1 1 4  23 31  o 12.630  0.6176 0.9779000      1.235000  
1 1 1 4  23 32  o 11.160  0.6898 0.1725000      1.380000  
1 1 1 4  23 33  o 9.0040  0.8998 -2.455000      1.800000  
1 1 1 4  23 34  o 13.290  0.6143 -1.579000      1.229000  
1 1 1 4  23 35  o 10.700  0.7337 1.298000       1.467000  
1 1 1 4  23 36  o 9.5610  0.9105 0.4829000      1.821000  
1 1 1 4  23 37  o 8.0410  1.0990 -0.4736000     2.197000  
1 1 1 4  23 38  o 14.230  0.6733 1.359000       1.347000  
1 1 1 4  23 39  o 4.9530  1.3010 -1.282000      2.603000  
1 1 1 4  23 40  o 8.9660  1.0530 -0.6150000     2.107000  
1 1 1 4  23 41  o 5.3280  1.2990 2.505000       2.598000  
1 1 1 4  23 42  o 5.0810  1.3530 0.7544000      2.705000  
1 1 1 4  23 43  o 5.3680  1.3930 0.2799000      2.786000  
1 1 1 4  23 44  f 30.210  0.6591 -1.033000      1.318000  
1 1 1 4  23 45  f 6.0260  1.2570 4.858000       2.515000  
1 1 1 4  23 46  o 13.610  0.8327 -1.006000      1.665000  
1 1 1 4  23 47  o 3.7920  1.2120 0.3868000      2.424000  
1 1 1 4  23 48  o 16.590  0.7426 0.9407000      1.485000  
1 1 1 4  23 49  o 4.4300  1.2980 1.257000       2.597000  
1 1 1 4  23 50  o 13.790  0.8229 1.659000       1.646000  
1 1 1 4  23 51  o 3.5490  1.1640 0.4811000      2.329000  
1 1 1 4  23 52  o 5.8410  1.4620 0.1781000      2.924000  
1 1 1 4  23 53  o 5.4870  1.4560 -0.7120000     2.912000  
1 1 1 4  23 54  o 5.0880  1.4310 0.6788000      2.861000  
1 1 1 4  23 55  o 4.5550  1.3580 -1.088000      2.716000  
1 1 1 4  23 56  o 4.1090  1.2910 -0.2885000     2.582000  
1 1 1 4  23 57  o 4.6170  1.3500 1.245000       2.700000  
1 1 1 4  23 58  o 6.6000  1.4590 -1.537000      2.917000  
1 1 1 4  23 59  o 5.7790  1.4990 -1.159000      2.999000  
1 1 1 4  23 60  o 6.3000  1.4990 1.190000       2.997000  
1 1 1 4  23 61  o 4.2050  1.3030 -1.587000      2.607000  
1 1 1 4  23 62  o 3.9860  1.2780 0.6386000      2.557000  
1 1 1 4  23 63  o 5.3260  1.3800 3.204000       2.761000  
1 1 1 4  23 64  o 3.9140  1.2480 0.8282000      2.497000  
1 1 1 4  23 65  o 7.9290  1.3260 3.060000       2.651000  
1 1 1 4  23 66  o 4.1300  1.3060 -0.2332000     2.612000  
1 1 1 4  23 67  o 4.8420  1.4110 -0.7869000     2.822000  
1 1 1 4  23 68  o 4.5670  1.3260 1.762000       2.652000  
1 1 1 4  23 69  o 5.0940  1.4400 0.5014000      2.880000  
1 1 1 4  23 70  o 3.6360  1.1970 0.3763000E-01  2.395000  
1 1 1 4  23 71  o 3.3720  1.1330 -0.4528000     2.267000  
1 1 1 4  23 72  o 4.2250  1.4790 0.2396000E-01  2.959000  
1 1 1 4  24 0   o 46.180  0.9505 0.000000       0.000000  
1 1 1 4  24 1   o 31.840  0.5971 -6.534000      1.194000  
1 1 1 4  24 2   o 9.8640  1.0600 6.468000       2.120000  
1 1 1 4  24 3   o 15.820  0.4894 0.5876000      0.9789000 
1 1 1 4  24 4   o 19.730  0.4613 0.1642000      0.9227000 
1 1 1 4  24 5   f 18.490  0.4577 -0.1036000     0.9154000 
1 1 1 4  24 6   o 11.510  0.5942 -0.2711000     1.188000  
1 1 1 4  24 7   o 10.600  0.6967 -0.4576000E-01 1.393000  
1 1 1 4  24 8   o 16.740  0.4753 -0.2415000     0.9507000 
1 1 1 4  24 9   f 10.350  0.6843 0.4312000      1.369000  
1 1 1 4  24 10  o 4.7410  1.0990 -1.736000      2.198000  
1 1 1 4  24 11  o 9.0800  0.7669 -0.1183000     1.534000  
1 1 1 4  24 12  f 15.920  0.4999 -0.4987000     0.9998000 
1 1 1 4  24 13  o 18.390  0.6446 -3.370000      1.289000  
1 1 1 4  24 14  o 39.420  0.5970 0.6334000      1.194000  
1 1 1 4  24 15  o 21.370  0.6937 14.15000       1.387000  
1 1 1 4  24 16  o 13.810  0.5851 -1.428000      1.170000  
1 1 1 4  24 17  o 28.520  0.4941 -0.9919000E-01 0.9882000 
1 1 1 4  24 18  o 21.550  0.6202 -2.072000      1.240000  
1 1 1 4  24 19  o 34.220  0.5455 -0.2218000     1.091000  
1 1 1 4  24 20  o 21.510  0.5225 -4.062000      1.045000  
1 1 1 4  24 21  o 19.930  0.4908 -0.3065000     0.9815000 
1 1 1 4  24 22  o 22.330  0.4823 0.1215000      0.9645000 
1 1 1 4  24 23  o 9.4920  0.8409 -4.328000      1.682000  
1 1 1 4  24 24  o 22.950  0.4872 -1.764000      0.9744000 
1 1 1 4  24 25  o 38.590  0.5982 -0.3550000     1.196000  
1 1 1 4  24 26  o 14.990  0.8128 -10.33000      1.626000  
1 1 1 4  24 27  o 9.2860  0.8010 0.8200000      1.602000  
1 1 1 4  24 28  o 11.260  0.6961 0.2854000      1.392000  
1 1 1 4  24 29  o 14.940  0.5639 0.3564000E-01  1.128000  
1 1 1 4  24 30  o 5.1180  1.1090 -3.006000      2.219000  
1 1 1 4  24 31  o 6.3410  1.1500 0.3903000      2.301000  
1 1 1 4  24 32  o 4.7660  1.1910 0.5819000      2.382000  
1 1 1 4  24 33  o 16.550  0.5352 0.3647000      1.070000  
1 1 1 4  24 34  o 6.5270  1.0800 -0.5088000     2.160000  
1 1 1 4  24 35  o 4.1210  1.1080 1.865000       2.216000  
1 1 1 4  24 36  o 7.1220  1.0350 -1.100000      2.070000  
1 1 1 4  24 37  o 12.220  0.7486 -1.678000      1.497000  
1 1 1 4  24 38  o 8.1760  1.1080 4.593000       2.216000  
1 1 1 4  24 39  o 8.3290  1.0640 0.7253000      2.128000  
1 1 1 4  24 40  o 19.880  0.6490 -0.7188000     1.298000  
1 1 1 4  24 41  o 10.340  1.0540 0.9653000      2.108000  
1 1 1 4  24 42  f 11.430  0.9247 -1.096000      1.849000  
1 1 1 4  24 43  o 5.2620  1.3740 0.4757000      2.748000  
1 1 1 4  24 44  o 7.2680  1.3010 2.034000       2.602000  
1 1 1 4  24 45  o 7.0690  1.3160 -1.095000      2.632000  
1 1 1 4  24 46  o 11.590  0.9197 -0.2525000     1.839000  
1 1 1 4  24 47  o 10.100  1.0660 -0.5841000     2.133000  
1 1 1 4  24 48  o 5.3300  1.3780 1.953000       2.756000  
1 1 1 4  24 49  o 4.6460  1.3540 -1.560000      2.708000  
1 1 1 4  24 50  o 4.5970  1.3210 -2.208000      2.641000  
1 1 1 4  24 51  o 6.2840  1.4180 1.674000       2.836000  
1 1 1 4  24 52  o 4.3590  1.3270 -0.4317000     2.654000  
1 1 1 4  24 53  o 6.8050  1.3690 -3.444000      2.738000  
1 1 1 4  24 54  o 4.6070  1.3620 0.4959000      2.724000  
1 1 1 4  24 55  o 10.800  1.0600 -0.5247000     2.121000  
1 1 1 4  24 56  o 3.5860  1.1810 -0.1481000     2.362000  
1 1 1 4  24 57  o 5.7410  1.4200 0.9959000      2.840000  
1 1 1 4  24 58  o 5.7190  1.4430 1.450000       2.886000  
1 1 1 4  24 59  o 4.8680  1.4070 -1.074000      2.813000  
1 1 1 4  24 60  f 4.5240  1.3330 -2.230000      2.665000  
1 1 1 4  24 61  o 4.4200  1.3080 1.592000       2.616000  
1 1 1 4  24 62  o 4.3910  1.3320 1.254000       2.665000  
1 1 1 4  24 63  o 4.8480  1.4160 -0.4141000     2.833000  
1 1 1 4  24 64  o 5.8390  1.4590 -0.5586000     2.917000  
1 1 1 4  24 65  o 6.9090  1.4530 -1.056000      2.906000  
1 1 1 4  24 66  o 3.0110  1.0450 -0.3931000     2.091000  
1 1 1 4  24 67  o 3.4030  1.1370 0.3077000E-01  2.275000  
1 1 1 4  24 68  o 4.2660  1.2840 0.1247000      2.567000  
1 1 1 4  24 69  o 4.9400  1.6670 -0.7628000     3.335000  
1 1 1 4  25 0   o 13.410  0.7391 -0.000000      0.000000  
1 1 1 4  25 1   o 13.010  0.5633 -0.3659000E-01 1.127000  
1 1 1 4  25 2   o 11.710  0.5953 -2.247000      1.191000  
1 1 1 4  25 3   o 18.950  0.4653 0.2892000      0.9306000 
1 1 1 4  25 4   o 11.150  0.7229 -0.8348000     1.446000  
1 1 1 4  25 5   o 13.150  0.6365 -0.1368000     1.273000  
1 1 1 4  25 6   o 29.570  0.4947 0.8669000      0.9895000 
1 1 1 4  25 7   o 19.410  0.6543 10.48000       1.309000  
1 1 1 4  25 8   o 10.010  0.6875 0.1125000      1.375000  
1 1 1 4  25 9   o 15.990  0.5033 -0.3014000     1.007000  
1 1 1 4  25 10  o 18.870  0.4727 0.9438000      0.9455000 
1 1 1 4  25 11  o 11.120  0.7251 2.253000       1.450000  
1 1 1 4  25 12  o 14.560  0.5396 -0.3074000     1.079000  
1 1 1 4  25 13  o 23.890  0.4646 -0.6102000E-01 0.9292000 
1 1 1 4  25 14  o 23.820  0.5115 -2.008000      1.023000  
1 1 1 4  25 15  o 21.020  0.5123 -2.006000      1.025000  
1 1 1 4  25 16  o 18.310  0.4901 -0.8424000E-01 0.9802000 
1 1 1 4  25 17  o 9.5120  0.8117 -3.877000      1.623000  
1 1 1 4  25 18  o 16.280  0.5166 -0.7595000     1.033000  
1 1 1 4  25 19  o 18.980  0.4860 -0.3268000     0.9720000 
1 1 1 4  25 20  o 11.250  0.7456 -3.134000      1.491000  
1 1 1 4  25 21  o 14.520  0.5552 -0.4610000     1.110000  
1 1 1 4  25 22  o 10.570  0.7053 -0.4560000     1.411000  
1 1 1 4  25 23  o 5.5630  1.1190 -2.351000      2.237000  
1 1 1 4  25 24  o 11.600  0.6572 -0.7193000     1.314000  
1 1 1 4  25 25  o 5.3550  1.2070 0.3688000      2.414000  
1 1 1 4  25 26  o 16.440  0.5143 0.3601000E-01  1.029000  
1 1 1 4  25 27  o 12.540  0.6433 -0.5758000     1.287000  
1 1 1 4  25 28  o 8.9920  0.8379 1.672000       1.676000  
1 1 1 4  25 29  o 9.6580  0.7868 -1.351000      1.574000  
1 1 1 4  25 30  o 14.950  0.5568 0.3294000      1.114000  
1 1 1 4  25 31  o 5.5820  1.1750 -1.225000      2.350000  
1 1 1 4  25 32  o 5.7400  1.1670 1.036000       2.333000  
1 1 1 4  25 33  o 4.5850  1.2180 0.3961000      2.435000  
1 1 1 4  25 34  o 9.0640  0.8610 0.5100000      1.722000  
1 1 1 4  25 35  o 11.360  0.7069 -1.223000      1.414000  
1 1 1 4  25 36  o 6.2760  1.1540 -0.6404000     2.309000  
1 1 1 4  25 37  o 5.4750  1.0860 3.434000       2.173000  
1 1 1 4  25 38  o 4.7370  1.2820 -1.133000      2.564000  
1 1 1 4  25 39  o 5.7610  1.2760 -1.997000      2.552000  
1 1 1 4  25 40  o 9.3030  1.0100 1.012000       2.020000  
1 1 1 4  25 41  o 10.240  1.0350 -3.154000      2.071000  
1 1 1 4  25 42  o 9.1090  1.1110 -0.8648000     2.222000  
1 1 1 4  25 43  o 8.3100  1.2140 -0.9879000     2.428000  
1 1 1 4  25 44  o 7.4410  1.3050 -1.250000      2.610000  
1 1 1 4  25 45  o 5.0980  1.3010 -2.684000      2.603000  
1 1 1 4  25 46  f 6.1220  1.3820 1.681000       2.763000  
1 1 1 4  25 47  o 6.7930  1.4010 2.018000       2.802000  
1 1 1 4  25 48  o 3.5180  1.1670 -0.7301000E-01 2.334000  
1 1 1 4  25 49  o 4.3980  1.3260 -0.5594000     2.652000  
1 1 1 4  25 50  o 4.2610  1.2800 1.381000       2.561000  
1 1 1 4  25 51  o 3.7710  1.2170 -0.7181000     2.434000  
1 1 1 4  25 52  o 4.0780  1.2780 -0.3095000     2.557000  
1 1 1 4  25 53  o 6.7890  1.4550 0.4274000      2.911000  
1 1 1 4  25 54  o 9.6370  1.2510 0.3867000      2.502000  
1 1 1 4  25 55  o 6.5310  1.4470 2.419000       2.894000  
1 1 1 4  25 56  o 4.7520  1.3630 1.556000       2.726000  
1 1 1 4  25 57  o 4.4580  1.2930 1.702000       2.586000  
1 1 1 4  25 58  o 5.1650  1.3770 -1.016000      2.754000  
1 1 1 4  25 59  o 7.1000  1.4160 -1.762000      2.832000  
1 1 1 4  25 60  o 4.0170  1.2810 0.2976000      2.561000  
1 1 1 4  25 61  o 3.6750  1.2050 -0.5185000     2.410000  
1 1 1 4  25 62  o 3.5110  1.1540 1.371000       2.308000  
1 1 1 4  25 63  o 3.4850  1.1560 0.9245000E-01  2.313000  
1 1 1 4  25 64  o 3.6620  1.1880 0.1241000      2.377000  
1 1 1 4  25 65  o 3.6950  1.2040 -0.6427000     2.408000  
1 1 1 4  26 0   o 9.1960  1.0930 -0.000000      0.000000  
1 1 1 4  26 1   o 6.9430  0.9840 1.063000       1.968000  
1 1 1 4  26 2   o 7.5290  0.8936 -0.2874000     1.787000  
1 1 1 4  26 3   o 17.770  0.4925 -0.1144000E-01 0.9849000 
1 1 1 4  26 4   o 15.040  0.5613 2.372000       1.123000  
1 1 1 4  26 5   o 23.120  0.4684 1.269000       0.9367000 
1 1 1 4  26 6   o 20.030  0.4848 -1.224000      0.9696000 
1 1 1 4  26 7   o 12.580  0.5781 0.4575000      1.156000  
1 1 1 4  26 8   o 13.120  0.5690 0.1308000      1.138000  
1 1 1 4  26 9   o 8.6720  0.8234 0.5808000      1.647000  
1 1 1 4  26 10  o 9.9490  0.7095 0.2811000      1.419000  
1 1 1 4  26 11  o 7.1050  0.9694 -5.097000      1.939000  
1 1 1 4  26 12  o 16.460  0.5096 -0.8577000     1.019000  
1 1 1 4  26 13  o 13.230  0.6856 -4.200000      1.371000  
1 1 1 4  26 14  o 7.3180  1.0030 -1.486000      2.007000  
1 1 1 4  26 15  o 14.980  0.5228 -1.086000      1.046000  
1 1 1 4  26 16  o 19.590  0.4896 0.7117000      0.9791000 
1 1 1 4  26 17  o 24.330  0.4843 -2.032000      0.9685000 
1 1 1 4  26 18  o 15.740  0.5357 0.3515000      1.071000  
1 1 1 4  26 19  o 16.080  0.5127 -0.9323000     1.025000  
1 1 1 4  26 20  o 8.8080  0.8493 -0.1506000     1.699000  
1 1 1 4  26 21  f 4.7650  1.1610 0.8534000      2.322000  
1 1 1 4  26 22  o 9.3320  0.8061 -0.7779000E-01 1.612000  
1 1 1 4  26 23  o 8.7370  0.8405 -0.1036000     1.681000  
1 1 1 4  26 24  o 5.1640  1.1940 0.1043000      2.388000  
1 1 1 4  26 25  o 16.780  0.5210 -1.356000      1.042000  
1 1 1 4  26 26  o 8.4000  0.9504 0.8250000      1.901000  
1 1 1 4  26 27  o 9.1540  0.8331 0.1792000      1.666000  
1 1 1 4  26 28  o 9.0710  0.8196 -0.2758000     1.639000  
1 1 1 4  26 29  o 3.7400  1.1200 0.6038000      2.240000  
1 1 1 4  26 30  o 6.0200  1.1750 -0.3418000     2.349000  
1 1 1 4  26 31  o 12.480  0.6309 0.8977000E-01  1.262000  
1 1 1 4  26 32  o 4.3430  1.1650 0.3413000E-01  2.329000  
1 1 1 4  26 33  o 5.3590  1.1720 -2.390000      2.345000  
1 1 1 4  26 34  o 4.5530  1.1290 2.335000       2.258000  
1 1 1 4  26 35  o 4.1800  1.1200 -1.958000      2.240000  
1 1 1 4  26 36  o 5.0430  1.2050 0.4228000      2.411000  
1 1 1 4  26 37  o 8.2400  0.9369 1.177000       1.874000  
1 1 1 4  26 38  o 8.4290  0.9215 -0.6166000     1.843000  
1 1 1 4  26 39  o 4.7570  1.2570 -0.2284000     2.515000  
1 1 1 4  26 40  o 4.0810  1.1650 1.266000       2.329000  
1 1 1 4  26 41  o 6.1040  1.3050 0.2872000      2.610000  
1 1 1 4  26 42  f 5.6660  1.3950 1.026000       2.791000  
1 1 1 4  26 43  o 8.5480  1.2450 0.3237000      2.490000  
1 1 1 4  26 44  o 6.8360  1.3450 -3.341000      2.690000  
1 1 1 4  26 45  o 4.8700  1.3530 1.108000       2.707000  
1 1 1 4  26 46  o 4.1440  1.2740 -0.9903000     2.549000  
1 1 1 4  26 47  f 5.3100  1.3620 1.560000       2.723000  
1 1 1 4  26 48  o 4.3690  1.3070 -1.165000      2.615000  
1 1 1 4  26 49  o 6.1020  1.4190 -1.925000      2.837000  
1 1 1 4  26 50  o 4.7670  1.3450 1.488000       2.690000  
1 1 1 4  26 51  o 5.1770  1.3870 -2.137000      2.774000  
1 1 1 4  26 52  o 12.050  0.9801 -2.573000      1.960000  
1 1 1 4  26 53  o 6.1460  1.4620 0.5332000      2.924000  
1 1 1 4  26 54  o 3.7040  1.2020 0.4068000      2.405000  
1 1 1 4  26 55  o 5.3400  1.3030 -3.609000      2.606000  
1 1 1 4  26 56  f 5.4500  1.4270 -1.416000      2.854000  
1 1 1 4  26 57  o 3.7590  1.2210 -0.1308000     2.442000  
1 1 1 4  26 58  o 3.6250  1.1750 0.1862000      2.350000  
1 1 1 4  26 59  o 3.1850  1.0800 -0.4521000     2.160000  
1 1 1 4  26 60  o 2.8880  1.0010 0.2244000E-01  2.002000  
1 1 1 4  26 61  o 4.1660  1.2780 1.224000       2.555000  
1 1 1 4  26 62  o 3.2870  1.6660 ?              ?         
1 1 1 4  27 0   o 20.650  0.6669 0.000000       0.000000  
1 1 1 4  27 1   o 13.300  0.5881 -1.216000      1.176000  
1 1 1 4  27 2   o 8.1940  0.8772 0.3102000      1.754000  
1 1 1 4  27 3   o 11.840  0.6141 -1.727000      1.228000  
1 1 1 4  27 4   o 12.890  0.5872 -0.8185000     1.174000  
1 1 1 4  27 5   o 11.510  0.6322 -1.886000      1.264000  
1 1 1 4  27 6   o 12.570  0.5987 0.7777000      1.197000  
1 1 1 4  27 7   o 8.2340  0.8565 -0.8422000     1.713000  
1 1 1 4  27 8   o 6.3060  1.0720 0.2332000E-01  2.143000  
1 1 1 4  27 9   o 12.060  0.6217 0.6634000      1.243000  
1 1 1 4  27 10  o 7.1690  1.0380 3.031000       2.075000  
1 1 1 4  27 11  f 13.550  0.5544 -0.2385000     1.109000  
1 1 1 4  27 12  o 11.330  0.6382 -0.8147000     1.276000  
1 1 1 4  27 13  o 10.150  0.8081 -1.592000      1.616000  
1 1 1 4  27 14  o 8.8870  0.8181 2.314000       1.636000  
1 1 1 4  27 15  o 13.740  0.5631 0.4753000      1.126000  
1 1 1 4  27 16  o 15.070  0.5354 1.525000       1.071000  
1 1 1 4  27 17  o 14.010  0.5556 -0.8672000     1.111000  
1 1 1 4  27 18  o 9.6160  0.7886 -0.8430000     1.577000  
1 1 1 4  27 19  o 11.890  0.6313 -0.8050000     1.263000  
1 1 1 4  27 20  o 12.910  0.6106 0.1940000      1.221000  
1 1 1 4  27 21  o 5.4400  1.0840 -3.072000      2.168000  
1 1 1 4  27 22  o 10.110  0.7369 0.9984000      1.474000  
1 1 1 4  27 23  o 16.270  0.5250 0.4607000      1.050000  
1 1 1 4  27 24  o 10.890  0.7827 -2.895000      1.565000  
1 1 1 4  27 25  o 4.4140  1.1690 -1.575000      2.337000  
1 1 1 4  27 26  o 3.7540  1.1170 0.2875000      2.234000  
1 1 1 4  27 27  o 5.8470  1.1260 -2.189000      2.252000  
1 1 1 4  27 28  o 11.730  0.6663 1.340000       1.333000  
1 1 1 4  27 29  o 10.300  0.7592 0.1694000      1.518000  
1 1 1 4  27 30  o 16.320  0.5472 -0.1253000     1.094000  
1 1 1 4  27 31  o 18.520  0.5129 0.8340000      1.026000  
1 1 1 4  27 32  o 11.340  0.6963 0.3415000      1.393000  
1 1 1 4  27 33  o 6.1290  1.1780 -1.534000      2.357000  
1 1 1 4  27 34  f 8.7400  0.9028 0.9306000      1.806000  
1 1 1 4  27 35  o 4.8170  1.2090 -1.195000      2.419000  
1 1 1 4  27 36  o 7.3760  1.0550 -2.704000      2.110000  
1 1 1 4  27 37  o 4.3730  1.1650 -1.799000      2.330000  
1 1 1 4  27 38  o 3.8240  1.1420 0.5169000      2.284000  
1 1 1 4  27 39  o 4.0280  1.1290 -1.126000      2.258000  
1 1 1 4  27 40  o 7.4720  1.1800 0.7676000      2.360000  
1 1 1 4  27 41  o 3.5230  1.1220 0.2531000      2.245000  
1 1 1 4  27 42  o 6.8730  1.2770 -1.008000      2.553000  
1 1 1 4  27 43  o 4.0550  1.2570 -0.2996000     2.514000  
1 1 1 4  27 44  o 5.0640  1.3860 -0.9445000     2.771000  
1 1 1 4  27 45  o 4.4500  1.3250 0.5590000      2.649000  
1 1 1 4  27 46  o 5.2420  1.4160 -0.8512000     2.833000  
1 1 1 4  27 47  o 4.5610  1.3400 0.5819000      2.680000  
1 1 1 4  27 48  f 4.9070  1.2870 -2.864000      2.574000  
1 1 1 4  27 49  o 4.3860  1.2960 -0.1507000     2.591000  
1 1 1 4  27 50  o 3.8850  1.2100 -0.7713000     2.420000  
1 1 1 4  27 51  o 3.7750  1.2010 -0.7186000E-01 2.403000  
1 1 1 4  27 52  o 7.1650  1.3470 2.792000       2.694000  
1 1 1 4  27 53  o 4.2890  1.2990 0.2502000      2.599000  
1 1 1 4  27 54  o 4.3670  1.2850 1.815000       2.570000  
1 1 1 4  27 55  o 7.0440  1.3690 1.862000       2.737000  
1 1 1 4  27 56  o 3.2880  1.1050 -0.7276000     2.210000  
1 1 1 4  27 57  o 4.0800  1.8030 ?              ?         
1 1 1 4  28 0   o 9.7150  1.1110 -0.000000      0.000000  
1 1 1 4  28 1   o 8.3920  0.9055 -2.154000      1.811000  
1 1 1 4  28 2   o 12.060  0.6303 2.205000       1.261000  
1 1 1 4  28 3   o 14.300  0.5453 -0.7550000     1.091000  
1 1 1 4  28 4   o 10.460  0.7271 -1.818000      1.454000  
1 1 1 4  28 5   f 5.9150  1.1510 0.2303000      2.303000  
1 1 1 4  28 6   o 10.390  0.6879 0.2382000      1.376000  
1 1 1 4  28 7   o 13.270  0.5896 0.5563000      1.179000  
1 1 1 4  28 8   o 13.190  0.6042 1.720000       1.208000  
1 1 1 4  28 9   o 11.480  0.6475 0.8223000      1.295000  
1 1 1 4  28 10  o 8.0020  0.9117 0.5055000      1.823000  
1 1 1 4  28 11  o 9.1740  0.7984 -2.140000      1.597000  
1 1 1 4  28 12  o 8.1490  0.8691 0.2741000      1.738000  
1 1 1 4  28 13  o 5.7590  1.1520 0.4812000      2.303000  
1 1 1 4  28 14  o 7.7370  0.9292 1.675000       1.858000  
1 1 1 4  28 15  o 10.980  0.7062 1.002000       1.412000  
1 1 1 4  28 16  o 7.5500  0.9797 -0.2568000     1.959000  
1 1 1 4  28 17  o 7.3450  0.9615 0.3127000      1.923000  
1 1 1 4  28 18  o 8.3650  0.8966 0.1354000      1.793000  
1 1 1 4  28 19  o 10.290  0.7480 -1.074000      1.496000  
1 1 1 4  28 20  o 13.360  0.6072 -1.719000      1.214000  
1 1 1 4  28 21  o 14.590  0.5698 -0.7398000     1.140000  
1 1 1 4  28 22  o 11.080  0.6939 -0.1629000     1.388000  
1 1 1 4  28 23  o 8.9930  0.8902 -0.4939000     1.780000  
1 1 1 4  28 24  o 8.1680  0.9518 -1.165000      1.904000  
1 1 1 4  28 25  o 6.3990  1.1270 -0.9272000     2.254000  
1 1 1 4  28 26  o 13.660  0.6099 -0.8712000     1.220000  
1 1 1 4  28 27  o 11.820  0.6891 -1.624000      1.378000  
1 1 1 4  28 28  o 15.880  0.5723 -0.3803000     1.145000  
1 1 1 4  28 29  o 7.5660  1.0650 -1.808000      2.130000  
1 1 1 4  28 30  o 3.6350  1.1050 -0.3834000     2.209000  
1 1 1 4  28 31  o 13.610  0.6274 0.8358000      1.255000  
1 1 1 4  28 32  o 5.5770  1.2090 -1.293000      2.418000  
1 1 1 4  28 33  f 3.8880  1.1320 -0.4778000     2.264000  
1 1 1 4  28 34  o 3.2690  1.0470 0.1809000      2.095000  
1 1 1 4  28 35  o 6.2680  1.1390 2.779000       2.279000  
1 1 1 4  28 36  o 6.5580  1.1450 -1.415000      2.290000  
1 1 1 4  28 37  o 9.3790  0.8916 -0.9971000     1.783000  
1 1 1 4  28 38  o 9.5410  0.8769 0.3817000      1.754000  
1 1 1 4  28 39  o 4.1910  1.1640 -1.306000      2.328000  
1 1 1 4  28 40  o 4.4390  1.2470 -1.065000      2.494000  
1 1 1 4  28 41  o 4.9580  1.2960 -1.015000      2.593000  
1 1 1 4  28 42  o 4.9840  1.2950 -1.395000      2.589000  
1 1 1 4  28 43  o 4.8710  1.3600 0.2393000      2.720000  
1 1 1 4  28 44  o 4.4650  1.3050 -0.8814000     2.609000  
1 1 1 4  28 45  o 6.1270  1.3930 -0.4873000     2.785000  
1 1 1 4  28 46  o 3.5980  1.1640 -1.050000      2.329000  
1 1 1 4  28 47  o 3.5670  1.1620 0.5117000      2.324000  
1 1 1 4  28 48  o 6.6550  1.4030 1.078000       2.805000  
1 1 1 4  28 49  o 4.2260  1.2960 0.4296000      2.592000  
1 1 1 4  28 50  o 4.9990  1.4060 0.2794000      2.812000  
1 1 1 4  28 51  o 4.9160  1.4000 0.4532000E-01  2.800000  
1 1 1 4  28 52  o 3.7940  1.2480 -0.7672000     2.496000  
1 1 1 4  28 53  o 3.5170  1.7950 ?              ?         
1 1 1 4  29 0   o 4.7920  2.0090 -0.000000      0.000000  
1 1 1 4  29 1   o 5.4970  1.1620 -0.7625000     2.325000  
1 1 1 4  29 2   o 6.2770  1.0750 -2.236000      2.151000  
1 1 1 4  29 3   o 5.5790  1.1600 0.4483000      2.321000  
1 1 1 4  29 4   o 4.7790  1.1460 -1.391000      2.291000  
1 1 1 4  29 5   o 7.3160  0.9723 -0.4699000     1.945000  
1 1 1 4  29 6   f 8.9620  0.8182 0.4630000      1.636000  
1 1 1 4  29 7   o 9.5610  0.7618 -0.1840000     1.524000  
1 1 1 4  29 8   o 8.7350  0.8456 0.3362000      1.691000  
1 1 1 4  29 9   f 12.020  0.6491 1.091000       1.298000  
1 1 1 4  29 10  f 10.230  0.7312 1.038000       1.462000  
1 1 1 4  29 11  o 7.3920  0.9870 -1.122000      1.974000  
1 1 1 4  29 12  o 7.4560  0.9833 0.1026000E-01  1.967000  
1 1 1 4  29 13  o 7.5140  0.9653 -1.604000      1.931000  
1 1 1 4  29 14  o 10.320  0.7279 0.1954000      1.456000  
1 1 1 4  29 15  o 7.4910  1.0440 1.109000       2.088000  
1 1 1 4  29 16  o 5.8230  1.1210 -2.753000      2.241000  
1 1 1 4  29 17  o 6.9160  1.0790 0.1342000      2.158000  
1 1 1 4  29 18  o 4.5940  1.1900 0.7413000      2.380000  
1 1 1 4  29 19  o 4.1750  1.1450 -0.6042000     2.290000  
1 1 1 4  29 20  o 6.0360  1.1600 -0.6972000     2.319000  
1 1 1 4  29 21  o 11.300  0.6900 1.129000       1.380000  
1 1 1 4  29 22  o 4.4600  1.1760 -0.1583000     2.352000  
1 1 1 4  29 23  o 6.1980  1.1400 2.179000       2.279000  
1 1 1 4  29 24  o 11.490  0.7120 0.5742000      1.424000  
1 1 1 4  29 25  o 8.5190  0.9404 -0.5818000     1.881000  
1 1 1 4  29 26  o 4.9790  1.2110 0.6057000      2.422000  
1 1 1 4  29 27  o 5.7350  1.2220 0.5634000      2.443000  
1 1 1 4  29 28  o 6.1340  1.1640 0.6036000      2.327000  
1 1 1 4  29 29  o 9.6300  0.8067 0.9674000      1.613000  
1 1 1 4  29 30  o 5.4980  1.2340 0.5470000      2.469000  
1 1 1 4  29 31  o 8.9390  0.8874 1.743000       1.775000  
1 1 1 4  29 32  o 7.8830  0.9588 0.8408000      1.918000  
1 1 1 4  29 33  o 4.9690  1.2080 1.216000       2.416000  
1 1 1 4  29 34  o 7.1460  1.0890 -2.446000      2.178000  
1 1 1 4  29 35  o 4.8130  1.2080 -1.282000      2.417000  
1 1 1 4  29 36  o 4.3500  1.1890 0.6968000      2.378000  
1 1 1 4  29 37  f 4.4880  1.2140 0.5938000      2.429000  
1 1 1 4  29 38  o 5.8070  1.2090 1.040000       2.417000  
1 1 1 4  29 39  o 5.3750  1.2380 0.4357000E-01  2.477000  
1 1 1 4  29 40  o 4.4590  1.2210 0.9490000      2.443000  
1 1 1 4  29 41  o 10.750  0.9747 0.5674000      1.949000  
1 1 1 4  29 42  o 6.5080  1.3100 1.424000       2.620000  
1 1 1 4  29 43  o 5.6280  1.3480 -0.3991000     2.695000  
1 1 1 4  29 44  o 5.2130  1.3830 -1.213000      2.766000  
1 1 1 4  29 45  o 2.9120  1.0060 -0.4097000     2.013000  
1 1 1 4  29 46  o 6.1180  1.4810 -0.9420000     2.961000  
1 1 1 4  29 47  o 4.2060  1.4600 -0.8809000     2.921000  
1 1 1 4  29 48  o 3.8660  1.9310 ?              ?         
1 1 1 4  30 0   o 3.1690  1.8670 -0.000000      0.000000  
1 1 1 4  30 1   f 5.1220  1.1900 1.229000       2.381000  
1 1 1 4  30 2   f 5.6330  1.1720 -1.144000      2.345000  
1 1 1 4  30 3   o 6.0900  1.1470 -1.464000      2.294000  
1 1 1 4  30 4   o 6.9720  1.0730 0.2104000      2.146000  
1 1 1 4  30 5   o 8.3420  0.8958 -0.7095000     1.792000  
1 1 1 4  30 6   o 6.4620  1.1030 1.386000       2.206000  
1 1 1 4  30 7   o 6.1790  1.1460 1.871000       2.293000  
1 1 1 4  30 8   o 6.0210  1.1720 0.4926000E-01  2.343000  
1 1 1 4  30 9   o 4.0190  1.1500 0.4353000      2.301000  
1 1 1 4  30 10  f 4.1420  1.1650 -0.2440000E-01 2.330000  
1 1 1 4  30 11  o 3.6020  1.0740 -1.217000      2.148000  
1 1 1 4  30 12  o 5.4240  1.1490 -1.801000      2.299000  
1 1 1 4  30 13  o 9.5870  0.7813 0.4592000      1.563000  
1 1 1 4  30 14  o 12.080  0.6645 1.098000       1.329000  
1 1 1 4  30 15  o 13.610  0.6249 -0.9045000     1.250000  
1 1 1 4  30 16  o 8.1670  0.9890 -0.9972000     1.978000  
1 1 1 4  30 17  o 8.9590  0.9078 2.420000       1.816000  
1 1 1 4  30 18  o 6.2330  1.1480 2.825000       2.296000  
1 1 1 4  30 19  o 4.4270  1.1780 -0.7886000     2.357000  
1 1 1 4  30 20  f 4.5900  1.1800 -1.184000      2.360000  
1 1 1 4  30 21  o 11.370  0.7362 -1.125000      1.472000  
1 1 1 4  30 22  o 9.5240  0.8263 0.3280000      1.653000  
1 1 1 4  30 23  o 8.9890  0.8682 -0.3620000     1.736000  
1 1 1 4  30 24  o 4.3340  1.1960 0.4964000      2.391000  
1 1 1 4  30 25  o 3.5310  1.0930 -0.4503000     2.186000  
1 1 1 4  30 26  o 5.1550  1.2100 0.1172000      2.419000  
1 1 1 4  30 27  o 4.6710  1.2040 0.4593000      2.409000  
1 1 1 4  30 28  o 6.1950  1.1770 -0.7872000     2.354000  
1 1 1 4  30 29  o 5.6360  1.1510 -2.127000      2.301000  
1 1 1 4  30 30  o 4.5000  1.1870 -0.3617000     2.373000  
1 1 1 4  30 31  o 3.7520  1.1180 0.3167000      2.236000  
1 1 1 4  30 32  o 4.1050  1.1740 0.5531000      2.348000  
1 1 1 4  30 33  o 3.9670  1.1510 0.6316000      2.303000  
1 1 1 4  30 34  o 5.0210  1.0570 3.801000       2.115000  
1 1 1 4  30 35  f 5.7300  1.2430 0.8961000      2.486000  
1 1 1 4  30 36  o 4.2630  1.0990 -2.971000      2.199000  
1 1 1 4  30 37  o 4.2410  1.1780 1.312000       2.356000  
1 1 1 4  30 38  o 6.6470  1.1430 3.219000       2.287000  
1 1 1 4  30 39  o 3.8680  1.2320 -0.4878000     2.465000  
1 1 1 4  30 40  o 4.8200  1.4660 -0.5300000E-01 2.932000  
1 1 1 4  30 41  o 3.6780  1.3060 -0.5869000     2.612000  
1 1 1 4  31 0   o 4.3360  2.1020 -0.000000      0.000000  
1 1 1 4  31 1   o 5.3680  1.2100 -0.2507000     2.420000  
1 1 1 4  31 2   f 7.0510  1.0570 -0.3501000     2.114000  
1 1 1 4  31 3   o 8.9480  0.8456 -0.7265000     1.691000  
1 1 1 4  31 4   o 5.8860  1.1720 -0.9976000     2.345000  
1 1 1 4  31 5   o 7.1940  1.0800 0.9717000      2.160000  
1 1 1 4  31 6   o 4.5300  1.1940 -0.1741000     2.389000  
1 1 1 4  31 7   o 4.7140  1.1410 2.528000       2.282000  
1 1 1 4  31 8   o 4.6310  1.2020 0.9296000      2.404000  
1 1 1 4  31 9   o 4.8720  1.2070 1.026000       2.413000  
1 1 1 4  31 10  o 5.1760  1.1960 -1.156000      2.392000  
1 1 1 4  31 11  o 5.8770  1.1880 0.1711000      2.376000  
1 1 1 4  31 12  o 5.5370  1.1880 1.303000       2.376000  
1 1 1 4  31 13  o 4.7420  1.2010 -0.1844000     2.402000  
1 1 1 4  31 14  o 5.2000  1.1900 -0.3765000     2.381000  
1 1 1 4  31 15  o 5.9600  1.1750 0.7291000      2.351000  
1 1 1 4  31 16  f 4.3180  1.1840 0.8804000      2.369000  
1 1 1 4  31 17  o 3.4870  1.0880 -0.7013000     2.176000  
1 1 1 4  31 18  o 8.3490  0.9654 -0.6534000     1.931000  
1 1 1 4  31 19  o 7.7130  1.0140 0.8365000      2.028000  
1 1 1 4  31 20  o 5.8430  1.1890 1.057000       2.377000  
1 1 1 4  31 21  o 3.6250  1.0850 1.782000       2.171000  
1 1 1 4  31 22  o 4.6670  1.2270 -0.1457000E-01 2.454000  
1 1 1 4  31 23  o 3.7600  1.1320 -0.2292000     2.264000  
1 1 1 4  31 24  f 3.4250  1.0710 -0.8149000     2.141000  
1 1 1 4  31 25  o 3.6220  1.1180 0.5394000      2.236000  
1 1 1 4  31 26  o 6.1050  1.1790 -1.266000      2.358000  
1 1 1 4  31 27  o 4.1220  1.1570 -0.9625000     2.313000  
1 1 1 4  31 28  f 4.6480  1.1410 2.248000       2.282000  
1 1 1 4  31 29  o 3.7920  1.1390 -0.3760000     2.278000  
1 1 1 4  31 30  o 3.5170  1.0930 -0.6012000     2.187000  
1 1 1 4  31 31  o 4.4260  1.1510 2.159000       2.302000  
1 1 1 4  31 32  o 3.6300  1.2240 -0.1945000     2.447000  
1 1 1 4  31 33  o 3.2110  1.6400 ?              ?         
1 1 1 4  32 0   o 1.8340  1.3030 -0.000000      0.000000  
1 1 1 4  32 1   o 2.7820  0.9372 -0.2665000     1.874000  
1 1 1 4  32 2   o 2.6110  0.8929 -0.3952000     1.786000  
1 1 1 4  32 3   o 3.1720  1.0250 0.1168000      2.050000  
1 1 1 4  32 4   o 5.4270  1.2290 0.3566000      2.459000  
1 1 1 4  32 5   o 5.1900  1.1910 2.568000       2.381000  
1 1 1 4  32 6   o 7.6620  1.0940 1.210000       2.189000  
1 1 1 4  32 7   o 5.6500  1.0570 -4.367000      2.114000  
1 1 1 4  32 8   o 4.2670  1.1760 -0.6988000     2.352000  
1 1 1 4  32 9   f 6.1320  1.1470 -1.913000      2.295000  
1 1 1 4  32 10  o 4.6620  1.2000 -0.2065000     2.401000  
1 1 1 4  32 11  o 4.9590  1.2160 -0.6275000     2.432000  
1 1 1 4  32 12  f 4.2810  1.1810 0.3350000      2.361000  
1 1 1 4  32 13  o 3.5970  1.0940 -0.8777000     2.189000  
1 1 1 4  32 14  o 4.4970  1.2080 0.1791000      2.417000  
1 1 1 4  32 15  o 3.7170  1.1150 1.094000       2.230000  
1 1 1 4  32 16  o 3.1060  1.0200 -0.1282000     2.039000  
1 1 1 4  32 17  o 3.9690  1.1200 -1.704000      2.240000  
1 1 1 4  32 18  o 2.9190  0.9718 -0.1941000     1.944000  
1 1 1 4  32 19  o 3.4290  1.1120 -0.5225000     2.224000  
1 1 1 4  32 20  o 3.6650  1.2380 -0.6633000     2.476000  
1 1 1 4  32 21  o 4.1940  2.0330 ?              ?         
1 1 1 5  0  2   o 3.5470  0.4629 -0.000000      0.000000  
1 1 1 5  0  3   o 15.730  0.6309 0.000000       0.000000  
1 1 1 5  0  13  o 8.3690  0.4209 -0.000000      0.000000  
1 1 1 5  0  14  o 1.9040  1.1480 0.000000       0.000000  
1 1 1 5  0  15  o 86.740  3.4030 0.000000       0.000000  
1 1 1 5  0  16  o 68.730  2.6940 -0.000000      0.000000  
1 1 1 5  0  17  o 9.8930  0.6703 0.000000       0.000000  
1 1 1 5  0  18  o 34.950  1.3900 0.000000       0.000000  
1 1 1 5  0  19  o 54.410  2.1380 0.000000       0.000000  
1 1 1 5  0  20  o 29.480  1.1950 0.000000       0.000000  
1 1 1 5  0  21  o 62.260  2.4460 -0.000000      0.000000  
1 1 1 5  0  22  o 74.370  2.9200 0.000000       0.000000  
1 1 1 5  0  23  o 28.970  1.1880 0.000000       0.000000  
1 1 1 5  0  24  o 43.660  1.7340 0.000000       0.000000  
1 1 1 5  0  25  o 16.380  0.8543 0.000000       0.000000  
1 1 1 5  0  26  o 27.170  1.1450 0.000000       0.000000  
1 1 1 5  0  27  o 92.340  3.6650 -0.000000      0.000000  
1 1 1 5  0  28  o 9.4100  1.0810 0.000000       0.000000  
1 1 1 5  0  93  o 3.7250  2.6640 0.000000       0.000000  
1 1 1 5  0  94  o 3.6690  2.6090 -0.000000      0.000000  
1 1 1 5  0  95  o 3.7800  2.7080 0.000000       0.000000  
1 1 1 5  0  96  o 3.7270  2.6610 0.000000       0.000000  
1 1 1 5  0  97  o 4.8250  3.1720 0.000000       0.000000  
1 1 1 5  0  98  o 3.2430  2.3380 -0.000000      0.000000  
1 1 1 5  0  99  o 2.8930  2.0730 -0.000000      0.000000  
1 1 1 5  0  100 o 3.9120  2.5740 0.000000       0.000000  
1 1 1 5  1  0   o 33.380  1.3110 -0.000000      0.000000  
1 1 1 5  1  1   o 23.070  0.6444 -0.7759000     1.289000  
1 1 1 5  1  2   o 17.240  0.7005 -32.26000      1.401000  
1 1 1 5  1  3   o 37.530  1.4690 -72.80000      2.938000  
1 1 1 5  1  4   o 13.630  0.5904 -23.29000      1.181000  
1 1 1 5  1  5   o 43.930  1.7200 -84.83000      3.439000  
1 1 1 5  1  6   o 53.180  2.0880 -103.3000      4.176000  
1 1 1 5  1  7   o 1.0360  0.5063 ?              ?         
1 1 1 5  1  8   o 1.6070  0.6798 ?              ?         
1 1 1 5  1  9   f 2.3560  0.7712 ?              ?         
1 1 1 5  1  10  o 28.060  1.1030 ?              ?         
1 1 1 5  1  11  o 32.310  1.2680 ?              ?         
1 1 1 5  1  12  o 82.040  2.2660 2.020000       4.531000  
1 1 1 5  1  13  o 30.320  0.8491 0.2748000      1.698000  
1 1 1 5  1  14  o 93.020  2.5800 -4.342000      5.160000  
1 1 1 5  1  15  f 71.450  1.9790 1.163000       3.958000  
1 1 1 5  1  16  o 48.750  1.3520 -0.3757000     2.704000  
1 1 1 5  1  17  o 62.690  1.7350 0.1421000      3.471000  
1 1 1 5  1  18  o 80.210  2.2230 0.8690000      4.447000  
1 1 1 5  1  19  o 12.390  0.5225 0.4233000E-01  1.045000  
1 1 1 5  1  20  o 63.290  1.7550 -0.4437000     3.510000  
1 1 1 5  1  21  f 54.910  1.5260 0.9629000      3.053000  
1 1 1 5  1  22  o 65.710  1.8250 0.3452000      3.650000  
1 1 1 5  1  23  o 67.410  2.6560 ?              ?         
1 1 1 5  1  24  o 67.880  2.6740 ?              ?         
1 1 1 5  1  25  o 48.220  1.9090 ?              ?         
1 1 1 5  1  26  o 34.500  1.3980 ?              ?         
1 1 1 5  1  27  o 22.640  1.0090 ?              ?         
1 1 1 5  1  28  o 45.440  1.8110 ?              ?         
1 1 1 5  1  29  o 8.6960  1.1510 ?              ?         
1 1 1 5  1  30  o 9.1470  1.1480 ?              ?         
1 1 1 5  1  31  o 22.710  1.0500 ?              ?         
1 1 1 5  1  32  o 50.350  2.0180 ?              ?         
1 1 1 5  1  33  o 24.960  1.1310 ?              ?         
1 1 1 5  1  34  o 23.790  1.1140 ?              ?         
1 1 1 5  1  35  o 30.730  1.3190 ?              ?         
1 1 1 5  1  36  o 31.490  1.3520 ?              ?         
1 1 1 5  1  37  o 40.590  1.6790 ?              ?         
1 1 1 5  1  38  o 20.530  1.1370 ?              ?         
1 1 1 5  1  39  f 13.460  1.2590 ?              ?         
1 1 1 5  1  40  o 19.790  1.1480 ?              ?         
1 1 1 5  1  41  o 29.470  1.3280 ?              ?         
1 1 1 5  1  42  f 27.780  1.3220 ?              ?         
1 1 1 5  1  43  o 32.720  1.4640 ?              ?         
1 1 1 5  1  44  o 11.280  1.6450 ?              ?         
1 1 1 5  1  45  o 9.5450  2.0050 ?              ?         
1 1 1 5  1  46  o 8.2660  2.2520 ?              ?         
1 1 1 5  1  47  o 26.190  1.3690 ?              ?         
1 1 1 5  1  48  o 23.060  1.3140 ?              ?         
1 1 1 5  1  49  o 33.560  1.5210 ?              ?         
1 1 1 5  1  50  o 42.610  1.8200 ?              ?         
1 1 1 5  1  51  o 48.560  2.0280 ?              ?         
1 1 1 5  1  52  o 16.260  1.6440 ?              ?         
1 1 1 5  1  53  o 11.000  2.3540 ?              ?         
1 1 1 5  1  54  o 30.130  1.4990 ?              ?         
1 1 1 5  1  55  o 5.2210  2.2870 ?              ?         
1 1 1 5  1  56  o 15.710  1.7240 ?              ?         
1 1 1 5  1  57  o 15.960  1.7580 ?              ?         
1 1 1 5  1  58  o 50.390  2.1300 ?              ?         
1 1 1 5  1  59  o 25.680  1.6190 ?              ?         
1 1 1 5  1  60  o 18.410  1.8750 ?              ?         
1 1 1 5  1  61  o 23.700  1.7030 ?              ?         
1 1 1 5  1  62  o 29.500  1.7080 ?              ?         
1 1 1 5  1  63  o 9.7520  3.0690 ?              ?         
1 1 1 5  1  64  o 34.680  1.8230 ?              ?         
1 1 1 5  1  65  o 9.5340  3.2300 ?              ?         
1 1 1 5  1  66  o 8.1820  3.1690 ?              ?         
1 1 1 5  1  67  o 11.290  3.2410 ?              ?         
1 1 1 5  1  68  o 43.600  2.0640 ?              ?         
1 1 1 5  1  69  o 8.5550  3.2340 ?              ?         
1 1 1 5  1  70  o 15.670  2.6660 ?              ?         
1 1 1 5  1  71  o 8.4510  3.2860 ?              ?         
1 1 1 5  1  72  o 10.420  3.4180 ?              ?         
1 1 1 5  1  73  o 6.9150  3.0430 ?              ?         
1 1 1 5  1  74  o 18.510  2.6300 ?              ?         
1 1 1 5  1  75  o 6.7250  3.0130 ?              ?         
1 1 1 5  1  76  f 7.6750  3.2420 ?              ?         
1 1 1 5  1  77  o 10.830  3.7910 ?              ?         
1 1 1 5  1  78  o 8.1670  3.5170 ?              ?         
1 1 1 5  1  79  o 10.990  3.9120 ?              ?         
1 1 1 5  1  80  o 11.990  3.9520 ?              ?         
1 1 1 5  1  81  o 8.7300  3.6930 ?              ?         
1 1 1 5  1  82  o 9.0330  3.7480 ?              ?         
1 1 1 5  1  83  o 7.2800  3.3130 ?              ?         
1 1 1 5  1  84  o 9.8330  3.8070 ?              ?         
1 1 1 5  1  85  o 7.5650  3.3520 ?              ?         
1 1 1 5  1  86  o 8.7740  3.5260 ?              ?         
1 1 1 5  1  87  o 7.3600  3.3680 ?              ?         
1 1 1 5  1  88  o 6.1870  2.9980 ?              ?         
1 1 1 5  1  89  f 6.5410  3.1190 ?              ?         
1 1 1 5  1  90  o 7.2010  3.3270 ?              ?         
1 1 1 5  1  91  o 6.1220  2.9080 ?              ?         
1 1 1 5  1  92  o 5.4660  2.6720 ?              ?         
1 1 1 5  1  93  o 5.7350  2.7610 ?              ?         
1 1 1 5  1  94  o 5.4730  2.6430 ?              ?         
1 1 1 5  1  95  o 6.8050  3.1380 ?              ?         
1 1 1 5  1  96  o 5.4340  2.6500 ?              ?         
1 1 1 5  1  97  o 5.7520  2.7370 ?              ?         
1 1 1 5  1  98  o 4.6600  2.3130 ?              ?         
1 1 1 5  1  99  o 4.0740  2.0240 ?              ?         
1 1 1 5  1  100 o 3.6340  1.7820 ?              ?         
1 1 1 5  2  0   o 25.300  0.5772 0.000000       0.000000  
1 1 1 5  2  1   o 36.310  0.5441 -0.8882000     1.088000  
1 1 1 5  2  2   o 45.020  0.8803 -4.977000      1.761000  
1 1 1 5  2  3   o 121.300 2.3730 4.045000       4.747000  
1 1 1 5  2  4   o 39.590  0.7736 -1.363000      1.547000  
1 1 1 5  2  5   o 31.710  0.6221 -0.3533000E-01 1.244000  
1 1 1 5  2  6   o 48.870  1.1820 3.617000       2.364000  
1 1 1 5  2  7   o 66.340  1.5910 1.566000       3.182000  
1 1 1 5  2  8   o 95.420  2.2780 -2.056000      4.557000  
1 1 1 5  2  9   o 36.510  0.8784 0.6179000      1.757000  
1 1 1 5  2  10  o 98.560  2.7290 -0.6805000     5.458000  
1 1 1 5  2  11  o 18.960  0.5536 0.3455000      1.107000  
1 1 1 5  2  12  o 47.060  1.3020 0.2640000      2.603000  
1 1 1 5  2  13  o 22.000  0.6359 -0.1513000E-02 1.272000  
1 1 1 5  2  14  o 70.250  1.9450 0.1458000E-01  3.891000  
1 1 1 5  2  15  o 20.270  0.6054 -0.3360000E-01 1.211000  
1 1 1 5  2  16  o 68.940  1.9090 2.252000       3.817000  
1 1 1 5  2  17  o 52.060  1.4440 0.9812000      2.888000  
1 1 1 5  2  18  o 150.200 4.2560 1.555000       8.512000  
1 1 1 5  2  19  o 76.040  2.1100 -0.2317000     4.221000  
1 1 1 5  2  20  f 36.940  1.0410 1.131000       2.082000  
1 1 1 5  2  21  o 83.540  2.3220 0.6320000      4.645000  
1 1 1 5  2  22  o 61.410  1.7080 -0.9372000     3.416000  
1 1 1 5  2  23  o 17.420  0.6174 -0.2603000     1.235000  
1 1 1 5  2  24  o 74.890  2.0910 0.8318000      4.182000  
1 1 1 5  2  25  o 36.760  1.0470 -0.1073000     2.093000  
1 1 1 5  2  26  o 44.640  1.2600 0.6291000      2.520000  
1 1 1 5  2  27  o 42.100  1.1920 0.7395000      2.385000  
1 1 1 5  2  28  o 25.390  0.7863 -0.1388000     1.573000  
1 1 1 5  2  29  o 62.740  1.7660 1.049000       3.533000  
1 1 1 5  2  30  o 13.800  0.6791 -1.398000      1.358000  
1 1 1 5  2  31  o 16.590  0.9593 ?              ?         
1 1 1 5  2  32  o 8.5870  1.3850 ?              ?         
1 1 1 5  2  33  o 40.030  1.6300 ?              ?         
1 1 1 5  2  34  o 49.100  1.9790 ?              ?         
1 1 1 5  2  35  o 25.110  1.1510 ?              ?         
1 1 1 5  2  36  o 24.920  1.1690 ?              ?         
1 1 1 5  2  37  o 21.420  1.0880 ?              ?         
1 1 1 5  2  38  o 17.010  1.1370 ?              ?         
1 1 1 5  2  39  o 19.660  1.1390 ?              ?         
1 1 1 5  2  40  o 35.170  1.5120 ?              ?         
1 1 1 5  2  41  o 22.810  1.2410 ?              ?         
1 1 1 5  2  42  f 33.440  1.4680 ?              ?         
1 1 1 5  2  43  o 12.500  1.4600 ?              ?         
1 1 1 5  2  44  o 6.5750  2.2630 ?              ?         
1 1 1 5  2  45  o 35.390  1.5400 ?              ?         
1 1 1 5  2  46  o 43.990  1.8450 ?              ?         
1 1 1 5  2  47  o 38.030  1.6520 ?              ?         
1 1 1 5  2  48  o 19.240  1.3770 ?              ?         
1 1 1 5  2  49  o 8.5200  2.4560 ?              ?         
1 1 1 5  2  50  o 29.610  1.4860 ?              ?         
1 1 1 5  2  51  o 35.960  1.6230 ?              ?         
1 1 1 5  2  52  o 60.330  2.4600 ?              ?         
1 1 1 5  2  53  o 27.950  1.5180 ?              ?         
1 1 1 5  2  54  f 29.960  1.5010 ?              ?         
1 1 1 5  2  55  o 9.1460  2.6360 ?              ?         
1 1 1 5  2  56  f 15.650  1.8820 ?              ?         
1 1 1 5  2  57  o 8.6820  2.8030 ?              ?         
1 1 1 5  2  58  o 9.6770  2.8680 ?              ?         
1 1 1 5  2  59  o 45.310  1.9760 ?              ?         
1 1 1 5  2  60  f 9.1820  2.9790 ?              ?         
1 1 1 5  2  61  o 27.770  1.6880 ?              ?         
1 1 1 5  2  62  o 26.640  1.7480 ?              ?         
1 1 1 5  2  63  o 20.630  1.9990 ?              ?         
1 1 1 5  2  64  o 10.760  3.2430 ?              ?         
1 1 1 5  2  65  o 44.900  2.1070 ?              ?         
1 1 1 5  2  66  o 46.280  2.1630 ?              ?         
1 1 1 5  2  67  o 8.6660  3.3630 ?              ?         
1 1 1 5  2  68  o 35.330  1.9640 ?              ?         
1 1 1 5  2  69  o 25.780  1.8760 ?              ?         
1 1 1 5  2  70  o 28.830  1.8770 ?              ?         
1 1 1 5  2  71  o 19.880  2.2860 ?              ?         
1 1 1 5  2  72  o 17.330  2.6510 ?              ?         
1 1 1 5  2  73  o 9.0100  3.3780 ?              ?         
1 1 1 5  2  74  o 10.360  3.5060 ?              ?         
1 1 1 5  2  75  o 8.0480  3.3210 ?              ?         
1 1 1 5  2  76  o 15.570  3.0900 ?              ?         
1 1 1 5  2  77  o 14.030  3.4370 ?              ?         
1 1 1 5  2  78  o 10.870  3.6640 ?              ?         
1 1 1 5  2  79  f 8.5520  3.5010 ?              ?         
1 1 1 5  2  80  o 7.4060  3.2750 ?              ?         
1 1 1 5  2  81  o 7.4820  3.3220 ?              ?         
1 1 1 5  2  82  o 9.3810  3.9070 ?              ?         
1 1 1 5  2  83  o 6.0510  2.9520 ?              ?         
1 1 1 5  2  84  o 6.1850  2.9980 ?              ?         
1 1 1 5  2  85  o 6.7630  3.1750 ?              ?         
1 1 1 5  2  86  o 6.3960  3.0440 ?              ?         
1 1 1 5  2  87  o 6.0630  2.9370 ?              ?         
1 1 1 5  2  88  o 8.2010  3.5820 ?              ?         
1 1 1 5  2  89  o 5.8990  2.8740 ?              ?         
1 1 1 5  2  90  o 7.2540  3.3360 ?              ?         
1 1 1 5  2  91  f 5.9340  2.8640 ?              ?         
1 1 1 5  2  92  o 5.6190  2.7430 ?              ?         
1 1 1 5  2  93  o 4.8750  2.4200 ?              ?         
1 1 1 5  2  94  o 5.0610  2.4920 ?              ?         
1 1 1 5  2  95  o 5.6490  2.7080 ?              ?         
1 1 1 5  2  96  o 5.3370  2.6140 ?              ?         
1 1 1 5  2  97  o 4.7070  2.3450 ?              ?         
1 1 1 5  2  98  o 6.2220  2.8900 ?              ?         
1 1 1 5  2  99  o 3.6330  1.8260 ?              ?         
1 1 1 5  3  0   o 13.070  0.2916 -0.000000      0.000000  
1 1 1 5  3  1   o 61.630  0.8478 0.4841000      1.696000  
1 1 1 5  3  2   o 20.380  0.2909 -0.1516000     0.5818000 
1 1 1 5  3  3   o 92.330  1.2680 -1.507000      2.537000  
1 1 1 5  3  4   o 32.010  0.4802 -0.9147000     0.9604000 
1 1 1 5  3  5   o 78.490  1.1640 0.4090000      2.328000  
1 1 1 5  3  6   o 39.660  0.5908 0.2395000      1.182000  
1 1 1 5  3  7   o 89.100  1.4150 0.5777000      2.831000  
1 1 1 5  3  8   o 49.930  0.8885 0.4433000      1.777000  
1 1 1 5  3  9   o 61.890  1.0970 -1.564000      2.193000  
1 1 1 5  3  10  o 49.120  0.8745 -0.7589000     1.749000  
1 1 1 5  3  11  o 34.890  0.6914 -0.4515000     1.383000  
1 1 1 5  3  12  o 75.270  1.8050 0.6843000      3.611000  
1 1 1 5  3  13  o 65.100  1.5530 -1.312000      3.105000  
1 1 1 5  3  14  o 67.850  1.6150 -2.168000      3.230000  
1 1 1 5  3  15  o 9.7690  0.4440 -0.2523000     0.8881000 
1 1 1 5  3  16  o 70.700  1.7140 4.288000       3.428000  
1 1 1 5  3  17  o 68.900  1.6560 1.110000       3.312000  
1 1 1 5  3  18  o 65.730  1.5780 0.2462000      3.155000  
1 1 1 5  3  19  o 43.690  1.0590 0.2999000      2.118000  
1 1 1 5  3  20  f 134.800 3.2790 0.1959000      6.558000  
1 1 1 5  3  21  o 69.300  1.6660 -0.2702000E-01 3.332000  
1 1 1 5  3  22  o 84.920  2.0470 -1.345000      4.094000  
1 1 1 5  3  23  o 57.840  1.3970 0.1994000      2.794000  
1 1 1 5  3  24  o 35.840  0.8842 -0.6940000     1.768000  
1 1 1 5  3  25  o 17.430  0.5633 -1.060000      1.127000  
1 1 1 5  3  26  o 17.660  0.5800 1.069000       1.160000  
1 1 1 5  3  27  f 22.400  0.7213 -0.6362000     1.443000  
1 1 1 5  3  28  o 23.000  0.7389 0.2677000      1.478000  
1 1 1 5  3  29  o 37.370  1.0750 0.7275000      2.149000  
1 1 1 5  3  30  o 12.020  0.7686 -2.201000      1.537000  
1 1 1 5  3  31  o 6.5510  1.1600 -1.515000      2.319000  
1 1 1 5  3  32  f 28.340  0.8664 -0.6917000     1.733000  
1 1 1 5  3  33  f 24.350  0.8005 -0.4167000     1.601000  
1 1 1 5  3  34  o 31.570  0.9569 0.1743000E-01  1.914000  
1 1 1 5  3  35  o 19.330  0.7512 -0.6750000     1.502000  
1 1 1 5  3  36  f 35.490  1.0570 0.2357000      2.114000  
1 1 1 5  3  37  o 12.650  0.8941 -1.164000      1.788000  
1 1 1 5  3  38  o 12.050  1.3130 ?              ?         
1 1 1 5  3  39  o 23.540  1.1630 ?              ?         
1 1 1 5  3  40  o 45.980  1.8910 ?              ?         
1 1 1 5  3  41  o 14.780  1.2810 ?              ?         
1 1 1 5  3  42  o 15.910  1.3740 ?              ?         
1 1 1 5  3  43  o 17.340  1.3240 ?              ?         
1 1 1 5  3  44  o 20.750  1.2490 ?              ?         
1 1 1 5  3  45  o 39.530  1.6720 ?              ?         
1 1 1 5  3  46  o 8.7130  2.3020 ?              ?         
1 1 1 5  3  47  o 17.440  1.4130 ?              ?         
1 1 1 5  3  48  o 46.130  1.9350 ?              ?         
1 1 1 5  3  49  o 44.220  1.8690 ?              ?         
1 1 1 5  3  50  o 9.0100  2.5570 ?              ?         
1 1 1 5  3  51  o 58.960  2.4020 ?              ?         
1 1 1 5  3  52  o 36.390  1.6570 ?              ?         
1 1 1 5  3  53  o 38.610  1.7160 ?              ?         
1 1 1 5  3  54  o 7.7410  2.6040 ?              ?         
1 1 1 5  3  55  o 19.460  1.6960 ?              ?         
1 1 1 5  3  56  o 38.390  1.7300 ?              ?         
1 1 1 5  3  57  o 15.960  1.8660 ?              ?         
1 1 1 5  3  58  o 11.260  2.7220 ?              ?         
1 1 1 5  3  59  o 24.080  1.7020 ?              ?         
1 1 1 5  3  60  o 32.940  1.6850 ?              ?         
1 1 1 5  3  61  o 12.610  2.6440 ?              ?         
1 1 1 5  3  62  o 7.4640  2.9390 ?              ?         
1 1 1 5  3  63  o 19.730  2.1030 ?              ?         
1 1 1 5  3  64  o 7.1750  2.9420 ?              ?         
1 1 1 5  3  65  o 29.520  1.8010 ?              ?         
1 1 1 5  3  66  o 26.870  1.9220 ?              ?         
1 1 1 5  3  67  o 8.9520  3.2780 ?              ?         
1 1 1 5  3  68  o 9.5540  3.3550 ?              ?         
1 1 1 5  3  69  o 25.480  2.0480 ?              ?         
1 1 1 5  3  70  o 16.050  2.9240 ?              ?         
1 1 1 5  3  71  o 17.220  2.6320 ?              ?         
1 1 1 5  3  72  o 9.4110  3.3590 ?              ?         
1 1 1 5  3  73  o 14.880  2.9940 ?              ?         
1 1 1 5  3  74  o 8.5890  3.3640 ?              ?         
1 1 1 5  3  75  o 9.8560  3.4600 ?              ?         
1 1 1 5  3  76  o 11.040  3.6390 ?              ?         
1 1 1 5  3  77  o 8.2100  3.4480 ?              ?         
1 1 1 5  3  78  f 7.7150  3.3660 ?              ?         
1 1 1 5  3  79  o 6.6280  3.0840 ?              ?         
1 1 1 5  3  80  o 7.5510  3.3500 ?              ?         
1 1 1 5  3  81  o 10.370  3.8610 ?              ?         
1 1 1 5  3  82  o 8.5590  3.6460 ?              ?         
1 1 1 5  3  83  o 7.2840  3.3360 ?              ?         
1 1 1 5  3  84  o 9.8030  3.8760 ?              ?         
1 1 1 5  3  85  o 9.0130  3.7680 ?              ?         
1 1 1 5  3  86  f 7.3490  3.3730 ?              ?         
1 1 1 5  3  87  o 6.1010  2.9540 ?              ?         
1 1 1 5  3  88  o 6.2290  2.9890 ?              ?         
1 1 1 5  3  89  o 5.7250  2.8070 ?              ?         
1 1 1 5  3  90  o 5.0260  2.5080 ?              ?         
1 1 1 5  3  91  o 5.9080  2.8280 ?              ?         
1 1 1 5  3  92  f 5.8410  2.7690 ?              ?         
1 1 1 5  3  93  o 7.5230  3.2630 ?              ?         
1 1 1 5  3  94  o 6.1390  2.9060 ?              ?         
1 1 1 5  3  95  o 6.2290  2.0710 2.499000       4.142000  
1 1 1 5  3  96  o 5.4940  1.8870 -1.316000      3.773000  
1 1 1 5  3  97  o 5.8900  1.9910 -2.506000      3.982000  
1 1 1 5  3  98  o 4.7680  1.6640 -0.1024000     3.329000  
1 1 1 5  3  99  o 4.3830  1.4950 0.9596000      2.990000  
1 1 1 5  4  0   o 105.000 2.0360 0.000000       0.000000  
1 1 1 5  4  1   o 40.820  0.5630 -0.3223000E-01 1.126000  
1 1 1 5  4  2   o 49.100  0.6753 -0.4199000     1.351000  
1 1 1 5  4  3   o 77.580  1.0640 -0.7707000     2.128000  
1 1 1 5  4  4   o 36.770  0.5090 0.1133000      1.018000  
1 1 1 5  4  5   o 88.500  1.2150 0.1430000      2.429000  
1 1 1 5  4  6   o 44.440  0.6614 0.3853000      1.323000  
1 1 1 5  4  7   o 72.270  1.0740 0.1531000      2.148000  
1 1 1 5  4  8   o 39.100  0.5851 0.9799000E-01  1.170000  
1 1 1 5  4  9   o 106.600 1.6990 1.630000       3.398000  
1 1 1 5  4  10  o 80.160  1.4240 -0.6349000     2.848000  
1 1 1 5  4  11  o 24.140  0.5689 ?              ?         
1 1 1 5  4  12  o 55.470  0.9865 -0.6878000     1.973000  
1 1 1 5  4  13  o 16.850  0.5156 ?              ?         
1 1 1 5  4  14  o 71.950  1.4040 -0.5713000     2.808000  
1 1 1 5  4  15  o 57.000  1.1150 0.7308000      2.230000  
1 1 1 5  4  16  o 52.370  1.0270 -0.4490000     2.054000  
1 1 1 5  4  17  f 65.850  1.2880 -0.2450000     2.575000  
1 1 1 5  4  18  o 113.800 2.2270 -0.4029000     4.454000  
1 1 1 5  4  19  o 59.730  1.1720 2.239000       2.344000  
1 1 1 5  4  20  o 23.970  0.5224 0.2011000      1.045000  
1 1 1 5  4  21  o 33.770  0.8349 -0.1626000     1.670000  
1 1 1 5  4  22  o 12.930  0.5415 0.6476000      1.083000  
1 1 1 5  4  23  o 45.930  1.1190 0.4467000      2.238000  
1 1 1 5  4  24  o 52.400  1.2650 -1.795000      2.531000  
1 1 1 5  4  25  o 83.050  2.0260 1.100000       4.051000  
1 1 1 5  4  26  f 40.490  0.9958 -0.4235000     1.992000  
1 1 1 5  4  27  o 53.410  1.3000 -0.1894000     2.600000  
1 1 1 5  4  28  o 23.960  0.6718 1.228000       1.344000  
1 1 1 5  4  29  o 9.9190  0.7222 0.3092000      1.444000  
1 1 1 5  4  30  f 43.090  1.0680 0.1464000      2.135000  
1 1 1 5  4  31  f 32.620  0.8379 -0.2495000     1.676000  
1 1 1 5  4  32  o 35.760  0.9031 -1.155000      1.806000  
1 1 1 5  4  33  o 24.550  0.7086 -0.3136000     1.417000  
1 1 1 5  4  34  o 10.430  0.8744 -1.534000      1.749000  
1 1 1 5  4  35  o 23.610  0.7159 -0.5328000     1.432000  
1 1 1 5  4  36  o 27.420  0.7640 -0.1615000     1.528000  
1 1 1 5  4  37  o 37.920  0.9714 -0.5879000     1.943000  
1 1 1 5  4  38  o 15.660  0.7482 1.686000       1.496000  
1 1 1 5  4  39  o 21.300  0.7426 0.2934000      1.485000  
1 1 1 5  4  40  o 8.5820  1.3030 2.088000       2.607000  
1 1 1 5  4  41  o 30.790  0.8737 1.748000       1.747000  
1 1 1 5  4  42  o 26.210  0.8208 2.141000       1.642000  
1 1 1 5  4  43  o 30.260  0.8718 0.3805000      1.744000  
1 1 1 5  4  44  o 14.290  0.9541 0.9937000E-01  1.908000  
1 1 1 5  4  45  o 11.460  1.4250 0.2926000      2.850000  
1 1 1 5  4  46  o 39.990  1.2250 0.5465000      2.449000  
1 1 1 5  4  47  o 12.810  1.4540 1.339000       2.908000  
1 1 1 5  4  48  o 7.2750  1.7730 -0.8363000     3.546000  
1 1 1 5  4  49  o 28.480  1.0410 1.013000       2.083000  
1 1 1 5  4  50  o 11.040  1.6600 -1.346000      3.320000  
1 1 1 5  4  51  o 24.800  1.0780 0.2058000      2.156000  
1 1 1 5  4  52  o 23.930  1.1300 2.254000       2.260000  
1 1 1 5  4  53  o 17.620  1.2800 1.377000       2.560000  
1 1 1 5  4  54  o 11.520  1.7770 7.439000       3.554000  
1 1 1 5  4  55  o 18.070  1.3720 3.134000       2.744000  
1 1 1 5  4  56  o 34.900  1.2310 -0.1746000     2.462000  
1 1 1 5  4  57  o 6.6450  1.9350 -1.063000      3.870000  
1 1 1 5  4  58  o 23.150  1.2200 -1.269000      2.440000  
1 1 1 5  4  59  o 40.090  1.3270 1.628000       2.655000  
1 1 1 5  4  60  o 17.950  1.4090 -1.975000      2.817000  
1 1 1 5  4  61  o 29.280  1.2280 0.4697000      2.455000  
1 1 1 5  4  62  o 7.2650  2.0540 -3.148000      4.108000  
1 1 1 5  4  63  o 13.340  1.9800 0.9559000      3.959000  
1 1 1 5  4  64  o 16.690  1.6620 -0.8511000     3.324000  
1 1 1 5  4  65  o 11.840  2.1970 2.124000       4.395000  
1 1 1 5  4  66  f 19.010  1.6490 1.809000       3.299000  
1 1 1 5  4  67  f 23.340  1.4810 4.130000       2.963000  
1 1 1 5  4  68  o 7.7110  2.2570 -1.784000      4.514000  
1 1 1 5  4  69  o 8.2940  2.3580 -1.449000      4.717000  
1 1 1 5  4  70  o 6.6660  2.1530 0.6525000      4.307000  
1 1 1 5  4  71  o 7.8340  2.3890 -0.2245000     4.779000  
1 1 1 5  4  72  f 14.650  2.3790 -0.1946000E-01 4.758000  
1 1 1 5  4  73  o 11.940  2.6070 -2.951000      5.215000  
1 1 1 5  4  74  o 8.6040  2.4900 0.7172000      4.981000  
1 1 1 5  4  75  o 15.000  2.4950 3.883000       4.991000  
1 1 1 5  4  76  o 7.5830  2.3750 -0.8451000     4.749000  
1 1 1 5  4  77  o 7.7610  2.4400 0.1777000      4.881000  
1 1 1 5  4  78  o 10.390  2.6280 4.996000       5.255000  
1 1 1 5  4  79  o 8.9550  2.5940 1.951000       5.187000  
1 1 1 5  4  80  o 10.570  2.7270 2.968000       5.453000  
1 1 1 5  4  81  o 10.210  2.6320 4.531000       5.265000  
1 1 1 5  4  82  o 8.2020  2.5500 -1.441000      5.100000  
1 1 1 5  4  83  o 8.5630  2.6260 -1.125000      5.252000  
1 1 1 5  4  84  o 8.0910  2.5510 -2.532000      5.102000  
1 1 1 5  4  85  o 6.2950  2.1440 0.9382000      4.288000  
1 1 1 5  4  86  o 8.7690  2.6370 -0.4450000E-01 5.273000  
1 1 1 5  4  87  o 6.1560  2.1070 0.6913000      4.214000  
1 1 1 5  4  88  o 6.7270  2.2710 -0.8875000     4.543000  
1 1 1 5  4  89  o 6.2290  2.1120 1.372000       4.223000  
1 1 1 5  4  90  o 5.5360  1.9250 -0.8181000     3.851000  
1 1 1 5  4  91  o 5.8540  1.9860 1.371000       3.972000  
1 1 1 5  4  92  o 7.4710  2.3860 -1.640000      4.771000  
1 1 1 5  4  93  o 8.3030  2.5050 -3.840000      5.010000  
1 1 1 5  4  94  o 5.5920  1.9450 0.7478000      3.890000  
1 1 1 5  4  95  o 5.6000  1.9410 0.8321000      3.882000  
1 1 1 5  4  96  o 4.7050  1.6740 -0.8954000     3.349000  
1 1 1 5  4  97  o 5.6120  1.9080 -1.115000      3.817000  
1 1 1 5  4  98  o 5.7950  1.8900 0.7765000      3.779000  
1 1 1 5  4  99  o 4.1450  1.4200 -0.8791000     2.839000  
1 1 1 5  5  0   o 41.900  0.8190 -0.000000      0.000000  
1 1 1 5  5  1   f 58.570  0.8047 -0.7853000     1.609000  
1 1 1 5  5  2   o 54.330  0.7472 -0.2524000     1.494000  
1 1 1 5  5  3   f 84.080  1.1550 2.471000       2.311000  
1 1 1 5  5  4   o 57.550  0.7913 -0.7435000     1.583000  
1 1 1 5  5  5   o 55.520  0.7633 0.3709000      1.527000  
1 1 1 5  5  6   o 96.570  1.3290 0.3113000E-02  2.657000  
1 1 1 5  5  7   o 62.320  0.8573 0.8193000      1.715000  
1 1 1 5  5  8   o 37.000  0.5565 -0.6709000     1.113000  
1 1 1 5  5  9   o 51.780  0.7703 1.518000       1.541000  
1 1 1 5  5  10  o 47.770  0.8052 0.9127000      1.610000  
1 1 1 5  5  11  f 87.780  1.3040 0.9897000      2.607000  
1 1 1 5  5  12  o 81.310  1.4450 -0.2584000     2.890000  
1 1 1 5  5  13  o 58.710  1.0440 -1.307000      2.088000  
1 1 1 5  5  14  o 61.340  1.0950 1.067000       2.190000  
1 1 1 5  5  15  o 15.350  0.3623 0.3251000      0.7247000 
1 1 1 5  5  16  o 38.730  0.7031 0.6422000      1.406000  
1 1 1 5  5  17  o 22.890  0.4968 0.2785000      0.9935000 
1 1 1 5  5  18  o 18.580  0.4450 -0.1961000     0.8900000 
1 1 1 5  5  19  o 47.210  0.9332 -0.3549000     1.866000  
1 1 1 5  5  20  o 56.520  1.1110 0.1346000      2.222000  
1 1 1 5  5  21  o 68.430  1.3440 0.8615000      2.688000  
1 1 1 5  5  22  o 32.490  0.6687 -0.4379000     1.337000  
1 1 1 5  5  23  f 42.330  0.8473 -0.6720000     1.695000  
1 1 1 5  5  24  o 25.420  0.5673 0.7274000      1.135000  
1 1 1 5  5  25  o 41.160  0.8308 -0.8695000     1.662000  
1 1 1 5  5  26  o 44.470  0.8919 0.4417000      1.784000  
1 1 1 5  5  27  o 29.140  0.6268 0.7018000      1.254000  
1 1 1 5  5  28  o 23.950  0.5599 0.1482000      1.120000  
1 1 1 5  5  29  o 29.180  0.7608 -0.6873000     1.522000  
1 1 1 5  5  30  o 45.200  1.1080 -2.197000      2.217000  
1 1 1 5  5  31  o 6.7680  1.0810 2.534000       2.162000  
1 1 1 5  5  32  o 20.660  0.6586 1.010000       1.317000  
1 1 1 5  5  33  o 17.290  0.6648 -0.3117000     1.330000  
1 1 1 5  5  34  o 20.100  0.6768 0.3773000      1.354000  
1 1 1 5  5  35  o 14.670  0.7653 -1.861000      1.531000  
1 1 1 5  5  36  o 27.830  0.7723 -1.156000      1.545000  
1 1 1 5  5  37  o 12.000  0.8514 -0.3052000     1.703000  
1 1 1 5  5  38  o 38.640  0.9985 0.3582000      1.997000  
1 1 1 5  5  39  o 19.160  0.7493 0.1488000      1.499000  
1 1 1 5  5  40  o 29.610  0.8382 -0.7872000     1.676000  
1 1 1 5  5  41  o 28.170  0.8353 0.6720000      1.671000  
1 1 1 5  5  42  o 7.9170  1.3630 -2.903000      2.726000  
1 1 1 5  5  43  o 29.400  0.8552 -0.2304000     1.710000  
1 1 1 5  5  44  o 10.270  1.2320 1.680000       2.463000  
1 1 1 5  5  45  o 15.200  0.9683 -0.2945000     1.937000  
1 1 1 5  5  46  o 5.6700  1.5620 0.2536000      3.123000  
1 1 1 5  5  47  o 35.920  0.9907 0.3742000      1.981000  
1 1 1 5  5  48  o 44.580  1.1580 1.343000       2.316000  
1 1 1 5  5  49  o 45.410  1.1770 1.137000       2.354000  
1 1 1 5  5  50  o 22.340  0.9327 -0.7181000     1.865000  
1 1 1 5  5  51  o 31.280  1.1280 0.6374000      2.257000  
1 1 1 5  5  52  o 40.220  1.2760 -0.8897000     2.552000  
1 1 1 5  5  53  o 24.110  1.1850 0.7646000      2.370000  
1 1 1 5  5  54  o 31.630  1.1640 0.2374000      2.328000  
1 1 1 5  5  55  o 43.780  1.3870 -1.171000      2.773000  
1 1 1 5  5  56  o 9.8670  1.9270 3.842000       3.853000  
1 1 1 5  5  57  o 9.6960  2.1230 1.419000       4.247000  
1 1 1 5  5  58  o 49.340  1.5110 -1.238000      3.023000  
1 1 1 5  5  59  f 34.480  1.2730 0.5795000      2.546000  
1 1 1 5  5  60  o 26.110  1.3120 3.818000       2.625000  
1 1 1 5  5  61  o 41.660  1.4100 0.9246000      2.820000  
1 1 1 5  5  62  o 26.680  1.2990 -0.6412000     2.599000  
1 1 1 5  5  63  o 7.7330  2.2020 0.1104000      4.404000  
1 1 1 5  5  64  o 24.800  1.4350 -0.8934000     2.869000  
1 1 1 5  5  65  o 15.760  1.8790 -3.681000      3.759000  
1 1 1 5  5  66  o 8.3980  2.2980 1.215000       4.596000  
1 1 1 5  5  67  f 18.690  1.7940 1.582000       3.587000  
1 1 1 5  5  68  f 8.3640  2.3130 -0.1075000     4.625000  
1 1 1 5  5  69  o 21.970  1.6130 0.1168000      3.226000  
1 1 1 5  5  70  o 9.1490  2.4990 -1.658000      4.999000  
1 1 1 5  5  71  o 25.180  1.6570 2.075000       3.314000  
1 1 1 5  5  72  o 24.780  1.5980 -1.820000      3.196000  
1 1 1 5  5  73  o 10.090  2.4820 -6.096000      4.964000  
1 1 1 5  5  74  o 9.0500  2.4140 4.045000       4.828000  
1 1 1 5  5  75  o 17.060  2.3230 1.198000       4.646000  
1 1 1 5  5  76  o 8.1090  2.4440 -3.753000      4.888000  
1 1 1 5  5  77  o 7.5380  2.3730 -1.529000      4.746000  
1 1 1 5  5  78  o 8.0030  2.4320 0.5872000      4.864000  
1 1 1 5  5  79  o 10.820  2.6410 3.342000       5.281000  
1 1 1 5  5  80  o 9.0030  2.6730 -3.058000      5.345000  
1 1 1 5  5  81  o 9.3960  2.7760 -1.231000      5.553000  
1 1 1 5  5  82  o 7.5040  2.4550 -4.308000      4.910000  
1 1 1 5  5  83  o 8.3460  2.5980 0.9176000      5.196000  
1 1 1 5  5  84  o 9.0810  2.7060 -1.890000      5.412000  
1 1 1 5  5  85  o 7.2350  2.3580 -0.3460000     4.716000  
1 1 1 5  5  86  o 6.9010  2.3010 -1.217000      4.602000  
1 1 1 5  5  87  o 6.7470  2.2450 1.393000       4.490000  
1 1 1 5  5  88  o 7.6480  2.4470 1.538000       4.894000  
1 1 1 5  5  89  o 6.7200  2.2210 0.5516000      4.441000  
1 1 1 5  5  90  o 5.7430  1.9710 -0.1497000     3.942000  
1 1 1 5  5  91  o 6.8160  2.2250 -0.2035000     4.450000  
1 1 1 5  5  92  o 5.7080  1.9660 0.1307000      3.931000  
1 1 1 5  5  93  o 5.5090  1.9190 0.6817000      3.838000  
1 1 1 5  5  94  o 5.6290  1.9550 0.3534000E-01  3.910000  
1 1 1 5  5  95  f 5.2460  1.8400 -0.1026000     3.680000  
1 1 1 5  5  96  o 5.1080  1.7940 -1.442000      3.588000  
1 1 1 5  5  97  o 4.7250  1.6660 -0.1519000     3.332000  
1 1 1 5  5  98  o 4.5460  1.5550 0.9437000      3.110000  
1 1 1 5  5  99  o 3.5910  1.7810 ?              ?         
1 1 1 5  6  0   o 45.610  0.8909 0.000000       0.000000  
1 1 1 5  6  1   o 36.880  0.5114 -0.1893000     1.023000  
1 1 1 5  6  2   o 80.710  1.1090 -0.8709000E-01 2.217000  
1 1 1 5  6  3   o 40.030  0.5546 -0.6987000E-01 1.109000  
1 1 1 5  6  4   o 27.280  0.3871 -0.6376000     0.7741000 
1 1 1 5  6  5   o 63.520  0.8737 0.7517000      1.747000  
1 1 1 5  6  6   f 40.520  0.5627 -0.5332000     1.125000  
1 1 1 5  6  7   o 69.700  0.9580 0.9965000      1.916000  
1 1 1 5  6  8   o 48.170  0.6661 0.7159000      1.332000  
1 1 1 5  6  9   o 30.670  0.4326 0.9056000E-01  0.8651000 
1 1 1 5  6  10  o 23.880  0.4003 -1.750000      0.8006000 
1 1 1 5  6  11  o 35.780  0.5415 -0.8932000     1.083000  
1 1 1 5  6  12  f 39.620  0.5968 0.9102000      1.194000  
1 1 1 5  6  13  o 26.760  0.4161 0.4335000      0.8321000 
1 1 1 5  6  14  o 42.610  0.6863 0.5363000      1.373000  
1 1 1 5  6  15  o 55.460  0.9933 0.1073000      1.987000  
1 1 1 5  6  16  o 89.410  1.5930 -2.212000      3.186000  
1 1 1 5  6  17  o 57.000  1.0210 0.1280000      2.042000  
1 1 1 5  6  18  o 21.560  0.4878 0.3112000      0.9756000 
1 1 1 5  6  19  o 27.970  0.5312 -0.7269000     1.062000  
1 1 1 5  6  20  o 81.270  1.6020 0.7068000      3.203000  
1 1 1 5  6  21  o 13.390  0.4748 0.5141000      0.9496000 
1 1 1 5  6  22  o 9.6720  0.5469 1.691000       1.094000  
1 1 1 5  6  23  f 16.050  0.4683 -0.2164000     0.9366000 
1 1 1 5  6  24  o 57.630  1.1440 3.557000       2.288000  
1 1 1 5  6  25  o 24.140  0.5501 -0.4823000     1.100000  
1 1 1 5  6  26  o 21.190  0.5240 0.3943000      1.048000  
1 1 1 5  6  27  o 30.330  0.6500 0.5903000      1.300000  
1 1 1 5  6  28  f 45.520  0.9151 -0.1311000     1.830000  
1 1 1 5  6  29  o 28.320  0.6246 0.5920000      1.249000  
1 1 1 5  6  30  o 41.680  0.8482 -0.4621000     1.696000  
1 1 1 5  6  31  o 38.200  0.7873 0.7750000      1.575000  
1 1 1 5  6  32  o 37.100  0.7741 -0.1564000     1.548000  
1 1 1 5  6  33  o 19.730  0.5679 0.3878000E-01  1.136000  
1 1 1 5  6  34  o 12.110  0.6961 1.233000       1.392000  
1 1 1 5  6  35  o 26.510  0.6258 -0.8934000     1.252000  
1 1 1 5  6  36  f 14.440  0.7493 0.6383000      1.499000  
1 1 1 5  6  37  o 19.330  0.7144 0.9681000      1.429000  
1 1 1 5  6  38  o 54.320  1.3510 0.8436000      2.702000  
1 1 1 5  6  39  o 34.710  0.9403 2.389000       1.881000  
1 1 1 5  6  40  o 18.610  0.7838 1.535000       1.568000  
1 1 1 5  6  41  o 36.050  0.9610 1.238000       1.922000  
1 1 1 5  6  42  o 5.0130  1.4410 0.9843000      2.881000  
1 1 1 5  6  43  o 29.770  0.8663 -0.5737000E-01 1.733000  
1 1 1 5  6  44  o 20.170  0.8385 0.1125000      1.677000  
1 1 1 5  6  45  o 14.630  0.9821 0.5125000      1.964000  
1 1 1 5  6  46  o 27.160  0.8688 0.3907000      1.738000  
1 1 1 5  6  47  o 26.330  0.8802 -0.1301000     1.760000  
1 1 1 5  6  48  o 31.850  0.9403 -0.9030000     1.881000  
1 1 1 5  6  49  o 36.500  1.0140 -0.1018000     2.028000  
1 1 1 5  6  50  o 22.470  0.9218 2.667000       1.844000  
1 1 1 5  6  51  o 22.630  0.9243 -0.7434000     1.849000  
1 1 1 5  6  52  f 24.380  0.9340 -0.1748000     1.868000  
1 1 1 5  6  53  o 21.570  1.0010 -0.8987000     2.002000  
1 1 1 5  6  54  o 22.960  0.9572 1.292000       1.914000  
1 1 1 5  6  55  f 23.430  1.0170 -0.9095000E-01 2.033000  
1 1 1 5  6  56  o 13.750  1.4210 1.255000       2.842000  
1 1 1 5  6  57  o 8.7950  2.0940 1.908000       4.187000  
1 1 1 5  6  58  o 11.920  2.0560 2.030000       4.113000  
1 1 1 5  6  59  o 39.370  1.3230 0.8890000      2.645000  
1 1 1 5  6  60  o 34.340  1.2860 -0.7471000     2.572000  
1 1 1 5  6  61  o 11.730  2.0310 3.628000       4.061000  
1 1 1 5  6  62  o 35.120  1.3120 2.282000       2.623000  
1 1 1 5  6  63  o 23.480  1.3900 2.665000       2.779000  
1 1 1 5  6  64  o 11.950  2.1040 6.019000       4.207000  
1 1 1 5  6  65  o 9.1310  2.4320 -0.2059000     4.864000  
1 1 1 5  6  66  o 22.290  1.5330 -0.7477000     3.066000  
1 1 1 5  6  67  o 8.2730  2.3450 -0.7743000     4.690000  
1 1 1 5  6  68  o 7.1550  2.2140 0.7926000      4.427000  
1 1 1 5  6  69  o 14.160  2.2890 -0.2105000     4.579000  
1 1 1 5  6  70  o 18.310  2.0030 0.3299000      4.006000  
1 1 1 5  6  71  o 14.580  2.4050 2.875000       4.810000  
1 1 1 5  6  72  o 12.890  2.4700 1.946000       4.939000  
1 1 1 5  6  73  o 9.0040  2.5660 -0.5643000     5.132000  
1 1 1 5  6  74  o 9.2050  2.6300 0.2521000      5.261000  
1 1 1 5  6  75  o 7.4690  2.3870 -0.7220000     4.773000  
1 1 1 5  6  76  o 11.640  2.7330 0.7383000      5.467000  
1 1 1 5  6  77  o 8.7990  2.5940 -1.525000      5.189000  
1 1 1 5  6  78  o 10.500  2.8010 -1.469000      5.603000  
1 1 1 5  6  79  o 8.2150  2.5350 -3.966000      5.070000  
1 1 1 5  6  80  o 9.0140  2.6420 -4.546000      5.285000  
1 1 1 5  6  81  o 9.3820  2.5670 3.742000       5.134000  
1 1 1 5  6  82  o 8.2780  2.5690 -0.9924000     5.137000  
1 1 1 5  6  83  o 8.5290  2.6040 -1.439000      5.209000  
1 1 1 5  6  84  o 7.1010  2.3610 -1.998000      4.722000  
1 1 1 5  6  85  o 9.6950  2.7570 2.416000       5.514000  
1 1 1 5  6  86  f 7.5760  2.4890 0.1259000      4.978000  
1 1 1 5  6  87  o 7.1650  2.3620 0.3083000      4.724000  
1 1 1 5  6  88  o 7.6040  2.4630 -1.947000      4.926000  
1 1 1 5  6  89  o 6.0760  2.0780 -0.9474000     4.157000  
1 1 1 5  6  90  o 6.1220  2.0830 -1.672000      4.165000  
1 1 1 5  6  91  o 5.9760  2.0490 -0.2836000     4.099000  
1 1 1 5  6  92  o 5.4070  1.8920 -0.9569000E-01 3.784000  
1 1 1 5  6  93  o 6.1910  2.1260 -0.1876000     4.251000  
1 1 1 5  6  94  o 5.5670  1.9550 0.7565000      3.909000  
1 1 1 5  6  95  o 4.6910  1.6680 0.1570000      3.337000  
1 1 1 5  6  96  o 5.2530  1.8320 -0.1905000     3.663000  
1 1 1 5  6  97  o 4.3980  1.5550 -0.4683000     3.110000  
1 1 1 5  6  98  o 4.3640  1.4920 -1.059000      2.984000  
1 1 1 5  7  0   o 37.230  0.7326 -0.000000      0.000000  
1 1 1 5  7  1   o 79.760  1.0950 0.4527000      2.191000  
1 1 1 5  7  2   o 95.730  1.3150 -1.000000      2.629000  
1 1 1 5  7  3   o 59.620  0.8202 0.1999000      1.640000  
1 1 1 5  7  4   o 53.430  0.7368 0.3550000      1.474000  
1 1 1 5  7  5   o 65.850  0.9058 0.9378000E-01  1.812000  
1 1 1 5  7  6   o 89.030  1.2250 0.3265000      2.450000  
1 1 1 5  7  7   o 69.500  0.9568 1.781000       1.914000  
1 1 1 5  7  8   o 23.160  0.3949 0.1929000      0.7898000 
1 1 1 5  7  9   o 53.490  0.7401 -0.4893000     1.480000  
1 1 1 5  7  10  o 54.640  0.7572 0.1449000      1.514000  
1 1 1 5  7  11  o 73.320  1.0920 0.9140000      2.185000  
1 1 1 5  7  12  o 45.950  0.6885 0.9248000      1.377000  
1 1 1 5  7  13  o 56.410  0.8426 -0.8640000E-01 1.685000  
1 1 1 5  7  14  o 36.240  0.5912 -2.211000      1.182000  
1 1 1 5  7  15  o 22.670  0.3699 0.3433000      0.7398000 
1 1 1 5  7  16  o 35.810  0.5851 0.8560000      1.170000  
1 1 1 5  7  17  o 37.070  0.6049 -0.5801000     1.210000  
1 1 1 5  7  18  o 43.430  0.8608 1.454000       1.722000  
1 1 1 5  7  19  o 37.120  0.6807 0.2162000E-01  1.361000  
1 1 1 5  7  20  o 23.630  0.4743 0.4210000E-01  0.9486000 
1 1 1 5  7  21  o 26.930  0.5232 -0.4925000     1.046000  
1 1 1 5  7  22  o 28.210  0.5434 -0.4484000     1.087000  
1 1 1 5  7  23  f 31.670  0.6607 0.3316000      1.321000  
1 1 1 5  7  24  o 20.800  0.5102 -0.4459000     1.020000  
1 1 1 5  7  25  o 35.130  0.7236 0.3866000      1.447000  
1 1 1 5  7  26  o 21.790  0.5282 -0.3412000     1.056000  
1 1 1 5  7  27  o 19.550  0.5247 0.9533000E-01  1.049000  
1 1 1 5  7  28  o 63.250  1.2570 -0.4087000E-01 2.514000  
1 1 1 5  7  29  o 11.800  0.6382 0.5352000      1.276000  
1 1 1 5  7  30  o 15.180  0.5641 -2.116000      1.128000  
1 1 1 5  7  31  o 49.860  1.0050 0.4169000      2.009000  
1 1 1 5  7  32  o 23.100  0.5883 0.6585000      1.177000  
1 1 1 5  7  33  o 33.460  0.7179 0.6261000      1.436000  
1 1 1 5  7  34  o 31.850  0.6954 -0.3087000     1.391000  
1 1 1 5  7  35  o 25.030  0.6232 -0.5080000     1.246000  
1 1 1 5  7  36  o 16.800  0.6298 -0.1996000     1.260000  
1 1 1 5  7  37  o 29.350  0.6872 -0.1026000     1.374000  
1 1 1 5  7  38  o 26.490  0.6610 -0.2493000     1.322000  
1 1 1 5  7  39  f 28.700  0.8767 2.050000       1.753000  
1 1 1 5  7  40  o 30.500  0.7149 0.6810000      1.430000  
1 1 1 5  7  41  f 36.440  0.8003 -0.4419000     1.601000  
1 1 1 5  7  42  o 35.720  0.9624 1.792000       1.925000  
1 1 1 5  7  43  o 41.720  1.0950 1.821000       2.190000  
1 1 1 5  7  44  o 22.940  0.8345 1.801000       1.669000  
1 1 1 5  7  45  o 14.880  1.0030 0.7260000E-01  2.005000  
1 1 1 5  7  46  o 39.970  1.0620 0.1747000      2.125000  
1 1 1 5  7  47  o 36.430  1.0040 0.8757000      2.008000  
1 1 1 5  7  48  o 28.860  0.9077 -1.072000      1.815000  
1 1 1 5  7  49  o 40.750  1.0850 0.1805000      2.170000  
1 1 1 5  7  50  f 25.280  0.9187 -2.313000      1.837000  
1 1 1 5  7  51  o 16.400  1.0550 0.1618000      2.109000  
1 1 1 5  7  52  f 36.940  1.0400 -0.8820000     2.081000  
1 1 1 5  7  53  o 30.350  0.9838 1.381000       1.968000  
1 1 1 5  7  54  o 62.310  1.5770 1.208000       3.154000  
1 1 1 5  7  55  o 56.710  1.4550 1.415000       2.910000  
1 1 1 5  7  56  o 29.730  1.0370 0.1712000      2.074000  
1 1 1 5  7  57  o 5.0610  1.6340 -0.6410000E-01 3.267000  
1 1 1 5  7  58  o 32.800  1.0580 -0.4827000     2.115000  
1 1 1 5  7  59  o 25.470  1.1000 -1.956000      2.201000  
1 1 1 5  7  60  o 26.840  1.0660 -1.254000      2.131000  
1 1 1 5  7  61  o 10.250  1.9960 -0.4722000     3.992000  
1 1 1 5  7  62  o 8.6300  2.1920 -1.017000      4.383000  
1 1 1 5  7  63  o 6.4880  2.0530 -0.3324000     4.105000  
1 1 1 5  7  64  o 18.970  1.7040 2.786000       3.408000  
1 1 1 5  7  65  o 19.400  1.7610 0.3807000E-01  3.522000  
1 1 1 5  7  66  o 9.9760  2.3640 -3.095000      4.727000  
1 1 1 5  7  67  o 29.760  1.4420 -3.232000      2.884000  
1 1 1 5  7  68  o 11.990  2.4040 4.629000       4.809000  
1 1 1 5  7  69  o 8.4910  2.4270 -3.084000      4.854000  
1 1 1 5  7  70  o 12.580  2.6170 -2.083000      5.235000  
1 1 1 5  7  71  o 13.790  2.4750 -2.782000      4.950000  
1 1 1 5  7  72  o 17.020  2.2540 2.288000       4.508000  
1 1 1 5  7  73  o 8.6080  2.4870 1.937000       4.975000  
1 1 1 5  7  74  o 10.150  2.6090 -0.8981000     5.218000  
1 1 1 5  7  75  f 11.770  2.6730 -4.202000      5.346000  
1 1 1 5  7  76  o 8.6350  2.5520 -0.3477000     5.103000  
1 1 1 5  7  77  o 16.000  2.5560 -3.095000      5.113000  
1 1 1 5  7  78  o 11.550  2.7940 -0.5477000     5.587000  
1 1 1 5  7  79  o 10.220  2.7540 -4.441000      5.508000  
1 1 1 5  7  80  o 9.0740  2.6650 2.112000       5.329000  
1 1 1 5  7  81  o 10.130  2.7730 3.032000       5.546000  
1 1 1 5  7  82  f 7.8880  2.4850 -0.9542000     4.970000  
1 1 1 5  7  83  o 6.9720  2.2810 0.9787000      4.562000  
1 1 1 5  7  84  o 6.7820  2.2800 -1.378000      4.560000  
1 1 1 5  7  85  f 7.7710  2.5090 0.9290000      5.018000  
1 1 1 5  7  86  f 6.9050  2.3400 -0.4888000     4.680000  
1 1 1 5  7  87  o 6.2890  2.1600 -0.7076000     4.319000  
1 1 1 5  7  88  o 6.7040  2.1830 2.727000       4.366000  
1 1 1 5  7  89  o 4.9980  1.7700 -0.9253000     3.541000  
1 1 1 5  7  90  o 5.9110  2.0290 -1.684000      4.058000  
1 1 1 5  7  91  f 5.6460  1.9750 0.8477000      3.949000  
1 1 1 5  7  92  o 5.4090  1.9170 0.5106000      3.835000  
1 1 1 5  7  93  o 5.8160  2.0400 0.7906000      4.080000  
1 1 1 5  7  94  o 5.5900  1.9490 0.4174000      3.898000  
1 1 1 5  7  95  o 5.3330  1.8350 1.103000       3.671000  
1 1 1 5  7  96  o 5.1110  1.7800 -0.2284000     3.560000  
1 1 1 5  7  97  o 3.8990  1.3790 0.4984000      2.758000  
1 1 1 5  7  98  o 3.9560  1.3860 -0.2494000     2.773000  
1 1 1 5  8  0   o 84.670  1.6460 0.000000       0.000000  
1 1 1 5  8  1   o 34.630  0.5293 -3.387000      1.059000  
1 1 1 5  8  2   o 90.050  1.2400 2.707000       2.479000  
1 1 1 5  8  3   o 67.080  0.9257 -0.4803000     1.851000  
1 1 1 5  8  4   o 49.620  0.6861 -0.3936000     1.372000  
1 1 1 5  8  5   o 38.350  0.5348 -0.3866000     1.070000  
1 1 1 5  8  6   o 61.750  0.8507 0.8331000      1.701000  
1 1 1 5  8  7   o 28.790  0.4131 0.7002000E-01  0.8262000 
1 1 1 5  8  8   o 34.100  0.4796 0.2743000      0.9592000 
1 1 1 5  8  9   o 33.750  0.4773 0.1839000      0.9547000 
1 1 1 5  8  10  o 10.160  0.3450 -2.038000      0.6900000 
1 1 1 5  8  11  o 62.820  0.8700 0.1610000      1.740000  
1 1 1 5  8  12  f 19.160  0.3551 -0.3575000     0.7101000 
1 1 1 5  8  13  o 53.320  0.7390 -0.2956000E-01 1.478000  
1 1 1 5  8  14  o 36.060  0.5493 0.2186000      1.099000  
1 1 1 5  8  15  f 20.200  0.3718 -0.3452000     0.7437000 
1 1 1 5  8  16  o 74.680  1.1170 0.3774000      2.234000  
1 1 1 5  8  17  o 21.150  0.4223 -2.952000      0.8445000 
1 1 1 5  8  18  o 33.020  0.5486 -0.3767000     1.097000  
1 1 1 5  8  19  f 15.180  0.4072 1.750000       0.8145000 
1 1 1 5  8  20  o 17.700  0.4153 1.188000       0.8307000 
1 1 1 5  8  21  o 50.310  0.9093 0.1685000      1.819000  
1 1 1 5  8  22  o 29.790  0.6208 1.752000       1.242000  
1 1 1 5  8  23  o 18.340  0.4623 2.919000       0.9245000 
1 1 1 5  8  24  o 21.460  0.4696 -0.6841000     0.9391000 
1 1 1 5  8  25  f 17.250  0.4478 -0.2310000     0.8956000 
1 1 1 5  8  26  o 30.180  0.6474 -0.7328000E-01 1.295000  
1 1 1 5  8  27  o 15.760  0.5396 -0.2534000     1.079000  
1 1 1 5  8  28  o 5.5680  1.0430 2.016000       2.087000  
1 1 1 5  8  29  o 25.510  0.7363 0.6899000E-01  1.473000  
1 1 1 5  8  30  o 53.350  1.0700 0.1135000      2.140000  
1 1 1 5  8  31  o 25.650  0.6103 0.6840000      1.221000  
1 1 1 5  8  32  o 42.800  0.8760 -0.8163000     1.752000  
1 1 1 5  8  33  o 7.8830  0.9993 0.2281000E-01  1.999000  
1 1 1 5  8  34  o 20.670  0.5961 -0.3058000     1.192000  
1 1 1 5  8  35  o 26.240  0.6372 0.3671000      1.274000  
1 1 1 5  8  36  o 33.460  0.7385 0.4210000      1.477000  
1 1 1 5  8  37  o 42.040  0.8778 -0.3711000E-01 1.756000  
1 1 1 5  8  38  o 37.530  0.8068 0.1134000      1.614000  
1 1 1 5  8  39  o 22.900  0.6484 -1.203000      1.297000  
1 1 1 5  8  40  o 34.790  0.7739 0.2686000      1.548000  
1 1 1 5  8  41  o 22.610  0.6761 0.1061000      1.352000  
1 1 1 5  8  42  o 29.140  0.7180 -0.6771000     1.436000  
1 1 1 5  8  43  o 40.400  0.8689 0.1561000      1.738000  
1 1 1 5  8  44  f 41.770  1.1090 0.5680000E-02  2.219000  
1 1 1 5  8  45  o 13.130  0.9714 1.286000       1.943000  
1 1 1 5  8  46  o 25.260  0.7179 -1.286000      1.436000  
1 1 1 5  8  47  o 36.330  0.8299 -0.9848000     1.660000  
1 1 1 5  8  48  o 6.6190  1.5990 -2.129000      3.198000  
1 1 1 5  8  49  o 38.470  1.0550 1.243000       2.109000  
1 1 1 5  8  50  o 46.560  1.2120 0.4427000E-01  2.424000  
1 1 1 5  8  51  o 20.170  1.0220 -0.3927000     2.044000  
1 1 1 5  8  52  o 30.910  0.9721 -1.645000      1.944000  
1 1 1 5  8  53  o 41.500  1.1330 0.4895000      2.266000  
1 1 1 5  8  54  o 28.900  0.9938 -1.748000      1.988000  
1 1 1 5  8  55  o 28.500  1.0070 -0.7854000     2.014000  
1 1 1 5  8  56  o 11.280  1.6890 -1.559000      3.377000  
1 1 1 5  8  57  o 12.950  1.5600 -1.286000      3.119000  
1 1 1 5  8  58  o 7.8890  2.0230 1.259000       4.046000  
1 1 1 5  8  59  o 28.350  1.0520 -0.4358000     2.104000  
1 1 1 5  8  60  o 5.9910  1.8420 1.519000       3.683000  
1 1 1 5  8  61  o 22.370  1.1880 -2.814000      2.377000  
1 1 1 5  8  62  o 10.370  1.9910 1.311000       3.983000  
1 1 1 5  8  63  o 6.0290  1.8560 -0.9250000     3.712000  
1 1 1 5  8  64  o 13.550  1.8060 -1.685000      3.612000  
1 1 1 5  8  65  o 10.470  2.1440 -0.6738000     4.288000  
1 1 1 5  8  66  o 8.6830  2.1710 2.044000       4.342000  
1 1 1 5  8  67  o 8.1700  2.3320 1.802000       4.663000  
1 1 1 5  8  68  o 12.940  2.4490 1.694000       4.898000  
1 1 1 5  8  69  o 13.650  2.5190 0.9681000      5.039000  
1 1 1 5  8  70  o 11.270  2.5760 -1.472000      5.152000  
1 1 1 5  8  71  o 8.3200  2.4340 1.137000       4.868000  
1 1 1 5  8  72  o 9.3270  2.4590 -5.052000      4.918000  
1 1 1 5  8  73  o 16.580  2.3320 0.9089000      4.664000  
1 1 1 5  8  74  o 16.290  2.4670 -0.5190000     4.935000  
1 1 1 5  8  75  o 7.9050  2.4570 -0.4032000     4.913000  
1 1 1 5  8  76  o 8.2520  2.4760 -0.2096000     4.952000  
1 1 1 5  8  77  o 13.030  2.7530 1.309000       5.505000  
1 1 1 5  8  78  o 9.3620  2.6350 2.546000       5.269000  
1 1 1 5  8  79  o 10.200  2.6890 -0.1371000E-01 5.378000  
1 1 1 5  8  80  o 8.6220  2.5600 -1.588000      5.121000  
1 1 1 5  8  81  o 10.070  2.8040 -0.6376000     5.608000  
1 1 1 5  8  82  o 8.6940  2.6300 -0.7721000     5.260000  
1 1 1 5  8  83  o 7.5450  2.4100 -0.4708000     4.821000  
1 1 1 5  8  84  o 8.2110  2.5260 1.442000       5.053000  
1 1 1 5  8  85  o 6.0750  2.1030 0.8345000      4.206000  
1 1 1 5  8  86  o 7.3920  2.4440 -0.6691000E-01 4.888000  
1 1 1 5  8  87  o 6.8330  2.2030 2.478000       4.406000  
1 1 1 5  8  88  f 7.2470  2.3150 -1.805000      4.630000  
1 1 1 5  8  89  o 6.1530  2.0810 -0.1853000     4.161000  
1 1 1 5  8  90  o 6.4780  2.1760 0.9908000      4.351000  
1 1 1 5  8  91  o 6.3520  2.1670 0.7915000      4.334000  
1 1 1 5  8  92  o 5.9380  2.0620 -0.8377000     4.125000  
1 1 1 5  8  93  o 4.9990  1.7770 -1.179000      3.555000  
1 1 1 5  8  94  o 4.7730  1.6920 -0.2767000     3.384000  
1 1 1 5  8  95  o 4.5580  1.6210 0.2959000      3.241000  
1 1 1 5  8  96  f 3.9200  1.3970 -0.8525000E-02 2.793000  
1 1 1 5  8  97  o 3.7960  1.3460 0.3976000      2.693000  
1 1 1 5  9  0   o 9.3350  0.4558 -0.000000      0.000000  
1 1 1 5  9  1   o 44.170  0.6131 0.2966000      1.226000  
1 1 1 5  9  2   o 40.320  0.5613 0.3226000      1.123000  
1 1 1 5  9  3   o 49.920  0.6904 -0.1556000     1.381000  
1 1 1 5  9  4   o 33.040  0.4668 -0.1400000     0.9337000 
1 1 1 5  9  5   o 37.820  0.5287 0.6360000      1.057000  
1 1 1 5  9  6   o 59.440  0.8209 0.8872000      1.642000  
1 1 1 5  9  7   o 46.110  0.6414 0.2817000      1.283000  
1 1 1 5  9  8   o 35.250  0.4968 -0.4876000     0.9936000 
1 1 1 5  9  9   o 43.970  0.6122 0.4583000      1.224000  
1 1 1 5  9  10  o 46.750  0.6502 1.249000       1.300000  
1 1 1 5  9  11  o 62.640  0.8676 0.9206000      1.735000  
1 1 1 5  9  12  o 17.660  0.3473 -0.7041000     0.6947000 
1 1 1 5  9  13  o 16.270  0.2918 -0.7969000     0.5836000 
1 1 1 5  9  14  o 55.180  0.7680 -0.1980000E-01 1.536000  
1 1 1 5  9  15  o 34.160  0.5647 -2.625000      1.129000  
1 1 1 5  9  16  o 25.480  0.4143 0.8223000      0.8285000 
1 1 1 5  9  17  o 18.000  0.3898 -3.440000      0.7796000 
1 1 1 5  9  18  o 55.380  0.8337 -0.2041000     1.667000  
1 1 1 5  9  19  o 23.960  0.4267 -0.8630000     0.8534000 
1 1 1 5  9  20  o 6.8510  0.5327 2.064000       1.065000  
1 1 1 5  9  21  o 15.810  0.3686 0.5418000      0.7372000 
1 1 1 5  9  22  o 18.130  0.3863 -0.7176000     0.7727000 
1 1 1 5  9  23  o 17.250  0.4970 1.078000       0.9940000 
1 1 1 5  9  24  o 3.1840  0.8985 0.2810000      1.797000  
1 1 1 5  9  25  o 27.860  0.5521 -0.3057000     1.104000  
1 1 1 5  9  26  o 23.500  0.5059 -1.383000      1.012000  
1 1 1 5  9  27  o 39.400  0.7352 -1.106000      1.470000  
1 1 1 5  9  28  o 43.570  0.8064 1.966000       1.613000  
1 1 1 5  9  29  o 34.080  0.7212 0.3757000      1.442000  
1 1 1 5  9  30  o 32.390  0.6986 -0.7882000E-01 1.397000  
1 1 1 5  9  31  o 19.430  0.5571 -0.3378000     1.114000  
1 1 1 5  9  32  o 20.440  0.5843 -0.1668000     1.169000  
1 1 1 5  9  33  o 27.610  0.6483 -0.4692000     1.297000  
1 1 1 5  9  34  o 13.420  0.7008 0.2993000      1.402000  
1 1 1 5  9  35  o 16.180  0.6517 -0.7102000     1.303000  
1 1 1 5  9  36  o 52.420  1.0600 0.4009000      2.120000  
1 1 1 5  9  37  o 26.120  0.6713 0.5130000      1.343000  
1 1 1 5  9  38  o 59.550  1.1950 0.4762000      2.391000  
1 1 1 5  9  39  o 38.420  0.8269 1.341000       1.654000  
1 1 1 5  9  40  o 18.240  0.7062 0.1762000      1.412000  
1 1 1 5  9  41  o 16.030  0.7557 -0.5164000     1.511000  
1 1 1 5  9  42  o 13.210  0.8797 -1.256000      1.759000  
1 1 1 5  9  43  o 26.810  0.7227 0.1211000      1.445000  
1 1 1 5  9  44  f 35.060  0.7996 -0.7380000     1.599000  
1 1 1 5  9  45  o 31.220  0.7653 -0.4366000     1.531000  
1 1 1 5  9  46  o 12.140  1.0470 -0.4399000     2.093000  
1 1 1 5  9  47  f 10.720  1.2870 2.897000       2.574000  
1 1 1 5  9  48  o 30.210  0.7697 0.2335000      1.539000  
1 1 1 5  9  49  o 8.7640  1.8520 3.101000       3.704000  
1 1 1 5  9  50  o 15.160  1.0000 2.382000       2.000000  
1 1 1 5  9  51  o 32.200  0.8159 0.6107000E-01  1.632000  
1 1 1 5  9  52  o 8.8410  1.6140 3.512000       3.228000  
1 1 1 5  9  53  o 40.680  0.9290 1.350000       1.858000  
1 1 1 5  9  54  o 14.930  1.3520 -0.1522000     2.703000  
1 1 1 5  9  55  o 54.470  1.4220 1.342000       2.844000  
1 1 1 5  9  56  o 42.750  1.1830 0.2674000      2.365000  
1 1 1 5  9  57  f 25.780  1.0600 1.983000       2.121000  
1 1 1 5  9  58  o 17.840  1.2770 -1.350000      2.555000  
1 1 1 5  9  59  o 25.710  1.1020 0.4275000E-01  2.204000  
1 1 1 5  9  60  o 9.5960  2.0120 1.180000       4.024000  
1 1 1 5  9  61  o 8.0490  2.0760 0.9652000      4.153000  
1 1 1 5  9  62  o 19.040  1.3460 -1.371000      2.691000  
1 1 1 5  9  63  o 18.510  1.4540 -5.327000      2.907000  
1 1 1 5  9  64  o 12.880  1.8900 -0.9327000E-01 3.779000  
1 1 1 5  9  65  o 18.340  1.4670 -1.113000      2.934000  
1 1 1 5  9  66  o 12.890  2.0620 -2.639000      4.124000  
1 1 1 5  9  67  o 7.3560  2.1340 0.9949000E-01  4.268000  
1 1 1 5  9  68  o 8.1540  2.1160 -3.725000      4.232000  
1 1 1 5  9  69  o 6.9210  2.0590 -2.181000      4.117000  
1 1 1 5  9  70  o 29.640  1.3000 0.2097000      2.600000  
1 1 1 5  9  71  o 8.2660  2.3240 -0.1604000     4.647000  
1 1 1 5  9  72  o 8.6200  2.4630 0.8792000      4.926000  
1 1 1 5  9  73  o 9.8750  2.6360 -0.3696000     5.272000  
1 1 1 5  9  74  o 10.510  2.5890 1.018000       5.178000  
1 1 1 5  9  75  o 9.2650  2.6450 -2.439000      5.289000  
1 1 1 5  9  76  o 6.3400  2.1220 1.116000       4.244000  
1 1 1 5  9  77  o 7.8990  2.4860 -4.925000      4.971000  
1 1 1 5  9  78  o 9.1480  2.6870 -1.718000      5.374000  
1 1 1 5  9  79  o 6.6190  2.2350 -1.755000      4.469000  
1 1 1 5  9  80  o 7.1530  2.2740 0.9079000      4.548000  
1 1 1 5  9  81  f 7.6780  2.3940 -2.703000      4.788000  
1 1 1 5  9  82  o 7.6530  2.4330 -2.614000      4.867000  
1 1 1 5  9  83  o 7.9400  2.4940 -0.1183000     4.987000  
1 1 1 5  9  84  o 8.8700  2.7100 -0.7151000     5.420000  
1 1 1 5  9  85  o 5.9600  2.0770 0.3941000      4.153000  
1 1 1 5  9  86  o 7.6460  2.4510 -2.944000      4.903000  
1 1 1 5  9  87  o 5.7540  1.9880 -1.580000      3.975000  
1 1 1 5  9  88  o 6.7240  2.1840 1.847000       4.368000  
1 1 1 5  9  89  o 6.2890  2.1460 -1.042000      4.291000  
1 1 1 5  9  90  o 5.8710  2.0380 0.8356000      4.075000  
1 1 1 5  9  91  o 5.3480  1.8930 -0.8443000     3.786000  
1 1 1 5  9  92  o 5.9800  2.0350 -0.9965000E-01 4.071000  
1 1 1 5  9  93  o 4.5640  1.6270 0.1960000      3.253000  
1 1 1 5  9  94  o 5.4260  1.8780 1.126000       3.756000  
1 1 1 5  9  95  o 4.2800  1.5230 0.3938000      3.046000  
1 1 1 5  9  96  o 4.5860  1.5950 0.8137000      3.189000  
1 1 1 5  10 0   o 9.6580  0.4044 0.000000       0.000000  
1 1 1 5  10 1   o 17.740  0.2921 0.5614000      0.5843000 
1 1 1 5  10 2   o 11.020  0.2958 -0.5532000     0.5916000 
1 1 1 5  10 3   o 57.140  0.7905 -1.112000      1.581000  
1 1 1 5  10 4   o 49.600  0.6885 0.8312000      1.377000  
1 1 1 5  10 5   o 40.940  0.5718 0.5386000      1.144000  
1 1 1 5  10 6   o 48.640  0.6763 -0.4225000E-01 1.353000  
1 1 1 5  10 7   o 40.350  0.5646 1.165000       1.129000  
1 1 1 5  10 8   o 25.940  0.3830 -0.6277000E-01 0.7661000 
1 1 1 5  10 9   o 34.410  0.4871 0.4551000      0.9742000 
1 1 1 5  10 10  o 40.540  0.5680 -0.1508000     1.136000  
1 1 1 5  10 11  o 41.150  0.5779 0.5602000      1.156000  
1 1 1 5  10 12  o 6.8650  0.4593 -1.205000      0.9186000 
1 1 1 5  10 13  o 18.320  0.3117 -0.1963000     0.6233000 
1 1 1 5  10 14  o 40.290  0.5676 -0.8384000E-01 1.135000  
1 1 1 5  10 15  o 12.010  0.3527 -0.4230000E-02 0.7054000 
1 1 1 5  10 16  o 7.1380  0.3974 -0.2783000E-01 0.7948000 
1 1 1 5  10 17  o 17.730  0.3431 -0.5901000     0.6862000 
1 1 1 5  10 18  o 38.800  0.5938 -0.1223000     1.188000  
1 1 1 5  10 19  o 54.890  0.8264 -0.8547000E-01 1.653000  
1 1 1 5  10 20  f 20.450  0.4396 -0.5901000     0.8791000 
1 1 1 5  10 21  o 9.0490  0.4017 0.7067000      0.8035000 
1 1 1 5  10 22  o 18.870  0.3975 0.8261000E-01  0.7950000 
1 1 1 5  10 23  o 34.010  0.5710 -0.5631000     1.142000  
1 1 1 5  10 24  o 17.350  0.3902 0.8831000E-02  0.7805000 
1 1 1 5  10 25  f 37.690  0.6285 -0.8186000     1.257000  
1 1 1 5  10 26  o 37.260  0.6239 -0.7715000     1.248000  
1 1 1 5  10 27  o 55.650  1.0110 -0.2614000     2.021000  
1 1 1 5  10 28  o 43.120  0.7952 -1.080000      1.590000  
1 1 1 5  10 29  o 10.570  0.5693 0.9477000      1.139000  
1 1 1 5  10 30  o 38.110  0.7207 -1.038000      1.441000  
1 1 1 5  10 31  o 20.450  0.5201 -0.7718000     1.040000  
1 1 1 5  10 32  o 19.370  0.5165 -0.5950000     1.033000  
1 1 1 5  10 33  o 46.330  0.9456 -0.6124000     1.891000  
1 1 1 5  10 34  o 57.940  1.1630 -0.1974000     2.326000  
1 1 1 5  10 35  o 7.5380  1.2020 2.433000       2.404000  
1 1 1 5  10 36  o 32.140  0.7248 -0.5021000     1.450000  
1 1 1 5  10 37  o 12.920  0.8051 -0.3571000     1.610000  
1 1 1 5  10 38  o 51.240  1.0450 0.3232000      2.091000  
1 1 1 5  10 39  o 29.190  0.7042 -0.2032000     1.408000  
1 1 1 5  10 40  o 22.210  0.6940 0.1545000      1.388000  
1 1 1 5  10 41  o 17.330  0.7383 0.6138000      1.477000  
1 1 1 5  10 42  o 45.230  0.9475 -0.7907000     1.895000  
1 1 1 5  10 43  o 22.660  0.7263 -0.6737000     1.453000  
1 1 1 5  10 44  f 9.5740  1.2780 0.3698000      2.555000  
1 1 1 5  10 45  o 6.4460  1.5530 -0.6574000     3.106000  
1 1 1 5  10 46  o 26.660  0.7362 -0.2893000     1.472000  
1 1 1 5  10 47  o 24.670  0.7408 0.3854000      1.482000  
1 1 1 5  10 48  o 20.250  0.7998 -1.552000      1.600000  
1 1 1 5  10 49  o 34.030  0.8211 -0.6782000E-01 1.642000  
1 1 1 5  10 50  f 29.280  0.7926 1.240000       1.585000  
1 1 1 5  10 51  o 28.130  0.8154 -0.2924000     1.631000  
1 1 1 5  10 52  o 19.910  0.8939 0.1283000      1.788000  
1 1 1 5  10 53  o 35.680  0.8770 0.8393000      1.754000  
1 1 1 5  10 54  o 19.820  0.9051 -0.9712000     1.810000  
1 1 1 5  10 55  o 20.260  1.2830 3.679000       2.567000  
1 1 1 5  10 56  o 30.010  0.8635 0.2046000      1.727000  
1 1 1 5  10 57  o 24.400  0.9018 -0.6664000     1.804000  
1 1 1 5  10 58  o 6.0020  1.7390 -0.4954000     3.477000  
1 1 1 5  10 59  o 19.290  1.2150 1.198000       2.430000  
1 1 1 5  10 60  o 5.9930  1.8260 -1.295000      3.651000  
1 1 1 5  10 61  o 22.730  1.1860 -1.852000      2.372000  
1 1 1 5  10 62  o 18.480  1.3830 -2.097000      2.766000  
1 1 1 5  10 63  o 20.330  1.3100 -0.4236000     2.621000  
1 1 1 5  10 64  o 8.8030  2.1270 -2.145000      4.255000  
1 1 1 5  10 65  f 12.290  2.0950 2.978000       4.189000  
1 1 1 5  10 66  o 8.4110  2.2230 -0.8716000     4.445000  
1 1 1 5  10 67  o 7.2970  2.1300 -1.235000      4.259000  
1 1 1 5  10 68  o 17.120  1.7550 -0.2019000     3.509000  
1 1 1 5  10 69  o 7.5060  2.2190 0.4733000      4.438000  
1 1 1 5  10 70  o 12.680  2.1930 -3.045000      4.386000  
1 1 1 5  10 71  o 9.9380  2.3630 3.027000       4.726000  
1 1 1 5  10 72  o 10.500  2.4310 -0.6303000     4.862000  
1 1 1 5  10 73  o 8.4600  2.3400 -0.7082000     4.681000  
1 1 1 5  10 74  o 13.300  2.2250 -4.634000      4.449000  
1 1 1 5  10 75  f 11.380  2.5380 2.247000       5.076000  
1 1 1 5  10 76  o 7.1640  2.2530 1.442000       4.505000  
1 1 1 5  10 77  o 7.8260  2.4790 -2.275000      4.957000  
1 1 1 5  10 78  o 8.6680  2.6290 -2.199000      5.258000  
1 1 1 5  10 79  o 8.4940  2.5750 0.9037000      5.151000  
1 1 1 5  10 80  o 8.8510  2.5940 -1.268000      5.188000  
1 1 1 5  10 81  o 6.0360  2.0660 0.8062000E-01  4.132000  
1 1 1 5  10 82  o 6.5710  2.2220 -0.8353000E-01 4.444000  
1 1 1 5  10 83  o 8.2290  2.5880 -1.107000      5.175000  
1 1 1 5  10 84  o 6.1450  2.1210 -0.6097000     4.243000  
1 1 1 5  10 85  o 6.9420  2.3090 -0.6715000     4.618000  
1 1 1 5  10 86  o 6.3320  2.1110 -0.5052000E-01 4.222000  
1 1 1 5  10 87  o 5.6320  1.9370 0.1098000      3.874000  
1 1 1 5  10 88  o 7.4050  2.3990 -3.630000      4.798000  
1 1 1 5  10 89  o 5.4220  1.9160 0.2272000      3.832000  
1 1 1 5  10 90  o 5.5040  1.9190 0.7198000      3.839000  
1 1 1 5  10 91  o 5.7790  2.0140 -0.9437000     4.029000  
1 1 1 5  10 92  o 5.2940  1.8550 0.2198000      3.710000  
1 1 1 5  10 93  o 4.9450  1.7510 0.4820000      3.503000  
1 1 1 5  10 94  o 4.0460  1.4580 0.9289000      2.916000  
1 1 1 5  10 95  o 4.5610  1.5820 1.092000       3.164000  
1 1 1 5  11 0   o 4.1380  0.9562 0.000000       0.000000  
1 1 1 5  11 1   o 18.760  0.3305 1.372000       0.6610000 
1 1 1 5  11 2   o 28.710  0.4152 0.5692000E-01  0.8305000 
1 1 1 5  11 3   o 40.680  0.5690 0.1595000E-01  1.138000  
1 1 1 5  11 4   o 37.640  0.5299 0.9387000      1.060000  
1 1 1 5  11 5   o 28.730  0.4171 0.5424000      0.8342000 
1 1 1 5  11 6   o 32.080  0.4961 0.8629000      0.9921000 
1 1 1 5  11 7   o 62.680  0.8693 0.4454000      1.739000  
1 1 1 5  11 8   o 39.140  0.5970 -0.4990000     1.194000  
1 1 1 5  11 9   o 16.790  0.3010 0.3718000      0.6020000 
1 1 1 5  11 10  o 20.860  0.3309 -1.135000      0.6618000 
1 1 1 5  11 11  o 40.030  0.5631 0.4207000      1.126000  
1 1 1 5  11 12  o 16.900  0.3331 -0.3476000     0.6662000 
1 1 1 5  11 13  o 30.950  0.4484 1.225000       0.8969000 
1 1 1 5  11 14  o 39.370  0.5567 -0.4872000E-01 1.113000  
1 1 1 5  11 15  o 35.340  0.5053 0.2804000E-01  1.011000  
1 1 1 5  11 16  o 17.580  0.3700 -1.180000      0.7399000 
1 1 1 5  11 17  o 31.350  0.4573 -0.2670000E-03 0.9146000 
1 1 1 5  11 18  o 38.190  0.5439 -0.2831000     1.088000  
1 1 1 5  11 19  o 13.970  0.3634 -1.377000      0.7268000 
1 1 1 5  11 20  o 21.600  0.3848 -0.1532000     0.7695000 
1 1 1 5  11 21  o 20.980  0.4015 -1.580000      0.8030000 
1 1 1 5  11 22  o 7.9140  0.5285 -2.925000      1.057000  
1 1 1 5  11 23  o 9.4380  0.4920 -0.8853000     0.9839000 
1 1 1 5  11 24  o 39.710  0.6584 0.1092000      1.317000  
1 1 1 5  11 25  o 26.710  0.4841 0.6894000      0.9682000 
1 1 1 5  11 26  o 42.350  0.6993 -0.8265000E-01 1.399000  
1 1 1 5  11 27  o 28.550  0.5121 0.4722000      1.024000  
1 1 1 5  11 28  o 33.240  0.5746 -0.9724000E-01 1.149000  
1 1 1 5  11 29  o 5.4090  0.9719 -1.543000      1.944000  
1 1 1 5  11 30  f 39.480  0.6631 0.3364000      1.326000  
1 1 1 5  11 31  f 35.650  0.6882 0.2195000      1.376000  
1 1 1 5  11 32  o 39.950  0.7557 -0.1820000     1.511000  
1 1 1 5  11 33  o 6.4300  1.0220 3.636000       2.045000  
1 1 1 5  11 34  o 26.490  0.5817 0.6936000      1.163000  
1 1 1 5  11 35  o 12.740  0.6550 -1.614000      1.310000  
1 1 1 5  11 36  o 24.720  0.7943 -1.536000      1.589000  
1 1 1 5  11 37  o 29.070  0.6962 -0.6086000     1.392000  
1 1 1 5  11 38  o 64.730  1.2950 -0.3790000     2.591000  
1 1 1 5  11 39  o 30.530  0.7358 0.4902000      1.472000  
1 1 1 5  11 40  o 31.470  0.7432 0.9132000      1.486000  
1 1 1 5  11 41  o 19.580  0.7208 0.2603000      1.442000  
1 1 1 5  11 42  f 15.490  0.8322 -1.011000      1.664000  
1 1 1 5  11 43  o 27.020  0.7244 -0.8154000     1.449000  
1 1 1 5  11 44  o 20.950  0.7459 1.550000       1.492000  
1 1 1 5  11 45  o 4.7300  1.4210 0.2792000      2.842000  
1 1 1 5  11 46  o 8.7720  1.4510 -0.2106000     2.901000  
1 1 1 5  11 47  o 35.480  0.8348 -0.6864000     1.670000  
1 1 1 5  11 48  o 19.790  0.8366 0.9243000      1.673000  
1 1 1 5  11 49  o 34.700  0.8413 0.4125000      1.683000  
1 1 1 5  11 50  o 21.180  0.8702 0.5850000      1.740000  
1 1 1 5  11 51  o 10.320  1.4860 0.2683000      2.973000  
1 1 1 5  11 52  o 27.550  0.8292 0.2025000      1.658000  
1 1 1 5  11 53  o 9.4800  1.6670 -3.396000      3.334000  
1 1 1 5  11 54  o 34.360  0.8814 -0.5467000     1.763000  
1 1 1 5  11 55  o 47.710  1.0510 -0.4325000     2.102000  
1 1 1 5  11 56  o 34.190  0.9039 1.665000       1.808000  
1 1 1 5  11 57  o 6.3120  1.7690 -1.435000      3.539000  
1 1 1 5  11 58  o 5.8750  1.7590 -0.6441000E-01 3.518000  
1 1 1 5  11 59  o 21.540  0.9858 1.817000       1.972000  
1 1 1 5  11 60  o 16.780  1.2080 -0.5846000     2.415000  
1 1 1 5  11 61  o 21.200  1.5270 -1.557000      3.055000  
1 1 1 5  11 62  o 9.5290  1.9130 -5.188000      3.826000  
1 1 1 5  11 63  o 6.5860  1.9270 2.180000       3.853000  
1 1 1 5  11 64  o 16.660  1.6950 -1.772000      3.389000  
1 1 1 5  11 65  o 21.570  1.4270 1.050000       2.854000  
1 1 1 5  11 66  o 19.660  1.5340 -0.5096000     3.068000  
1 1 1 5  11 67  o 7.5010  2.1430 -2.358000      4.286000  
1 1 1 5  11 68  o 25.180  1.3830 -1.869000      2.766000  
1 1 1 5  11 69  o 7.7230  2.1790 -1.651000      4.358000  
1 1 1 5  11 70  o 7.9370  2.2740 0.4206000      4.549000  
1 1 1 5  11 71  o 7.7190  2.2510 -0.9545000     4.501000  
1 1 1 5  11 72  f 8.4400  2.3280 2.222000       4.656000  
1 1 1 5  11 73  o 10.510  2.2780 -4.958000      4.557000  
1 1 1 5  11 74  o 7.3810  2.2550 -1.263000      4.510000  
1 1 1 5  11 75  o 6.2250  2.0540 0.9117000      4.108000  
1 1 1 5  11 76  o 6.4660  2.1230 1.176000       4.246000  
1 1 1 5  11 77  o 17.580  2.0710 1.468000       4.143000  
1 1 1 5  11 78  o 6.3420  2.0710 -0.9234000     4.143000  
1 1 1 5  11 79  o 7.3810  2.2550 -0.4169000     4.510000  
1 1 1 5  11 80  o 8.2850  2.4050 2.714000       4.810000  
1 1 1 5  11 81  o 8.2000  2.5410 -2.146000      5.082000  
1 1 1 5  11 82  o 6.4590  2.1840 0.6445000      4.367000  
1 1 1 5  11 83  o 8.5810  2.5810 -0.4831000     5.161000  
1 1 1 5  11 84  o 7.2560  2.3360 -0.6150000     4.672000  
1 1 1 5  11 85  o 6.3360  2.1180 0.4349000E-01  4.235000  
1 1 1 5  11 86  o 6.3880  2.1420 0.4184000      4.284000  
1 1 1 5  11 87  o 5.4360  1.9090 -1.108000      3.818000  
1 1 1 5  11 88  f 5.7880  2.0270 -0.7844000     4.053000  
1 1 1 5  11 89  o 5.1390  1.8210 0.1316000      3.642000  
1 1 1 5  11 90  f 5.2180  1.8390 -0.5593000     3.679000  
1 1 1 5  11 91  o 5.4200  1.8940 0.2366000      3.787000  
1 1 1 5  11 92  o 4.3600  1.5700 0.4687000      3.140000  
1 1 1 5  11 93  o 3.4930  1.2630 -0.1896000E-02 2.526000  
1 1 1 5  11 94  o 4.8510  1.6540 -1.129000      3.308000  
1 1 1 5  12 0   o 6.5480  0.5868 -0.000000      0.000000  
1 1 1 5  12 1   o 9.2250  0.3189 -0.2528000E-02 0.6379000 
1 1 1 5  12 2   o 9.6480  0.3177 -0.8696000     0.6355000 
1 1 1 5  12 3   o 12.500  0.2878 -0.4378000     0.5756000 
1 1 1 5  12 4   o 20.880  0.3819 1.502000       0.7639000 
1 1 1 5  12 5   o 56.140  0.7800 0.1519000      1.560000  
1 1 1 5  12 6   o 24.160  0.4281 3.044000       0.8562000 
1 1 1 5  12 7   o 43.530  0.6099 0.7659000      1.220000  
1 1 1 5  12 8   o 19.190  0.3467 -0.1887000     0.6935000 
1 1 1 5  12 9   o 27.390  0.4046 -0.3280000     0.8091000 
1 1 1 5  12 10  o 39.840  0.5618 1.176000       1.124000  
1 1 1 5  12 11  o 23.910  0.3983 0.6976000      0.7965000 
1 1 1 5  12 12  o 17.750  0.3182 0.2879000      0.6365000 
1 1 1 5  12 13  o 14.960  0.3104 0.2975000      0.6207000 
1 1 1 5  12 14  o 10.290  0.3410 0.4588000E-01  0.6819000 
1 1 1 5  12 15  o 7.8740  0.4200 -1.074000      0.8400000 
1 1 1 5  12 16  o 9.0580  0.3750 -0.6197000     0.7499000 
1 1 1 5  12 17  o 30.540  0.4507 0.5551000      0.9014000 
1 1 1 5  12 18  o 13.200  0.3746 0.8048000E-01  0.7492000 
1 1 1 5  12 19  o 16.530  0.3364 0.3303000      0.6727000 
1 1 1 5  12 20  o 42.310  0.6003 0.5426000      1.201000  
1 1 1 5  12 21  o 10.980  0.4806 0.7399000      0.9612000 
1 1 1 5  12 22  f 9.3790  0.4557 -0.1122000     0.9114000 
1 1 1 5  12 23  o 9.1890  0.4808 0.5268000      0.9616000 
1 1 1 5  12 24  o 26.430  0.4505 1.020000       0.9010000 
1 1 1 5  12 25  o 27.070  0.4949 1.528000       0.9898000 
1 1 1 5  12 26  o 50.030  0.8160 0.1697000      1.632000  
1 1 1 5  12 27  o 23.380  0.5297 -1.666000      1.059000  
1 1 1 5  12 28  o 44.530  0.7358 -0.6839000     1.472000  
1 1 1 5  12 29  o 23.140  0.5350 -1.732000      1.070000  
1 1 1 5  12 30  o 42.550  0.7093 -0.3419000     1.419000  
1 1 1 5  12 31  o 43.410  0.7262 0.7503000      1.452000  
1 1 1 5  12 32  o 36.320  0.6269 0.7775000      1.254000  
1 1 1 5  12 33  o 32.820  0.5855 -0.3396000     1.171000  
1 1 1 5  12 34  o 6.5720  1.0810 -0.7293000     2.161000  
1 1 1 5  12 35  o 35.270  0.6989 0.6375000      1.398000  
1 1 1 5  12 36  o 18.790  0.5852 2.036000       1.170000  
1 1 1 5  12 37  o 27.450  0.6082 -0.2751000     1.216000  
1 1 1 5  12 38  o 27.020  0.6258 0.5973000      1.252000  
1 1 1 5  12 39  o 4.2380  1.1960 2.217000       2.392000  
1 1 1 5  12 40  o 16.880  0.7561 0.6719000      1.512000  
1 1 1 5  12 41  o 24.580  0.7090 -2.657000      1.418000  
1 1 1 5  12 42  o 16.540  0.8018 0.7352000      1.604000  
1 1 1 5  12 43  o 8.7140  1.3780 1.182000       2.756000  
1 1 1 5  12 44  o 23.340  0.7565 0.7245000      1.513000  
1 1 1 5  12 45  o 8.0610  1.5440 -1.708000      3.087000  
1 1 1 5  12 46  o 39.090  0.8853 -0.6731000E-01 1.771000  
1 1 1 5  12 47  o 28.190  0.7872 -0.8056000     1.574000  
1 1 1 5  12 48  o 8.2520  1.6560 -0.4834000E-01 3.311000  
1 1 1 5  12 49  o 11.790  1.3380 1.022000       2.675000  
1 1 1 5  12 50  o 27.310  0.8312 -0.6429000     1.662000  
1 1 1 5  12 51  o 22.810  0.8778 1.225000       1.756000  
1 1 1 5  12 52  o 27.690  0.8521 -1.432000      1.704000  
1 1 1 5  12 53  o 21.960  0.9316 1.029000       1.863000  
1 1 1 5  12 54  o 14.670  1.1910 0.3590000      2.383000  
1 1 1 5  12 55  o 12.130  1.5080 -1.909000      3.017000  
1 1 1 5  12 56  o 13.340  1.5210 3.362000       3.042000  
1 1 1 5  12 57  o 18.930  1.0860 -1.370000      2.172000  
1 1 1 5  12 58  o 16.770  1.2490 -2.189000      2.498000  
1 1 1 5  12 59  o 6.2480  1.7120 -4.047000      3.423000  
1 1 1 5  12 60  o 17.770  1.2480 -0.8266000     2.496000  
1 1 1 5  12 61  o 14.460  1.5810 1.671000       3.162000  
1 1 1 5  12 62  f 10.050  2.0070 3.403000       4.013000  
1 1 1 5  12 63  f 13.060  1.8320 -3.140000      3.664000  
1 1 1 5  12 64  o 19.500  1.3300 -3.589000      2.659000  
1 1 1 5  12 65  o 8.6100  2.0880 -3.385000      4.176000  
1 1 1 5  12 66  o 8.6520  2.1430 1.195000       4.286000  
1 1 1 5  12 67  o 17.650  1.4390 1.079000       2.877000  
1 1 1 5  12 68  o 14.010  2.5150 -1.587000      5.030000  
1 1 1 5  12 69  o 10.0000 2.1490 -4.842000      4.298000  
1 1 1 5  12 70  o 8.6740  2.2710 -1.763000      4.542000  
1 1 1 5  12 71  o 14.560  2.0490 -0.7061000     4.098000  
1 1 1 5  12 72  o 7.6010  2.2410 1.737000       4.482000  
1 1 1 5  12 73  o 11.400  2.2630 -4.340000      4.527000  
1 1 1 5  12 74  o 15.980  2.1550 -0.9542000     4.310000  
1 1 1 5  12 75  o 10.630  2.5350 0.5244000      5.070000  
1 1 1 5  12 76  o 8.9830  2.4470 0.2261000      4.893000  
1 1 1 5  12 77  o 6.2040  2.0370 -0.2588000     4.074000  
1 1 1 5  12 78  f 7.3160  2.2490 -1.373000      4.497000  
1 1 1 5  12 79  o 6.3460  2.0450 -0.8589000     4.090000  
1 1 1 5  12 80  o 6.1770  2.0420 1.220000       4.084000  
1 1 1 5  12 81  o 6.5370  2.1150 -0.5295000     4.231000  
1 1 1 5  12 82  o 6.9570  2.2040 -0.2293000     4.408000  
1 1 1 5  12 83  o 5.7560  1.9340 -0.8801000     3.869000  
1 1 1 5  12 84  o 7.7050  2.2550 -1.075000      4.510000  
1 1 1 5  12 85  o 5.9200  2.0200 -1.237000      4.040000  
1 1 1 5  12 86  o 5.8630  2.0120 1.670000       4.024000  
1 1 1 5  12 87  o 5.9470  2.0590 -0.4261000     4.117000  
1 1 1 5  12 88  o 5.6210  1.9630 0.3504000      3.926000  
1 1 1 5  12 89  o 4.9940  1.7650 0.3414000      3.530000  
1 1 1 5  12 90  o 5.2030  1.8300 0.1162000E-01  3.659000  
1 1 1 5  12 91  o 5.2480  1.8350 -0.9330000E-01 3.669000  
1 1 1 5  12 92  f 4.8330  1.6850 -0.8141000     3.370000  
1 1 1 5  12 93  o 4.3690  1.5420 0.4342000      3.084000  
1 1 1 5  13 0   o 25.740  0.5458 0.000000       0.000000  
1 1 1 5  13 1   o 40.360  0.5692 0.1695000      1.138000  
1 1 1 5  13 2   o 35.460  0.5440 0.7342000      1.088000  
1 1 1 5  13 3   o 34.070  0.4874 1.517000       0.9747000 
1 1 1 5  13 4   f 30.040  0.4370 -0.1614000     0.8740000 
1 1 1 5  13 5   o 30.890  0.4480 0.9742000      0.8960000 
1 1 1 5  13 6   o 38.700  0.5471 -0.2464000     1.094000  
1 1 1 5  13 7   o 25.150  0.4413 0.2800000      0.8827000 
1 1 1 5  13 8   o 56.200  0.7844 1.352000       1.569000  
1 1 1 5  13 9   o 67.170  0.9337 1.036000       1.867000  
1 1 1 5  13 10  o 50.640  0.7114 0.4078000      1.423000  
1 1 1 5  13 11  o 33.080  0.5529 0.6557000      1.106000  
1 1 1 5  13 12  f 20.650  0.3453 0.2898000      0.6906000 
1 1 1 5  13 13  o 15.490  0.3174 -0.9888000E-01 0.6348000 
1 1 1 5  13 14  o 15.390  0.3257 0.7044000      0.6513000 
1 1 1 5  13 15  o 22.850  0.3670 0.6333000      0.7341000 
1 1 1 5  13 16  o 37.530  0.5370 0.4818000      1.074000  
1 1 1 5  13 17  o 39.120  0.5605 0.8063000      1.121000  
1 1 1 5  13 18  o 17.600  0.3945 0.5026000      0.7890000 
1 1 1 5  13 19  o 11.590  0.3731 -0.1902000     0.7462000 
1 1 1 5  13 20  o 4.2010  0.9030 0.1034000      1.806000  
1 1 1 5  13 21  o 56.500  0.7923 1.288000       1.585000  
1 1 1 5  13 22  o 53.110  0.8069 0.2043000      1.614000  
1 1 1 5  13 23  o 44.790  0.6886 0.7644000      1.377000  
1 1 1 5  13 24  o 56.610  0.8561 0.1953000      1.712000  
1 1 1 5  13 25  o 48.420  0.7955 -3.424000      1.591000  
1 1 1 5  13 26  o 34.300  0.5893 1.350000       1.179000  
1 1 1 5  13 27  o 20.420  0.5250 -0.8073000     1.050000  
1 1 1 5  13 28  f 15.440  0.5397 -0.2700000E-01 1.079000  
1 1 1 5  13 29  o 22.470  0.4748 0.4137000      0.9495000 
1 1 1 5  13 30  f 7.2400  0.8289 -0.5377000     1.658000  
1 1 1 5  13 31  o 48.820  0.8064 0.5856000E-01  1.613000  
1 1 1 5  13 32  o 49.900  0.8231 0.6703000      1.646000  
1 1 1 5  13 33  o 29.580  0.7035 1.490000       1.407000  
1 1 1 5  13 34  o 47.220  0.7845 -0.8926000E-03 1.569000  
1 1 1 5  13 35  o 60.900  0.9919 1.053000       1.984000  
1 1 1 5  13 36  o 29.340  0.5604 -0.7746000     1.121000  
1 1 1 5  13 37  o 47.310  0.7910 -1.274000      1.582000  
1 1 1 5  13 38  o 33.220  0.6895 0.2942000      1.379000  
1 1 1 5  13 39  o 39.400  0.7751 1.720000       1.550000  
1 1 1 5  13 40  o 13.870  0.7414 2.567000       1.483000  
1 1 1 5  13 41  o 9.7220  0.9942 1.919000       1.988000  
1 1 1 5  13 42  o 21.480  0.6576 -2.834000      1.315000  
1 1 1 5  13 43  o 29.320  0.6806 -1.926000      1.361000  
1 1 1 5  13 44  o 12.360  1.0890 -0.2189000     2.178000  
1 1 1 5  13 45  o 6.4720  1.4400 -4.871000      2.880000  
1 1 1 5  13 46  o 23.350  0.7755 -0.2207000     1.551000  
1 1 1 5  13 47  o 11.560  1.5620 -0.2493000     3.124000  
1 1 1 5  13 48  o 11.950  1.2410 -1.773000      2.481000  
1 1 1 5  13 49  o 13.830  1.1790 -3.053000      2.358000  
1 1 1 5  13 50  o 44.830  0.9931 0.7307000E-01  1.986000  
1 1 1 5  13 51  o 29.240  0.8540 1.289000       1.708000  
1 1 1 5  13 52  o 20.640  0.9226 0.8683000      1.845000  
1 1 1 5  13 53  o 11.670  1.5480 2.964000       3.096000  
1 1 1 5  13 54  o 15.300  1.2730 2.387000       2.545000  
1 1 1 5  13 55  o 14.130  1.3990 1.141000       2.797000  
1 1 1 5  13 56  o 12.930  1.5080 1.174000       3.016000  
1 1 1 5  13 57  o 11.730  1.6950 -6.141000      3.389000  
1 1 1 5  13 58  o 11.840  1.7770 -5.261000      3.554000  
1 1 1 5  13 59  o 9.4050  2.0050 0.5823000      4.011000  
1 1 1 5  13 60  o 16.190  1.3970 -3.089000      2.795000  
1 1 1 5  13 61  o 7.4560  1.9690 2.341000       3.938000  
1 1 1 5  13 62  o 8.3210  2.0470 -0.4910000     4.094000  
1 1 1 5  13 63  o 26.110  1.0890 -0.3895000     2.179000  
1 1 1 5  13 64  o 17.180  1.4430 -0.4722000     2.885000  
1 1 1 5  13 65  o 14.650  1.7590 1.224000       3.519000  
1 1 1 5  13 66  o 17.960  1.4870 -1.918000      2.974000  
1 1 1 5  13 67  o 6.1920  1.9440 0.9277000      3.888000  
1 1 1 5  13 68  o 8.0360  2.0730 3.410000       4.146000  
1 1 1 5  13 69  o 19.480  1.4360 0.2167000      2.872000  
1 1 1 5  13 70  f 14.830  1.7960 -1.567000      3.593000  
1 1 1 5  13 71  o 7.7820  2.1140 3.925000       4.228000  
1 1 1 5  13 72  o 8.6470  2.2990 -2.093000      4.597000  
1 1 1 5  13 73  o 6.1850  1.9790 -0.8846000     3.958000  
1 1 1 5  13 74  o 8.2150  2.3350 -1.801000      4.669000  
1 1 1 5  13 75  o 6.6330  3.0100 ?              ?         
1 1 1 5  13 76  o 6.9920  2.1650 0.9333000      4.329000  
1 1 1 5  13 77  f 9.0240  2.3430 4.617000       4.686000  
1 1 1 5  13 78  o 6.6330  2.1350 0.8462000      4.270000  
1 1 1 5  13 79  o 5.5320  1.8750 0.5334000      3.751000  
1 1 1 5  13 80  o 6.6200  2.1240 -0.1427000     4.248000  
1 1 1 5  13 81  o 6.2300  2.0410 0.1955000      4.082000  
1 1 1 5  13 82  o 5.2610  1.7920 -0.6004000E-01 3.585000  
1 1 1 5  13 83  o 6.4260  2.0730 0.4576000      4.147000  
1 1 1 5  13 84  o 5.9230  1.9510 -0.5037000     3.902000  
1 1 1 5  13 85  o 5.7860  1.9480 0.4438000      3.896000  
1 1 1 5  13 86  o 6.1590  2.0360 0.1853000      4.072000  
1 1 1 5  13 87  o 5.0220  1.7340 -0.2516000     3.468000  
1 1 1 5  13 88  o 4.9180  1.7050 0.5008000      3.409000  
1 1 1 5  13 89  o 5.3030  1.8460 0.3438000      3.691000  
1 1 1 5  13 90  o 4.0720  1.4660 -0.5769000E-01 2.933000  
1 1 1 5  13 91  o 3.7480  1.3520 -0.1800000     2.704000  
1 1 1 5  13 92  o 4.5850  1.5960 0.4080000      3.192000  
1 1 1 5  14 0   o 9.9980  0.7317 0.000000       0.000000  
1 1 1 5  14 1   f 33.560  0.4840 0.5704000      0.9681000 
1 1 1 5  14 2   o 40.450  0.5709 -0.9243000     1.142000  
1 1 1 5  14 3   o 27.870  0.5366 0.6252000      1.073000  
1 1 1 5  14 4   o 50.680  0.7078 0.3645000      1.416000  
1 1 1 5  14 5   f 15.530  0.4566 -1.907000      0.9131000 
1 1 1 5  14 6   o 49.100  0.6874 0.9423000      1.375000  
1 1 1 5  14 7   o 35.660  0.5506 1.722000       1.101000  
1 1 1 5  14 8   o 12.270  0.4457 -1.116000      0.8915000 
1 1 1 5  14 9   f 34.670  0.4973 -0.3375000E-01 0.9947000 
1 1 1 5  14 10  o 20.030  0.3715 -1.158000      0.7430000 
1 1 1 5  14 11  o 33.540  0.4857 1.756000       0.9713000 
1 1 1 5  14 12  o 40.180  0.5715 1.710000       1.143000  
1 1 1 5  14 13  o 37.080  0.5324 1.737000       1.065000  
1 1 1 5  14 14  o 37.830  0.5425 0.3160000E-01  1.085000  
1 1 1 5  14 15  o 38.900  0.5557 0.2531000      1.111000  
1 1 1 5  14 16  f 13.690  0.4074 0.8504000      0.8148000 
1 1 1 5  14 17  o 26.970  0.4164 0.1875000      0.8329000 
1 1 1 5  14 18  o 15.410  0.3869 -1.259000      0.7738000 
1 1 1 5  14 19  o 44.640  0.6352 0.1390000      1.270000  
1 1 1 5  14 20  o 9.8610  0.5051 -0.6852000     1.010000  
1 1 1 5  14 21  o 16.070  0.3613 0.7582000E-02  0.7226000 
1 1 1 5  14 22  o 61.350  0.8571 -0.1685000     1.714000  
1 1 1 5  14 23  o 13.190  0.5463 -2.792000      1.093000  
1 1 1 5  14 24  o 31.190  0.5125 -0.4323000     1.025000  
1 1 1 5  14 25  o 34.820  0.5597 0.4718000      1.119000  
1 1 1 5  14 26  f 24.920  0.4515 0.7943000      0.9031000 
1 1 1 5  14 27  o 26.920  0.4724 -0.2912000     0.9447000 
1 1 1 5  14 28  f 31.460  0.5588 0.6521000      1.118000  
1 1 1 5  14 29  o 32.410  0.5769 0.3217000      1.154000  
1 1 1 5  14 30  o 14.370  0.6173 -0.5252000     1.235000  
1 1 1 5  14 31  o 59.680  0.9724 -1.906000      1.945000  
1 1 1 5  14 32  o 35.490  0.6252 1.232000       1.250000  
1 1 1 5  14 33  o 23.690  0.5926 0.7980000      1.185000  
1 1 1 5  14 34  f 33.300  0.6000 -0.9607000     1.200000  
1 1 1 5  14 35  o 20.930  0.5093 0.1798000      1.019000  
1 1 1 5  14 36  o 20.270  0.5317 0.1057000      1.063000  
1 1 1 5  14 37  o 34.950  0.6295 -1.013000      1.259000  
1 1 1 5  14 38  o 32.770  0.6044 0.6158000      1.209000  
1 1 1 5  14 39  o 9.2410  1.0270 -2.570000      2.053000  
1 1 1 5  14 40  f 26.660  0.5655 -0.8006000     1.131000  
1 1 1 5  14 41  o 42.130  0.7307 0.4502000      1.461000  
1 1 1 5  14 42  o 20.220  0.7914 ?              ?         
1 1 1 5  14 43  o 43.990  0.8562 -1.010000      1.712000  
1 1 1 5  14 44  o 20.020  0.7422 -3.315000      1.484000  
1 1 1 5  14 45  o 21.010  0.7122 -0.3489000     1.424000  
1 1 1 5  14 46  o 9.8740  1.2340 -0.8696000     2.467000  
1 1 1 5  14 47  o 35.880  0.7723 0.9820000      1.545000  
1 1 1 5  14 48  o 39.360  0.9063 -0.6013000E-01 1.813000  
1 1 1 5  14 49  o 20.190  0.9318 3.117000       1.864000  
1 1 1 5  14 50  o 6.9770  1.7740 -1.121000      3.548000  
1 1 1 5  14 51  o 7.7300  1.8030 0.1009000      3.605000  
1 1 1 5  14 52  o 21.230  0.9292 0.3987000      1.858000  
1 1 1 5  14 53  o 21.890  1.1770 -1.565000      2.354000  
1 1 1 5  14 54  o 13.640  1.3630 -1.465000      2.725000  
1 1 1 5  14 55  o 10.550  1.7340 -4.605000      3.468000  
1 1 1 5  14 56  o 28.370  0.9517 1.121000       1.903000  
1 1 1 5  14 57  o 8.5890  1.8380 4.903000       3.676000  
1 1 1 5  14 58  o 9.5250  1.9640 2.219000       3.927000  
1 1 1 5  14 59  o 6.5380  1.8920 -0.2836000     3.784000  
1 1 1 5  14 60  o 8.6670  2.0540 -1.665000      4.108000  
1 1 1 5  14 61  o 7.0620  2.0130 -0.9765000E-01 4.027000  
1 1 1 5  14 62  o 6.1500  1.8870 1.501000       3.774000  
1 1 1 5  14 63  o 12.440  1.9530 1.016000       3.907000  
1 1 1 5  14 64  o 11.610  2.0030 -1.409000      4.006000  
1 1 1 5  14 65  o 7.1550  2.0380 0.8901000      4.076000  
1 1 1 5  14 66  f 5.3910  1.7680 1.407000       3.536000  
1 1 1 5  14 67  o 11.520  2.0810 -0.3626000     4.162000  
1 1 1 5  14 68  o 21.520  1.2970 -3.887000      2.595000  
1 1 1 5  14 69  o 6.0090  1.9350 0.8568000E-01  3.870000  
1 1 1 5  14 70  o 8.6030  2.2480 1.581000       4.496000  
1 1 1 5  14 71  o 8.1130  2.2090 -1.444000      4.418000  
1 1 1 5  14 72  o 6.9240  2.0900 0.4420000      4.180000  
1 1 1 5  14 73  o 9.1920  2.2770 -0.4919000     4.554000  
1 1 1 5  14 74  o 8.8080  2.2950 0.7608000      4.590000  
1 1 1 5  14 75  o 6.9960  2.0780 1.938000       4.156000  
1 1 1 5  14 76  o 9.2800  2.2920 -0.2474000     4.583000  
1 1 1 5  14 77  o 6.4390  2.0440 -1.866000      4.087000  
1 1 1 5  14 78  f 6.4120  2.0350 -1.531000      4.070000  
1 1 1 5  14 79  f 6.2040  1.9960 -1.889000      3.991000  
1 1 1 5  14 80  o 5.2530  1.7980 0.4499000      3.595000  
1 1 1 5  14 81  o 6.1410  1.9490 -1.330000      3.898000  
1 1 1 5  14 82  o 4.9810  1.7220 0.5906000E-02  3.444000  
1 1 1 5  14 83  o 6.2060  2.8330 ?              ?         
1 1 1 5  14 84  o 5.5720  1.8770 0.6008000E-01  3.754000  
1 1 1 5  14 85  o 5.1600  1.7600 1.430000       3.521000  
1 1 1 5  14 86  o 5.0480  1.7250 -0.9414000     3.450000  
1 1 1 5  14 87  o 4.2990  1.5210 0.1650000      3.041000  
1 1 1 5  14 88  o 5.0510  1.7380 1.458000       3.476000  
1 1 1 5  14 89  o 3.5080  1.2520 -0.2149000     2.504000  
1 1 1 5  14 90  o 3.9010  1.3630 0.4388000      2.726000  
1 1 1 5  15 0   o 46.840  0.9268 0.000000       0.000000  
1 1 1 5  15 1   o 29.300  0.4690 -0.1077000     0.9380000 
1 1 1 5  15 2   o 26.070  0.4294 0.6473000E-01  0.8587000 
1 1 1 5  15 3   o 21.450  0.4103 1.547000       0.8205000 
1 1 1 5  15 4   o 35.810  0.5557 0.4684000      1.111000  
1 1 1 5  15 5   o 60.040  0.8337 0.7359000      1.667000  
1 1 1 5  15 6   o 24.000  0.4418 -1.105000      0.8837000 
1 1 1 5  15 7   o 42.760  0.6032 0.6750000      1.206000  
1 1 1 5  15 8   o 7.6040  0.7293 -0.5486000     1.459000  
1 1 1 5  15 9   o 10.760  0.3754 0.1702000      0.7509000 
1 1 1 5  15 10  o 8.4420  0.5210 -0.4085000     1.042000  
1 1 1 5  15 11  o 38.340  0.5500 0.8120000      1.100000  
1 1 1 5  15 12  o 27.500  0.5486 -2.175000      1.097000  
1 1 1 5  15 13  f 56.950  0.7940 1.560000       1.588000  
1 1 1 5  15 14  o 24.060  0.4523 -3.723000      0.9046000 
1 1 1 5  15 15  o 18.330  0.4093 2.780000       0.8186000 
1 1 1 5  15 16  o 40.660  0.5798 0.4051000      1.160000  
1 1 1 5  15 17  o 20.850  0.4351 -1.118000      0.8701000 
1 1 1 5  15 18  o 53.170  0.7464 1.422000       1.493000  
1 1 1 5  15 19  o 42.130  0.6047 1.200000       1.209000  
1 1 1 5  15 20  o 31.490  0.5164 -1.886000      1.033000  
1 1 1 5  15 21  o 36.390  0.5325 -0.3125000     1.065000  
1 1 1 5  15 22  o 46.880  0.6649 -0.8890000     1.330000  
1 1 1 5  15 23  f 40.890  0.5903 -0.4761000     1.181000  
1 1 1 5  15 24  o 5.7450  0.9529 -0.3360000     1.906000  
1 1 1 5  15 25  o 23.090  0.4447 0.3044000      0.8893000 
1 1 1 5  15 26  o 41.290  0.6470 -0.2814000     1.294000  
1 1 1 5  15 27  o 44.750  0.6948 -1.437000      1.390000  
1 1 1 5  15 28  o 38.250  0.6098 0.5422000      1.220000  
1 1 1 5  15 29  o 22.190  0.6217 -0.9455000     1.243000  
1 1 1 5  15 30  o 22.540  0.5020 -0.9665000     1.004000  
1 1 1 5  15 31  o 24.280  0.5184 0.3843000E-01  1.037000  
1 1 1 5  15 32  f 17.990  0.6113 -0.8445000     1.223000  
1 1 1 5  15 33  o 22.900  0.5029 -1.094000      1.006000  
1 1 1 5  15 34  o 28.470  0.5572 -0.1282000     1.114000  
1 1 1 5  15 35  o 30.850  0.5904 1.641000       1.181000  
1 1 1 5  15 36  o 24.180  0.5351 -0.3903000     1.070000  
1 1 1 5  15 37  o 15.690  0.5603 0.4175000      1.121000  
1 1 1 5  15 38  o 5.0030  1.1790 1.785000       2.358000  
1 1 1 5  15 39  f 12.460  0.6743 -0.8863000     1.349000  
1 1 1 5  15 40  f 49.310  0.8272 0.1608000E-01  1.654000  
1 1 1 5  15 41  o 15.310  0.6215 1.223000       1.243000  
1 1 1 5  15 42  o 18.600  0.8239 -1.663000      1.648000  
1 1 1 5  15 43  o 24.960  0.6778 1.982000       1.356000  
1 1 1 5  15 44  o 19.080  0.5950 -1.130000      1.190000  
1 1 1 5  15 45  o 17.930  0.6234 -0.8674000     1.247000  
1 1 1 5  15 46  o 25.390  0.7195 -0.4151000     1.439000  
1 1 1 5  15 47  o 11.970  1.0970 -1.095000      2.195000  
1 1 1 5  15 48  o 11.760  1.2200 -3.092000      2.441000  
1 1 1 5  15 49  o 8.0720  1.4870 -2.006000      2.974000  
1 1 1 5  15 50  o 22.020  0.7680 -0.5453000     1.536000  
1 1 1 5  15 51  o 31.080  0.7837 0.9937000      1.567000  
1 1 1 5  15 52  o 43.080  0.9968 0.7122000      1.994000  
1 1 1 5  15 53  o 19.410  1.0780 1.835000       2.156000  
1 1 1 5  15 54  o 13.920  1.4260 0.6140000      2.853000  
1 1 1 5  15 55  o 7.3270  1.9100 0.6400000      3.819000  
1 1 1 5  15 56  o 10.490  1.8720 -2.209000      3.744000  
1 1 1 5  15 57  o 13.610  1.5700 -0.2365000     3.141000  
1 1 1 5  15 58  o 14.940  1.4450 2.430000       2.890000  
1 1 1 5  15 59  o 7.0390  2.1030 -1.659000      4.205000  
1 1 1 5  15 60  o 7.2550  1.9560 -1.854000      3.912000  
1 1 1 5  15 61  o 13.800  1.7520 4.739000       3.505000  
1 1 1 5  15 62  o 13.550  1.7340 1.408000       3.468000  
1 1 1 5  15 63  o 5.8600  1.8290 -2.474000      3.658000  
1 1 1 5  15 64  o 6.0130  1.8570 1.541000       3.714000  
1 1 1 5  15 65  o 16.330  1.5180 -1.284000      3.035000  
1 1 1 5  15 66  o 6.2760  1.9300 0.3973000      3.861000  
1 1 1 5  15 67  o 6.6060  1.9300 3.442000       3.861000  
1 1 1 5  15 68  o 6.7010  2.0320 -0.5690000     4.064000  
1 1 1 5  15 69  o 8.1940  2.1580 2.483000       4.316000  
1 1 1 5  15 70  o 7.7560  2.1100 2.255000       4.221000  
1 1 1 5  15 71  o 5.3210  1.7760 -0.9739000     3.551000  
1 1 1 5  15 72  o 5.3530  1.7860 -0.6358000     3.573000  
1 1 1 5  15 73  o 5.4470  1.8170 -1.175000      3.633000  
1 1 1 5  15 74  o 7.0070  2.9730 ?              ?         
1 1 1 5  15 75  o 4.8650  1.6790 0.2817000      3.359000  
1 1 1 5  15 76  o 6.2830  2.0180 -0.6668000     4.037000  
1 1 1 5  15 77  o 6.3400  2.0260 0.6829000      4.053000  
1 1 1 5  15 78  o 5.7500  1.8700 0.8576000      3.740000  
1 1 1 5  15 79  o 6.3570  1.9870 0.4507000      3.973000  
1 1 1 5  15 80  o 5.2980  1.7700 -0.4218000E-01 3.539000  
1 1 1 5  15 81  o 5.1770  1.7430 -0.2561000     3.487000  
1 1 1 5  15 82  o 5.6400  1.9010 -0.5450000     3.802000  
1 1 1 5  15 83  o 6.1630  2.0330 0.8575000      4.066000  
1 1 1 5  15 84  o 4.6900  1.6410 -0.3575000     3.282000  
1 1 1 5  15 85  f 4.6410  1.6210 0.7721000      3.242000  
1 1 1 5  15 86  o 4.6650  1.6170 -0.7620000     3.234000  
1 1 1 5  15 87  o 4.4400  1.5470 0.3596000      3.094000  
1 1 1 5  15 88  o 5.1930  1.6760 -0.1286000     3.351000  
1 1 1 5  15 89  o 4.2720  1.5040 0.3136000      3.008000  
1 1 1 5  16 0   o 40.810  0.8214 0.000000       0.000000  
1 1 1 5  16 1   o 44.490  0.6763 1.842000       1.353000  
1 1 1 5  16 2   o 39.780  0.5657 -2.486000      1.131000  
1 1 1 5  16 3   o 34.860  0.5035 -0.2788000     1.007000  
1 1 1 5  16 4   o 20.110  0.3773 1.052000       0.7547000 
1 1 1 5  16 5   o 11.260  0.4090 -0.3044000     0.8179000 
1 1 1 5  16 6   o 30.540  0.4516 1.688000       0.9032000 
1 1 1 5  16 7   o 41.290  0.5870 1.160000       1.174000  
1 1 1 5  16 8   o 34.670  0.5842 -2.662000      1.168000  
1 1 1 5  16 9   o 61.890  0.8617 -0.5003000     1.723000  
1 1 1 5  16 10  o 57.580  0.8076 1.362000       1.615000  
1 1 1 5  16 11  o 38.600  0.6445 -3.072000      1.289000  
1 1 1 5  16 12  o 47.360  0.6665 0.6866000      1.333000  
1 1 1 5  16 13  o 48.010  0.6776 1.771000       1.355000  
1 1 1 5  16 14  o 32.850  0.5647 -0.7733000     1.129000  
1 1 1 5  16 15  o 17.750  0.5292 -1.863000      1.058000  
1 1 1 5  16 16  o 47.560  0.6725 1.795000       1.345000  
1 1 1 5  16 17  o 42.910  0.7082 0.8865000      1.416000  
1 1 1 5  16 18  o 19.650  0.4451 -1.161000      0.8902000 
1 1 1 5  16 19  o 46.100  0.6555 0.9255000      1.311000  
1 1 1 5  16 20  o 23.800  0.4491 -0.5826000     0.8981000 
1 1 1 5  16 21  o 29.600  0.5024 -0.3501000     1.005000  
1 1 1 5  16 22  o 39.840  0.5787 -0.2172000     1.157000  
1 1 1 5  16 23  o 5.7850  0.9016 -4.234000      1.803000  
1 1 1 5  16 24  o 36.870  0.5475 0.3808000      1.095000  
1 1 1 5  16 25  o 58.850  0.8285 0.1928000      1.657000  
1 1 1 5  16 26  o 23.990  0.5426 1.941000       1.085000  
1 1 1 5  16 27  o 54.690  0.8352 0.9204000      1.670000  
1 1 1 5  16 28  o 24.620  0.5584 1.027000       1.117000  
1 1 1 5  16 29  o 41.490  0.6559 -1.233000      1.312000  
1 1 1 5  16 30  o 26.970  0.4922 -0.1244000     0.9843000 
1 1 1 5  16 31  o 22.150  0.5163 0.9211000      1.033000  
1 1 1 5  16 32  o 22.770  0.5151 0.7286000      1.030000  
1 1 1 5  16 33  o 29.750  0.5801 0.7205000      1.160000  
1 1 1 5  16 34  o 11.470  0.7888 4.321000       1.578000  
1 1 1 5  16 35  o 14.520  0.5777 0.6169000      1.155000  
1 1 1 5  16 36  o 24.550  0.5337 -0.8245000     1.067000  
1 1 1 5  16 37  o 19.660  0.5472 0.4773000      1.094000  
1 1 1 5  16 38  o 9.7060  0.8477 1.827000       1.695000  
1 1 1 5  16 39  o 7.0880  1.1310 0.8223000      2.262000  
1 1 1 5  16 40  o 45.860  0.7850 -0.3756000     1.570000  
1 1 1 5  16 41  o 22.930  0.6456 -2.472000      1.291000  
1 1 1 5  16 42  o 16.220  0.6313 1.192000       1.263000  
1 1 1 5  16 43  o 24.820  0.5855 -0.5306000     1.171000  
1 1 1 5  16 44  o 24.560  0.8025 -1.398000      1.605000  
1 1 1 5  16 45  o 19.180  0.6135 0.6113000      1.227000  
1 1 1 5  16 46  o 11.420  0.8887 -1.575000      1.777000  
1 1 1 5  16 47  o 22.860  0.6340 -1.736000      1.268000  
1 1 1 5  16 48  o 17.900  0.6865 -0.2661000     1.373000  
1 1 1 5  16 49  o 18.450  0.6696 -1.924000      1.339000  
1 1 1 5  16 50  o 36.480  0.8296 -0.8097000     1.659000  
1 1 1 5  16 51  f 13.380  1.1100 3.808000       2.221000  
1 1 1 5  16 52  o 9.9910  1.4440 -0.9743000     2.888000  
1 1 1 5  16 53  o 20.290  0.8461 0.9180000      1.692000  
1 1 1 5  16 54  f 11.450  1.3190 2.929000       2.637000  
1 1 1 5  16 55  o 12.440  1.3290 -2.783000      2.658000  
1 1 1 5  16 56  o 6.7720  1.8860 1.188000       3.773000  
1 1 1 5  16 57  o 19.530  1.1530 0.4732000      2.306000  
1 1 1 5  16 58  o 6.2330  1.8520 -0.9475000     3.704000  
1 1 1 5  16 59  o 18.710  1.2080 -2.294000      2.415000  
1 1 1 5  16 60  o 7.3850  2.0040 -1.859000      4.007000  
1 1 1 5  16 61  o 6.9720  1.9580 1.959000       3.917000  
1 1 1 5  16 62  o 9.6330  2.0810 -0.4340000     4.162000  
1 1 1 5  16 63  f 7.0410  1.9600 2.391000       3.919000  
1 1 1 5  16 64  o 10.890  2.0120 -1.051000      4.023000  
1 1 1 5  16 65  o 6.4710  1.9040 -2.451000      3.809000  
1 1 1 5  16 66  o 8.9290  2.3500 0.5454000      4.699000  
1 1 1 5  16 67  o 5.8920  1.8670 0.5211000      3.734000  
1 1 1 5  16 68  o 6.5670  1.9870 0.3366000E-02  3.974000  
1 1 1 5  16 69  o 6.2330  1.9560 0.3912000      3.912000  
1 1 1 5  16 70  o 6.3800  1.9130 -2.761000      3.825000  
1 1 1 5  16 71  o 5.9970  1.9220 0.1678000      3.844000  
1 1 1 5  16 72  o 9.8420  2.2900 -1.684000      4.580000  
1 1 1 5  16 73  o 6.5580  2.0430 1.636000       4.086000  
1 1 1 5  16 74  o 6.6140  2.0710 -0.9098000     4.142000  
1 1 1 5  16 75  o 6.9550  2.1290 -0.2844000     4.258000  
1 1 1 5  16 76  o 8.9590  2.2650 0.6031000      4.531000  
1 1 1 5  16 77  o 6.0350  1.9040 -0.2620000     3.808000  
1 1 1 5  16 78  o 4.9100  1.6760 -0.2441000     3.352000  
1 1 1 5  16 79  o 5.4240  1.8040 0.8464000      3.608000  
1 1 1 5  16 80  f 5.3150  1.7640 1.390000       3.528000  
1 1 1 5  16 81  o 5.0560  1.7240 0.2187000      3.448000  
1 1 1 5  16 82  o 4.8120  1.6570 0.6359000E-01  3.313000  
1 1 1 5  16 83  o 4.8080  1.6470 0.3254000      3.294000  
1 1 1 5  16 84  o 4.4870  1.5630 -0.8181000     3.125000  
1 1 1 5  16 85  o 5.0210  1.6730 0.7792000      3.347000  
1 1 1 5  16 86  o 3.5480  1.2650 0.2485000      2.530000  
1 1 1 5  16 87  o 4.0820  1.4540 0.2748000      2.907000  
1 1 1 5  16 88  o 4.3660  2.1740 ?              ?         
1 1 1 5  17 0   o 29.310  0.8865 0.000000       0.000000  
1 1 1 5  17 1   o 42.860  0.6067 0.6522000      1.213000  
1 1 1 5  17 2   o 16.560  0.4563 -1.206000      0.9126000 
1 1 1 5  17 3   o 21.150  0.3952 -0.3062000     0.7904000 
1 1 1 5  17 4   o 30.060  0.4502 0.3022000      0.9003000 
1 1 1 5  17 5   o 31.190  0.4645 -0.6652000E-01 0.9289000 
1 1 1 5  17 6   o 28.970  0.4415 0.8928000      0.8829000 
1 1 1 5  17 7   o 14.820  0.3976 -0.4136000     0.7952000 
1 1 1 5  17 8   o 15.520  0.3875 -0.6391000     0.7750000 
1 1 1 5  17 9   o 37.330  0.5419 1.724000       1.084000  
1 1 1 5  17 10  o 58.020  0.8095 1.420000       1.619000  
1 1 1 5  17 11  o 31.070  0.5435 -0.9139000     1.087000  
1 1 1 5  17 12  o 28.520  0.4390 -0.2101000     0.8781000 
1 1 1 5  17 13  f 32.200  0.4794 -0.6921000     0.9589000 
1 1 1 5  17 14  o 22.340  0.5041 -2.566000      1.008000  
1 1 1 5  17 15  o 28.160  0.4404 0.4354000      0.8808000 
1 1 1 5  17 16  o 19.120  0.4222 0.1628000E-01  0.8445000 
1 1 1 5  17 17  o 23.660  0.4355 0.5464000      0.8710000 
1 1 1 5  17 18  o 53.480  0.7536 1.893000       1.507000  
1 1 1 5  17 19  o 32.690  0.5345 1.733000       1.069000  
1 1 1 5  17 20  o 13.630  0.5511 -0.2889000     1.102000  
1 1 1 5  17 21  o 25.420  0.4309 0.1724000      0.8617000 
1 1 1 5  17 22  o 11.730  0.5701 0.4984000      1.140000  
1 1 1 5  17 23  o 19.540  0.4051 0.3223000      0.8103000 
1 1 1 5  17 24  f 8.1830  0.9061 3.408000       1.812000  
1 1 1 5  17 25  o 43.420  0.6284 0.6843000      1.257000  
1 1 1 5  17 26  o 44.420  0.6410 -0.9850000E-01 1.282000  
1 1 1 5  17 27  o 40.650  0.5976 0.7068000E-01  1.195000  
1 1 1 5  17 28  o 16.640  0.5712 1.014000       1.142000  
1 1 1 5  17 29  o 8.3460  0.7392 0.3701000      1.478000  
1 1 1 5  17 30  o 18.300  0.4783 1.098000       0.9566000 
1 1 1 5  17 31  o 36.660  0.6023 -2.515000      1.205000  
1 1 1 5  17 32  o 48.070  0.8060 -0.3971000     1.612000  
1 1 1 5  17 33  o 29.870  0.6386 1.854000       1.277000  
1 1 1 5  17 34  o 25.580  0.6030 2.244000       1.206000  
1 1 1 5  17 35  o 33.480  0.6198 -0.3306000     1.240000  
1 1 1 5  17 36  o 9.5790  0.8589 1.408000       1.718000  
1 1 1 5  17 37  o 11.290  0.7430 2.178000       1.486000  
1 1 1 5  17 38  o 29.420  0.5889 -1.069000      1.178000  
1 1 1 5  17 39  o 6.6840  1.1730 3.231000       2.345000  
1 1 1 5  17 40  o 31.340  0.6148 0.9718000E-01  1.230000  
1 1 1 5  17 41  o 24.370  0.5946 -0.5551000     1.189000  
1 1 1 5  17 42  o 35.860  0.6705 -0.3490000     1.341000  
1 1 1 5  17 43  o 5.7430  1.3620 0.3342000      2.723000  
1 1 1 5  17 44  o 10.960  0.9517 -2.473000      1.903000  
1 1 1 5  17 45  o 33.580  0.6619 -0.5868000     1.324000  
1 1 1 5  17 46  o 14.530  0.7614 2.429000       1.523000  
1 1 1 5  17 47  o 13.180  0.8197 0.7334000E-01  1.639000  
1 1 1 5  17 48  o 9.9580  1.0820 -0.8170000E-01 2.164000  
1 1 1 5  17 49  o 9.1800  1.1920 -1.059000      2.384000  
1 1 1 5  17 50  o 21.000  0.6857 0.5241000      1.371000  
1 1 1 5  17 51  o 9.7450  1.2130 -2.505000      2.425000  
1 1 1 5  17 52  o 25.530  0.6684 -0.9984000     1.337000  
1 1 1 5  17 53  o 5.8900  1.4450 -1.297000      2.891000  
1 1 1 5  17 54  o 23.850  0.8395 0.6260000E-01  1.679000  
1 1 1 5  17 55  o 31.710  0.8453 -0.9603000     1.691000  
1 1 1 5  17 56  o 9.0260  1.5500 -3.816000      3.100000  
1 1 1 5  17 57  o 4.4380  1.4450 0.8425000      2.891000  
1 1 1 5  17 58  o 16.480  1.0790 -0.1542000     2.159000  
1 1 1 5  17 59  o 7.1500  1.7030 -0.9791000     3.406000  
1 1 1 5  17 60  o 7.5880  1.7430 1.578000       3.486000  
1 1 1 5  17 61  o 10.470  1.9570 -1.646000      3.913000  
1 1 1 5  17 62  o 7.2680  1.9970 -1.863000      3.994000  
1 1 1 5  17 63  o 7.0120  1.9450 -3.451000      3.891000  
1 1 1 5  17 64  o 7.0430  2.0130 -0.9183000     4.026000  
1 1 1 5  17 65  o 13.070  1.8720 1.094000       3.745000  
1 1 1 5  17 66  o 6.9150  2.0020 1.348000       4.003000  
1 1 1 5  17 67  o 7.4710  2.0900 -0.9160000     4.180000  
1 1 1 5  17 68  f 5.9550  1.8820 -1.615000      3.764000  
1 1 1 5  17 69  o 7.2570  2.0820 -0.8830000     4.165000  
1 1 1 5  17 70  f 8.5920  2.2120 -1.151000      4.424000  
1 1 1 5  17 71  f 5.7500  1.8560 0.8129000      3.712000  
1 1 1 5  17 72  o 8.4010  2.1860 -1.607000      4.373000  
1 1 1 5  17 73  o 8.6070  2.4200 0.1118000      4.840000  
1 1 1 5  17 74  o 5.9720  1.9840 -0.1998000     3.967000  
1 1 1 5  17 75  o 6.8150  2.0180 -1.875000      4.035000  
1 1 1 5  17 76  o 6.1990  1.9230 -1.806000      3.845000  
1 1 1 5  17 77  f 5.4360  1.8080 -0.3736000     3.616000  
1 1 1 5  17 78  o 6.0070  1.9260 -1.509000      3.851000  
1 1 1 5  17 79  f 5.3710  1.7780 2.234000       3.555000  
1 1 1 5  17 80  o 4.5460  1.5830 -0.3472000     3.166000  
1 1 1 5  17 81  o 4.1380  1.4500 0.3521000      2.901000  
1 1 1 5  17 82  o 4.2740  1.4890 0.9086000      2.978000  
1 1 1 5  17 83  o 4.3460  1.5050 -0.5830000     3.010000  
1 1 1 5  17 84  o 3.7290  1.2980 0.2147000      2.596000  
1 1 1 5  17 85  o 4.3050  1.4810 0.3425000      2.962000  
1 1 1 5  17 86  o 4.3210  2.1590 ?              ?         
1 1 1 5  18 0   o 11.830  0.6926 0.000000       0.000000  
1 1 1 5  18 1   o 19.500  0.4525 1.322000       0.9051000 
1 1 1 5  18 2   o 40.320  0.5804 2.445000       1.161000  
1 1 1 5  18 3   o 47.090  0.6649 0.6806000      1.330000  
1 1 1 5  18 4   o 33.870  0.5411 3.149000       1.082000  
1 1 1 5  18 5   o 33.880  0.5002 -1.546000      1.000000  
1 1 1 5  18 6   o 15.710  0.5035 -0.3221000     1.007000  
1 1 1 5  18 7   o 32.290  0.4811 -0.1265000     0.9621000 
1 1 1 5  18 8   f 26.010  0.5420 -4.191000      1.084000  
1 1 1 5  18 9   o 34.280  0.5057 0.4112000      1.011000  
1 1 1 5  18 10  f 31.880  0.4804 -0.1972000     0.9608000 
1 1 1 5  18 11  o 23.100  0.3981 -1.273000      0.7963000 
1 1 1 5  18 12  o 20.350  0.4249 -0.5845000     0.8499000 
1 1 1 5  18 13  o 21.630  0.5207 -2.990000      1.041000  
1 1 1 5  18 14  o 40.940  0.5900 1.916000       1.180000  
1 1 1 5  18 15  o 23.050  0.5196 0.5389000      1.039000  
1 1 1 5  18 16  o 23.040  0.4072 0.3703000      0.8144000 
1 1 1 5  18 17  o 34.300  0.5138 0.2560000      1.028000  
1 1 1 5  18 18  o 25.220  0.4979 -2.051000      0.9959000 
1 1 1 5  18 19  o 55.050  0.7769 0.3911000      1.554000  
1 1 1 5  18 20  o 16.090  0.5479 -0.1957000     1.096000  
1 1 1 5  18 21  o 17.190  0.4490 -1.131000      0.8979000 
1 1 1 5  18 22  o 46.860  0.6735 0.8367000      1.347000  
1 1 1 5  18 23  o 19.270  0.5089 -1.786000      1.018000  
1 1 1 5  18 24  o 25.550  0.4432 -1.213000      0.8864000 
1 1 1 5  18 25  o 32.990  0.5102 0.1594000      1.020000  
1 1 1 5  18 26  f 39.250  0.5813 0.4044000      1.163000  
1 1 1 5  18 27  o 16.990  0.4738 1.123000       0.9476000 
1 1 1 5  18 28  o 7.2310  0.8214 -0.9595000     1.643000  
1 1 1 5  18 29  o 4.6840  1.1190 0.2990000      2.238000  
1 1 1 5  18 30  o 12.900  0.5622 -1.033000      1.124000  
1 1 1 5  18 31  o 8.4830  0.8047 -0.2773000     1.609000  
1 1 1 5  18 32  o 11.770  0.6242 -0.1715000     1.248000  
1 1 1 5  18 33  o 24.360  0.5372 0.2191000      1.074000  
1 1 1 5  18 34  o 21.540  0.5428 -0.5481000     1.086000  
1 1 1 5  18 35  o 28.870  0.5819 0.9445000      1.164000  
1 1 1 5  18 36  o 9.4900  0.9726 -2.486000      1.945000  
1 1 1 5  18 37  o 29.860  0.6024 1.139000       1.205000  
1 1 1 5  18 38  o 31.460  0.6170 0.7124000      1.234000  
1 1 1 5  18 39  o 15.620  0.6637 -0.4791000     1.327000  
1 1 1 5  18 40  o 12.260  0.8006 0.3246000      1.601000  
1 1 1 5  18 41  o 23.600  0.5905 -0.6478000     1.181000  
1 1 1 5  18 42  o 10.680  0.9401 0.3724000      1.880000  
1 1 1 5  18 43  o 34.080  0.6655 -1.454000      1.331000  
1 1 1 5  18 44  o 19.650  0.6553 0.6632000      1.311000  
1 1 1 5  18 45  o 13.600  0.8075 -0.1978000E-01 1.615000  
1 1 1 5  18 46  o 23.640  0.6313 -0.2800000     1.263000  
1 1 1 5  18 47  o 22.140  0.6655 0.7450000      1.331000  
1 1 1 5  18 48  f 25.560  0.6532 0.9114000      1.306000  
1 1 1 5  18 49  o 8.9300  1.2930 2.664000       2.586000  
1 1 1 5  18 50  o 34.560  0.6979 -1.069000      1.396000  
1 1 1 5  18 51  o 4.8860  1.3410 2.491000       2.683000  
1 1 1 5  18 52  o 9.8600  1.1530 -0.7489000     2.305000  
1 1 1 5  18 53  o 10.160  1.1790 -2.393000      2.359000  
1 1 1 5  18 54  o 14.040  0.8889 -0.8728000     1.778000  
1 1 1 5  18 55  o 9.0340  1.2580 -1.481000      2.517000  
1 1 1 5  18 56  o 6.9410  1.4720 0.2427000      2.944000  
1 1 1 5  18 57  o 11.310  1.1180 2.218000       2.236000  
1 1 1 5  18 58  o 11.290  1.0660 -1.610000      2.132000  
1 1 1 5  18 59  o 9.6090  1.6710 2.333000       3.343000  
1 1 1 5  18 60  o 6.7420  1.7560 2.006000       3.512000  
1 1 1 5  18 61  o 6.5130  1.5090 -3.558000      3.018000  
1 1 1 5  18 62  o 8.0630  1.7640 1.496000       3.528000  
1 1 1 5  18 63  o 8.5020  1.6670 -2.824000      3.334000  
1 1 1 5  18 64  o 6.0330  1.6150 -1.598000      3.229000  
1 1 1 5  18 65  o 9.8640  1.6600 -2.699000      3.319000  
1 1 1 5  18 66  o 11.460  1.8840 -6.930000      3.768000  
1 1 1 5  18 67  o 5.4670  1.7720 0.7225000      3.543000  
1 1 1 5  18 68  f 4.8320  1.6450 -0.9478000     3.289000  
1 1 1 5  18 69  o 5.6460  1.8240 -1.020000      3.648000  
1 1 1 5  18 70  o 5.6730  1.8290 0.3157000      3.659000  
1 1 1 5  18 71  o 5.9690  1.8960 -0.5309000     3.792000  
1 1 1 5  18 72  o 5.0700  1.6980 0.5914000      3.396000  
1 1 1 5  18 73  o 5.6090  1.7980 -2.433000      3.596000  
1 1 1 5  18 74  o 6.5300  1.9960 -0.5149000E-01 3.991000  
1 1 1 5  18 75  o 6.7000  2.0370 1.027000       4.074000  
1 1 1 5  18 76  o 5.0400  1.7170 -0.1804000     3.433000  
1 1 1 5  18 77  o 5.6810  1.8450 -1.815000      3.690000  
1 1 1 5  18 78  o 4.5480  1.5750 -0.3369000     3.150000  
1 1 1 5  18 79  o 5.2400  1.7180 -1.193000      3.436000  
1 1 1 5  18 80  o 4.1160  1.4330 -0.4722000     2.866000  
1 1 1 5  18 81  o 4.5340  1.5470 1.314000       3.095000  
1 1 1 5  18 82  o 4.0200  1.3940 -0.2058000E-01 2.788000  
1 1 1 5  18 83  o 4.8590  1.6200 0.9256000      3.241000  
1 1 1 5  18 84  o 4.4670  2.1960 ?              ?         
1 1 1 5  19 0   o 15.790  0.7459 0.000000       0.000000  
1 1 1 5  19 1   f 21.170  0.4518 -0.3874000     0.9035000 
1 1 1 5  19 2   o 29.300  0.4499 0.7099000E-01  0.8998000 
1 1 1 5  19 3   o 18.530  0.4133 0.5329000      0.8265000 
1 1 1 5  19 4   o 30.390  0.4637 -0.3188000     0.9274000 
1 1 1 5  19 5   o 35.800  0.5253 0.6893000      1.051000  
1 1 1 5  19 6   o 31.070  0.4728 0.5966000      0.9456000 
1 1 1 5  19 7   o 24.910  0.4797 -1.540000      0.9594000 
1 1 1 5  19 8   o 49.590  0.7018 1.496000       1.404000  
1 1 1 5  19 9   o 36.570  0.6265 -0.1652000     1.253000  
1 1 1 5  19 10  o 32.100  0.6335 -0.4714000E-01 1.267000  
1 1 1 5  19 11  o 69.660  0.9716 0.1312000      1.943000  
1 1 1 5  19 12  o 45.430  0.7876 -7.647000      1.575000  
1 1 1 5  19 13  o 43.000  0.6202 -0.2706000     1.240000  
1 1 1 5  19 14  o 12.890  0.6088 -4.415000      1.218000  
1 1 1 5  19 15  f 8.1930  0.7430 -1.226000      1.486000  
1 1 1 5  19 16  o 28.730  0.4885 -1.384000      0.9769000 
1 1 1 5  19 17  o 28.570  0.5352 1.198000       1.070000  
1 1 1 5  19 18  o 14.890  0.5844 -0.7750000     1.169000  
1 1 1 5  19 19  o 32.890  0.5049 0.1756000      1.010000  
1 1 1 5  19 20  o 26.570  0.4860 1.632000       0.9720000 
1 1 1 5  19 21  o 12.250  0.6021 -0.6829000     1.204000  
1 1 1 5  19 22  o 50.360  0.7211 0.7343000      1.442000  
1 1 1 5  19 23  o 29.000  0.5547 0.4978000      1.109000  
1 1 1 5  19 24  o 23.710  0.5219 -3.396000      1.044000  
1 1 1 5  19 25  o 14.520  0.4729 -0.4863000E-01 0.9458000 
1 1 1 5  19 26  o 10.290  0.6115 -0.4591000     1.223000  
1 1 1 5  19 27  o 15.560  0.4666 -0.1816000     0.9332000 
1 1 1 5  19 28  o 15.880  0.4696 0.1661000      0.9392000 
1 1 1 5  19 29  o 14.820  0.4956 1.282000       0.9912000 
1 1 1 5  19 30  o 35.780  0.5531 -0.4561000     1.106000  
1 1 1 5  19 31  o 11.530  0.6728 -0.9617000     1.346000  
1 1 1 5  19 32  o 19.350  0.6128 0.4832000      1.226000  
1 1 1 5  19 33  o 20.530  0.5173 -0.2909000     1.035000  
1 1 1 5  19 34  o 46.960  0.7451 0.4086000      1.490000  
1 1 1 5  19 35  o 8.0690  1.3040 -1.066000      2.609000  
1 1 1 5  19 36  f 10.280  0.9158 1.150000       1.832000  
1 1 1 5  19 37  o 18.730  0.6457 -1.026000      1.291000  
1 1 1 5  19 38  o 16.270  0.6673 -2.292000      1.335000  
1 1 1 5  19 39  o 24.350  0.6051 -0.1924000E-01 1.210000  
1 1 1 5  19 40  o 23.640  0.6047 1.269000       1.209000  
1 1 1 5  19 41  o 39.100  0.7179 0.2968000      1.436000  
1 1 1 5  19 42  f 11.620  0.9122 1.911000       1.824000  
1 1 1 5  19 43  o 22.290  0.6323 -0.4175000     1.265000  
1 1 1 5  19 44  o 20.230  0.6480 -0.8221000     1.296000  
1 1 1 5  19 45  o 20.840  0.6576 0.4276000      1.315000  
1 1 1 5  19 46  o 15.700  0.7528 0.7685000      1.506000  
1 1 1 5  19 47  o 8.4760  1.2820 0.2684000E-01  2.564000  
1 1 1 5  19 48  o 14.560  0.8011 -0.2900000     1.602000  
1 1 1 5  19 49  o 3.4390  1.1430 0.3769000      2.286000  
1 1 1 5  19 50  o 20.320  0.6611 -0.6433000     1.322000  
1 1 1 5  19 51  o 12.910  0.8906 0.4396000      1.781000  
1 1 1 5  19 52  o 9.2400  1.1970 -0.6163000     2.393000  
1 1 1 5  19 53  o 5.9990  1.4590 0.3012000      2.918000  
1 1 1 5  19 54  o 5.9020  1.4660 -1.062000      2.932000  
1 1 1 5  19 55  o 4.5270  1.3640 -0.4130000E-01 2.727000  
1 1 1 5  19 56  o 8.5520  1.3470 -0.3305000     2.693000  
1 1 1 5  19 57  o 7.5670  1.4660 -1.049000      2.933000  
1 1 1 5  19 58  f 8.0710  1.3830 -1.794000      2.766000  
1 1 1 5  19 59  o 11.020  1.1440 0.8837000      2.287000  
1 1 1 5  19 60  o 14.910  0.8918 -0.5315000     1.784000  
1 1 1 5  19 61  o 5.6040  1.4860 -1.158000      2.972000  
1 1 1 5  19 62  o 7.9030  1.4140 -2.159000      2.828000  
1 1 1 5  19 63  o 7.5930  1.4610 0.4673000      2.923000  
1 1 1 5  19 64  o 5.0550  1.5430 -0.2236000     3.087000  
1 1 1 5  19 65  o 7.3860  1.8020 2.036000       3.603000  
1 1 1 5  19 66  o 5.3330  1.6440 0.9555000      3.289000  
1 1 1 5  19 67  o 5.0870  1.5880 0.3653000      3.176000  
1 1 1 5  19 68  o 4.2300  1.4330 1.272000       2.866000  
1 1 1 5  19 69  o 4.5050  1.4980 1.192000       2.997000  
1 1 1 5  19 70  o 10.020  1.6820 -3.556000      3.364000  
1 1 1 5  19 71  o 5.6200  1.8010 1.496000       3.601000  
1 1 1 5  19 72  o 5.1610  1.7230 0.4609000      3.446000  
1 1 1 5  19 73  o 6.1820  1.9260 2.180000       3.851000  
1 1 1 5  19 74  o 4.5300  1.5750 -0.4004000     3.150000  
1 1 1 5  19 75  o 5.8280  1.8890 0.8361000      3.777000  
1 1 1 5  19 76  o 5.5590  1.8140 -0.8466000     3.628000  
1 1 1 5  19 77  f 5.5620  1.8000 0.4883000      3.600000  
1 1 1 5  19 78  o 4.4810  1.5420 0.5515000E-01  3.085000  
1 1 1 5  19 79  o 4.4780  1.5190 1.422000       3.039000  
1 1 1 5  19 80  o 4.2860  1.4430 -0.4410000     2.887000  
1 1 1 5  19 81  o 4.1460  1.4390 0.4795000      2.879000  
1 1 1 5  19 82  o 3.8110  1.3610 0.4436000E-01  2.722000  
1 1 1 5  20 0   o 41.230  1.2080 -0.000000      0.000000  
1 1 1 5  20 1   o 77.730  1.0850 0.6110000      2.170000  
1 1 1 5  20 2   o 27.800  0.9011 ?              ?         
1 1 1 5  20 3   o 32.670  0.4953 -0.2075000     0.9905000 
1 1 1 5  20 4   o 23.260  0.6051 -11.17000      1.210000  
1 1 1 5  20 5   o 38.560  0.5630 1.198000       1.126000  
1 1 1 5  20 6   o 9.4570  0.8520 1.769000       1.704000  
1 1 1 5  20 7   o 16.120  0.4729 -1.022000      0.9458000 
1 1 1 5  20 8   o 32.660  0.5388 -0.1881000E-02 1.078000  
1 1 1 5  20 9   o 46.960  0.6712 1.259000       1.342000  
1 1 1 5  20 10  o 28.570  0.6128 -10.92000      1.226000  
1 1 1 5  20 11  o 32.650  0.4994 0.6655000      0.9988000 
1 1 1 5  20 12  o 20.690  0.5290 7.465000       1.058000  
1 1 1 5  20 13  o 23.460  0.4218 -1.254000      0.8436000 
1 1 1 5  20 14  o 15.780  0.6388 -5.678000      1.278000  
1 1 1 5  20 15  o 24.560  0.4680 -0.3652000     0.9360000 
1 1 1 5  20 16  o 37.700  0.5632 2.147000       1.126000  
1 1 1 5  20 17  o 59.250  0.8360 -0.3864000     1.672000  
1 1 1 5  20 18  f 33.230  0.6750 -4.232000      1.350000  
1 1 1 5  20 19  o 13.150  0.5091 0.2783000      1.018000  
1 1 1 5  20 20  o 17.790  0.4421 0.1235000      0.8843000 
1 1 1 5  20 21  o 26.280  0.4583 0.1452000      0.9166000 
1 1 1 5  20 22  f 38.970  0.5815 -0.3504000     1.163000  
1 1 1 5  20 23  o 38.980  0.5854 0.4581000      1.171000  
1 1 1 5  20 24  o 21.280  0.4953 -0.3696000     0.9907000 
1 1 1 5  20 25  o 13.330  0.5281 -1.129000      1.056000  
1 1 1 5  20 26  o 35.840  0.5527 -0.8404000     1.105000  
1 1 1 5  20 27  o 17.430  0.5661 -0.3606000     1.132000  
1 1 1 5  20 28  o 34.310  0.5411 -0.6978000     1.082000  
1 1 1 5  20 29  o 28.930  0.5029 -0.7743000     1.006000  
1 1 1 5  20 30  o 22.810  0.5216 -2.338000      1.043000  
1 1 1 5  20 31  o 16.090  0.5097 -0.1805000     1.019000  
1 1 1 5  20 32  o 30.940  0.5605 0.4970000      1.121000  
1 1 1 5  20 33  o 10.160  0.8210 -1.301000      1.642000  
1 1 1 5  20 34  o 13.110  0.6722 -1.980000      1.344000  
1 1 1 5  20 35  f 23.940  0.5848 -0.5426000     1.170000  
1 1 1 5  20 36  o 30.790  0.6218 -0.3665000     1.244000  
1 1 1 5  20 37  o 22.360  0.6032 -0.9300000     1.206000  
1 1 1 5  20 38  o 10.030  0.9978 -0.4181000     1.996000  
1 1 1 5  20 39  o 10.050  0.9909 -0.8068000E-02 1.982000  
1 1 1 5  20 40  o 9.2460  1.1150 -0.7319000     2.231000  
1 1 1 5  20 41  o 13.430  0.7958 -0.1990000     1.592000  
1 1 1 5  20 42  o 10.370  1.0170 -0.3304000     2.034000  
1 1 1 5  20 43  o 24.850  0.6333 0.5995000      1.267000  
1 1 1 5  20 44  o 12.140  0.9143 3.011000       1.829000  
1 1 1 5  20 45  o 10.310  1.0190 -0.7733000E-01 2.038000  
1 1 1 5  20 46  o 15.320  0.7403 -0.1252000     1.481000  
1 1 1 5  20 47  o 18.850  0.6850 -0.7334000     1.370000  
1 1 1 5  20 48  o 8.9630  1.2460 -1.019000      2.493000  
1 1 1 5  20 49  o 11.790  0.9929 2.146000       1.986000  
1 1 1 5  20 50  o 4.8740  1.4020 0.6917000      2.804000  
1 1 1 5  20 51  o 15.940  0.8004 1.209000       1.601000  
1 1 1 5  20 52  o 13.850  0.8835 -1.442000      1.767000  
1 1 1 5  20 53  o 14.320  0.8743 2.084000       1.749000  
1 1 1 5  20 54  o 8.0440  1.3620 -2.240000      2.723000  
1 1 1 5  20 55  o 9.6570  1.1570 -0.5516000     2.314000  
1 1 1 5  20 56  o 4.7600  1.3590 0.8837000      2.718000  
1 1 1 5  20 57  o 9.0570  1.2820 -0.6603000     2.565000  
1 1 1 5  20 58  o 10.170  1.2050 0.9119000      2.410000  
1 1 1 5  20 59  o 5.7120  1.4860 -0.8485000     2.972000  
1 1 1 5  20 60  o 20.010  0.7603 0.1767000      1.521000  
1 1 1 5  20 61  o 3.9610  1.2870 0.1964000      2.574000  
1 1 1 5  20 62  o 9.6180  1.3190 0.8847000      2.637000  
1 1 1 5  20 63  o 9.7320  1.2990 -1.034000      2.598000  
1 1 1 5  20 64  o 6.0810  1.4490 2.077000       2.898000  
1 1 1 5  20 65  o 3.7940  1.2510 -0.4331000     2.502000  
1 1 1 5  20 66  o 3.7880  1.2480 0.9845000      2.496000  
1 1 1 5  20 67  o 4.3070  1.3380 0.8758000      2.676000  
1 1 1 5  20 68  o 6.5330  1.5240 -2.258000      3.047000  
1 1 1 5  20 69  o 5.4840  1.6650 0.9059000      3.331000  
1 1 1 5  20 70  o 4.2710  1.4100 -0.1105000     2.820000  
1 1 1 5  20 71  o 4.6760  1.4940 -0.2748000     2.988000  
1 1 1 5  20 72  o 4.2530  1.4070 -0.2177000     2.815000  
1 1 1 5  20 73  o 7.6670  1.7430 -2.050000      3.486000  
1 1 1 5  20 74  o 4.4560  1.4700 0.4269000      2.940000  
1 1 1 5  20 75  f 5.2080  1.5430 -0.8177000     3.086000  
1 1 1 5  20 76  o 5.3780  1.7620 -0.6815000     3.525000  
1 1 1 5  20 77  o 3.6270  1.2810 -0.6257000E-01 2.562000  
1 1 1 5  20 78  o 4.1710  1.4100 -0.4803000     2.819000  
1 1 1 5  20 79  o 4.0160  1.3930 -0.3388000     2.785000  
1 1 1 5  20 80  o 3.7660  1.9060 ?              ?         
1 1 1 5  21 0   o 74.410  1.4690 -0.000000      0.000000  
1 1 1 5  21 1   o 30.080  0.7020 -11.90000      1.404000  
1 1 1 5  21 2   o 11.430  0.7140 1.795000       1.428000  
1 1 1 5  21 3   o 7.8670  0.7114 0.2962000      1.423000  
1 1 1 5  21 4   o 14.490  0.5019 4.381000       1.004000  
1 1 1 5  21 5   f 32.350  0.4984 1.693000       0.9967000 
1 1 1 5  21 6   o 25.410  0.5304 -5.428000      1.061000  
1 1 1 5  21 7   o 17.010  0.4243 -1.394000      0.8485000 
1 1 1 5  21 8   o 20.960  0.4138 0.4368000      0.8277000 
1 1 1 5  21 9   o 16.500  0.4770 -2.254000      0.9540000 
1 1 1 5  21 10  o 10.600  0.5654 -1.833000      1.131000  
1 1 1 5  21 11  o 13.280  0.5130 0.3915000      1.026000  
1 1 1 5  21 12  o 30.560  0.5332 1.546000       1.066000  
1 1 1 5  21 13  o 30.850  0.5306 -1.466000      1.061000  
1 1 1 5  21 14  o 28.460  0.5508 -0.3390000     1.102000  
1 1 1 5  21 15  o 25.970  0.4531 0.1480000      0.9062000 
1 1 1 5  21 16  o 19.490  0.4712 0.8825000E-01  0.9424000 
1 1 1 5  21 17  o 26.750  0.4619 -1.522000      0.9238000 
1 1 1 5  21 18  o 32.410  0.5116 0.5076000      1.023000  
1 1 1 5  21 19  o 15.610  0.5175 -1.455000      1.035000  
1 1 1 5  21 20  o 10.330  0.6206 -1.103000      1.241000  
1 1 1 5  21 21  o 9.2440  0.6874 -0.1079000     1.375000  
1 1 1 5  21 22  f 10.930  0.6157 -1.196000      1.231000  
1 1 1 5  21 23  o 29.130  0.4911 0.3046000      0.9823000 
1 1 1 5  21 24  o 20.720  0.5095 -2.309000      1.019000  
1 1 1 5  21 25  o 34.300  0.5421 -1.262000      1.084000  
1 1 1 5  21 26  o 25.780  0.4820 -0.1505000     0.9641000 
1 1 1 5  21 27  o 35.040  0.5496 -0.8592000     1.099000  
1 1 1 5  21 28  o 10.640  0.8359 0.6725000E-01  1.672000  
1 1 1 5  21 29  o 21.520  0.4799 -0.1245000     0.9599000 
1 1 1 5  21 30  o 6.8120  1.0810 -0.3548000     2.163000  
1 1 1 5  21 31  o 36.080  0.5690 -1.311000      1.138000  
1 1 1 5  21 32  o 13.370  0.8290 -3.971000      1.658000  
1 1 1 5  21 33  o 37.040  0.6320 1.368000       1.264000  
1 1 1 5  21 34  o 12.150  0.8637 -1.228000      1.727000  
1 1 1 5  21 35  o 22.190  0.5460 -0.9639000     1.092000  
1 1 1 5  21 36  o 13.590  0.6431 -0.1123000     1.286000  
1 1 1 5  21 37  f 8.5250  1.1460 0.2407000      2.293000  
1 1 1 5  21 38  o 6.8110  1.3140 0.9983000      2.628000  
1 1 1 5  21 39  o 7.6820  1.2410 -0.5733000     2.482000  
1 1 1 5  21 40  o 15.550  0.7100 -1.162000      1.420000  
1 1 1 5  21 41  o 26.510  0.6178 0.5102000      1.236000  
1 1 1 5  21 42  o 9.6250  1.1220 1.616000       2.245000  
1 1 1 5  21 43  o 20.340  0.6500 0.6476000      1.300000  
1 1 1 5  21 44  o 11.220  1.0300 -1.798000      2.061000  
1 1 1 5  21 45  o 20.460  0.6734 -1.327000      1.347000  
1 1 1 5  21 46  o 6.3100  1.4010 -2.120000      2.801000  
1 1 1 5  21 47  o 16.220  0.7458 0.2453000      1.492000  
1 1 1 5  21 48  o 6.3340  1.4130 -1.503000      2.826000  
1 1 1 5  21 49  o 17.990  0.7246 0.3820000      1.449000  
1 1 1 5  21 50  o 16.530  0.7736 -0.6252000     1.547000  
1 1 1 5  21 51  o 13.020  0.9156 -0.8628000     1.831000  
1 1 1 5  21 52  o 5.7080  1.4500 0.7150000      2.900000  
1 1 1 5  21 53  o 13.610  0.8928 2.328000       1.786000  
1 1 1 5  21 54  o 8.4790  1.3340 0.1554000      2.668000  
1 1 1 5  21 55  o 6.7090  1.4490 2.488000       2.898000  
1 1 1 5  21 56  o 10.040  1.2030 -0.9006000     2.407000  
1 1 1 5  21 57  o 5.9550  1.4360 -2.112000      2.872000  
1 1 1 5  21 58  o 11.280  1.0750 -1.033000      2.150000  
1 1 1 5  21 59  o 8.5800  1.3340 -0.2085000     2.668000  
1 1 1 5  21 60  o 3.8470  1.2410 0.9619000      2.481000  
1 1 1 5  21 61  o 5.6710  1.4600 1.742000       2.921000  
1 1 1 5  21 62  o 6.2550  1.4730 1.619000       2.947000  
1 1 1 5  21 63  o 10.170  1.1980 0.4996000      2.395000  
1 1 1 5  21 64  f 3.3980  1.1590 0.2902000      2.318000  
1 1 1 5  21 65  o 6.8000  1.5650 -0.2121000     3.131000  
1 1 1 5  21 66  o 7.8590  1.4410 -2.376000      2.883000  
1 1 1 5  21 67  o 4.8010  1.4060 -0.2228000     2.812000  
1 1 1 5  21 68  o 3.7940  1.2440 0.7598000E-01  2.488000  
1 1 1 5  21 69  o 4.7340  1.3820 -1.474000      2.763000  
1 1 1 5  21 70  o 4.3920  1.3620 -0.1455000     2.723000  
1 1 1 5  21 71  o 5.1830  1.4490 -0.5208000     2.898000  
1 1 1 5  21 72  o 5.6180  1.5000 1.040000       3.000000  
1 1 1 5  21 73  o 4.1710  1.3180 -0.1198000     2.635000  
1 1 1 5  21 74  o 3.7580  1.2700 -0.1718000     2.539000  
1 1 1 5  21 75  o 3.8460  1.2930 0.3207000      2.587000  
1 1 1 5  21 76  f 4.0570  1.3410 0.7595000      2.683000  
1 1 1 5  21 77  o 3.6130  1.3000 -0.6277000     2.600000  
1 1 1 5  22 0   o 41.790  0.8618 0.000000       0.000000  
1 1 1 5  22 1   o 29.890  0.6308 -2.880000      1.262000  
1 1 1 5  22 2   o 40.270  0.5944 -0.4404000     1.189000  
1 1 1 5  22 3   o 34.330  0.5665 3.861000       1.133000  
1 1 1 5  22 4   o 35.540  0.5394 -0.7677000     1.079000  
1 1 1 5  22 5   o 22.850  0.5670 2.820000       1.134000  
1 1 1 5  22 6   f 18.090  0.5113 -1.166000      1.023000  
1 1 1 5  22 7   o 28.120  0.4679 1.132000       0.9357000 
1 1 1 5  22 8   o 17.640  0.5474 1.301000       1.095000  
1 1 1 5  22 9   o 24.950  0.5191 0.7000000      1.038000  
1 1 1 5  22 10  o 30.810  0.4953 -1.851000      0.9906000 
1 1 1 5  22 11  o 36.400  0.5532 0.1975000E-01  1.106000  
1 1 1 5  22 12  o 21.310  0.5905 -6.502000      1.181000  
1 1 1 5  22 13  o 31.000  0.4974 1.164000       0.9949000 
1 1 1 5  22 14  o 17.620  0.6049 3.529000       1.210000  
1 1 1 5  22 15  o 30.000  0.5314 -1.561000      1.063000  
1 1 1 5  22 16  o 13.140  0.9343 -7.635000      1.869000  
1 1 1 5  22 17  o 32.310  0.5156 0.5165000E-01  1.031000  
1 1 1 5  22 18  o 34.410  0.5375 1.824000       1.075000  
1 1 1 5  22 19  o 13.920  0.6360 -0.5703000     1.272000  
1 1 1 5  22 20  o 21.120  0.4544 -0.3469000     0.9089000 
1 1 1 5  22 21  o 19.840  0.5083 2.147000       1.017000  
1 1 1 5  22 22  o 23.230  0.4630 0.1115000      0.9260000 
1 1 1 5  22 23  o 37.230  0.5711 -0.2702000     1.142000  
1 1 1 5  22 24  o 10.060  1.0460 -1.690000      2.091000  
1 1 1 5  22 25  o 28.780  0.4984 -0.6812000     0.9968000 
1 1 1 5  22 26  o 5.1150  1.1920 -2.013000      2.385000  
1 1 1 5  22 27  o 11.580  0.6506 -0.8190000E-01 1.301000  
1 1 1 5  22 28  o 4.1960  1.1430 -0.1640000     2.285000  
1 1 1 5  22 29  o 13.090  0.5879 -1.105000      1.176000  
1 1 1 5  22 30  o 12.770  0.6039 -0.1498000     1.208000  
1 1 1 5  22 31  o 17.070  0.5287 -1.102000      1.057000  
1 1 1 5  22 32  o 4.6690  1.0970 -3.391000      2.193000  
1 1 1 5  22 33  o 8.8700  0.8575 -0.4821000     1.715000  
1 1 1 5  22 34  o 8.5620  1.0010 1.538000       2.002000  
1 1 1 5  22 35  o 13.100  0.6997 1.076000       1.399000  
1 1 1 5  22 36  o 15.040  0.6265 -0.3906000     1.253000  
1 1 1 5  22 37  o 18.640  0.5818 0.4570000      1.164000  
1 1 1 5  22 38  o 8.5670  1.1800 2.014000       2.359000  
1 1 1 5  22 39  o 10.170  0.9983 -1.322000      1.997000  
1 1 1 5  22 40  o 14.750  0.7493 -0.2075000     1.499000  
1 1 1 5  22 41  o 11.760  0.9348 -2.064000      1.870000  
1 1 1 5  22 42  o 7.9560  1.3040 -0.6808000     2.608000  
1 1 1 5  22 43  o 4.7440  1.2960 2.172000       2.592000  
1 1 1 5  22 44  o 6.7360  1.4020 -0.1178000E-01 2.805000  
1 1 1 5  22 45  o 5.2870  1.3720 1.835000       2.743000  
1 1 1 5  22 46  o 7.7590  1.3640 -1.384000      2.728000  
1 1 1 5  22 47  o 18.030  0.7187 -0.4455000     1.437000  
1 1 1 5  22 48  o 15.770  0.7889 -0.5091000     1.578000  
1 1 1 5  22 49  o 4.5470  1.3510 0.1493000      2.701000  
1 1 1 5  22 50  o 8.4590  1.2780 3.563000       2.557000  
1 1 1 5  22 51  f 4.4380  1.2630 2.812000       2.526000  
1 1 1 5  22 52  o 5.8110  1.4090 0.7221000      2.818000  
1 1 1 5  22 53  o 7.1600  1.3910 0.9752000      2.781000  
1 1 1 5  22 54  o 10.870  1.0620 -1.098000      2.124000  
1 1 1 5  22 55  o 11.860  1.0220 1.657000       2.043000  
1 1 1 5  22 56  o 4.3480  1.2940 2.403000       2.588000  
1 1 1 5  22 57  o 3.6540  1.1980 -0.7613000     2.396000  
1 1 1 5  22 58  o 5.9240  1.4020 1.897000       2.805000  
1 1 1 5  22 59  o 4.2200  1.3190 -0.1927000     2.637000  
1 1 1 5  22 60  o 3.7940  1.2390 -0.9556000     2.478000  
1 1 1 5  22 61  o 5.7370  1.4320 2.686000       2.865000  
1 1 1 5  22 62  o 6.0120  1.4350 2.283000       2.870000  
1 1 1 5  22 63  o 5.8010  1.5000 0.4459000      3.000000  
1 1 1 5  22 64  o 6.7870  1.4320 -2.653000      2.865000  
1 1 1 5  22 65  o 3.9850  1.2630 0.1260000      2.525000  
1 1 1 5  22 66  o 4.6600  1.3680 -0.5732000     2.737000  
1 1 1 5  22 67  o 6.6550  1.5080 -0.6389000     3.016000  
1 1 1 5  22 68  o 4.0630  1.2910 -0.1731000     2.582000  
1 1 1 5  22 69  f 4.5310  1.3640 0.6696000      2.729000  
1 1 1 5  22 70  o 4.2650  1.3290 -0.8143000     2.659000  
1 1 1 5  22 71  o 3.3830  1.1430 0.2772000      2.286000  
1 1 1 5  22 72  o 3.9490  1.2740 0.5285000      2.548000  
1 1 1 5  22 73  o 4.1210  1.2920 0.5890000      2.585000  
1 1 1 5  22 74  o 4.5440  1.5750 -0.6548000     3.150000  
1 1 1 5  22 75  o 3.3600  1.7190 ?              ?         
1 1 1 5  23 0   o 14.300  0.6855 -0.000000      0.000000  
1 1 1 5  23 1   o 12.460  0.5374 -0.5046000     1.075000  
1 1 1 5  23 2   o 17.280  0.4538 -0.3975000E-01 0.9076000 
1 1 1 5  23 3   o 18.760  0.4430 0.5233000      0.8860000 
1 1 1 5  23 4   o 29.390  0.5611 0.1438000      1.122000  
1 1 1 5  23 5   f 30.830  0.5427 1.084000       1.085000  
1 1 1 5  23 6   o 28.850  0.5624 -2.653000      1.125000  
1 1 1 5  23 7   o 25.570  0.4616 1.708000       0.9232000 
1 1 1 5  23 8   o 23.770  0.4538 -0.7374000     0.9075000 
1 1 1 5  23 9   o 21.490  0.4537 1.007000       0.9073000 
1 1 1 5  23 10  o 24.620  0.4946 -2.506000      0.9892000 
1 1 1 5  23 11  o 32.570  0.5186 -0.1748000     1.037000  
1 1 1 5  23 12  o 22.460  0.5075 -5.899000      1.015000  
1 1 1 5  23 13  f 28.020  0.4778 1.054000       0.9556000 
1 1 1 5  23 14  o 15.980  0.7210 -3.984000      1.442000  
1 1 1 5  23 15  o 24.380  0.4587 0.9454000      0.9174000 
1 1 1 5  23 16  o 16.020  0.5723 4.409000       1.145000  
1 1 1 5  23 17  o 22.300  0.4569 -2.172000      0.9139000 
1 1 1 5  23 18  o 28.170  0.4887 -0.8150000     0.9774000 
1 1 1 5  23 19  o 28.900  0.4974 -0.3925000E-02 0.9948000 
1 1 1 5  23 20  o 13.290  0.6563 -3.089000      1.313000  
1 1 1 5  23 21  o 23.820  0.4712 0.4128000      0.9425000 
1 1 1 5  23 22  f 19.830  0.4749 0.9296000      0.9499000 
1 1 1 5  23 23  o 6.0400  1.0980 2.491000       2.195000  
1 1 1 5  23 24  o 11.960  0.6070 -0.3989000     1.214000  
1 1 1 5  23 25  o 19.610  0.4852 -1.582000      0.9703000 
1 1 1 5  23 26  o 13.220  0.5691 -0.9612000     1.138000  
1 1 1 5  23 27  o 11.080  0.6679 -0.2051000     1.336000  
1 1 1 5  23 28  o 7.3910  0.9871 -0.7018000     1.974000  
1 1 1 5  23 29  o 5.1930  1.1530 1.398000       2.307000  
1 1 1 5  23 30  o 11.080  0.7141 -1.354000      1.428000  
1 1 1 5  23 31  o 5.3100  1.1610 1.522000       2.322000  
1 1 1 5  23 32  o 13.750  0.5932 1.010000       1.186000  
1 1 1 5  23 33  o 8.6990  0.9115 -1.247000      1.823000  
1 1 1 5  23 34  o 13.960  0.5811 -0.4008000     1.162000  
1 1 1 5  23 35  o 9.0030  0.9994 -2.279000      1.999000  
1 1 1 5  23 36  o 23.250  0.5550 0.4174000      1.110000  
1 1 1 5  23 37  o 10.460  0.8755 -2.242000      1.751000  
1 1 1 5  23 38  f 4.6990  1.2500 0.3335000      2.499000  
1 1 1 5  23 39  o 9.3000  1.1300 1.649000       2.260000  
1 1 1 5  23 40  o 13.340  0.8271 0.1522000      1.654000  
1 1 1 5  23 41  o 12.010  0.8935 -1.340000      1.787000  
1 1 1 5  23 42  o 5.9920  1.3900 -0.7124000E-01 2.779000  
1 1 1 5  23 43  o 8.9130  1.1380 -0.2884000     2.277000  
1 1 1 5  23 44  o 4.8590  1.3580 0.5591000      2.716000  
1 1 1 5  23 45  o 5.7800  1.4070 -1.102000      2.813000  
1 1 1 5  23 46  o 4.5510  1.3350 0.7782000E-01  2.670000  
1 1 1 5  23 47  o 6.7950  1.4240 -0.4863000     2.848000  
1 1 1 5  23 48  o 13.320  0.8831 1.249000       1.766000  
1 1 1 5  23 49  o 5.5910  1.4250 -1.440000      2.851000  
1 1 1 5  23 50  o 7.2380  1.3790 -1.447000      2.758000  
1 1 1 5  23 51  o 5.4720  1.3810 -1.749000      2.762000  
1 1 1 5  23 52  o 6.3230  1.4220 0.8623000      2.845000  
1 1 1 5  23 53  o 4.8460  1.3580 0.9175000      2.715000  
1 1 1 5  23 54  o 6.7450  1.4340 0.8607000      2.869000  
1 1 1 5  23 55  o 5.4470  1.4250 1.360000       2.851000  
1 1 1 5  23 56  o 4.4700  1.3530 0.9221000      2.706000  
1 1 1 5  23 57  o 7.3200  1.4380 -0.3282000     2.876000  
1 1 1 5  23 58  o 4.5470  1.3490 -0.8234000     2.698000  
1 1 1 5  23 59  o 5.0290  1.4240 0.5550000      2.848000  
1 1 1 5  23 60  o 9.3540  1.3040 2.251000       2.609000  
1 1 1 5  23 61  o 5.1210  1.4220 1.059000       2.844000  
1 1 1 5  23 62  o 4.1380  1.2830 -0.9475000     2.565000  
1 1 1 5  23 63  o 4.3170  1.3240 0.5480000      2.648000  
1 1 1 5  23 64  o 4.9310  1.3900 1.484000       2.780000  
1 1 1 5  23 65  o 4.0600  1.2730 -0.9767000     2.545000  
1 1 1 5  23 66  o 4.0810  1.2960 -0.7941000     2.592000  
1 1 1 5  23 67  o 4.1390  1.3060 -0.6206000     2.612000  
1 1 1 5  23 68  o 4.1340  1.2640 -1.502000      2.528000  
1 1 1 5  23 69  f 4.6200  1.3580 0.1426000      2.716000  
1 1 1 5  23 70  o 3.4880  1.1590 -0.4768000     2.318000  
1 1 1 5  23 71  o 3.9190  1.3850 -0.3659000     2.769000  
1 1 1 5  24 0   o 10.020  0.9271 -0.000000      0.000000  
1 1 1 5  24 1   o 8.6840  0.7818 -1.428000      1.564000  
1 1 1 5  24 2   o 13.040  0.5412 -1.173000      1.082000  
1 1 1 5  24 3   o 11.240  0.7162 -4.910000      1.432000  
1 1 1 5  24 4   o 23.690  0.4584 1.616000       0.9167000 
1 1 1 5  24 5   o 31.570  0.5104 0.3483000      1.021000  
1 1 1 5  24 6   o 30.580  0.5506 2.682000       1.101000  
1 1 1 5  24 7   o 18.110  0.6197 -1.358000      1.239000  
1 1 1 5  24 8   o 20.030  0.4583 -0.1322000     0.9165000 
1 1 1 5  24 9   o 18.950  0.5068 -1.013000      1.014000  
1 1 1 5  24 10  o 23.070  0.4604 -0.6251000     0.9209000 
1 1 1 5  24 11  o 22.370  0.4957 -2.303000      0.9914000 
1 1 1 5  24 12  o 18.110  0.5266 -0.9156000     1.053000  
1 1 1 5  24 13  o 21.770  0.4514 -0.8088000E-01 0.9027000 
1 1 1 5  24 14  o 13.810  0.6624 6.782000       1.325000  
1 1 1 5  24 15  o 5.1790  1.1500 0.2526000      2.300000  
1 1 1 5  24 16  o 9.5290  0.6869 -0.2339000     1.374000  
1 1 1 5  24 17  o 12.220  0.5938 -2.083000      1.188000  
1 1 1 5  24 18  o 19.250  0.4698 -0.4170000     0.9396000 
1 1 1 5  24 19  o 11.680  0.6087 -1.218000      1.217000  
1 1 1 5  24 20  o 10.070  0.7250 -2.373000      1.450000  
1 1 1 5  24 21  o 11.010  0.6520 -0.9800000     1.304000  
1 1 1 5  24 22  o 17.350  0.4963 -1.062000      0.9927000 
1 1 1 5  24 23  o 10.880  0.7117 -2.881000      1.423000  
1 1 1 5  24 24  o 18.230  0.4845 -1.034000      0.9690000 
1 1 1 5  24 25  o 11.980  0.6517 -0.3801000     1.303000  
1 1 1 5  24 26  o 12.020  0.6329 -0.8350000E-01 1.266000  
1 1 1 5  24 27  o 17.660  0.5186 0.4680000      1.037000  
1 1 1 5  24 28  o 9.3690  0.8465 -1.910000      1.693000  
1 1 1 5  24 29  f 19.660  0.4963 0.7151000      0.9927000 
1 1 1 5  24 30  o 15.140  0.5649 0.5844000      1.130000  
1 1 1 5  24 31  o 5.6400  1.1570 -2.082000      2.314000  
1 1 1 5  24 32  o 20.650  0.5129 0.3586000      1.026000  
1 1 1 5  24 33  o 15.680  0.5702 -1.180000      1.140000  
1 1 1 5  24 34  o 19.940  0.5166 -0.2572000     1.033000  
1 1 1 5  24 35  o 5.6920  1.1920 -1.446000      2.384000  
1 1 1 5  24 36  o 6.5640  1.2020 2.509000       2.405000  
1 1 1 5  24 37  o 7.7000  1.1530 -1.391000      2.307000  
1 1 1 5  24 38  o 27.910  0.5846 0.2359000      1.169000  
1 1 1 5  24 39  o 10.540  0.8719 -4.632000      1.744000  
1 1 1 5  24 40  o 6.2670  1.3440 1.725000       2.688000  
1 1 1 5  24 41  o 4.0250  1.2380 -0.1606000     2.475000  
1 1 1 5  24 42  o 3.0870  1.0450 0.7576000      2.091000  
1 1 1 5  24 43  f 5.6420  1.3770 0.6099000      2.755000  
1 1 1 5  24 44  o 10.780  0.9636 1.631000       1.927000  
1 1 1 5  24 45  o 10.360  1.0340 0.7477000E-01  2.067000  
1 1 1 5  24 46  f 9.5250  1.1290 -1.376000      2.259000  
1 1 1 5  24 47  o 5.4060  1.4140 -0.3580000E-01 2.828000  
1 1 1 5  24 48  o 14.790  0.8031 -0.3393000E-01 1.606000  
1 1 1 5  24 49  o 5.6070  1.4370 -0.1474000     2.873000  
1 1 1 5  24 50  o 6.9790  1.4150 -1.102000      2.829000  
1 1 1 5  24 51  o 3.9710  1.2510 0.7340000      2.502000  
1 1 1 5  24 52  o 10.250  1.0980 -0.9954000     2.197000  
1 1 1 5  24 53  o 5.6290  1.3880 1.846000       2.776000  
1 1 1 5  24 54  o 6.7020  1.4370 0.1163000      2.874000  
1 1 1 5  24 55  o 4.3440  1.2980 -1.561000      2.595000  
1 1 1 5  24 56  o 7.6590  1.4000 0.7855000      2.801000  
1 1 1 5  24 57  o 5.1400  1.4140 0.6223000      2.827000  
1 1 1 5  24 58  o 3.9410  1.2360 1.185000       2.472000  
1 1 1 5  24 59  o 4.0860  1.2790 0.6190000      2.558000  
1 1 1 5  24 60  f 3.9340  1.2670 -0.8371000E-01 2.533000  
1 1 1 5  24 61  f 5.0260  1.4070 -1.600000      2.814000  
1 1 1 5  24 62  o 4.3550  1.3160 -1.094000      2.632000  
1 1 1 5  24 63  o 3.0330  1.0460 0.4827000      2.092000  
1 1 1 5  24 64  o 4.8850  1.4220 0.5027000      2.843000  
1 1 1 5  24 65  o 3.3160  1.1230 -0.2322000     2.247000  
1 1 1 5  24 66  o 4.4230  1.3160 -1.351000      2.632000  
1 1 1 5  24 67  o 3.4610  1.1530 0.2001000      2.306000  
1 1 1 5  24 68  o 3.5950  1.2820 -0.4625000     2.564000  
1 1 1 5  25 0   o 2.7950  1.7080 0.000000       0.000000  
1 1 1 5  25 1   o 10.780  0.7037 -1.729000      1.407000  
1 1 1 5  25 2   o 25.260  0.4690 0.2515000      0.9381000 
1 1 1 5  25 3   o 23.010  0.5882 2.335000       1.176000  
1 1 1 5  25 4   o 28.620  0.4881 0.8086000      0.9762000 
1 1 1 5  25 5   o 30.190  0.5467 0.8914000      1.093000  
1 1 1 5  25 6   o 17.560  0.5617 0.7584000      1.123000  
1 1 1 5  25 7   o 7.6820  0.8943 -2.258000      1.789000  
1 1 1 5  25 8   o 15.810  0.5087 -0.1889000     1.017000  
1 1 1 5  25 9   o 18.860  0.4652 0.8318000      0.9304000 
1 1 1 5  25 10  o 18.540  0.4742 -1.203000      0.9484000 
1 1 1 5  25 11  o 14.190  0.5284 0.4975000      1.057000  
1 1 1 5  25 12  o 16.450  0.5362 1.868000       1.072000  
1 1 1 5  25 13  o 22.540  0.6024 2.828000       1.205000  
1 1 1 5  25 14  f 34.740  0.5497 1.791000       1.099000  
1 1 1 5  25 15  o 20.190  0.5598 -1.237000      1.120000  
1 1 1 5  25 16  o 7.6830  0.8872 -0.2704000     1.774000  
1 1 1 5  25 17  o 9.6220  0.7377 -1.723000      1.475000  
1 1 1 5  25 18  o 19.830  0.4782 -1.054000      0.9565000 
1 1 1 5  25 19  o 9.3150  0.7944 2.756000       1.589000  
1 1 1 5  25 20  o 16.340  0.5032 0.1598000      1.006000  
1 1 1 5  25 21  o 9.8050  0.7223 0.5777000      1.445000  
1 1 1 5  25 22  o 5.9560  1.1120 1.901000       2.224000  
1 1 1 5  25 23  o 11.520  0.6384 1.475000       1.277000  
1 1 1 5  25 24  o 7.5880  0.9939 -2.251000      1.988000  
1 1 1 5  25 25  f 16.610  0.5081 0.1370000      1.016000  
1 1 1 5  25 26  o 4.7690  1.1650 1.346000       2.330000  
1 1 1 5  25 27  f 4.0470  1.1060 1.497000       2.212000  
1 1 1 5  25 28  o 13.620  0.5978 0.5344000      1.196000  
1 1 1 5  25 29  o 14.130  0.5690 -0.9431000     1.138000  
1 1 1 5  25 30  o 20.180  0.5086 -0.4489000     1.017000  
1 1 1 5  25 31  o 12.380  0.6487 -0.4198000     1.297000  
1 1 1 5  25 32  o 16.550  0.5450 -0.8645000     1.090000  
1 1 1 5  25 33  o 10.610  0.7603 1.315000       1.521000  
1 1 1 5  25 34  o 10.080  0.8014 -0.2548000     1.603000  
1 1 1 5  25 35  o 8.9090  0.8640 -0.5042000     1.728000  
1 1 1 5  25 36  o 8.6180  0.9039 -0.1585000     1.808000  
1 1 1 5  25 37  o 5.2370  1.2670 0.6594000      2.535000  
1 1 1 5  25 38  o 4.4480  1.2050 1.636000       2.410000  
1 1 1 5  25 39  o 7.7750  1.1220 2.763000       2.244000  
1 1 1 5  25 40  o 6.6840  1.1600 3.189000       2.320000  
1 1 1 5  25 41  o 5.0220  1.3500 -1.307000      2.701000  
1 1 1 5  25 42  o 7.0710  1.3540 -1.910000      2.707000  
1 1 1 5  25 43  o 11.760  0.9271 -1.991000      1.854000  
1 1 1 5  25 44  o 9.6040  1.1320 -2.273000      2.263000  
1 1 1 5  25 45  o 3.6390  1.1780 0.5202000      2.356000  
1 1 1 5  25 46  o 3.3410  1.1130 0.5359000      2.227000  
1 1 1 5  25 47  o 5.0070  1.3450 1.027000       2.689000  
1 1 1 5  25 48  o 7.7630  1.3010 0.5581000      2.601000  
1 1 1 5  25 49  o 4.1000  1.2500 1.264000       2.500000  
1 1 1 5  25 50  o 6.6890  1.3530 -2.921000      2.705000  
1 1 1 5  25 51  o 4.1880  1.2910 -0.6716000     2.582000  
1 1 1 5  25 52  o 8.3250  1.3170 2.486000       2.635000  
1 1 1 5  25 53  o 4.2380  1.3000 0.1696000      2.601000  
1 1 1 5  25 54  o 8.7540  1.2430 -2.592000      2.485000  
1 1 1 5  25 55  f 4.5070  1.3360 1.197000       2.672000  
1 1 1 5  25 56  o 4.2740  1.3080 1.335000       2.617000  
1 1 1 5  25 57  o 9.0320  1.3020 0.3321000      2.603000  
1 1 1 5  25 58  o 3.3800  1.1340 -0.9669000     2.267000  
1 1 1 5  25 59  o 6.2270  1.4680 -0.6365000     2.937000  
1 1 1 5  25 60  f 4.8280  1.3850 1.145000       2.771000  
1 1 1 5  25 61  o 4.7470  1.3480 2.094000       2.695000  
1 1 1 5  25 62  o 4.0070  1.2490 -0.5322000     2.499000  
1 1 1 5  25 63  o 4.2380  1.2480 1.905000       2.495000  
1 1 1 5  25 64  o 5.0060  1.4430 -1.922000      2.887000  
1 1 1 5  26 0   o 12.430  0.7926 0.000000       0.000000  
1 1 1 5  26 1   o 16.140  0.6046 2.909000       1.209000  
1 1 1 5  26 2   o 22.370  0.4614 0.9723000E-01  0.9229000 
1 1 1 5  26 3   o 15.830  0.5365 1.159000       1.073000  
1 1 1 5  26 4   o 9.1000  0.7643 -2.001000      1.529000  
1 1 1 5  26 5   o 15.820  0.5034 0.1446000      1.007000  
1 1 1 5  26 6   o 18.420  0.4704 -0.1749000E-02 0.9407000 
1 1 1 5  26 7   o 18.420  0.4769 1.251000       0.9539000 
1 1 1 5  26 8   o 21.110  0.4665 -0.8418000     0.9330000 
1 1 1 5  26 9   o 9.8760  0.7739 2.347000       1.548000  
1 1 1 5  26 10  o 5.3850  1.1020 -1.416000      2.203000  
1 1 1 5  26 11  o 11.540  0.6311 -0.7801000     1.262000  
1 1 1 5  26 12  o 11.910  0.5916 -0.9997000     1.183000  
1 1 1 5  26 13  o 15.980  0.5110 -0.7557000     1.022000  
1 1 1 5  26 14  o 11.060  0.6403 0.3668000      1.281000  
1 1 1 5  26 15  o 10.640  0.6655 1.199000       1.331000  
1 1 1 5  26 16  o 14.640  0.5323 0.3379000      1.065000  
1 1 1 5  26 17  o 9.7040  0.7606 0.9871000      1.521000  
1 1 1 5  26 18  o 5.0060  1.1350 0.9895000      2.270000  
1 1 1 5  26 19  o 6.8600  1.0250 -2.445000      2.050000  
1 1 1 5  26 20  f 6.8340  1.0270 -1.377000      2.054000  
1 1 1 5  26 21  o 11.570  0.6479 -0.9071000     1.296000  
1 1 1 5  26 22  o 14.960  0.5323 -0.5175000     1.065000  
1 1 1 5  26 23  o 5.5430  1.1830 0.4797000      2.367000  
1 1 1 5  26 24  o 6.6380  1.0540 1.090000       2.108000  
1 1 1 5  26 25  o 9.5600  0.7829 1.617000       1.566000  
1 1 1 5  26 26  o 6.9320  1.0730 -1.566000      2.145000  
1 1 1 5  26 27  o 15.170  0.5624 -0.3677000E-01 1.125000  
1 1 1 5  26 28  o 16.210  0.5306 0.3456000      1.061000  
1 1 1 5  26 29  o 5.2580  1.1870 -1.739000      2.373000  
1 1 1 5  26 30  o 3.7290  1.1040 1.098000       2.208000  
1 1 1 5  26 31  o 14.360  0.5971 -1.225000      1.194000  
1 1 1 5  26 32  o 17.550  0.5366 0.2204000      1.073000  
1 1 1 5  26 33  o 9.7060  0.8383 -1.148000      1.677000  
1 1 1 5  26 34  o 5.9770  1.1580 -2.530000      2.317000  
1 1 1 5  26 35  o 5.8470  1.1230 2.292000       2.246000  
1 1 1 5  26 36  o 5.4540  1.1980 0.6389000      2.397000  
1 1 1 5  26 37  o 4.4530  1.1810 -0.5457000     2.362000  
1 1 1 5  26 38  o 3.7950  1.1610 0.7479000E-01  2.322000  
1 1 1 5  26 39  o 9.3730  0.9635 -0.4063000     1.927000  
1 1 1 5  26 40  o 3.9310  1.1890 -1.656000      2.377000  
1 1 1 5  26 41  o 5.3610  1.2940 0.6658000      2.589000  
1 1 1 5  26 42  o 4.2300  1.2830 -0.6027000     2.566000  
1 1 1 5  26 43  o 9.5770  1.1110 1.419000       2.223000  
1 1 1 5  26 44  f 7.5260  1.3490 -0.2022000     2.697000  
1 1 1 5  26 45  o 4.1970  1.2900 -0.5206000     2.580000  
1 1 1 5  26 46  o 4.5910  1.3500 -0.7612000     2.700000  
1 1 1 5  26 47  o 4.7740  1.3580 1.407000       2.715000  
1 1 1 5  26 48  o 4.0430  1.2690 -0.2429000     2.538000  
1 1 1 5  26 49  o 7.4180  1.3850 -0.4885000     2.770000  
1 1 1 5  26 50  o 6.6150  1.4380 -0.3027000     2.875000  
1 1 1 5  26 51  o 4.5080  1.3400 0.4652000      2.680000  
1 1 1 5  26 52  o 3.8690  1.2390 -0.2937000E-01 2.478000  
1 1 1 5  26 53  o 3.8490  1.2400 -0.3829000     2.480000  
1 1 1 5  26 54  o 6.2540  1.4610 0.7596000      2.921000  
1 1 1 5  26 55  f 5.1580  1.3850 1.537000       2.770000  
1 1 1 5  26 56  o 4.3520  1.3120 0.1117000      2.623000  
1 1 1 5  26 57  o 5.1920  1.4060 -0.4380000     2.812000  
1 1 1 5  26 58  o 4.2250  1.2860 1.426000       2.573000  
1 1 1 5  26 59  o 3.9400  1.2380 1.054000       2.475000  
1 1 1 5  26 60  o 4.2750  1.3050 1.396000       2.610000  
1 1 1 5  27 0   o 22.300  0.7822 -0.000000      0.000000  
1 1 1 5  27 1   o 19.340  0.5195 -2.048000      1.039000  
1 1 1 5  27 2   o 8.1960  0.8392 -2.128000      1.678000  
1 1 1 5  27 3   o 4.9770  1.1490 -0.3218000     2.299000  
1 1 1 5  27 4   o 3.6840  1.0750 -0.5838000     2.150000  
1 1 1 5  27 5   o 3.3660  1.0200 0.2051000      2.041000  
1 1 1 5  27 6   o 4.8360  1.1300 1.181000       2.260000  
1 1 1 5  27 7   o 4.0290  1.1210 -0.6431000     2.243000  
1 1 1 5  27 8   o 5.5580  1.1260 -1.022000      2.253000  
1 1 1 5  27 9   o 10.0000 0.6861 -0.1915000     1.372000  
1 1 1 5  27 10  f 13.550  0.5684 -0.3139000     1.137000  
1 1 1 5  27 11  o 10.360  0.7060 1.291000       1.412000  
1 1 1 5  27 12  o 13.230  0.5666 1.195000       1.133000  
1 1 1 5  27 13  o 16.580  0.4996 -0.2762000     0.9992000 
1 1 1 5  27 14  o 13.110  0.5777 0.2589000      1.155000  
1 1 1 5  27 15  o 12.070  0.6133 1.814000       1.227000  
1 1 1 5  27 16  o 9.4730  0.7548 -0.6447000     1.510000  
1 1 1 5  27 17  o 11.350  0.6744 0.7958000      1.349000  
1 1 1 5  27 18  o 6.8540  1.0340 0.8155000      2.069000  
1 1 1 5  27 19  o 4.6300  1.1610 0.9452000      2.321000  
1 1 1 5  27 20  f 13.980  0.5564 0.2437000      1.113000  
1 1 1 5  27 21  o 7.1390  1.0480 3.440000       2.095000  
1 1 1 5  27 22  o 7.3890  1.0080 0.5687000      2.016000  
1 1 1 5  27 23  o 20.280  0.4989 0.4765000      0.9978000 
1 1 1 5  27 24  o 15.680  0.5685 -2.798000      1.137000  
1 1 1 5  27 25  o 13.280  0.6059 -1.370000      1.212000  
1 1 1 5  27 26  o 8.2220  0.9344 0.4808000      1.869000  
1 1 1 5  27 27  o 9.8790  0.7593 -0.1880000     1.519000  
1 1 1 5  27 28  o 14.110  0.6001 0.8815000      1.200000  
1 1 1 5  27 29  o 10.960  0.7253 0.8473000      1.451000  
1 1 1 5  27 30  o 7.5220  1.0110 -0.5007000     2.023000  
1 1 1 5  27 31  o 5.5400  1.2020 -0.9975000     2.403000  
1 1 1 5  27 32  o 8.1220  0.9691 1.768000       1.938000  
1 1 1 5  27 33  o 3.8870  1.1610 0.2550000      2.323000  
1 1 1 5  27 34  f 8.3080  1.0080 2.368000       2.017000  
1 1 1 5  27 35  o 5.5490  1.2290 0.9334000      2.458000  
1 1 1 5  27 36  o 12.350  0.6980 -0.1240000     1.396000  
1 1 1 5  27 37  o 4.6600  1.2010 -1.153000      2.402000  
1 1 1 5  27 38  o 3.3140  1.0630 0.3426000      2.125000  
1 1 1 5  27 39  o 3.5550  1.1400 0.4909000E-01  2.281000  
1 1 1 5  27 40  o 3.7840  1.1560 0.6561000      2.313000  
1 1 1 5  27 41  o 10.720  1.0010 3.238000       2.003000  
1 1 1 5  27 42  o 7.8740  1.2050 -1.656000      2.409000  
1 1 1 5  27 43  o 3.3920  1.1330 -0.3879000E-01 2.265000  
1 1 1 5  27 44  o 5.9090  1.4370 -0.8620000     2.874000  
1 1 1 5  27 45  o 5.6750  1.4220 1.298000       2.844000  
1 1 1 5  27 46  o 5.3100  1.4190 0.5441000      2.839000  
1 1 1 5  27 47  o 5.0760  1.4000 0.1160000      2.800000  
1 1 1 5  27 48  f 7.2840  1.3870 0.1969000      2.773000  
1 1 1 5  27 49  o 3.3420  1.1320 0.6512000      2.265000  
1 1 1 5  27 50  o 7.3260  1.4050 -0.4472000E-01 2.810000  
1 1 1 5  27 51  o 3.8380  1.2300 -0.3100000     2.460000  
1 1 1 5  27 52  o 4.3500  1.3110 0.9056000      2.622000  
1 1 1 5  27 53  o 5.2880  1.3890 1.383000       2.778000  
1 1 1 5  27 54  o 3.1990  1.0890 -0.3434000     2.178000  
1 1 1 5  27 55  o 3.7460  1.2160 -0.4252000     2.432000  
1 1 1 5  27 56  o 3.5120  1.7790 ?              ?         
1 1 1 5  28 0   o 15.030  0.7318 0.000000       0.000000  
1 1 1 5  28 1   o 13.690  0.5574 -0.2596000     1.115000  
1 1 1 5  28 2   o 10.550  0.6925 -0.4591000     1.385000  
1 1 1 5  28 3   o 11.210  0.6423 -1.582000      1.285000  
1 1 1 5  28 4   o 9.7880  0.7128 -0.1418000     1.426000  
1 1 1 5  28 5   f 7.4350  0.9196 -1.044000      1.839000  
1 1 1 5  28 6   o 13.800  0.5563 -0.5989000     1.113000  
1 1 1 5  28 7   o 9.6110  0.7655 -0.4879000     1.531000  
1 1 1 5  28 8   o 6.3130  1.0690 -0.7657000     2.138000  
1 1 1 5  28 9   o 7.7400  0.9230 -1.480000      1.846000  
1 1 1 5  28 10  o 6.1690  1.0820 0.3770000      2.165000  
1 1 1 5  28 11  o 5.4520  1.1120 2.227000       2.224000  
1 1 1 5  28 12  o 11.340  0.6689 -0.5173000     1.338000  
1 1 1 5  28 13  o 16.470  0.5106 -1.251000      1.021000  
1 1 1 5  28 14  o 10.810  0.7213 -2.444000      1.443000  
1 1 1 5  28 15  o 4.2950  1.1480 -0.5700000     2.297000  
1 1 1 5  28 16  o 4.7870  1.1620 -0.4676000     2.324000  
1 1 1 5  28 17  o 10.060  0.7417 -0.3071000E-01 1.483000  
1 1 1 5  28 18  o 6.3740  1.1180 -0.4499000     2.237000  
1 1 1 5  28 19  o 5.9710  1.1980 0.7554000E-01  2.396000  
1 1 1 5  28 20  o 13.780  0.5887 1.097000       1.177000  
1 1 1 5  28 21  o 17.290  0.5208 0.6392000      1.042000  
1 1 1 5  28 22  o 13.320  0.6072 0.2715000      1.214000  
1 1 1 5  28 23  o 6.0900  1.1370 -2.307000      2.275000  
1 1 1 5  28 24  o 12.640  0.6579 -1.252000      1.316000  
1 1 1 5  28 25  o 11.860  0.6756 -1.196000      1.351000  
1 1 1 5  28 26  o 6.9390  1.0930 -0.1681000E-01 2.186000  
1 1 1 5  28 27  o 9.4720  0.8769 -0.3833000E-01 1.754000  
1 1 1 5  28 28  f 5.5110  1.2440 -0.6012000     2.488000  
1 1 1 5  28 29  o 13.610  0.6321 1.889000       1.264000  
1 1 1 5  28 30  f 16.900  0.5619 -1.201000      1.124000  
1 1 1 5  28 31  o 6.5240  1.1590 0.4412000E-01  2.318000  
1 1 1 5  28 32  o 6.5870  1.1900 0.6718000      2.380000  
1 1 1 5  28 33  o 7.2200  1.1170 -1.801000      2.233000  
1 1 1 5  28 34  o 3.9930  1.1510 -0.6318000     2.303000  
1 1 1 5  28 35  o 3.9530  1.1570 0.4433000      2.313000  
1 1 1 5  28 36  o 7.4240  1.0390 2.534000       2.079000  
1 1 1 5  28 37  o 3.1180  1.0150 0.2459000      2.029000  
1 1 1 5  28 38  o 3.3970  1.0780 0.3626000      2.155000  
1 1 1 5  28 39  f 4.1910  1.1770 0.3608000      2.355000  
1 1 1 5  28 40  o 3.9640  1.1930 -0.7376000     2.385000  
1 1 1 5  28 41  o 4.6860  1.0640 3.968000       2.128000  
1 1 1 5  28 42  o 3.8490  1.1870 -0.1944000     2.374000  
1 1 1 5  28 43  o 4.1810  1.2460 -1.958000      2.491000  
1 1 1 5  28 44  o 6.9830  1.3900 1.891000       2.779000  
1 1 1 5  28 45  o 4.5790  1.3520 -0.6030000     2.703000  
1 1 1 5  28 46  o 3.7160  1.2020 1.057000       2.403000  
1 1 1 5  28 47  o 3.8780  1.2360 -0.9229000     2.472000  
1 1 1 5  28 48  o 7.0980  1.4040 0.6879000      2.809000  
1 1 1 5  28 49  f 4.6040  1.3410 -0.9919000     2.682000  
1 1 1 5  28 50  o 3.5330  1.1750 0.1442000      2.350000  
1 1 1 5  28 51  o 6.5980  2.2670 ?              ?         
1 1 1 5  28 52  o 3.5160  1.7890 ?              ?         
1 1 1 5  29 0   o 3.9710  1.9990 -0.000000      0.000000  
1 1 1 5  29 1   o 6.1030  1.1250 0.8790000      2.251000  
1 1 1 5  29 2   o 9.0400  0.8188 -2.049000      1.638000  
1 1 1 5  29 3   o 9.8800  0.7102 0.9903000      1.420000  
1 1 1 5  29 4   o 6.6220  1.0500 -0.1009000     2.100000  
1 1 1 5  29 5   o 7.8160  0.9810 2.643000       1.962000  
1 1 1 5  29 6   o 6.3820  1.0850 -1.919000      2.170000  
1 1 1 5  29 7   o 4.3990  1.1520 -0.1356000     2.303000  
1 1 1 5  29 8   o 6.9670  1.0300 0.7282000      2.059000  
1 1 1 5  29 9   o 7.5930  0.9780 -2.602000      1.956000  
1 1 1 5  29 10  o 8.3360  0.9022 0.4513000      1.804000  
1 1 1 5  29 11  o 11.630  0.6716 -0.2978000     1.343000  
1 1 1 5  29 12  o 15.110  0.5470 0.4066000      1.094000  
1 1 1 5  29 13  o 18.280  0.5086 -1.255000      1.017000  
1 1 1 5  29 14  o 10.770  0.7324 -1.530000      1.465000  
1 1 1 5  29 15  o 6.8920  1.0790 -1.062000      2.159000  
1 1 1 5  29 16  o 8.3350  0.9271 -1.517000      1.854000  
1 1 1 5  29 17  o 13.180  0.6053 -0.4054000     1.211000  
1 1 1 5  29 18  o 13.280  0.6081 -0.5014000     1.216000  
1 1 1 5  29 19  o 6.9360  1.1280 0.4738000      2.255000  
1 1 1 5  29 20  f 6.3670  1.1220 2.496000       2.244000  
1 1 1 5  29 21  o 6.5570  1.1160 -0.1028000     2.231000  
1 1 1 5  29 22  f 8.6100  0.9023 0.1517000      1.805000  
1 1 1 5  29 23  f 6.5140  1.1260 -0.9954000E-01 2.252000  
1 1 1 5  29 24  f 5.9520  1.1760 1.444000       2.352000  
1 1 1 5  29 25  o 11.540  0.7282 1.239000       1.456000  
1 1 1 5  29 26  o 8.8640  0.8797 -0.7370000     1.759000  
1 1 1 5  29 27  o 4.7190  1.1650 -1.709000      2.329000  
1 1 1 5  29 28  o 4.0210  1.1500 -0.7506000     2.301000  
1 1 1 5  29 29  o 13.770  0.6059 0.7466000      1.212000  
1 1 1 5  29 30  o 5.9930  1.2040 0.7446000      2.408000  
1 1 1 5  29 31  o 4.3910  1.2030 -0.5421000     2.406000  
1 1 1 5  29 32  o 4.0770  1.1640 -0.1127000     2.329000  
1 1 1 5  29 33  o 7.6760  1.0240 -0.8401000     2.048000  
1 1 1 5  29 34  o 12.850  0.6617 1.709000       1.323000  
1 1 1 5  29 35  o 6.6030  1.1490 -1.678000      2.298000  
1 1 1 5  29 36  o 4.0860  1.1240 1.886000       2.248000  
1 1 1 5  29 37  o 8.5990  0.9502 0.9590000      1.900000  
1 1 1 5  29 38  o 3.5970  1.0940 1.240000       2.188000  
1 1 1 5  29 39  o 3.6410  1.1050 -0.2274000     2.211000  
1 1 1 5  29 40  o 5.8330  1.3050 0.3561000      2.610000  
1 1 1 5  29 41  o 3.8300  1.1650 1.301000       2.331000  
1 1 1 5  29 42  o 5.5080  1.3080 1.345000       2.616000  
1 1 1 5  29 43  o 5.0020  1.3210 -0.8839000     2.642000  
1 1 1 5  29 44  o 3.5920  1.1690 -0.4478000     2.337000  
1 1 1 5  29 45  o 3.9330  1.3720 1.301000       2.743000  
1 1 1 5  29 46  o 3.2740  1.1800 -0.3062000     2.360000  
1 1 1 5  30 0   o 1.9970  1.3820 0.000000       0.000000  
1 1 1 5  30 1   o 7.6960  0.9575 -1.346000      1.915000  
1 1 1 5  30 2   o 10.340  0.7432 -0.2931000     1.486000  
1 1 1 5  30 3   o 4.4130  1.1610 1.105000       2.322000  
1 1 1 5  30 4   o 3.8840  1.0970 1.366000       2.193000  
1 1 1 5  30 5   o 4.1150  1.1470 0.5639000E-01  2.295000  
1 1 1 5  30 6   o 7.3700  0.9987 1.368000       1.997000  
1 1 1 5  30 7   o 7.1770  1.0100 -1.505000      2.021000  
1 1 1 5  30 8   o 6.0210  1.1120 -2.003000      2.225000  
1 1 1 5  30 9   o 10.720  0.7218 0.1520000      1.444000  
1 1 1 5  30 10  o 12.700  0.6368 -0.4383000     1.274000  
1 1 1 5  30 11  o 11.320  0.6983 -0.5946000     1.397000  
1 1 1 5  30 12  o 9.5970  0.8215 1.368000       1.643000  
1 1 1 5  30 13  o 4.8400  1.2050 1.092000       2.411000  
1 1 1 5  30 14  f 5.6480  1.1450 -2.038000      2.291000  
1 1 1 5  30 15  o 5.0940  1.1860 -1.609000      2.372000  
1 1 1 5  30 16  f 4.7350  1.2060 0.2937000      2.413000  
1 1 1 5  30 17  o 7.1140  1.0520 -1.152000      2.103000  
1 1 1 5  30 18  o 6.0280  1.1480 1.013000       2.297000  
1 1 1 5  30 19  o 5.1480  1.1860 -0.7860000     2.373000  
1 1 1 5  30 20  o 4.1510  1.1410 -0.8557000     2.283000  
1 1 1 5  30 21  o 5.2000  1.2000 -0.5469000     2.400000  
1 1 1 5  30 22  o 4.5350  1.1960 1.039000       2.391000  
1 1 1 5  30 23  o 5.3560  1.1870 -1.055000      2.374000  
1 1 1 5  30 24  o 4.3250  1.1720 1.323000       2.343000  
1 1 1 5  30 25  o 4.4070  1.0840 -2.769000      2.167000  
1 1 1 5  30 26  o 3.5880  1.1050 0.3253000      2.211000  
1 1 1 5  30 27  o 4.4370  1.1950 1.061000       2.389000  
1 1 1 5  30 28  f 3.5440  1.0950 0.4945000      2.189000  
1 1 1 5  30 29  o 4.5570  1.2120 -0.6327000     2.425000  
1 1 1 5  30 30  o 4.6390  1.2210 0.3620000      2.443000  
1 1 1 5  30 31  o 3.7730  1.1310 0.1974000      2.262000  
1 1 1 5  30 32  o 7.9060  1.0240 2.095000       2.048000  
1 1 1 5  30 33  o 6.0120  1.2390 0.7842000      2.478000  
1 1 1 5  30 34  o 3.8070  1.1380 0.3054000      2.277000  
1 1 1 5  30 35  o 3.7360  1.1200 0.6478000      2.241000  
1 1 1 5  30 36  o 4.6400  1.2200 0.3736000      2.439000  
1 1 1 5  30 37  o 4.4680  1.2800 1.464000       2.560000  
1 1 1 5  30 38  f 4.4880  1.3800 -0.4508000     2.760000  
1 1 1 5  30 39  o 4.0840  1.4320 -0.1116000     2.864000  
1 1 1 5  31 0   o 9.2490  1.2020 -0.000000      0.000000  
1 1 1 5  31 1   o 11.180  0.7077 -0.9124000     1.415000  
1 1 1 5  31 2   o 8.0260  0.9748 -0.6882000     1.950000  
1 1 1 5  31 3   o 5.9280  1.1510 1.260000       2.302000  
1 1 1 5  31 4   o 5.5020  1.1170 2.507000       2.234000  
1 1 1 5  31 5   o 4.1170  1.1410 -0.6474000     2.283000  
1 1 1 5  31 6   o 6.4320  1.1050 -2.264000      2.210000  
1 1 1 5  31 7   o 9.5530  0.8201 1.401000       1.640000  
1 1 1 5  31 8   o 5.2010  1.1990 0.5921000      2.398000  
1 1 1 5  31 9   o 4.0800  1.1500 -0.4550000     2.300000  
1 1 1 5  31 10  o 9.1810  0.8362 -1.385000      1.672000  
1 1 1 5  31 11  o 6.7330  1.1320 -0.4569000E-01 2.264000  
1 1 1 5  31 12  f 6.3810  1.1220 -1.370000      2.244000  
1 1 1 5  31 13  o 5.4070  1.1780 1.027000       2.356000  
1 1 1 5  31 14  f 4.1190  1.1420 -1.241000      2.283000  
1 1 1 5  31 15  f 6.1200  1.1890 0.4024000E-01  2.378000  
1 1 1 5  31 16  o 3.5940  1.0920 -0.2136000     2.185000  
1 1 1 5  31 17  o 2.8090  0.9418 -0.2606000     1.884000  
1 1 1 5  31 18  o 4.1180  1.1210 2.100000       2.241000  
1 1 1 5  31 19  f 3.9630  1.1480 0.5981000      2.296000  
1 1 1 5  31 20  o 4.5130  1.1780 0.8215000      2.355000  
1 1 1 5  31 21  o 4.6610  1.1990 0.4528000      2.397000  
1 1 1 5  31 22  o 3.5990  1.0980 -1.385000      2.196000  
1 1 1 5  31 23  o 4.1240  1.1350 -2.043000      2.269000  
1 1 1 5  31 24  o 3.9890  1.1560 -0.2217000     2.312000  
1 1 1 5  31 25  f 4.1290  1.1580 0.9507000      2.317000  
1 1 1 5  31 26  o 4.1200  1.1640 -1.107000      2.329000  
1 1 1 5  31 27  o 5.3260  1.2180 -1.181000      2.436000  
1 1 1 5  31 28  o 3.6220  1.0920 -1.041000      2.184000  
1 1 1 5  31 29  o 5.0600  1.4760 0.3059000      2.952000  
1 1 1 5  31 30  o 4.4440  1.5010 -1.054000      3.002000  
1 1 1 5  31 31  o 3.5520  1.7850 ?              ?         
1 1 1 5  32 0   o 5.7040  1.9960 -0.000000      0.000000  
1 1 1 5  32 1   o 5.8510  1.1920 0.1659000      2.384000  
1 1 1 5  32 2   o 5.8900  1.1570 -2.331000      2.314000  
1 1 1 5  32 3   o 7.7520  1.0410 -0.6071000     2.081000  
1 1 1 5  32 4   o 6.0990  1.1620 2.743000       2.325000  
1 1 1 5  32 5   o 3.9770  1.1420 1.230000       2.284000  
1 1 1 5  32 6   o 3.4730  1.0850 0.3424000      2.169000  
1 1 1 5  32 7   f 5.5550  1.2280 0.1829000      2.456000  
1 1 1 5  32 8   o 4.5360  1.2230 0.3457000      2.445000  
1 1 1 5  32 9   o 5.9830  1.2270 -0.1203000     2.454000  
1 1 1 5  32 10  o 4.1190  1.1660 -0.7518000     2.332000  
1 1 1 5  32 11  o 3.4970  1.0840 0.5318000      2.168000  
1 1 1 5  32 12  o 4.5090  1.1910 -0.6863000     2.381000  
1 1 1 5  32 13  o 4.2670  1.1890 -0.7053000     2.379000  
1 1 1 5  32 14  o 4.2700  1.2460 -0.9723000E-01 2.492000  
1 1 1 5  32 15  o 5.1010  1.3140 1.018000       2.628000  
1 1 1 5  32 16  o 3.4700  1.1810 0.3379000E-01  2.362000  
1 1 1 5  32 17  o 3.4620  1.7290 ?              ?         
1 1 1 6  0  2   o 74.200  2.9080 0.000000       0.000000  
1 1 1 6  0  3   o 90.490  3.5540 0.000000       0.000000  
1 1 1 6  0  4   f 54.860  2.1520 0.000000       0.000000  
1 1 1 6  0  5   o 0.9409  0.5855 -0.000000      0.000000  
1 1 1 6  0  13  o 1.0530  0.7275 0.000000       0.000000  
1 1 1 6  0  14  o 5.4640  0.6456 0.000000       0.000000  
1 1 1 6  0  15  o 26.640  0.7567 0.000000       0.000000  
1 1 1 6  0  16  o 21.810  0.9107 0.000000       0.000000  
1 1 1 6  0  17  f 18.370  0.8039 0.000000       0.000000  
1 1 1 6  0  18  o 148.800 5.9090 0.000000       0.000000  
1 1 1 6  0  19  o 9.6680  0.7763 0.000000       0.000000  
1 1 1 6  0  20  o 20.910  0.8986 0.000000       0.000000  
1 1 1 6  0  21  o 49.800  1.9650 -0.000000      0.000000  
1 1 1 6  0  22  o 77.940  3.0690 0.000000       0.000000  
1 1 1 6  0  23  o 10.330  0.8641 0.000000       0.000000  
1 1 1 6  0  24  o 58.250  2.3040 0.000000       0.000000  
1 1 1 6  0  25  o 43.330  1.7290 0.000000       0.000000  
1 1 1 6  0  26  o 24.720  1.0650 0.000000       0.000000  
1 1 1 6  0  27  o 10.890  0.9634 -0.000000      0.000000  
1 1 1 6  0  28  o 15.210  0.9006 0.000000       0.000000  
1 1 1 6  0  29  o 25.940  1.1220 0.000000       0.000000  
1 1 1 6  0  30  o 6.5560  1.8030 0.000000       0.000000  
1 1 1 6  0  31  o 17.270  0.9787 -0.000000      0.000000  
1 1 1 6  0  32  o 50.960  2.0410 0.000000       0.000000  
1 1 1 6  0  33  o 38.890  1.5930 0.000000       0.000000  
1 1 1 6  0  34  o 25.450  1.1550 0.000000       0.000000  
1 1 1 6  0  35  o 15.230  1.0380 -0.000000      0.000000  
1 1 1 6  0  36  o 11.080  1.2560 0.000000       0.000000  
1 1 1 6  0  37  o 34.820  1.4610 0.000000       0.000000  
1 1 1 6  0  38  o 7.6410  2.0970 0.000000       0.000000  
1 1 1 6  0  39  o 7.5480  2.2050 -0.000000      0.000000  
1 1 1 6  0  40  o 5.0730  2.3390 -0.000000      0.000000  
1 1 1 6  0  81  o 6.0380  3.8190 0.000000       0.000000  
1 1 1 6  0  82  f 8.0720  4.3600 -0.000000      0.000000  
1 1 1 6  0  83  f 4.1400  2.9600 -0.000000      0.000000  
1 1 1 6  0  84  o 5.9230  3.8250 0.000000       0.000000  
1 1 1 6  0  85  o 5.5470  3.6520 0.000000       0.000000  
1 1 1 6  0  86  o 5.8900  3.7660 -0.000000      0.000000  
1 1 1 6  0  87  o 6.7770  4.0840 0.000000       0.000000  
1 1 1 6  0  88  o 5.5320  3.6400 -0.000000      0.000000  
1 1 1 6  0  89  o 5.5210  3.5890 -0.000000      0.000000  
1 1 1 6  0  90  o 5.8370  3.7880 0.000000       0.000000  
1 1 1 6  0  91  f 4.5500  3.1610 0.000000       0.000000  
1 1 1 6  0  92  o 7.2770  4.2550 0.000000       0.000000  
1 1 1 6  0  93  o 4.7800  3.2310 -0.000000      0.000000  
1 1 1 6  0  94  o 5.1470  3.3960 0.000000       0.000000  
1 1 1 6  0  95  o 4.4560  3.0190 0.000000       0.000000  
1 1 1 6  0  96  o 5.1450  3.3790 -0.000000      0.000000  
1 1 1 6  0  97  o 3.3540  2.4190 0.000000       0.000000  
1 1 1 6  0  98  f 3.4530  2.4290 0.000000       0.000000  
1 1 1 6  0  99  o 3.1280  2.1620 0.000000       0.000000  
1 1 1 6  1  0   o 84.360  3.3030 0.000000       0.000000  
1 1 1 6  1  1   o 90.720  2.5150 -2.168000      5.029000  
1 1 1 6  1  2   o 79.320  3.1020 ?              ?         
1 1 1 6  1  3   o 27.890  1.1020 -53.36000      2.203000  
1 1 1 6  1  4   f 67.100  2.6200 ?              ?         
1 1 1 6  1  5   o 29.840  1.1790 -55.95000      2.359000  
1 1 1 6  1  6   o 28.640  1.1360 -54.26000      2.273000  
1 1 1 6  1  7   o 14.950  0.6469 -26.95000      1.294000  
1 1 1 6  1  8   o 1.8110  0.7216 ?              ?         
1 1 1 6  1  9   o 5.3210  0.4880 ?              ?         
1 1 1 6  1  10  o 26.430  1.0410 ?              ?         
1 1 1 6  1  11  o 33.740  1.3230 ?              ?         
1 1 1 6  1  12  o 73.620  2.8800 ?              ?         
1 1 1 6  1  13  o 38.120  1.4960 ?              ?         
1 1 1 6  1  14  o 26.900  1.0740 ?              ?         
1 1 1 6  1  15  o 52.800  1.2790 3.193000       2.559000  
1 1 1 6  1  16  o 74.910  1.7900 -1.702000      3.579000  
1 1 1 6  1  17  o 39.240  0.9440 -0.6584000     1.888000  
1 1 1 6  1  18  f 64.640  1.7930 0.6174000      3.586000  
1 1 1 6  1  19  o 14.540  0.5316 0.1429000      1.063000  
1 1 1 6  1  20  o 46.080  1.2850 -1.018000      2.571000  
1 1 1 6  1  21  o 27.020  0.7885 -1.231000      1.577000  
1 1 1 6  1  22  o 30.600  0.8811 -0.7227000     1.762000  
1 1 1 6  1  23  o 10.150  0.6129 -0.1324000     1.226000  
1 1 1 6  1  24  o 26.830  0.7943 0.4088000      1.589000  
1 1 1 6  1  25  o 29.290  1.2060 ?              ?         
1 1 1 6  1  26  f 24.640  1.0590 ?              ?         
1 1 1 6  1  27  o 18.930  0.9243 ?              ?         
1 1 1 6  1  28  o 22.670  1.0170 ?              ?         
1 1 1 6  1  29  o 28.780  1.2080 ?              ?         
1 1 1 6  1  30  o 10.400  1.0660 ?              ?         
1 1 1 6  1  31  o 34.320  1.4130 ?              ?         
1 1 1 6  1  32  o 11.990  1.1060 ?              ?         
1 1 1 6  1  33  o 7.0830  1.7140 ?              ?         
1 1 1 6  1  34  o 37.640  1.5480 ?              ?         
1 1 1 6  1  35  o 20.670  1.0560 ?              ?         
1 1 1 6  1  36  o 21.970  1.0990 ?              ?         
1 1 1 6  1  37  o 5.4930  1.9000 ?              ?         
1 1 1 6  1  38  o 41.560  1.7180 ?              ?         
1 1 1 6  1  39  o 9.4610  1.6850 ?              ?         
1 1 1 6  1  40  o 35.420  1.5020 ?              ?         
1 1 1 6  1  41  f 18.590  1.1870 ?              ?         
1 1 1 6  1  42  o 19.770  1.1870 ?              ?         
1 1 1 6  1  43  o 8.8940  2.0300 ?              ?         
1 1 1 6  1  44  o 27.910  1.3350 ?              ?         
1 1 1 6  1  45  o 40.790  1.7140 ?              ?         
1 1 1 6  1  46  o 23.980  1.3360 ?              ?         
1 1 1 6  1  47  o 52.410  2.1520 ?              ?         
1 1 1 6  1  48  o 25.340  1.3950 ?              ?         
1 1 1 6  1  49  f 16.970  1.5570 ?              ?         
1 1 1 6  1  50  o 32.190  1.4910 ?              ?         
1 1 1 6  1  51  o 42.890  1.8290 ?              ?         
1 1 1 6  1  52  o 41.930  1.8120 ?              ?         
1 1 1 6  1  53  o 29.880  1.5430 ?              ?         
1 1 1 6  1  54  f 13.320  2.1090 ?              ?         
1 1 1 6  1  55  o 16.810  1.6090 ?              ?         
1 1 1 6  1  56  o 10.720  2.5420 ?              ?         
1 1 1 6  1  57  o 43.920  1.9220 ?              ?         
1 1 1 6  1  58  o 19.450  1.7560 ?              ?         
1 1 1 6  1  59  o 14.180  2.3680 ?              ?         
1 1 1 6  1  60  o 8.8340  3.0480 ?              ?         
1 1 1 6  1  61  o 14.140  2.5840 ?              ?         
1 1 1 6  1  62  o 31.610  1.7760 ?              ?         
1 1 1 6  1  63  o 6.3310  2.7990 ?              ?         
1 1 1 6  1  64  o 7.8190  3.0850 ?              ?         
1 1 1 6  1  65  o 7.2370  3.0440 ?              ?         
1 1 1 6  1  66  o 12.350  3.2320 ?              ?         
1 1 1 6  1  67  o 23.370  2.0920 ?              ?         
1 1 1 6  1  68  o 9.3730  3.1800 ?              ?         
1 1 1 6  1  69  o 6.6880  2.9110 ?              ?         
1 1 1 6  1  70  o 22.130  2.1680 ?              ?         
1 1 1 6  1  71  o 9.5530  3.6600 ?              ?         
1 1 1 6  1  72  o 11.870  3.7230 ?              ?         
1 1 1 6  1  73  f 9.3280  3.6960 ?              ?         
1 1 1 6  1  74  o 15.770  3.5880 ?              ?         
1 1 1 6  1  75  o 8.1630  3.5260 ?              ?         
1 1 1 6  1  76  o 10.300  3.8240 ?              ?         
1 1 1 6  1  77  o 7.6870  3.4140 ?              ?         
1 1 1 6  1  78  f 13.160  3.8720 ?              ?         
1 1 1 6  1  79  f 11.060  3.8990 ?              ?         
1 1 1 6  1  80  o 10.360  3.9090 ?              ?         
1 1 1 6  1  81  o 7.5910  3.4230 ?              ?         
1 1 1 6  1  82  o 7.8680  3.4980 ?              ?         
1 1 1 6  1  83  o 6.7980  3.1840 ?              ?         
1 1 1 6  1  84  o 8.0760  3.5150 ?              ?         
1 1 1 6  1  85  o 5.6930  2.7420 ?              ?         
1 1 1 6  1  86  o 6.5670  3.0400 ?              ?         
1 1 1 6  1  87  o 5.8220  2.8090 ?              ?         
1 1 1 6  1  88  o 7.4280  3.4270 ?              ?         
1 1 1 6  1  89  o 5.7610  2.8370 ?              ?         
1 1 1 6  1  90  o 5.6060  2.7520 ?              ?         
1 1 1 6  1  91  o 6.6250  3.1000 ?              ?         
1 1 1 6  1  92  f 5.2430  2.5950 ?              ?         
1 1 1 6  1  93  o 6.6180  3.0760 ?              ?         
1 1 1 6  1  94  o 5.6930  2.7180 ?              ?         
1 1 1 6  1  95  o 4.8040  2.3710 ?              ?         
1 1 1 6  1  96  o 5.7440  2.6820 ?              ?         
1 1 1 6  1  97  o 5.4500  2.6280 ?              ?         
1 1 1 6  1  98  o 5.0580  2.3990 ?              ?         
1 1 1 6  1  99  o 4.0320  1.9550 ?              ?         
1 1 1 6  2  0   o 18.220  0.4301 -0.000000      0.000000  
1 1 1 6  2  1   o 23.980  0.4374 -0.3494000     0.8749000 
1 1 1 6  2  2   o 77.950  1.5190 2.176000       3.038000  
1 1 1 6  2  3   o 78.640  1.3940 3.328000       2.788000  
1 1 1 6  2  4   o 31.890  0.6279 -0.3318000     1.256000  
1 1 1 6  2  5   o 28.100  0.5583 0.6503000      1.117000  
1 1 1 6  2  6   o 44.380  1.0630 0.3078000      2.126000  
1 1 1 6  2  7   o 63.920  1.5360 1.881000       3.072000  
1 1 1 6  2  8   o 56.680  2.2110 ?              ?         
1 1 1 6  2  9   o 43.970  1.7160 ?              ?         
1 1 1 6  2  10  o 50.090  1.3840 -1.138000      2.767000  
1 1 1 6  2  11  o 14.010  0.4520 2.024000       0.9041000 
1 1 1 6  2  12  o 53.960  1.4910 0.7714000      2.982000  
1 1 1 6  2  13  o 79.970  2.2190 -1.772000      4.439000  
1 1 1 6  2  14  o 75.610  2.0970 -1.373000      4.193000  
1 1 1 6  2  15  o 26.980  0.7687 0.5305000      1.537000  
1 1 1 6  2  16  o 56.030  1.5530 0.7134000E-01  3.106000  
1 1 1 6  2  17  o 47.230  1.3120 0.9237000      2.625000  
1 1 1 6  2  18  o 58.820  1.6350 1.062000       3.270000  
1 1 1 6  2  19  o 45.590  1.2720 -0.1835000     2.544000  
1 1 1 6  2  20  o 51.680  1.4420 -3.735000      2.885000  
1 1 1 6  2  21  o 44.530  1.2460 -0.8801000E-01 2.491000  
1 1 1 6  2  22  o 31.230  0.8986 0.2649000      1.797000  
1 1 1 6  2  23  o 53.310  1.4940 0.4776000      2.988000  
1 1 1 6  2  24  o 47.820  1.3420 0.6282000      2.685000  
1 1 1 6  2  25  o 41.190  1.1670 0.5752000      2.335000  
1 1 1 6  2  26  o 32.120  0.9317 1.398000       1.863000  
1 1 1 6  2  27  o 15.490  0.6419 -0.3174000     1.284000  
1 1 1 6  2  28  o 45.810  1.2980 -0.2233000     2.596000  
1 1 1 6  2  29  o 22.850  0.7366 -0.4663000     1.473000  
1 1 1 6  2  30  o 23.990  0.7692 0.4027000      1.538000  
1 1 1 6  2  31  o 27.190  0.8410 -0.3858000     1.682000  
1 1 1 6  2  32  o 13.600  1.0120 ?              ?         
1 1 1 6  2  33  f 32.660  1.3710 ?              ?         
1 1 1 6  2  34  o 40.060  1.6430 ?              ?         
1 1 1 6  2  35  o 33.370  1.4140 ?              ?         
1 1 1 6  2  36  o 15.260  1.0920 ?              ?         
1 1 1 6  2  37  o 38.660  1.6010 ?              ?         
1 1 1 6  2  38  o 29.500  1.3060 ?              ?         
1 1 1 6  2  39  o 20.570  1.1480 ?              ?         
1 1 1 6  2  40  o 24.260  1.2110 ?              ?         
1 1 1 6  2  41  o 25.020  1.2480 ?              ?         
1 1 1 6  2  42  o 22.740  1.2160 ?              ?         
1 1 1 6  2  43  o 16.640  1.3150 ?              ?         
1 1 1 6  2  44  o 26.550  1.3160 ?              ?         
1 1 1 6  2  45  o 13.690  1.4790 ?              ?         
1 1 1 6  2  46  o 18.430  1.3840 ?              ?         
1 1 1 6  2  47  o 41.120  1.7530 ?              ?         
1 1 1 6  2  48  o 14.490  1.7760 ?              ?         
1 1 1 6  2  49  o 27.330  1.3880 ?              ?         
1 1 1 6  2  50  o 47.260  1.9690 ?              ?         
1 1 1 6  2  51  o 38.120  1.6910 ?              ?         
1 1 1 6  2  52  o 12.610  2.0700 ?              ?         
1 1 1 6  2  53  f 37.920  1.7110 ?              ?         
1 1 1 6  2  54  o 38.620  1.7340 ?              ?         
1 1 1 6  2  55  o 30.040  1.5490 ?              ?         
1 1 1 6  2  56  o 33.110  1.6150 ?              ?         
1 1 1 6  2  57  o 37.800  1.7560 ?              ?         
1 1 1 6  2  58  o 29.210  1.6210 ?              ?         
1 1 1 6  2  59  o 21.580  1.5940 ?              ?         
1 1 1 6  2  60  o 30.470  1.6650 ?              ?         
1 1 1 6  2  61  o 9.6130  3.0040 ?              ?         
1 1 1 6  2  62  o 27.030  1.7420 ?              ?         
1 1 1 6  2  63  o 17.910  2.1880 ?              ?         
1 1 1 6  2  64  o 19.310  1.9240 ?              ?         
1 1 1 6  2  65  o 19.780  1.9540 ?              ?         
1 1 1 6  2  66  o 13.430  2.9890 ?              ?         
1 1 1 6  2  67  o 12.080  3.1980 ?              ?         
1 1 1 6  2  68  o 25.000  1.9920 ?              ?         
1 1 1 6  2  69  o 20.270  2.3710 ?              ?         
1 1 1 6  2  70  o 9.8150  3.5450 ?              ?         
1 1 1 6  2  71  o 9.4810  3.5390 ?              ?         
1 1 1 6  2  72  o 5.8960  2.8090 ?              ?         
1 1 1 6  2  73  o 15.160  3.3670 ?              ?         
1 1 1 6  2  74  o 9.9100  3.7270 ?              ?         
1 1 1 6  2  75  o 10.040  3.7510 ?              ?         
1 1 1 6  2  76  o 8.0400  3.4690 ?              ?         
1 1 1 6  2  77  o 9.0160  3.6650 ?              ?         
1 1 1 6  2  78  o 10.290  3.8550 ?              ?         
1 1 1 6  2  79  o 8.2250  3.5620 ?              ?         
1 1 1 6  2  80  o 8.4900  3.6330 ?              ?         
1 1 1 6  2  81  o 11.830  4.0830 ?              ?         
1 1 1 6  2  82  o 8.1000  3.5830 ?              ?         
1 1 1 6  2  83  o 11.370  4.0820 ?              ?         
1 1 1 6  2  84  f 6.1210  2.9580 ?              ?         
1 1 1 6  2  85  o 7.8010  3.4790 ?              ?         
1 1 1 6  2  86  o 7.0600  3.2830 ?              ?         
1 1 1 6  2  87  o 6.0910  2.9510 ?              ?         
1 1 1 6  2  88  o 6.1820  2.9890 ?              ?         
1 1 1 6  2  89  o 12.840  4.0370 ?              ?         
1 1 1 6  2  90  o 6.0590  2.8960 ?              ?         
1 1 1 6  2  91  o 6.0130  2.8720 ?              ?         
1 1 1 6  2  92  o 5.1600  2.5580 ?              ?         
1 1 1 6  2  93  o 5.1050  2.5370 ?              ?         
1 1 1 6  2  94  o 5.9730  2.8770 ?              ?         
1 1 1 6  2  95  o 4.9120  2.4250 ?              ?         
1 1 1 6  2  96  o 5.8410  2.7250 ?              ?         
1 1 1 6  2  97  o 4.4180  2.1910 ?              ?         
1 1 1 6  2  98  o 3.3260  1.6930 ?              ?         
1 1 1 6  3  0   f 96.070  1.8650 -0.000000      0.000000  
1 1 1 6  3  1   o 48.790  0.6736 -1.075000      1.347000  
1 1 1 6  3  2   o 31.490  0.4729 0.2377000      0.9457000 
1 1 1 6  3  3   o 30.800  0.5268 -0.1536000     1.054000  
1 1 1 6  3  4   o 89.370  1.5090 -0.6252000     3.019000  
1 1 1 6  3  5   o 51.690  0.8723 0.1571000      1.745000  
1 1 1 6  3  6   o 87.920  1.4710 4.393000       2.942000  
1 1 1 6  3  7   o 54.080  0.9640 -0.7506000     1.928000  
1 1 1 6  3  8   o 48.130  1.1470 -1.103000      2.293000  
1 1 1 6  3  9   f 65.380  1.5560 -1.728000      3.111000  
1 1 1 6  3  10  o 54.080  1.3000 1.576000       2.599000  
1 1 1 6  3  11  o 43.350  1.0390 -0.1160000     2.079000  
1 1 1 6  3  12  o 50.580  1.2150 1.006000       2.431000  
1 1 1 6  3  13  o 67.670  1.6250 0.9361000      3.250000  
1 1 1 6  3  14  o 65.680  1.5860 2.806000       3.172000  
1 1 1 6  3  15  o 19.130  0.5096 -0.1196000     1.019000  
1 1 1 6  3  16  o 31.360  0.7625 -1.550000      1.525000  
1 1 1 6  3  17  o 14.840  0.4630 1.798000       0.9260000 
1 1 1 6  3  18  f 19.270  0.5277 -0.2696000     1.055000  
1 1 1 6  3  19  o 21.730  0.5685 -2.529000      1.137000  
1 1 1 6  3  20  o 51.530  1.2440 0.3644000      2.489000  
1 1 1 6  3  21  o 8.6020  0.5975 -0.1925000     1.195000  
1 1 1 6  3  22  o 16.870  0.5297 -0.2733000     1.059000  
1 1 1 6  3  23  o 26.500  0.6893 0.6105000      1.379000  
1 1 1 6  3  24  o 29.960  1.2490 ?              ?         
1 1 1 6  3  25  o 33.410  0.9636 -0.6801000     1.927000  
1 1 1 6  3  26  o 22.480  0.7223 0.3884000      1.445000  
1 1 1 6  3  27  o 44.220  1.2530 0.6913000      2.507000  
1 1 1 6  3  28  o 22.150  0.7250 0.5751000      1.450000  
1 1 1 6  3  29  o 18.430  0.6881 -0.5959000     1.376000  
1 1 1 6  3  30  o 12.920  0.7196 1.012000       1.439000  
1 1 1 6  3  31  o 40.440  1.1660 -0.3729000     2.331000  
1 1 1 6  3  32  o 21.650  0.7550 -0.3490000     1.510000  
1 1 1 6  3  33  o 28.720  0.8940 0.1243000      1.788000  
1 1 1 6  3  34  o 17.200  0.7522 -1.166000      1.504000  
1 1 1 6  3  35  o 43.510  1.2640 -1.696000      2.529000  
1 1 1 6  3  36  o 50.090  1.4390 0.3958000      2.878000  
1 1 1 6  3  37  f 12.520  1.0000 0.2590000      2.000000  
1 1 1 6  3  38  o 22.890  0.8495 0.8246000      1.699000  
1 1 1 6  3  39  o 38.650  1.1490 0.9230000      2.297000  
1 1 1 6  3  40  o 33.230  1.4560 ?              ?         
1 1 1 6  3  41  o 22.550  1.2320 ?              ?         
1 1 1 6  3  42  o 12.650  1.5900 ?              ?         
1 1 1 6  3  43  o 33.760  1.4950 ?              ?         
1 1 1 6  3  44  o 27.100  1.2970 ?              ?         
1 1 1 6  3  45  o 33.320  1.4990 ?              ?         
1 1 1 6  3  46  o 29.850  1.4440 ?              ?         
1 1 1 6  3  47  o 18.310  1.3600 ?              ?         
1 1 1 6  3  48  o 23.150  1.4370 ?              ?         
1 1 1 6  3  49  o 56.880  2.3270 ?              ?         
1 1 1 6  3  50  o 59.040  2.4060 ?              ?         
1 1 1 6  3  51  o 51.630  2.1410 ?              ?         
1 1 1 6  3  52  o 8.0490  2.5440 ?              ?         
1 1 1 6  3  53  o 14.750  1.9100 ?              ?         
1 1 1 6  3  54  o 10.180  2.3340 ?              ?         
1 1 1 6  3  55  f 22.290  1.5310 ?              ?         
1 1 1 6  3  56  o 39.530  1.7910 ?              ?         
1 1 1 6  3  57  o 27.440  1.5760 ?              ?         
1 1 1 6  3  58  o 21.950  1.7340 ?              ?         
1 1 1 6  3  59  o 13.630  2.4560 ?              ?         
1 1 1 6  3  60  o 8.0140  2.8810 ?              ?         
1 1 1 6  3  61  o 21.110  1.8060 ?              ?         
1 1 1 6  3  62  o 8.7230  3.1160 ?              ?         
1 1 1 6  3  63  f 36.970  1.8130 ?              ?         
1 1 1 6  3  64  o 17.560  2.2090 ?              ?         
1 1 1 6  3  65  o 10.770  3.1220 ?              ?         
1 1 1 6  3  66  o 19.280  2.3710 ?              ?         
1 1 1 6  3  67  o 23.830  2.0740 ?              ?         
1 1 1 6  3  68  o 8.6460  3.2390 ?              ?         
1 1 1 6  3  69  o 14.800  3.0300 ?              ?         
1 1 1 6  3  70  o 14.450  3.0870 ?              ?         
1 1 1 6  3  71  f 17.230  2.7190 ?              ?         
1 1 1 6  3  72  o 12.090  3.5860 ?              ?         
1 1 1 6  3  73  o 19.740  2.7270 ?              ?         
1 1 1 6  3  74  o 8.4690  3.4870 ?              ?         
1 1 1 6  3  75  o 16.440  2.9490 ?              ?         
1 1 1 6  3  76  o 10.0000 3.5530 ?              ?         
1 1 1 6  3  77  o 10.740  3.6380 ?              ?         
1 1 1 6  3  78  o 9.4410  3.5600 ?              ?         
1 1 1 6  3  79  o 6.3660  2.9590 ?              ?         
1 1 1 6  3  80  f 15.140  3.7060 ?              ?         
1 1 1 6  3  81  o 11.910  3.9550 ?              ?         
1 1 1 6  3  82  o 9.8260  3.8590 ?              ?         
1 1 1 6  3  83  o 6.5190  3.1080 ?              ?         
1 1 1 6  3  84  o 10.240  3.9680 ?              ?         
1 1 1 6  3  85  o 8.3760  3.6430 ?              ?         
1 1 1 6  3  86  f 10.160  3.9730 ?              ?         
1 1 1 6  3  87  f 5.4770  2.7170 ?              ?         
1 1 1 6  3  88  f 7.7540  3.4900 ?              ?         
1 1 1 6  3  89  o 6.0890  2.9330 ?              ?         
1 1 1 6  3  90  o 8.7010  3.5480 ?              ?         
1 1 1 6  3  91  o 4.3320  2.1970 ?              ?         
1 1 1 6  3  92  o 6.8000  3.1640 ?              ?         
1 1 1 6  3  93  o 5.0790  2.5440 ?              ?         
1 1 1 6  3  94  o 5.7480  2.8100 ?              ?         
1 1 1 6  3  95  o 4.6600  2.3410 ?              ?         
1 1 1 6  3  96  o 5.6410  2.6680 ?              ?         
1 1 1 6  3  97  o 4.3540  2.1670 ?              ?         
1 1 1 6  3  98  o 4.2670  1.4540 1.047000       2.907000  
1 1 1 6  3  99  o 3.7530  1.8390 ?              ?         
1 1 1 6  4  0   o 93.330  1.8140 -0.000000      0.000000  
1 1 1 6  4  1   o 109.400 1.5030 -1.029000      3.005000  
1 1 1 6  4  2   o 85.270  1.1710 1.066000       2.342000  
1 1 1 6  4  3   o 10.690  0.2246 0.3917000      0.4492000 
1 1 1 6  4  4   o 56.350  0.7770 -0.5930000     1.554000  
1 1 1 6  4  5   o 55.620  0.9378 -0.5226000E-03 1.876000  
1 1 1 6  4  6   o 34.520  0.5205 -1.767000      1.041000  
1 1 1 6  4  7   o 52.830  0.7878 -0.8323000     1.576000  
1 1 1 6  4  8   o 13.340  0.2921 -0.1355000E-01 0.5842000 
1 1 1 6  4  9   f 24.780  0.4086 -1.109000      0.8173000 
1 1 1 6  4  10  o 89.080  1.5860 -1.140000      3.172000  
1 1 1 6  4  11  o 78.300  1.3950 0.2716000      2.791000  
1 1 1 6  4  12  o 29.300  0.8394 ?              ?         
1 1 1 6  4  13  o 111.000 1.9720 -5.152000      3.944000  
1 1 1 6  4  14  o 72.950  1.3080 0.9937000      2.616000  
1 1 1 6  4  15  o 32.820  0.6636 0.5414000      1.327000  
1 1 1 6  4  16  o 25.530  0.5389 -0.4078000     1.078000  
1 1 1 6  4  17  o 61.680  1.4800 -0.6193000     2.959000  
1 1 1 6  4  18  f 65.270  1.5750 1.106000       3.149000  
1 1 1 6  4  19  o 18.680  0.5350 0.9845000      1.070000  
1 1 1 6  4  20  o 44.990  1.2690 3.659000       2.539000  
1 1 1 6  4  21  o 13.990  0.4993 0.5194000      0.9986000 
1 1 1 6  4  22  o 21.410  0.5946 -1.019000      1.189000  
1 1 1 6  4  23  o 22.520  0.6118 -0.2798000E-01 1.224000  
1 1 1 6  4  24  o 22.690  0.6240 0.4878000      1.248000  
1 1 1 6  4  25  o 34.920  0.8755 1.145000       1.751000  
1 1 1 6  4  26  o 23.350  0.6505 1.106000       1.301000  
1 1 1 6  4  27  o 32.080  0.8184 0.3929000      1.637000  
1 1 1 6  4  28  o 37.150  0.9283 -0.8007000     1.857000  
1 1 1 6  4  29  o 29.860  0.7778 -0.6593000E-01 1.556000  
1 1 1 6  4  30  o 36.550  0.9248 0.5346000      1.850000  
1 1 1 6  4  31  o 16.050  0.6271 -0.1450000E-01 1.254000  
1 1 1 6  4  32  o 47.180  1.1650 -0.5718000     2.331000  
1 1 1 6  4  33  o 35.560  0.9057 -0.7838000     1.811000  
1 1 1 6  4  34  o 34.140  0.8845 -0.9555000     1.769000  
1 1 1 6  4  35  o 4.5200  1.2420 1.694000       2.484000  
1 1 1 6  4  36  o 51.720  1.2810 -0.3473000     2.561000  
1 1 1 6  4  37  f 36.700  0.9525 0.1462000      1.905000  
1 1 1 6  4  38  o 23.700  0.7520 -0.3656000E-01 1.504000  
1 1 1 6  4  39  o 26.280  0.7832 0.9488000      1.566000  
1 1 1 6  4  40  o 31.320  0.8704 0.5570000      1.741000  
1 1 1 6  4  41  f 27.300  0.8177 0.4420000      1.635000  
1 1 1 6  4  42  o 49.020  1.2310 -0.9066000E-01 2.463000  
1 1 1 6  4  43  o 34.600  0.9446 1.519000       1.889000  
1 1 1 6  4  44  o 46.890  1.1900 0.6324000      2.381000  
1 1 1 6  4  45  o 47.300  1.2040 1.442000       2.408000  
1 1 1 6  4  46  f 9.7100  1.6560 0.1724000      3.312000  
1 1 1 6  4  47  o 34.220  1.1280 0.4299000      2.256000  
1 1 1 6  4  48  o 46.410  1.3900 -0.3454000     2.779000  
1 1 1 6  4  49  f 27.450  1.0560 0.4496000      2.113000  
1 1 1 6  4  50  o 27.410  1.0820 1.525000       2.164000  
1 1 1 6  4  51  o 27.410  1.1110 -0.4113000     2.221000  
1 1 1 6  4  52  o 15.870  1.3310 -1.329000      2.663000  
1 1 1 6  4  53  o 24.620  1.1510 2.121000       2.302000  
1 1 1 6  4  54  o 21.280  1.2000 0.5241000      2.399000  
1 1 1 6  4  55  o 11.520  1.9040 3.510000       3.808000  
1 1 1 6  4  56  o 8.0600  2.0540 -1.891000      4.109000  
1 1 1 6  4  57  o 13.530  1.8450 -3.295000      3.690000  
1 1 1 6  4  58  o 39.520  1.3070 -1.858000      2.614000  
1 1 1 6  4  59  o 10.440  2.0090 -5.504000      4.019000  
1 1 1 6  4  60  o 30.320  1.2020 -1.068000      2.404000  
1 1 1 6  4  61  o 13.940  1.8720 -0.2464000     3.744000  
1 1 1 6  4  62  o 20.570  1.4600 -3.551000      2.921000  
1 1 1 6  4  63  o 18.770  1.4950 0.4550000      2.990000  
1 1 1 6  4  64  o 8.0800  2.1910 -3.236000      4.382000  
1 1 1 6  4  65  o 11.650  2.3460 -0.6645000     4.692000  
1 1 1 6  4  66  o 10.180  2.3480 0.9613000      4.697000  
1 1 1 6  4  67  o 12.500  2.2710 3.709000       4.543000  
1 1 1 6  4  68  o 11.530  2.5190 1.240000       5.039000  
1 1 1 6  4  69  o 14.420  2.3630 -3.752000      4.727000  
1 1 1 6  4  70  f 10.290  2.4040 4.149000       4.808000  
1 1 1 6  4  71  o 13.740  2.4930 -2.053000      4.985000  
1 1 1 6  4  72  o 7.9380  2.4020 0.3810000      4.803000  
1 1 1 6  4  73  o 12.750  2.7150 -2.111000      5.429000  
1 1 1 6  4  74  o 7.9920  2.4460 -2.166000      4.893000  
1 1 1 6  4  75  o 10.450  2.6210 -5.002000      5.243000  
1 1 1 6  4  76  o 8.2780  2.4730 -1.690000      4.945000  
1 1 1 6  4  77  o 7.5700  2.3640 0.1462000      4.728000  
1 1 1 6  4  78  o 8.5440  2.5120 1.524000       5.025000  
1 1 1 6  4  79  o 8.0600  2.5040 -2.531000      5.008000  
1 1 1 6  4  80  o 9.5570  2.7050 -4.256000      5.410000  
1 1 1 6  4  81  o 9.7930  2.8370 -0.8681000     5.675000  
1 1 1 6  4  82  o 8.0360  2.4660 2.710000       4.932000  
1 1 1 6  4  83  o 7.8510  2.4770 0.3385000      4.954000  
1 1 1 6  4  84  o 7.9970  2.4970 -1.911000      4.995000  
1 1 1 6  4  85  o 6.2660  2.1240 1.051000       4.248000  
1 1 1 6  4  86  o 5.8170  2.0140 0.3378000      4.027000  
1 1 1 6  4  87  o 7.9370  2.4940 -0.3630000     4.988000  
1 1 1 6  4  88  f 9.0580  2.6460 1.715000       5.292000  
1 1 1 6  4  89  o 6.7820  2.1990 2.183000       4.398000  
1 1 1 6  4  90  o 6.0960  2.0750 -1.080000      4.149000  
1 1 1 6  4  91  o 5.3860  1.8810 -0.3150000     3.761000  
1 1 1 6  4  92  o 6.9000  2.2670 -1.116000      4.534000  
1 1 1 6  4  93  o 5.3570  1.8810 -0.7117000     3.761000  
1 1 1 6  4  94  o 5.5010  1.9050 -0.6707000     3.810000  
1 1 1 6  4  95  o 5.1310  1.7820 0.8634000      3.564000  
1 1 1 6  4  96  o 4.4790  1.5880 0.9194000      3.176000  
1 1 1 6  4  97  o 4.2240  1.5030 -1.342000      3.006000  
1 1 1 6  4  98  o 3.7050  1.3030 -0.2981000     2.606000  
1 1 1 6  5  0   o 31.160  0.6177 0.000000       0.000000  
1 1 1 6  5  1   o 55.190  0.7591 -0.2556000     1.518000  
1 1 1 6  5  2   o 41.710  0.5765 -0.4063000     1.153000  
1 1 1 6  5  3   o 32.580  0.4542 -0.1348000     0.9085000 
1 1 1 6  5  4   o 43.330  0.5995 0.1789000      1.199000  
1 1 1 6  5  5   o 26.220  0.4026 -0.6668000     0.8052000 
1 1 1 6  5  6   o 59.050  0.8137 1.915000       1.627000  
1 1 1 6  5  7   o 78.350  1.1630 1.760000       2.326000  
1 1 1 6  5  8   o 63.120  0.9376 0.6437000      1.875000  
1 1 1 6  5  9   o 24.570  0.4677 -2.657000      0.9353000 
1 1 1 6  5  10  f 20.700  0.3351 0.4174000      0.6702000 
1 1 1 6  5  11  o 69.500  1.0370 -0.2049000     2.073000  
1 1 1 6  5  12  o 38.310  0.6884 -3.525000      1.377000  
1 1 1 6  5  13  o 43.190  0.7756 -0.3973000     1.551000  
1 1 1 6  5  14  o 17.250  0.4632 ?              ?         
1 1 1 6  5  15  o 5.2050  0.5399 2.165000       1.080000  
1 1 1 6  5  16  o 70.210  1.2540 -0.2993000     2.508000  
1 1 1 6  5  17  f 32.970  0.6080 -0.1533000     1.216000  
1 1 1 6  5  18  o 19.740  0.6741 ?              ?         
1 1 1 6  5  19  o 33.510  0.6805 -0.6903000     1.361000  
1 1 1 6  5  20  o 55.550  1.0960 0.6952000E-01  2.191000  
1 1 1 6  5  21  o 45.810  0.9110 -0.2264000     1.822000  
1 1 1 6  5  22  o 24.090  0.5388 0.4455000E-01  1.078000  
1 1 1 6  5  23  o 57.340  1.1350 -0.1927000     2.269000  
1 1 1 6  5  24  o 63.040  1.2450 -0.2068000     2.489000  
1 1 1 6  5  25  o 6.2020  0.9777 1.375000       1.955000  
1 1 1 6  5  26  o 27.280  0.7170 0.1423000      1.434000  
1 1 1 6  5  27  o 7.0320  0.9691 -3.215000      1.938000  
1 1 1 6  5  28  f 58.960  1.4420 -0.2164000     2.883000  
1 1 1 6  5  29  o 19.050  0.6201 -0.7216000     1.240000  
1 1 1 6  5  30  o 13.910  0.6592 -1.922000      1.318000  
1 1 1 6  5  31  o 39.350  0.9878 -0.4854000     1.976000  
1 1 1 6  5  32  o 22.690  0.6729 -1.136000      1.346000  
1 1 1 6  5  33  o 18.580  0.6357 -2.011000      1.271000  
1 1 1 6  5  34  o 8.9000  0.9855 -1.157000      1.971000  
1 1 1 6  5  35  o 16.790  0.7226 1.802000       1.445000  
1 1 1 6  5  36  o 10.480  0.9358 -0.7816000E-02 1.872000  
1 1 1 6  5  37  o 35.130  0.9314 1.623000       1.863000  
1 1 1 6  5  38  o 31.120  0.8511 -0.5710000E-01 1.702000  
1 1 1 6  5  39  o 37.100  0.9728 0.4990000      1.946000  
1 1 1 6  5  40  o 25.960  0.7909 1.399000       1.582000  
1 1 1 6  5  41  f 34.370  0.9188 -2.035000      1.838000  
1 1 1 6  5  42  o 7.9680  1.3920 -2.988000      2.783000  
1 1 1 6  5  43  o 71.830  1.7650 -0.7760000     3.530000  
1 1 1 6  5  44  o 12.080  1.2450 -4.161000      2.490000  
1 1 1 6  5  45  o 30.820  0.9044 0.7877000      1.809000  
1 1 1 6  5  46  o 11.090  1.3170 -1.464000      2.635000  
1 1 1 6  5  47  o 13.120  1.1210 1.152000       2.241000  
1 1 1 6  5  48  o 34.580  0.9699 0.6871000E-01  1.940000  
1 1 1 6  5  49  o 45.820  1.1900 0.6972000      2.381000  
1 1 1 6  5  50  o 37.710  1.0270 -0.6240000     2.055000  
1 1 1 6  5  51  o 18.330  0.9958 1.994000       1.992000  
1 1 1 6  5  52  o 19.240  1.2470 -2.563000      2.494000  
1 1 1 6  5  53  o 51.340  1.5450 1.577000       3.090000  
1 1 1 6  5  54  o 41.380  1.3240 -0.8452000     2.648000  
1 1 1 6  5  55  o 37.350  1.2660 -0.2205000     2.532000  
1 1 1 6  5  56  o 29.970  1.1690 -0.9733000     2.338000  
1 1 1 6  5  57  o 21.330  1.3040 -0.5418000     2.609000  
1 1 1 6  5  58  o 15.200  1.5800 0.2448000      3.161000  
1 1 1 6  5  59  o 17.300  1.6480 3.295000       3.296000  
1 1 1 6  5  60  o 14.160  1.8600 1.008000       3.721000  
1 1 1 6  5  61  o 10.980  2.1600 -5.868000      4.320000  
1 1 1 6  5  62  o 14.160  1.9420 -3.573000      3.883000  
1 1 1 6  5  63  o 23.350  1.4810 0.6484000      2.962000  
1 1 1 6  5  64  o 10.010  2.3440 -3.139000      4.688000  
1 1 1 6  5  65  o 13.670  2.2170 5.168000       4.434000  
1 1 1 6  5  66  o 9.0810  2.4600 -1.229000      4.920000  
1 1 1 6  5  67  o 9.2910  2.4260 -2.738000      4.851000  
1 1 1 6  5  68  o 13.510  2.4080 3.089000       4.816000  
1 1 1 6  5  69  o 10.350  2.5980 0.5804000      5.196000  
1 1 1 6  5  70  o 8.9370  2.3570 -5.775000      4.714000  
1 1 1 6  5  71  o 12.000  2.5380 -4.448000      5.075000  
1 1 1 6  5  72  o 17.200  2.3420 -2.651000      4.683000  
1 1 1 6  5  73  o 23.450  1.8860 0.4542000      3.773000  
1 1 1 6  5  74  o 9.8610  2.5570 -5.448000      5.115000  
1 1 1 6  5  75  o 10.690  2.6520 2.651000       5.303000  
1 1 1 6  5  76  o 18.470  2.3630 -0.1334000     4.725000  
1 1 1 6  5  77  o 12.960  2.8750 1.874000       5.751000  
1 1 1 6  5  78  o 7.7440  2.4940 -1.905000      4.989000  
1 1 1 6  5  79  f 10.140  2.7570 1.134000       5.514000  
1 1 1 6  5  80  o 8.7370  2.6680 -2.270000      5.336000  
1 1 1 6  5  81  o 7.9130  2.4210 2.970000       4.841000  
1 1 1 6  5  82  o 6.7210  2.2640 -2.326000      4.528000  
1 1 1 6  5  83  o 8.8720  2.6550 0.2815000      5.310000  
1 1 1 6  5  84  o 7.8380  2.4930 -1.199000      4.985000  
1 1 1 6  5  85  o 7.9410  2.4840 2.963000       4.967000  
1 1 1 6  5  86  o 5.9410  2.0270 1.453000       4.054000  
1 1 1 6  5  87  o 6.1440  2.0920 0.4278000      4.185000  
1 1 1 6  5  88  o 5.7620  1.9850 0.2312000      3.970000  
1 1 1 6  5  89  o 7.1860  2.3080 -1.052000      4.617000  
1 1 1 6  5  90  o 6.2070  2.0850 0.2752000      4.170000  
1 1 1 6  5  91  o 6.1770  2.0890 -0.6746000     4.178000  
1 1 1 6  5  92  o 6.2150  2.1170 0.1572000      4.233000  
1 1 1 6  5  93  o 5.1990  1.8400 -0.2573000     3.680000  
1 1 1 6  5  94  f 5.4580  1.9030 -0.1320000     3.806000  
1 1 1 6  5  95  f 5.6240  1.9340 -1.314000      3.868000  
1 1 1 6  5  96  o 4.8810  1.7150 1.159000       3.430000  
1 1 1 6  5  97  o 3.6460  1.3050 0.5165000      2.609000  
1 1 1 6  5  98  o 4.5260  2.1740 ?              ?         
1 1 1 6  6  0   o 55.660  1.0850 0.000000       0.000000  
1 1 1 6  6  1   o 30.160  0.4234 0.2055000      0.8468000 
1 1 1 6  6  2   o 50.960  0.7024 -0.1985000     1.405000  
1 1 1 6  6  3   f 40.880  0.5663 -1.173000      1.133000  
1 1 1 6  6  4   o 12.310  0.2506 0.6035000      0.5012000 
1 1 1 6  6  5   o 38.950  0.5417 0.3670000      1.083000  
1 1 1 6  6  6   o 34.160  0.5166 0.9418000      1.033000  
1 1 1 6  6  7   o 59.850  0.8245 0.7704000E-01  1.649000  
1 1 1 6  6  8   o 55.260  0.7620 -0.4825000     1.524000  
1 1 1 6  6  9   f 23.060  0.4373 -0.3360000     0.8746000 
1 1 1 6  6  10  o 47.000  0.7027 0.7189000      1.405000  
1 1 1 6  6  11  o 18.520  0.3784 -1.833000      0.7568000 
1 1 1 6  6  12  o 45.900  0.6885 0.2763000      1.377000  
1 1 1 6  6  13  o 27.610  0.4284 0.3584000      0.8567000 
1 1 1 6  6  14  f 29.070  0.4832 -1.209000      0.9664000 
1 1 1 6  6  15  o 48.730  0.8751 -1.837000      1.750000  
1 1 1 6  6  16  o 48.850  0.8774 -0.1960000     1.755000  
1 1 1 6  6  17  o 10.0000 0.6855 ?              ?         
1 1 1 6  6  18  o 39.990  0.7264 -0.7897000     1.453000  
1 1 1 6  6  19  f 37.850  0.6946 1.799000       1.389000  
1 1 1 6  6  20  o 19.060  0.4685 -0.3121000     0.9369000 
1 1 1 6  6  21  o 45.310  0.9020 0.5717000      1.804000  
1 1 1 6  6  22  o 30.260  0.6336 -0.2608000E-01 1.267000  
1 1 1 6  6  23  o 32.150  0.6676 0.8885000E-01  1.335000  
1 1 1 6  6  24  o 26.900  0.5888 0.1509000      1.178000  
1 1 1 6  6  25  o 8.5400  0.6781 2.257000       1.356000  
1 1 1 6  6  26  o 14.970  0.5098 -0.6787000     1.020000  
1 1 1 6  6  27  f 30.030  0.6428 0.4355000      1.286000  
1 1 1 6  6  28  o 24.750  0.5761 -0.1940000     1.152000  
1 1 1 6  6  29  o 23.470  0.5701 -0.2280000     1.140000  
1 1 1 6  6  30  o 35.230  0.7395 -0.2771000     1.479000  
1 1 1 6  6  31  f 26.830  0.6155 0.3482000      1.231000  
1 1 1 6  6  32  o 22.500  0.5791 -1.648000      1.158000  
1 1 1 6  6  33  o 13.640  0.7478 1.720000       1.496000  
1 1 1 6  6  34  o 35.730  0.9279 0.7776000      1.856000  
1 1 1 6  6  35  f 25.700  0.7519 0.3478000      1.504000  
1 1 1 6  6  36  o 40.120  1.0240 0.4652000      2.047000  
1 1 1 6  6  37  o 16.100  0.7840 -1.133000      1.568000  
1 1 1 6  6  38  o 32.340  0.8791 0.7317000      1.758000  
1 1 1 6  6  39  o 56.330  1.4030 1.871000       2.805000  
1 1 1 6  6  40  o 36.110  0.9614 0.2908000      1.923000  
1 1 1 6  6  41  o 25.070  0.7890 -1.066000      1.578000  
1 1 1 6  6  42  o 20.890  0.8051 1.681000       1.610000  
1 1 1 6  6  43  o 44.800  1.1390 -0.7899000     2.277000  
1 1 1 6  6  44  o 11.690  1.1560 2.808000       2.311000  
1 1 1 6  6  45  o 41.010  1.0680 -0.9991000     2.136000  
1 1 1 6  6  46  o 13.760  1.0590 0.1698000      2.117000  
1 1 1 6  6  47  o 22.880  0.8589 -0.1928000     1.718000  
1 1 1 6  6  48  o 42.940  1.1160 -0.8467000     2.233000  
1 1 1 6  6  49  o 39.050  1.0620 1.250000       2.125000  
1 1 1 6  6  50  o 29.300  0.9395 -1.941000      1.879000  
1 1 1 6  6  51  o 37.660  1.0450 -1.234000      2.090000  
1 1 1 6  6  52  o 20.010  0.9911 -1.708000      1.982000  
1 1 1 6  6  53  o 43.420  1.1610 -0.3036000     2.321000  
1 1 1 6  6  54  o 14.230  1.3980 -1.899000      2.797000  
1 1 1 6  6  55  o 42.000  1.1600 1.898000       2.320000  
1 1 1 6  6  56  o 61.110  1.5500 -1.065000      3.100000  
1 1 1 6  6  57  o 17.430  1.2310 0.5887000E-01  2.461000  
1 1 1 6  6  58  o 28.050  1.2330 -1.116000      2.465000  
1 1 1 6  6  59  o 33.070  1.2500 1.624000       2.500000  
1 1 1 6  6  60  o 28.000  1.2780 -0.7942000E-01 2.555000  
1 1 1 6  6  61  f 19.680  1.4350 1.890000       2.870000  
1 1 1 6  6  62  o 24.480  1.3520 0.1986000      2.704000  
1 1 1 6  6  63  o 17.520  1.7680 1.039000       3.536000  
1 1 1 6  6  64  o 21.210  1.6200 0.5162000      3.240000  
1 1 1 6  6  65  o 17.610  1.8460 1.315000       3.691000  
1 1 1 6  6  66  o 20.700  1.7470 1.862000       3.494000  
1 1 1 6  6  67  o 17.140  1.8940 -0.1450000     3.788000  
1 1 1 6  6  68  o 9.7210  2.4070 2.381000       4.814000  
1 1 1 6  6  69  o 17.890  2.0420 -0.5358000     4.084000  
1 1 1 6  6  70  o 7.9070  2.3380 0.6931000E-01  4.677000  
1 1 1 6  6  71  o 16.160  2.2070 0.7637000      4.414000  
1 1 1 6  6  72  o 10.190  2.6550 0.6037000      5.311000  
1 1 1 6  6  73  o 15.580  2.3100 -1.143000      4.619000  
1 1 1 6  6  74  o 8.6740  2.4960 -2.037000      4.992000  
1 1 1 6  6  75  o 12.280  2.7330 4.046000       5.466000  
1 1 1 6  6  76  o 14.280  2.7960 -1.008000      5.592000  
1 1 1 6  6  77  o 10.090  2.7380 -2.342000      5.475000  
1 1 1 6  6  78  o 6.9690  2.3010 -0.3105000     4.602000  
1 1 1 6  6  79  o 10.510  2.9000 -3.066000      5.799000  
1 1 1 6  6  80  o 8.6020  2.6710 -0.8609000     5.343000  
1 1 1 6  6  81  o 8.2200  2.5260 0.4204000      5.052000  
1 1 1 6  6  82  o 8.2570  2.5380 0.2726000      5.075000  
1 1 1 6  6  83  o 6.4270  2.1740 -0.8363000     4.349000  
1 1 1 6  6  84  o 7.6320  2.4650 -1.239000      4.929000  
1 1 1 6  6  85  o 6.9220  2.3180 0.7287000      4.636000  
1 1 1 6  6  86  o 8.7780  2.6270 -3.017000      5.254000  
1 1 1 6  6  87  o 6.3880  2.1570 -1.422000      4.313000  
1 1 1 6  6  88  o 5.7240  1.9650 -0.9951000     3.930000  
1 1 1 6  6  89  o 7.8490  2.3950 -0.8988000E-01 4.791000  
1 1 1 6  6  90  o 5.5910  1.9240 1.487000       3.848000  
1 1 1 6  6  91  o 5.7750  2.0010 -0.5435000     4.002000  
1 1 1 6  6  92  o 5.4630  1.9280 0.8977000      3.857000  
1 1 1 6  6  93  o 6.1910  2.1120 -1.870000      4.224000  
1 1 1 6  6  94  o 5.6870  1.9540 -0.2486000     3.909000  
1 1 1 6  6  95  o 4.7360  1.6780 0.3019000      3.357000  
1 1 1 6  6  96  o 4.4360  1.5730 -0.9344000     3.146000  
1 1 1 6  6  97  o 3.9960  1.3900 0.5202000      2.779000  
1 1 1 6  6  98  f 3.8580  1.9010 ?              ?         
1 1 1 6  7  0   o 9.8840  0.3951 -0.000000      0.000000  
1 1 1 6  7  1   o 27.880  0.3972 0.2394000      0.7944000 
1 1 1 6  7  2   o 72.750  1.0020 0.7546000      2.003000  
1 1 1 6  7  3   o 30.080  0.4638 -2.818000      0.9277000 
1 1 1 6  7  4   o 27.890  0.3968 0.1557000      0.7935000 
1 1 1 6  7  5   o 76.880  1.0600 0.8413000      2.119000  
1 1 1 6  7  6   o 58.330  0.8055 0.5695000      1.611000  
1 1 1 6  7  7   f 39.770  0.5558 -0.4157000     1.112000  
1 1 1 6  7  8   o 35.940  0.5030 -0.5737000     1.006000  
1 1 1 6  7  9   o 58.290  0.8059 0.3384000      1.612000  
1 1 1 6  7  10  o 71.880  0.9916 -0.3908000     1.983000  
1 1 1 6  7  11  o 26.500  0.4971 0.3607000      0.9943000 
1 1 1 6  7  12  o 41.760  0.6290 0.6603000      1.258000  
1 1 1 6  7  13  o 65.700  0.9828 -0.9847000     1.966000  
1 1 1 6  7  14  o 8.8580  0.3744 1.026000       0.7488000 
1 1 1 6  7  15  o 40.980  0.6208 0.3975000      1.242000  
1 1 1 6  7  16  f 58.800  0.9410 0.1995000      1.882000  
1 1 1 6  7  17  o 15.470  0.4132 -0.2909000     0.8264000 
1 1 1 6  7  18  o 9.7470  0.4370 -0.5588000     0.8740000 
1 1 1 6  7  19  o 14.060  0.3943 -0.7798000E-01 0.7886000 
1 1 1 6  7  20  o 25.190  0.4944 -0.2378000     0.9888000 
1 1 1 6  7  21  f 56.300  1.0140 -0.8027000     2.028000  
1 1 1 6  7  22  o 39.830  0.7345 1.849000       1.469000  
1 1 1 6  7  23  o 18.870  0.4302 0.5358000E-01  0.8604000 
1 1 1 6  7  24  o 10.920  0.5698 0.3816000      1.140000  
1 1 1 6  7  25  o 14.010  0.5157 -0.5827000     1.031000  
1 1 1 6  7  26  f 21.160  0.5276 0.5372000      1.055000  
1 1 1 6  7  27  o 27.590  0.6165 0.3472000      1.233000  
1 1 1 6  7  28  o 24.540  0.5794 -0.5388000E-02 1.159000  
1 1 1 6  7  29  o 56.300  1.1280 0.2069000      2.256000  
1 1 1 6  7  30  o 29.270  0.6560 0.7581000      1.312000  
1 1 1 6  7  31  o 32.300  0.6968 -1.504000      1.394000  
1 1 1 6  7  32  f 32.260  0.7009 0.2810000      1.402000  
1 1 1 6  7  33  o 11.410  0.7538 -1.192000      1.508000  
1 1 1 6  7  34  o 46.090  0.9402 1.018000       1.880000  
1 1 1 6  7  35  o 17.350  0.6138 -0.6767000     1.228000  
1 1 1 6  7  36  o 48.070  0.9828 0.4088000      1.966000  
1 1 1 6  7  37  o 26.460  0.6605 0.2594000      1.321000  
1 1 1 6  7  38  o 11.230  0.8675 -0.4083000     1.735000  
1 1 1 6  7  39  o 13.650  0.8854 -0.9744000     1.771000  
1 1 1 6  7  40  o 28.940  0.8274 -0.7005000     1.655000  
1 1 1 6  7  41  o 24.880  0.7995 -0.8048000E-01 1.599000  
1 1 1 6  7  42  o 26.040  1.0270 ?              ?         
1 1 1 6  7  43  o 33.790  0.9326 0.1821000      1.865000  
1 1 1 6  7  44  o 18.140  0.8620 0.8442000      1.724000  
1 1 1 6  7  45  o 9.8700  1.3520 3.907000       2.705000  
1 1 1 6  7  46  o 16.590  0.9294 1.076000       1.859000  
1 1 1 6  7  47  o 35.200  0.9764 1.120000       1.953000  
1 1 1 6  7  48  o 15.090  1.0360 -0.7839000     2.072000  
1 1 1 6  7  49  o 6.1240  1.6500 -0.3399000     3.300000  
1 1 1 6  7  50  o 38.230  1.0540 1.358000       2.107000  
1 1 1 6  7  51  o 38.760  1.0670 0.8143000      2.135000  
1 1 1 6  7  52  o 45.840  1.2060 -0.1318000     2.412000  
1 1 1 6  7  53  o 22.070  1.0160 3.947000       2.032000  
1 1 1 6  7  54  o 39.950  1.1050 -1.897000      2.210000  
1 1 1 6  7  55  o 15.920  1.3000 -0.9408000     2.599000  
1 1 1 6  7  56  o 23.980  1.0220 -0.3110000     2.043000  
1 1 1 6  7  57  o 21.200  1.1120 -1.854000      2.224000  
1 1 1 6  7  58  o 16.910  1.2590 -2.683000      2.518000  
1 1 1 6  7  59  o 18.310  1.3080 0.7669000      2.616000  
1 1 1 6  7  60  o 13.610  1.6730 -1.247000      3.347000  
1 1 1 6  7  61  o 19.710  1.2890 1.309000       2.577000  
1 1 1 6  7  62  o 13.170  1.8030 1.683000       3.606000  
1 1 1 6  7  63  o 18.030  1.7570 -1.410000      3.514000  
1 1 1 6  7  64  o 11.880  2.2760 -6.141000      4.553000  
1 1 1 6  7  65  o 15.550  2.0910 0.8842000      4.181000  
1 1 1 6  7  66  o 10.810  2.4930 -2.162000      4.985000  
1 1 1 6  7  67  o 19.880  1.8280 1.992000       3.657000  
1 1 1 6  7  68  o 19.050  1.8570 1.360000       3.714000  
1 1 1 6  7  69  o 9.6740  2.4950 2.802000       4.990000  
1 1 1 6  7  70  o 7.6020  2.3250 0.2238000      4.649000  
1 1 1 6  7  71  o 8.2740  2.4360 1.853000       4.872000  
1 1 1 6  7  72  o 8.6230  2.4840 1.161000       4.967000  
1 1 1 6  7  73  o 9.0330  2.5120 1.173000       5.024000  
1 1 1 6  7  74  o 15.850  2.4730 -3.909000      4.945000  
1 1 1 6  7  75  o 10.060  2.6810 -1.544000      5.361000  
1 1 1 6  7  76  o 13.670  2.6780 -0.9796000E-01 5.356000  
1 1 1 6  7  77  o 7.1150  2.3110 0.3497000      4.622000  
1 1 1 6  7  78  o 10.130  2.7620 -2.742000      5.524000  
1 1 1 6  7  79  o 6.4220  2.1200 1.937000       4.239000  
1 1 1 6  7  80  o 8.0560  2.4780 1.091000       4.955000  
1 1 1 6  7  81  o 7.7150  2.4590 -0.2803000     4.918000  
1 1 1 6  7  82  o 8.5710  2.5980 -3.211000      5.195000  
1 1 1 6  7  83  o 5.9230  2.0110 1.099000       4.023000  
1 1 1 6  7  84  o 6.8540  2.2860 -1.502000      4.571000  
1 1 1 6  7  85  o 6.0400  2.0830 1.676000       4.167000  
1 1 1 6  7  86  o 5.6860  1.9980 -1.443000      3.996000  
1 1 1 6  7  87  o 6.5900  2.1910 -0.3437000     4.383000  
1 1 1 6  7  88  o 6.0090  2.0430 -1.304000      4.085000  
1 1 1 6  7  89  o 5.7870  1.9850 -0.3019000     3.970000  
1 1 1 6  7  90  o 5.7800  2.0000 -0.4519000     4.001000  
1 1 1 6  7  91  o 6.3020  2.1640 0.6524000      4.329000  
1 1 1 6  7  92  o 5.4140  1.9050 -0.4745000E-01 3.810000  
1 1 1 6  7  93  o 5.0690  1.7870 -0.1912000     3.574000  
1 1 1 6  7  94  o 5.0750  1.7610 -0.1547000     3.523000  
1 1 1 6  7  95  o 4.7850  1.6680 0.9347000E-01  3.336000  
1 1 1 6  7  96  o 5.0280  1.6720 0.3334000      3.344000  
1 1 1 6  7  97  o 3.9170  1.3640 0.4288000      2.729000  
1 1 1 6  8  0   f 28.520  0.5750 -0.000000      0.000000  
1 1 1 6  8  1   o 43.370  0.6038 1.006000       1.208000  
1 1 1 6  8  2   o 70.250  0.9693 0.4041000      1.939000  
1 1 1 6  8  3   o 22.270  0.3567 0.3805000      0.7134000 
1 1 1 6  8  4   o 27.250  0.3920 -0.2718000     0.7840000 
1 1 1 6  8  5   o 63.250  0.8738 1.844000       1.748000  
1 1 1 6  8  6   o 55.210  0.7648 0.2325000      1.530000  
1 1 1 6  8  7   o 18.760  0.3439 0.6507000      0.6878000 
1 1 1 6  8  8   o 43.140  0.6017 0.6440000      1.203000  
1 1 1 6  8  9   o 46.670  0.6481 0.2754000      1.296000  
1 1 1 6  8  10  o 40.930  0.5727 -0.5405000     1.145000  
1 1 1 6  8  11  o 49.360  0.6851 -0.4488000     1.370000  
1 1 1 6  8  12  o 46.420  0.6461 1.018000       1.292000  
1 1 1 6  8  13  o 37.450  0.5708 0.3839000      1.142000  
1 1 1 6  8  14  o 24.890  0.4023 -1.286000      0.8045000 
1 1 1 6  8  15  f 35.170  0.5388 -0.4408000     1.078000  
1 1 1 6  8  16  o 46.870  0.7065 -0.1793000E-01 1.413000  
1 1 1 6  8  17  o 38.750  0.5938 -1.631000      1.188000  
1 1 1 6  8  18  o 39.070  0.6398 -0.5597000     1.280000  
1 1 1 6  8  19  f 19.420  0.3804 0.1393000      0.7608000 
1 1 1 6  8  20  f 47.750  0.7730 -1.466000      1.546000  
1 1 1 6  8  21  o 31.210  0.5932 -0.8350000     1.186000  
1 1 1 6  8  22  o 19.170  0.4391 1.177000       0.8781000 
1 1 1 6  8  23  o 32.640  0.6178 -0.3739000     1.236000  
1 1 1 6  8  24  o 24.220  0.5018 -0.2913000E-01 1.004000  
1 1 1 6  8  25  o 36.880  0.6900 -0.1789000     1.380000  
1 1 1 6  8  26  o 16.740  0.4648 -1.032000      0.9296000 
1 1 1 6  8  27  o 30.440  0.6557 -0.7807000     1.311000  
1 1 1 6  8  28  o 42.410  0.8640 0.1959000      1.728000  
1 1 1 6  8  29  o 52.230  1.0470 0.3550000      2.094000  
1 1 1 6  8  30  o 5.8410  1.1470 3.240000       2.293000  
1 1 1 6  8  31  o 24.370  0.5979 0.8649000      1.196000  
1 1 1 6  8  32  o 18.940  0.5715 0.2153000      1.143000  
1 1 1 6  8  33  o 25.380  0.6248 -1.194000      1.250000  
1 1 1 6  8  34  o 7.8910  1.0830 -0.1159000     2.166000  
1 1 1 6  8  35  o 30.310  0.6928 -1.072000      1.386000  
1 1 1 6  8  36  o 19.150  0.6318 1.386000       1.264000  
1 1 1 6  8  37  o 15.230  0.6903 -1.128000      1.381000  
1 1 1 6  8  38  o 27.670  0.6953 0.9619000E-01  1.391000  
1 1 1 6  8  39  o 48.740  1.0010 0.1588000E-01  2.002000  
1 1 1 6  8  40  o 30.150  0.7275 0.3761000E-01  1.455000  
1 1 1 6  8  41  o 68.540  1.3720 -0.1785000E-02 2.744000  
1 1 1 6  8  42  f 10.660  1.1120 1.318000       2.225000  
1 1 1 6  8  43  o 10.090  1.1560 1.715000       2.312000  
1 1 1 6  8  44  o 41.840  0.8951 -0.6646000     1.790000  
1 1 1 6  8  45  o 13.330  0.9082 0.6046000      1.816000  
1 1 1 6  8  46  o 42.530  1.1060 -1.128000      2.211000  
1 1 1 6  8  47  o 15.200  1.2790 ?              ?         
1 1 1 6  8  48  o 5.9430  1.6040 -1.504000      3.208000  
1 1 1 6  8  49  o 33.200  0.9642 -0.7636000     1.928000  
1 1 1 6  8  50  f 8.4090  1.6780 3.932000       3.356000  
1 1 1 6  8  51  o 48.230  1.2570 1.120000       2.514000  
1 1 1 6  8  52  o 20.060  1.0240 3.037000       2.048000  
1 1 1 6  8  53  o 24.090  0.9730 -0.3306000     1.946000  
1 1 1 6  8  54  f 37.640  1.0870 2.001000       2.174000  
1 1 1 6  8  55  o 26.560  1.0030 -0.6709000     2.007000  
1 1 1 6  8  56  o 26.060  1.0530 3.027000       2.106000  
1 1 1 6  8  57  o 13.190  1.5870 -1.682000      3.175000  
1 1 1 6  8  58  o 29.510  1.0600 0.1796000      2.120000  
1 1 1 6  8  59  o 34.720  1.1050 1.166000       2.210000  
1 1 1 6  8  60  o 18.130  1.3250 1.037000       2.651000  
1 1 1 6  8  61  o 27.120  1.1090 0.2062000      2.219000  
1 1 1 6  8  62  o 15.470  1.5680 6.166000       3.137000  
1 1 1 6  8  63  o 6.6040  1.9460 -1.305000      3.892000  
1 1 1 6  8  64  f 15.250  1.7010 -0.3785000     3.402000  
1 1 1 6  8  65  o 20.560  1.3280 -2.163000      2.657000  
1 1 1 6  8  66  o 25.090  1.2730 0.2547000      2.547000  
1 1 1 6  8  67  o 12.280  2.0360 -4.600000      4.072000  
1 1 1 6  8  68  o 11.560  2.4320 4.196000       4.865000  
1 1 1 6  8  69  o 7.5080  2.3150 -2.107000      4.629000  
1 1 1 6  8  70  o 9.4740  2.5140 2.075000       5.028000  
1 1 1 6  8  71  o 8.6300  2.4840 0.1410000      4.967000  
1 1 1 6  8  72  o 11.610  2.5840 -1.374000      5.167000  
1 1 1 6  8  73  o 7.0740  2.2630 1.337000       4.527000  
1 1 1 6  8  74  o 9.1070  2.5640 -2.798000      5.128000  
1 1 1 6  8  75  o 11.670  2.7550 1.302000       5.509000  
1 1 1 6  8  76  o 13.070  2.8000 -0.1611000     5.600000  
1 1 1 6  8  77  o 7.2270  2.3230 0.3112000      4.646000  
1 1 1 6  8  78  o 7.1630  2.3440 -2.581000      4.688000  
1 1 1 6  8  79  o 7.4930  2.3400 2.874000       4.681000  
1 1 1 6  8  80  o 7.7590  2.4230 -0.1893000     4.846000  
1 1 1 6  8  81  o 9.0760  2.6190 1.378000       5.237000  
1 1 1 6  8  82  o 7.2350  2.3730 -1.635000      4.746000  
1 1 1 6  8  83  o 6.8540  2.2600 -0.1933000     4.521000  
1 1 1 6  8  84  o 7.7110  2.4640 -2.285000      4.928000  
1 1 1 6  8  85  o 6.5690  2.2050 1.441000       4.410000  
1 1 1 6  8  86  o 6.0980  2.0840 0.9502000E-01  4.168000  
1 1 1 6  8  87  o 5.7700  1.9840 -1.033000      3.967000  
1 1 1 6  8  88  o 4.9360  1.7380 0.4125000      3.477000  
1 1 1 6  8  89  o 5.7320  1.9700 0.6903000E-02  3.939000  
1 1 1 6  8  90  o 7.0360  2.3250 -2.957000      4.651000  
1 1 1 6  8  91  o 5.6720  1.9830 -0.4344000     3.967000  
1 1 1 6  8  92  o 5.3700  1.8750 0.4296000      3.751000  
1 1 1 6  8  93  o 5.6970  1.9610 -2.000000      3.922000  
1 1 1 6  8  94  o 4.5570  1.6230 -0.5872000     3.246000  
1 1 1 6  8  95  o 3.5970  1.2950 -0.4336000     2.591000  
1 1 1 6  8  96  o 4.7290  1.6160 0.5850000      3.233000  
1 1 1 6  9  0   o 8.9300  0.4062 0.000000       0.000000  
1 1 1 6  9  1   o 21.720  0.3529 0.4991000      0.7057000 
1 1 1 6  9  2   o 40.090  0.5597 0.6408000      1.119000  
1 1 1 6  9  3   o 53.310  0.7377 -0.9107000E-01 1.475000  
1 1 1 6  9  4   o 47.440  0.6581 1.082000       1.316000  
1 1 1 6  9  5   o 41.990  0.5859 -0.5381000E-01 1.172000  
1 1 1 6  9  6   o 17.900  0.3386 -0.2941000     0.6771000 
1 1 1 6  9  7   o 23.140  0.3456 -0.6905000E-01 0.6913000 
1 1 1 6  9  8   o 17.210  0.3148 0.8641000      0.6295000 
1 1 1 6  9  9   o 31.680  0.4522 0.7293000E-01  0.9045000 
1 1 1 6  9  10  o 23.890  0.3582 0.8773000      0.7164000 
1 1 1 6  9  11  o 25.580  0.3783 -0.8601000     0.7566000 
1 1 1 6  9  12  o 38.290  0.5399 -0.8560000E-01 1.080000  
1 1 1 6  9  13  o 37.570  0.5314 0.1889000      1.063000  
1 1 1 6  9  14  o 32.210  0.4993 1.571000       0.9986000 
1 1 1 6  9  15  o 10.430  0.4007 -1.965000      0.8014000 
1 1 1 6  9  16  o 42.060  0.6400 -0.3799000     1.280000  
1 1 1 6  9  17  o 29.970  0.4722 0.4792000      0.9444000 
1 1 1 6  9  18  o 18.910  0.3505 0.4422000E-01  0.7010000 
1 1 1 6  9  19  o 37.420  0.5759 -1.078000      1.152000  
1 1 1 6  9  20  f 9.6910  0.4900 -0.4009000     0.9800000 
1 1 1 6  9  21  o 28.410  0.4911 -0.8903000     0.9823000 
1 1 1 6  9  22  o 14.950  0.3752 -0.1326000     0.7503000 
1 1 1 6  9  23  o 22.030  0.4190 0.2593000      0.8379000 
1 1 1 6  9  24  o 24.980  0.5152 -0.8466000     1.030000  
1 1 1 6  9  25  o 36.930  0.7540 2.179000       1.508000  
1 1 1 6  9  26  o 35.500  0.6687 -0.5014000     1.337000  
1 1 1 6  9  27  o 35.590  0.6757 -1.308000      1.351000  
1 1 1 6  9  28  o 33.600  0.6431 -0.8448000     1.286000  
1 1 1 6  9  29  o 11.300  0.5538 1.891000       1.108000  
1 1 1 6  9  30  o 19.530  0.5678 -0.5069000     1.136000  
1 1 1 6  9  31  o 8.6960  0.9398 1.510000       1.880000  
1 1 1 6  9  32  f 16.970  0.5950 -0.9488000     1.190000  
1 1 1 6  9  33  o 14.230  0.6723 -0.2846000     1.345000  
1 1 1 6  9  34  o 22.560  0.6180 -0.6456000     1.236000  
1 1 1 6  9  35  o 19.160  0.6189 -1.120000      1.238000  
1 1 1 6  9  36  o 33.880  0.7486 -0.8173000     1.497000  
1 1 1 6  9  37  o 43.350  0.9032 0.3882000      1.806000  
1 1 1 6  9  38  f 33.460  0.7517 0.9290000      1.503000  
1 1 1 6  9  39  o 8.9860  1.1530 1.250000       2.306000  
1 1 1 6  9  40  o 30.920  0.7296 -0.7257000     1.459000  
1 1 1 6  9  41  o 16.470  0.8118 1.084000       1.624000  
1 1 1 6  9  42  f 54.910  1.1180 0.7297000      2.236000  
1 1 1 6  9  43  f 11.030  1.1110 -1.040000      2.222000  
1 1 1 6  9  44  o 36.460  0.8261 -0.2950000     1.652000  
1 1 1 6  9  45  o 23.290  0.7641 0.4287000      1.528000  
1 1 1 6  9  46  o 65.870  1.3300 -1.020000      2.660000  
1 1 1 6  9  47  o 13.450  1.0240 -1.383000      2.049000  
1 1 1 6  9  48  o 34.580  0.8332 -1.972000      1.666000  
1 1 1 6  9  49  o 36.810  0.8600 0.9538000E-01  1.720000  
1 1 1 6  9  50  o 21.790  0.8279 -0.4075000     1.656000  
1 1 1 6  9  51  o 47.860  1.2430 -1.881000      2.487000  
1 1 1 6  9  52  o 28.450  0.9596 1.786000       1.919000  
1 1 1 6  9  53  o 20.070  1.0670 2.815000       2.135000  
1 1 1 6  9  54  f 27.590  0.9985 1.308000       1.997000  
1 1 1 6  9  55  o 17.870  1.2430 -0.2248000     2.487000  
1 1 1 6  9  56  o 12.080  1.6720 -0.1307000     3.343000  
1 1 1 6  9  57  o 16.490  1.3450 -3.156000      2.690000  
1 1 1 6  9  58  o 30.380  1.0640 -1.078000      2.129000  
1 1 1 6  9  59  o 7.9510  2.0230 0.5974000      4.047000  
1 1 1 6  9  60  o 13.470  1.6580 2.312000       3.317000  
1 1 1 6  9  61  o 18.490  1.4040 -4.787000      2.809000  
1 1 1 6  9  62  f 8.7060  2.0630 3.677000       4.125000  
1 1 1 6  9  63  o 20.770  1.2820 1.080000       2.563000  
1 1 1 6  9  64  o 9.4910  2.1570 -1.943000      4.314000  
1 1 1 6  9  65  o 10.920  2.1740 -0.5460000     4.347000  
1 1 1 6  9  66  o 6.9040  2.0350 2.470000       4.069000  
1 1 1 6  9  67  o 14.160  1.9820 -4.572000      3.964000  
1 1 1 6  9  68  o 14.120  2.0220 -3.771000      4.043000  
1 1 1 6  9  69  o 17.250  1.7780 2.449000       3.555000  
1 1 1 6  9  70  o 17.260  1.8530 -4.906000      3.707000  
1 1 1 6  9  71  o 8.9370  2.2900 -2.636000      4.579000  
1 1 1 6  9  72  o 7.6900  2.2580 -0.4048000     4.517000  
1 1 1 6  9  73  o 12.600  2.6610 0.4362000      5.321000  
1 1 1 6  9  74  o 13.410  2.6150 0.7032000      5.231000  
1 1 1 6  9  75  o 9.1690  2.6110 -1.063000      5.222000  
1 1 1 6  9  76  o 6.4430  2.1740 -0.2974000     4.347000  
1 1 1 6  9  77  o 7.6930  2.4470 -3.604000      4.894000  
1 1 1 6  9  78  o 7.3480  2.3690 -0.4950000     4.738000  
1 1 1 6  9  79  o 7.5190  2.3670 1.234000       4.735000  
1 1 1 6  9  80  o 7.9920  2.4250 0.6597000      4.851000  
1 1 1 6  9  81  o 6.7700  2.2030 0.7882000      4.406000  
1 1 1 6  9  82  o 6.6530  2.1890 1.450000       4.378000  
1 1 1 6  9  83  o 8.7270  2.4560 4.639000       4.912000  
1 1 1 6  9  84  o 6.7860  2.2520 0.3138000      4.503000  
1 1 1 6  9  85  o 5.9160  2.0310 0.6140000      4.061000  
1 1 1 6  9  86  o 6.4360  2.1080 3.354000       4.216000  
1 1 1 6  9  87  o 5.9790  2.0350 -1.909000      4.070000  
1 1 1 6  9  88  o 6.9150  2.2450 -0.2423000     4.490000  
1 1 1 6  9  89  f 5.7630  2.0080 -1.082000      4.015000  
1 1 1 6  9  90  o 5.5990  1.9620 -0.3300000     3.924000  
1 1 1 6  9  91  o 5.3730  1.8660 0.2648000      3.732000  
1 1 1 6  9  92  o 4.8830  1.7130 0.1911000      3.427000  
1 1 1 6  9  93  o 4.2360  1.5160 0.5352000      3.033000  
1 1 1 6  9  94  o 3.6790  1.3250 -0.1527000     2.649000  
1 1 1 6  9  95  o 4.0100  1.4200 0.9975000      2.841000  
1 1 1 6  10 0   f 13.130  0.3876 -0.000000      0.000000  
1 1 1 6  10 1   o 28.000  0.4036 0.2907000      0.8072000 
1 1 1 6  10 2   o 19.000  0.3039 -0.5144000     0.6078000 
1 1 1 6  10 3   o 21.150  0.3258 -0.6530000     0.6515000 
1 1 1 6  10 4   o 7.9220  0.3312 0.2521000      0.6623000 
1 1 1 6  10 5   o 25.050  0.3699 0.6364000      0.7397000 
1 1 1 6  10 6   f 57.540  0.7975 1.475000       1.595000  
1 1 1 6  10 7   o 49.930  0.6955 -1.014000      1.391000  
1 1 1 6  10 8   o 22.650  0.4001 -0.1126000     0.8002000 
1 1 1 6  10 9   o 34.790  0.4931 0.8727000      0.9862000 
1 1 1 6  10 10  o 14.830  0.3748 -1.839000      0.7495000 
1 1 1 6  10 11  o 48.990  0.6836 0.1810000      1.367000  
1 1 1 6  10 12  f 30.990  0.4839 -0.9715000E-01 0.9678000 
1 1 1 6  10 13  o 38.240  0.5399 1.048000       1.080000  
1 1 1 6  10 14  o 15.050  0.3471 -0.4499000     0.6941000 
1 1 1 6  10 15  o 18.500  0.3186 0.5350000      0.6371000 
1 1 1 6  10 16  o 47.440  0.6643 -0.6480000     1.329000  
1 1 1 6  10 17  o 22.160  0.4574 0.3648000      0.9148000 
1 1 1 6  10 18  o 37.470  0.5789 -0.7629000E-03 1.158000  
1 1 1 6  10 19  f 38.900  0.5971 -0.3220000E-02 1.194000  
1 1 1 6  10 20  o 40.380  0.6182 1.238000       1.236000  
1 1 1 6  10 21  o 37.080  0.6154 -1.814000      1.231000  
1 1 1 6  10 22  o 30.620  0.5229 0.4309000E-01  1.046000  
1 1 1 6  10 23  o 7.7830  0.6448 -1.563000      1.290000  
1 1 1 6  10 24  o 17.470  0.4652 -2.370000      0.9305000 
1 1 1 6  10 25  o 48.200  0.7871 -0.4153000     1.574000  
1 1 1 6  10 26  o 21.920  0.5038 -1.029000      1.008000  
1 1 1 6  10 27  o 28.630  0.5818 -0.2831000     1.164000  
1 1 1 6  10 28  o 25.720  0.5459 0.4815000      1.092000  
1 1 1 6  10 29  o 64.570  1.1680 -1.953000      2.337000  
1 1 1 6  10 30  o 23.840  0.7770 ?              ?         
1 1 1 6  10 31  o 24.400  0.5473 -1.254000      1.095000  
1 1 1 6  10 32  o 5.5290  1.0950 1.521000       2.189000  
1 1 1 6  10 33  o 32.420  0.6453 0.2586000      1.291000  
1 1 1 6  10 34  o 48.570  0.9895 0.3927000      1.979000  
1 1 1 6  10 35  o 46.940  0.9635 0.6415000      1.927000  
1 1 1 6  10 36  o 42.880  0.8950 -1.060000      1.790000  
1 1 1 6  10 37  o 15.040  0.7606 0.6039000      1.521000  
1 1 1 6  10 38  o 44.230  0.9250 -0.5285000     1.850000  
1 1 1 6  10 39  o 9.5090  1.1400 0.9495000      2.279000  
1 1 1 6  10 40  o 35.240  0.7903 -0.6413000     1.581000  
1 1 1 6  10 41  o 50.180  1.0330 -0.1097000     2.066000  
1 1 1 6  10 42  o 27.950  0.7203 0.1243000      1.441000  
1 1 1 6  10 43  o 6.5650  1.4760 1.480000       2.952000  
1 1 1 6  10 44  o 15.790  0.8366 -1.002000      1.673000  
1 1 1 6  10 45  o 10.690  1.1510 -1.347000      2.303000  
1 1 1 6  10 46  f 14.120  0.9947 -0.5668000     1.989000  
1 1 1 6  10 47  o 6.3380  1.5800 1.104000       3.160000  
1 1 1 6  10 48  o 10.180  1.3670 -1.260000      2.733000  
1 1 1 6  10 49  o 32.530  0.8187 -1.420000      1.637000  
1 1 1 6  10 50  o 9.1310  1.5880 1.363000       3.175000  
1 1 1 6  10 51  o 7.4180  1.6650 -1.160000      3.331000  
1 1 1 6  10 52  o 22.500  0.8699 -0.9518000     1.740000  
1 1 1 6  10 53  o 21.370  0.9046 1.324000       1.809000  
1 1 1 6  10 54  o 13.260  1.3060 0.7870000E-01  2.611000  
1 1 1 6  10 55  o 25.660  0.8620 0.5260000      1.724000  
1 1 1 6  10 56  o 32.180  0.8999 -0.7195000     1.800000  
1 1 1 6  10 57  o 34.600  1.0690 -1.410000      2.137000  
1 1 1 6  10 58  o 31.000  1.0900 -0.8559000     2.180000  
1 1 1 6  10 59  o 12.140  1.8310 -1.663000      3.663000  
1 1 1 6  10 60  o 17.490  1.3660 0.5817000      2.732000  
1 1 1 6  10 61  o 16.450  1.4800 -0.3444000     2.961000  
1 1 1 6  10 62  o 8.2490  2.1020 -1.149000      4.204000  
1 1 1 6  10 63  o 18.920  1.4330 0.2693000      2.865000  
1 1 1 6  10 64  f 15.550  1.7120 -3.001000      3.423000  
1 1 1 6  10 65  o 7.8200  2.1530 0.2692000      4.306000  
1 1 1 6  10 66  o 15.170  1.8030 -0.9540000     3.606000  
1 1 1 6  10 67  o 7.3250  2.1050 2.870000       4.209000  
1 1 1 6  10 68  o 8.0570  2.2410 0.8995000      4.481000  
1 1 1 6  10 69  o 11.590  2.2670 -0.5198000     4.535000  
1 1 1 6  10 70  o 11.850  2.3100 0.8491000      4.621000  
1 1 1 6  10 71  f 9.7090  2.3640 -0.1369000     4.729000  
1 1 1 6  10 72  o 13.110  2.2480 -3.083000      4.496000  
1 1 1 6  10 73  o 8.7860  2.2420 4.973000       4.483000  
1 1 1 6  10 74  o 6.0370  1.9860 -1.079000      3.972000  
1 1 1 6  10 75  o 8.7070  2.4030 1.306000       4.805000  
1 1 1 6  10 76  o 7.6500  2.3050 2.401000       4.610000  
1 1 1 6  10 77  o 8.9970  2.4040 -2.399000      4.807000  
1 1 1 6  10 78  o 7.2330  2.3390 -4.146000      4.678000  
1 1 1 6  10 79  o 6.5640  2.1780 -0.2603000E-01 4.355000  
1 1 1 6  10 80  o 7.1250  2.3070 -0.2668000     4.614000  
1 1 1 6  10 81  o 6.4010  2.1380 0.2903000      4.277000  
1 1 1 6  10 82  o 6.3540  2.1550 0.1129000      4.310000  
1 1 1 6  10 83  f 7.2260  2.3630 -1.095000      4.727000  
1 1 1 6  10 84  o 7.2640  2.3540 -0.2500000     4.709000  
1 1 1 6  10 85  o 5.2960  1.8560 -0.3122000     3.712000  
1 1 1 6  10 86  o 5.9850  2.0340 -1.303000      4.069000  
1 1 1 6  10 87  o 6.9500  2.2720 -0.8843000     4.543000  
1 1 1 6  10 88  o 7.1950  2.3280 2.271000       4.656000  
1 1 1 6  10 89  o 5.0980  1.8100 0.1097000      3.620000  
1 1 1 6  10 90  o 7.3960  2.4010 -3.041000      4.801000  
1 1 1 6  10 91  f 4.2460  1.5240 0.3603000      3.049000  
1 1 1 6  10 92  o 4.9340  1.7420 0.7932000E-01  3.485000  
1 1 1 6  10 93  o 4.0480  1.4500 0.4104000      2.901000  
1 1 1 6  10 94  o 4.5780  1.5780 -1.185000      3.156000  
1 1 1 6  11 0   o 16.390  0.4087 0.000000       0.000000  
1 1 1 6  11 1   o 23.600  0.3833 -0.9653000E-02 0.7666000 
1 1 1 6  11 2   o 54.270  0.7525 0.5926000      1.505000  
1 1 1 6  11 3   o 27.340  0.4312 0.2418000      0.8625000 
1 1 1 6  11 4   o 15.380  0.3312 0.8931000      0.6624000 
1 1 1 6  11 5   o 47.740  0.6656 -0.8799000E-01 1.331000  
1 1 1 6  11 6   o 29.100  0.4556 -1.672000      0.9112000 
1 1 1 6  11 7   o 10.940  0.3526 -0.2069000     0.7052000 
1 1 1 6  11 8   o 14.020  0.2861 -0.2103000     0.5723000 
1 1 1 6  11 9   o 9.8250  0.3141 -0.1730000E-01 0.6282000 
1 1 1 6  11 10  o 18.250  0.3100 0.5331000      0.6200000 
1 1 1 6  11 11  o 13.670  0.2928 0.6249000      0.5855000 
1 1 1 6  11 12  o 4.8830  0.5992 1.068000       1.198000  
1 1 1 6  11 13  o 23.790  0.3669 0.7544000      0.7337000 
1 1 1 6  11 14  o 27.320  0.4062 -0.4662000     0.8124000 
1 1 1 6  11 15  o 25.280  0.3873 -0.8197000     0.7747000 
1 1 1 6  11 16  o 33.270  0.4798 0.2090000      0.9597000 
1 1 1 6  11 17  o 15.870  0.4037 -1.129000      0.8074000 
1 1 1 6  11 18  o 32.400  0.5101 0.9117000      1.020000  
1 1 1 6  11 19  o 13.010  0.4190 2.225000       0.8379000 
1 1 1 6  11 20  o 15.610  0.3513 -0.4957000     0.7027000 
1 1 1 6  11 21  o 30.380  0.4885 0.4123000      0.9770000 
1 1 1 6  11 22  o 17.850  0.3742 -0.1350000     0.7484000 
1 1 1 6  11 23  o 30.500  0.5317 0.2612000      1.063000  
1 1 1 6  11 24  o 15.780  0.5633 -3.948000      1.127000  
1 1 1 6  11 25  o 19.150  0.4234 -0.3317000     0.8467000 
1 1 1 6  11 26  o 49.780  0.8125 0.4497000E-01  1.625000  
1 1 1 6  11 27  o 33.270  0.5745 -0.3988000     1.149000  
1 1 1 6  11 28  f 22.460  0.5300 -1.257000      1.060000  
1 1 1 6  11 29  f 81.280  1.3110 0.9805000E-01  2.622000  
1 1 1 6  11 30  o 42.870  0.8000 -1.246000      1.600000  
1 1 1 6  11 31  o 13.400  1.0100 ?              ?         
1 1 1 6  11 32  o 44.400  0.8267 -1.332000      1.653000  
1 1 1 6  11 33  o 26.270  0.5856 0.1905000      1.171000  
1 1 1 6  11 34  o 30.500  0.6285 2.243000       1.257000  
1 1 1 6  11 35  o 28.010  0.6839 -0.4894000     1.368000  
1 1 1 6  11 36  o 6.1080  1.1170 -2.552000      2.235000  
1 1 1 6  11 37  o 37.290  0.8098 0.3093000      1.620000  
1 1 1 6  11 38  o 27.290  0.7100 -0.6971000     1.420000  
1 1 1 6  11 39  o 47.800  0.9875 1.196000       1.975000  
1 1 1 6  11 40  o 31.110  0.7502 0.3777000      1.500000  
1 1 1 6  11 41  o 7.6180  1.3730 1.334000       2.746000  
1 1 1 6  11 42  o 24.340  0.7140 0.2652000      1.428000  
1 1 1 6  11 43  o 16.460  0.8415 0.3048000      1.683000  
1 1 1 6  11 44  o 29.780  0.7575 -1.185000      1.515000  
1 1 1 6  11 45  o 16.240  0.8714 -0.6047000     1.743000  
1 1 1 6  11 46  o 5.3550  1.5340 -0.3962000     3.068000  
1 1 1 6  11 47  o 13.300  1.0750 -2.880000      2.151000  
1 1 1 6  11 48  o 39.780  0.8982 -0.5336000     1.796000  
1 1 1 6  11 49  o 23.220  0.8058 1.489000       1.612000  
1 1 1 6  11 50  o 36.990  0.8694 0.1107000      1.739000  
1 1 1 6  11 51  o 11.900  1.3650 0.7464000      2.729000  
1 1 1 6  11 52  o 29.670  0.8334 -1.221000      1.667000  
1 1 1 6  11 53  o 11.090  1.5450 -2.538000      3.091000  
1 1 1 6  11 54  o 20.160  0.9905 -0.7786000     1.981000  
1 1 1 6  11 55  o 36.410  0.9117 0.9248000E-01  1.823000  
1 1 1 6  11 56  o 11.000  1.6540 -1.131000      3.308000  
1 1 1 6  11 57  o 8.2820  1.8880 -0.4522000     3.777000  
1 1 1 6  11 58  o 11.210  1.7550 -3.439000      3.510000  
1 1 1 6  11 59  o 29.380  0.9186 -1.987000      1.837000  
1 1 1 6  11 60  o 14.980  1.4180 2.600000       2.836000  
1 1 1 6  11 61  o 13.280  1.5940 -1.875000      3.188000  
1 1 1 6  11 62  o 14.640  1.7650 -0.5878000     3.530000  
1 1 1 6  11 63  o 9.1530  2.1150 -0.6734000     4.230000  
1 1 1 6  11 64  o 10.470  2.0000 -4.812000      3.999000  
1 1 1 6  11 65  f 12.110  2.8530 ?              ?         
1 1 1 6  11 66  o 7.7120  2.0550 3.063000       4.110000  
1 1 1 6  11 67  o 6.8000  2.0260 -1.734000      4.052000  
1 1 1 6  11 68  o 6.5660  2.0270 0.4168000      4.055000  
1 1 1 6  11 69  o 7.1760  2.1330 0.8844000      4.267000  
1 1 1 6  11 70  o 10.670  2.3210 0.9237000      4.642000  
1 1 1 6  11 71  o 6.0050  1.9430 -0.2556000     3.886000  
1 1 1 6  11 72  o 7.5260  2.1680 -1.712000      4.337000  
1 1 1 6  11 73  o 7.4420  2.2150 0.6606000      4.430000  
1 1 1 6  11 74  o 5.6410  1.8920 -1.546000      3.783000  
1 1 1 6  11 75  o 7.1570  2.2080 0.6062000      4.417000  
1 1 1 6  11 76  o 7.1790  2.1570 -2.272000      4.315000  
1 1 1 6  11 77  o 6.8590  2.1360 0.4532000      4.272000  
1 1 1 6  11 78  o 7.4370  2.2560 -0.1527000     4.513000  
1 1 1 6  11 79  o 6.0000  1.9910 0.8061000      3.983000  
1 1 1 6  11 80  o 6.0890  2.0120 -0.2378000     4.023000  
1 1 1 6  11 81  o 6.3420  2.0840 -0.3540000     4.168000  
1 1 1 6  11 82  o 7.6210  2.4340 -2.186000      4.868000  
1 1 1 6  11 83  o 5.1870  1.8140 0.1721000      3.629000  
1 1 1 6  11 84  o 6.2390  2.0710 1.499000       4.142000  
1 1 1 6  11 85  o 6.2010  2.0740 0.3334000      4.147000  
1 1 1 6  11 86  o 6.6940  2.2080 0.7205000      4.416000  
1 1 1 6  11 87  o 5.2620  1.8590 -0.3730000E-01 3.719000  
1 1 1 6  11 88  o 6.0580  2.0870 -0.1873000     4.173000  
1 1 1 6  11 89  o 5.8730  2.0270 0.4384000E-01  4.054000  
1 1 1 6  11 90  o 5.7790  1.9900 0.5086000      3.980000  
1 1 1 6  11 91  o 4.0360  1.4600 -0.3399000     2.921000  
1 1 1 6  11 92  o 3.7880  1.3620 0.1996000      2.723000  
1 1 1 6  11 93  o 4.0290  1.4230 -0.8499000     2.846000  
1 1 1 6  12 0   o 9.4760  0.5350 0.000000       0.000000  
1 1 1 6  12 1   o 23.220  0.3542 0.3071000      0.7084000 
1 1 1 6  12 2   o 10.620  0.4476 2.168000       0.8951000 
1 1 1 6  12 3   o 52.550  0.7298 -0.7737000E-01 1.460000  
1 1 1 6  12 4   o 41.360  0.5802 0.7223000      1.160000  
1 1 1 6  12 5   o 18.530  0.3626 -0.3440000     0.7252000 
1 1 1 6  12 6   o 15.610  0.3817 0.3675000      0.7635000 
1 1 1 6  12 7   o 52.680  0.7340 -0.8037000     1.468000  
1 1 1 6  12 8   o 33.830  0.5618 0.9056000      1.124000  
1 1 1 6  12 9   o 39.050  0.5520 1.140000       1.104000  
1 1 1 6  12 10  o 38.340  0.5434 -0.1872000     1.087000  
1 1 1 6  12 11  o 37.510  0.5332 0.2356000      1.066000  
1 1 1 6  12 12  o 26.640  0.4028 -0.2305000     0.8055000 
1 1 1 6  12 13  o 32.870  0.4751 0.9703000      0.9501000 
1 1 1 6  12 14  o 19.230  0.4403 -3.321000      0.8805000 
1 1 1 6  12 15  o 70.410  0.9815 1.988000       1.963000  
1 1 1 6  12 16  o 30.760  0.5272 -1.320000      1.054000  
1 1 1 6  12 17  o 21.450  0.3617 0.9815000      0.7234000 
1 1 1 6  12 18  o 21.160  0.3562 1.008000       0.7124000 
1 1 1 6  12 19  o 41.260  0.5865 0.3996000      1.173000  
1 1 1 6  12 20  o 25.140  0.4591 -1.125000      0.9182000 
1 1 1 6  12 21  o 50.770  0.7696 1.067000       1.539000  
1 1 1 6  12 22  o 18.420  0.4569 0.5672000      0.9137000 
1 1 1 6  12 23  o 8.1650  0.5310 -0.6374000     1.062000  
1 1 1 6  12 24  o 22.230  0.4110 -2.508000      0.8219000 
1 1 1 6  12 25  o 38.220  0.6408 -0.2662000     1.282000  
1 1 1 6  12 26  o 14.870  0.5656 -1.429000      1.131000  
1 1 1 6  12 27  o 23.230  0.4661 0.3732000      0.9322000 
1 1 1 6  12 28  o 30.580  0.5482 0.1612000      1.096000  
1 1 1 6  12 29  o 17.770  0.4548 -0.5282000     0.9097000 
1 1 1 6  12 30  o 18.410  0.4705 -0.5180000     0.9411000 
1 1 1 6  12 31  o 27.610  0.5202 -0.2762000     1.040000  
1 1 1 6  12 32  o 21.990  0.4851 0.1530000      0.9702000 
1 1 1 6  12 33  o 23.350  0.4897 0.6139000      0.9794000 
1 1 1 6  12 34  o 27.950  0.6025 -0.3166000     1.205000  
1 1 1 6  12 35  o 47.590  0.8875 0.1615000      1.775000  
1 1 1 6  12 36  o 36.150  0.7227 -0.4724000     1.445000  
1 1 1 6  12 37  f 18.970  0.6144 -0.8300000     1.229000  
1 1 1 6  12 38  o 33.020  0.6826 -0.8493000E-01 1.365000  
1 1 1 6  12 39  o 14.570  0.6668 2.447000       1.334000  
1 1 1 6  12 40  o 25.680  0.6650 -0.2434000     1.330000  
1 1 1 6  12 41  o 36.300  0.8206 -0.6001000E-01 1.641000  
1 1 1 6  12 42  f 35.250  0.8114 -0.5886000     1.623000  
1 1 1 6  12 43  o 32.890  0.7946 0.5676000      1.589000  
1 1 1 6  12 44  o 22.710  0.7691 0.8511000      1.538000  
1 1 1 6  12 45  o 10.930  1.3030 3.355000       2.606000  
1 1 1 6  12 46  o 27.760  0.7848 -0.9274000     1.570000  
1 1 1 6  12 47  o 6.6920  1.6320 -1.850000      3.263000  
1 1 1 6  12 48  o 25.280  0.8154 -1.641000      1.631000  
1 1 1 6  12 49  o 12.400  1.2710 -2.698000      2.543000  
1 1 1 6  12 50  f 26.650  0.8404 1.571000       1.681000  
1 1 1 6  12 51  o 15.090  1.1280 -2.046000      2.256000  
1 1 1 6  12 52  o 28.680  0.8440 0.2093000      1.688000  
1 1 1 6  12 53  f 10.010  1.7100 -1.064000      3.419000  
1 1 1 6  12 54  o 30.170  0.8879 1.647000       1.776000  
1 1 1 6  12 55  o 27.590  0.8967 0.9554000      1.793000  
1 1 1 6  12 56  o 6.8720  1.8780 0.9771000      3.756000  
1 1 1 6  12 57  o 31.790  0.9213 0.7426000E-01  1.843000  
1 1 1 6  12 58  o 21.540  1.0360 1.567000       2.072000  
1 1 1 6  12 59  o 22.140  1.0530 -0.7395000E-01 2.106000  
1 1 1 6  12 60  o 15.850  1.2920 0.9769000E-01  2.583000  
1 1 1 6  12 61  o 6.7380  1.9070 -2.432000      3.814000  
1 1 1 6  12 62  o 12.590  1.7070 -2.008000      3.414000  
1 1 1 6  12 63  o 36.300  1.0150 0.4686000      2.029000  
1 1 1 6  12 64  o 9.3760  2.1180 0.4477000      4.236000  
1 1 1 6  12 65  o 14.530  1.6410 -3.357000      3.281000  
1 1 1 6  12 66  o 6.6930  1.9820 -0.9036000     3.963000  
1 1 1 6  12 67  o 7.1320  2.0570 -0.6767000     4.114000  
1 1 1 6  12 68  o 11.250  1.9700 -7.582000      3.940000  
1 1 1 6  12 69  f 8.6110  2.1430 -3.744000      4.286000  
1 1 1 6  12 70  o 8.2720  1.9670 -5.495000      3.934000  
1 1 1 6  12 71  o 7.8390  2.2170 0.1380000      4.434000  
1 1 1 6  12 72  o 7.7520  3.1450 ?              ?         
1 1 1 6  12 73  o 7.5860  2.1400 -2.561000      4.280000  
1 1 1 6  12 74  o 6.4930  2.0510 -0.6923000     4.102000  
1 1 1 6  12 75  o 12.870  2.2750 -1.910000      4.549000  
1 1 1 6  12 76  o 7.7910  2.2510 -0.1335000     4.502000  
1 1 1 6  12 77  o 7.2080  2.1820 -0.2731000     4.365000  
1 1 1 6  12 78  f 7.5780  2.2370 -2.096000      4.474000  
1 1 1 6  12 79  o 6.6950  2.1340 -1.059000      4.267000  
1 1 1 6  12 80  o 6.3230  2.0600 0.3790000      4.119000  
1 1 1 6  12 81  o 6.2430  2.0040 -1.695000      4.008000  
1 1 1 6  12 82  o 5.5500  1.8650 2.118000       3.730000  
1 1 1 6  12 83  o 6.6310  2.0970 -0.3592000     4.195000  
1 1 1 6  12 84  o 4.9480  1.7040 0.8169000E-02  3.408000  
1 1 1 6  12 85  f 6.4830  2.0290 -2.817000      4.058000  
1 1 1 6  12 86  o 5.2630  1.8530 -1.264000      3.705000  
1 1 1 6  12 87  o 6.1220  2.0870 -0.5902000     4.174000  
1 1 1 6  12 88  o 5.8220  2.0090 0.5411000      4.018000  
1 1 1 6  12 89  o 4.7850  1.6990 0.9852000      3.398000  
1 1 1 6  12 90  o 5.0020  1.7580 -0.9345000     3.515000  
1 1 1 6  12 91  o 3.9600  1.4180 0.3070000      2.837000  
1 1 1 6  12 92  o 4.3260  1.5240 -0.8908000     3.049000  
1 1 1 6  13 0   o 9.8640  0.5486 -0.000000      0.000000  
1 1 1 6  13 1   o 15.020  0.3494 0.3519000      0.6988000 
1 1 1 6  13 2   o 27.450  0.4381 -0.9598000     0.8763000 
1 1 1 6  13 3   o 41.630  0.5870 0.8268000E-01  1.174000  
1 1 1 6  13 4   o 46.720  0.6531 0.2850000      1.306000  
1 1 1 6  13 5   o 42.050  0.6882 -1.503000      1.376000  
1 1 1 6  13 6   o 70.950  0.9849 1.306000       1.970000  
1 1 1 6  13 7   o 11.960  0.5699 ?              ?         
1 1 1 6  13 8   o 18.400  0.3240 0.2917000      0.6480000 
1 1 1 6  13 9   o 21.010  0.3465 -0.4077000     0.6930000 
1 1 1 6  13 10  o 40.270  0.5700 1.173000       1.140000  
1 1 1 6  13 11  o 49.540  0.6930 1.282000       1.386000  
1 1 1 6  13 12  o 43.510  0.7116 -0.8664000     1.423000  
1 1 1 6  13 13  o 31.280  0.4610 0.3904000      0.9220000 
1 1 1 6  13 14  o 22.720  0.4328 0.1597000      0.8655000 
1 1 1 6  13 15  o 59.970  0.8364 0.3902000      1.673000  
1 1 1 6  13 16  o 10.810  0.5711 -5.186000      1.142000  
1 1 1 6  13 17  o 37.090  0.5351 -0.1615000     1.070000  
1 1 1 6  13 18  o 21.760  0.4329 0.1995000      0.8658000 
1 1 1 6  13 19  o 20.190  0.3660 0.4904000      0.7320000 
1 1 1 6  13 20  o 37.760  0.5442 -0.2698000     1.088000  
1 1 1 6  13 21  o 46.800  0.6653 -1.259000      1.331000  
1 1 1 6  13 22  o 34.090  0.5449 -0.7971000     1.090000  
1 1 1 6  13 23  o 14.780  0.4782 0.1299000      0.9565000 
1 1 1 6  13 24  o 16.040  0.4068 -0.2002000     0.8135000 
1 1 1 6  13 25  o 21.690  0.4206 -0.8479000     0.8412000 
1 1 1 6  13 26  o 53.130  0.8653 -1.142000      1.731000  
1 1 1 6  13 27  o 16.010  0.5661 0.3668000      1.132000  
1 1 1 6  13 28  o 9.1330  0.6312 -0.1544000     1.262000  
1 1 1 6  13 29  o 42.280  0.7076 -0.4960000E-01 1.415000  
1 1 1 6  13 30  o 48.440  0.7977 -0.3055000     1.595000  
1 1 1 6  13 31  o 14.020  0.6426 0.7086000E-01  1.285000  
1 1 1 6  13 32  o 44.470  0.7422 -1.825000      1.484000  
1 1 1 6  13 33  o 12.280  0.6807 0.7410000      1.361000  
1 1 1 6  13 34  o 47.330  0.7875 -0.6978000     1.575000  
1 1 1 6  13 35  o 17.140  0.5993 -1.880000      1.199000  
1 1 1 6  13 36  f 17.720  0.5032 -0.6144000     1.006000  
1 1 1 6  13 37  o 18.860  0.5037 0.4815000      1.007000  
1 1 1 6  13 38  o 19.380  0.6056 0.6934000      1.211000  
1 1 1 6  13 39  o 25.890  0.6264 -2.089000      1.253000  
1 1 1 6  13 40  o 20.800  0.6250 0.5333000      1.250000  
1 1 1 6  13 41  o 22.980  0.6417 -1.150000      1.283000  
1 1 1 6  13 42  o 27.760  0.7702 0.6377000      1.540000  
1 1 1 6  13 43  o 25.280  0.6704 0.6158000      1.341000  
1 1 1 6  13 44  o 6.5500  1.3700 1.687000       2.741000  
1 1 1 6  13 45  o 21.130  0.9320 -2.454000      1.864000  
1 1 1 6  13 46  o 28.970  0.7895 0.3067000      1.579000  
1 1 1 6  13 47  o 15.740  1.0110 1.810000       2.021000  
1 1 1 6  13 48  o 47.920  1.0360 0.4981000      2.073000  
1 1 1 6  13 49  o 19.790  0.8988 0.4203000      1.798000  
1 1 1 6  13 50  o 9.7160  1.5460 4.363000       3.091000  
1 1 1 6  13 51  o 5.9400  1.6890 -0.9028000     3.378000  
1 1 1 6  13 52  o 13.820  1.3120 1.017000       2.624000  
1 1 1 6  13 53  o 8.1470  1.6440 -5.195000      3.288000  
1 1 1 6  13 54  o 8.4980  1.8050 1.344000       3.609000  
1 1 1 6  13 55  o 12.440  1.5090 0.9551000      3.019000  
1 1 1 6  13 56  o 13.580  1.4170 1.250000       2.834000  
1 1 1 6  13 57  o 6.0740  1.7930 -1.050000      3.587000  
1 1 1 6  13 58  o 16.570  1.2680 -1.994000      2.537000  
1 1 1 6  13 59  o 23.430  1.0470 0.1509000      2.095000  
1 1 1 6  13 60  o 6.1970  1.8140 -2.972000      3.628000  
1 1 1 6  13 61  o 7.0620  1.9670 0.6750000E-01  3.935000  
1 1 1 6  13 62  o 17.370  1.3400 2.525000       2.680000  
1 1 1 6  13 63  o 15.160  1.4950 0.1131000      2.990000  
1 1 1 6  13 64  o 12.690  1.7650 -1.152000      3.531000  
1 1 1 6  13 65  o 8.9540  2.0340 2.940000       4.067000  
1 1 1 6  13 66  o 6.7640  1.9920 0.8199000      3.984000  
1 1 1 6  13 67  o 13.430  1.8780 3.514000       3.755000  
1 1 1 6  13 68  o 11.770  2.0020 -3.123000      4.003000  
1 1 1 6  13 69  o 9.6240  2.2120 0.3400000      4.425000  
1 1 1 6  13 70  o 8.5420  2.1810 0.7569000      4.361000  
1 1 1 6  13 71  o 6.7910  2.0760 -1.299000      4.152000  
1 1 1 6  13 72  o 7.4420  2.0820 -4.638000      4.164000  
1 1 1 6  13 73  o 7.4350  2.1670 -1.776000      4.333000  
1 1 1 6  13 74  o 7.4440  2.2090 0.3955000      4.419000  
1 1 1 6  13 75  o 7.5800  2.2460 0.8441000      4.491000  
1 1 1 6  13 76  o 6.2240  2.0040 -1.296000      4.008000  
1 1 1 6  13 77  o 5.6730  1.9050 -0.5885000E-01 3.809000  
1 1 1 6  13 78  o 5.8310  1.9280 0.8888000      3.857000  
1 1 1 6  13 79  o 6.7840  2.9780 ?              ?         
1 1 1 6  13 80  o 5.3200  1.8110 0.1367000E-02  3.622000  
1 1 1 6  13 81  o 5.2330  1.7750 0.6505000      3.550000  
1 1 1 6  13 82  o 4.9770  1.7230 -0.5948000     3.447000  
1 1 1 6  13 83  o 5.4410  1.8160 -1.471000      3.633000  
1 1 1 6  13 84  o 6.2630  2.0510 -0.2862000     4.101000  
1 1 1 6  13 85  f 5.2220  1.8060 0.9742000      3.611000  
1 1 1 6  13 86  o 4.9070  1.6970 -1.022000      3.394000  
1 1 1 6  13 87  o 5.1630  1.7420 -0.2301000     3.483000  
1 1 1 6  13 88  o 4.9960  1.7170 0.7235000      3.435000  
1 1 1 6  13 89  o 4.4000  1.5380 0.2223000      3.075000  
1 1 1 6  13 90  o 4.2750  1.5140 0.7798000      3.027000  
1 1 1 6  13 91  o 4.1150  1.4690 -0.4911000     2.938000  
1 1 1 6  14 0   o 4.8020  1.2750 0.000000       0.000000  
1 1 1 6  14 1   o 13.110  0.3548 -2.829000      0.7096000 
1 1 1 6  14 2   o 33.430  0.5210 -0.2735000     1.042000  
1 1 1 6  14 3   o 53.720  0.7485 1.065000       1.497000  
1 1 1 6  14 4   o 18.650  0.4774 -4.853000      0.9548000 
1 1 1 6  14 5   o 34.340  0.4941 0.6520000E-01  0.9881000 
1 1 1 6  14 6   f 19.820  0.3964 1.447000       0.7928000 
1 1 1 6  14 7   o 19.300  0.3650 0.2542000      0.7300000 
1 1 1 6  14 8   o 35.340  0.5107 -1.395000      1.021000  
1 1 1 6  14 9   o 61.110  0.8498 1.241000       1.700000  
1 1 1 6  14 10  o 16.750  0.3957 0.6742000      0.7914000 
1 1 1 6  14 11  o 45.370  0.6398 0.5692000      1.280000  
1 1 1 6  14 12  o 10.520  0.5011 0.5203000E-02  1.002000  
1 1 1 6  14 13  o 26.030  0.4047 1.192000       0.8095000 
1 1 1 6  14 14  o 45.230  0.6376 0.2050000      1.275000  
1 1 1 6  14 15  o 19.020  0.4165 0.7598000      0.8329000 
1 1 1 6  14 16  o 38.280  0.5500 0.5604000      1.100000  
1 1 1 6  14 17  o 34.850  0.5090 0.5551000      1.018000  
1 1 1 6  14 18  o 52.510  0.7370 0.8191000      1.474000  
1 1 1 6  14 19  o 20.800  0.4342 -0.1623000     0.8684000 
1 1 1 6  14 20  o 23.190  0.4219 0.9654000      0.8438000 
1 1 1 6  14 21  o 34.870  0.5141 0.4303000      1.028000  
1 1 1 6  14 22  o 52.270  0.7353 0.8587000      1.471000  
1 1 1 6  14 23  o 29.590  0.5910 1.722000       1.182000  
1 1 1 6  14 24  o 24.230  0.4463 -0.7774000     0.8925000 
1 1 1 6  14 25  o 41.970  0.6529 1.764000       1.306000  
1 1 1 6  14 26  o 48.570  0.7457 -1.053000      1.491000  
1 1 1 6  14 27  o 19.620  0.5152 -0.2223000     1.030000  
1 1 1 6  14 28  o 40.600  0.6838 0.2044000      1.368000  
1 1 1 6  14 29  o 22.380  0.5671 -2.425000      1.134000  
1 1 1 6  14 30  o 23.800  0.4937 0.2551000      0.9875000 
1 1 1 6  14 31  o 12.100  0.5980 1.153000       1.196000  
1 1 1 6  14 32  o 30.940  0.5705 -0.8019000     1.141000  
1 1 1 6  14 33  o 43.810  0.7372 -0.6805000     1.474000  
1 1 1 6  14 34  o 28.080  0.5491 -0.7895000     1.098000  
1 1 1 6  14 35  o 19.490  0.6974 -5.330000      1.395000  
1 1 1 6  14 36  o 51.460  0.8530 0.1032000E-01  1.706000  
1 1 1 6  14 37  o 22.960  0.6060 -2.400000      1.212000  
1 1 1 6  14 38  o 18.510  0.5363 0.7169000      1.073000  
1 1 1 6  14 39  o 30.150  0.5844 -1.347000      1.169000  
1 1 1 6  14 40  o 5.6060  1.1920 0.6414000      2.385000  
1 1 1 6  14 41  o 19.690  0.5582 -1.924000      1.116000  
1 1 1 6  14 42  o 5.8320  1.3770 3.117000       2.755000  
1 1 1 6  14 43  o 20.090  0.6857 0.6149000E-01  1.371000  
1 1 1 6  14 44  o 14.200  0.8270 0.3113000      1.654000  
1 1 1 6  14 45  o 23.280  0.6874 0.6135000      1.375000  
1 1 1 6  14 46  o 17.070  0.7833 1.794000       1.567000  
1 1 1 6  14 47  o 10.770  1.1780 -1.392000      2.355000  
1 1 1 6  14 48  o 17.240  0.7973 -1.299000      1.595000  
1 1 1 6  14 49  o 10.850  1.4970 1.989000       2.993000  
1 1 1 6  14 50  o 34.490  0.8602 0.2402000      1.720000  
1 1 1 6  14 51  o 14.330  1.4320 -0.4281000     2.864000  
1 1 1 6  14 52  o 14.350  1.1810 2.582000       2.363000  
1 1 1 6  14 53  o 8.6540  1.7620 2.117000       3.523000  
1 1 1 6  14 54  o 20.460  1.0010 -0.2689000E-01 2.002000  
1 1 1 6  14 55  o 21.400  0.9974 -0.1999000     1.995000  
1 1 1 6  14 56  o 25.650  0.9683 -0.9408000     1.937000  
1 1 1 6  14 57  o 12.100  1.7010 0.2420000      3.402000  
1 1 1 6  14 58  o 17.140  1.3140 5.254000       2.629000  
1 1 1 6  14 59  o 8.4800  1.9800 0.3402000      3.960000  
1 1 1 6  14 60  o 17.010  1.2890 -1.827000      2.578000  
1 1 1 6  14 61  o 8.7950  2.0490 2.126000       4.098000  
1 1 1 6  14 62  o 6.7120  1.9400 -0.4841000     3.881000  
1 1 1 6  14 63  o 9.5760  2.0400 3.213000       4.081000  
1 1 1 6  14 64  o 7.1660  1.9820 -2.433000      3.963000  
1 1 1 6  14 65  f 6.5110  1.9600 -1.925000      3.921000  
1 1 1 6  14 66  o 6.1010  1.8750 -0.9588000     3.749000  
1 1 1 6  14 67  o 7.2540  2.0770 -0.5132000     4.153000  
1 1 1 6  14 68  o 5.7100  1.8640 0.2887000E-02  3.728000  
1 1 1 6  14 69  f 8.1570  2.2210 0.2120000E-01  4.443000  
1 1 1 6  14 70  o 8.5980  2.2470 -1.891000      4.494000  
1 1 1 6  14 71  o 11.040  2.2590 -2.068000      4.519000  
1 1 1 6  14 72  o 8.8270  2.2620 -3.271000      4.523000  
1 1 1 6  14 73  o 6.7690  2.0140 2.391000       4.027000  
1 1 1 6  14 74  o 8.8820  2.2460 -4.199000      4.491000  
1 1 1 6  14 75  o 6.3480  1.9850 0.8604000      3.970000  
1 1 1 6  14 76  o 6.9850  2.1610 -0.3653000     4.322000  
1 1 1 6  14 77  o 6.4130  2.0700 1.090000       4.139000  
1 1 1 6  14 78  o 5.5430  1.8530 -0.2128000     3.706000  
1 1 1 6  14 79  o 6.1280  1.9760 1.111000       3.953000  
1 1 1 6  14 80  o 5.2680  1.7620 -1.740000      3.523000  
1 1 1 6  14 81  o 6.4880  2.0730 -0.1150000E-01 4.145000  
1 1 1 6  14 82  o 7.2110  2.1820 -0.6720000     4.365000  
1 1 1 6  14 83  o 4.8420  1.6870 0.4717000      3.373000  
1 1 1 6  14 84  o 5.5240  1.8740 0.7955000      3.747000  
1 1 1 6  14 85  o 5.9280  1.9330 1.282000       3.867000  
1 1 1 6  14 86  o 5.2260  1.7590 1.140000       3.517000  
1 1 1 6  14 87  o 4.7360  2.2730 ?              ?         
1 1 1 6  14 88  o 3.6430  1.8160 ?              ?         
1 1 1 6  14 89  f 4.0800  1.4330 1.449000       2.866000  
1 1 1 6  15 0   o 33.440  0.6869 0.000000       0.000000  
1 1 1 6  15 1   o 42.720  0.6026 0.3642000      1.205000  
1 1 1 6  15 2   o 30.290  0.4488 -0.2319000     0.8977000 
1 1 1 6  15 3   o 20.550  0.5256 -10.83000      1.051000  
1 1 1 6  15 4   o 44.140  0.6209 0.2654000      1.242000  
1 1 1 6  15 5   o 17.830  0.4978 -6.008000      0.9956000 
1 1 1 6  15 6   f 62.180  0.8659 1.770000       1.732000  
1 1 1 6  15 7   o 48.360  0.7317 2.730000       1.463000  
1 1 1 6  15 8   o 20.600  0.4682 -0.1061000     0.9365000 
1 1 1 6  15 9   o 39.410  0.5620 0.6952000      1.124000  
1 1 1 6  15 10  o 40.250  0.5742 0.6202000      1.148000  
1 1 1 6  15 11  o 15.340  0.4676 -2.863000      0.9352000 
1 1 1 6  15 12  o 32.970  0.5225 -1.748000      1.045000  
1 1 1 6  15 13  o 50.240  0.7039 1.802000       1.408000  
1 1 1 6  15 14  o 27.610  0.4935 0.7380000      0.9869000 
1 1 1 6  15 15  o 31.520  0.4685 0.5866000      0.9370000 
1 1 1 6  15 16  f 8.8920  0.5696 -1.096000      1.139000  
1 1 1 6  15 17  o 22.610  0.4191 -0.5172000     0.8382000 
1 1 1 6  15 18  o 64.400  0.8968 1.903000       1.794000  
1 1 1 6  15 19  o 19.780  0.4447 -0.4551000     0.8894000 
1 1 1 6  15 20  o 54.580  0.7679 -0.4802000     1.536000  
1 1 1 6  15 21  o 42.560  0.6613 1.218000       1.323000  
1 1 1 6  15 22  o 41.090  0.5954 -2.093000      1.191000  
1 1 1 6  15 23  o 69.340  0.9690 1.298000       1.938000  
1 1 1 6  15 24  o 29.400  0.5379 -1.969000      1.076000  
1 1 1 6  15 25  o 21.280  0.4372 -0.3268000     0.8745000 
1 1 1 6  15 26  o 14.020  0.4534 -0.6636000     0.9068000 
1 1 1 6  15 27  o 8.9830  0.6254 0.1099000      1.251000  
1 1 1 6  15 28  o 11.050  0.5274 -0.6508000     1.055000  
1 1 1 6  15 29  o 30.920  0.5641 0.3014000      1.128000  
1 1 1 6  15 30  o 25.900  0.6581 -0.1684000     1.316000  
1 1 1 6  15 31  o 34.930  0.6155 -0.7487000     1.231000  
1 1 1 6  15 32  o 19.900  0.5016 0.9456000      1.003000  
1 1 1 6  15 33  o 28.860  0.5572 -0.1183000     1.114000  
1 1 1 6  15 34  o 10.120  0.7464 0.8720000      1.493000  
1 1 1 6  15 35  o 13.090  0.5872 -1.514000      1.174000  
1 1 1 6  15 36  o 22.700  0.5251 -1.827000      1.050000  
1 1 1 6  15 37  o 40.990  0.7138 -1.464000      1.428000  
1 1 1 6  15 38  o 29.770  0.5886 0.4172000      1.177000  
1 1 1 6  15 39  o 18.780  0.5541 0.4683000      1.108000  
1 1 1 6  15 40  o 24.830  0.5725 0.1608000      1.145000  
1 1 1 6  15 41  o 17.800  0.5963 -0.7735000     1.193000  
1 1 1 6  15 42  o 42.670  0.7468 -0.2062000     1.494000  
1 1 1 6  15 43  o 29.360  0.6086 -1.111000      1.217000  
1 1 1 6  15 44  o 17.860  0.6382 -0.2516000     1.276000  
1 1 1 6  15 45  o 27.560  0.6148 0.2322000      1.230000  
1 1 1 6  15 46  o 9.1150  1.3230 0.6844000      2.646000  
1 1 1 6  15 47  o 13.140  1.2380 0.6251000      2.476000  
1 1 1 6  15 48  o 19.530  0.7725 1.794000       1.545000  
1 1 1 6  15 49  o 19.820  0.8003 0.1697000      1.601000  
1 1 1 6  15 50  o 12.020  1.2520 -1.068000      2.504000  
1 1 1 6  15 51  o 24.350  0.8064 -0.8920000     1.613000  
1 1 1 6  15 52  o 24.100  0.8046 1.025000       1.609000  
1 1 1 6  15 53  o 7.8080  1.9050 -1.303000      3.810000  
1 1 1 6  15 54  o 7.5280  1.8820 -2.340000      3.764000  
1 1 1 6  15 55  o 17.370  1.1760 -0.5943000     2.353000  
1 1 1 6  15 56  o 12.100  1.6530 3.588000       3.305000  
1 1 1 6  15 57  o 8.0570  2.1300 -5.477000      4.259000  
1 1 1 6  15 58  f 9.1690  1.9710 2.464000       3.943000  
1 1 1 6  15 59  o 6.5720  1.8970 0.2566000      3.794000  
1 1 1 6  15 60  o 6.6830  1.8640 2.846000       3.727000  
1 1 1 6  15 61  o 6.3820  1.9180 -0.2248000     3.837000  
1 1 1 6  15 62  o 18.280  1.3420 2.269000       2.685000  
1 1 1 6  15 63  f 17.040  1.4060 0.3986000      2.811000  
1 1 1 6  15 64  o 10.220  1.9960 -4.441000      3.992000  
1 1 1 6  15 65  o 8.2480  2.0980 -1.700000      4.196000  
1 1 1 6  15 66  o 7.5640  2.1060 -0.3039000     4.213000  
1 1 1 6  15 67  o 7.4800  1.9940 3.630000       3.988000  
1 1 1 6  15 68  o 10.930  2.1760 -0.1382000     4.353000  
1 1 1 6  15 69  f 7.6180  2.1490 -1.963000      4.299000  
1 1 1 6  15 70  f 5.0720  1.7100 -0.3209000     3.421000  
1 1 1 6  15 71  f 6.2270  1.9560 0.2969000E-01  3.912000  
1 1 1 6  15 72  o 6.8270  2.0860 0.1192000      4.173000  
1 1 1 6  15 73  o 8.6420  2.2770 1.570000       4.554000  
1 1 1 6  15 74  f 7.3310  2.1830 -0.1446000     4.366000  
1 1 1 6  15 75  o 5.7450  1.8800 1.164000       3.760000  
1 1 1 6  15 76  o 5.5640  1.8580 -1.226000      3.716000  
1 1 1 6  15 77  o 7.6500  2.1390 1.978000       4.278000  
1 1 1 6  15 78  o 5.6440  1.8270 -1.310000      3.654000  
1 1 1 6  15 79  o 6.1810  1.9520 0.9147000      3.905000  
1 1 1 6  15 80  o 4.9640  1.7220 1.165000       3.444000  
1 1 1 6  15 81  o 5.6840  1.9070 1.112000       3.814000  
1 1 1 6  15 82  o 5.8830  1.9520 -0.6614000     3.903000  
1 1 1 6  15 83  o 6.0320  1.9780 2.687000       3.957000  
1 1 1 6  15 84  o 4.8770  1.6940 0.5974000      3.388000  
1 1 1 6  15 85  o 5.0720  1.7330 -0.6861000     3.465000  
1 1 1 6  15 86  o 5.3940  1.7940 0.1273000      3.587000  
1 1 1 6  15 87  o 4.2380  1.4410 -0.5991000     2.882000  
1 1 1 6  15 88  f 3.9870  1.4190 -0.3795000     2.837000  
1 1 1 6  16 0   o 33.680  0.6907 -0.000000      0.000000  
1 1 1 6  16 1   o 19.210  0.4032 -0.4127000     0.8064000 
1 1 1 6  16 2   o 24.920  0.3912 0.7203000E-01  0.7824000 
1 1 1 6  16 3   o 37.970  0.5424 1.309000       1.085000  
1 1 1 6  16 4   o 29.220  0.4786 2.470000       0.9571000 
1 1 1 6  16 5   o 47.340  0.6655 -0.6664000E-01 1.331000  
1 1 1 6  16 6   o 29.110  0.4761 -1.164000      0.9522000 
1 1 1 6  16 7   o 18.800  0.4110 2.789000       0.8220000 
1 1 1 6  16 8   o 42.460  0.6028 0.5417000      1.206000  
1 1 1 6  16 9   o 18.460  0.4108 -0.4017000     0.8215000 
1 1 1 6  16 10  o 18.650  0.3842 -0.2314000     0.7684000 
1 1 1 6  16 11  o 47.180  0.6673 1.446000       1.335000  
1 1 1 6  16 12  o 44.920  0.7369 -0.6720000     1.474000  
1 1 1 6  16 13  o 23.060  0.4514 0.4300000      0.9028000 
1 1 1 6  16 14  o 16.100  0.4249 3.617000       0.8497000 
1 1 1 6  16 15  o 27.170  0.4261 0.6868000      0.8522000 
1 1 1 6  16 16  o 38.930  0.5618 0.4833000      1.124000  
1 1 1 6  16 17  o 41.200  0.5916 -0.4167000     1.183000  
1 1 1 6  16 18  o 11.520  0.5170 -1.653000      1.034000  
1 1 1 6  16 19  o 17.410  0.4064 -0.7461000     0.8129000 
1 1 1 6  16 20  o 14.430  0.4009 -0.7397000     0.8017000 
1 1 1 6  16 21  o 23.720  0.4104 0.2717000      0.8208000 
1 1 1 6  16 22  o 5.1160  0.9974 1.527000       1.995000  
1 1 1 6  16 23  o 24.100  0.4200 -0.7401000     0.8400000 
1 1 1 6  16 24  o 37.060  0.5939 -2.503000      1.188000  
1 1 1 6  16 25  o 36.810  0.6333 -3.001000      1.267000  
1 1 1 6  16 26  f 21.820  0.4504 -0.5735000     0.9007000 
1 1 1 6  16 27  o 19.340  0.4552 1.237000       0.9104000 
1 1 1 6  16 28  o 16.980  0.5077 -0.8289000     1.015000  
1 1 1 6  16 29  o 40.520  0.6458 1.244000       1.292000  
1 1 1 6  16 30  o 47.980  0.7448 0.6780000      1.490000  
1 1 1 6  16 31  o 39.920  0.6917 -1.996000      1.383000  
1 1 1 6  16 32  o 39.260  0.6808 -2.150000      1.362000  
1 1 1 6  16 33  o 40.370  0.6996 -0.2796000     1.399000  
1 1 1 6  16 34  o 9.9730  1.0340 -2.023000      2.068000  
1 1 1 6  16 35  o 42.340  0.7258 0.7713000E-01  1.452000  
1 1 1 6  16 36  o 21.510  0.5356 0.2748000      1.071000  
1 1 1 6  16 37  o 12.840  0.6622 2.346000       1.324000  
1 1 1 6  16 38  o 29.000  0.5907 0.2284000E-01  1.181000  
1 1 1 6  16 39  o 19.360  0.5708 -0.6495000     1.142000  
1 1 1 6  16 40  o 24.420  0.5747 -0.7658000     1.149000  
1 1 1 6  16 41  o 28.350  0.6067 1.479000       1.213000  
1 1 1 6  16 42  o 35.790  0.6709 -0.5257000E-01 1.342000  
1 1 1 6  16 43  o 27.110  0.7279 3.134000       1.456000  
1 1 1 6  16 44  o 15.780  0.6920 -0.4792000E-01 1.384000  
1 1 1 6  16 45  o 22.240  0.6298 2.045000       1.260000  
1 1 1 6  16 46  o 17.140  0.6720 0.5484000      1.344000  
1 1 1 6  16 47  o 21.580  0.6269 0.7892000E-01  1.254000  
1 1 1 6  16 48  o 28.720  0.6499 -2.121000      1.300000  
1 1 1 6  16 49  o 7.3170  1.3120 -2.998000      2.624000  
1 1 1 6  16 50  o 12.610  1.1730 -0.8832000     2.346000  
1 1 1 6  16 51  o 6.3940  1.6260 0.8483000      3.252000  
1 1 1 6  16 52  o 13.460  1.1930 -3.018000      2.386000  
1 1 1 6  16 53  o 12.980  1.2130 -0.4005000     2.426000  
1 1 1 6  16 54  o 21.510  0.8878 -0.4189000     1.776000  
1 1 1 6  16 55  f 8.1570  1.6570 -0.9291000     3.314000  
1 1 1 6  16 56  o 18.050  0.9649 1.215000       1.930000  
1 1 1 6  16 57  o 17.890  1.0480 -2.478000      2.095000  
1 1 1 6  16 58  o 6.0570  1.7910 2.113000       3.582000  
1 1 1 6  16 59  o 16.020  1.4440 2.006000       2.887000  
1 1 1 6  16 60  o 19.160  1.2080 0.4944000      2.416000  
1 1 1 6  16 61  o 5.5700  1.7750 0.1326000      3.551000  
1 1 1 6  16 62  o 15.350  1.5170 1.120000       3.033000  
1 1 1 6  16 63  o 7.9110  2.0300 -1.913000      4.060000  
1 1 1 6  16 64  o 9.7730  2.1440 3.962000       4.289000  
1 1 1 6  16 65  o 15.560  1.5820 0.9637000      3.164000  
1 1 1 6  16 66  o 14.310  1.6930 -0.4404000     3.387000  
1 1 1 6  16 67  o 7.5600  2.0180 -4.304000      4.036000  
1 1 1 6  16 68  o 10.090  2.1080 -2.910000      4.217000  
1 1 1 6  16 69  o 6.6690  2.0080 -2.109000      4.016000  
1 1 1 6  16 70  o 7.4730  2.0790 1.252000       4.159000  
1 1 1 6  16 71  o 8.4550  2.2070 -2.617000      4.414000  
1 1 1 6  16 72  o 5.9760  1.9280 -0.3403000     3.856000  
1 1 1 6  16 73  o 6.7090  2.0560 0.9135000      4.111000  
1 1 1 6  16 74  o 5.9460  1.9220 -1.047000      3.845000  
1 1 1 6  16 75  o 5.7270  1.8750 -0.1985000     3.751000  
1 1 1 6  16 76  o 7.9030  2.1870 0.2519000      4.375000  
1 1 1 6  16 77  o 5.5890  1.8200 -1.564000      3.641000  
1 1 1 6  16 78  o 6.3620  1.9970 0.9775000      3.994000  
1 1 1 6  16 79  o 5.2440  1.7660 -0.3280000     3.532000  
1 1 1 6  16 80  f 4.4160  1.5490 -0.4233000E-01 3.098000  
1 1 1 6  16 81  f 5.2280  1.7570 -1.442000      3.514000  
1 1 1 6  16 82  o 5.2460  1.7420 -0.1307000     3.484000  
1 1 1 6  16 83  o 4.7720  1.6210 0.7762000      3.242000  
1 1 1 6  16 84  o 5.4660  1.8210 -0.2144000E-01 3.643000  
1 1 1 6  16 85  f 3.8560  1.3530 -0.2235000     2.706000  
1 1 1 6  16 86  o 3.6900  1.3240 0.4207000      2.649000  
1 1 1 6  16 87  o 3.7250  1.8900 ?              ?         
1 1 1 6  17 0   o 59.210  1.1660 0.000000       0.000000  
1 1 1 6  17 1   o 34.460  0.7188 5.025000       1.438000  
1 1 1 6  17 2   o 32.940  0.5599 0.6664000      1.120000  
1 1 1 6  17 3   o 46.890  0.6615 -0.2318000     1.323000  
1 1 1 6  17 4   o 35.290  0.5557 1.631000       1.111000  
1 1 1 6  17 5   o 44.330  0.6268 -0.5220000     1.254000  
1 1 1 6  17 6   o 30.660  0.4981 -0.8186000E-01 0.9962000 
1 1 1 6  17 7   o 33.020  0.5656 -4.071000      1.131000  
1 1 1 6  17 8   o 61.240  0.8545 0.1956000E-01  1.709000  
1 1 1 6  17 9   o 37.490  0.6329 -2.228000      1.266000  
1 1 1 6  17 10  o 17.540  0.4997 -4.740000      0.9993000 
1 1 1 6  17 11  o 34.860  0.5125 2.346000       1.025000  
1 1 1 6  17 12  o 39.740  0.5748 0.7048000      1.150000  
1 1 1 6  17 13  o 21.060  0.5294 2.693000       1.059000  
1 1 1 6  17 14  o 33.180  0.4962 0.9263000      0.9924000 
1 1 1 6  17 15  o 35.970  0.5279 -0.2900000     1.056000  
1 1 1 6  17 16  o 35.320  0.6022 0.5850000      1.204000  
1 1 1 6  17 17  o 25.540  0.4236 1.941000       0.8471000 
1 1 1 6  17 18  o 30.000  0.4658 0.8126000      0.9315000 
1 1 1 6  17 19  o 4.9620  1.0470 1.257000       2.094000  
1 1 1 6  17 20  o 13.520  0.5338 -2.187000      1.068000  
1 1 1 6  17 21  o 50.600  0.7196 0.8210000      1.439000  
1 1 1 6  17 22  o 34.010  0.5166 0.4030000      1.033000  
1 1 1 6  17 23  o 11.250  0.6159 -2.174000      1.232000  
1 1 1 6  17 24  o 24.510  0.4290 0.7996000      0.8581000 
1 1 1 6  17 25  o 30.730  0.4826 0.5915000      0.9652000 
1 1 1 6  17 26  o 22.000  0.4232 0.1483000      0.8464000 
1 1 1 6  17 27  o 37.840  0.6117 -0.4790000E-01 1.223000  
1 1 1 6  17 28  f 20.160  0.5256 1.121000       1.051000  
1 1 1 6  17 29  o 11.740  0.5915 1.339000       1.183000  
1 1 1 6  17 30  o 17.770  0.4888 0.7067000      0.9776000 
1 1 1 6  17 31  o 11.600  0.5744 -1.249000      1.149000  
1 1 1 6  17 32  o 8.3210  0.9475 -2.726000      1.895000  
1 1 1 6  17 33  o 34.930  0.6318 0.4052000E-01  1.264000  
1 1 1 6  17 34  o 36.760  0.6565 0.8873000E-01  1.313000  
1 1 1 6  17 35  o 9.4360  1.1770 -1.188000      2.355000  
1 1 1 6  17 36  o 41.130  0.7228 0.2020000      1.446000  
1 1 1 6  17 37  o 53.140  0.8905 0.3269000      1.781000  
1 1 1 6  17 38  o 20.310  0.6500 -1.293000      1.300000  
1 1 1 6  17 39  o 19.080  0.5991 -0.3038000E-01 1.198000  
1 1 1 6  17 40  f 37.130  0.6802 -0.7653000     1.360000  
1 1 1 6  17 41  o 24.050  0.6076 0.4337000      1.215000  
1 1 1 6  17 42  o 25.310  0.6125 0.5894000      1.225000  
1 1 1 6  17 43  o 50.840  0.8717 0.5913000      1.743000  
1 1 1 6  17 44  o 42.700  0.7699 0.5320000E-01  1.540000  
1 1 1 6  17 45  o 31.240  0.6527 0.3801000      1.305000  
1 1 1 6  17 46  o 27.540  0.6445 0.7324000      1.289000  
1 1 1 6  17 47  o 9.7810  1.0990 -0.6613000     2.197000  
1 1 1 6  17 48  o 12.420  0.8913 -1.056000      1.783000  
1 1 1 6  17 49  o 19.170  0.6843 0.1044000      1.369000  
1 1 1 6  17 50  o 4.9470  1.3910 -0.1343000     2.783000  
1 1 1 6  17 51  o 7.8210  1.3710 1.483000       2.741000  
1 1 1 6  17 52  o 3.8920  1.2330 -1.086000      2.466000  
1 1 1 6  17 53  o 10.930  1.0350 1.999000       2.071000  
1 1 1 6  17 54  o 14.220  1.1270 -0.8555000     2.254000  
1 1 1 6  17 55  o 5.1270  1.5660 2.194000       3.133000  
1 1 1 6  17 56  o 5.8700  1.6600 1.640000       3.321000  
1 1 1 6  17 57  o 11.180  1.5230 -3.730000      3.046000  
1 1 1 6  17 58  o 13.270  1.2490 1.539000       2.498000  
1 1 1 6  17 59  o 12.980  1.2830 -0.2816000     2.567000  
1 1 1 6  17 60  o 8.5550  1.5980 -2.849000      3.196000  
1 1 1 6  17 61  o 19.940  0.9639 -1.046000      1.928000  
1 1 1 6  17 62  f 7.4870  2.0370 -0.3207000     4.073000  
1 1 1 6  17 63  o 5.9170  1.8370 0.5405000      3.674000  
1 1 1 6  17 64  o 5.7260  1.7910 1.486000       3.582000  
1 1 1 6  17 65  o 6.9010  1.9530 -2.920000      3.905000  
1 1 1 6  17 66  o 5.1390  1.7010 0.4631000      3.403000  
1 1 1 6  17 67  o 5.3710  1.7580 -0.4043000     3.516000  
1 1 1 6  17 68  o 7.5450  2.0950 -0.9584000     4.191000  
1 1 1 6  17 69  o 6.6720  2.0020 -1.811000      4.003000  
1 1 1 6  17 70  o 6.1820  1.9160 -1.162000      3.832000  
1 1 1 6  17 71  o 6.8520  2.1480 -0.2233000E-01 4.297000  
1 1 1 6  17 72  o 6.6290  2.0120 0.1478000      4.024000  
1 1 1 6  17 73  o 5.6610  1.8140 1.304000       3.628000  
1 1 1 6  17 74  o 7.5890  2.1320 0.2180000      4.265000  
1 1 1 6  17 75  o 5.3510  1.7810 -0.3724000     3.563000  
1 1 1 6  17 76  o 5.9070  1.8800 -1.531000      3.760000  
1 1 1 6  17 77  o 4.9780  1.6930 0.3696000      3.387000  
1 1 1 6  17 78  o 6.8100  2.0740 -0.4807000E-01 4.148000  
1 1 1 6  17 79  o 4.9110  1.6740 -0.6187000     3.349000  
1 1 1 6  17 80  o 5.0080  1.6740 -1.369000      3.348000  
1 1 1 6  17 81  o 4.3880  1.5200 -0.7004000     3.040000  
1 1 1 6  17 82  o 4.8610  1.6330 -0.2021000     3.267000  
1 1 1 6  17 83  f 3.4840  1.2250 0.7322000      2.451000  
1 1 1 6  17 84  o 3.4500  1.2280 0.4014000      2.457000  
1 1 1 6  17 85  o 4.0300  2.0350 ?              ?         
1 1 1 6  18 0   o 13.460  0.5631 -0.000000      0.000000  
1 1 1 6  18 1   o 25.000  0.4068 -0.3320000     0.8136000 
1 1 1 6  18 2   f 19.890  0.4909 4.370000       0.9818000 
1 1 1 6  18 3   o 41.240  0.5895 0.7339000      1.179000  
1 1 1 6  18 4   o 25.310  0.5902 4.309000       1.180000  
1 1 1 6  18 5   o 46.550  0.6597 1.755000       1.319000  
1 1 1 6  18 6   o 33.670  0.7069 -0.8534000     1.414000  
1 1 1 6  18 7   o 58.870  0.8229 -0.3754000E-02 1.646000  
1 1 1 6  18 8   o 28.280  0.6269 7.476000       1.254000  
1 1 1 6  18 9   o 36.560  0.5359 0.1275000      1.072000  
1 1 1 6  18 10  o 43.710  0.6259 0.8012000      1.252000  
1 1 1 6  18 11  o 21.760  0.4591 -3.102000      0.9183000 
1 1 1 6  18 12  o 44.280  0.6312 1.622000       1.262000  
1 1 1 6  18 13  o 19.010  0.5681 -0.7394000     1.136000  
1 1 1 6  18 14  o 45.780  0.6528 0.7442000      1.306000  
1 1 1 6  18 15  o 13.390  0.6330 -2.861000      1.266000  
1 1 1 6  18 16  o 29.230  0.4583 0.1853000      0.9166000 
1 1 1 6  18 17  o 27.770  0.4448 -0.4682000     0.8896000 
1 1 1 6  18 18  o 23.870  0.4164 1.341000       0.8328000 
1 1 1 6  18 19  o 18.470  0.4537 -1.617000      0.9074000 
1 1 1 6  18 20  o 22.150  0.4128 -0.2266000     0.8256000 
1 1 1 6  18 21  o 28.160  0.4551 0.2473000      0.9102000 
1 1 1 6  18 22  o 19.020  0.4912 -0.8262000     0.9823000 
1 1 1 6  18 23  o 27.560  0.4584 -0.2954000     0.9168000 
1 1 1 6  18 24  o 26.530  0.4576 0.6578000      0.9152000 
1 1 1 6  18 25  o 33.510  0.5177 -0.6471000     1.035000  
1 1 1 6  18 26  o 10.780  0.6719 -0.3566000     1.344000  
1 1 1 6  18 27  o 17.480  0.4411 0.2467000      0.8821000 
1 1 1 6  18 28  o 10.570  0.5894 -0.2585000     1.179000  
1 1 1 6  18 29  o 14.190  0.5443 0.4116000      1.089000  
1 1 1 6  18 30  o 30.980  0.5487 -0.8630000E-01 1.097000  
1 1 1 6  18 31  o 28.260  0.5268 1.668000       1.054000  
1 1 1 6  18 32  o 18.330  0.5014 0.9165000E-01  1.003000  
1 1 1 6  18 33  o 36.670  0.6605 0.3851000      1.321000  
1 1 1 6  18 34  o 43.800  0.7536 -0.7142000     1.507000  
1 1 1 6  18 35  o 24.530  0.7149 -1.143000      1.430000  
1 1 1 6  18 36  o 15.680  0.6188 -1.656000      1.238000  
1 1 1 6  18 37  o 6.0070  1.2640 2.079000       2.528000  
1 1 1 6  18 38  o 19.040  0.6164 -1.297000      1.233000  
1 1 1 6  18 39  o 33.580  0.6530 -0.1086000E-01 1.306000  
1 1 1 6  18 40  o 48.570  0.8384 -1.212000      1.677000  
1 1 1 6  18 41  o 26.260  0.6159 0.8720000      1.232000  
1 1 1 6  18 42  o 10.470  0.9727 0.3105000      1.945000  
1 1 1 6  18 43  o 11.540  0.8955 1.012000       1.791000  
1 1 1 6  18 44  o 10.920  0.9122 -0.4704000     1.824000  
1 1 1 6  18 45  o 5.9770  1.3040 2.560000       2.608000  
1 1 1 6  18 46  o 4.1920  1.2670 0.5332000      2.533000  
1 1 1 6  18 47  f 13.350  0.8353 0.7853000      1.671000  
1 1 1 6  18 48  o 11.090  0.9738 -0.2098000     1.948000  
1 1 1 6  18 49  o 20.230  0.6797 1.857000       1.359000  
1 1 1 6  18 50  o 12.030  0.9968 1.950000       1.994000  
1 1 1 6  18 51  o 15.310  0.7847 -0.3524000     1.569000  
1 1 1 6  18 52  o 11.940  0.9839 0.1858000      1.968000  
1 1 1 6  18 53  o 16.290  0.7654 -0.2730000     1.531000  
1 1 1 6  18 54  o 16.700  0.7785 -0.7941000     1.557000  
1 1 1 6  18 55  o 4.6110  1.3640 -0.8654000     2.728000  
1 1 1 6  18 56  o 15.970  0.7876 -0.3694000     1.575000  
1 1 1 6  18 57  o 5.0630  1.4270 1.201000       2.855000  
1 1 1 6  18 58  o 7.4820  1.3400 -3.995000      2.680000  
1 1 1 6  18 59  o 10.040  1.5790 0.5528000      3.157000  
1 1 1 6  18 60  o 10.110  1.5890 -1.740000      3.177000  
1 1 1 6  18 61  o 5.3660  1.6170 0.7740000      3.233000  
1 1 1 6  18 62  f 4.9970  1.5640 0.8688000      3.128000  
1 1 1 6  18 63  o 13.950  1.2660 -0.2873000     2.532000  
1 1 1 6  18 64  o 5.7110  1.6820 2.527000       3.365000  
1 1 1 6  18 65  f 6.2220  1.7500 2.612000       3.499000  
1 1 1 6  18 66  o 6.3670  1.7360 3.092000       3.473000  
1 1 1 6  18 67  o 7.1140  2.0130 -2.195000      4.027000  
1 1 1 6  18 68  o 5.9580  1.8830 -1.343000      3.766000  
1 1 1 6  18 69  o 6.0490  1.8550 2.143000       3.709000  
1 1 1 6  18 70  o 6.5320  1.9620 1.247000       3.924000  
1 1 1 6  18 71  o 6.1280  1.8650 -3.256000      3.730000  
1 1 1 6  18 72  o 5.4400  1.7690 0.6434000      3.539000  
1 1 1 6  18 73  o 7.7150  2.0750 1.932000       4.150000  
1 1 1 6  18 74  o 5.1060  1.7200 -0.5376000     3.439000  
1 1 1 6  18 75  o 4.9010  1.6710 0.9002000      3.343000  
1 1 1 6  18 76  o 5.2490  1.7600 0.3587000      3.521000  
1 1 1 6  18 77  o 5.1820  1.7190 -0.2766000     3.439000  
1 1 1 6  18 78  o 4.9960  1.6500 -0.3968000     3.300000  
1 1 1 6  18 79  o 4.7920  1.6380 0.9784000      3.276000  
1 1 1 6  18 80  o 4.1830  1.4680 -0.2365000     2.935000  
1 1 1 6  18 81  o 3.4470  1.2080 -0.3583000E-01 2.415000  
1 1 1 6  18 82  o 4.0990  1.4060 0.2610000E-01  2.813000  
1 1 1 6  18 83  o 4.0840  2.0490 ?              ?         
1 1 1 6  19 0   o 16.210  0.8349 0.000000       0.000000  
1 1 1 6  19 1   o 43.470  0.6723 3.174000       1.345000  
1 1 1 6  19 2   f 59.120  0.8290 -0.2731000     1.658000  
1 1 1 6  19 3   o 48.500  0.7451 -1.823000      1.490000  
1 1 1 6  19 4   o 31.810  0.6280 -1.723000      1.256000  
1 1 1 6  19 5   o 32.070  0.4850 0.3616000      0.9700000 
1 1 1 6  19 6   o 20.820  0.4311 0.6051000      0.8622000 
1 1 1 6  19 7   o 25.850  0.4245 0.7547000      0.8490000 
1 1 1 6  19 8   o 35.180  0.6087 0.4203000      1.217000  
1 1 1 6  19 9   o 50.180  0.7102 0.2498000      1.420000  
1 1 1 6  19 10  o 17.640  0.8927 ?              ?         
1 1 1 6  19 11  o 44.110  0.6322 -0.1145000     1.264000  
1 1 1 6  19 12  o 27.700  0.5731 2.488000       1.146000  
1 1 1 6  19 13  o 30.280  0.4705 -1.032000      0.9410000 
1 1 1 6  19 14  o 30.700  0.6242 7.172000       1.248000  
1 1 1 6  19 15  o 50.830  0.7214 0.7362000      1.443000  
1 1 1 6  19 16  o 13.680  0.6754 -0.3649000     1.351000  
1 1 1 6  19 17  o 22.870  0.4182 0.7285000      0.8364000 
1 1 1 6  19 18  o 13.290  0.4596 -0.3187000     0.9191000 
1 1 1 6  19 19  o 14.430  0.4501 0.6079000      0.9002000 
1 1 1 6  19 20  o 5.5640  0.9517 -0.1575000     1.903000  
1 1 1 6  19 21  f 13.930  0.4976 0.9199000      0.9951000 
1 1 1 6  19 22  o 37.570  0.5598 0.5310000      1.120000  
1 1 1 6  19 23  o 21.100  0.5087 -0.6463000     1.017000  
1 1 1 6  19 24  o 20.930  0.4314 -0.1340000     0.8628000 
1 1 1 6  19 25  o 18.040  0.4453 -0.5491000     0.8906000 
1 1 1 6  19 26  o 7.3390  0.9508 2.276000       1.902000  
1 1 1 6  19 27  o 28.670  0.4797 0.4739000      0.9594000 
1 1 1 6  19 28  o 13.890  0.5136 0.7238000      1.027000  
1 1 1 6  19 29  f 7.2900  1.0540 -0.9558000     2.107000  
1 1 1 6  19 30  o 55.550  0.9257 2.224000       1.851000  
1 1 1 6  19 31  o 15.030  0.7215 1.657000       1.443000  
1 1 1 6  19 32  o 29.990  0.5558 -0.8716000     1.112000  
1 1 1 6  19 33  o 34.510  0.5964 0.7380000      1.193000  
1 1 1 6  19 34  o 29.090  0.6258 2.330000       1.252000  
1 1 1 6  19 35  o 20.380  0.6250 -1.694000      1.250000  
1 1 1 6  19 36  o 25.710  0.5942 -1.340000      1.188000  
1 1 1 6  19 37  o 41.230  0.7336 -0.2105000     1.467000  
1 1 1 6  19 38  o 28.110  0.6080 -0.3293000     1.216000  
1 1 1 6  19 39  o 17.470  0.6393 -0.6326000     1.279000  
1 1 1 6  19 40  o 10.350  0.9942 0.4439000      1.988000  
1 1 1 6  19 41  o 15.250  0.7254 -0.3279000     1.451000  
1 1 1 6  19 42  o 34.850  0.6795 -0.8374000     1.359000  
1 1 1 6  19 43  o 8.7270  1.2010 1.283000       2.402000  
1 1 1 6  19 44  o 13.450  0.8224 0.3310000      1.645000  
1 1 1 6  19 45  f 26.030  0.6338 0.4619000      1.268000  
1 1 1 6  19 46  o 23.790  0.6408 -0.6274000     1.282000  
1 1 1 6  19 47  o 15.620  0.7512 -0.9723000     1.502000  
1 1 1 6  19 48  o 14.090  0.8165 -0.2232000     1.633000  
1 1 1 6  19 49  o 7.1020  1.4030 -1.710000      2.805000  
1 1 1 6  19 50  o 9.1260  1.2240 0.1537000      2.448000  
1 1 1 6  19 51  o 14.580  0.8015 0.9714000      1.603000  
1 1 1 6  19 52  o 15.290  0.7641 -0.9070000     1.528000  
1 1 1 6  19 53  o 13.770  0.8373 -1.924000      1.675000  
1 1 1 6  19 54  f 6.8060  1.4350 -1.502000      2.870000  
1 1 1 6  19 55  o 10.410  1.1270 2.214000       2.254000  
1 1 1 6  19 56  o 9.5000  1.2480 -2.833000      2.496000  
1 1 1 6  19 57  o 10.470  1.1500 2.042000       2.299000  
1 1 1 6  19 58  o 5.8730  1.4440 1.697000       2.888000  
1 1 1 6  19 59  o 5.1900  1.4590 -0.4677000     2.919000  
1 1 1 6  19 60  o 9.3450  1.3170 -1.960000      2.633000  
1 1 1 6  19 61  o 3.7810  1.2400 0.6898000      2.481000  
1 1 1 6  19 62  o 4.0570  1.2950 -0.6699000     2.591000  
1 1 1 6  19 63  o 4.2770  1.3330 -0.6009000     2.665000  
1 1 1 6  19 64  o 4.9660  1.5700 1.009000       3.141000  
1 1 1 6  19 65  o 5.4810  1.6770 1.032000       3.354000  
1 1 1 6  19 66  o 5.1810  1.5370 -1.595000      3.074000  
1 1 1 6  19 67  o 4.6060  1.5180 1.490000       3.036000  
1 1 1 6  19 68  o 5.8290  1.7090 0.3825000      3.419000  
1 1 1 6  19 69  o 5.6450  1.6810 0.5308000      3.362000  
1 1 1 6  19 70  o 4.2510  1.4370 1.482000       2.875000  
1 1 1 6  19 71  o 4.9860  1.5670 0.8421000      3.133000  
1 1 1 6  19 72  o 5.0540  1.6930 0.8863000      3.385000  
1 1 1 6  19 73  o 5.5600  1.8160 -0.2376000     3.633000  
1 1 1 6  19 74  o 6.2380  1.9400 -0.3679000     3.881000  
1 1 1 6  19 75  o 4.5090  1.5470 1.243000       3.095000  
1 1 1 6  19 76  o 4.3040  1.4860 0.9986000E-01  2.972000  
1 1 1 6  19 77  o 4.8210  1.6190 -0.7292000     3.239000  
1 1 1 6  19 78  o 3.6640  1.2920 0.4524000E-01  2.585000  
1 1 1 6  19 79  o 4.8790  1.5380 1.232000       3.075000  
1 1 1 6  19 80  o 4.1520  1.4270 0.6109000E-01  2.853000  
1 1 1 6  19 81  o 3.9620  1.4070 0.7569000      2.814000  
1 1 1 6  20 0   o 34.310  1.0490 0.000000       0.000000  
1 1 1 6  20 1   o 57.310  0.8776 -3.494000      1.755000  
1 1 1 6  20 2   o 53.530  0.8210 1.593000       1.642000  
1 1 1 6  20 3   o 42.670  0.6192 -1.145000      1.238000  
1 1 1 6  20 4   o 25.660  0.5718 -0.1203000     1.144000  
1 1 1 6  20 5   o 44.090  0.6343 1.662000       1.269000  
1 1 1 6  20 6   o 42.140  0.6626 -2.717000      1.325000  
1 1 1 6  20 7   o 30.330  0.5582 -6.671000      1.116000  
1 1 1 6  20 8   o 46.670  0.6673 0.4730000E-01  1.335000  
1 1 1 6  20 9   o 35.380  0.6155 -0.7396000     1.231000  
1 1 1 6  20 10  o 21.070  0.4909 -1.566000      0.9818000 
1 1 1 6  20 11  o 27.610  0.4502 -0.2720000     0.9004000 
1 1 1 6  20 12  o 22.200  0.4197 0.2033000E-01  0.8393000 
1 1 1 6  20 13  f 20.650  0.4904 -2.872000      0.9809000 
1 1 1 6  20 14  o 17.480  0.4549 -1.100000      0.9098000 
1 1 1 6  20 15  o 16.800  0.4281 -0.3693000     0.8562000 
1 1 1 6  20 16  o 15.680  0.4898 -0.5481000     0.9797000 
1 1 1 6  20 17  o 23.290  0.4265 -0.6530000E-01 0.8530000 
1 1 1 6  20 18  o 12.050  0.6478 5.641000       1.296000  
1 1 1 6  20 19  o 11.350  0.5407 -1.699000      1.081000  
1 1 1 6  20 20  o 20.600  0.4715 -0.6191000E-01 0.9431000 
1 1 1 6  20 21  o 29.490  0.4816 -0.3860000     0.9633000 
1 1 1 6  20 22  f 12.220  0.8838 -4.674000      1.768000  
1 1 1 6  20 23  o 23.340  0.4486 0.4170000      0.8972000 
1 1 1 6  20 24  o 12.200  0.6600 -2.308000      1.320000  
1 1 1 6  20 25  o 13.440  0.5343 -0.4116000     1.069000  
1 1 1 6  20 26  o 19.640  0.4568 -0.4181000     0.9136000 
1 1 1 6  20 27  o 8.8580  0.7895 0.3360000      1.579000  
1 1 1 6  20 28  o 30.200  0.5044 0.4155000      1.009000  
1 1 1 6  20 29  o 4.0180  1.1810 -0.2541000     2.362000  
1 1 1 6  20 30  o 25.310  0.4756 -0.4561000     0.9512000 
1 1 1 6  20 31  o 26.540  0.5393 0.2174000      1.079000  
1 1 1 6  20 32  o 20.640  0.5318 -0.6019000     1.064000  
1 1 1 6  20 33  o 46.540  0.7453 -1.064000      1.491000  
1 1 1 6  20 34  o 34.340  0.7457 -7.681000      1.491000  
1 1 1 6  20 35  o 12.080  0.7274 -1.455000      1.455000  
1 1 1 6  20 36  o 6.9280  1.2940 1.333000       2.588000  
1 1 1 6  20 37  o 22.250  0.6068 0.7754000      1.214000  
1 1 1 6  20 38  o 7.1380  1.2540 2.930000       2.508000  
1 1 1 6  20 39  o 13.210  0.7685 -0.7015000     1.537000  
1 1 1 6  20 40  o 6.0320  1.3360 -1.061000      2.673000  
1 1 1 6  20 41  o 11.520  0.8719 0.4907000      1.744000  
1 1 1 6  20 42  o 17.070  0.6767 1.686000       1.353000  
1 1 1 6  20 43  o 15.000  0.7326 -0.2657000     1.465000  
1 1 1 6  20 44  o 7.8860  1.2440 0.1832000      2.488000  
1 1 1 6  20 45  o 5.5060  1.3370 -2.314000      2.673000  
1 1 1 6  20 46  o 16.980  0.6972 -1.330000      1.394000  
1 1 1 6  20 47  o 6.4440  1.3820 -1.020000      2.764000  
1 1 1 6  20 48  o 20.260  0.6639 -0.1804000     1.328000  
1 1 1 6  20 49  o 17.220  0.6993 0.3289000      1.399000  
1 1 1 6  20 50  o 5.1640  1.3950 0.3444000      2.790000  
1 1 1 6  20 51  o 13.560  0.8536 2.262000       1.707000  
1 1 1 6  20 52  o 5.3130  1.4360 1.161000       2.872000  
1 1 1 6  20 53  o 12.270  1.0220 1.835000       2.045000  
1 1 1 6  20 54  o 4.8160  1.3730 -1.492000      2.745000  
1 1 1 6  20 55  o 6.0840  1.4900 0.4839000      2.980000  
1 1 1 6  20 56  o 12.270  0.9811 -0.9639000     1.962000  
1 1 1 6  20 57  o 14.940  0.8794 -1.431000      1.759000  
1 1 1 6  20 58  o 5.2190  1.4580 -0.8767000     2.915000  
1 1 1 6  20 59  o 4.6900  1.4010 0.5851000      2.803000  
1 1 1 6  20 60  o 4.3040  1.3330 -0.2115000     2.665000  
1 1 1 6  20 61  o 4.4570  1.3670 -0.2373000     2.734000  
1 1 1 6  20 62  o 5.7600  1.5150 -0.7447000     3.031000  
1 1 1 6  20 63  o 6.2990  1.4010 -3.938000      2.802000  
1 1 1 6  20 64  o 4.7730  1.3850 -1.128000      2.770000  
1 1 1 6  20 65  o 7.6120  1.5200 -1.810000      3.041000  
1 1 1 6  20 66  o 4.5770  1.4030 -0.7869000     2.806000  
1 1 1 6  20 67  o 5.3600  1.4880 -0.1383000     2.977000  
1 1 1 6  20 68  o 3.6210  1.2040 0.7232000      2.408000  
1 1 1 6  20 69  o 4.5910  1.4860 0.1173000      2.972000  
1 1 1 6  20 70  o 4.0190  1.3700 0.5571000      2.741000  
1 1 1 6  20 71  o 4.7680  1.5340 0.4278000      3.069000  
1 1 1 6  20 72  o 4.3670  1.4580 1.137000       2.917000  
1 1 1 6  20 73  o 5.7650  1.6960 1.156000       3.393000  
1 1 1 6  20 74  o 3.7290  1.2910 0.7143000      2.581000  
1 1 1 6  20 75  o 3.6130  1.2590 0.7198000      2.518000  
1 1 1 6  20 76  o 3.7300  1.2580 -0.1786000     2.516000  
1 1 1 6  20 77  f 3.9180  1.2980 -0.9189000E-01 2.596000  
1 1 1 6  20 78  o 4.0610  1.4360 0.2926000      2.872000  
1 1 1 6  21 0   o 8.8890  0.9007 -0.000000      0.000000  
1 1 1 6  21 1   o 16.870  0.4624 1.329000       0.9247000 
1 1 1 6  21 2   o 20.410  0.4159 -2.194000      0.8318000 
1 1 1 6  21 3   o 21.130  0.4160 -1.680000      0.8319000 
1 1 1 6  21 4   o 13.690  0.5596 -0.3911000     1.119000  
1 1 1 6  21 5   o 30.200  0.4785 0.6443000      0.9570000 
1 1 1 6  21 6   o 15.420  0.5499 -6.053000      1.100000  
1 1 1 6  21 7   o 9.4530  0.6629 -1.204000      1.326000  
1 1 1 6  21 8   o 26.470  0.4462 -0.2760000E-01 0.8925000 
1 1 1 6  21 9   f 18.310  0.5023 3.661000       1.005000  
1 1 1 6  21 10  o 9.1120  0.7090 -1.966000      1.418000  
1 1 1 6  21 11  o 12.830  0.4988 -0.8083000     0.9976000 
1 1 1 6  21 12  o 11.970  0.5675 1.058000       1.135000  
1 1 1 6  21 13  o 20.420  0.4275 -0.5783000     0.8550000 
1 1 1 6  21 14  o 17.370  0.5493 3.496000       1.099000  
1 1 1 6  21 15  o 21.910  0.4292 -0.5622000E-01 0.8585000 
1 1 1 6  21 16  o 8.8110  0.8422 0.8525000      1.684000  
1 1 1 6  21 17  o 20.510  0.4343 -0.5453000     0.8686000 
1 1 1 6  21 18  o 15.080  0.4814 0.2669000      0.9627000 
1 1 1 6  21 19  o 18.600  0.4464 0.4544000      0.8928000 
1 1 1 6  21 20  o 27.580  0.4718 0.5371000      0.9436000 
1 1 1 6  21 21  o 13.330  0.7298 -1.839000      1.460000  
1 1 1 6  21 22  o 24.590  0.4632 -0.7411000     0.9264000 
1 1 1 6  21 23  f 15.750  0.5840 -1.820000      1.168000  
1 1 1 6  21 24  o 22.060  0.4649 0.2883000      0.9297000 
1 1 1 6  21 25  o 22.770  0.4633 -0.2396000     0.9266000 
1 1 1 6  21 26  f 19.680  0.4723 -0.1463000     0.9447000 
1 1 1 6  21 27  o 14.010  0.5598 -0.9888000     1.120000  
1 1 1 6  21 28  o 4.7810  1.1550 -1.444000      2.309000  
1 1 1 6  21 29  o 17.310  0.4986 0.3164000      0.9972000 
1 1 1 6  21 30  o 12.380  0.6282 -2.150000      1.256000  
1 1 1 6  21 31  o 7.2470  1.0200 1.622000       2.040000  
1 1 1 6  21 32  o 14.190  0.6295 0.9178000E-01  1.259000  
1 1 1 6  21 33  o 20.170  0.5379 -0.1791000     1.076000  
1 1 1 6  21 34  o 4.9110  1.2080 1.186000       2.416000  
1 1 1 6  21 35  f 12.010  0.7535 -0.2612000     1.507000  
1 1 1 6  21 36  o 15.580  0.6020 -0.7943000     1.204000  
1 1 1 6  21 37  o 22.540  0.6033 0.4655000      1.207000  
1 1 1 6  21 38  o 5.2870  1.3520 0.1861000      2.705000  
1 1 1 6  21 39  o 8.8330  1.0930 -0.1960000     2.187000  
1 1 1 6  21 40  o 18.390  0.6484 -0.2952000     1.297000  
1 1 1 6  21 41  o 28.020  0.6200 -0.3738000     1.240000  
1 1 1 6  21 42  o 8.2840  1.2010 1.893000       2.402000  
1 1 1 6  21 43  o 17.060  0.6802 0.9293000      1.360000  
1 1 1 6  21 44  o 4.3350  1.2870 0.2408000E-03  2.574000  
1 1 1 6  21 45  o 14.540  0.7857 -2.937000      1.571000  
1 1 1 6  21 46  o 19.990  0.6572 1.177000       1.314000  
1 1 1 6  21 47  o 13.070  0.8833 -2.815000      1.767000  
1 1 1 6  21 48  o 6.4210  1.4510 0.3988000      2.902000  
1 1 1 6  21 49  o 21.630  0.6794 -0.3357000     1.359000  
1 1 1 6  21 50  o 14.120  0.8448 -0.4244000E-01 1.690000  
1 1 1 6  21 51  o 12.640  0.9490 -3.069000      1.898000  
1 1 1 6  21 52  o 13.920  0.8643 1.694000       1.729000  
1 1 1 6  21 53  o 9.9850  1.1630 0.4464000      2.327000  
1 1 1 6  21 54  o 6.6820  1.4270 0.9943000E-02  2.853000  
1 1 1 6  21 55  o 7.0660  1.4130 -2.001000      2.826000  
1 1 1 6  21 56  o 4.7520  1.3890 -0.7747000E-01 2.778000  
1 1 1 6  21 57  o 6.4100  1.5230 0.3929000      3.046000  
1 1 1 6  21 58  o 15.790  0.8574 0.4475000      1.715000  
1 1 1 6  21 59  o 3.9260  1.2520 -0.8606000     2.504000  
1 1 1 6  21 60  o 4.2790  1.3240 0.2125000      2.649000  
1 1 1 6  21 61  o 4.1990  1.3180 -0.7715000     2.636000  
1 1 1 6  21 62  o 6.8870  1.5110 -1.346000      3.021000  
1 1 1 6  21 63  f 4.2530  1.3150 1.024000       2.631000  
1 1 1 6  21 64  o 4.5850  1.3840 1.129000       2.768000  
1 1 1 6  21 65  o 4.6740  1.4010 1.080000       2.802000  
1 1 1 6  21 66  o 3.6430  1.1970 -0.3540000     2.394000  
1 1 1 6  21 67  o 4.5170  1.3870 0.5355000      2.773000  
1 1 1 6  21 68  o 3.3870  1.1550 0.3883000      2.310000  
1 1 1 6  21 69  o 5.3730  1.4610 1.194000       2.921000  
1 1 1 6  21 70  o 4.0750  1.2990 1.327000       2.598000  
1 1 1 6  21 71  o 4.6880  1.3940 -0.8882000     2.788000  
1 1 1 6  21 72  o 3.9910  1.2760 1.299000       2.553000  
1 1 1 6  21 73  o 4.9490  1.3650 2.383000       2.731000  
1 1 1 6  21 74  o 4.1560  1.3580 0.8565000      2.715000  
1 1 1 6  21 75  o 3.2850  1.1380 -0.1140000     2.277000  
1 1 1 6  21 76  f 4.4840  1.5610 -0.9640000E-01 3.122000  
1 1 1 6  22 0   o 14.970  0.6571 0.000000       0.000000  
1 1 1 6  22 1   o 16.030  0.6343 9.572000       1.269000  
1 1 1 6  22 2   o 38.030  0.5701 -1.561000      1.140000  
1 1 1 6  22 3   f 37.330  0.5628 0.1859000      1.126000  
1 1 1 6  22 4   o 24.980  0.6012 -10.07000      1.202000  
1 1 1 6  22 5   o 30.450  0.4894 0.7357000      0.9788000 
1 1 1 6  22 6   o 21.020  0.5162 -0.2858000     1.032000  
1 1 1 6  22 7   o 33.570  0.5198 0.4002000      1.040000  
1 1 1 6  22 8   o 36.360  0.5979 -0.2368000     1.196000  
1 1 1 6  22 9   f 39.240  0.5856 0.3121000      1.171000  
1 1 1 6  22 10  o 29.380  0.6971 -0.3423000     1.394000  
1 1 1 6  22 11  o 43.800  0.6410 0.9756000      1.282000  
1 1 1 6  22 12  o 18.500  0.6824 2.763000       1.365000  
1 1 1 6  22 13  o 15.030  0.4717 0.1560000      0.9433000 
1 1 1 6  22 14  o 12.980  0.5388 -1.717000      1.078000  
1 1 1 6  22 15  o 11.790  0.5472 -1.286000      1.094000  
1 1 1 6  22 16  o 28.770  0.4885 -0.3942000     0.9769000 
1 1 1 6  22 17  o 39.480  0.5936 0.1789000E-01  1.187000  
1 1 1 6  22 18  o 20.410  0.5632 -7.801000      1.126000  
1 1 1 6  22 19  o 10.980  0.8321 -5.706000      1.664000  
1 1 1 6  22 20  o 30.760  0.5028 -0.5712000     1.006000  
1 1 1 6  22 21  o 22.510  0.5053 0.4457000      1.011000  
1 1 1 6  22 22  o 12.540  0.6578 -1.553000      1.316000  
1 1 1 6  22 23  o 25.270  0.4703 0.1283000      0.9405000 
1 1 1 6  22 24  o 26.560  0.4844 -0.5562000E-01 0.9688000 
1 1 1 6  22 25  o 8.9530  0.9590 2.715000       1.918000  
1 1 1 6  22 26  o 15.190  0.5361 -0.4396000     1.072000  
1 1 1 6  22 27  o 7.2750  0.9889 -1.903000      1.978000  
1 1 1 6  22 28  o 21.590  0.4723 0.2808000      0.9447000 
1 1 1 6  22 29  o 13.100  0.6081 -0.4850000     1.216000  
1 1 1 6  22 30  o 5.6990  1.1490 1.408000       2.297000  
1 1 1 6  22 31  o 5.3550  1.1820 1.134000       2.365000  
1 1 1 6  22 32  o 14.850  0.5482 -0.3697000     1.096000  
1 1 1 6  22 33  o 15.680  0.5968 -0.9809000     1.194000  
1 1 1 6  22 34  o 26.230  0.5476 0.1022000      1.095000  
1 1 1 6  22 35  o 11.450  0.9399 0.9318000      1.880000  
1 1 1 6  22 36  o 20.230  0.5624 -0.1458000     1.125000  
1 1 1 6  22 37  o 11.330  0.7828 -1.487000      1.566000  
1 1 1 6  22 38  o 9.2820  1.0700 1.238000       2.140000  
1 1 1 6  22 39  o 5.5270  1.3490 -1.544000      2.698000  
1 1 1 6  22 40  o 12.460  0.8486 0.4430000      1.697000  
1 1 1 6  22 41  o 13.890  0.7618 -1.227000      1.524000  
1 1 1 6  22 42  o 5.4710  1.3190 -2.067000      2.638000  
1 1 1 6  22 43  o 11.990  0.8649 -1.692000      1.730000  
1 1 1 6  22 44  o 7.2230  1.3070 2.255000       2.614000  
1 1 1 6  22 45  o 5.0560  1.3690 -0.6624000     2.738000  
1 1 1 6  22 46  o 19.910  0.6697 -0.8528000     1.339000  
1 1 1 6  22 47  o 4.8270  1.3620 1.153000       2.723000  
1 1 1 6  22 48  o 9.9780  1.1400 1.187000       2.280000  
1 1 1 6  22 49  o 5.3140  1.4270 -0.5100000     2.855000  
1 1 1 6  22 50  o 4.5000  1.3520 0.9569000      2.704000  
1 1 1 6  22 51  o 13.060  0.9198 -1.246000      1.840000  
1 1 1 6  22 52  o 6.4710  1.4680 0.4734000      2.936000  
1 1 1 6  22 53  o 6.4250  1.4270 -2.048000      2.853000  
1 1 1 6  22 54  o 10.900  1.0720 -2.830000      2.144000  
1 1 1 6  22 55  o 6.0140  1.4520 -1.872000      2.904000  
1 1 1 6  22 56  o 5.6730  1.5010 -1.419000      3.002000  
1 1 1 6  22 57  o 5.3100  1.4690 0.1209000E-01  2.938000  
1 1 1 6  22 58  o 7.5510  1.4420 2.790000       2.884000  
1 1 1 6  22 59  o 3.8690  1.2550 0.1493000      2.510000  
1 1 1 6  22 60  o 4.0300  1.2880 0.9515000      2.577000  
1 1 1 6  22 61  o 4.6080  1.3890 -0.4748000     2.778000  
1 1 1 6  22 62  o 5.7400  1.4630 1.945000       2.926000  
1 1 1 6  22 63  f 5.4110  1.4580 -0.4974000     2.915000  
1 1 1 6  22 64  o 3.7670  1.2390 0.6026000      2.478000  
1 1 1 6  22 65  o 4.3800  1.3300 1.534000       2.661000  
1 1 1 6  22 66  f 4.8320  1.3290 -2.968000      2.657000  
1 1 1 6  22 67  f 4.8910  1.4020 1.997000       2.805000  
1 1 1 6  22 68  f 3.8760  1.2540 -0.9097000     2.509000  
1 1 1 6  22 69  o 6.0330  1.4820 0.7391000      2.964000  
1 1 1 6  22 70  o 3.8750  1.2300 -1.676000      2.460000  
1 1 1 6  22 71  o 3.7800  1.2140 1.135000       2.427000  
1 1 1 6  22 72  f 5.2270  1.4390 0.6437000      2.879000  
1 1 1 6  22 73  o 4.8050  1.6330 0.6395000      3.267000  
1 1 1 6  23 0   o 12.980  1.1480 0.000000       0.000000  
1 1 1 6  23 1   o 27.730  0.4662 -0.2902000     0.9324000 
1 1 1 6  23 2   o 25.110  0.4949 0.8445000      0.9898000 
1 1 1 6  23 3   o 17.570  0.4489 0.1126000      0.8978000 
1 1 1 6  23 4   o 21.310  0.4451 -0.3093000     0.8903000 
1 1 1 6  23 5   o 15.590  0.4787 0.3567000      0.9574000 
1 1 1 6  23 6   f 20.120  0.5284 -1.984000      1.057000  
1 1 1 6  23 7   o 32.530  0.5153 1.683000       1.031000  
1 1 1 6  23 8   o 39.520  0.5931 -2.329000      1.186000  
1 1 1 6  23 9   o 37.150  0.5673 1.864000       1.135000  
1 1 1 6  23 10  o 17.760  0.5496 -1.553000      1.099000  
1 1 1 6  23 11  o 14.700  0.5405 -1.736000      1.081000  
1 1 1 6  23 12  f 14.050  0.5120 -0.7807000     1.024000  
1 1 1 6  23 13  o 10.730  0.6341 -0.7737000     1.268000  
1 1 1 6  23 14  f 18.990  0.4517 0.5769000      0.9035000 
1 1 1 6  23 15  o 20.460  0.4457 -0.4613000     0.8914000 
1 1 1 6  23 16  o 13.400  0.5803 2.840000       1.161000  
1 1 1 6  23 17  o 4.5930  0.9891 -3.504000      1.978000  
1 1 1 6  23 18  o 4.7540  1.1190 -0.6107000E-01 2.237000  
1 1 1 6  23 19  o 16.250  0.5001 -0.2328000     1.000000  
1 1 1 6  23 20  o 17.420  0.4877 -0.5702000     0.9753000 
1 1 1 6  23 21  o 9.6030  0.7705 0.6323000      1.541000  
1 1 1 6  23 22  f 8.5460  0.8272 -1.489000      1.654000  
1 1 1 6  23 23  o 19.570  0.4797 1.103000       0.9595000 
1 1 1 6  23 24  o 34.450  0.5494 -0.5314000     1.099000  
1 1 1 6  23 25  o 16.680  0.5569 -0.9393000     1.114000  
1 1 1 6  23 26  o 11.700  0.6532 -0.3705000     1.306000  
1 1 1 6  23 27  o 21.040  0.4804 -0.6297000     0.9608000 
1 1 1 6  23 28  o 9.8110  0.7259 -0.8029000E-01 1.452000  
1 1 1 6  23 29  o 5.8260  1.1570 0.6185000E-01  2.314000  
1 1 1 6  23 30  f 8.8020  0.8533 0.5520000      1.707000  
1 1 1 6  23 31  o 10.740  0.6876 0.2448000      1.375000  
1 1 1 6  23 32  o 19.370  0.5072 -1.124000      1.014000  
1 1 1 6  23 33  o 6.9680  1.0970 -2.681000      2.194000  
1 1 1 6  23 34  o 11.590  0.7513 0.2091000      1.503000  
1 1 1 6  23 35  o 9.1690  0.9342 0.2792000      1.868000  
1 1 1 6  23 36  o 4.2490  1.1870 0.5064000      2.374000  
1 1 1 6  23 37  o 5.0540  1.2520 -0.3900000     2.504000  
1 1 1 6  23 38  o 10.360  0.8388 0.2246000      1.678000  
1 1 1 6  23 39  o 14.090  0.7550 0.6471000      1.510000  
1 1 1 6  23 40  o 10.540  0.9646 -0.9936000     1.929000  
1 1 1 6  23 41  o 7.0010  1.2930 2.763000       2.586000  
1 1 1 6  23 42  o 14.140  0.7516 0.2981000      1.503000  
1 1 1 6  23 43  o 3.8440  1.2070 -0.9255000     2.415000  
1 1 1 6  23 44  o 18.900  0.6678 -0.5854000E-01 1.336000  
1 1 1 6  23 45  o 5.8310  1.4080 -0.6629000     2.815000  
1 1 1 6  23 46  f 6.2050  1.3860 -0.4616000     2.773000  
1 1 1 6  23 47  o 4.2030  1.2730 0.4262000      2.545000  
1 1 1 6  23 48  o 6.2560  1.4140 1.402000       2.829000  
1 1 1 6  23 49  o 13.500  0.8881 0.7935000      1.776000  
1 1 1 6  23 50  o 4.0930  1.2940 -0.3478000     2.589000  
1 1 1 6  23 51  o 14.900  0.8618 1.191000       1.724000  
1 1 1 6  23 52  o 6.9600  1.5160 0.2497000      3.031000  
1 1 1 6  23 53  o 6.7280  1.4770 0.1379000      2.954000  
1 1 1 6  23 54  o 4.3270  1.3260 0.3032000      2.652000  
1 1 1 6  23 55  o 10.240  1.1470 0.3878000      2.295000  
1 1 1 6  23 56  o 5.9320  1.4930 -0.3317000     2.986000  
1 1 1 6  23 57  o 6.8610  1.4150 -3.054000      2.830000  
1 1 1 6  23 58  o 5.2900  1.4410 -0.5693000E-01 2.882000  
1 1 1 6  23 59  o 3.8690  1.2440 -0.5304000     2.488000  
1 1 1 6  23 60  o 3.8180  1.2370 -0.7779000     2.474000  
1 1 1 6  23 61  o 4.0130  1.2790 0.3906000      2.558000  
1 1 1 6  23 62  o 3.7830  1.2240 -0.6999000E-01 2.448000  
1 1 1 6  23 63  o 4.2590  1.3170 0.7726000      2.635000  
1 1 1 6  23 64  o 4.1170  1.2820 2.063000       2.563000  
1 1 1 6  23 65  f 3.4880  1.1720 -0.5500000E-01 2.344000  
1 1 1 6  23 66  f 4.9760  1.4120 0.3300000      2.823000  
1 1 1 6  23 67  o 4.3740  1.3210 -1.175000      2.642000  
1 1 1 6  23 68  o 3.3670  1.1230 0.5869000      2.246000  
1 1 1 6  23 69  o 3.8220  1.2200 0.2254000      2.439000  
1 1 1 6  23 70  o 4.2830  1.4910 -0.6144000     2.983000  
1 1 1 6  24 0   o 47.110  0.9649 -0.000000      0.000000  
1 1 1 6  24 1   o 23.440  0.5376 -5.111000      1.075000  
1 1 1 6  24 2   o 22.540  0.4523 0.2539000      0.9045000 
1 1 1 6  24 3   f 10.840  0.6999 -1.234000      1.400000  
1 1 1 6  24 4   o 18.580  0.5014 -1.095000      1.003000  
1 1 1 6  24 5   o 29.340  0.4900 0.3708000      0.9799000 
1 1 1 6  24 6   o 21.050  0.5384 -5.761000      1.077000  
1 1 1 6  24 7   o 19.990  0.4533 0.5382000      0.9066000 
1 1 1 6  24 8   o 12.040  0.6732 4.448000       1.346000  
1 1 1 6  24 9   o 20.420  0.4516 -0.4499000     0.9031000 
1 1 1 6  24 10  o 11.470  0.5911 1.693000       1.182000  
1 1 1 6  24 11  o 11.270  0.6211 0.5161000      1.242000  
1 1 1 6  24 12  o 11.760  0.5798 0.6973000      1.160000  
1 1 1 6  24 13  o 16.500  0.5359 -3.169000      1.072000  
1 1 1 6  24 14  o 25.630  0.4681 -0.6529000     0.9363000 
1 1 1 6  24 15  o 12.770  0.7798 -5.926000      1.560000  
1 1 1 6  24 16  o 14.830  0.5228 -1.532000      1.046000  
1 1 1 6  24 17  o 13.030  0.5592 -0.1556000     1.118000  
1 1 1 6  24 18  o 21.520  0.4638 0.1284000      0.9276000 
1 1 1 6  24 19  o 16.890  0.5446 0.7662000      1.089000  
1 1 1 6  24 20  o 23.230  0.4685 0.3130000      0.9370000 
1 1 1 6  24 21  o 8.3560  1.0500 -3.481000      2.100000  
1 1 1 6  24 22  o 18.050  0.4819 0.7256000      0.9638000 
1 1 1 6  24 23  o 13.980  0.5451 0.2978000      1.090000  
1 1 1 6  24 24  f 9.2240  0.8096 1.698000       1.619000  
1 1 1 6  24 25  o 15.850  0.5255 -0.5909000     1.051000  
1 1 1 6  24 26  o 7.3740  0.9621 -1.712000      1.924000  
1 1 1 6  24 27  f 5.0550  1.1880 -0.6188000     2.375000  
1 1 1 6  24 28  o 12.600  0.6037 -0.7668000     1.207000  
1 1 1 6  24 29  o 8.8650  0.8642 -1.339000      1.728000  
1 1 1 6  24 30  o 17.030  0.5217 1.394000       1.043000  
1 1 1 6  24 31  o 14.360  0.5622 -1.615000      1.124000  
1 1 1 6  24 32  o 3.4430  1.0650 0.3473000      2.129000  
1 1 1 6  24 33  o 8.5820  0.8549 -1.750000      1.710000  
1 1 1 6  24 34  f 15.710  0.5558 -0.6246000     1.112000  
1 1 1 6  24 35  o 13.870  0.6604 -2.232000      1.321000  
1 1 1 6  24 36  o 12.580  0.7145 -0.3169000     1.429000  
1 1 1 6  24 37  o 10.650  0.8285 -1.570000      1.657000  
1 1 1 6  24 38  o 15.270  0.6605 1.497000       1.321000  
1 1 1 6  24 39  o 13.430  0.6907 -0.6198000     1.381000  
1 1 1 6  24 40  o 4.7290  1.2420 -2.603000      2.483000  
1 1 1 6  24 41  o 6.6000  1.3110 3.200000       2.622000  
1 1 1 6  24 42  f 6.9670  1.3790 -1.391000      2.759000  
1 1 1 6  24 43  o 7.3620  1.3550 -2.434000      2.709000  
1 1 1 6  24 44  o 4.1700  1.2710 0.6727000      2.543000  
1 1 1 6  24 45  o 6.1670  1.3900 1.629000       2.779000  
1 1 1 6  24 46  o 4.4660  1.3070 0.6900000E-01  2.615000  
1 1 1 6  24 47  o 4.5770  1.3100 1.370000       2.621000  
1 1 1 6  24 48  o 6.8610  1.3670 -1.625000      2.735000  
1 1 1 6  24 49  o 6.8790  1.4100 1.396000       2.820000  
1 1 1 6  24 50  o 6.0320  1.4180 -2.498000      2.835000  
1 1 1 6  24 51  o 5.7110  1.4450 -1.578000      2.891000  
1 1 1 6  24 52  o 3.7120  1.2110 -0.7788000     2.421000  
1 1 1 6  24 53  o 5.9650  1.4690 0.6912000      2.937000  
1 1 1 6  24 54  o 6.6410  1.4630 -1.196000      2.926000  
1 1 1 6  24 55  o 5.1830  1.4390 -0.1267000     2.877000  
1 1 1 6  24 56  o 4.5120  1.3630 -0.5664000     2.726000  
1 1 1 6  24 57  o 4.5610  1.3540 -1.421000      2.708000  
1 1 1 6  24 58  o 5.3620  1.4280 1.231000       2.857000  
1 1 1 6  24 59  o 4.6000  1.3690 -0.2586000E-01 2.739000  
1 1 1 6  24 60  o 3.7840  1.2250 -0.5635000     2.449000  
1 1 1 6  24 61  o 4.7530  1.3910 0.2128000      2.782000  
1 1 1 6  24 62  o 4.1020  1.2830 0.5028000      2.566000  
1 1 1 6  24 63  o 4.0460  1.2710 -0.6805000     2.541000  
1 1 1 6  24 64  o 3.0670  1.0580 -0.5500000     2.115000  
1 1 1 6  24 65  o 4.0520  1.2740 -0.6683000E-01 2.548000  
1 1 1 6  24 66  o 3.5120  1.1600 -0.3164000E-01 2.319000  
1 1 1 6  24 67  o 3.6760  1.8590 ?              ?         
1 1 1 6  25 0   o 16.970  0.6746 0.000000       0.000000  
1 1 1 6  25 1   o 15.830  0.4837 -0.4668000     0.9675000 
1 1 1 6  25 2   o 19.140  0.6389 4.485000       1.278000  
1 1 1 6  25 3   o 26.810  0.4750 0.4799000      0.9500000 
1 1 1 6  25 4   o 19.500  0.5015 -0.8793000E-01 1.003000  
1 1 1 6  25 5   o 16.470  0.4829 1.103000       0.9658000 
1 1 1 6  25 6   o 18.200  0.5521 2.092000       1.104000  
1 1 1 6  25 7   o 27.410  0.4794 0.6127000      0.9587000 
1 1 1 6  25 8   o 25.550  0.4721 1.168000       0.9443000 
1 1 1 6  25 9   o 17.610  0.5238 -3.490000      1.048000  
1 1 1 6  25 10  o 14.900  0.5070 -2.747000      1.014000  
1 1 1 6  25 11  o 13.510  0.5465 1.026000       1.093000  
1 1 1 6  25 12  o 19.090  0.4741 -0.1059000     0.9481000 
1 1 1 6  25 13  o 7.8490  1.1870 -0.9258000     2.374000  
1 1 1 6  25 14  o 13.050  0.5611 -0.8467000     1.122000  
1 1 1 6  25 15  o 12.860  0.5750 -1.498000      1.150000  
1 1 1 6  25 16  o 19.780  0.4643 0.1230000      0.9285000 
1 1 1 6  25 17  o 11.110  0.7463 -3.700000      1.493000  
1 1 1 6  25 18  o 8.9140  0.8107 -2.114000      1.621000  
1 1 1 6  25 19  o 7.7950  0.8884 0.5253000      1.777000  
1 1 1 6  25 20  o 13.250  0.5633 -1.360000      1.127000  
1 1 1 6  25 21  o 7.9280  0.8947 -0.4360000     1.789000  
1 1 1 6  25 22  o 12.050  0.5968 -0.4640000     1.194000  
1 1 1 6  25 23  o 12.750  0.6076 -1.098000      1.215000  
1 1 1 6  25 24  o 4.8640  1.1560 0.1675000E-01  2.312000  
1 1 1 6  25 25  o 7.6120  0.9402 0.6972000      1.880000  
1 1 1 6  25 26  f 4.3620  1.1630 -0.3307000     2.326000  
1 1 1 6  25 27  f 5.1600  1.1760 0.2584000      2.352000  
1 1 1 6  25 28  f 10.590  0.6944 1.091000       1.389000  
1 1 1 6  25 29  o 7.1280  1.0110 0.7574000      2.021000  
1 1 1 6  25 30  o 14.370  0.5639 0.7221000      1.128000  
1 1 1 6  25 31  f 6.6170  1.0690 -1.515000      2.138000  
1 1 1 6  25 32  f 12.820  0.6318 0.2481000      1.264000  
1 1 1 6  25 33  f 11.440  0.6785 -0.4691000     1.357000  
1 1 1 6  25 34  o 4.5320  1.1360 2.620000       2.272000  
1 1 1 6  25 35  o 6.9060  1.0720 -0.2546000     2.144000  
1 1 1 6  25 36  o 6.3830  1.2450 0.6671000      2.490000  
1 1 1 6  25 37  f 9.0980  0.9326 -0.1533000     1.865000  
1 1 1 6  25 38  o 6.0990  1.2560 1.095000       2.512000  
1 1 1 6  25 39  o 10.130  0.8776 -0.5885000     1.755000  
1 1 1 6  25 40  o 7.1970  1.1870 0.8049000      2.373000  
1 1 1 6  25 41  o 7.3100  1.3130 -0.5411000     2.626000  
1 1 1 6  25 42  o 9.0690  1.1420 0.4277000      2.283000  
1 1 1 6  25 43  o 9.2870  1.1050 -1.240000      2.210000  
1 1 1 6  25 44  o 3.7870  1.1920 -1.151000      2.383000  
1 1 1 6  25 45  o 3.9480  1.2450 -0.4607000     2.490000  
1 1 1 6  25 46  o 7.0960  1.3320 3.939000       2.664000  
1 1 1 6  25 47  o 4.0210  1.2210 -2.272000      2.442000  
1 1 1 6  25 48  o 4.3410  1.3100 0.9074000E-03  2.621000  
1 1 1 6  25 49  o 4.1360  1.2730 -0.9801000     2.546000  
1 1 1 6  25 50  o 3.9710  1.2450 0.6526000      2.490000  
1 1 1 6  25 51  o 4.7460  1.3480 1.380000       2.696000  
1 1 1 6  25 52  o 4.0670  1.2820 0.4635000      2.563000  
1 1 1 6  25 53  o 4.5760  1.3690 0.2754000      2.738000  
1 1 1 6  25 54  o 6.2790  1.4880 0.2367000E-01  2.976000  
1 1 1 6  25 55  o 5.2710  1.4280 -1.122000      2.857000  
1 1 1 6  25 56  o 4.1700  1.3010 -0.8396000     2.601000  
1 1 1 6  25 57  o 3.6420  1.2090 -0.2518000     2.418000  
1 1 1 6  25 58  o 4.7790  1.3880 1.490000       2.775000  
1 1 1 6  25 59  o 4.0010  1.2730 0.1093000      2.545000  
1 1 1 6  25 60  o 3.9680  1.2610 -0.6426000     2.521000  
1 1 1 6  25 61  o 5.3930  1.3770 -1.417000      2.753000  
1 1 1 6  25 62  o 3.3900  1.1270 0.9463000E-01  2.254000  
1 1 1 6  25 63  o 4.2590  2.1010 ?              ?         
1 1 1 6  26 0   o 10.400  0.9525 0.000000       0.000000  
1 1 1 6  26 1   o 11.660  0.5934 -1.444000      1.187000  
1 1 1 6  26 2   o 14.280  0.5179 0.5108000      1.036000  
1 1 1 6  26 3   o 13.860  0.5309 -0.4211000     1.062000  
1 1 1 6  26 4   f 10.650  0.6524 -0.9599000     1.305000  
1 1 1 6  26 5   o 4.1430  1.1140 0.3024000      2.229000  
1 1 1 6  26 6   f 6.2920  0.9951 -4.241000      1.990000  
1 1 1 6  26 7   o 7.1220  0.9474 -0.1452000     1.895000  
1 1 1 6  26 8   o 14.930  0.5659 3.081000       1.132000  
1 1 1 6  26 9   o 23.170  0.4681 -0.7847000     0.9363000 
1 1 1 6  26 10  o 13.120  0.6824 2.526000       1.365000  
1 1 1 6  26 11  o 15.370  0.5683 -2.157000      1.137000  
1 1 1 6  26 12  o 23.210  0.4711 -0.1564000     0.9423000 
1 1 1 6  26 13  o 18.490  0.5146 -2.327000      1.029000  
1 1 1 6  26 14  o 9.0860  0.7844 -0.8195000     1.569000  
1 1 1 6  26 15  o 6.8210  0.9965 0.4635000      1.993000  
1 1 1 6  26 16  f 7.0920  0.9783 0.8124000      1.957000  
1 1 1 6  26 17  o 7.8390  0.8551 0.9493000E-01  1.710000  
1 1 1 6  26 18  o 11.350  0.6459 -1.739000      1.292000  
1 1 1 6  26 19  o 13.520  0.5650 -0.8709000     1.130000  
1 1 1 6  26 20  o 8.0060  0.8892 0.1446000      1.778000  
1 1 1 6  26 21  o 5.9630  1.0660 1.256000       2.133000  
1 1 1 6  26 22  o 8.8360  0.8217 0.1012000      1.643000  
1 1 1 6  26 23  o 8.7450  0.8133 -0.3153000     1.627000  
1 1 1 6  26 24  o 8.9430  0.8270 1.694000       1.654000  
1 1 1 6  26 25  f 5.5530  1.1590 1.186000       2.318000  
1 1 1 6  26 26  o 7.4690  1.0260 -0.7743000     2.053000  
1 1 1 6  26 27  o 5.7150  1.1300 -0.7897000     2.259000  
1 1 1 6  26 28  o 10.500  0.7100 -0.6851000     1.420000  
1 1 1 6  26 29  o 9.4980  0.7927 0.7583000      1.585000  
1 1 1 6  26 30  o 12.080  0.6527 -0.4337000     1.305000  
1 1 1 6  26 31  o 14.060  0.5708 -0.2404000     1.142000  
1 1 1 6  26 32  o 6.1450  1.1540 -1.422000      2.309000  
1 1 1 6  26 33  f 5.2640  1.2050 -0.6386000     2.409000  
1 1 1 6  26 34  o 4.8670  1.2000 -1.208000      2.399000  
1 1 1 6  26 35  o 12.730  0.6318 0.4351000      1.264000  
1 1 1 6  26 36  o 10.310  0.7820 0.8484000E-01  1.564000  
1 1 1 6  26 37  o 4.5540  1.2540 0.1401000      2.509000  
1 1 1 6  26 38  o 10.980  0.8506 1.140000       1.701000  
1 1 1 6  26 39  o 5.6160  1.2720 -2.308000      2.544000  
1 1 1 6  26 40  o 15.420  0.6459 -0.5926000     1.292000  
1 1 1 6  26 41  o 5.9640  1.3260 -0.5201000     2.651000  
1 1 1 6  26 42  o 3.5820  1.1700 -0.4735000E-01 2.339000  
1 1 1 6  26 43  o 6.8300  1.3640 -1.247000      2.728000  
1 1 1 6  26 44  f 3.7210  1.1940 0.9776000E-01  2.388000  
1 1 1 6  26 45  o 4.8940  1.3740 -1.219000      2.747000  
1 1 1 6  26 46  o 3.8910  1.2410 -0.2359000     2.482000  
1 1 1 6  26 47  o 6.2950  1.4520 0.3481000      2.904000  
1 1 1 6  26 48  o 4.2420  1.2780 -1.827000      2.556000  
1 1 1 6  26 49  o 3.8620  1.2350 -0.1049000     2.470000  
1 1 1 6  26 50  o 7.1480  1.4110 0.5994000      2.821000  
1 1 1 6  26 51  o 6.0500  1.4280 0.6892000      2.856000  
1 1 1 6  26 52  o 4.7750  1.3150 2.049000       2.631000  
1 1 1 6  26 53  o 4.8530  1.3700 1.046000       2.740000  
1 1 1 6  26 54  o 3.8650  1.2400 0.4405000      2.479000  
1 1 1 6  26 55  o 4.3900  1.3120 -1.334000      2.625000  
1 1 1 6  26 56  o 4.0820  1.2710 -0.5562000E-01 2.542000  
1 1 1 6  26 57  o 3.4070  1.1320 0.7911000E-01  2.263000  
1 1 1 6  26 58  o 3.2220  1.0940 -0.9980000E-01 2.188000  
1 1 1 6  26 59  o 4.5230  2.0640 ?              ?         
1 1 1 6  27 0   o 15.530  0.7334 0.000000       0.000000  
1 1 1 6  27 1   o 6.3960  1.0480 -3.829000      2.096000  
1 1 1 6  27 2   o 6.8690  1.0260 -2.405000      2.052000  
1 1 1 6  27 3   o 10.420  0.6895 -1.617000      1.379000  
1 1 1 6  27 4   o 9.6490  0.7282 -2.898000      1.456000  
1 1 1 6  27 5   o 10.400  0.6961 -1.455000      1.392000  
1 1 1 6  27 6   o 9.2220  0.7563 0.1264000      1.513000  
1 1 1 6  27 7   o 11.720  0.6230 0.4654000      1.246000  
1 1 1 6  27 8   o 16.890  0.4914 -0.5201000     0.9829000 
1 1 1 6  27 9   o 10.360  0.7599 1.411000       1.520000  
1 1 1 6  27 10  o 11.440  0.6356 -1.886000      1.271000  
1 1 1 6  27 11  o 14.990  0.5322 0.3453000      1.064000  
1 1 1 6  27 12  f 11.060  0.6539 -2.999000      1.308000  
1 1 1 6  27 13  o 6.8520  0.9780 -3.774000      1.956000  
1 1 1 6  27 14  o 10.070  0.7011 1.607000       1.402000  
1 1 1 6  27 15  o 5.8470  1.0740 1.052000       2.148000  
1 1 1 6  27 16  o 9.7120  0.7426 -1.060000      1.485000  
1 1 1 6  27 17  o 7.3780  0.9706 -2.813000      1.941000  
1 1 1 6  27 18  o 7.0010  0.9952 0.3202000      1.990000  
1 1 1 6  27 19  o 8.3910  0.8347 -0.4009000     1.669000  
1 1 1 6  27 20  o 7.0730  1.0350 -0.6113000     2.071000  
1 1 1 6  27 21  o 4.4210  1.1410 -0.6969000     2.282000  
1 1 1 6  27 22  o 6.0210  1.1200 0.4105000      2.239000  
1 1 1 6  27 23  o 4.3910  1.1460 -0.2761000     2.292000  
1 1 1 6  27 24  o 4.2370  1.1630 0.7266000      2.326000  
1 1 1 6  27 25  o 5.0600  1.1510 -1.454000      2.301000  
1 1 1 6  27 26  o 9.9380  0.7471 -0.2093000     1.494000  
1 1 1 6  27 27  o 4.6590  1.1920 -0.3052000E-02 2.383000  
1 1 1 6  27 28  o 5.3660  1.1980 -0.2727000E-01 2.397000  
1 1 1 6  27 29  o 8.1110  0.9507 0.4273000      1.901000  
1 1 1 6  27 30  o 4.7780  1.1780 1.076000       2.356000  
1 1 1 6  27 31  o 15.570  0.5713 -0.1770000     1.143000  
1 1 1 6  27 32  o 19.820  0.5183 -1.393000      1.037000  
1 1 1 6  27 33  o 8.3690  1.0070 -4.126000      2.013000  
1 1 1 6  27 34  o 5.0610  1.2370 0.5519000      2.475000  
1 1 1 6  27 35  o 3.1460  1.0200 -0.3688000E-01 2.041000  
1 1 1 6  27 36  o 10.850  0.7627 1.123000       1.525000  
1 1 1 6  27 37  o 12.040  0.6862 0.4368000      1.372000  
1 1 1 6  27 38  o 5.8650  1.2840 0.8363000      2.567000  
1 1 1 6  27 39  o 3.5360  1.1270 -1.537000      2.254000  
1 1 1 6  27 40  o 4.0350  1.2070 -1.389000      2.415000  
1 1 1 6  27 41  o 4.4930  1.2480 0.1773000      2.497000  
1 1 1 6  27 42  o 7.0500  1.2080 1.265000       2.415000  
1 1 1 6  27 43  o 5.8380  1.3880 1.097000       2.775000  
1 1 1 6  27 44  o 2.8040  0.9773 -0.4574000     1.955000  
1 1 1 6  27 45  o 5.2200  1.3940 0.2371000      2.787000  
1 1 1 6  27 46  o 5.2290  1.3920 -0.5440000     2.785000  
1 1 1 6  27 47  o 5.9930  1.3360 -3.241000      2.672000  
1 1 1 6  27 48  o 4.4940  1.3070 1.167000       2.614000  
1 1 1 6  27 49  o 6.7460  1.4170 -0.3468000     2.833000  
1 1 1 6  27 50  f 3.5270  1.1630 -0.2579000     2.327000  
1 1 1 6  27 51  o 3.5230  1.1620 -0.4137000     2.325000  
1 1 1 6  27 52  o 8.4160  1.2760 2.048000       2.552000  
1 1 1 6  27 53  o 4.2520  1.2810 -1.392000      2.562000  
1 1 1 6  27 54  o 3.7200  1.2390 0.3758000      2.479000  
1 1 1 6  27 55  o 3.9300  1.9670 ?              ?         
1 1 1 6  28 0   o 9.0760  1.1400 -0.000000      0.000000  
1 1 1 6  28 1   o 10.460  0.6846 1.407000       1.369000  
1 1 1 6  28 2   o 15.370  0.5100 0.8632000      1.020000  
1 1 1 6  28 3   o 10.850  0.6558 2.198000       1.312000  
1 1 1 6  28 4   o 13.060  0.5696 -0.4866000     1.139000  
1 1 1 6  28 5   o 14.770  0.5502 -0.7672000E-01 1.100000  
1 1 1 6  28 6   o 12.830  0.5661 0.3679000      1.132000  
1 1 1 6  28 7   o 5.9510  1.0430 -1.771000      2.086000  
1 1 1 6  28 8   o 5.6570  1.1120 -1.915000      2.224000  
1 1 1 6  28 9   o 4.7780  1.0920 -2.549000      2.184000  
1 1 1 6  28 10  o 8.0920  0.8787 0.3909000      1.757000  
1 1 1 6  28 11  o 15.520  0.5254 0.9834000E-02  1.051000  
1 1 1 6  28 12  o 12.180  0.6102 -1.972000      1.220000  
1 1 1 6  28 13  o 10.030  0.7359 0.4040000      1.472000  
1 1 1 6  28 14  o 9.4520  0.7531 -0.6208000     1.506000  
1 1 1 6  28 15  o 9.4570  0.7973 1.749000       1.595000  
1 1 1 6  28 16  o 9.4890  0.7913 -1.532000      1.583000  
1 1 1 6  28 17  o 6.9370  1.0250 -3.257000      2.050000  
1 1 1 6  28 18  o 5.2490  1.1750 -0.6113000     2.349000  
1 1 1 6  28 19  o 6.8020  1.0290 -1.894000      2.059000  
1 1 1 6  28 20  o 11.130  0.6846 1.590000       1.369000  
1 1 1 6  28 21  o 9.5210  0.7696 0.7683000      1.539000  
1 1 1 6  28 22  o 5.8520  1.1640 -0.3562000     2.329000  
1 1 1 6  28 23  f 5.0630  1.2090 -0.1796000E-01 2.418000  
1 1 1 6  28 24  o 4.4590  1.1710 -0.5433000     2.343000  
1 1 1 6  28 25  o 10.770  0.7407 -0.9524000     1.481000  
1 1 1 6  28 26  o 4.5490  1.1910 -0.4865000     2.382000  
1 1 1 6  28 27  o 7.4350  1.0650 -1.152000      2.129000  
1 1 1 6  28 28  o 12.760  0.6544 -1.006000      1.309000  
1 1 1 6  28 29  o 8.1170  0.9476 -1.417000      1.895000  
1 1 1 6  28 30  o 4.6610  1.1950 -0.8513000     2.390000  
1 1 1 6  28 31  o 7.9940  0.9794 0.7571000      1.959000  
1 1 1 6  28 32  f 3.2380  1.0400 -1.014000      2.081000  
1 1 1 6  28 33  o 16.820  0.5618 -0.1197000     1.124000  
1 1 1 6  28 34  o 9.3980  0.8264 0.5550000      1.653000  
1 1 1 6  28 35  o 6.4280  1.1480 -1.419000      2.297000  
1 1 1 6  28 36  o 6.2740  1.1800 1.014000       2.360000  
1 1 1 6  28 37  f 3.7100  1.1110 -0.9648000     2.223000  
1 1 1 6  28 38  o 6.3940  1.1860 0.2415000E-01  2.372000  
1 1 1 6  28 39  o 4.0460  1.2150 -0.7311000     2.431000  
1 1 1 6  28 40  o 4.8980  1.2710 0.1676000      2.541000  
1 1 1 6  28 41  o 3.1350  1.0390 0.3144000      2.078000  
1 1 1 6  28 42  o 4.8970  1.2930 0.5057000      2.586000  
1 1 1 6  28 43  o 3.3740  1.1220 0.3470000      2.243000  
1 1 1 6  28 44  o 4.3090  1.2820 0.8700000      2.565000  
1 1 1 6  28 45  o 4.3160  1.2910 0.3556000      2.583000  
1 1 1 6  28 46  o 4.1260  1.2620 -0.6242000     2.524000  
1 1 1 6  28 47  o 4.2270  1.2640 1.435000       2.529000  
1 1 1 6  28 48  o 3.2700  1.1010 -0.2024000E-01 2.202000  
1 1 1 6  28 49  o 4.8010  2.0240 ?              ?         
1 1 1 6  28 50  o 3.4680  1.7580 ?              ?         
1 1 1 6  29 0   o 10.460  1.0170 -0.000000      0.000000  
1 1 1 6  29 1   o 7.6050  0.9583 -1.551000      1.917000  
1 1 1 6  29 2   o 9.2520  0.8114 -2.179000      1.623000  
1 1 1 6  29 3   o 10.730  0.7196 -0.2767000     1.439000  
1 1 1 6  29 4   o 11.290  0.6795 2.011000       1.359000  
1 1 1 6  29 5   o 10.800  0.7138 -3.638000      1.428000  
1 1 1 6  29 6   o 12.730  0.6161 -0.7693000     1.232000  
1 1 1 6  29 7   o 10.790  0.6961 -0.8682000     1.392000  
1 1 1 6  29 8   o 13.740  0.5973 -0.8728000     1.195000  
1 1 1 6  29 9   o 22.580  0.5046 0.9664000      1.009000  
1 1 1 6  29 10  o 20.580  0.5477 0.3465000      1.095000  
1 1 1 6  29 11  o 17.820  0.5181 -0.1955000     1.036000  
1 1 1 6  29 12  o 12.050  0.6490 2.631000       1.298000  
1 1 1 6  29 13  f 13.810  0.5855 0.1836000      1.171000  
1 1 1 6  29 14  o 11.440  0.6707 -1.288000      1.341000  
1 1 1 6  29 15  o 7.3420  1.0320 -1.159000      2.064000  
1 1 1 6  29 16  o 8.8530  0.8273 0.7555000E-01  1.655000  
1 1 1 6  29 17  o 5.4080  1.1860 0.9396000      2.371000  
1 1 1 6  29 18  o 5.8140  1.1720 -1.797000      2.343000  
1 1 1 6  29 19  f 12.670  0.6320 -0.4614000     1.264000  
1 1 1 6  29 20  o 8.0290  0.9696 2.406000       1.939000  
1 1 1 6  29 21  o 4.9580  1.1620 -0.7895000     2.324000  
1 1 1 6  29 22  o 4.1110  1.1160 -1.254000      2.231000  
1 1 1 6  29 23  o 3.4520  1.0640 0.8548000      2.128000  
1 1 1 6  29 24  o 4.0780  1.1310 -1.475000      2.261000  
1 1 1 6  29 25  o 10.830  0.7223 -0.7148000     1.445000  
1 1 1 6  29 26  o 6.9040  1.1060 1.795000       2.213000  
1 1 1 6  29 27  o 3.8910  1.1320 -0.3224000     2.264000  
1 1 1 6  29 28  o 3.8780  1.1300 0.6362000      2.260000  
1 1 1 6  29 29  o 3.8440  1.1230 -1.552000      2.246000  
1 1 1 6  29 30  o 5.1670  1.1820 -1.971000      2.364000  
1 1 1 6  29 31  o 5.6170  1.1980 -0.7246000     2.396000  
1 1 1 6  29 32  o 5.0220  1.1010 -3.231000      2.202000  
1 1 1 6  29 33  o 5.4330  1.2060 0.2797000      2.412000  
1 1 1 6  29 34  o 3.7830  1.1290 0.4771000      2.258000  
1 1 1 6  29 35  o 5.2270  1.2430 0.3353000      2.486000  
1 1 1 6  29 36  o 3.6300  1.1060 -0.8906000     2.212000  
1 1 1 6  29 37  o 4.0560  1.1860 -0.3038000E-01 2.372000  
1 1 1 6  29 38  o 4.2950  1.1940 1.644000       2.387000  
1 1 1 6  29 39  f 5.6450  1.2280 1.394000       2.455000  
1 1 1 6  29 40  o 5.4930  1.3410 -0.8208000     2.681000  
1 1 1 6  29 41  o 3.2830  1.0900 -0.2498000     2.180000  
1 1 1 6  29 42  o 4.5650  1.3270 1.010000       2.653000  
1 1 1 6  29 43  o 5.2910  1.4900 -2.288000      2.979000  
1 1 1 6  29 44  f 3.4170  1.2250 0.1644000      2.451000  
1 1 1 6  30 0   o 9.2130  1.2380 0.000000       0.000000  
1 1 1 6  30 1   o 6.7570  1.0900 0.3593000      2.180000  
1 1 1 6  30 2   o 8.0620  0.8957 0.3704000      1.791000  
1 1 1 6  30 3   o 7.3630  0.9748 -0.2996000     1.950000  
1 1 1 6  30 4   o 3.6220  1.0850 -0.2672000     2.170000  
1 1 1 6  30 5   f 2.6930  0.9025 -0.6255000     1.805000  
1 1 1 6  30 6   o 2.5920  0.8850 -0.1262000     1.770000  
1 1 1 6  30 7   o 4.6130  1.2010 -0.5459000E-01 2.403000  
1 1 1 6  30 8   f 4.5070  1.1890 -0.9105000E-01 2.378000  
1 1 1 6  30 9   o 5.8380  1.1510 0.2380000      2.303000  
1 1 1 6  30 10  o 7.7360  0.9560 -1.396000      1.912000  
1 1 1 6  30 11  o 5.1590  1.1890 -0.4472000     2.379000  
1 1 1 6  30 12  f 3.1070  0.9981 0.6505000      1.996000  
1 1 1 6  30 13  o 3.5980  1.0890 -0.6013000     2.178000  
1 1 1 6  30 14  o 7.2700  1.0740 -1.954000      2.148000  
1 1 1 6  30 15  o 4.2390  1.1520 1.040000       2.304000  
1 1 1 6  30 16  o 5.1870  1.1950 0.4403000      2.390000  
1 1 1 6  30 17  o 4.5570  1.2020 -0.3119000     2.404000  
1 1 1 6  30 18  o 4.1000  1.1210 1.985000       2.241000  
1 1 1 6  30 19  o 7.2080  1.0640 2.054000       2.128000  
1 1 1 6  30 20  o 3.8810  1.1470 0.5493000E-01  2.294000  
1 1 1 6  30 21  o 5.0930  1.1780 1.017000       2.357000  
1 1 1 6  30 22  o 3.9290  1.1040 -1.364000      2.209000  
1 1 1 6  30 23  o 5.5770  1.1890 -0.8403000     2.378000  
1 1 1 6  30 24  o 4.2100  1.1590 -0.6212000     2.318000  
1 1 1 6  30 25  o 3.1030  0.9995 0.7144000      1.999000  
1 1 1 6  30 26  o 5.0500  1.1580 -2.507000      2.316000  
1 1 1 6  30 27  o 5.4040  1.2340 -1.290000      2.468000  
1 1 1 6  30 28  o 6.7220  1.1300 1.268000       2.260000  
1 1 1 6  30 29  o 4.0070  1.1410 -1.144000      2.281000  
1 1 1 6  30 30  o 5.6850  1.2090 -1.140000      2.417000  
1 1 1 6  30 31  o 3.3030  1.0450 0.6099000      2.089000  
1 1 1 6  30 32  o 6.3590  1.1620 0.5098000E-01  2.324000  
1 1 1 6  30 33  o 5.8690  1.1790 -2.407000      2.358000  
1 1 1 6  30 34  o 3.9920  1.1620 -1.203000      2.324000  
1 1 1 6  30 35  o 3.5690  1.1580 -0.2711000     2.316000  
1 1 1 6  30 36  o 4.5550  1.4930 0.3310000      2.986000  
1 1 1 6  30 37  o 3.5950  1.8050 ?              ?         
1 1 1 6  31 0   o 2.6050  1.6640 -0.000000      0.000000  
1 1 1 6  31 1   o 3.9280  1.1140 1.182000       2.228000  
1 1 1 6  31 2   o 4.3960  1.1400 1.121000       2.280000  
1 1 1 6  31 3   o 6.6180  1.1000 0.4781000E-01  2.200000  
1 1 1 6  31 4   o 7.4720  1.0170 1.270000       2.035000  
1 1 1 6  31 5   o 5.7670  1.1790 1.049000       2.358000  
1 1 1 6  31 6   o 4.5390  1.1690 0.8870000      2.338000  
1 1 1 6  31 7   o 6.4830  1.0740 1.883000       2.147000  
1 1 1 6  31 8   o 5.9710  1.1520 0.6158000      2.305000  
1 1 1 6  31 9   o 6.5260  1.1210 -0.1561000     2.241000  
1 1 1 6  31 10  o 3.8640  1.1220 -0.6031000     2.244000  
1 1 1 6  31 11  o 5.3840  1.1610 -1.115000      2.321000  
1 1 1 6  31 12  o 6.6600  1.0790 -1.081000      2.159000  
1 1 1 6  31 13  o 6.3310  1.1600 -0.7123000     2.320000  
1 1 1 6  31 14  o 6.1100  1.1850 0.6304000      2.370000  
1 1 1 6  31 15  o 4.2120  1.1760 0.1733000E-01  2.353000  
1 1 1 6  31 16  f 5.9250  1.1860 -1.950000      2.373000  
1 1 1 6  31 17  o 5.9050  1.1840 -1.601000      2.367000  
1 1 1 6  31 18  o 7.9110  1.0120 -2.446000      2.025000  
1 1 1 6  31 19  o 5.7010  1.1970 -1.079000      2.395000  
1 1 1 6  31 20  o 4.8140  1.2230 -0.6778000     2.445000  
1 1 1 6  31 21  o 5.9240  1.2020 -0.3603000     2.404000  
1 1 1 6  31 22  o 3.6290  1.1020 0.8916000      2.204000  
1 1 1 6  31 23  o 5.2800  1.1740 -2.474000      2.349000  
1 1 1 6  31 24  o 3.8770  1.1200 -1.658000      2.241000  
1 1 1 6  31 25  o 3.5590  1.1050 0.5765000      2.211000  
1 1 1 6  31 26  f 4.1320  1.3630 -1.035000      2.726000  
1 1 1 6  31 27  o 3.3730  1.7140 ?              ?         
1 1 1 6  31 28  o 3.9240  1.9610 ?              ?         
1 1 1 6  32 0   o 12.050  1.1410 -0.000000      0.000000  
1 1 1 6  32 1   o 5.0660  1.2410 2.673000       2.483000  
1 1 1 6  32 2   o 3.9960  1.1790 1.605000       2.357000  
1 1 1 6  32 3   o 3.7070  1.1490 -0.3681000     2.297000  
1 1 1 6  32 4   o 5.2160  1.3400 -1.026000      2.680000  
1 1 1 6  32 5   o 10.340  0.9464 0.1920000      1.893000  
1 1 1 6  32 6   o 4.8130  1.2600 2.026000       2.520000  
1 1 1 6  32 7   o 4.9930  1.3040 -0.1026000     2.608000  
1 1 1 6  32 8   o 4.0150  1.2500 0.3845000      2.500000  
1 1 1 7  0  2   o 106.100 4.1800 0.000000       0.000000  
1 1 1 7  0  3   o 108.700 4.2880 -0.000000      0.000000  
1 1 1 7  0  4   o 23.430  0.9292 0.000000       0.000000  
1 1 1 7  0  5   o 24.520  0.9696 0.000000       0.000000  
1 1 1 7  0  15  o 32.780  0.9236 0.000000       0.000000  
1 1 1 7  0  16  o 36.710  1.0350 0.000000       0.000000  
1 1 1 7  0  17  o 56.810  2.2350 0.000000       0.000000  
1 1 1 7  0  18  o 80.480  3.1810 0.000000       0.000000  
1 1 1 7  0  19  f 23.900  0.9918 0.000000       0.000000  
1 1 1 7  0  20  o 39.630  1.5730 0.000000       0.000000  
1 1 1 7  0  21  o 60.710  2.3960 0.000000       0.000000  
1 1 1 7  0  22  o 44.680  1.7710 0.000000       0.000000  
1 1 1 7  0  23  o 25.610  1.0710 -0.000000      0.000000  
1 1 1 7  0  24  o 24.580  1.0390 0.000000       0.000000  
1 1 1 7  0  25  o 25.270  1.0690 -0.000000      0.000000  
1 1 1 7  0  26  o 2.8910  1.6770 0.000000       0.000000  
1 1 1 7  0  27  o 23.480  1.0330 -0.000000      0.000000  
1 1 1 7  0  28  o 36.650  1.4860 0.000000       0.000000  
1 1 1 7  0  29  o 22.940  1.0360 -0.000000      0.000000  
1 1 1 7  0  30  o 7.4990  1.5600 0.000000       0.000000  
1 1 1 7  0  31  o 28.280  1.2140 0.000000       0.000000  
1 1 1 7  0  32  o 15.340  1.0040 -0.000000      0.000000  
1 1 1 7  0  33  o 32.510  1.3700 0.000000       0.000000  
1 1 1 7  0  34  o 7.0450  2.0770 0.000000       0.000000  
1 1 1 7  0  35  o 29.850  1.2920 0.000000       0.000000  
1 1 1 7  0  36  o 4.4100  2.3510 0.000000       0.000000  
1 1 1 7  0  37  o 4.5080  2.3330 -0.000000      0.000000  
1 1 1 7  0  38  o 14.470  1.2040 0.000000       0.000000  
1 1 1 7  0  39  o 23.820  1.1960 0.000000       0.000000  
1 1 1 7  0  40  o 9.0020  1.9670 -0.000000      0.000000  
1 1 1 7  0  41  o 2.5740  1.7790 0.000000       0.000000  
1 1 1 7  0  42  o 3.0880  2.0450 0.000000       0.000000  
1 1 1 7  0  43  f 23.500  1.2530 -0.000000      0.000000  
1 1 1 7  0  44  o 24.950  1.2950 -0.000000      0.000000  
1 1 1 7  0  45  o 3.7110  2.3300 -0.000000      0.000000  
1 1 1 7  0  46  o 17.890  1.3200 0.000000       0.000000  
1 1 1 7  0  47  o 28.810  1.3990 0.000000       0.000000  
1 1 1 7  0  48  o 30.500  1.4420 0.000000       0.000000  
1 1 1 7  0  49  o 10.400  2.5110 0.000000       0.000000  
1 1 1 7  0  50  o 27.650  1.3930 0.000000       0.000000  
1 1 1 7  0  51  o 59.670  2.4270 -0.000000      0.000000  
1 1 1 7  0  52  o 17.930  1.6040 0.000000       0.000000  
1 1 1 7  0  53  f 16.160  1.7000 0.000000       0.000000  
1 1 1 7  0  54  o 22.550  1.4810 0.000000       0.000000  
1 1 1 7  0  55  o 22.440  1.5630 0.000000       0.000000  
1 1 1 7  0  56  o 5.8910  3.2010 0.000000       0.000000  
1 1 1 7  0  57  o 17.200  1.9590 0.000000       0.000000  
1 1 1 7  0  58  f 9.1340  3.5520 0.000000       0.000000  
1 1 1 7  0  59  o 29.720  1.6220 0.000000       0.000000  
1 1 1 7  0  60  o 58.410  2.4400 0.000000       0.000000  
1 1 1 7  0  61  o 17.720  2.0120 -0.000000      0.000000  
1 1 1 7  0  62  o 7.0560  3.5180 0.000000       0.000000  
1 1 1 7  0  63  o 3.5600  2.4750 -0.000000      0.000000  
1 1 1 7  0  64  o 39.750  1.8980 -0.000000      0.000000  
1 1 1 7  0  65  o 29.520  1.8160 0.000000       0.000000  
1 1 1 7  0  66  o 55.630  2.4150 0.000000       0.000000  
1 1 1 7  0  67  o 18.700  2.3550 0.000000       0.000000  
1 1 1 7  0  68  o 13.630  3.2630 -0.000000      0.000000  
1 1 1 7  0  69  o 12.680  4.0770 -0.000000      0.000000  
1 1 1 7  0  70  o 16.450  3.2360 0.000000       0.000000  
1 1 1 7  0  71  f 3.8980  2.7660 -0.000000      0.000000  
1 1 1 7  0  72  o 5.1320  3.4130 0.000000       0.000000  
1 1 1 7  0  73  o 4.9890  3.3610 0.000000       0.000000  
1 1 1 7  0  74  o 8.8240  4.4930 -0.000000      0.000000  
1 1 1 7  0  75  o 16.440  3.7160 0.000000       0.000000  
1 1 1 7  0  76  o 5.6510  3.6760 0.000000       0.000000  
1 1 1 7  0  77  o 4.4150  3.0600 -0.000000      0.000000  
1 1 1 7  0  78  o 11.600  4.3720 -0.000000      0.000000  
1 1 1 7  0  79  o 4.0490  2.8650 -0.000000      0.000000  
1 1 1 7  0  80  o 15.860  3.9770 -0.000000      0.000000  
1 1 1 7  0  81  o 8.2240  4.6390 -0.000000      0.000000  
1 1 1 7  0  82  f 8.5180  4.6600 0.000000       0.000000  
1 1 1 7  0  83  o 5.3810  3.5910 -0.000000      0.000000  
1 1 1 7  0  84  o 6.7420  4.1230 0.000000       0.000000  
1 1 1 7  0  85  o 5.5710  3.6810 0.000000       0.000000  
1 1 1 7  0  86  o 5.5200  3.6400 0.000000       0.000000  
1 1 1 7  0  87  o 4.6830  3.2380 -0.000000      0.000000  
1 1 1 7  0  88  o 6.7790  4.0990 -0.000000      0.000000  
1 1 1 7  0  89  o 6.0830  3.7780 0.000000       0.000000  
1 1 1 7  0  90  o 3.6920  2.6700 0.000000       0.000000  
1 1 1 7  0  91  o 6.1890  3.8990 -0.000000      0.000000  
1 1 1 7  0  92  o 3.5930  2.5980 -0.000000      0.000000  
1 1 1 7  0  93  o 5.4100  3.5500 -0.000000      0.000000  
1 1 1 7  0  94  o 4.5240  3.0980 -0.000000      0.000000  
1 1 1 7  0  95  o 4.1210  2.8620 -0.000000      0.000000  
1 1 1 7  0  96  o 3.2890  2.3680 -0.000000      0.000000  
1 1 1 7  0  97  o 4.0260  2.7480 -0.000000      0.000000  
1 1 1 7  0  98  o 2.9620  2.1000 0.000000       0.000000  
1 1 1 7  1  0   o 19.210  0.7836 0.000000       0.000000  
1 1 1 7  1  1   o 49.330  1.3640 -1.236000      2.727000  
1 1 1 7  1  2   o 8.8290  0.4776 ?              ?         
1 1 1 7  1  3   o 69.060  2.7030 ?              ?         
1 1 1 7  1  4   o 89.500  3.5210 ?              ?         
1 1 1 7  1  5   o 48.370  1.8880 ?              ?         
1 1 1 7  1  6   o 17.290  0.7411 -30.73000      1.482000  
1 1 1 7  1  7   o 23.010  0.9364 -42.96000      1.873000  
1 1 1 7  1  8   o 14.260  0.6232 -25.83000      1.246000  
1 1 1 7  1  9   o 11.410  0.5195 ?              ?         
1 1 1 7  1  10  o 45.440  1.7760 ?              ?         
1 1 1 7  1  11  o 24.310  0.9696 ?              ?         
1 1 1 7  1  12  f 20.490  0.8389 ?              ?         
1 1 1 7  1  13  f 43.590  1.7110 ?              ?         
1 1 1 7  1  14  f 38.540  1.5160 ?              ?         
1 1 1 7  1  15  o 84.280  3.3270 ?              ?         
1 1 1 7  1  16  o 37.250  0.8963 -0.7250000     1.793000  
1 1 1 7  1  17  o 18.100  0.4835 -0.1960000     0.9669000 
1 1 1 7  1  18  o 23.730  0.5995 0.5298000      1.199000  
1 1 1 7  1  19  o 8.0470  0.6006 ?              ?         
1 1 1 7  1  20  o 26.420  0.6610 -0.3056000     1.322000  
1 1 1 7  1  21  o 12.100  0.4659 -0.5372000     0.9318000 
1 1 1 7  1  22  o 19.690  0.5457 -0.2684000     1.091000  
1 1 1 7  1  23  o 17.920  0.5250 -0.7930000E-01 1.050000  
1 1 1 7  1  24  f 71.630  1.7500 1.286000       3.499000  
1 1 1 7  1  25  o 20.710  0.5715 -0.1588000     1.143000  
1 1 1 7  1  26  o 58.890  1.6570 0.8928000      3.314000  
1 1 1 7  1  27  o 16.680  0.8851 ?              ?         
1 1 1 7  1  28  o 33.080  1.3560 ?              ?         
1 1 1 7  1  29  o 42.670  1.7190 ?              ?         
1 1 1 7  1  30  f 15.250  0.9567 ?              ?         
1 1 1 7  1  31  o 9.2170  1.2720 ?              ?         
1 1 1 7  1  32  o 21.610  1.0320 ?              ?         
1 1 1 7  1  33  o 16.210  1.0010 ?              ?         
1 1 1 7  1  34  o 11.880  1.1440 ?              ?         
1 1 1 7  1  35  o 17.740  1.0730 ?              ?         
1 1 1 7  1  36  o 23.160  1.1510 ?              ?         
1 1 1 7  1  37  o 10.970  1.4630 ?              ?         
1 1 1 7  1  38  o 15.770  1.1870 ?              ?         
1 1 1 7  1  39  o 8.9890  1.8040 ?              ?         
1 1 1 7  1  40  o 29.680  1.3380 ?              ?         
1 1 1 7  1  41  o 31.430  1.4020 ?              ?         
1 1 1 7  1  42  o 27.800  1.3100 ?              ?         
1 1 1 7  1  43  o 40.770  1.7000 ?              ?         
1 1 1 7  1  44  o 12.750  1.5880 ?              ?         
1 1 1 7  1  45  o 30.630  1.4130 ?              ?         
1 1 1 7  1  46  o 14.340  1.5480 ?              ?         
1 1 1 7  1  47  f 14.810  1.5040 ?              ?         
1 1 1 7  1  48  o 31.820  1.4920 ?              ?         
1 1 1 7  1  49  o 45.900  1.9240 ?              ?         
1 1 1 7  1  50  o 22.590  1.3870 ?              ?         
1 1 1 7  1  51  o 30.920  1.5130 ?              ?         
1 1 1 7  1  52  o 12.390  2.0980 ?              ?         
1 1 1 7  1  53  o 42.300  1.8250 ?              ?         
1 1 1 7  1  54  o 27.870  1.5130 ?              ?         
1 1 1 7  1  55  o 25.510  1.5450 ?              ?         
1 1 1 7  1  56  f 11.880  2.5010 ?              ?         
1 1 1 7  1  57  o 6.2040  2.5940 ?              ?         
1 1 1 7  1  58  o 18.750  1.7660 ?              ?         
1 1 1 7  1  59  o 31.710  1.6860 ?              ?         
1 1 1 7  1  60  o 16.620  2.1970 ?              ?         
1 1 1 7  1  61  f 28.100  1.7570 ?              ?         
1 1 1 7  1  62  f 47.880  2.1430 ?              ?         
1 1 1 7  1  63  o 15.160  2.6340 ?              ?         
1 1 1 7  1  64  o 19.220  2.0170 ?              ?         
1 1 1 7  1  65  f 26.080  1.9590 ?              ?         
1 1 1 7  1  66  o 19.220  2.3710 ?              ?         
1 1 1 7  1  67  o 21.340  2.2310 ?              ?         
1 1 1 7  1  68  o 29.160  1.9930 ?              ?         
1 1 1 7  1  69  o 14.570  3.1620 ?              ?         
1 1 1 7  1  70  o 13.190  3.3660 ?              ?         
1 1 1 7  1  71  o 10.800  3.5980 ?              ?         
1 1 1 7  1  72  o 7.2020  3.2050 ?              ?         
1 1 1 7  1  73  f 16.710  3.2020 ?              ?         
1 1 1 7  1  74  o 10.750  3.7920 ?              ?         
1 1 1 7  1  75  o 14.710  3.6050 ?              ?         
1 1 1 7  1  76  o 10.700  3.8160 ?              ?         
1 1 1 7  1  77  o 7.8480  3.4030 ?              ?         
1 1 1 7  1  78  o 12.220  3.8320 ?              ?         
1 1 1 7  1  79  o 11.120  3.9340 ?              ?         
1 1 1 7  1  80  o 7.3900  3.3720 ?              ?         
1 1 1 7  1  81  o 6.4820  3.0900 ?              ?         
1 1 1 7  1  82  o 6.0010  2.9140 ?              ?         
1 1 1 7  1  83  o 10.850  3.9360 ?              ?         
1 1 1 7  1  84  o 5.9130  2.8200 ?              ?         
1 1 1 7  1  85  f 5.8820  2.8240 ?              ?         
1 1 1 7  1  86  f 7.0600  3.2120 ?              ?         
1 1 1 7  1  87  o 6.3540  3.0660 ?              ?         
1 1 1 7  1  88  o 5.8420  2.8560 ?              ?         
1 1 1 7  1  89  o 5.9200  2.8670 ?              ?         
1 1 1 7  1  90  o 4.9350  2.4670 ?              ?         
1 1 1 7  1  91  o 5.2330  2.5900 ?              ?         
1 1 1 7  1  92  o 5.3940  2.6380 ?              ?         
1 1 1 7  1  93  o 7.5710  3.3490 ?              ?         
1 1 1 7  1  94  o 4.1540  2.1130 ?              ?         
1 1 1 7  1  95  o 5.1380  1.7630 0.3566000      3.527000  
1 1 1 7  1  96  o 4.3930  1.5480 0.5820000      3.096000  
1 1 1 7  1  97  o 4.0600  1.4210 0.2635000      2.842000  
1 1 1 7  1  98  o 3.6060  1.2690 0.8652000E-01  2.538000  
1 1 1 7  2  0   o 80.510  2.2210 -0.000000      0.000000  
1 1 1 7  2  1   o 60.470  1.0760 0.3755000      2.152000  
1 1 1 7  2  2   o 69.340  1.2330 1.266000       2.466000  
1 1 1 7  2  3   o 36.800  0.7224 -2.482000      1.445000  
1 1 1 7  2  4   o 61.190  1.1980 1.837000       2.396000  
1 1 1 7  2  5   o 79.040  2.1950 5.531000       4.389000  
1 1 1 7  2  6   o 68.720  1.9020 0.7002000      3.804000  
1 1 1 7  2  7   o 25.810  0.7253 -3.978000      1.451000  
1 1 1 7  2  8   o 23.580  0.6650 0.9103000E-01  1.330000  
1 1 1 7  2  9   o 48.760  1.3480 0.6401000      2.695000  
1 1 1 7  2  10  f 27.570  1.0890 ?              ?         
1 1 1 7  2  11  o 33.150  0.9233 -0.4936000     1.847000  
1 1 1 7  2  12  o 55.680  1.5440 -1.448000      3.088000  
1 1 1 7  2  13  o 74.980  2.0870 -1.788000      4.174000  
1 1 1 7  2  14  o 62.320  1.7300 0.6701000      3.460000  
1 1 1 7  2  15  o 24.700  0.7091 -0.5326000     1.418000  
1 1 1 7  2  16  o 37.630  1.0540 -0.9842000     2.107000  
1 1 1 7  2  17  o 25.010  0.7281 0.5689000      1.456000  
1 1 1 7  2  18  o 44.800  1.2540 1.877000       2.507000  
1 1 1 7  2  19  o 45.630  1.2760 2.128000       2.551000  
1 1 1 7  2  20  o 45.440  1.2740 0.6613000      2.547000  
1 1 1 7  2  21  o 46.860  1.3140 -0.3751000     2.628000  
1 1 1 7  2  22  o 36.230  1.0290 -0.5709000     2.057000  
1 1 1 7  2  23  o 21.950  0.9833 ?              ?         
1 1 1 7  2  24  o 29.280  0.8576 0.1228000      1.715000  
1 1 1 7  2  25  o 28.060  0.8320 1.026000       1.664000  
1 1 1 7  2  26  o 45.330  1.2830 -0.7935000     2.567000  
1 1 1 7  2  27  o 11.250  0.7398 -0.5224000     1.480000  
1 1 1 7  2  28  o 54.420  1.5420 -0.3058000     3.084000  
1 1 1 7  2  29  o 6.6790  1.1270 -2.579000      2.254000  
1 1 1 7  2  30  o 25.450  0.8036 -0.3028000     1.607000  
1 1 1 7  2  31  o 12.710  0.7894 1.200000       1.579000  
1 1 1 7  2  32  o 4.6040  1.2070 -2.455000      2.414000  
1 1 1 7  2  33  f 21.630  0.7493 -0.5247000E-01 1.499000  
1 1 1 7  2  34  o 10.310  1.3000 ?              ?         
1 1 1 7  2  35  o 26.650  1.2060 ?              ?         
1 1 1 7  2  36  o 43.260  1.7700 ?              ?         
1 1 1 7  2  37  o 21.690  1.1450 ?              ?         
1 1 1 7  2  38  o 8.1310  1.9390 ?              ?         
1 1 1 7  2  39  o 26.640  1.2720 ?              ?         
1 1 1 7  2  40  o 38.620  1.6190 ?              ?         
1 1 1 7  2  41  o 32.150  1.4130 ?              ?         
1 1 1 7  2  42  f 21.640  1.2210 ?              ?         
1 1 1 7  2  43  f 14.470  1.3540 ?              ?         
1 1 1 7  2  44  o 18.540  1.2360 ?              ?         
1 1 1 7  2  45  o 45.830  1.8990 ?              ?         
1 1 1 7  2  46  o 42.540  1.7940 ?              ?         
1 1 1 7  2  47  o 13.240  1.6260 ?              ?         
1 1 1 7  2  48  o 27.320  1.4000 ?              ?         
1 1 1 7  2  49  o 13.330  1.7190 ?              ?         
1 1 1 7  2  50  o 18.320  1.5260 ?              ?         
1 1 1 7  2  51  f 17.660  1.4900 ?              ?         
1 1 1 7  2  52  o 32.910  1.5630 ?              ?         
1 1 1 7  2  53  o 10.590  2.2160 ?              ?         
1 1 1 7  2  54  o 30.160  1.5220 ?              ?         
1 1 1 7  2  55  o 26.230  1.5690 ?              ?         
1 1 1 7  2  56  o 8.6210  2.6830 ?              ?         
1 1 1 7  2  57  o 22.750  1.5860 ?              ?         
1 1 1 7  2  58  o 10.490  2.8240 ?              ?         
1 1 1 7  2  59  o 23.050  1.5890 ?              ?         
1 1 1 7  2  60  o 18.570  1.9810 ?              ?         
1 1 1 7  2  61  o 25.090  1.7520 ?              ?         
1 1 1 7  2  62  o 28.860  1.8070 ?              ?         
1 1 1 7  2  63  o 34.790  1.8460 ?              ?         
1 1 1 7  2  64  o 8.7800  3.1620 ?              ?         
1 1 1 7  2  65  o 19.510  2.3770 ?              ?         
1 1 1 7  2  66  o 31.040  1.9300 ?              ?         
1 1 1 7  2  67  o 18.760  2.6030 ?              ?         
1 1 1 7  2  68  o 10.270  3.5090 ?              ?         
1 1 1 7  2  69  o 12.520  3.3930 ?              ?         
1 1 1 7  2  70  o 10.510  3.3320 ?              ?         
1 1 1 7  2  71  o 7.9070  3.2110 ?              ?         
1 1 1 7  2  72  o 10.390  3.6290 ?              ?         
1 1 1 7  2  73  o 8.9370  3.5050 ?              ?         
1 1 1 7  2  74  o 9.3130  3.5830 ?              ?         
1 1 1 7  2  75  o 11.680  3.7220 ?              ?         
1 1 1 7  2  76  o 10.020  3.6920 ?              ?         
1 1 1 7  2  77  o 14.980  3.4800 ?              ?         
1 1 1 7  2  78  o 8.0230  3.4470 ?              ?         
1 1 1 7  2  79  o 8.4560  3.5890 ?              ?         
1 1 1 7  2  80  o 10.160  3.9070 ?              ?         
1 1 1 7  2  81  o 11.270  4.0230 ?              ?         
1 1 1 7  2  82  o 9.8650  3.9010 ?              ?         
1 1 1 7  2  83  o 6.2060  3.0070 ?              ?         
1 1 1 7  2  84  o 6.7370  3.1920 ?              ?         
1 1 1 7  2  85  o 8.0550  3.5700 ?              ?         
1 1 1 7  2  86  o 7.1140  3.3090 ?              ?         
1 1 1 7  2  87  o 7.3910  3.3940 ?              ?         
1 1 1 7  2  88  o 5.7420  2.8070 ?              ?         
1 1 1 7  2  89  o 6.7480  3.1090 ?              ?         
1 1 1 7  2  90  o 6.4080  2.9950 ?              ?         
1 1 1 7  2  91  o 6.9670  3.1810 ?              ?         
1 1 1 7  2  92  o 5.0520  2.5180 ?              ?         
1 1 1 7  2  93  o 6.2640  2.9990 ?              ?         
1 1 1 7  2  94  o 6.0910  2.9070 ?              ?         
1 1 1 7  2  95  o 4.6920  2.3450 ?              ?         
1 1 1 7  2  96  o 4.6650  2.3040 ?              ?         
1 1 1 7  2  97  o 4.0460  1.9880 ?              ?         
1 1 1 7  3  0   f 8.1420  0.2982 0.000000       0.000000  
1 1 1 7  3  1   o 4.8130  0.4754 1.774000       0.9508000 
1 1 1 7  3  2   o 18.940  0.3427 0.1387000      0.6854000 
1 1 1 7  3  3   o 55.340  0.8803 1.132000       1.761000  
1 1 1 7  3  4   o 30.950  0.5620 -2.082000      1.124000  
1 1 1 7  3  5   o 38.920  0.6975 -0.5670000     1.395000  
1 1 1 7  3  6   o 41.710  0.7433 2.169000       1.487000  
1 1 1 7  3  7   o 56.950  1.1120 0.4077000      2.224000  
1 1 1 7  3  8   o 51.380  1.2200 -2.710000      2.441000  
1 1 1 7  3  9   o 40.570  0.9716 -0.8839000     1.943000  
1 1 1 7  3  10  o 72.300  1.7250 -2.878000      3.451000  
1 1 1 7  3  11  o 44.090  1.0490 8.440000       2.097000  
1 1 1 7  3  12  o 27.920  0.6349 -1.548000      1.270000  
1 1 1 7  3  13  o 120.200 2.7860 0.7433000      5.572000  
1 1 1 7  3  14  o 41.030  1.0950 19.82000       2.191000  
1 1 1 7  3  15  o 37.950  0.9177 -0.7204000     1.835000  
1 1 1 7  3  16  f 52.010  1.2470 -1.782000      2.494000  
1 1 1 7  3  17  o 32.570  0.8002 -0.4498000E-01 1.600000  
1 1 1 7  3  18  o 57.520  1.4050 3.202000       2.809000  
1 1 1 7  3  19  o 29.150  0.7303 0.3491000      1.461000  
1 1 1 7  3  20  o 35.370  0.8716 0.6370000      1.743000  
1 1 1 7  3  21  o 38.390  1.0860 0.5423000      2.171000  
1 1 1 7  3  22  o 10.470  0.6408 -2.031000      1.282000  
1 1 1 7  3  23  o 50.880  1.4300 1.861000       2.860000  
1 1 1 7  3  24  o 39.330  1.1170 0.1276000      2.235000  
1 1 1 7  3  25  o 37.170  1.0630 -0.8036000     2.126000  
1 1 1 7  3  26  o 23.050  0.7386 0.7720000E-01  1.477000  
1 1 1 7  3  27  o 13.600  1.0140 ?              ?         
1 1 1 7  3  28  o 33.440  0.9746 -0.7322000     1.949000  
1 1 1 7  3  29  o 12.480  0.7430 -0.7462000     1.486000  
1 1 1 7  3  30  o 12.850  0.7532 0.7687000      1.506000  
1 1 1 7  3  31  o 22.090  0.7582 -0.8368000     1.516000  
1 1 1 7  3  32  f 49.360  1.4100 0.8927000      2.821000  
1 1 1 7  3  33  o 10.760  0.9082 -0.7196000     1.816000  
1 1 1 7  3  34  o 9.8590  1.0420 0.7390000      2.084000  
1 1 1 7  3  35  o 42.900  1.2480 -0.3316000     2.496000  
1 1 1 7  3  36  o 40.160  1.1790 2.876000       2.358000  
1 1 1 7  3  37  o 38.180  1.1330 0.4089000E-02  2.265000  
1 1 1 7  3  38  o 27.300  0.9014 1.320000       1.803000  
1 1 1 7  3  39  o 22.340  0.8541 -0.9639000     1.708000  
1 1 1 7  3  40  o 15.160  0.9282 -0.3826000     1.856000  
1 1 1 7  3  41  f 25.390  1.2640 ?              ?         
1 1 1 7  3  42  f 39.080  1.6460 ?              ?         
1 1 1 7  3  43  o 22.680  1.2780 ?              ?         
1 1 1 7  3  44  o 43.370  1.8160 ?              ?         
1 1 1 7  3  45  o 26.990  1.3860 ?              ?         
1 1 1 7  3  46  o 52.110  2.1450 ?              ?         
1 1 1 7  3  47  o 76.670  3.0860 ?              ?         
1 1 1 7  3  48  o 39.650  1.7270 ?              ?         
1 1 1 7  3  49  o 27.490  1.4320 ?              ?         
1 1 1 7  3  50  o 18.580  1.4520 ?              ?         
1 1 1 7  3  51  o 18.560  1.5320 ?              ?         
1 1 1 7  3  52  o 7.3860  2.5830 ?              ?         
1 1 1 7  3  53  o 7.2740  2.6880 ?              ?         
1 1 1 7  3  54  o 11.730  2.3940 ?              ?         
1 1 1 7  3  55  o 23.700  1.5890 ?              ?         
1 1 1 7  3  56  o 23.910  1.5790 ?              ?         
1 1 1 7  3  57  o 16.480  1.8910 ?              ?         
1 1 1 7  3  58  o 19.560  1.6780 ?              ?         
1 1 1 7  3  59  f 14.500  2.4010 ?              ?         
1 1 1 7  3  60  o 4.9380  2.3080 ?              ?         
1 1 1 7  3  61  o 12.260  2.7350 ?              ?         
1 1 1 7  3  62  o 20.210  2.0320 ?              ?         
1 1 1 7  3  63  o 12.880  2.7740 ?              ?         
1 1 1 7  3  64  o 25.260  1.8960 ?              ?         
1 1 1 7  3  65  o 8.3960  3.3400 ?              ?         
1 1 1 7  3  66  o 31.290  1.9630 ?              ?         
1 1 1 7  3  67  o 21.610  2.0800 ?              ?         
1 1 1 7  3  68  o 14.120  3.0430 ?              ?         
1 1 1 7  3  69  o 16.640  2.8430 ?              ?         
1 1 1 7  3  70  o 10.400  3.5980 ?              ?         
1 1 1 7  3  71  o 7.2800  3.2130 ?              ?         
1 1 1 7  3  72  o 8.5000  3.3700 ?              ?         
1 1 1 7  3  73  o 13.270  3.5060 ?              ?         
1 1 1 7  3  74  o 6.7910  3.0710 ?              ?         
1 1 1 7  3  75  o 9.3910  3.6140 ?              ?         
1 1 1 7  3  76  o 9.9190  3.7410 ?              ?         
1 1 1 7  3  77  o 8.4540  3.5710 ?              ?         
1 1 1 7  3  78  o 8.8520  3.6840 ?              ?         
1 1 1 7  3  79  o 12.220  3.9300 ?              ?         
1 1 1 7  3  80  o 12.820  3.8140 ?              ?         
1 1 1 7  3  81  o 10.440  3.8480 ?              ?         
1 1 1 7  3  82  o 9.6420  3.8020 ?              ?         
1 1 1 7  3  83  o 7.8570  3.5160 ?              ?         
1 1 1 7  3  84  o 6.3550  3.0360 ?              ?         
1 1 1 7  3  85  o 7.1610  3.2790 ?              ?         
1 1 1 7  3  86  f 6.4830  3.0790 ?              ?         
1 1 1 7  3  87  o 6.7160  3.1420 ?              ?         
1 1 1 7  3  88  f 8.2690  3.4820 ?              ?         
1 1 1 7  3  89  f 5.6870  2.7270 ?              ?         
1 1 1 7  3  90  o 5.7870  2.7690 ?              ?         
1 1 1 7  3  91  o 6.2680  2.9650 ?              ?         
1 1 1 7  3  92  o 6.1620  2.9540 ?              ?         
1 1 1 7  3  93  o 7.8640  3.4750 ?              ?         
1 1 1 7  3  94  f 5.7930  2.7890 ?              ?         
1 1 1 7  3  95  o 4.4420  2.2340 ?              ?         
1 1 1 7  3  96  o 4.7130  2.3320 ?              ?         
1 1 1 7  3  97  o 3.3340  1.6830 ?              ?         
1 1 1 7  3  98  o 5.7510  2.4230 ?              ?         
1 1 1 7  4  0   o 6.2100  0.3606 -0.000000      0.000000  
1 1 1 7  4  1   o 16.590  0.2966 1.236000       0.5931000 
1 1 1 7  4  2   o 19.770  0.3148 -0.1336000     0.6297000 
1 1 1 7  4  3   o 49.290  0.6798 0.3306000      1.360000  
1 1 1 7  4  4   o 9.4720  0.2864 ?              ?         
1 1 1 7  4  5   o 42.720  0.6417 -1.727000      1.283000  
1 1 1 7  4  6   o 62.960  0.9372 0.4063000E-01  1.874000  
1 1 1 7  4  7   o 49.050  0.7850 1.989000       1.570000  
1 1 1 7  4  8   o 20.930  0.3931 2.345000       0.7862000 
1 1 1 7  4  9   o 10.610  0.2539 -0.7435000     0.5078000 
1 1 1 7  4  10  o 74.960  1.3340 -1.448000      2.668000  
1 1 1 7  4  11  o 37.710  0.8613 ?              ?         
1 1 1 7  4  12  o 51.250  0.9172 -0.7388000     1.834000  
1 1 1 7  4  13  o 51.050  1.1430 -2.689000      2.287000  
1 1 1 7  4  14  o 44.800  1.0470 4.662000       2.094000  
1 1 1 7  4  15  o 13.040  0.4010 3.206000       0.8020000 
1 1 1 7  4  16  o 33.700  0.8220 -0.8854000     1.644000  
1 1 1 7  4  17  o 21.340  0.5585 -0.9114000     1.117000  
1 1 1 7  4  18  o 14.750  0.4830 -0.4912000     0.9660000 
1 1 1 7  4  19  o 76.640  1.8530 -0.9171000     3.707000  
1 1 1 7  4  20  f 47.520  1.1550 -0.4594000E-01 2.310000  
1 1 1 7  4  21  o 25.410  0.6658 0.8260000      1.332000  
1 1 1 7  4  22  o 12.670  0.5292 0.7978000      1.058000  
1 1 1 7  4  23  o 34.640  0.8607 0.1013000      1.721000  
1 1 1 7  4  24  o 49.990  1.2240 1.217000       2.447000  
1 1 1 7  4  25  o 31.860  0.8114 1.165000       1.623000  
1 1 1 7  4  26  o 36.650  0.9144 -0.3526000     1.829000  
1 1 1 7  4  27  o 38.120  0.9446 -1.112000      1.889000  
1 1 1 7  4  28  o 22.200  0.6399 -0.9666000     1.280000  
1 1 1 7  4  29  o 21.970  0.6473 0.4103000E-01  1.295000  
1 1 1 7  4  30  o 26.520  0.7163 -0.4448000     1.433000  
1 1 1 7  4  31  o 31.900  0.8255 -3.163000      1.651000  
1 1 1 7  4  32  o 39.670  0.9946 -0.8232000E-01 1.989000  
1 1 1 7  4  33  o 28.520  0.7744 0.3159000      1.549000  
1 1 1 7  4  34  o 14.870  0.6888 0.3851000E-01  1.378000  
1 1 1 7  4  35  o 14.400  0.7542 2.641000       1.508000  
1 1 1 7  4  36  o 10.650  0.9292 0.1410000      1.858000  
1 1 1 7  4  37  o 5.7210  1.3450 -1.873000      2.691000  
1 1 1 7  4  38  o 32.320  0.8662 -0.7797000     1.732000  
1 1 1 7  4  39  o 17.430  0.7653 0.5168000      1.531000  
1 1 1 7  4  40  o 14.930  0.8211 -1.041000      1.642000  
1 1 1 7  4  41  o 22.580  0.7692 1.120000       1.538000  
1 1 1 7  4  42  o 34.790  0.9426 1.329000       1.885000  
1 1 1 7  4  43  o 64.480  1.5960 0.7977000      3.191000  
1 1 1 7  4  44  o 42.980  1.1100 0.3581000      2.221000  
1 1 1 7  4  45  f 5.9200  1.5760 1.540000       3.151000  
1 1 1 7  4  46  o 24.510  0.8624 1.019000       1.725000  
1 1 1 7  4  47  o 14.380  1.2830 -0.8516000E-01 2.566000  
1 1 1 7  4  48  o 21.330  1.0750 1.910000       2.149000  
1 1 1 7  4  49  o 30.000  1.1150 2.740000       2.231000  
1 1 1 7  4  50  o 39.370  1.7040 ?              ?         
1 1 1 7  4  51  o 11.620  2.3060 ?              ?         
1 1 1 7  4  52  o 9.4980  2.5950 ?              ?         
1 1 1 7  4  53  o 12.020  2.1770 ?              ?         
1 1 1 7  4  54  o 20.540  1.6340 ?              ?         
1 1 1 7  4  55  o 22.040  1.6290 ?              ?         
1 1 1 7  4  56  f 23.640  1.5330 ?              ?         
1 1 1 7  4  57  f 33.100  1.7020 ?              ?         
1 1 1 7  4  58  o 27.130  1.6030 ?              ?         
1 1 1 7  4  59  o 27.940  1.7530 ?              ?         
1 1 1 7  4  60  o 12.740  2.5680 ?              ?         
1 1 1 7  4  61  o 36.310  1.8330 ?              ?         
1 1 1 7  4  62  o 24.390  1.9280 ?              ?         
1 1 1 7  4  63  o 13.850  2.6580 ?              ?         
1 1 1 7  4  64  o 32.550  1.9490 ?              ?         
1 1 1 7  4  65  o 35.890  1.9760 ?              ?         
1 1 1 7  4  66  o 20.610  2.0860 ?              ?         
1 1 1 7  4  67  o 24.210  2.1500 ?              ?         
1 1 1 7  4  68  o 9.3210  3.4900 ?              ?         
1 1 1 7  4  69  o 7.7420  3.1810 ?              ?         
1 1 1 7  4  70  f 12.720  3.3820 ?              ?         
1 1 1 7  4  71  o 18.370  2.9170 ?              ?         
1 1 1 7  4  72  o 14.960  3.5190 ?              ?         
1 1 1 7  4  73  o 16.610  2.2470 -0.9461000     4.493000  
1 1 1 7  4  74  f 9.4470  2.5860 -0.9390000     5.173000  
1 1 1 7  4  75  o 8.5860  2.5050 2.027000       5.010000  
1 1 1 7  4  76  o 11.720  2.7380 -2.194000      5.477000  
1 1 1 7  4  77  o 6.7710  2.2250 -1.076000      4.449000  
1 1 1 7  4  78  o 11.220  2.8210 -2.341000      5.643000  
1 1 1 7  4  79  o 9.2600  2.6850 0.6201000      5.371000  
1 1 1 7  4  80  o 13.210  2.8530 1.469000       5.705000  
1 1 1 7  4  81  o 8.4270  2.5990 -1.467000      5.197000  
1 1 1 7  4  82  o 6.8190  2.2690 0.4901000      4.539000  
1 1 1 7  4  83  o 8.2050  2.4920 2.571000       4.985000  
1 1 1 7  4  84  o 6.5840  2.1990 1.366000       4.399000  
1 1 1 7  4  85  f 9.9920  2.7560 -1.218000      5.512000  
1 1 1 7  4  86  o 7.7880  2.4660 -1.835000      4.933000  
1 1 1 7  4  87  o 6.4430  2.1840 -1.297000      4.369000  
1 1 1 7  4  88  o 5.3920  1.8840 -1.070000      3.768000  
1 1 1 7  4  89  o 5.9820  2.0090 1.922000       4.017000  
1 1 1 7  4  90  o 7.0850  2.2820 -2.452000      4.563000  
1 1 1 7  4  91  o 5.8350  1.9930 -0.4255000     3.987000  
1 1 1 7  4  92  o 5.5870  1.9390 1.400000       3.877000  
1 1 1 7  4  93  f 5.5060  1.9120 1.124000       3.823000  
1 1 1 7  4  94  o 5.1760  1.8080 -0.8088000     3.616000  
1 1 1 7  4  95  o 4.8910  1.7260 -0.8034000     3.451000  
1 1 1 7  4  96  o 4.7510  1.6480 0.4965000      3.296000  
1 1 1 7  4  97  o 3.7550  1.3200 -0.6126000E-01 2.640000  
1 1 1 7  5  0   o 21.740  0.4494 -0.000000      0.000000  
1 1 1 7  5  1   f 25.200  0.3893 1.084000       0.7787000 
1 1 1 7  5  2   o 42.170  0.5838 0.4300000      1.168000  
1 1 1 7  5  3   o 16.680  0.2829 0.1921000      0.5658000 
1 1 1 7  5  4   o 35.780  0.4984 0.4562000      0.9968000 
1 1 1 7  5  5   o 10.500  0.2452 -0.2539000E-01 0.4905000 
1 1 1 7  5  6   o 31.210  0.4754 -0.5871000     0.9507000 
1 1 1 7  5  7   o 55.530  0.8259 2.068000       1.652000  
1 1 1 7  5  8   o 83.840  1.2500 2.316000       2.499000  
1 1 1 7  5  9   o 74.070  1.1040 0.3106000      2.208000  
1 1 1 7  5  10  o 35.990  1.0050 ?              ?         
1 1 1 7  5  11  o 18.890  0.3166 -0.2212000     0.6332000 
1 1 1 7  5  12  o 50.330  0.8989 -1.522000      1.798000  
1 1 1 7  5  13  o 49.280  0.8856 0.6612000      1.771000  
1 1 1 7  5  14  o 34.790  0.8096 ?              ?         
1 1 1 7  5  15  o 43.420  0.7857 -1.294000      1.571000  
1 1 1 7  5  16  o 15.810  0.4212 1.325000       0.8423000 
1 1 1 7  5  17  o 47.090  0.8463 -1.356000      1.693000  
1 1 1 7  5  18  o 40.920  0.7430 -0.7098000E-01 1.486000  
1 1 1 7  5  19  o 47.020  0.9318 0.5664000      1.864000  
1 1 1 7  5  20  o 18.890  0.6735 ?              ?         
1 1 1 7  5  21  o 26.770  0.6904 0.4254000      1.381000  
1 1 1 7  5  22  o 27.170  0.6979 -0.2165000     1.396000  
1 1 1 7  5  23  o 31.290  0.7943 0.8549000      1.589000  
1 1 1 7  5  24  o 6.2110  0.9371 -1.142000      1.874000  
1 1 1 7  5  25  o 13.490  0.5802 -1.139000      1.160000  
1 1 1 7  5  26  o 48.420  1.1930 1.365000       2.386000  
1 1 1 7  5  27  o 24.530  0.6771 -1.044000      1.354000  
1 1 1 7  5  28  o 6.8190  0.9794 -1.115000      1.959000  
1 1 1 7  5  29  o 3.5010  1.0620 -0.3393000     2.125000  
1 1 1 7  5  30  o 19.360  0.6318 -1.953000      1.264000  
1 1 1 7  5  31  o 38.790  0.9772 0.6307000      1.954000  
1 1 1 7  5  32  o 33.310  0.8666 0.7119000      1.733000  
1 1 1 7  5  33  o 28.470  0.7752 0.6695000      1.550000  
1 1 1 7  5  34  o 26.500  0.7459 -0.7782000     1.492000  
1 1 1 7  5  35  o 6.3720  1.2540 1.184000       2.507000  
1 1 1 7  5  36  o 29.760  0.8132 -0.2565000     1.626000  
1 1 1 7  5  37  o 20.980  0.7261 0.2876000E-01  1.452000  
1 1 1 7  5  38  o 4.5870  1.2880 1.603000       2.576000  
1 1 1 7  5  39  o 28.140  0.8170 0.7480000      1.634000  
1 1 1 7  5  40  o 36.600  0.9521 -0.9084000     1.904000  
1 1 1 7  5  41  o 23.600  0.7960 1.177000       1.592000  
1 1 1 7  5  42  f 13.280  1.0060 1.303000       2.012000  
1 1 1 7  5  43  o 29.840  0.8742 -0.3506000     1.748000  
1 1 1 7  5  44  o 52.090  1.3070 0.7520000E-01  2.614000  
1 1 1 7  5  45  f 27.700  0.8688 -1.069000      1.738000  
1 1 1 7  5  46  o 23.490  0.8516 -0.8865000     1.703000  
1 1 1 7  5  47  o 26.250  0.8785 -1.512000      1.757000  
1 1 1 7  5  48  o 12.810  1.2370 3.313000       2.475000  
1 1 1 7  5  49  o 20.500  0.9243 -0.7210000     1.849000  
1 1 1 7  5  50  o 33.720  0.9772 -0.1308000     1.954000  
1 1 1 7  5  51  o 31.120  0.9522 -1.419000      1.904000  
1 1 1 7  5  52  o 7.1010  1.6920 3.082000       3.383000  
1 1 1 7  5  53  o 9.2000  2.0040 2.043000       4.009000  
1 1 1 7  5  54  o 23.570  1.2270 0.1901000      2.455000  
1 1 1 7  5  55  o 23.700  1.2150 0.7629000      2.430000  
1 1 1 7  5  56  o 27.070  1.1860 -0.6579000     2.372000  
1 1 1 7  5  57  o 8.6740  2.1390 0.5807000      4.277000  
1 1 1 7  5  58  o 25.300  1.2330 -4.361000      2.466000  
1 1 1 7  5  59  o 36.730  1.3130 0.1471000E-01  2.625000  
1 1 1 7  5  60  o 32.820  1.2950 0.1302000      2.589000  
1 1 1 7  5  61  o 22.390  1.4710 -0.7681000     2.941000  
1 1 1 7  5  62  o 7.4980  2.1930 -0.9266000     4.386000  
1 1 1 7  5  63  o 29.440  1.3930 -2.919000      2.785000  
1 1 1 7  5  64  o 22.760  1.5090 -1.465000      3.018000  
1 1 1 7  5  65  o 32.950  1.4300 2.186000       2.859000  
1 1 1 7  5  66  o 7.3750  2.2770 -0.2423000     4.553000  
1 1 1 7  5  67  o 6.7730  2.1440 -4.084000      4.287000  
1 1 1 7  5  68  o 12.710  2.5770 -3.546000      5.154000  
1 1 1 7  5  69  o 14.930  2.3370 5.895000       4.673000  
1 1 1 7  5  70  o 8.7250  2.5230 -2.082000      5.045000  
1 1 1 7  5  71  o 18.730  2.2830 2.253000       4.565000  
1 1 1 7  5  72  o 12.200  2.6870 0.1209000      5.373000  
1 1 1 7  5  73  o 17.430  2.3570 3.640000       4.715000  
1 1 1 7  5  74  o 9.8520  2.7130 -2.898000      5.425000  
1 1 1 7  5  75  o 9.0310  2.6440 0.4716000      5.287000  
1 1 1 7  5  76  f 11.660  2.5380 -9.269000      5.075000  
1 1 1 7  5  77  o 7.6560  2.3720 1.650000       4.744000  
1 1 1 7  5  78  o 12.560  2.9620 -0.2988000     5.924000  
1 1 1 7  5  79  o 11.240  2.9280 1.251000       5.856000  
1 1 1 7  5  80  o 7.1820  2.3880 -1.403000      4.775000  
1 1 1 7  5  81  o 8.9440  2.5870 -2.024000      5.174000  
1 1 1 7  5  82  o 6.3670  2.1270 -0.4447000     4.253000  
1 1 1 7  5  83  o 6.3550  2.1310 0.1868000E-01  4.263000  
1 1 1 7  5  84  o 8.3890  2.5730 2.113000       5.145000  
1 1 1 7  5  85  o 5.6530  1.9870 1.069000       3.974000  
1 1 1 7  5  86  o 6.2380  2.1490 0.6572000      4.299000  
1 1 1 7  5  87  o 6.1880  2.1200 1.650000       4.240000  
1 1 1 7  5  88  o 6.2520  2.1010 0.3350000      4.202000  
1 1 1 7  5  89  o 7.5370  2.3990 -1.131000      4.798000  
1 1 1 7  5  90  o 5.5620  1.9350 -0.9163000     3.870000  
1 1 1 7  5  91  o 5.5070  1.9290 0.5909000      3.857000  
1 1 1 7  5  92  o 5.6850  1.9840 -0.3088000     3.967000  
1 1 1 7  5  93  o 5.3450  1.8660 1.310000       3.733000  
1 1 1 7  5  94  o 5.1850  1.8050 -0.7171000     3.609000  
1 1 1 7  5  95  o 4.3760  1.5600 0.2132000      3.120000  
1 1 1 7  5  96  o 4.2000  1.4740 0.5981000      2.947000  
1 1 1 7  5  97  o 4.8610  2.3090 ?              ?         
1 1 1 7  6  0   o 25.680  0.5219 -0.000000      0.000000  
1 1 1 7  6  1   f 5.9290  0.3904 -2.369000      0.7807000 
1 1 1 7  6  2   o 56.160  0.7761 0.3488000      1.552000  
1 1 1 7  6  3   o 25.310  0.3638 -0.7896000     0.7276000 
1 1 1 7  6  4   o 7.8570  0.3108 -1.625000      0.6216000 
1 1 1 7  6  5   o 20.280  0.3050 -0.3096000     0.6099000 
1 1 1 7  6  6   o 22.010  0.3252 -0.6573000     0.6503000 
1 1 1 7  6  7   o 37.330  0.5208 0.2303000      1.042000  
1 1 1 7  6  8   f 42.120  0.6310 0.8228000      1.262000  
1 1 1 7  6  9   o 15.220  0.3396 -1.565000      0.6792000 
1 1 1 7  6  10  o 27.100  0.4196 1.020000       0.8391000 
1 1 1 7  6  11  o 22.020  0.3540 -0.2244000     0.7079000 
1 1 1 7  6  12  o 32.700  0.4999 -0.1597000E-01 0.9998000 
1 1 1 7  6  13  o 11.990  0.2979 -1.310000      0.5957000 
1 1 1 7  6  14  o 39.740  0.6452 -0.3417000     1.290000  
1 1 1 7  6  15  o 39.800  0.7230 -0.3613000     1.446000  
1 1 1 7  6  16  o 23.220  0.4643 2.170000       0.9286000 
1 1 1 7  6  17  f 11.300  0.3807 -0.5938000     0.7614000 
1 1 1 7  6  18  o 12.940  0.3787 1.026000       0.7574000 
1 1 1 7  6  19  o 43.840  0.7974 0.2170000      1.595000  
1 1 1 7  6  20  o 27.720  0.5345 0.2856000      1.069000  
1 1 1 7  6  21  o 27.710  0.5347 -0.8660000     1.069000  
1 1 1 7  6  22  o 36.900  0.7511 0.1311000      1.502000  
1 1 1 7  6  23  o 31.570  0.6597 -0.2157000     1.319000  
1 1 1 7  6  24  o 36.940  0.7560 -0.2831000     1.512000  
1 1 1 7  6  25  o 39.560  0.8083 0.5469000      1.617000  
1 1 1 7  6  26  o 19.880  0.6822 -0.7938000E-01 1.364000  
1 1 1 7  6  27  o 21.460  0.5419 -1.990000      1.084000  
1 1 1 7  6  28  o 9.5150  0.7093 0.9743000      1.419000  
1 1 1 7  6  29  o 17.840  0.6174 0.5266000      1.235000  
1 1 1 7  6  30  o 5.0470  1.1790 -1.153000      2.358000  
1 1 1 7  6  31  o 27.950  0.7576 -0.4382000     1.515000  
1 1 1 7  6  32  o 27.950  0.7660 0.1250000E-01  1.532000  
1 1 1 7  6  33  o 33.370  0.8675 -0.4615000     1.735000  
1 1 1 7  6  34  f 20.350  0.7029 0.9050000      1.406000  
1 1 1 7  6  35  f 41.440  1.0450 -0.8907000E-01 2.090000  
1 1 1 7  6  36  o 18.340  0.7121 1.128000       1.424000  
1 1 1 7  6  37  f 18.770  0.7315 -0.8688000E-01 1.463000  
1 1 1 7  6  38  o 24.510  0.7552 0.1494000      1.510000  
1 1 1 7  6  39  o 23.470  0.7559 1.139000       1.512000  
1 1 1 7  6  40  o 11.180  1.0070 -0.4441000     2.014000  
1 1 1 7  6  41  o 11.610  1.0710 0.4890000      2.142000  
1 1 1 7  6  42  o 22.390  0.7905 -0.8102000     1.581000  
1 1 1 7  6  43  o 40.660  1.0590 0.6113000      2.119000  
1 1 1 7  6  44  o 18.680  0.8632 -1.823000      1.726000  
1 1 1 7  6  45  o 50.280  1.2770 2.164000       2.555000  
1 1 1 7  6  46  o 31.910  0.9357 2.139000       1.871000  
1 1 1 7  6  47  o 36.440  1.0040 -1.440000      2.008000  
1 1 1 7  6  48  o 18.800  0.9728 -1.636000      1.946000  
1 1 1 7  6  49  o 40.050  1.0860 0.3660000      2.172000  
1 1 1 7  6  50  o 46.820  1.2130 -0.6659000E-01 2.426000  
1 1 1 7  6  51  o 22.040  0.9336 -0.3065000     1.867000  
1 1 1 7  6  52  o 44.040  1.1730 0.6508000      2.346000  
1 1 1 7  6  53  o 52.490  1.3370 -1.984000      2.673000  
1 1 1 7  6  54  f 13.580  1.5070 -3.744000      3.013000  
1 1 1 7  6  55  o 38.180  1.0930 0.5065000      2.186000  
1 1 1 7  6  56  o 16.940  1.2170 -0.1651000     2.434000  
1 1 1 7  6  57  o 18.770  1.1950 1.250000       2.389000  
1 1 1 7  6  58  o 35.970  1.1010 0.1855000      2.202000  
1 1 1 7  6  59  o 8.9970  2.1250 -5.766000      4.251000  
1 1 1 7  6  60  o 9.1330  2.2340 1.035000       4.468000  
1 1 1 7  6  61  o 26.030  1.3070 -1.718000      2.613000  
1 1 1 7  6  62  o 10.390  2.3080 1.945000       4.616000  
1 1 1 7  6  63  o 14.830  2.0950 -1.273000      4.189000  
1 1 1 7  6  64  o 31.090  1.4040 3.219000       2.808000  
1 1 1 7  6  65  o 19.010  1.8140 2.088000       3.629000  
1 1 1 7  6  66  o 12.390  2.5210 1.460000       5.041000  
1 1 1 7  6  67  o 7.9730  2.3560 -0.1347000     4.711000  
1 1 1 7  6  68  o 8.1030  2.4270 -0.5356000     4.855000  
1 1 1 7  6  69  o 30.700  1.5060 -1.960000      3.012000  
1 1 1 7  6  70  o 9.9030  2.6100 0.1184000      5.220000  
1 1 1 7  6  71  o 7.4230  2.3320 1.332000       4.664000  
1 1 1 7  6  72  o 7.8950  2.3590 -3.925000      4.718000  
1 1 1 7  6  73  f 6.9220  2.2390 1.035000       4.478000  
1 1 1 7  6  74  o 15.630  2.5290 0.6480000E-01  5.057000  
1 1 1 7  6  75  o 10.150  2.6380 -0.3053000     5.275000  
1 1 1 7  6  76  o 8.1530  2.4580 0.9948000      4.916000  
1 1 1 7  6  77  o 11.680  2.8110 2.190000       5.622000  
1 1 1 7  6  78  o 8.7170  2.5590 -0.5203000     5.118000  
1 1 1 7  6  79  o 7.3810  2.3630 -2.725000      4.727000  
1 1 1 7  6  80  o 6.5990  2.2050 0.2333000      4.410000  
1 1 1 7  6  81  o 8.6710  2.5870 0.7996000      5.173000  
1 1 1 7  6  82  o 6.2920  2.1390 -0.6247000     4.279000  
1 1 1 7  6  83  o 5.7130  1.9770 -0.3490000     3.954000  
1 1 1 7  6  84  o 6.9990  2.2840 1.780000       4.567000  
1 1 1 7  6  85  o 7.5720  2.4610 1.552000       4.921000  
1 1 1 7  6  86  o 6.5820  2.2230 -0.3377000E-01 4.446000  
1 1 1 7  6  87  o 6.1230  2.0720 -1.833000      4.143000  
1 1 1 7  6  88  f 4.9480  1.7390 -0.3248000     3.477000  
1 1 1 7  6  89  o 5.7020  1.9630 -1.159000      3.926000  
1 1 1 7  6  90  o 6.4480  2.1680 1.426000       4.336000  
1 1 1 7  6  91  o 5.4470  1.9190 0.8753000      3.839000  
1 1 1 7  6  92  o 5.6080  1.9620 0.5233000      3.923000  
1 1 1 7  6  93  o 5.0950  1.7900 -0.6679000     3.579000  
1 1 1 7  6  94  f 4.4180  1.5860 -1.104000      3.173000  
1 1 1 7  6  95  o 5.0490  1.7390 0.6993000      3.479000  
1 1 1 7  6  96  o 4.9100  1.6110 0.8364000      3.222000  
1 1 1 7  7  0   o 19.200  0.4809 0.000000       0.000000  
1 1 1 7  7  1   o 51.570  0.7125 0.2617000E-01  1.425000  
1 1 1 7  7  2   o 21.260  0.3447 -1.251000      0.6894000 
1 1 1 7  7  3   o 44.490  0.6168 0.4151000      1.234000  
1 1 1 7  7  4   o 66.410  0.9177 0.6250000      1.835000  
1 1 1 7  7  5   o 59.940  0.8281 0.1056000      1.656000  
1 1 1 7  7  6   o 36.280  0.5109 -0.1541000     1.022000  
1 1 1 7  7  7   o 26.090  0.3788 0.4360000      0.7575000 
1 1 1 7  7  8   o 50.930  0.7060 0.5600000      1.412000  
1 1 1 7  7  9   o 37.130  0.5222 -0.8593000     1.044000  
1 1 1 7  7  10  o 19.330  0.3283 0.5129000      0.6566000 
1 1 1 7  7  11  o 15.730  0.2976 0.4938000      0.5953000 
1 1 1 7  7  12  o 26.520  0.4499 -0.1340000     0.8999000 
1 1 1 7  7  13  o 30.490  0.4717 -0.6733000     0.9433000 
1 1 1 7  7  14  o 65.860  0.9869 0.4224000      1.974000  
1 1 1 7  7  15  o 42.680  0.6464 0.1078000      1.293000  
1 1 1 7  7  16  o 53.150  0.8546 -0.2828000     1.709000  
1 1 1 7  7  17  o 45.320  0.7338 0.8167000      1.468000  
1 1 1 7  7  18  o 38.180  0.7018 1.403000       1.404000  
1 1 1 7  7  19  o 19.860  0.4387 -0.5230000     0.8773000 
1 1 1 7  7  20  o 20.770  0.4419 1.349000       0.8839000 
1 1 1 7  7  21  o 15.630  0.4011 1.288000       0.8023000 
1 1 1 7  7  22  o 27.590  0.5370 0.3734000      1.074000  
1 1 1 7  7  23  f 38.220  0.7070 0.5802000E-01  1.414000  
1 1 1 7  7  24  o 29.530  0.5731 -0.8760000     1.146000  
1 1 1 7  7  25  o 20.880  0.5325 -0.7776000E-02 1.065000  
1 1 1 7  7  26  f 29.200  0.6347 0.2136000E-01  1.269000  
1 1 1 7  7  27  o 23.930  0.5724 0.1315000      1.145000  
1 1 1 7  7  28  o 16.610  0.5493 0.1031000      1.099000  
1 1 1 7  7  29  o 44.880  0.9115 0.3527000      1.823000  
1 1 1 7  7  30  o 30.460  0.6742 0.5261000      1.348000  
1 1 1 7  7  31  o 21.800  0.5822 -0.2382000     1.164000  
1 1 1 7  7  32  o 26.260  0.6313 -0.3146000     1.263000  
1 1 1 7  7  33  o 38.560  0.8105 0.2321000      1.621000  
1 1 1 7  7  34  o 21.360  0.6080 0.3129000      1.216000  
1 1 1 7  7  35  o 23.540  0.6233 -0.1209000     1.247000  
1 1 1 7  7  36  o 31.140  0.8370 -0.2708000     1.674000  
1 1 1 7  7  37  o 37.040  0.9574 0.4282000E-01  1.915000  
1 1 1 7  7  38  o 16.530  0.7873 -1.155000      1.575000  
1 1 1 7  7  39  o 23.630  0.7696 -0.7600000     1.539000  
1 1 1 7  7  40  o 17.940  0.8124 -0.2032000E-01 1.625000  
1 1 1 7  7  41  o 58.930  1.4570 -0.1822000     2.914000  
1 1 1 7  7  42  o 27.780  0.8440 -0.4514000     1.688000  
1 1 1 7  7  43  o 13.550  1.0090 -0.1065000     2.019000  
1 1 1 7  7  44  o 4.9280  1.4360 0.9401000      2.871000  
1 1 1 7  7  45  f 11.680  1.2310 -1.646000      2.462000  
1 1 1 7  7  46  o 34.350  0.9450 -0.7211000     1.890000  
1 1 1 7  7  47  o 25.430  0.8934 0.5492000      1.787000  
1 1 1 7  7  48  o 40.380  1.0870 1.515000       2.174000  
1 1 1 7  7  49  o 23.600  0.9290 1.419000       1.858000  
1 1 1 7  7  50  o 47.210  1.2340 1.673000       2.469000  
1 1 1 7  7  51  o 37.300  1.0540 1.937000       2.108000  
1 1 1 7  7  52  o 25.740  0.9427 1.683000       1.885000  
1 1 1 7  7  53  o 23.380  0.9880 0.2690000      1.976000  
1 1 1 7  7  54  o 42.880  1.1590 -0.5952000     2.318000  
1 1 1 7  7  55  o 25.780  1.0160 -2.851000      2.033000  
1 1 1 7  7  56  o 38.950  1.1220 1.018000       2.244000  
1 1 1 7  7  57  o 16.830  1.2580 -0.5828000     2.517000  
1 1 1 7  7  58  o 34.380  1.0690 -1.781000      2.138000  
1 1 1 7  7  59  o 20.600  1.2180 -1.068000      2.436000  
1 1 1 7  7  60  o 23.040  1.1460 -2.730000      2.292000  
1 1 1 7  7  61  o 23.090  1.1960 0.5063000      2.393000  
1 1 1 7  7  62  o 30.370  1.1250 0.1581000      2.250000  
1 1 1 7  7  63  o 22.110  1.2260 -2.876000      2.452000  
1 1 1 7  7  64  o 15.740  2.0610 -0.9641000     4.122000  
1 1 1 7  7  65  o 8.0090  2.3280 -1.375000      4.657000  
1 1 1 7  7  66  o 11.660  2.4740 -3.661000      4.949000  
1 1 1 7  7  67  o 8.2850  2.3640 -2.101000      4.729000  
1 1 1 7  7  68  o 11.200  2.5550 1.332000       5.111000  
1 1 1 7  7  69  f 7.8490  2.3370 -0.9896000     4.675000  
1 1 1 7  7  70  o 11.190  2.5280 3.483000       5.056000  
1 1 1 7  7  71  o 8.0230  2.4120 0.7602000      4.823000  
1 1 1 7  7  72  o 12.620  2.6600 0.8598000      5.320000  
1 1 1 7  7  73  o 7.4610  2.3620 -1.915000      4.725000  
1 1 1 7  7  74  o 7.6110  2.3780 -0.8000000     4.756000  
1 1 1 7  7  75  o 9.3690  2.6510 -0.3113000E-01 5.302000  
1 1 1 7  7  76  o 6.1070  2.0770 0.3017000      4.155000  
1 1 1 7  7  77  o 7.9040  2.4580 -3.972000      4.915000  
1 1 1 7  7  78  o 10.090  2.8060 -1.462000      5.613000  
1 1 1 7  7  79  o 6.8750  2.3080 -2.844000      4.617000  
1 1 1 7  7  80  o 10.780  2.7090 2.319000       5.419000  
1 1 1 7  7  81  o 6.6970  2.1940 1.521000       4.388000  
1 1 1 7  7  82  o 7.5240  2.4010 0.9752000      4.803000  
1 1 1 7  7  83  o 6.9500  2.3300 -1.708000      4.660000  
1 1 1 7  7  84  f 8.4220  2.5940 -0.3788000     5.189000  
1 1 1 7  7  85  o 6.0460  2.0670 1.197000       4.134000  
1 1 1 7  7  86  o 6.7260  2.2280 -2.009000      4.455000  
1 1 1 7  7  87  o 6.4850  2.1570 1.459000       4.313000  
1 1 1 7  7  88  o 6.0600  2.0200 1.989000       4.039000  
1 1 1 7  7  89  o 5.4760  1.9050 -0.1156000     3.811000  
1 1 1 7  7  90  o 6.1280  2.0890 0.6391000E-01  4.179000  
1 1 1 7  7  91  f 6.0930  2.1010 0.3840000      4.202000  
1 1 1 7  7  92  o 4.6910  1.6720 0.9472000E-01  3.345000  
1 1 1 7  7  93  o 5.1010  1.7890 0.2048000      3.579000  
1 1 1 7  7  94  o 4.6180  1.6230 0.1417000      3.246000  
1 1 1 7  7  95  o 3.6020  1.2860 -0.1876000     2.573000  
1 1 1 7  7  96  o 4.2660  1.4720 0.5241000E-01  2.944000  
1 1 1 7  8  0   o 25.420  0.5244 -0.000000      0.000000  
1 1 1 7  8  1   o 59.050  0.8160 -0.1372000     1.632000  
1 1 1 7  8  2   o 25.600  0.4023 1.138000       0.8046000 
1 1 1 7  8  3   o 23.640  0.3488 -0.8243000     0.6976000 
1 1 1 7  8  4   o 52.420  0.7257 0.8568000E-01  1.451000  
1 1 1 7  8  5   o 36.360  0.5561 -2.999000      1.112000  
1 1 1 7  8  6   o 46.750  0.6504 0.1457000      1.301000  
1 1 1 7  8  7   o 24.940  0.3972 0.1021000      0.7945000 
1 1 1 7  8  8   o 57.110  0.7925 1.647000       1.585000  
1 1 1 7  8  9   o 39.440  0.5535 -0.8906000E-01 1.107000  
1 1 1 7  8  10  o 40.900  0.5741 -0.5114000     1.148000  
1 1 1 7  8  11  o 9.3660  0.3380 -0.9285000     0.6761000 
1 1 1 7  8  12  o 31.380  0.4854 0.3166000      0.9709000 
1 1 1 7  8  13  o 17.990  0.3272 1.185000       0.6545000 
1 1 1 7  8  14  o 17.420  0.3224 -0.7007000     0.6449000 
1 1 1 7  8  15  o 47.730  0.7205 0.3150000      1.441000  
1 1 1 7  8  16  o 21.780  0.3997 -0.5938000E-01 0.7993000 
1 1 1 7  8  17  o 35.170  0.5426 0.3967000      1.085000  
1 1 1 7  8  18  o 48.550  0.7849 -0.5080000     1.570000  
1 1 1 7  8  19  f 73.610  1.1900 -0.2357000     2.380000  
1 1 1 7  8  20  o 10.410  0.4842 -0.3531000     0.9685000 
1 1 1 7  8  21  o 26.500  0.5226 0.8331000      1.045000  
1 1 1 7  8  22  f 24.390  0.5005 2.093000       1.001000  
1 1 1 7  8  23  o 34.860  0.6520 -0.3950000     1.304000  
1 1 1 7  8  24  o 27.100  0.5394 0.5661000      1.079000  
1 1 1 7  8  25  o 31.440  0.6073 -0.1386000     1.215000  
1 1 1 7  8  26  o 42.870  0.7923 0.3983000      1.585000  
1 1 1 7  8  27  o 28.160  0.5680 1.596000       1.136000  
1 1 1 7  8  28  o 19.870  0.5575 1.564000       1.115000  
1 1 1 7  8  29  o 27.490  0.6334 -0.4537000     1.267000  
1 1 1 7  8  30  o 26.790  0.6284 2.248000       1.257000  
1 1 1 7  8  31  o 5.9940  1.3860 -0.2723000     2.771000  
1 1 1 7  8  32  f 11.160  0.7362 -0.4043000     1.472000  
1 1 1 7  8  33  o 24.040  0.6216 0.4299000      1.243000  
1 1 1 7  8  34  o 22.730  0.6158 0.3914000E-01  1.232000  
1 1 1 7  8  35  o 29.250  0.6800 0.1227000      1.360000  
1 1 1 7  8  36  o 16.270  0.6739 -1.389000      1.348000  
1 1 1 7  8  37  o 53.180  1.0760 0.6946000      2.153000  
1 1 1 7  8  38  o 37.120  0.8063 1.322000       1.613000  
1 1 1 7  8  39  o 40.110  0.8584 0.5458000      1.717000  
1 1 1 7  8  40  o 25.320  0.6903 1.018000       1.381000  
1 1 1 7  8  41  o 39.690  0.8530 0.6808000      1.706000  
1 1 1 7  8  42  o 28.150  0.8534 2.426000       1.707000  
1 1 1 7  8  43  o 42.090  1.0850 -0.6185000     2.170000  
1 1 1 7  8  44  o 14.600  0.9869 2.879000       1.974000  
1 1 1 7  8  45  o 24.970  0.8526 -2.494000      1.705000  
1 1 1 7  8  46  o 33.440  0.9462 0.6074000E-01  1.892000  
1 1 1 7  8  47  f 16.690  0.9877 -1.315000      1.975000  
1 1 1 7  8  48  o 36.820  1.0050 -0.5205000     2.011000  
1 1 1 7  8  49  o 24.570  0.8965 -0.5409000     1.793000  
1 1 1 7  8  50  o 29.220  0.9279 0.5276000      1.856000  
1 1 1 7  8  51  o 7.3880  1.8170 1.275000       3.634000  
1 1 1 7  8  52  o 15.280  1.1960 0.2984000      2.392000  
1 1 1 7  8  53  o 12.100  1.5030 0.8242000      3.007000  
1 1 1 7  8  54  o 33.940  1.0290 0.6430000      2.058000  
1 1 1 7  8  55  o 8.9420  1.8070 -3.482000      3.615000  
1 1 1 7  8  56  o 9.6840  1.8280 2.098000       3.656000  
1 1 1 7  8  57  o 14.860  1.3970 0.2207000      2.794000  
1 1 1 7  8  58  o 23.050  1.0900 -0.4637000     2.181000  
1 1 1 7  8  59  o 17.490  1.3520 -3.134000      2.705000  
1 1 1 7  8  60  f 13.090  1.7780 4.747000       3.555000  
1 1 1 7  8  61  o 5.6600  1.8030 -0.7433000E-01 3.606000  
1 1 1 7  8  62  o 9.5330  1.9430 6.604000       3.886000  
1 1 1 7  8  63  o 14.910  1.7490 -1.707000      3.497000  
1 1 1 7  8  64  o 17.830  1.5560 -2.188000      3.112000  
1 1 1 7  8  65  o 8.2650  2.1840 2.729000       4.368000  
1 1 1 7  8  66  o 10.160  2.2190 2.338000       4.438000  
1 1 1 7  8  67  o 6.4450  2.0090 0.7136000      4.017000  
1 1 1 7  8  68  o 9.2920  2.3380 1.987000       4.676000  
1 1 1 7  8  69  o 13.880  2.4770 1.705000       4.954000  
1 1 1 7  8  70  o 8.8840  2.5050 0.3898000      5.010000  
1 1 1 7  8  71  o 10.970  2.6390 -1.317000      5.278000  
1 1 1 7  8  72  o 15.130  2.4700 2.570000       4.940000  
1 1 1 7  8  73  o 10.900  2.5600 -3.195000      5.121000  
1 1 1 7  8  74  o 8.1580  2.4740 -0.7123000     4.948000  
1 1 1 7  8  75  o 16.200  2.4790 2.007000       4.957000  
1 1 1 7  8  76  o 9.0350  2.6460 -0.1188000     5.292000  
1 1 1 7  8  77  o 8.0870  2.5230 -1.663000      5.046000  
1 1 1 7  8  78  o 8.5880  2.5900 -0.7417000     5.180000  
1 1 1 7  8  79  f 6.8490  2.2790 -1.725000      4.559000  
1 1 1 7  8  80  o 7.9590  2.4460 1.418000       4.892000  
1 1 1 7  8  81  o 7.9080  2.4570 0.1615000      4.914000  
1 1 1 7  8  82  o 6.7430  2.2620 -0.3458000     4.523000  
1 1 1 7  8  83  o 6.3560  2.1550 0.4552000      4.310000  
1 1 1 7  8  84  o 5.8830  2.0260 -1.038000      4.051000  
1 1 1 7  8  85  o 5.5150  1.8990 1.817000       3.798000  
1 1 1 7  8  86  o 6.7470  2.1810 -1.691000      4.362000  
1 1 1 7  8  87  o 5.3040  1.8530 -0.2603000     3.705000  
1 1 1 7  8  88  o 4.8720  1.7270 -0.3833000     3.454000  
1 1 1 7  8  89  o 5.8800  2.0270 -1.060000      4.055000  
1 1 1 7  8  90  o 5.0540  1.7920 0.3704000      3.583000  
1 1 1 7  8  91  o 5.7510  1.9730 -0.1642000     3.947000  
1 1 1 7  8  92  o 4.8610  1.7150 -0.6863000     3.429000  
1 1 1 7  8  93  o 4.5620  1.6230 -1.129000      3.246000  
1 1 1 7  8  94  o 4.1500  1.4600 -0.3158000     2.921000  
1 1 1 7  8  95  o 4.6610  1.5850 -0.2863000     3.171000  
1 1 1 7  9  0   o 15.400  0.4491 0.000000       0.000000  
1 1 1 7  9  1   o 41.080  0.5742 -0.3060000     1.148000  
1 1 1 7  9  2   f 15.850  0.2991 1.447000       0.5982000 
1 1 1 7  9  3   o 33.670  0.4758 0.7154000      0.9515000 
1 1 1 7  9  4   o 44.780  0.6233 0.6385000      1.247000  
1 1 1 7  9  5   o 41.480  0.5790 -0.8768000     1.158000  
1 1 1 7  9  6   o 21.700  0.3844 0.6265000E-01  0.7688000 
1 1 1 7  9  7   o 31.440  0.4479 -0.2269000     0.8959000 
1 1 1 7  9  8   o 51.600  0.7183 0.6684000      1.437000  
1 1 1 7  9  9   o 33.210  0.5111 1.958000       1.022000  
1 1 1 7  9  10  o 45.190  0.6304 0.1574000      1.261000  
1 1 1 7  9  11  o 42.720  0.5979 0.3168000      1.196000  
1 1 1 7  9  12  o 19.090  0.3688 0.2392000E-01  0.7376000 
1 1 1 7  9  13  o 41.170  0.6314 2.329000       1.263000  
1 1 1 7  9  14  o 30.100  0.5091 -2.991000      1.018000  
1 1 1 7  9  15  o 40.290  0.6140 -0.2249000     1.228000  
1 1 1 7  9  16  o 15.100  0.3919 0.1332000      0.7837000 
1 1 1 7  9  17  o 28.250  0.4503 -0.3345000     0.9007000 
1 1 1 7  9  18  o 22.900  0.3910 -1.009000      0.7819000 
1 1 1 7  9  19  o 24.910  0.4158 0.3901000      0.8316000 
1 1 1 7  9  20  o 29.540  0.5068 0.6000000      1.014000  
1 1 1 7  9  21  o 33.650  0.5662 -1.066000      1.132000  
1 1 1 7  9  22  o 27.310  0.4835 -0.2032000     0.9670000 
1 1 1 7  9  23  o 21.580  0.4241 0.5696000      0.8482000 
1 1 1 7  9  24  o 9.4990  0.5724 -0.7024000     1.145000  
1 1 1 7  9  25  f 22.850  0.4982 0.4918000      0.9963000 
1 1 1 7  9  26  o 17.710  0.4734 -0.9445000     0.9469000 
1 1 1 7  9  27  o 15.190  0.5591 -0.5143000     1.118000  
1 1 1 7  9  28  o 26.250  0.6132 0.1693000      1.226000  
1 1 1 7  9  29  o 15.020  0.4929 1.015000       0.9857000 
1 1 1 7  9  30  o 26.980  0.5625 -1.459000      1.125000  
1 1 1 7  9  31  o 10.130  0.6468 2.120000       1.294000  
1 1 1 7  9  32  o 21.890  0.6000 0.6451000      1.200000  
1 1 1 7  9  33  o 28.450  0.6671 0.5598000      1.334000  
1 1 1 7  9  34  f 5.4860  1.2920 0.8598000      2.583000  
1 1 1 7  9  35  o 30.850  0.7074 -1.202000      1.415000  
1 1 1 7  9  36  o 17.670  0.6785 1.329000       1.357000  
1 1 1 7  9  37  f 28.810  0.6972 0.6218000      1.394000  
1 1 1 7  9  38  o 17.000  0.6950 0.8848000      1.390000  
1 1 1 7  9  39  o 48.490  0.9977 0.5480000      1.995000  
1 1 1 7  9  40  o 66.490  1.3330 -1.729000      2.665000  
1 1 1 7  9  41  o 22.580  0.7173 2.375000       1.435000  
1 1 1 7  9  42  o 16.870  0.7721 0.9496000      1.544000  
1 1 1 7  9  43  o 25.260  0.7396 0.4116000      1.479000  
1 1 1 7  9  44  o 7.8190  1.4770 -0.7102000     2.954000  
1 1 1 7  9  45  o 8.9390  1.3770 -1.651000      2.754000  
1 1 1 7  9  46  o 10.090  1.2840 1.915000       2.567000  
1 1 1 7  9  47  o 31.910  0.7932 -0.9750000E-01 1.586000  
1 1 1 7  9  48  o 51.110  1.3080 0.8139000      2.616000  
1 1 1 7  9  49  o 16.980  1.0700 1.974000       2.140000  
1 1 1 7  9  50  o 7.0830  1.7560 0.2651000      3.512000  
1 1 1 7  9  51  o 5.3990  1.6420 0.1233000E-01  3.284000  
1 1 1 7  9  52  o 20.590  0.9985 0.5723000E-01  1.997000  
1 1 1 7  9  53  o 18.190  1.1080 1.406000       2.216000  
1 1 1 7  9  54  o 15.720  1.2680 1.514000       2.535000  
1 1 1 7  9  55  o 9.1580  1.8800 -1.179000      3.760000  
1 1 1 7  9  56  o 5.7560  2.4300 ?              ?         
1 1 1 7  9  57  o 5.5810  1.7300 0.7640000      3.459000  
1 1 1 7  9  58  o 16.420  1.4200 -0.2223000     2.840000  
1 1 1 7  9  59  o 15.410  1.5040 -1.084000      3.008000  
1 1 1 7  9  60  o 20.330  1.3270 -3.928000      2.655000  
1 1 1 7  9  61  o 11.720  1.9240 -2.222000      3.849000  
1 1 1 7  9  62  o 8.3170  2.1080 0.1483000      4.217000  
1 1 1 7  9  63  o 21.180  1.3590 0.7653000      2.718000  
1 1 1 7  9  64  o 11.450  2.1200 0.1251000E-01  4.240000  
1 1 1 7  9  65  o 20.560  1.4170 -3.674000      2.834000  
1 1 1 7  9  66  o 11.730  2.1910 0.8335000E-01  4.382000  
1 1 1 7  9  67  o 7.8650  2.1670 -1.027000      4.335000  
1 1 1 7  9  68  o 9.3020  2.3080 -1.078000      4.616000  
1 1 1 7  9  69  o 12.610  2.1610 5.605000       4.323000  
1 1 1 7  9  70  o 26.150  1.3540 -1.658000      2.707000  
1 1 1 7  9  71  o 16.890  1.8460 -0.3871000E-01 3.691000  
1 1 1 7  9  72  o 7.4720  2.1500 -2.561000      4.301000  
1 1 1 7  9  73  o 8.5620  2.3380 0.9124000      4.677000  
1 1 1 7  9  74  o 14.300  2.6130 0.3908000      5.226000  
1 1 1 7  9  75  o 9.0890  2.5910 -1.797000      5.181000  
1 1 1 7  9  76  o 7.6220  2.4190 -0.4178000     4.839000  
1 1 1 7  9  77  o 8.2850  2.5170 -4.084000      5.034000  
1 1 1 7  9  78  f 9.5460  2.5290 2.924000       5.059000  
1 1 1 7  9  79  o 7.7810  2.4130 -4.617000      4.826000  
1 1 1 7  9  80  o 6.9820  2.2770 -0.5643000E-01 4.554000  
1 1 1 7  9  81  f 7.8600  2.4440 0.5797000      4.889000  
1 1 1 7  9  82  o 6.6470  2.2450 -1.093000      4.491000  
1 1 1 7  9  83  f 6.9440  2.2780 0.7124000      4.555000  
1 1 1 7  9  84  o 5.9620  2.0000 1.238000       4.000000  
1 1 1 7  9  85  o 6.0260  2.0360 0.1100000      4.072000  
1 1 1 7  9  86  o 5.5360  1.9140 -0.2731000E-01 3.827000  
1 1 1 7  9  87  o 5.3860  1.8770 0.1599000      3.754000  
1 1 1 7  9  88  o 5.1010  1.8170 -1.681000      3.635000  
1 1 1 7  9  89  o 5.3070  1.8680 0.3118000      3.736000  
1 1 1 7  9  90  o 5.1160  1.7950 0.6292000      3.591000  
1 1 1 7  9  91  o 5.4170  1.8680 -0.1914000     3.736000  
1 1 1 7  9  92  f 4.9140  1.7230 -0.7166000     3.445000  
1 1 1 7  9  93  o 3.7370  1.3430 0.4175000      2.686000  
1 1 1 7  9  94  o 4.6640  1.6050 1.021000       3.209000  
1 1 1 7  10 0   o 33.600  0.6744 0.000000       0.000000  
1 1 1 7  10 1   o 12.000  0.3623 -1.324000      0.7247000 
1 1 1 7  10 2   o 35.470  0.5400 -0.7015000     1.080000  
1 1 1 7  10 3   o 43.560  0.6077 0.3860000      1.215000  
1 1 1 7  10 4   o 30.190  0.4696 0.6381000      0.9393000 
1 1 1 7  10 5   o 15.090  0.3264 -0.8482000     0.6527000 
1 1 1 7  10 6   o 16.120  0.2889 0.1381000      0.5778000 
1 1 1 7  10 7   o 50.140  0.6983 0.6257000      1.397000  
1 1 1 7  10 8   o 17.030  0.4137 -3.588000      0.8275000 
1 1 1 7  10 9   o 40.000  0.5625 0.3357000      1.125000  
1 1 1 7  10 10  o 43.140  0.6046 0.6449000      1.209000  
1 1 1 7  10 11  o 27.420  0.4049 -1.389000      0.8099000 
1 1 1 7  10 12  o 19.050  0.3197 -0.7984000     0.6395000 
1 1 1 7  10 13  o 37.810  0.5361 -0.8995000E-02 1.072000  
1 1 1 7  10 14  o 37.390  0.5304 1.261000       1.061000  
1 1 1 7  10 15  o 10.260  0.3771 -0.7889000     0.7543000 
1 1 1 7  10 16  o 47.360  0.7187 -1.282000      1.437000  
1 1 1 7  10 17  o 20.150  0.4426 0.9708000      0.8851000 
1 1 1 7  10 18  o 28.040  0.4548 0.2933000      0.9096000 
1 1 1 7  10 19  o 33.610  0.5261 0.4560000      1.052000  
1 1 1 7  10 20  o 23.910  0.4408 -1.873000      0.8816000 
1 1 1 7  10 21  o 38.830  0.6034 -2.183000      1.207000  
1 1 1 7  10 22  o 51.950  0.8440 -1.518000      1.688000  
1 1 1 7  10 23  o 25.660  0.5456 -0.7775000     1.091000  
1 1 1 7  10 24  o 31.570  0.5482 -0.4759000     1.096000  
1 1 1 7  10 25  o 14.070  0.6786 ?              ?         
1 1 1 7  10 26  o 12.950  0.4417 -0.4257000     0.8834000 
1 1 1 7  10 27  o 35.360  0.6760 0.4510000      1.352000  
1 1 1 7  10 28  o 42.440  0.7870 -0.5942000E-01 1.574000  
1 1 1 7  10 29  o 46.340  0.8537 -0.7991000     1.707000  
1 1 1 7  10 30  o 42.680  0.8809 0.5745000      1.762000  
1 1 1 7  10 31  f 48.530  0.8940 -0.8766000     1.788000  
1 1 1 7  10 32  o 11.510  0.7737 ?              ?         
1 1 1 7  10 33  o 17.710  0.5421 0.6573000      1.084000  
1 1 1 7  10 34  o 28.630  0.6063 0.4335000      1.213000  
1 1 1 7  10 35  o 42.170  0.8816 0.2542000      1.763000  
1 1 1 7  10 36  o 37.250  0.8087 0.3382000      1.617000  
1 1 1 7  10 37  o 38.110  0.8215 0.1973000      1.643000  
1 1 1 7  10 38  o 19.650  0.6762 0.1891000      1.352000  
1 1 1 7  10 39  o 13.830  0.8250 0.5762000      1.650000  
1 1 1 7  10 40  o 34.830  0.7877 0.1542000E-01  1.575000  
1 1 1 7  10 41  o 33.280  0.7695 0.9603000      1.539000  
1 1 1 7  10 42  o 29.900  0.7408 0.1781000      1.482000  
1 1 1 7  10 43  o 5.2330  1.4360 -2.264000      2.873000  
1 1 1 7  10 44  o 35.830  0.8238 0.5752000      1.648000  
1 1 1 7  10 45  o 20.510  0.7773 -1.073000      1.555000  
1 1 1 7  10 46  o 18.670  0.8406 -1.122000      1.681000  
1 1 1 7  10 47  o 33.580  0.8290 0.2231000      1.658000  
1 1 1 7  10 48  o 12.740  1.1810 -2.799000      2.362000  
1 1 1 7  10 49  o 10.470  1.3750 1.037000       2.749000  
1 1 1 7  10 50  o 31.870  0.8464 1.598000       1.693000  
1 1 1 7  10 51  o 10.600  1.5120 3.627000       3.025000  
1 1 1 7  10 52  o 25.700  0.8599 -0.5457000     1.720000  
1 1 1 7  10 53  o 26.800  0.8759 0.4353000      1.752000  
1 1 1 7  10 54  o 27.220  1.0310 -2.784000      2.063000  
1 1 1 7  10 55  o 8.5690  1.9660 -0.9479000     3.932000  
1 1 1 7  10 56  o 36.040  1.1030 0.6915000      2.206000  
1 1 1 7  10 57  o 25.310  1.0830 -1.531000      2.167000  
1 1 1 7  10 58  o 12.700  1.7160 2.497000       3.433000  
1 1 1 7  10 59  o 14.090  1.5830 1.343000       3.166000  
1 1 1 7  10 60  o 25.550  1.1160 -1.621000      2.232000  
1 1 1 7  10 61  o 9.6660  2.0870 -1.824000      4.173000  
1 1 1 7  10 62  o 10.480  2.8770 ?              ?         
1 1 1 7  10 63  o 15.050  1.7380 -2.958000      3.476000  
1 1 1 7  10 64  o 9.2950  2.1650 -1.574000      4.331000  
1 1 1 7  10 65  o 20.280  1.3760 -0.7449000E-01 2.753000  
1 1 1 7  10 66  o 7.4520  2.1490 -0.4236000     4.297000  
1 1 1 7  10 67  o 11.460  2.2300 -2.015000      4.459000  
1 1 1 7  10 68  o 9.2140  2.2650 2.796000       4.531000  
1 1 1 7  10 69  f 24.620  1.3630 -3.043000      2.726000  
1 1 1 7  10 70  o 6.9940  2.0850 -2.346000      4.169000  
1 1 1 7  10 71  o 8.4480  2.2580 3.583000       4.515000  
1 1 1 7  10 72  o 10.200  2.2350 6.001000       4.469000  
1 1 1 7  10 73  o 12.500  2.3450 -3.409000      4.690000  
1 1 1 7  10 74  o 8.0430  2.3150 2.369000       4.630000  
1 1 1 7  10 75  f 6.1710  2.0310 0.8726000      4.063000  
1 1 1 7  10 76  o 7.9800  2.3160 -0.1454000     4.631000  
1 1 1 7  10 77  o 10.290  2.4260 0.1572000      4.852000  
1 1 1 7  10 78  o 5.9120  1.9450 -0.9981000     3.890000  
1 1 1 7  10 79  o 6.2650  2.1160 0.1455000      4.232000  
1 1 1 7  10 80  o 7.0820  2.3340 -0.7706000     4.668000  
1 1 1 7  10 81  o 6.7090  2.2450 0.4345000E-01  4.490000  
1 1 1 7  10 82  o 6.3100  2.1430 -0.4325000     4.287000  
1 1 1 7  10 83  o 6.3390  2.1280 0.6413000E-01  4.256000  
1 1 1 7  10 84  f 5.5470  1.9160 -0.5226000E-01 3.831000  
1 1 1 7  10 85  o 6.0080  2.0300 1.080000       4.061000  
1 1 1 7  10 86  o 4.9840  1.7670 -0.3024000E-01 3.533000  
1 1 1 7  10 87  o 5.9250  2.0450 0.2729000      4.090000  
1 1 1 7  10 88  o 6.6220  2.2090 1.040000       4.418000  
1 1 1 7  10 89  o 6.1840  2.0980 -1.099000      4.195000  
1 1 1 7  10 90  o 4.8540  1.7100 -0.2379000     3.420000  
1 1 1 7  10 91  o 5.3350  1.8420 0.7242000      3.683000  
1 1 1 7  10 92  o 3.5840  1.2970 0.6020000      2.593000  
1 1 1 7  10 93  o 4.2630  1.4800 -1.261000      2.960000  
1 1 1 7  11 0   o 15.350  0.4691 -0.000000      0.000000  
1 1 1 7  11 1   o 36.510  0.5150 -0.1974000     1.030000  
1 1 1 7  11 2   o 31.510  0.4518 0.3450000E-01  0.9037000 
1 1 1 7  11 3   o 29.050  0.4538 -0.5896000     0.9077000 
1 1 1 7  11 4   o 45.250  0.6317 0.6764000      1.263000  
1 1 1 7  11 5   o 44.840  0.6269 -0.3299000     1.254000  
1 1 1 7  11 6   o 30.260  0.4731 -1.459000      0.9461000 
1 1 1 7  11 7   o 20.750  0.3559 1.061000       0.7118000 
1 1 1 7  11 8   o 35.290  0.5019 0.1094000      1.004000  
1 1 1 7  11 9   o 17.120  0.3564 -0.2598000     0.7128000 
1 1 1 7  11 10  o 31.920  0.4606 -0.4902000     0.9213000 
1 1 1 7  11 11  o 11.550  0.4113 -2.258000      0.8227000 
1 1 1 7  11 12  o 42.230  0.5951 1.654000       1.190000  
1 1 1 7  11 13  o 36.200  0.5203 0.4970000      1.041000  
1 1 1 7  11 14  o 19.920  0.3944 -1.801000      0.7889000 
1 1 1 7  11 15  o 43.010  0.6075 -0.2929000E-01 1.215000  
1 1 1 7  11 16  o 25.110  0.4522 0.3376000      0.9045000 
1 1 1 7  11 17  o 36.240  0.5627 -0.7659000     1.125000  
1 1 1 7  11 18  o 34.100  0.5333 1.364000       1.067000  
1 1 1 7  11 19  o 53.110  0.8020 1.312000       1.604000  
1 1 1 7  11 20  o 34.410  0.5846 -2.794000      1.169000  
1 1 1 7  11 21  o 25.620  0.4357 0.7067000      0.8714000 
1 1 1 7  11 22  o 33.840  0.5367 -0.8955000     1.073000  
1 1 1 7  11 23  o 27.300  0.5467 2.253000       1.093000  
1 1 1 7  11 24  o 17.720  0.4262 0.1589000      0.8523000 
1 1 1 7  11 25  o 41.390  0.6892 -0.1001000     1.378000  
1 1 1 7  11 26  o 41.110  0.6874 0.4324000E-01  1.375000  
1 1 1 7  11 27  o 32.050  0.5606 -0.1523000E-01 1.121000  
1 1 1 7  11 28  f 17.630  0.4519 1.096000       0.9038000 
1 1 1 7  11 29  o 32.950  0.5750 -0.4405000     1.150000  
1 1 1 7  11 30  o 20.210  0.4573 0.4548000      0.9146000 
1 1 1 7  11 31  o 33.770  0.6639 -0.8676000     1.328000  
1 1 1 7  11 32  o 35.240  0.6942 2.023000       1.388000  
1 1 1 7  11 33  o 32.770  0.6601 -0.3723000     1.320000  
1 1 1 7  11 34  o 52.410  0.9609 -2.706000      1.922000  
1 1 1 7  11 35  o 3.8840  1.5310 ?              ?         
1 1 1 7  11 36  o 34.780  0.6930 0.3241000      1.386000  
1 1 1 7  11 37  o 48.700  0.9087 -0.7061000     1.817000  
1 1 1 7  11 38  o 63.370  1.1590 0.4151000      2.317000  
1 1 1 7  11 39  o 18.310  1.0560 ?              ?         
1 1 1 7  11 40  o 32.380  0.7593 -0.1281000     1.519000  
1 1 1 7  11 41  f 12.390  0.9890 1.767000       1.978000  
1 1 1 7  11 42  o 17.730  0.7934 1.127000       1.587000  
1 1 1 7  11 43  o 27.670  0.7508 0.9070000      1.502000  
1 1 1 7  11 44  o 21.980  0.7927 0.5584000      1.585000  
1 1 1 7  11 45  o 14.990  0.9671 0.8925000E-01  1.934000  
1 1 1 7  11 46  o 14.590  0.9838 -1.283000      1.968000  
1 1 1 7  11 47  o 26.260  0.7911 -0.3385000     1.582000  
1 1 1 7  11 48  o 12.260  1.2010 -0.9509000     2.401000  
1 1 1 7  11 49  o 17.890  0.9784 1.784000       1.957000  
1 1 1 7  11 50  o 23.950  0.8503 0.5019000      1.701000  
1 1 1 7  11 51  o 16.640  1.0510 0.2763000      2.103000  
1 1 1 7  11 52  o 15.760  1.1350 0.3412000      2.269000  
1 1 1 7  11 53  o 8.9220  1.6850 -2.786000      3.371000  
1 1 1 7  11 54  o 34.450  0.9052 -2.186000      1.810000  
1 1 1 7  11 55  o 15.770  1.2030 1.117000       2.406000  
1 1 1 7  11 56  o 19.430  1.0370 -1.532000      2.073000  
1 1 1 7  11 57  o 13.040  1.5340 3.680000       3.069000  
1 1 1 7  11 58  f 14.310  1.4570 0.7929000E-01  2.914000  
1 1 1 7  11 59  o 12.870  1.7470 0.2695000      3.494000  
1 1 1 7  11 60  o 16.530  1.4260 0.8325000      2.851000  
1 1 1 7  11 61  o 26.970  1.1160 -1.424000      2.231000  
1 1 1 7  11 62  o 6.3550  1.9450 -0.6983000     3.889000  
1 1 1 7  11 63  o 8.2220  2.1090 -1.360000      4.218000  
1 1 1 7  11 64  o 10.920  2.0530 4.803000       4.106000  
1 1 1 7  11 65  o 21.120  1.3820 -5.129000      2.764000  
1 1 1 7  11 66  f 9.7780  2.1830 -1.586000      4.367000  
1 1 1 7  11 67  o 6.4120  1.9840 -0.2193000     3.968000  
1 1 1 7  11 68  o 18.480  1.5840 -3.915000      3.168000  
1 1 1 7  11 69  o 9.9940  3.1350 ?              ?         
1 1 1 7  11 70  o 9.2210  2.2670 -0.2381000E-01 4.535000  
1 1 1 7  11 71  o 17.950  1.7190 -1.047000      3.439000  
1 1 1 7  11 72  o 8.1940  2.2780 -1.452000      4.557000  
1 1 1 7  11 73  o 13.510  2.2150 -3.522000      4.429000  
1 1 1 7  11 74  f 7.4220  2.2180 0.2500000      4.436000  
1 1 1 7  11 75  f 7.5690  2.2420 -0.3806000     4.484000  
1 1 1 7  11 76  o 7.5310  2.2120 1.324000       4.423000  
1 1 1 7  11 77  o 6.5010  2.0740 0.5073000      4.148000  
1 1 1 7  11 78  o 6.4320  2.0480 -2.187000      4.096000  
1 1 1 7  11 79  o 8.4350  2.3770 1.535000       4.755000  
1 1 1 7  11 80  f 5.7060  1.9180 0.9835000E-01  3.836000  
1 1 1 7  11 81  f 5.1460  1.7840 0.2759000      3.567000  
1 1 1 7  11 82  o 6.9130  2.1180 -1.998000      4.236000  
1 1 1 7  11 83  o 5.8110  1.9790 -0.2284000     3.957000  
1 1 1 7  11 84  o 6.6110  2.1930 -0.7875000     4.386000  
1 1 1 7  11 85  o 5.3400  1.8750 -0.3936000     3.749000  
1 1 1 7  11 86  o 6.0310  2.0480 0.5111000      4.097000  
1 1 1 7  11 87  o 5.6310  1.9510 -0.4005000E-01 3.902000  
1 1 1 7  11 88  o 5.8980  2.0000 -0.8106000     3.999000  
1 1 1 7  11 89  o 5.1400  1.7990 -1.544000      3.599000  
1 1 1 7  11 90  o 5.2010  1.8090 -0.4326000E-01 3.619000  
1 1 1 7  11 91  o 4.8530  1.6780 -0.3720000     3.356000  
1 1 1 7  11 92  o 4.3300  1.5160 -0.6148000     3.031000  
1 1 1 7  12 0   o 34.930  0.7019 0.000000       0.000000  
1 1 1 7  12 1   o 20.040  0.3504 1.539000       0.7009000 
1 1 1 7  12 2   o 26.190  0.3894 1.266000       0.7788000 
1 1 1 7  12 3   o 31.530  0.4539 -0.3354000     0.9078000 
1 1 1 7  12 4   f 19.550  0.4184 -1.336000      0.8368000 
1 1 1 7  12 5   o 43.410  0.6084 -0.1593000     1.217000  
1 1 1 7  12 6   o 43.520  0.6106 0.8200000      1.221000  
1 1 1 7  12 7   o 17.180  0.3640 -1.256000      0.7280000 
1 1 1 7  12 8   o 16.260  0.3980 1.824000       0.7960000 
1 1 1 7  12 9   o 25.450  0.3861 0.6509000      0.7721000 
1 1 1 7  12 10  f 43.190  0.6099 0.2260000      1.220000  
1 1 1 7  12 11  o 27.120  0.4722 0.4768000      0.9445000 
1 1 1 7  12 12  o 6.5650  0.6362 -2.009000      1.272000  
1 1 1 7  12 13  o 33.140  0.4822 0.2982000      0.9645000 
1 1 1 7  12 14  o 10.960  0.4279 -1.539000      0.8558000 
1 1 1 7  12 15  o 7.3860  0.5583 0.9619000E-01  1.117000  
1 1 1 7  12 16  f 22.720  0.3700 0.5537000      0.7399000 
1 1 1 7  12 17  o 62.620  0.8716 -0.4874000     1.743000  
1 1 1 7  12 18  o 40.850  0.6761 0.7166000E-01  1.352000  
1 1 1 7  12 19  o 59.130  0.9535 -0.6934000     1.907000  
1 1 1 7  12 20  o 34.760  0.6171 3.218000       1.234000  
1 1 1 7  12 21  o 50.060  0.7601 0.3368000      1.520000  
1 1 1 7  12 22  o 10.900  0.5625 -3.980000      1.125000  
1 1 1 7  12 23  o 20.860  0.4065 0.6679000      0.8130000 
1 1 1 7  12 24  o 38.880  0.6077 -0.3988000     1.215000  
1 1 1 7  12 25  o 32.300  0.5670 -1.234000      1.134000  
1 1 1 7  12 26  o 24.830  0.4813 -0.1983000     0.9627000 
1 1 1 7  12 27  o 25.130  0.4838 -0.5475000     0.9675000 
1 1 1 7  12 28  f 27.510  0.5173 0.6225000      1.035000  
1 1 1 7  12 29  o 59.340  0.9620 0.1317000      1.924000  
1 1 1 7  12 30  o 89.380  1.4370 -0.3601000     2.875000  
1 1 1 7  12 31  f 46.670  0.8700 -0.3905000     1.740000  
1 1 1 7  12 32  o 35.150  0.6171 0.5656000      1.234000  
1 1 1 7  12 33  o 38.860  0.6642 -0.9209000E-01 1.328000  
1 1 1 7  12 34  o 15.030  0.6040 1.956000       1.208000  
1 1 1 7  12 35  o 21.190  0.5824 -0.1937000     1.165000  
1 1 1 7  12 36  o 29.970  0.6438 0.3948000      1.288000  
1 1 1 7  12 37  o 53.500  0.9894 -1.203000      1.979000  
1 1 1 7  12 38  o 39.410  0.7803 3.347000       1.561000  
1 1 1 7  12 39  o 41.690  0.8068 1.012000       1.614000  
1 1 1 7  12 40  o 21.310  0.6270 0.2644000      1.254000  
1 1 1 7  12 41  o 25.330  0.6360 -1.006000      1.272000  
1 1 1 7  12 42  o 31.060  0.7762 -0.3100000     1.552000  
1 1 1 7  12 43  o 49.880  1.0460 -0.4304000     2.091000  
1 1 1 7  12 44  o 30.180  0.7907 -0.4843000     1.581000  
1 1 1 7  12 45  o 6.0180  1.5480 2.087000       3.095000  
1 1 1 7  12 46  o 26.590  0.7993 2.196000       1.599000  
1 1 1 7  12 47  o 39.270  0.9057 -0.5112000     1.811000  
1 1 1 7  12 48  o 33.980  0.8534 0.3843000      1.707000  
1 1 1 7  12 49  f 24.340  0.8455 0.2532000      1.691000  
1 1 1 7  12 50  o 5.3150  1.6020 0.1196000      3.204000  
1 1 1 7  12 51  o 19.290  0.9568 -0.8339000     1.914000  
1 1 1 7  12 52  o 29.510  0.8636 -0.2546000     1.727000  
1 1 1 7  12 53  o 11.540  1.5410 5.364000       3.081000  
1 1 1 7  12 54  o 6.2010  1.7640 0.7104000      3.528000  
1 1 1 7  12 55  o 26.140  0.8970 -0.5528000     1.794000  
1 1 1 7  12 56  o 8.6730  1.8420 0.3818000      3.684000  
1 1 1 7  12 57  o 7.3650  1.9040 1.536000       3.807000  
1 1 1 7  12 58  o 18.790  1.1640 3.205000       2.329000  
1 1 1 7  12 59  o 18.030  1.2270 -3.369000      2.453000  
1 1 1 7  12 60  o 25.380  1.0030 -2.661000      2.005000  
1 1 1 7  12 61  f 17.640  1.3080 -3.217000      2.615000  
1 1 1 7  12 62  o 12.220  1.8030 0.2386000      3.606000  
1 1 1 7  12 63  o 14.470  1.6420 0.2694000      3.284000  
1 1 1 7  12 64  o 10.710  2.1270 -1.499000      4.255000  
1 1 1 7  12 65  o 7.4650  2.0330 2.967000       4.066000  
1 1 1 7  12 66  o 6.1200  1.9220 -1.000000      3.844000  
1 1 1 7  12 67  o 10.400  2.1570 -1.322000      4.315000  
1 1 1 7  12 68  o 5.4740  1.8090 -0.1370000     3.618000  
1 1 1 7  12 69  o 14.350  1.9720 1.682000       3.944000  
1 1 1 7  12 70  o 10.670  2.2330 3.087000       4.466000  
1 1 1 7  12 71  o 8.0310  2.2180 -1.179000      4.436000  
1 1 1 7  12 72  o 8.7610  2.2490 -2.605000      4.499000  
1 1 1 7  12 73  o 6.0260  1.9310 -1.346000      3.863000  
1 1 1 7  12 74  o 9.3290  2.1510 -5.370000      4.302000  
1 1 1 7  12 75  o 7.1490  2.1180 2.310000       4.236000  
1 1 1 7  12 76  o 6.5670  2.8800 ?              ?         
1 1 1 7  12 77  o 5.6940  1.8940 -0.3842000     3.788000  
1 1 1 7  12 78  o 7.2240  2.1180 2.442000       4.235000  
1 1 1 7  12 79  o 5.8030  1.9320 1.232000       3.864000  
1 1 1 7  12 80  o 5.4490  1.8360 0.8111000E-01  3.672000  
1 1 1 7  12 81  o 6.3330  2.0360 -0.2733000     4.072000  
1 1 1 7  12 82  o 6.0410  1.9700 -0.3242000     3.940000  
1 1 1 7  12 83  o 5.7400  1.9060 0.4335000      3.812000  
1 1 1 7  12 84  o 5.9690  1.9530 0.7008000      3.905000  
1 1 1 7  12 85  o 5.5050  1.8400 -0.5804000     3.681000  
1 1 1 7  12 86  o 5.4690  1.8360 0.2818000      3.672000  
1 1 1 7  12 87  o 4.9140  1.7130 0.1752000      3.427000  
1 1 1 7  12 88  o 4.5720  1.6200 -0.1545000     3.240000  
1 1 1 7  12 89  o 4.7360  1.6690 -0.6579000     3.338000  
1 1 1 7  12 90  o 4.3810  1.5450 -1.055000      3.091000  
1 1 1 7  12 91  o 4.5910  1.5940 0.5124000      3.189000  
1 1 1 7  13 0   o 34.060  0.6905 0.000000       0.000000  
1 1 1 7  13 1   o 27.000  0.4028 -0.3687000     0.8056000 
1 1 1 7  13 2   o 34.600  0.4963 -0.3572000     0.9925000 
1 1 1 7  13 3   o 26.650  0.4308 -0.7645000     0.8616000 
1 1 1 7  13 4   o 17.490  0.4112 -1.417000      0.8223000 
1 1 1 7  13 5   o 42.380  0.5990 0.9295000      1.198000  
1 1 1 7  13 6   o 48.290  0.6766 0.2765000      1.353000  
1 1 1 7  13 7   o 14.230  0.3788 -2.360000      0.7576000 
1 1 1 7  13 8   o 19.070  0.3333 0.7184000      0.6666000 
1 1 1 7  13 9   o 22.350  0.3596 0.4631000      0.7191000 
1 1 1 7  13 10  o 21.830  0.3565 -0.2085000     0.7129000 
1 1 1 7  13 11  o 37.800  0.5410 0.4629000      1.082000  
1 1 1 7  13 12  o 74.460  1.0340 0.3699000E-01  2.068000  
1 1 1 7  13 13  o 14.190  0.4605 0.6038000      0.9210000 
1 1 1 7  13 14  o 74.470  1.1980 1.211000       2.395000  
1 1 1 7  13 15  o 29.580  0.5180 -0.7418000E-01 1.036000  
1 1 1 7  13 16  o 15.890  0.3777 0.4295000      0.7554000 
1 1 1 7  13 17  o 24.730  0.3966 0.4317000      0.7933000 
1 1 1 7  13 18  o 31.590  0.4697 -0.2495000     0.9393000 
1 1 1 7  13 19  o 19.920  0.4309 -0.9042000     0.8618000 
1 1 1 7  13 20  o 15.160  0.3974 -2.166000      0.7948000 
1 1 1 7  13 21  o 65.720  0.9928 0.8400000      1.986000  
1 1 1 7  13 22  o 9.7800  0.6353 -1.516000      1.271000  
1 1 1 7  13 23  o 30.350  0.5390 2.058000       1.078000  
1 1 1 7  13 24  o 41.690  0.6464 0.6182000      1.293000  
1 1 1 7  13 25  o 7.9960  1.0140 ?              ?         
1 1 1 7  13 26  o 88.080  1.4200 -1.277000      2.840000  
1 1 1 7  13 28  o 47.750  0.7900 -0.3829000     1.580000  
1 1 1 7  13 29  o 25.230  0.6228 -1.976000      1.246000  
1 1 1 7  13 30  o 15.390  0.4908 0.4536000      0.9817000 
1 1 1 7  13 31  o 33.560  0.5960 -0.7916000     1.192000  
1 1 1 7  13 32  o 33.670  0.6002 0.5125000      1.200000  
1 1 1 7  13 33  o 7.8760  0.9865 -1.021000      1.973000  
1 1 1 7  13 34  o 24.790  0.5150 -1.645000      1.030000  
1 1 1 7  13 35  o 39.130  0.6770 0.1613000      1.354000  
1 1 1 7  13 36  o 35.390  0.6329 -0.3836000     1.266000  
1 1 1 7  13 37  o 28.110  0.5540 0.4521000      1.108000  
1 1 1 7  13 38  o 23.300  0.6168 0.9387000      1.234000  
1 1 1 7  13 39  o 22.640  0.6201 -0.4811000     1.240000  
1 1 1 7  13 40  o 25.190  0.6310 2.381000       1.262000  
1 1 1 7  13 41  o 11.490  0.8301 1.387000       1.660000  
1 1 1 7  13 42  o 23.050  0.6634 -0.2733000     1.327000  
1 1 1 7  13 43  o 35.820  0.7545 -1.172000      1.509000  
1 1 1 7  13 44  o 33.290  0.7884 0.5177000      1.577000  
1 1 1 7  13 45  o 7.6430  1.3520 -1.849000      2.704000  
1 1 1 7  13 46  f 26.660  0.8056 -1.216000      1.611000  
1 1 1 7  13 47  o 16.500  0.9824 2.401000       1.965000  
1 1 1 7  13 48  o 15.750  1.0360 -0.5796000     2.071000  
1 1 1 7  13 49  o 32.180  0.8482 0.6901000E-01  1.696000  
1 1 1 7  13 50  o 27.910  0.8471 0.9814000      1.694000  
1 1 1 7  13 51  o 10.890  1.5630 -4.668000      3.127000  
1 1 1 7  13 52  o 24.360  0.8873 0.5904000      1.775000  
1 1 1 7  13 53  o 18.140  1.0840 1.175000       2.169000  
1 1 1 7  13 54  o 9.8970  1.7640 0.5520000      3.529000  
1 1 1 7  13 55  o 6.0390  1.7540 1.274000       3.509000  
1 1 1 7  13 56  o 7.4230  1.9120 -0.7202000     3.823000  
1 1 1 7  13 57  o 20.380  1.0710 0.7374000      2.141000  
1 1 1 7  13 58  o 6.6810  1.8070 2.386000       3.615000  
1 1 1 7  13 59  o 13.750  1.5800 1.818000       3.159000  
1 1 1 7  13 60  o 13.210  1.6860 -0.2305000     3.373000  
1 1 1 7  13 61  o 5.9710  1.8370 0.5138000      3.673000  
1 1 1 7  13 62  o 24.380  1.0720 -0.1449000     2.144000  
1 1 1 7  13 63  o 6.6880  1.9230 -0.9103000     3.846000  
1 1 1 7  13 64  o 7.4680  2.0630 0.7830000E-01  4.126000  
1 1 1 7  13 65  o 14.980  1.5830 -0.3046000     3.165000  
1 1 1 7  13 66  o 10.930  1.9520 -6.030000      3.905000  
1 1 1 7  13 67  o 7.2310  2.0620 0.2642000      4.124000  
1 1 1 7  13 68  o 8.6460  2.1040 3.217000       4.208000  
1 1 1 7  13 69  o 8.2140  2.2500 -0.4905000     4.499000  
1 1 1 7  13 70  o 6.9170  2.0740 0.9870000      4.148000  
1 1 1 7  13 71  f 10.580  2.2470 3.029000       4.494000  
1 1 1 7  13 72  o 7.2960  2.1810 -1.462000      4.361000  
1 1 1 7  13 73  o 5.7110  1.8860 -0.6754000     3.772000  
1 1 1 7  13 74  o 11.000  2.1170 -7.338000      4.233000  
1 1 1 7  13 75  o 5.5560  1.8660 -1.307000      3.733000  
1 1 1 7  13 76  o 6.9720  2.1180 0.4932000      4.235000  
1 1 1 7  13 77  o 5.5620  1.8530 0.9662000      3.707000  
1 1 1 7  13 78  o 6.7960  2.1190 -1.706000      4.238000  
1 1 1 7  13 79  o 6.3440  2.0340 0.1221000E-01  4.069000  
1 1 1 7  13 80  f 6.3410  2.0000 -1.020000      3.999000  
1 1 1 7  13 81  o 6.7980  2.0460 -1.800000      4.091000  
1 1 1 7  13 82  o 5.2950  1.7760 -0.1948000     3.551000  
1 1 1 7  13 83  o 5.8270  1.9090 -0.2834000     3.818000  
1 1 1 7  13 84  o 4.7060  2.2960 ?              ?         
1 1 1 7  13 85  o 5.0360  1.7210 0.2848000      3.442000  
1 1 1 7  13 86  o 4.4030  1.5310 -0.9171000     3.062000  
1 1 1 7  13 87  o 4.3330  1.5200 -0.4922000     3.040000  
1 1 1 7  13 88  o 3.3820  1.2160 0.5188000      2.433000  
1 1 1 7  13 89  o 4.4170  1.4850 0.2347000      2.970000  
1 1 1 7  13 90  o 3.8540  1.9550 ?              ?         
1 1 1 7  14 0   o 15.190  0.6597 0.000000       0.000000  
1 1 1 7  14 1   o 41.680  0.5875 0.2912000      1.175000  
1 1 1 7  14 2   o 28.430  0.5463 -0.2071000E-01 1.093000  
1 1 1 7  14 3   o 38.070  0.5410 1.208000       1.082000  
1 1 1 7  14 4   o 23.990  0.4079 0.6053000      0.8158000 
1 1 1 7  14 5   o 27.590  0.4155 0.4353000      0.8309000 
1 1 1 7  14 6   o 32.310  0.5081 -1.395000      1.016000  
1 1 1 7  14 7   o 66.070  0.9171 0.3532000      1.834000  
1 1 1 7  14 8   o 30.530  0.5245 -0.2454000     1.049000  
1 1 1 7  14 9   o 17.950  0.3937 0.3211000      0.7874000 
1 1 1 7  14 10  o 16.750  0.3559 -0.4323000     0.7118000 
1 1 1 7  14 11  o 31.420  0.4634 0.4736000      0.9268000 
1 1 1 7  14 12  o 42.130  0.5991 -0.1056000     1.198000  
1 1 1 7  14 13  o 35.890  0.5223 0.3050000      1.045000  
1 1 1 7  14 14  o 68.900  0.9591 1.818000       1.918000  
1 1 1 7  14 15  o 20.810  0.4826 -2.738000      0.9653000 
1 1 1 7  14 16  o 34.030  0.4985 -0.4604000     0.9970000 
1 1 1 7  14 17  o 31.870  0.4758 -0.2789000     0.9515000 
1 1 1 7  14 18  o 48.790  0.6885 0.3825000      1.377000  
1 1 1 7  14 19  o 21.730  0.5020 -1.701000      1.004000  
1 1 1 7  14 20  o 47.340  0.6695 -0.2099000     1.339000  
1 1 1 7  14 21  o 69.430  0.9655 0.1512000      1.931000  
1 1 1 7  14 22  o 42.950  0.8039 -3.331000      1.608000  
1 1 1 7  14 23  f 36.410  0.5803 -0.6098000     1.161000  
1 1 1 7  14 24  o 15.790  0.5017 1.290000       1.003000  
1 1 1 7  14 25  o 52.260  0.8021 -0.6156000     1.604000  
1 1 1 7  14 26  o 29.250  0.5997 -0.3670000     1.199000  
1 1 1 7  14 27  o 19.130  0.4277 0.2000000      0.8554000 
1 1 1 7  14 28  o 54.700  0.8940 -1.792000      1.788000  
1 1 1 7  14 29  o 41.230  0.6967 -1.137000      1.393000  
1 1 1 7  14 30  o 37.090  0.7980 6.091000       1.596000  
1 1 1 7  14 31  o 34.420  0.6868 0.7067000      1.374000  
1 1 1 7  14 32  o 7.1490  1.1740 0.8516000      2.348000  
1 1 1 7  14 33  o 35.240  0.6295 -0.3077000     1.259000  
1 1 1 7  14 34  o 29.740  0.5703 0.4223000      1.141000  
1 1 1 7  14 35  o 48.920  0.8152 -1.203000      1.630000  
1 1 1 7  14 36  o 31.370  0.7658 -0.4963000     1.532000  
1 1 1 7  14 37  o 32.350  0.6017 -1.290000      1.203000  
1 1 1 7  14 38  o 10.550  0.7081 0.8372000      1.416000  
1 1 1 7  14 39  o 22.220  0.5384 -1.045000      1.077000  
1 1 1 7  14 40  o 11.250  0.7344 -0.7958000     1.469000  
1 1 1 7  14 41  o 40.500  0.7092 0.1376000      1.418000  
1 1 1 7  14 42  f 38.630  0.9833 ?              ?         
1 1 1 7  14 43  o 33.260  0.7335 1.879000       1.467000  
1 1 1 7  14 44  o 34.930  0.7541 0.4569000      1.508000  
1 1 1 7  14 45  o 17.480  0.7657 -0.1367000     1.531000  
1 1 1 7  14 46  o 6.8610  1.4650 1.164000       2.931000  
1 1 1 7  14 47  o 27.780  0.7234 1.678000       1.447000  
1 1 1 7  14 48  o 10.520  1.1740 0.2707000      2.348000  
1 1 1 7  14 49  o 17.030  0.8240 -0.3999000     1.648000  
1 1 1 7  14 50  o 20.580  0.9292 0.3998000      1.858000  
1 1 1 7  14 51  o 7.8310  1.7670 -3.125000      3.534000  
1 1 1 7  14 52  o 8.5440  1.7930 -1.153000      3.587000  
1 1 1 7  14 53  o 9.6550  1.7530 -0.7635000     3.507000  
1 1 1 7  14 54  o 16.330  1.2110 0.9475000      2.422000  
1 1 1 7  14 55  o 11.960  1.6070 1.849000       3.214000  
1 1 1 7  14 56  o 8.9790  1.8700 -1.550000      3.740000  
1 1 1 7  14 57  o 7.5070  1.8730 2.288000       3.746000  
1 1 1 7  14 58  o 16.460  1.3200 1.297000       2.641000  
1 1 1 7  14 59  o 6.4770  1.8720 0.1592000      3.745000  
1 1 1 7  14 60  o 11.930  1.7280 -0.7714000     3.456000  
1 1 1 7  14 61  o 15.140  1.5180 -3.373000      3.037000  
1 1 1 7  14 62  o 9.2630  2.0750 -1.055000      4.150000  
1 1 1 7  14 63  o 6.2810  1.9080 -0.4389000     3.815000  
1 1 1 7  14 64  o 16.320  1.4520 -2.281000      2.904000  
1 1 1 7  14 65  o 6.5030  1.9370 -1.021000      3.874000  
1 1 1 7  14 66  o 6.4670  1.9310 -1.175000      3.863000  
1 1 1 7  14 67  o 5.8280  1.8700 0.3814000      3.740000  
1 1 1 7  14 68  o 7.2340  2.0940 -2.625000      4.189000  
1 1 1 7  14 69  o 7.0890  2.0290 -4.044000      4.058000  
1 1 1 7  14 70  o 9.1850  2.1770 -3.907000      4.354000  
1 1 1 7  14 71  o 5.4220  1.7880 -0.7849000     3.576000  
1 1 1 7  14 72  o 8.2510  2.2000 0.7104000      4.400000  
1 1 1 7  14 73  o 7.3500  2.1630 -1.875000      4.326000  
1 1 1 7  14 74  o 5.4640  1.8230 1.938000       3.646000  
1 1 1 7  14 75  o 5.2540  1.7910 0.3828000      3.581000  
1 1 1 7  14 76  o 6.4820  2.0460 1.076000       4.093000  
1 1 1 7  14 77  o 6.0770  1.9710 -1.110000      3.943000  
1 1 1 7  14 78  f 4.5130  1.5860 0.1768000      3.172000  
1 1 1 7  14 79  o 6.7360  2.0820 0.5192000      4.164000  
1 1 1 7  14 80  o 5.8690  1.9140 1.377000       3.829000  
1 1 1 7  14 81  o 6.9120  2.0290 -3.388000      4.058000  
1 1 1 7  14 82  o 4.5160  1.5820 0.7094000      3.163000  
1 1 1 7  14 83  o 4.3770  1.5370 -0.4775000     3.074000  
1 1 1 7  14 84  o 5.5330  1.8260 -0.1872000     3.651000  
1 1 1 7  14 85  o 4.7840  1.6420 -0.5828000     3.284000  
1 1 1 7  14 86  o 4.3830  1.5110 -1.267000      3.023000  
1 1 1 7  14 87  o 3.8800  1.3560 0.2640000      2.712000  
1 1 1 7  14 88  o 4.0940  1.4350 0.6634000      2.871000  
1 1 1 7  14 89  o 4.4740  2.1800 ?              ?         
1 1 1 7  15 0   o 48.130  0.9538 -0.000000      0.000000  
1 1 1 7  15 1   o 19.500  0.4944 0.6172000      0.9888000 
1 1 1 7  15 2   o 29.990  0.4447 0.7763000      0.8893000 
1 1 1 7  15 3   o 31.330  0.4592 0.6227000      0.9184000 
1 1 1 7  15 4   o 16.620  0.3946 -0.5988000     0.7892000 
1 1 1 7  15 5   o 21.520  0.3599 -0.6930000     0.7198000 
1 1 1 7  15 6   o 13.510  0.4784 3.213000       0.9567000 
1 1 1 7  15 7   o 33.310  0.4842 0.1984000      0.9685000 
1 1 1 7  15 8   o 18.990  0.4116 0.2746000      0.8232000 
1 1 1 7  15 9   o 27.800  0.4628 -0.4424000E-01 0.9256000 
1 1 1 7  15 10  o 53.960  0.7562 -3.369000      1.512000  
1 1 1 7  15 11  o 85.980  1.1900 0.4682000      2.380000  
1 1 1 7  15 12  o 78.550  1.0960 3.568000       2.192000  
1 1 1 7  15 13  o 22.570  0.8130 ?              ?         
1 1 1 7  15 14  o 8.5110  0.6138 0.6896000      1.228000  
1 1 1 7  15 15  o 35.000  0.5549 -2.147000      1.110000  
1 1 1 7  15 16  o 59.040  0.8244 1.231000       1.649000  
1 1 1 7  15 17  o 8.2630  0.6636 0.5324000      1.327000  
1 1 1 7  15 18  o 35.280  0.5555 -1.639000      1.111000  
1 1 1 7  15 19  o 32.060  0.4854 -0.7135000E-01 0.9708000 
1 1 1 7  15 20  o 73.200  1.0210 0.3922000      2.042000  
1 1 1 7  15 21  f 25.330  0.4976 -1.432000      0.9952000 
1 1 1 7  15 22  o 33.070  0.4993 0.2628000      0.9986000 
1 1 1 7  15 23  f 37.180  0.5466 -0.7375000     1.093000  
1 1 1 7  15 24  o 16.330  0.6663 ?              ?         
1 1 1 7  15 25  o 28.270  0.4891 -0.4875000     0.9783000 
1 1 1 7  15 26  o 27.010  0.4819 -0.1167000     0.9639000 
1 1 1 7  15 27  o 28.410  0.4987 -0.9856000     0.9974000 
1 1 1 7  15 28  o 40.830  0.6456 0.2063000      1.291000  
1 1 1 7  15 29  o 45.690  0.7630 -1.142000      1.526000  
1 1 1 7  15 30  f 27.700  0.5414 0.5472000      1.083000  
1 1 1 7  15 31  o 28.570  0.5550 0.7353000      1.110000  
1 1 1 7  15 32  o 40.890  0.7009 -0.7759000     1.402000  
1 1 1 7  15 33  o 12.310  0.8018 -2.351000      1.604000  
1 1 1 7  15 34  o 11.420  0.6709 2.352000       1.342000  
1 1 1 7  15 35  f 30.620  0.5894 0.3555000      1.179000  
1 1 1 7  15 36  o 23.030  0.5424 0.1695000      1.085000  
1 1 1 7  15 37  o 23.120  0.5522 -0.7011000     1.104000  
1 1 1 7  15 38  o 39.870  0.7080 -2.333000      1.416000  
1 1 1 7  15 39  o 32.100  0.7007 -3.430000      1.401000  
1 1 1 7  15 40  o 36.400  0.6644 0.4225000      1.329000  
1 1 1 7  15 41  o 17.900  0.5986 0.8308000      1.197000  
1 1 1 7  15 42  o 12.550  0.7466 0.8974000      1.493000  
1 1 1 7  15 43  o 35.290  0.6647 -0.5627000     1.329000  
1 1 1 7  15 44  o 11.340  0.8608 2.089000       1.722000  
1 1 1 7  15 45  f 16.760  0.6209 -0.8644000     1.242000  
1 1 1 7  15 46  o 29.540  0.7328 0.2606000E-01  1.466000  
1 1 1 7  15 47  o 8.7670  1.4020 -0.6812000     2.804000  
1 1 1 7  15 48  o 20.060  0.7548 1.041000       1.510000  
1 1 1 7  15 49  o 19.120  0.8149 -1.085000      1.630000  
1 1 1 7  15 50  o 38.900  0.8451 -1.310000      1.690000  
1 1 1 7  15 51  o 10.160  1.3390 4.463000       2.678000  
1 1 1 7  15 52  o 14.340  1.0360 -1.116000      2.072000  
1 1 1 7  15 53  o 9.3830  1.4590 -0.6315000     2.918000  
1 1 1 7  15 54  o 34.780  0.8228 -0.1446000     1.646000  
1 1 1 7  15 55  o 13.050  1.5090 -2.605000      3.018000  
1 1 1 7  15 56  o 8.7530  2.0690 -1.540000      4.138000  
1 1 1 7  15 57  o 33.580  0.9563 -1.079000      1.913000  
1 1 1 7  15 58  o 11.430  1.8110 4.818000       3.623000  
1 1 1 7  15 59  o 9.2590  1.9800 0.5950000      3.960000  
1 1 1 7  15 60  o 8.9150  1.9510 2.182000       3.902000  
1 1 1 7  15 61  o 7.4940  1.9780 1.763000       3.956000  
1 1 1 7  15 62  o 5.5130  1.7520 0.4611000      3.504000  
1 1 1 7  15 63  o 5.9590  1.8370 -0.9081000     3.674000  
1 1 1 7  15 64  o 6.1740  1.8270 2.443000       3.653000  
1 1 1 7  15 65  f 8.0150  2.0860 0.4302000E-02  4.172000  
1 1 1 7  15 66  o 6.9660  1.9930 -1.772000      3.986000  
1 1 1 7  15 67  o 6.5670  1.9170 1.574000       3.833000  
1 1 1 7  15 68  o 7.2370  2.0470 -2.695000      4.094000  
1 1 1 7  15 69  o 7.0150  2.0440 -0.8367000     4.087000  
1 1 1 7  15 70  o 4.7460  1.6200 -0.5342000     3.240000  
1 1 1 7  15 71  o 7.9700  2.1560 0.6678000      4.312000  
1 1 1 7  15 72  o 6.7610  2.0560 -0.1634000     4.111000  
1 1 1 7  15 73  o 6.9750  2.0640 0.2047000      4.127000  
1 1 1 7  15 74  o 7.8050  2.1640 0.9259000      4.328000  
1 1 1 7  15 75  o 8.3050  2.1920 -2.522000      4.384000  
1 1 1 7  15 76  o 5.9420  1.8920 0.9685000      3.784000  
1 1 1 7  15 77  o 5.8800  1.9230 -0.1787000     3.846000  
1 1 1 7  15 78  o 6.4680  2.0420 0.3102000      4.084000  
1 1 1 7  15 79  o 4.3780  1.5430 0.6769000E-01  3.086000  
1 1 1 7  15 80  o 5.8020  1.9210 0.7000000      3.842000  
1 1 1 7  15 81  o 5.7230  1.9010 0.8206000      3.801000  
1 1 1 7  15 82  o 4.8070  1.6570 -0.1785000     3.314000  
1 1 1 7  15 83  o 4.7990  1.6510 -0.4051000     3.303000  
1 1 1 7  15 84  o 4.1170  1.4570 -0.1688000     2.915000  
1 1 1 7  15 85  f 3.9820  1.3910 -0.3608000     2.782000  
1 1 1 7  15 86  o 4.9200  1.6200 0.8164000      3.240000  
1 1 1 7  15 87  o 4.8760  1.6750 -0.2216000     3.351000  
1 1 1 7  16 0   o 31.830  0.7764 0.000000       0.000000  
1 1 1 7  16 1   o 49.930  0.7548 2.271000       1.510000  
1 1 1 7  16 2   o 57.890  0.8065 1.659000       1.613000  
1 1 1 7  16 3   o 16.940  0.5020 -2.578000      1.004000  
1 1 1 7  16 4   o 39.330  0.5618 0.9753000      1.124000  
1 1 1 7  16 5   o 27.010  0.8381 ?              ?         
1 1 1 7  16 6   o 43.540  0.6164 1.148000       1.233000  
1 1 1 7  16 7   o 23.870  0.5148 -3.510000      1.030000  
1 1 1 7  16 8   o 47.850  0.6740 -1.960000      1.348000  
1 1 1 7  16 9   o 53.500  0.7502 0.4285000      1.500000  
1 1 1 7  16 10  f 9.2160  0.6513 -0.8540000     1.303000  
1 1 1 7  16 11  o 21.670  0.4105 1.438000       0.8210000 
1 1 1 7  16 12  o 27.030  0.4220 1.459000       0.8440000 
1 1 1 7  16 13  o 23.140  0.3888 0.4180000      0.7775000 
1 1 1 7  16 14  o 41.210  0.5899 0.2300000E-01  1.180000  
1 1 1 7  16 15  o 26.300  0.5504 0.5199000E-01  1.101000  
1 1 1 7  16 16  o 58.040  0.8136 1.605000       1.627000  
1 1 1 7  16 17  o 19.300  0.5150 -2.996000      1.030000  
1 1 1 7  16 18  f 63.090  0.8846 1.728000       1.769000  
1 1 1 7  16 19  o 40.310  0.7632 -4.640000      1.526000  
1 1 1 7  16 20  o 29.660  0.4662 1.148000       0.9324000 
1 1 1 7  16 21  o 24.990  0.4236 1.221000       0.8473000 
1 1 1 7  16 22  o 28.140  0.4912 -1.601000      0.9823000 
1 1 1 7  16 23  o 47.740  0.6846 1.133000       1.369000  
1 1 1 7  16 24  o 30.470  0.6259 -2.857000      1.252000  
1 1 1 7  16 25  f 51.210  0.7894 -1.230000      1.579000  
1 1 1 7  16 26  o 64.760  0.9817 1.423000       1.963000  
1 1 1 7  16 27  o 27.030  0.5972 -1.693000      1.194000  
1 1 1 7  16 28  o 25.270  0.4861 -0.9584000     0.9722000 
1 1 1 7  16 29  o 16.000  0.4937 1.906000       0.9875000 
1 1 1 7  16 30  o 6.2870  0.9920 -0.3450000     1.984000  
1 1 1 7  16 31  o 30.880  0.5832 -1.131000      1.166000  
1 1 1 7  16 32  o 16.510  0.6474 -0.7421000     1.295000  
1 1 1 7  16 33  o 34.630  0.6266 -1.497000      1.253000  
1 1 1 7  16 34  o 14.140  0.7723 0.1448000      1.545000  
1 1 1 7  16 35  o 32.450  0.6029 -1.086000      1.206000  
1 1 1 7  16 36  o 10.570  0.9747 -0.6320000     1.949000  
1 1 1 7  16 37  o 32.850  0.6214 -0.2130000E-01 1.243000  
1 1 1 7  16 38  o 39.160  0.6990 -0.9337000     1.398000  
1 1 1 7  16 39  o 46.180  0.7955 -1.299000      1.591000  
1 1 1 7  16 40  f 16.370  0.6787 2.308000       1.357000  
1 1 1 7  16 41  o 10.400  0.9192 0.7870000      1.838000  
1 1 1 7  16 42  o 36.700  0.6813 -1.362000      1.363000  
1 1 1 7  16 43  o 14.590  0.8365 -3.098000      1.673000  
1 1 1 7  16 44  f 7.2490  1.2210 2.080000       2.442000  
1 1 1 7  16 45  o 12.080  0.8051 -0.4616000     1.610000  
1 1 1 7  16 46  o 18.840  0.6265 0.1753000      1.253000  
1 1 1 7  16 47  o 6.5170  1.3420 -0.1957000     2.684000  
1 1 1 7  16 48  o 7.4600  1.2800 1.621000       2.560000  
1 1 1 7  16 49  o 10.750  0.9542 -2.012000      1.908000  
1 1 1 7  16 50  o 16.780  0.9325 -3.969000      1.865000  
1 1 1 7  16 51  o 5.8770  1.5720 0.6947000      3.143000  
1 1 1 7  16 52  o 10.940  1.3350 -1.008000      2.670000  
1 1 1 7  16 53  o 5.0130  1.5100 0.1552000      3.019000  
1 1 1 7  16 54  o 5.6220  1.5990 0.9572000      3.199000  
1 1 1 7  16 55  o 9.8220  1.4880 -3.660000      2.975000  
1 1 1 7  16 56  o 6.4400  1.6440 0.1854000      3.289000  
1 1 1 7  16 57  o 14.360  1.1500 -0.7100000     2.299000  
1 1 1 7  16 58  o 13.000  1.2280 0.2260000E-01  2.457000  
1 1 1 7  16 59  o 16.380  1.2940 0.8547000      2.588000  
1 1 1 7  16 60  o 6.9590  1.8800 2.260000       3.760000  
1 1 1 7  16 61  o 11.190  1.8220 0.7532000      3.644000  
1 1 1 7  16 62  f 5.2840  1.7860 -1.785000      3.573000  
1 1 1 7  16 63  o 7.4340  1.9630 -2.942000      3.927000  
1 1 1 7  16 64  o 7.1590  1.9460 0.3351000      3.892000  
1 1 1 7  16 65  o 5.0720  1.6710 0.2446000E-01  3.343000  
1 1 1 7  16 66  o 10.690  1.9240 -0.3697000E-01 3.849000  
1 1 1 7  16 67  o 5.8350  1.8350 -2.161000      3.670000  
1 1 1 7  16 68  o 7.8400  2.0360 1.406000       4.071000  
1 1 1 7  16 69  o 5.0770  1.6970 -0.7056000     3.395000  
1 1 1 7  16 70  o 7.5680  2.0980 -1.220000      4.195000  
1 1 1 7  16 71  o 5.0040  1.6970 -1.897000      3.393000  
1 1 1 7  16 72  o 6.0210  1.8910 -0.1721000E-01 3.783000  
1 1 1 7  16 73  o 5.6860  1.8180 0.7679000      3.637000  
1 1 1 7  16 74  f 6.6890  2.0040 -0.2409000     4.007000  
1 1 1 7  16 75  o 5.4960  1.8020 0.1522000      3.605000  
1 1 1 7  16 76  o 4.7850  1.6400 -1.383000      3.281000  
1 1 1 7  16 77  o 5.5830  1.8270 -2.211000      3.653000  
1 1 1 7  16 78  o 5.4310  1.7880 0.2984000      3.576000  
1 1 1 7  16 79  o 5.2120  1.7550 -0.8399000     3.509000  
1 1 1 7  16 80  o 5.0800  1.7120 0.6182000      3.423000  
1 1 1 7  16 81  o 5.7850  1.9190 1.297000       3.838000  
1 1 1 7  16 82  o 3.9870  1.4270 0.3816000      2.855000  
1 1 1 7  16 83  o 4.0200  1.4250 0.5549000      2.850000  
1 1 1 7  16 84  o 4.3320  1.4740 0.3085000      2.948000  
1 1 1 7  16 85  o 5.0710  1.7260 0.8117000E-01  3.452000  
1 1 1 7  16 86  o 3.8650  1.9500 ?              ?         
1 1 1 7  17 0   o 10.840  0.8471 -0.000000      0.000000  
1 1 1 7  17 1   o 28.780  0.5751 2.502000       1.150000  
1 1 1 7  17 2   o 47.650  0.6715 0.4125000      1.343000  
1 1 1 7  17 3   o 26.750  0.4855 -2.468000      0.9709000 
1 1 1 7  17 4   o 18.030  0.4274 -1.934000      0.8549000 
1 1 1 7  17 5   o 54.920  0.8326 -0.8954000     1.665000  
1 1 1 7  17 6   o 44.370  0.8117 -5.046000      1.623000  
1 1 1 7  17 7   o 59.380  0.8304 0.2414000E-01  1.661000  
1 1 1 7  17 8   o 24.050  0.5145 1.470000       1.029000  
1 1 1 7  17 9   o 16.400  0.4812 1.597000       0.9624000 
1 1 1 7  17 10  o 47.580  0.6716 0.4707000      1.343000  
1 1 1 7  17 11  o 16.230  0.4553 -2.833000      0.9106000 
1 1 1 7  17 12  o 37.220  0.5905 2.109000       1.181000  
1 1 1 7  17 13  o 42.630  0.6120 1.824000       1.224000  
1 1 1 7  17 14  o 39.370  0.5731 -1.063000      1.146000  
1 1 1 7  17 15  o 29.230  0.4943 -3.767000      0.9886000 
1 1 1 7  17 16  o 55.530  0.8481 3.113000       1.696000  
1 1 1 7  17 17  o 49.060  0.8096 -2.059000      1.619000  
1 1 1 7  17 18  o 48.060  0.6833 0.9129000      1.367000  
1 1 1 7  17 19  o 13.150  0.5312 1.281000       1.062000  
1 1 1 7  17 20  o 9.4600  0.6779 2.423000       1.356000  
1 1 1 7  17 21  o 48.040  0.7451 1.572000       1.490000  
1 1 1 7  17 22  o 40.670  0.5974 -0.8928000E-01 1.195000  
1 1 1 7  17 23  o 18.720  0.4758 -1.248000      0.9516000 
1 1 1 7  17 24  o 15.660  0.4342 -0.3481000E-01 0.8684000 
1 1 1 7  17 25  o 13.720  0.4889 -0.9530000     0.9779000 
1 1 1 7  17 26  o 15.100  0.4875 0.6741000E-02  0.9749000 
1 1 1 7  17 27  o 12.870  0.5272 -1.362000      1.054000  
1 1 1 7  17 28  f 9.4150  0.7413 2.785000       1.483000  
1 1 1 7  17 29  o 40.100  0.6441 -0.6355000     1.288000  
1 1 1 7  17 30  o 18.730  0.5752 -1.330000      1.150000  
1 1 1 7  17 31  o 37.860  0.6208 0.5502000      1.242000  
1 1 1 7  17 32  o 26.090  0.7229 -5.596000      1.446000  
1 1 1 7  17 33  o 10.710  0.7341 0.4650000      1.468000  
1 1 1 7  17 34  o 33.700  0.6283 -0.8768000     1.257000  
1 1 1 7  17 35  o 14.780  0.8147 -0.8332000     1.629000  
1 1 1 7  17 36  o 38.140  0.6867 -0.6826000     1.373000  
1 1 1 7  17 37  o 21.950  0.6869 -3.999000      1.374000  
1 1 1 7  17 38  o 25.500  0.5705 -0.3272000     1.141000  
1 1 1 7  17 39  o 16.190  0.6439 -0.1771000     1.288000  
1 1 1 7  17 40  o 5.0760  1.2870 1.390000       2.574000  
1 1 1 7  17 41  o 9.3520  1.0070 0.7029000      2.013000  
1 1 1 7  17 42  f 34.380  0.6589 0.5806000      1.318000  
1 1 1 7  17 43  o 15.250  0.8638 -3.146000      1.728000  
1 1 1 7  17 44  o 21.420  0.6187 0.7325000      1.237000  
1 1 1 7  17 45  o 4.8830  1.3250 1.158000       2.651000  
1 1 1 7  17 46  o 11.370  0.9247 0.6351000      1.849000  
1 1 1 7  17 47  o 12.470  0.8740 -1.149000      1.748000  
1 1 1 7  17 48  o 6.5830  1.4000 0.7573000      2.800000  
1 1 1 7  17 49  o 11.130  1.0230 0.1325000      2.046000  
1 1 1 7  17 50  o 32.820  0.6967 -1.767000      1.393000  
1 1 1 7  17 51  o 17.160  0.7380 0.2841000      1.476000  
1 1 1 7  17 52  o 6.9190  1.3630 3.134000       2.726000  
1 1 1 7  17 53  o 11.190  0.9983 -0.9150000E-01 1.997000  
1 1 1 7  17 54  o 12.890  1.1740 1.440000       2.349000  
1 1 1 7  17 55  o 17.350  0.9893 -0.3381000     1.979000  
1 1 1 7  17 56  o 13.260  1.2670 -0.9102000     2.533000  
1 1 1 7  17 57  o 7.4530  1.6900 0.2888000      3.379000  
1 1 1 7  17 58  o 6.0400  1.6580 0.6487000      3.316000  
1 1 1 7  17 59  o 6.2800  1.6920 1.863000       3.385000  
1 1 1 7  17 60  o 7.8670  1.7060 0.4677000      3.411000  
1 1 1 7  17 61  o 5.3390  1.5880 1.012000       3.176000  
1 1 1 7  17 62  o 7.6140  1.5840 -2.900000      3.168000  
1 1 1 7  17 63  o 6.8960  1.4750 -3.951000      2.950000  
1 1 1 7  17 64  o 11.850  1.8490 4.451000       3.699000  
1 1 1 7  17 65  f 8.4610  2.1100 0.2361000      4.221000  
1 1 1 7  17 66  o 7.2360  2.0150 -2.458000      4.031000  
1 1 1 7  17 67  o 7.2150  2.0420 -0.5800000     4.084000  
1 1 1 7  17 68  f 6.9720  1.9150 3.374000       3.829000  
1 1 1 7  17 69  o 7.3930  2.2420 -1.808000      4.483000  
1 1 1 7  17 70  o 6.2890  1.9770 0.7483000      3.954000  
1 1 1 7  17 71  o 4.9070  1.6480 -0.3123000     3.295000  
1 1 1 7  17 72  o 4.8910  1.6540 -0.2548000     3.307000  
1 1 1 7  17 73  o 5.9810  1.8930 -0.9517000E-01 3.786000  
1 1 1 7  17 74  o 4.5930  1.5750 0.7807000      3.149000  
1 1 1 7  17 75  o 4.9820  1.6940 0.2808000E-01  3.387000  
1 1 1 7  17 76  o 5.8260  1.8950 -0.2989000     3.791000  
1 1 1 7  17 77  o 5.3940  1.8030 -0.5828000     3.606000  
1 1 1 7  17 78  o 4.8920  1.6600 -0.1771000E-02 3.319000  
1 1 1 7  17 79  o 4.7180  1.5970 -0.4680000     3.194000  
1 1 1 7  17 80  o 3.8070  1.3520 -0.5028000E-01 2.705000  
1 1 1 7  17 81  o 5.2850  1.7090 0.1655000      3.419000  
1 1 1 7  17 82  o 3.8930  1.3280 -0.2049000     2.656000  
1 1 1 7  17 83  o 4.2320  1.4750 1.307000       2.950000  
1 1 1 7  17 84  o 3.5240  1.7980 ?              ?         
1 1 1 7  18 0   o 113.300 2.2170 -0.000000      0.000000  
1 1 1 7  18 1   o 40.680  1.1780 ?              ?         
1 1 1 7  18 2   o 64.130  0.8936 -0.4316000     1.787000  
1 1 1 7  18 3   o 40.160  0.7431 3.916000       1.486000  
1 1 1 7  18 4   o 12.140  0.6173 3.296000       1.235000  
1 1 1 7  18 5   o 11.940  0.4330 0.3721000      0.8660000 
1 1 1 7  18 6   o 12.560  0.5525 -1.683000      1.105000  
1 1 1 7  18 7   o 39.980  0.5772 0.3284000      1.154000  
1 1 1 7  18 8   o 36.960  0.5869 0.7776000      1.174000  
1 1 1 7  18 9   o 30.150  0.5980 3.553000       1.196000  
1 1 1 7  18 10  o 39.750  0.6219 -0.5857000     1.244000  
1 1 1 7  18 11  o 42.910  0.6164 0.6951000      1.233000  
1 1 1 7  18 12  o 18.880  0.5507 -1.223000      1.101000  
1 1 1 7  18 13  o 35.320  0.5217 0.3169000      1.043000  
1 1 1 7  18 14  o 20.380  0.4262 1.289000       0.8523000 
1 1 1 7  18 15  o 13.120  0.5205 0.2534000      1.041000  
1 1 1 7  18 16  o 31.270  0.5214 -0.3366000     1.043000  
1 1 1 7  18 17  o 23.450  0.4862 0.7684000      0.9725000 
1 1 1 7  18 18  o 18.150  0.4068 -0.4009000     0.8135000 
1 1 1 7  18 19  f 37.130  0.5516 0.6587000      1.103000  
1 1 1 7  18 20  o 14.350  0.5334 -1.390000      1.067000  
1 1 1 7  18 21  o 23.420  0.4238 -0.5262000     0.8475000 
1 1 1 7  18 22  o 6.8810  0.9283 -1.710000      1.857000  
1 1 1 7  18 23  o 18.670  0.4233 0.2778000      0.8465000 
1 1 1 7  18 24  o 11.650  0.5270 0.8775000      1.054000  
1 1 1 7  18 25  o 6.0250  0.9782 0.4728000      1.956000  
1 1 1 7  18 26  o 18.720  0.4369 -0.6680000     0.8738000 
1 1 1 7  18 27  f 16.690  0.5047 0.4058000      1.009000  
1 1 1 7  18 28  o 31.860  0.5540 -0.6054000     1.108000  
1 1 1 7  18 29  o 37.990  0.6248 -0.8543000     1.250000  
1 1 1 7  18 30  o 13.330  0.7211 0.3381000      1.442000  
1 1 1 7  18 31  o 47.330  0.7460 1.032000       1.492000  
1 1 1 7  18 32  o 27.450  0.6457 -1.063000      1.291000  
1 1 1 7  18 33  f 38.750  0.6884 -0.9291000     1.377000  
1 1 1 7  18 34  o 16.650  0.7474 -3.223000      1.495000  
1 1 1 7  18 35  o 4.4670  1.2110 0.9777000      2.422000  
1 1 1 7  18 36  o 11.930  0.7517 -0.5447000E-01 1.503000  
1 1 1 7  18 37  o 15.910  0.6456 -0.1418000     1.291000  
1 1 1 7  18 38  o 19.010  0.6095 -1.117000      1.219000  
1 1 1 7  18 39  o 25.790  0.6028 0.3943000E-01  1.206000  
1 1 1 7  18 40  o 22.990  0.6032 0.4263000      1.206000  
1 1 1 7  18 41  o 21.210  0.6242 -0.4714000     1.248000  
1 1 1 7  18 42  o 42.220  0.7619 -0.1491000     1.524000  
1 1 1 7  18 43  o 5.9320  1.4540 -0.6845000E-01 2.907000  
1 1 1 7  18 44  o 11.160  0.8985 -1.291000      1.797000  
1 1 1 7  18 45  o 26.720  0.6285 1.307000       1.257000  
1 1 1 7  18 46  o 18.420  0.7161 -0.1828000     1.432000  
1 1 1 7  18 47  o 21.710  0.6428 -0.4433000     1.286000  
1 1 1 7  18 48  o 16.390  0.7084 -0.8548000     1.417000  
1 1 1 7  18 49  o 4.5360  1.3290 0.1146000      2.659000  
1 1 1 7  18 50  o 7.5990  1.4300 0.3103000      2.860000  
1 1 1 7  18 51  o 9.3330  1.1850 -0.4418000     2.370000  
1 1 1 7  18 52  o 9.9430  1.1230 1.715000       2.246000  
1 1 1 7  18 53  f 22.700  0.6824 -0.4987000     1.365000  
1 1 1 7  18 54  o 16.840  0.7717 -1.123000      1.543000  
1 1 1 7  18 55  f 16.460  0.7546 -0.1300000     1.509000  
1 1 1 7  18 56  o 5.6250  1.4410 0.9568000      2.882000  
1 1 1 7  18 57  o 6.9430  1.4540 -1.925000      2.909000  
1 1 1 7  18 58  o 8.1230  1.3410 2.324000       2.682000  
1 1 1 7  18 59  o 7.8870  1.6540 -1.201000      3.308000  
1 1 1 7  18 60  o 4.6170  1.4890 1.412000       2.978000  
1 1 1 7  18 61  o 5.8910  1.6550 -0.9862000E-01 3.311000  
1 1 1 7  18 62  o 5.7170  1.6430 -0.1971000     3.286000  
1 1 1 7  18 63  o 6.4940  1.7370 1.952000       3.474000  
1 1 1 7  18 64  o 5.3730  1.6300 2.528000       3.261000  
1 1 1 7  18 65  o 5.0450  1.5340 -0.2600000     3.067000  
1 1 1 7  18 66  o 5.1060  1.5780 0.6496000      3.157000  
1 1 1 7  18 67  o 4.7600  1.5000 0.2244000E-01  3.000000  
1 1 1 7  18 68  o 5.4040  1.6450 1.163000       3.290000  
1 1 1 7  18 69  o 4.7390  1.5930 0.7870000      3.186000  
1 1 1 7  18 70  o 7.5990  2.0430 1.410000       4.085000  
1 1 1 7  18 71  o 6.6090  1.9320 2.069000       3.863000  
1 1 1 7  18 72  o 5.8480  1.8750 -0.8307000     3.750000  
1 1 1 7  18 73  o 4.5490  1.5790 -0.4779000     3.158000  
1 1 1 7  18 74  o 5.1130  1.7260 -0.2041000     3.451000  
1 1 1 7  18 75  o 4.6220  1.5980 -0.2766000     3.196000  
1 1 1 7  18 76  o 4.6800  1.5930 0.8211000      3.186000  
1 1 1 7  18 77  o 4.7360  1.6300 0.3315000      3.261000  
1 1 1 7  18 78  o 4.3360  1.5250 0.1019000      3.050000  
1 1 1 7  18 79  o 3.7060  1.3030 -0.8122000     2.606000  
1 1 1 7  18 80  o 3.9110  1.3260 -0.7095000E-01 2.653000  
1 1 1 7  18 81  o 3.9600  1.3720 -0.2218000     2.744000  
1 1 1 7  18 82  o 3.2340  1.6590 ?              ?         
1 1 1 7  19 0   o 62.700  1.2380 -0.000000      0.000000  
1 1 1 7  19 1   o 33.660  0.6520 -8.902000      1.304000  
1 1 1 7  19 2   o 30.580  0.5102 1.084000       1.020000  
1 1 1 7  19 3   o 24.690  0.4176 -0.6348000     0.8353000 
1 1 1 7  19 4   o 15.750  0.4388 -0.7441000E-01 0.8775000 
1 1 1 7  19 5   o 21.840  0.4740 1.164000       0.9481000 
1 1 1 7  19 6   o 75.070  1.1350 1.197000       2.270000  
1 1 1 7  19 7   o 45.040  0.8519 -7.045000      1.704000  
1 1 1 7  19 8   o 35.030  0.6817 -2.684000      1.363000  
1 1 1 7  19 9   o 36.060  0.5348 0.3351000      1.070000  
1 1 1 7  19 10  o 20.530  0.5321 -5.518000      1.064000  
1 1 1 7  19 11  o 31.800  0.4878 -0.1772000     0.9757000 
1 1 1 7  19 12  o 16.530  0.5914 -3.420000      1.183000  
1 1 1 7  19 13  o 37.700  0.5555 1.146000       1.111000  
1 1 1 7  19 14  o 33.450  0.5096 -0.6220000     1.019000  
1 1 1 7  19 15  o 22.500  0.4568 -2.516000      0.9136000 
1 1 1 7  19 16  o 14.780  0.5226 0.1243000E-01  1.045000  
1 1 1 7  19 17  o 14.860  0.4484 -1.310000      0.8967000 
1 1 1 7  19 18  f 38.730  0.5740 0.3345000      1.148000  
1 1 1 7  19 19  o 37.140  0.5588 -0.8725000E-01 1.118000  
1 1 1 7  19 20  o 24.840  0.4939 0.6982000      0.9878000 
1 1 1 7  19 21  o 16.600  0.4378 0.1132000E-01  0.8756000 
1 1 1 7  19 22  o 21.870  0.4380 -1.470000      0.8760000 
1 1 1 7  19 23  o 13.720  0.5980 -4.384000      1.196000  
1 1 1 7  19 24  o 41.460  0.6115 -0.6998000     1.223000  
1 1 1 7  19 25  o 17.200  0.5454 0.3881000      1.091000  
1 1 1 7  19 26  o 24.510  0.4619 -0.2252000     0.9237000 
1 1 1 7  19 27  o 43.500  0.6418 0.6037000      1.284000  
1 1 1 7  19 28  o 17.830  0.5504 -0.7711000     1.101000  
1 1 1 7  19 29  o 45.270  0.7221 1.057000       1.444000  
1 1 1 7  19 30  o 38.620  0.6929 -1.555000      1.386000  
1 1 1 7  19 31  o 38.610  0.6457 -1.879000      1.291000  
1 1 1 7  19 32  o 29.440  0.5493 -0.8195000     1.099000  
1 1 1 7  19 33  o 10.350  0.8111 -0.8928000     1.622000  
1 1 1 7  19 34  o 9.4140  1.0210 -3.437000      2.042000  
1 1 1 7  19 35  o 24.380  0.5801 -0.4294000     1.160000  
1 1 1 7  19 36  o 17.750  0.6839 1.859000       1.368000  
1 1 1 7  19 37  o 5.8600  1.2880 -1.549000      2.576000  
1 1 1 7  19 38  o 15.700  0.6816 -1.068000      1.363000  
1 1 1 7  19 39  o 23.100  0.5992 -0.8907000     1.198000  
1 1 1 7  19 40  o 12.680  0.8188 1.409000       1.638000  
1 1 1 7  19 41  o 12.330  0.8440 -1.829000      1.688000  
1 1 1 7  19 42  o 13.230  0.8086 -0.5818000     1.617000  
1 1 1 7  19 43  o 17.740  0.6817 -2.332000      1.363000  
1 1 1 7  19 44  o 24.050  0.6332 0.1066000      1.266000  
1 1 1 7  19 45  o 12.010  0.8943 -1.091000      1.789000  
1 1 1 7  19 46  o 8.5900  1.2130 0.1923000      2.426000  
1 1 1 7  19 47  o 7.3330  1.3450 -1.363000      2.690000  
1 1 1 7  19 48  o 5.3460  1.3970 -0.5830000     2.794000  
1 1 1 7  19 49  o 17.290  0.7169 -1.360000      1.434000  
1 1 1 7  19 50  o 6.3800  1.3650 2.825000       2.730000  
1 1 1 7  19 51  o 8.6730  1.2330 -0.1797000     2.466000  
1 1 1 7  19 52  o 5.1240  1.3590 1.324000       2.718000  
1 1 1 7  19 53  o 10.800  1.0010 -0.2692000     2.001000  
1 1 1 7  19 54  o 4.4600  1.3370 0.1828000      2.675000  
1 1 1 7  19 55  o 7.6180  1.3560 -2.942000      2.711000  
1 1 1 7  19 56  o 3.9860  1.2620 0.6302000      2.525000  
1 1 1 7  19 57  o 12.820  0.9152 1.791000       1.830000  
1 1 1 7  19 58  o 8.1180  1.3610 0.9006000      2.723000  
1 1 1 7  19 59  o 8.2560  1.3440 3.750000       2.689000  
1 1 1 7  19 60  o 5.9730  1.4670 -2.026000      2.934000  
1 1 1 7  19 61  o 3.7410  1.2270 0.2811000E-01  2.453000  
1 1 1 7  19 62  o 6.0890  1.4880 -0.3033000E-01 2.977000  
1 1 1 7  19 63  o 5.0760  1.4250 -0.9223000     2.850000  
1 1 1 7  19 64  o 4.2770  1.4060 0.3812000      2.813000  
1 1 1 7  19 65  o 5.1560  1.5010 -1.521000      3.002000  
1 1 1 7  19 66  o 6.7770  1.7220 3.821000       3.444000  
1 1 1 7  19 67  o 4.7040  1.4770 -0.7396000     2.953000  
1 1 1 7  19 68  o 4.6510  1.5130 1.313000       3.027000  
1 1 1 7  19 69  o 5.0210  1.5900 1.981000       3.179000  
1 1 1 7  19 70  o 4.9230  1.5400 -0.1779000E-01 3.080000  
1 1 1 7  19 71  o 5.1670  1.6210 1.912000       3.242000  
1 1 1 7  19 72  o 5.0410  1.5960 0.8376000      3.193000  
1 1 1 7  19 73  o 3.9240  1.3170 -0.2008000     2.634000  
1 1 1 7  19 74  o 5.3630  1.7370 -0.7685000     3.474000  
1 1 1 7  19 75  o 4.3400  1.4910 0.9864000      2.982000  
1 1 1 7  19 76  o 4.1250  1.4350 -0.3538000     2.871000  
1 1 1 7  19 77  o 3.6380  1.2750 -0.7911000E-01 2.550000  
1 1 1 7  19 78  o 4.7660  1.5100 0.8030000      3.020000  
1 1 1 7  19 79  o 3.9430  1.3750 0.3564000      2.750000  
1 1 1 7  19 80  o 3.6020  1.8280 ?              ?         
1 1 1 7  20 0   f 20.320  0.5756 -0.000000      0.000000  
1 1 1 7  20 1   o 23.680  0.5449 2.674000       1.090000  
1 1 1 7  20 2   o 46.650  0.6670 0.7482000      1.334000  
1 1 1 7  20 3   o 26.110  0.6238 -4.508000      1.248000  
1 1 1 7  20 4   o 64.850  0.9141 0.3008000      1.828000  
1 1 1 7  20 5   o 14.320  0.9451 ?              ?         
1 1 1 7  20 6   o 24.090  0.5531 -8.356000      1.106000  
1 1 1 7  20 7   o 56.430  0.7993 2.101000       1.599000  
1 1 1 7  20 8   o 19.800  0.4954 5.174000       0.9909000 
1 1 1 7  20 9   o 17.010  0.4241 -0.3918000     0.8482000 
1 1 1 7  20 10  o 9.9870  0.6798 -1.499000      1.360000  
1 1 1 7  20 11  o 12.630  0.5173 0.5010000      1.035000  
1 1 1 7  20 12  o 26.290  0.4465 0.1199000      0.8930000 
1 1 1 7  20 13  o 24.080  0.4305 0.9763000      0.8610000 
1 1 1 7  20 14  o 8.8720  0.7643 3.638000       1.529000  
1 1 1 7  20 15  o 19.100  0.4228 -0.5897000     0.8455000 
1 1 1 7  20 16  o 15.830  0.4407 -1.386000      0.8814000 
1 1 1 7  20 17  o 16.930  0.5876 0.3935000      1.175000  
1 1 1 7  20 18  f 43.280  0.6341 0.6392000      1.268000  
1 1 1 7  20 19  o 23.790  0.6091 -3.455000      1.218000  
1 1 1 7  20 20  o 29.590  0.4860 -0.8381000     0.9721000 
1 1 1 7  20 21  o 17.270  0.7509 13.76000       1.502000  
1 1 1 7  20 22  o 34.320  0.5341 -0.2501000     1.068000  
1 1 1 7  20 23  o 13.940  0.6993 1.859000       1.399000  
1 1 1 7  20 24  o 14.880  0.5059 -1.788000      1.012000  
1 1 1 7  20 25  o 9.5340  0.6882 -1.474000      1.376000  
1 1 1 7  20 26  o 20.490  0.4668 -1.647000      0.9337000 
1 1 1 7  20 27  o 19.960  0.4698 -0.1972000     0.9395000 
1 1 1 7  20 28  o 20.660  0.4737 0.5797000      0.9474000 
1 1 1 7  20 29  o 29.900  0.5095 0.4297000      1.019000  
1 1 1 7  20 30  f 14.340  0.7493 4.410000       1.499000  
1 1 1 7  20 31  o 13.280  0.6518 0.5748000      1.304000  
1 1 1 7  20 32  f 24.130  0.5271 0.2758000      1.054000  
1 1 1 7  20 33  o 8.0630  1.0670 1.580000       2.134000  
1 1 1 7  20 34  o 12.370  0.6872 -0.5663000     1.374000  
1 1 1 7  20 35  o 11.920  0.7455 -0.1499000     1.491000  
1 1 1 7  20 36  o 8.6520  1.1070 -1.584000      2.215000  
1 1 1 7  20 37  o 5.7840  1.3340 -0.4221000     2.667000  
1 1 1 7  20 38  o 13.560  0.7247 -1.505000      1.449000  
1 1 1 7  20 39  f 11.820  0.8237 -0.3119000     1.647000  
1 1 1 7  20 40  o 11.450  0.8690 0.3521000      1.738000  
1 1 1 7  20 41  o 4.6870  1.3160 0.3227000      2.632000  
1 1 1 7  20 42  o 6.2280  1.1730 -4.965000      2.345000  
1 1 1 7  20 43  o 28.890  0.6430 0.9394000      1.286000  
1 1 1 7  20 44  o 16.930  0.7170 -0.2945000E-01 1.434000  
1 1 1 7  20 45  o 10.490  1.0030 -0.2986000     2.005000  
1 1 1 7  20 46  o 3.9270  1.2290 0.6505000      2.458000  
1 1 1 7  20 47  o 10.690  0.9960 -1.337000      1.992000  
1 1 1 7  20 48  o 8.6840  1.1720 -0.6889000     2.345000  
1 1 1 7  20 49  o 15.860  0.7342 0.4710000      1.468000  
1 1 1 7  20 50  o 3.6860  1.1730 -1.562000      2.346000  
1 1 1 7  20 51  o 8.6770  1.2320 -2.078000      2.464000  
1 1 1 7  20 52  o 8.1670  1.3320 0.5464000      2.664000  
1 1 1 7  20 53  o 7.4240  1.4230 0.5438000      2.846000  
1 1 1 7  20 54  o 8.9030  1.3200 0.4945000      2.640000  
1 1 1 7  20 55  o 6.2350  1.4120 -2.380000      2.824000  
1 1 1 7  20 56  o 7.7700  1.3750 -1.127000      2.751000  
1 1 1 7  20 57  o 7.8250  1.4090 0.5899000      2.818000  
1 1 1 7  20 58  o 6.4230  1.4670 1.637000       2.934000  
1 1 1 7  20 59  o 7.3570  1.4740 -0.2736000     2.948000  
1 1 1 7  20 60  o 5.4920  1.3880 -2.493000      2.776000  
1 1 1 7  20 61  o 9.6570  1.2530 -0.9523000E-01 2.506000  
1 1 1 7  20 62  o 10.150  1.2190 -0.6678000     2.437000  
1 1 1 7  20 63  o 5.2190  1.4580 -0.3937000     2.917000  
1 1 1 7  20 64  o 6.3070  1.5140 0.4212000      3.029000  
1 1 1 7  20 65  o 5.3940  1.5000 -0.7580000     3.000000  
1 1 1 7  20 66  o 4.6060  1.3980 -0.7035000     2.796000  
1 1 1 7  20 67  o 4.6400  1.3670 -1.878000      2.734000  
1 1 1 7  20 68  o 3.8260  1.2550 -0.1661000     2.509000  
1 1 1 7  20 69  o 9.7270  1.7340 2.968000       3.468000  
1 1 1 7  20 70  o 4.3710  1.4090 -0.6981000     2.819000  
1 1 1 7  20 71  o 4.5770  1.4390 -0.7938000     2.878000  
1 1 1 7  20 72  o 4.8000  1.5370 1.886000       3.073000  
1 1 1 7  20 73  o 4.5490  1.4960 1.467000       2.991000  
1 1 1 7  20 74  o 6.1760  1.6410 -1.330000      3.281000  
1 1 1 7  20 75  o 4.3160  1.3890 -0.6879000E-02 2.778000  
1 1 1 7  20 76  o 3.4610  1.1900 0.7428000      2.381000  
1 1 1 7  20 77  f 4.3960  1.5420 -0.7805000     3.084000  
1 1 1 7  21 0   f 17.490  0.7025 0.000000       0.000000  
1 1 1 7  21 1   o 28.050  0.5041 -0.2831000     1.008000  
1 1 1 7  21 2   o 31.290  0.4909 0.6664000      0.9817000 
1 1 1 7  21 3   o 14.850  0.6287 1.911000       1.257000  
1 1 1 7  21 4   o 18.920  0.5670 2.681000       1.134000  
1 1 1 7  21 5   o 39.370  0.5804 -0.1858000     1.161000  
1 1 1 7  21 6   o 25.930  0.6177 -12.03000      1.235000  
1 1 1 7  21 7   o 31.990  0.5010 0.4244000      1.002000  
1 1 1 7  21 8   o 36.340  0.5492 -0.7403000     1.098000  
1 1 1 7  21 9   o 26.230  0.4922 0.3961000      0.9845000 
1 1 1 7  21 10  o 8.6410  0.9524 0.3179000E-02  1.905000  
1 1 1 7  21 11  o 14.850  0.4571 0.4998000      0.9141000 
1 1 1 7  21 12  o 6.1030  0.9592 -0.4980000     1.918000  
1 1 1 7  21 13  o 11.650  0.5475 -1.372000      1.095000  
1 1 1 7  21 14  o 14.650  0.4718 -0.8098000     0.9436000 
1 1 1 7  21 15  o 20.280  0.5116 -0.9373000     1.023000  
1 1 1 7  21 16  o 43.790  0.6398 0.6145000      1.280000  
1 1 1 7  21 17  o 28.820  0.6256 6.252000       1.251000  
1 1 1 7  21 18  o 12.790  0.5858 -2.931000      1.172000  
1 1 1 7  21 19  f 13.180  0.5325 -1.429000      1.065000  
1 1 1 7  21 20  o 12.370  0.6195 0.4865000      1.239000  
1 1 1 7  21 21  o 35.250  0.5471 0.2931000      1.094000  
1 1 1 7  21 22  o 24.910  0.5510 0.4971000      1.102000  
1 1 1 7  21 23  o 11.900  0.6021 -0.7358000     1.204000  
1 1 1 7  21 24  f 21.090  0.4641 0.1003000      0.9283000 
1 1 1 7  21 25  o 21.890  0.4687 -0.3109000     0.9373000 
1 1 1 7  21 26  o 30.740  0.5143 -0.6499000     1.029000  
1 1 1 7  21 27  o 33.860  0.5445 -0.2887000     1.089000  
1 1 1 7  21 28  o 27.400  0.5437 -3.376000      1.087000  
1 1 1 7  21 29  o 22.650  0.4891 0.9584000      0.9783000 
1 1 1 7  21 30  o 19.560  0.4999 -0.3925000     0.9998000 
1 1 1 7  21 31  o 40.490  0.6712 0.4883000      1.342000  
1 1 1 7  21 32  o 25.690  0.5447 -1.199000      1.089000  
1 1 1 7  21 33  o 5.7570  1.2680 -1.781000      2.535000  
1 1 1 7  21 34  o 13.000  0.6902 0.5490000      1.380000  
1 1 1 7  21 35  o 16.210  0.6060 0.5456000      1.212000  
1 1 1 7  21 36  o 31.470  0.5804 -0.5438000     1.161000  
1 1 1 7  21 37  o 14.430  0.9529 5.544000       1.906000  
1 1 1 7  21 38  o 8.3340  1.1590 -2.176000      2.317000  
1 1 1 7  21 39  o 13.520  0.7452 -0.2142000     1.490000  
1 1 1 7  21 40  o 12.670  0.8015 -1.476000      1.603000  
1 1 1 7  21 41  o 7.2280  1.2640 -0.4523000E-01 2.528000  
1 1 1 7  21 42  o 4.5080  1.2930 -0.2612000     2.587000  
1 1 1 7  21 43  o 11.420  0.9029 -1.035000      1.806000  
1 1 1 7  21 44  o 10.640  0.9543 -1.671000      1.909000  
1 1 1 7  21 45  o 12.860  0.8310 0.2875000      1.662000  
1 1 1 7  21 46  o 4.3530  1.2650 -1.877000      2.530000  
1 1 1 7  21 47  o 6.4480  1.3890 0.2513000      2.778000  
1 1 1 7  21 48  o 7.8370  1.2740 2.580000       2.549000  
1 1 1 7  21 49  o 9.2480  1.1820 -1.743000      2.363000  
1 1 1 7  21 50  o 5.4530  1.3660 2.302000       2.732000  
1 1 1 7  21 51  o 7.7260  1.3350 1.452000       2.669000  
1 1 1 7  21 52  o 7.4990  1.3720 0.3670000      2.745000  
1 1 1 7  21 53  o 7.5690  1.3940 0.4421000      2.788000  
1 1 1 7  21 54  o 12.180  0.9493 0.8237000      1.899000  
1 1 1 7  21 55  o 7.3870  1.3730 1.705000       2.747000  
1 1 1 7  21 56  o 4.2400  1.3130 -0.4256000     2.627000  
1 1 1 7  21 57  o 4.4830  1.3600 1.154000       2.719000  
1 1 1 7  21 58  f 14.740  0.8745 0.4908000      1.749000  
1 1 1 7  21 59  o 9.2180  1.2950 -0.1009000     2.590000  
1 1 1 7  21 60  o 4.4550  1.3560 0.7410000      2.712000  
1 1 1 7  21 61  f 6.9410  1.5200 -0.7052000     3.040000  
1 1 1 7  21 62  o 3.8500  1.2540 -0.5756000E-01 2.509000  
1 1 1 7  21 63  o 7.1070  1.4790 -0.8682000     2.958000  
1 1 1 7  21 64  o 7.3130  1.5030 -0.5989000     3.005000  
1 1 1 7  21 65  o 4.1050  1.3140 0.1572000      2.629000  
1 1 1 7  21 66  f 4.9000  1.4120 0.8508000      2.823000  
1 1 1 7  21 67  o 6.7070  1.5500 -0.3960000E-01 3.100000  
1 1 1 7  21 68  o 7.4170  1.5220 -0.3101000     3.044000  
1 1 1 7  21 69  o 4.2680  1.3330 0.2260000      2.667000  
1 1 1 7  21 70  o 4.7030  1.3900 -1.105000      2.780000  
1 1 1 7  21 71  o 4.8940  1.4360 0.6261000E-01  2.873000  
1 1 1 7  21 72  o 3.9870  1.2830 -0.4270000     2.566000  
1 1 1 7  21 73  o 4.1260  1.2770 -1.786000      2.554000  
1 1 1 7  21 74  o 4.5410  1.5710 0.7248000      3.142000  
1 1 1 7  21 75  o 3.6700  1.8690 ?              ?         
1 1 1 7  22 0   o 13.980  0.6989 0.000000       0.000000  
1 1 1 7  22 1   o 20.080  0.4726 1.115000       0.9453000 
1 1 1 7  22 2   o 22.300  0.4404 -0.3939000     0.8808000 
1 1 1 7  22 3   o 26.870  0.5458 3.809000       1.092000  
1 1 1 7  22 4   o 33.210  0.5167 0.9794000E-01  1.033000  
1 1 1 7  22 5   o 22.510  0.5981 -3.816000      1.196000  
1 1 1 7  22 6   o 34.700  0.5324 0.9784000      1.065000  
1 1 1 7  22 7   o 19.820  0.5806 7.946000       1.161000  
1 1 1 7  22 8   f 12.280  0.5902 0.2145000      1.180000  
1 1 1 7  22 9   o 7.0460  0.8956 -1.167000      1.791000  
1 1 1 7  22 10  o 7.5750  0.8377 0.8645000      1.675000  
1 1 1 7  22 11  o 18.130  0.5029 2.196000       1.006000  
1 1 1 7  22 12  o 25.570  0.4548 -0.2858000     0.9096000 
1 1 1 7  22 13  o 20.450  0.4456 0.9007000      0.8911000 
1 1 1 7  22 14  o 20.770  0.4460 -0.1904000     0.8921000 
1 1 1 7  22 15  o 14.010  0.5069 0.1018000      1.014000  
1 1 1 7  22 16  o 9.0230  0.7256 -0.2581000     1.451000  
1 1 1 7  22 17  o 17.770  0.4686 1.139000       0.9372000 
1 1 1 7  22 18  o 21.580  0.5290 -0.7708000     1.058000  
1 1 1 7  22 19  o 37.550  0.5727 -1.825000      1.145000  
1 1 1 7  22 20  o 17.740  0.6969 8.279000       1.394000  
1 1 1 7  22 21  o 10.190  0.6937 0.3863000      1.387000  
1 1 1 7  22 22  o 10.170  0.6796 -1.342000      1.359000  
1 1 1 7  22 23  o 28.460  0.5007 -1.100000      1.001000  
1 1 1 7  22 24  f 35.770  0.5668 0.3739000      1.134000  
1 1 1 7  22 25  o 45.370  0.6747 -0.9585000     1.349000  
1 1 1 7  22 26  o 16.810  0.6734 0.1416000      1.347000  
1 1 1 7  22 27  o 14.180  0.5639 0.3712000      1.128000  
1 1 1 7  22 28  o 10.760  0.6856 -1.162000      1.371000  
1 1 1 7  22 29  o 13.200  0.5793 -1.943000      1.159000  
1 1 1 7  22 30  o 8.6720  0.8733 -2.720000      1.747000  
1 1 1 7  22 31  o 14.050  0.5774 -1.200000      1.155000  
1 1 1 7  22 32  o 14.480  0.6384 -1.414000      1.277000  
1 1 1 7  22 33  o 5.8360  1.1670 -3.581000      2.333000  
1 1 1 7  22 34  o 3.8760  1.1490 0.7377000      2.297000  
1 1 1 7  22 35  o 20.970  0.5434 0.9727000E-01  1.087000  
1 1 1 7  22 36  o 8.4480  1.0100 -1.680000      2.020000  
1 1 1 7  22 37  o 20.500  0.5505 0.1287000      1.101000  
1 1 1 7  22 38  o 5.8600  1.3180 -2.008000      2.636000  
1 1 1 7  22 39  o 7.1280  1.2750 -0.3895000E-01 2.550000  
1 1 1 7  22 40  o 8.9920  1.1300 0.2134000      2.260000  
1 1 1 7  22 41  o 5.8040  1.3750 0.9126000      2.749000  
1 1 1 7  22 42  o 14.790  0.7472 2.768000       1.494000  
1 1 1 7  22 43  o 10.860  0.9593 0.4590000      1.919000  
1 1 1 7  22 44  o 9.9590  1.0570 -0.6276000     2.113000  
1 1 1 7  22 45  o 12.510  0.8247 -0.7423000     1.649000  
1 1 1 7  22 46  o 4.6450  1.3050 -1.037000      2.611000  
1 1 1 7  22 47  o 4.9910  1.2940 2.279000       2.588000  
1 1 1 7  22 48  o 3.9910  1.2450 0.5579000E-01  2.490000  
1 1 1 7  22 49  o 6.4740  1.4280 0.6733000      2.857000  
1 1 1 7  22 50  o 8.6370  1.2850 0.7053000      2.569000  
1 1 1 7  22 51  o 11.380  0.9892 0.8729000      1.978000  
1 1 1 7  22 52  o 8.5890  1.2890 -1.045000      2.578000  
1 1 1 7  22 53  o 11.360  1.0400 2.973000       2.081000  
1 1 1 7  22 54  f 5.8020  1.4200 1.040000       2.840000  
1 1 1 7  22 55  o 4.5060  1.3240 0.9636000      2.648000  
1 1 1 7  22 56  o 4.8760  1.3570 2.332000       2.714000  
1 1 1 7  22 57  o 11.350  1.1070 -0.6820000     2.214000  
1 1 1 7  22 58  o 8.2490  1.3890 1.868000       2.777000  
1 1 1 7  22 59  o 6.4480  1.4620 -0.4878000E-01 2.925000  
1 1 1 7  22 60  o 6.4390  1.4980 -0.9851000     2.995000  
1 1 1 7  22 61  o 6.9180  1.5270 0.1133000      3.053000  
1 1 1 7  22 62  o 4.6610  1.3830 -0.3303000     2.767000  
1 1 1 7  22 63  o 3.9840  1.2720 0.1054000      2.544000  
1 1 1 7  22 64  o 4.3240  1.3520 0.7763000      2.704000  
1 1 1 7  22 65  o 3.6430  1.2100 0.7327000      2.420000  
1 1 1 7  22 66  o 9.0500  1.3140 1.077000       2.627000  
1 1 1 7  22 67  o 5.9370  1.5120 0.9010000      3.024000  
1 1 1 7  22 68  o 3.7790  1.2360 0.4302000      2.471000  
1 1 1 7  22 69  o 3.5230  1.1670 -0.2146000     2.333000  
1 1 1 7  22 70  f 3.5950  1.1810 -0.8597000     2.363000  
1 1 1 7  22 71  o 3.7030  1.3020 1.814000       2.604000  
1 1 1 7  22 72  o 3.6800  1.8650 ?              ?         
1 1 1 7  23 0   o 49.470  1.0150 0.000000       0.000000  
1 1 1 7  23 1   o 40.040  0.7874 4.495000       1.575000  
1 1 1 7  23 2   o 20.310  0.5797 5.134000       1.159000  
1 1 1 7  23 3   o 13.350  0.5197 -0.4262000     1.039000  
1 1 1 7  23 4   o 14.600  0.5065 3.535000       1.013000  
1 1 1 7  23 5   o 24.780  0.4531 0.1988000      0.9063000 
1 1 1 7  23 6   o 26.400  0.5109 -2.367000      1.022000  
1 1 1 7  23 7   o 34.820  0.5420 1.652000       1.084000  
1 1 1 7  23 8   o 13.580  0.6936 1.843000       1.387000  
1 1 1 7  23 9   o 23.460  0.4944 -0.5285000     0.9887000 
1 1 1 7  23 10  o 24.620  0.4531 0.2495000E-01  0.9063000 
1 1 1 7  23 11  o 24.290  0.4569 -0.3366000     0.9139000 
1 1 1 7  23 12  o 17.720  0.4918 0.5167000      0.9836000 
1 1 1 7  23 13  o 13.960  0.5018 -0.2222000     1.004000  
1 1 1 7  23 14  o 9.4920  0.7038 -0.3554000     1.408000  
1 1 1 7  23 15  o 12.010  0.5663 -0.7579000     1.133000  
1 1 1 7  23 16  o 17.830  0.4633 -0.8073000     0.9266000 
1 1 1 7  23 17  o 9.1980  0.7087 0.3504000      1.417000  
1 1 1 7  23 18  o 16.420  0.4848 -0.5508000     0.9697000 
1 1 1 7  23 19  o 15.030  0.5518 -0.9783000     1.104000  
1 1 1 7  23 20  o 14.300  0.5251 -0.8138000E-01 1.050000  
1 1 1 7  23 21  o 9.9310  0.6864 -0.8209000E-01 1.373000  
1 1 1 7  23 22  f 20.670  0.4632 -0.4770000     0.9263000 
1 1 1 7  23 23  o 15.970  0.5091 -1.312000      1.018000  
1 1 1 7  23 24  f 13.730  0.5617 -1.236000      1.123000  
1 1 1 7  23 25  o 5.1830  1.1680 -0.8870000     2.336000  
1 1 1 7  23 26  o 9.6670  0.7755 -1.136000      1.551000  
1 1 1 7  23 27  o 23.960  0.4772 -0.6674000     0.9543000 
1 1 1 7  23 28  o 16.700  0.5486 0.7553000      1.097000  
1 1 1 7  23 29  o 7.4180  1.0190 0.5687000      2.038000  
1 1 1 7  23 30  f 11.030  0.6738 0.6837000      1.348000  
1 1 1 7  23 31  o 5.2080  1.1650 -1.689000      2.331000  
1 1 1 7  23 32  o 9.5530  0.7920 0.1570000      1.584000  
1 1 1 7  23 33  o 16.670  0.5972 0.5385000      1.194000  
1 1 1 7  23 34  o 7.1590  1.1510 1.481000       2.302000  
1 1 1 7  23 35  o 21.200  0.5456 1.223000       1.091000  
1 1 1 7  23 36  o 15.840  0.6213 0.7342000      1.243000  
1 1 1 7  23 37  o 18.420  0.5658 -1.058000      1.132000  
1 1 1 7  23 38  o 5.4860  1.2050 1.947000       2.411000  
1 1 1 7  23 39  o 19.640  0.6403 -0.2173000     1.281000  
1 1 1 7  23 40  o 11.310  0.9261 -0.9901000     1.852000  
1 1 1 7  23 41  o 5.2740  1.3760 -0.3036000     2.752000  
1 1 1 7  23 42  o 5.9170  1.3530 -2.454000      2.705000  
1 1 1 7  23 43  o 8.5050  1.2080 -2.342000      2.416000  
1 1 1 7  23 44  o 3.8100  1.2090 -0.2530000     2.418000  
1 1 1 7  23 45  o 12.590  0.8496 2.023000       1.699000  
1 1 1 7  23 46  o 10.030  1.0300 -1.696000      2.061000  
1 1 1 7  23 47  o 4.7190  1.3080 -1.787000      2.615000  
1 1 1 7  23 48  o 5.9840  1.4040 0.6685000      2.809000  
1 1 1 7  23 49  o 10.430  1.0540 -1.530000      2.109000  
1 1 1 7  23 50  o 5.2090  1.3240 3.034000       2.649000  
1 1 1 7  23 51  o 13.070  0.9232 -2.238000      1.846000  
1 1 1 7  23 52  o 12.980  0.9541 0.3704000      1.908000  
1 1 1 7  23 53  o 4.2490  1.2940 1.490000       2.587000  
1 1 1 7  23 54  o 10.330  1.1000 1.662000       2.200000  
1 1 1 7  23 55  o 3.2630  1.1000 -0.4209000     2.200000  
1 1 1 7  23 56  o 7.7980  1.3730 0.7401000      2.745000  
1 1 1 7  23 57  o 4.5290  1.3530 -0.5327000     2.706000  
1 1 1 7  23 58  o 3.8050  1.2260 0.5344000      2.452000  
1 1 1 7  23 59  o 4.2520  1.2960 -0.5444000     2.592000  
1 1 1 7  23 60  o 4.9800  1.4070 0.5318000      2.814000  
1 1 1 7  23 61  o 3.8130  1.2410 0.2333000E-01  2.482000  
1 1 1 7  23 62  o 4.2870  1.3220 0.6356000      2.645000  
1 1 1 7  23 63  o 5.3310  1.4380 -1.837000      2.876000  
1 1 1 7  23 64  o 3.3250  1.1350 1.051000       2.270000  
1 1 1 7  23 65  f 3.5590  1.1750 -1.137000      2.350000  
1 1 1 7  23 66  f 5.0260  1.3760 -1.111000      2.752000  
1 1 1 7  23 67  o 3.9370  1.2470 0.8016000      2.495000  
1 1 1 7  23 68  o 4.9120  1.4720 -1.459000      2.943000  
1 1 1 7  23 69  o 3.1150  1.6010 ?              ?         
1 1 1 7  24 0   o 22.810  0.8801 -0.000000      0.000000  
1 1 1 7  24 1   o 22.880  0.4512 -0.2203000     0.9023000 
1 1 1 7  24 2   o 20.610  0.4847 -2.207000      0.9694000 
1 1 1 7  24 3   o 23.750  0.4557 3.182000       0.9114000 
1 1 1 7  24 4   o 23.260  0.4499 -0.4780000     0.8997000 
1 1 1 7  24 5   o 21.990  0.4551 0.5407000      0.9102000 
1 1 1 7  24 6   o 12.040  0.6011 1.773000       1.202000  
1 1 1 7  24 7   o 9.5880  0.6758 -1.213000      1.352000  
1 1 1 7  24 8   o 15.960  0.4845 0.7613000      0.9691000 
1 1 1 7  24 9   o 16.820  0.4733 0.2323000      0.9467000 
1 1 1 7  24 10  o 16.260  0.4764 -0.7695000     0.9527000 
1 1 1 7  24 11  o 21.070  0.4559 0.6592000      0.9118000 
1 1 1 7  24 12  o 20.930  0.4610 -1.176000      0.9221000 
1 1 1 7  24 13  o 19.740  0.4847 -0.5458000E-01 0.9695000 
1 1 1 7  24 14  o 19.140  0.4685 0.9278000      0.9370000 
1 1 1 7  24 15  o 8.3050  0.8650 -3.343000      1.730000  
1 1 1 7  24 16  f 5.6910  1.0580 0.2994000      2.115000  
1 1 1 7  24 17  f 5.6170  1.0980 2.027000       2.196000  
1 1 1 7  24 18  o 16.400  0.4953 -1.225000      0.9905000 
1 1 1 7  24 19  o 11.040  0.6143 -0.5206000     1.229000  
1 1 1 7  24 20  o 16.740  0.4969 -1.026000      0.9939000 
1 1 1 7  24 21  o 18.890  0.4818 0.6594000      0.9636000 
1 1 1 7  24 22  o 14.780  0.5187 -0.4023000E-01 1.037000  
1 1 1 7  24 23  f 6.2510  1.0570 -1.994000      2.114000  
1 1 1 7  24 24  o 3.9780  1.0720 -1.734000      2.145000  
1 1 1 7  24 25  o 5.9350  1.0800 1.568000       2.160000  
1 1 1 7  24 26  o 4.5850  1.1740 0.2861000      2.347000  
1 1 1 7  24 27  o 6.2890  1.0950 -0.4924000     2.189000  
1 1 1 7  24 28  o 11.600  0.6339 1.383000       1.268000  
1 1 1 7  24 29  o 21.160  0.4826 0.8958000E-01  0.9652000 
1 1 1 7  24 30  o 9.4150  0.7798 -0.6130000     1.560000  
1 1 1 7  24 31  o 11.370  0.6574 -0.4826000     1.315000  
1 1 1 7  24 32  o 9.7300  0.7965 -2.134000      1.593000  
1 1 1 7  24 33  o 10.560  0.7254 1.032000       1.451000  
1 1 1 7  24 34  f 10.700  0.8439 -0.6169000     1.688000  
1 1 1 7  24 35  o 15.620  0.6346 -1.374000      1.269000  
1 1 1 7  24 36  o 7.9440  1.1170 -3.358000      2.233000  
1 1 1 7  24 37  o 8.3290  1.0700 1.930000       2.140000  
1 1 1 7  24 38  o 10.840  0.8374 -0.3044000     1.675000  
1 1 1 7  24 39  o 3.8440  1.1640 -0.2804000     2.329000  
1 1 1 7  24 40  o 4.9950  1.3260 0.9381000      2.653000  
1 1 1 7  24 41  f 13.030  0.8353 0.3478000      1.671000  
1 1 1 7  24 42  o 7.5120  1.3290 0.3415000      2.657000  
1 1 1 7  24 43  o 11.800  0.8858 -0.9241000     1.772000  
1 1 1 7  24 44  o 4.6050  1.3220 -0.1918000     2.643000  
1 1 1 7  24 45  o 3.8870  1.2300 0.4479000E-01  2.461000  
1 1 1 7  24 46  o 4.7090  1.3500 0.5274000      2.700000  
1 1 1 7  24 47  o 5.7280  1.4010 -1.330000      2.803000  
1 1 1 7  24 48  o 9.6280  1.1610 -2.625000      2.323000  
1 1 1 7  24 49  o 3.1950  1.0830 -0.9881000E-01 2.166000  
1 1 1 7  24 50  f 5.0930  1.3780 -1.369000      2.755000  
1 1 1 7  24 51  o 3.7470  1.2050 0.7302000E-01  2.410000  
1 1 1 7  24 52  o 4.0200  1.2640 -0.9796000E-01 2.529000  
1 1 1 7  24 53  o 5.3740  1.4240 0.9902000      2.848000  
1 1 1 7  24 54  f 3.9560  1.2580 0.1045000      2.517000  
1 1 1 7  24 55  o 4.2070  1.3060 -0.1836000     2.612000  
1 1 1 7  24 56  o 3.6960  1.2030 0.9606000      2.406000  
1 1 1 7  24 57  o 4.2740  1.3120 1.337000       2.624000  
1 1 1 7  24 58  o 5.0630  1.3940 2.072000       2.788000  
1 1 1 7  24 59  o 3.4720  1.1530 -0.4806000     2.306000  
1 1 1 7  24 60  o 4.9750  1.4110 0.3567000      2.823000  
1 1 1 7  24 61  o 3.7300  1.2240 0.2574000      2.448000  
1 1 1 7  24 62  o 6.2990  1.3920 -3.170000      2.784000  
1 1 1 7  24 63  o 3.7440  1.2100 -0.5313000     2.419000  
1 1 1 7  24 64  o 6.2010  1.4250 -1.763000      2.849000  
1 1 1 7  24 65  o 3.7120  1.8750 ?              ?         
1 1 1 7  25 0   o 7.1470  1.3830 0.000000       0.000000  
1 1 1 7  25 1   o 11.570  0.5843 0.7776000      1.169000  
1 1 1 7  25 2   f 12.310  0.5647 0.2692000      1.129000  
1 1 1 7  25 3   o 8.6700  0.7409 1.280000       1.482000  
1 1 1 7  25 4   o 13.500  0.5399 0.5778000      1.080000  
1 1 1 7  25 5   f 9.8850  0.7494 -0.8717000     1.499000  
1 1 1 7  25 6   o 15.220  0.4794 0.3507000      0.9587000 
1 1 1 7  25 7   o 10.920  0.6380 -0.5934000     1.276000  
1 1 1 7  25 8   o 8.4400  0.8230 -1.467000      1.646000  
1 1 1 7  25 9   o 17.460  0.5062 -0.3182000     1.012000  
1 1 1 7  25 10  o 28.400  0.4919 -0.9694000     0.9839000 
1 1 1 7  25 11  o 13.530  0.6717 1.807000       1.343000  
1 1 1 7  25 12  o 12.210  0.5720 0.3645000E-01  1.144000  
1 1 1 7  25 13  o 8.3800  0.8202 0.1089000      1.640000  
1 1 1 7  25 14  o 11.520  0.5907 -0.2808000     1.181000  
1 1 1 7  25 15  o 6.2970  1.0830 1.132000       2.165000  
1 1 1 7  25 16  o 16.240  0.4894 0.3985000      0.9788000 
1 1 1 7  25 17  o 15.470  0.5074 1.142000       1.015000  
1 1 1 7  25 18  o 9.8860  0.7184 -1.133000      1.437000  
1 1 1 7  25 19  o 10.850  0.6497 -1.596000      1.299000  
1 1 1 7  25 20  o 20.510  0.4706 -1.207000      0.9412000 
1 1 1 7  25 21  o 15.600  0.5082 0.1622000      1.016000  
1 1 1 7  25 22  o 10.820  0.7038 2.783000       1.408000  
1 1 1 7  25 23  o 15.440  0.5265 0.8068000E-01  1.053000  
1 1 1 7  25 24  o 7.2550  0.9433 -1.591000      1.887000  
1 1 1 7  25 25  o 8.8160  0.8123 0.2015000      1.625000  
1 1 1 7  25 26  f 5.5450  1.1420 -1.423000      2.284000  
1 1 1 7  25 27  o 4.7180  1.1640 1.103000       2.328000  
1 1 1 7  25 28  o 4.3970  1.1400 -1.486000      2.280000  
1 1 1 7  25 29  o 10.090  0.7594 0.1284000E-01  1.519000  
1 1 1 7  25 30  o 6.0390  1.0560 -3.335000      2.112000  
1 1 1 7  25 31  o 3.6920  1.0890 -0.5231000     2.178000  
1 1 1 7  25 32  f 3.6880  1.1020 -0.3627000     2.204000  
1 1 1 7  25 33  o 3.1150  1.0010 0.4714000      2.002000  
1 1 1 7  25 34  o 10.150  0.7605 -0.4206000     1.521000  
1 1 1 7  25 35  o 9.4500  0.9498 0.9050000      1.900000  
1 1 1 7  25 36  o 8.3230  1.0580 0.4081000      2.116000  
1 1 1 7  25 37  o 6.3820  1.2030 -2.666000      2.407000  
1 1 1 7  25 38  o 10.370  0.8886 0.6260000      1.777000  
1 1 1 7  25 39  o 9.6740  0.9420 1.476000       1.884000  
1 1 1 7  25 40  o 5.9020  1.2680 -0.8347000     2.535000  
1 1 1 7  25 41  o 3.9490  1.2140 0.7307000      2.428000  
1 1 1 7  25 42  o 7.2330  1.3070 0.4012000      2.613000  
1 1 1 7  25 43  o 6.5930  1.3650 -0.5632000     2.730000  
1 1 1 7  25 44  o 8.5090  1.2280 1.463000       2.456000  
1 1 1 7  25 45  o 4.7440  1.3630 -0.7133000     2.725000  
1 1 1 7  25 46  f 7.1620  1.4180 0.4064000      2.836000  
1 1 1 7  25 47  o 4.5320  1.3240 1.556000       2.647000  
1 1 1 7  25 48  o 8.2060  1.3310 -1.364000      2.661000  
1 1 1 7  25 49  o 7.0470  1.4260 -0.7009000     2.853000  
1 1 1 7  25 50  o 3.9580  1.2480 0.1449000      2.495000  
1 1 1 7  25 51  o 5.0430  1.3760 0.6766000      2.753000  
1 1 1 7  25 52  o 4.5590  1.3020 -1.746000      2.603000  
1 1 1 7  25 53  o 4.2760  1.2550 -2.199000      2.509000  
1 1 1 7  25 54  o 5.2640  1.4220 -0.1362000     2.843000  
1 1 1 7  25 55  o 6.8340  1.4360 -0.4899000     2.872000  
1 1 1 7  25 56  o 4.9310  1.3870 -0.3220000     2.773000  
1 1 1 7  25 57  o 4.5780  1.3430 -0.8994000     2.686000  
1 1 1 7  25 58  o 3.7920  1.2290 -0.3423000     2.458000  
1 1 1 7  25 59  o 6.3070  1.4620 0.8454000      2.924000  
1 1 1 7  25 60  o 4.2000  1.2860 -0.9026000     2.572000  
1 1 1 7  25 61  o 4.4580  2.1750 ?              ?         
1 1 1 7  26 0   o 16.650  0.6946 -0.000000      0.000000  
1 1 1 7  26 1   o 13.190  0.5482 0.7010000E-02  1.096000  
1 1 1 7  26 2   o 14.560  0.5171 0.5822000      1.034000  
1 1 1 7  26 3   f 9.1120  0.7541 0.5470000      1.508000  
1 1 1 7  26 4   o 12.160  0.6778 3.082000       1.356000  
1 1 1 7  26 5   o 21.070  0.4645 -0.3862000     0.9290000 
1 1 1 7  26 6   o 17.750  0.4750 3.276000       0.9501000 
1 1 1 7  26 7   o 18.950  0.4762 0.1527000      0.9523000 
1 1 1 7  26 8   o 9.9800  0.7490 1.423000       1.498000  
1 1 1 7  26 9   o 9.5250  0.7311 -0.8149000     1.462000  
1 1 1 7  26 10  o 7.3280  0.9425 -3.158000      1.885000  
1 1 1 7  26 11  o 6.0290  1.0910 -0.7231000     2.181000  
1 1 1 7  26 12  o 10.640  0.6462 -1.026000      1.292000  
1 1 1 7  26 13  o 7.3420  0.9110 0.3492000      1.822000  
1 1 1 7  26 14  o 11.010  0.6392 -1.910000      1.278000  
1 1 1 7  26 15  o 12.060  0.6058 -0.8885000     1.212000  
1 1 1 7  26 16  o 16.800  0.4858 0.4634000      0.9716000 
1 1 1 7  26 17  o 12.540  0.6027 -1.039000      1.205000  
1 1 1 7  26 18  o 5.2920  1.1570 0.2043000      2.315000  
1 1 1 7  26 19  o 9.1790  0.7822 -2.036000      1.564000  
1 1 1 7  26 20  o 9.4040  0.7580 -0.7844000     1.516000  
1 1 1 7  26 21  o 20.810  0.4791 -0.4565000E-01 0.9582000 
1 1 1 7  26 22  f 16.180  0.5306 -0.7871000     1.061000  
1 1 1 7  26 23  o 8.6210  0.8937 2.220000       1.787000  
1 1 1 7  26 24  o 10.110  0.7353 0.2057000      1.471000  
1 1 1 7  26 25  o 15.810  0.5319 -0.8694000     1.064000  
1 1 1 7  26 26  o 11.630  0.6633 2.071000       1.327000  
1 1 1 7  26 27  o 7.4730  0.9520 -1.322000      1.904000  
1 1 1 7  26 28  o 12.860  0.6280 -0.9787000     1.256000  
1 1 1 7  26 29  o 4.6870  1.1800 0.5405000      2.360000  
1 1 1 7  26 30  o 6.6210  1.1080 0.5191000      2.215000  
1 1 1 7  26 31  o 6.5160  1.0890 -1.725000      2.179000  
1 1 1 7  26 32  o 6.7020  1.1150 0.4091000      2.230000  
1 1 1 7  26 33  o 6.9690  1.0740 -0.7061000     2.148000  
1 1 1 7  26 34  o 7.7430  1.0150 -2.293000      2.030000  
1 1 1 7  26 35  o 5.9220  1.1240 -2.183000      2.249000  
1 1 1 7  26 36  o 6.0200  1.2740 -2.554000      2.547000  
1 1 1 7  26 37  o 15.680  0.6391 1.042000       1.278000  
1 1 1 7  26 38  f 8.7190  1.0390 -1.237000      2.079000  
1 1 1 7  26 39  f 9.7430  0.9474 0.2201000      1.895000  
1 1 1 7  26 40  o 10.600  0.8749 -0.2594000     1.750000  
1 1 1 7  26 41  o 3.9410  1.2020 -1.671000      2.404000  
1 1 1 7  26 42  o 5.9210  1.3870 1.456000       2.773000  
1 1 1 7  26 43  o 4.5150  1.3100 -0.8636000     2.619000  
1 1 1 7  26 44  o 4.1150  1.2730 0.5274000E-01  2.546000  
1 1 1 7  26 45  o 3.7470  1.1990 -0.3713000     2.398000  
1 1 1 7  26 46  o 5.6130  1.3580 -2.178000      2.716000  
1 1 1 7  26 47  o 4.4030  1.3070 -0.4648000     2.614000  
1 1 1 7  26 48  o 4.3910  1.2890 -1.355000      2.577000  
1 1 1 7  26 49  o 5.4960  1.3300 -2.764000      2.659000  
1 1 1 7  26 50  o 4.0420  1.2640 1.332000       2.529000  
1 1 1 7  26 51  o 4.8540  1.4000 -0.6401000E-01 2.800000  
1 1 1 7  26 52  f 4.9000  1.3800 1.464000       2.761000  
1 1 1 7  26 53  o 4.1810  1.2890 -0.5407000     2.578000  
1 1 1 7  26 54  o 3.3760  1.1240 0.8278000      2.248000  
1 1 1 7  26 55  o 5.9530  1.3660 2.877000       2.733000  
1 1 1 7  26 56  o 3.7630  1.2140 -0.1185000     2.427000  
1 1 1 7  26 57  o 3.5560  1.7430 ?              ?         
1 1 1 7  27 0   f 5.3610  1.8990 0.000000       0.000000  
1 1 1 7  27 1   o 4.7090  1.1310 -0.5681000     2.263000  
1 1 1 7  27 2   o 9.1290  0.7302 1.419000       1.460000  
1 1 1 7  27 3   o 15.360  0.5073 0.6813000      1.015000  
1 1 1 7  27 4   o 9.8130  0.7355 2.394000       1.471000  
1 1 1 7  27 5   o 9.8700  0.6895 -0.4844000     1.379000  
1 1 1 7  27 6   o 13.930  0.5295 0.4734000E-01  1.059000  
1 1 1 7  27 7   o 12.280  0.5771 -0.3796000     1.154000  
1 1 1 7  27 8   o 8.0460  0.8969 2.007000       1.794000  
1 1 1 7  27 9   o 14.350  0.5299 -0.8063000E-01 1.060000  
1 1 1 7  27 10  o 15.190  0.5306 -0.5232000     1.061000  
1 1 1 7  27 11  o 9.3800  0.7778 -3.265000      1.556000  
1 1 1 7  27 12  o 9.7790  0.7030 0.1381000      1.406000  
1 1 1 7  27 13  o 5.0430  1.1270 1.479000       2.254000  
1 1 1 7  27 14  o 6.6080  1.0320 -1.690000      2.064000  
1 1 1 7  27 15  o 6.6100  1.0080 3.545000       2.016000  
1 1 1 7  27 16  o 6.7370  1.0060 1.660000       2.011000  
1 1 1 7  27 17  f 8.7150  0.8172 -0.4035000     1.634000  
1 1 1 7  27 18  o 7.7930  0.8979 2.057000       1.796000  
1 1 1 7  27 19  o 4.6630  1.1700 0.8384000      2.341000  
1 1 1 7  27 20  o 4.5170  1.1560 0.5224000E-01  2.311000  
1 1 1 7  27 21  o 4.9250  1.1700 -0.2955000     2.340000  
1 1 1 7  27 22  o 9.8590  0.7117 -0.6388000     1.423000  
1 1 1 7  27 23  o 7.0390  1.0490 -0.2436000     2.098000  
1 1 1 7  27 24  o 15.580  0.5320 -0.1386000     1.064000  
1 1 1 7  27 25  o 8.0370  0.9293 0.3231000      1.859000  
1 1 1 7  27 26  o 3.6550  1.0720 -1.010000      2.145000  
1 1 1 7  27 27  o 3.7610  1.1120 -1.293000      2.223000  
1 1 1 7  27 28  o 8.0130  0.9667 -1.224000      1.933000  
1 1 1 7  27 29  o 4.1370  1.1300 -1.347000      2.260000  
1 1 1 7  27 30  o 7.1040  1.0540 -0.4306000     2.108000  
1 1 1 7  27 31  o 4.2920  1.1650 -1.055000      2.330000  
1 1 1 7  27 32  o 5.2640  1.1490 -2.789000      2.298000  
1 1 1 7  27 33  o 10.330  0.7721 0.3109000E-01  1.544000  
1 1 1 7  27 34  o 4.8400  1.2220 1.240000       2.444000  
1 1 1 7  27 35  o 11.000  0.7099 -0.1545000     1.420000  
1 1 1 7  27 36  o 5.8730  1.1750 1.958000       2.351000  
1 1 1 7  27 37  o 4.3920  1.2210 -2.010000      2.442000  
1 1 1 7  27 38  o 5.5320  1.2710 -2.012000      2.542000  
1 1 1 7  27 39  o 4.0120  1.1930 0.1211000      2.386000  
1 1 1 7  27 40  o 3.8970  1.1660 0.8858000E-01  2.332000  
1 1 1 7  27 41  o 3.4690  1.1110 -0.5317000     2.222000  
1 1 1 7  27 42  o 5.2240  1.3040 -2.347000      2.608000  
1 1 1 7  27 43  o 4.8170  1.3390 0.5364000      2.678000  
1 1 1 7  27 44  o 4.1680  1.2660 0.4100000      2.531000  
1 1 1 7  27 45  o 4.1780  1.2860 -0.4370000     2.573000  
1 1 1 7  27 46  o 4.2930  1.2690 -1.649000      2.539000  
1 1 1 7  27 47  o 3.9560  1.2390 -0.9232000     2.477000  
1 1 1 7  27 48  o 4.5370  1.3130 1.735000       2.627000  
1 1 1 7  27 49  o 5.3340  1.4210 -0.4184000     2.842000  
1 1 1 7  27 50  f 5.6070  1.3850 1.919000       2.769000  
1 1 1 7  27 51  o 4.9790  1.3960 0.2248000E-01  2.791000  
1 1 1 7  27 52  o 3.3340  1.5950 ?              ?         
1 1 1 7  27 53  f 3.5110  1.7820 ?              ?         
1 1 1 7  28 0   o 14.170  0.7597 0.000000       0.000000  
1 1 1 7  28 1   o 14.960  0.5202 -0.2395000     1.040000  
1 1 1 7  28 2   o 13.020  0.5785 0.6940000      1.157000  
1 1 1 7  28 3   o 12.100  0.6002 0.5946000      1.200000  
1 1 1 7  28 4   o 11.680  0.6197 -0.5189000     1.239000  
1 1 1 7  28 5   o 16.090  0.4958 -0.4974000     0.9917000 
1 1 1 7  28 6   o 15.650  0.5071 -0.9444000     1.014000  
1 1 1 7  28 7   o 9.9270  0.7409 -1.096000      1.482000  
1 1 1 7  28 8   o 7.1420  0.9799 -0.5807000     1.960000  
1 1 1 7  28 9   o 13.460  0.5737 2.129000       1.147000  
1 1 1 7  28 10  o 14.420  0.5387 0.7604000      1.077000  
1 1 1 7  28 11  o 9.1060  0.8275 -2.110000      1.655000  
1 1 1 7  28 12  o 9.8170  0.7632 -0.6405000E-01 1.526000  
1 1 1 7  28 13  o 6.9820  0.9937 0.1512000      1.987000  
1 1 1 7  28 14  o 6.0250  1.1270 1.213000       2.255000  
1 1 1 7  28 15  o 6.7060  1.0330 -1.907000      2.066000  
1 1 1 7  28 16  o 13.370  0.5966 -0.4538000     1.193000  
1 1 1 7  28 17  f 16.640  0.5248 -0.8970000     1.050000  
1 1 1 7  28 18  o 14.450  0.5656 1.488000       1.131000  
1 1 1 7  28 19  o 13.160  0.6110 0.7701000      1.222000  
1 1 1 7  28 20  o 8.7150  0.8451 0.5035000      1.690000  
1 1 1 7  28 21  o 5.3540  1.1850 -0.6647000     2.369000  
1 1 1 7  28 22  o 6.9680  1.0340 -1.662000      2.068000  
1 1 1 7  28 23  o 6.5210  1.1050 0.7015000      2.210000  
1 1 1 7  28 24  o 10.860  0.6810 -0.8733000     1.362000  
1 1 1 7  28 25  o 6.9260  1.0400 -1.172000      2.080000  
1 1 1 7  28 26  f 12.220  0.6617 -2.179000      1.323000  
1 1 1 7  28 27  o 12.690  0.6397 -0.5992000     1.279000  
1 1 1 7  28 28  o 5.2260  1.2040 -0.4099000     2.409000  
1 1 1 7  28 29  o 10.160  0.7678 -2.468000      1.536000  
1 1 1 7  28 30  o 5.5100  1.1520 2.104000       2.304000  
1 1 1 7  28 31  f 7.0150  1.1140 -0.6972000     2.228000  
1 1 1 7  28 32  o 4.0960  1.1610 -0.8343000     2.322000  
1 1 1 7  28 33  o 7.3480  1.0690 -0.9481000     2.139000  
1 1 1 7  28 34  o 6.2800  1.1000 3.207000       2.200000  
1 1 1 7  28 35  o 9.8610  0.8152 0.2037000E-01  1.630000  
1 1 1 7  28 36  o 5.3850  1.2100 -1.576000      2.421000  
1 1 1 7  28 37  f 5.1670  1.1970 -1.664000      2.395000  
1 1 1 7  28 38  o 4.8250  1.2890 -1.248000      2.577000  
1 1 1 7  28 39  o 3.8140  1.1710 0.1858000      2.342000  
1 1 1 7  28 40  o 8.2970  1.0820 0.2611000      2.165000  
1 1 1 7  28 41  o 4.4090  1.2420 0.6758000      2.485000  
1 1 1 7  28 42  f 4.2770  1.2100 -2.342000      2.419000  
1 1 1 7  28 43  o 4.4820  1.2930 -1.427000      2.586000  
1 1 1 7  28 44  o 3.3790  1.1240 0.1002000      2.248000  
1 1 1 7  28 45  o 5.1010  1.3620 1.300000       2.725000  
1 1 1 7  28 46  o 4.0300  1.2800 -0.1516000     2.559000  
1 1 1 7  28 47  o 4.0290  1.9840 ?              ?         
1 1 1 7  28 48  o 3.7500  1.8730 ?              ?         
1 1 1 7  29 0   o 7.5440  1.5740 0.000000       0.000000  
1 1 1 7  29 1   o 6.0510  1.1510 -0.1441000E-01 2.302000  
1 1 1 7  29 2   o 6.1970  1.1100 0.7118000      2.220000  
1 1 1 7  29 3   o 10.840  0.6806 1.702000       1.361000  
1 1 1 7  29 4   o 9.4020  0.7898 -1.694000      1.580000  
1 1 1 7  29 5   o 8.8150  0.8562 -0.2077000     1.712000  
1 1 1 7  29 6   o 8.2500  0.9081 -0.9704000     1.816000  
1 1 1 7  29 7   o 6.2880  1.1330 -0.9243000     2.266000  
1 1 1 7  29 8   o 8.7290  0.8694 0.3574000      1.739000  
1 1 1 7  29 9   o 16.080  0.5253 -0.6432000     1.051000  
1 1 1 7  29 10  f 11.910  0.6531 -0.4572000     1.306000  
1 1 1 7  29 11  o 10.070  0.7740 -0.4481000     1.548000  
1 1 1 7  29 12  o 8.3350  0.9195 -0.3312000     1.839000  
1 1 1 7  29 13  o 4.8650  1.1280 2.792000       2.255000  
1 1 1 7  29 14  o 6.5530  1.0790 1.725000       2.158000  
1 1 1 7  29 15  o 10.630  0.7088 0.3007000      1.418000  
1 1 1 7  29 16  o 9.5610  0.8061 -1.764000      1.612000  
1 1 1 7  29 17  f 6.7580  1.0650 -0.1033000     2.130000  
1 1 1 7  29 18  o 6.8620  1.0750 -0.6923000     2.151000  
1 1 1 7  29 19  o 5.4210  1.1710 0.7781000      2.341000  
1 1 1 7  29 20  o 4.1530  1.1200 -1.118000      2.240000  
1 1 1 7  29 21  o 5.6410  1.1710 -0.5311000     2.342000  
1 1 1 7  29 22  o 6.3030  1.0990 1.539000       2.198000  
1 1 1 7  29 23  o 5.6450  1.1590 1.376000       2.318000  
1 1 1 7  29 24  o 4.2430  1.1680 0.8231000      2.336000  
1 1 1 7  29 25  o 5.9890  1.0820 -2.914000      2.163000  
1 1 1 7  29 26  o 6.0570  1.1590 -1.595000      2.319000  
1 1 1 7  29 27  o 6.2710  1.1440 2.130000       2.288000  
1 1 1 7  29 28  o 10.260  0.7890 0.4241000      1.578000  
1 1 1 7  29 29  o 5.5550  1.2550 0.6189000      2.511000  
1 1 1 7  29 30  o 7.8450  1.0160 -1.043000      2.031000  
1 1 1 7  29 31  o 8.6940  0.9161 -1.746000      1.832000  
1 1 1 7  29 32  o 6.3130  1.1770 -0.2978000     2.354000  
1 1 1 7  29 33  o 4.8320  1.1680 -2.015000      2.336000  
1 1 1 7  29 34  o 4.0610  1.1520 1.132000       2.304000  
1 1 1 7  29 35  o 4.9190  1.2460 -0.3313000     2.491000  
1 1 1 7  29 36  o 3.2510  1.0490 -0.3950000     2.098000  
1 1 1 7  29 37  o 3.0980  1.0180 -0.7776000     2.036000  
1 1 1 7  29 38  o 5.6930  1.2390 1.663000       2.478000  
1 1 1 7  29 39  o 5.2050  1.2590 1.723000       2.518000  
1 1 1 7  29 40  f 4.6700  1.4240 0.9369000      2.849000  
1 1 1 7  29 41  o 3.7710  1.3340 0.6144000      2.668000  
1 1 1 7  30 0   o 6.4220  1.7970 0.000000       0.000000  
1 1 1 7  30 1   o 7.1490  1.0150 -0.5985000E-01 2.031000  
1 1 1 7  30 2   o 8.7440  0.8610 0.5420000      1.722000  
1 1 1 7  30 3   o 7.8610  0.9494 -0.6673000     1.899000  
1 1 1 7  30 4   o 6.6100  1.0830 -1.303000      2.166000  
1 1 1 7  30 5   o 5.1520  1.1720 -1.504000      2.345000  
1 1 1 7  30 6   o 8.2880  0.8989 0.4367000E-01  1.798000  
1 1 1 7  30 7   o 7.4870  0.9743 1.498000       1.949000  
1 1 1 7  30 8   o 4.7300  1.1690 -0.5230000     2.338000  
1 1 1 7  30 9   o 3.9190  1.1310 0.5432000      2.262000  
1 1 1 7  30 10  o 5.3470  1.1720 1.372000       2.344000  
1 1 1 7  30 11  o 4.3030  1.1530 1.306000       2.307000  
1 1 1 7  30 12  o 3.7790  1.0990 -1.258000      2.198000  
1 1 1 7  30 13  o 3.4290  1.0430 -1.034000      2.086000  
1 1 1 7  30 14  o 3.4070  1.0370 -1.387000      2.073000  
1 1 1 7  30 15  o 4.1310  1.1490 -0.2438000     2.298000  
1 1 1 7  30 16  f 4.9120  1.1530 1.247000       2.306000  
1 1 1 7  30 17  o 5.4890  1.1650 -0.2168000     2.330000  
1 1 1 7  30 18  o 4.3130  1.1770 -0.6196000     2.354000  
1 1 1 7  30 19  o 5.8590  1.1870 0.1833000E-01  2.374000  
1 1 1 7  30 20  o 5.3850  1.1870 0.3223000      2.375000  
1 1 1 7  30 21  f 10.280  0.7575 0.8322000      1.515000  
1 1 1 7  30 22  o 6.0510  1.1580 -0.8302000     2.315000  
1 1 1 7  30 23  o 5.1210  1.2000 0.4565000      2.400000  
1 1 1 7  30 24  o 4.0740  1.1650 0.3810000      2.331000  
1 1 1 7  30 25  o 4.4980  1.1710 1.430000       2.342000  
1 1 1 7  30 26  o 4.1820  1.1800 -0.8068000E-01 2.360000  
1 1 1 7  30 27  o 3.8220  1.1450 -0.6027000     2.290000  
1 1 1 7  30 28  o 3.8330  1.1330 0.4036000      2.266000  
1 1 1 7  30 29  o 3.1390  1.0180 -0.2825000     2.036000  
1 1 1 7  30 30  o 6.1130  1.2000 0.9477000      2.400000  
1 1 1 7  30 31  o 3.7170  1.0870 1.755000       2.174000  
1 1 1 7  30 32  o 4.3320  1.3710 0.5339000      2.742000  
1 1 1 7  30 33  o 4.5130  1.4570 0.4210000      2.913000  
1 1 1 7  30 34  o 4.0220  2.0030 ?              ?         
1 1 1 7  31 0   o 4.6260  2.0640 0.000000       0.000000  
1 1 1 7  31 1   o 6.5450  1.1270 1.374000       2.254000  
1 1 1 7  31 2   f 5.2800  1.1950 1.039000       2.389000  
1 1 1 7  31 3   o 3.8500  1.1300 0.3550000      2.259000  
1 1 1 7  31 4   o 6.0270  1.1300 -1.054000      2.259000  
1 1 1 7  31 5   o 8.8530  0.8517 0.5155000      1.703000  
1 1 1 7  31 6   o 5.6430  1.1840 -0.9634000     2.368000  
1 1 1 7  31 7   f 5.2750  1.2100 0.6194000      2.420000  
1 1 1 7  31 8   o 4.3240  1.1680 -1.014000      2.336000  
1 1 1 7  31 9   o 3.9660  1.1450 -0.7598000E-01 2.289000  
1 1 1 7  31 10  o 6.9480  1.1240 0.8702000      2.247000  
1 1 1 7  31 11  o 6.4840  1.1130 3.337000       2.226000  
1 1 1 7  31 12  f 4.2850  1.1700 1.179000       2.340000  
1 1 1 7  31 13  o 4.1900  1.1670 -0.2478000     2.334000  
1 1 1 7  31 14  o 5.4300  1.1420 3.120000       2.285000  
1 1 1 7  31 15  o 9.8990  0.7848 0.1669000      1.570000  
1 1 1 7  31 16  o 8.7490  0.8812 -1.091000      1.762000  
1 1 1 7  31 17  f 3.6680  1.1130 0.3812000      2.225000  
1 1 1 7  31 18  o 4.0070  1.1520 0.1845000E-01  2.303000  
1 1 1 7  31 19  o 3.9940  1.1550 0.3739000      2.311000  
1 1 1 7  31 20  f 3.4740  1.0950 0.4661000      2.191000  
1 1 1 7  31 21  o 4.6170  1.3680 0.3654000      2.735000  
1 1 1 7  31 22  o 4.8910  2.2720 ?              ?         
1 1 1 7  31 23  o 6.5270  2.7170 ?              ?         
1 1 1 7  31 24  o 3.0170  1.5400 ?              ?         
1 1 1 8  0  2   f 98.810  3.9030 -0.000000      0.000000  
1 1 1 8  0  3   o 27.630  1.0930 0.000000       0.000000  
1 1 1 8  0  4   o 37.790  1.4860 0.000000       0.000000  
1 1 1 8  0  5   o 26.300  1.0410 -0.000000      0.000000  
1 1 1 8  0  6   o 68.820  2.7130 0.000000       0.000000  
1 1 1 8  0  15  o 17.510  0.5350 0.000000       0.000000  
1 1 1 8  0  16  o 95.730  2.6690 0.000000       0.000000  
1 1 1 8  0  17  o 57.750  1.6130 0.000000       0.000000  
1 1 1 8  0  18  o 85.180  2.3680 0.000000       0.000000  
1 1 1 8  0  19  f 41.080  1.6290 0.000000       0.000000  
1 1 1 8  0  20  o 20.180  0.8838 0.000000       0.000000  
1 1 1 8  0  21  o 30.370  1.2300 0.000000       0.000000  
1 1 1 8  0  22  o 44.360  1.7620 0.000000       0.000000  
1 1 1 8  0  23  o 21.510  0.9388 -0.000000      0.000000  
1 1 1 8  0  24  f 13.340  0.8116 0.000000       0.000000  
1 1 1 8  0  25  o 46.820  1.8630 0.000000       0.000000  
1 1 1 8  0  26  o 4.5810  1.9090 0.000000       0.000000  
1 1 1 8  0  27  o 8.1250  1.2890 0.000000       0.000000  
1 1 1 8  0  28  f 8.5840  1.2410 -0.000000      0.000000  
1 1 1 8  0  29  o 6.8360  1.6380 0.000000       0.000000  
1 1 1 8  0  30  o 26.360  1.1490 0.000000       0.000000  
1 1 1 8  0  31  o 49.030  1.9630 0.000000       0.000000  
1 1 1 8  0  32  o 11.920  1.1010 -0.000000      0.000000  
1 1 1 8  0  33  f 23.650  1.1220 0.000000       0.000000  
1 1 1 8  0  34  o 35.790  1.4900 -0.000000      0.000000  
1 1 1 8  0  35  o 15.020  1.1320 -0.000000      0.000000  
1 1 1 8  0  36  o 6.4190  2.4070 -0.000000      0.000000  
1 1 1 8  0  37  o 4.6290  2.4260 0.000000       0.000000  
1 1 1 8  0  38  o 59.540  2.3860 0.000000       0.000000  
1 1 1 8  0  39  o 24.630  1.2100 0.000000       0.000000  
1 1 1 8  0  40  o 31.840  1.4150 0.000000       0.000000  
1 1 1 8  0  41  o 2.7320  1.8650 -0.000000      0.000000  
1 1 1 8  0  42  f 39.190  1.6600 -0.000000      0.000000  
1 1 1 8  0  43  o 60.290  2.4220 0.000000       0.000000  
1 1 1 8  0  44  o 7.4180  2.8250 0.000000       0.000000  
1 1 1 8  0  45  o 4.4600  2.5630 0.000000       0.000000  
1 1 1 8  0  46  o 6.6990  2.9380 -0.000000      0.000000  
1 1 1 8  0  47  o 13.670  1.5880 -0.000000      0.000000  
1 1 1 8  0  48  o 7.9830  2.8660 0.000000       0.000000  
1 1 1 8  0  49  o 4.2300  2.6030 0.000000       0.000000  
1 1 1 8  0  50  o 26.650  1.4090 0.000000       0.000000  
1 1 1 8  0  51  o 21.360  1.4760 0.000000       0.000000  
1 1 1 8  0  52  o 34.200  1.6150 0.000000       0.000000  
1 1 1 8  0  53  f 19.420  1.6640 0.000000       0.000000  
1 1 1 8  0  54  o 27.900  1.6100 0.000000       0.000000  
1 1 1 8  0  55  o 71.360  2.9050 0.000000       0.000000  
1 1 1 8  0  56  o 11.170  2.9360 0.000000       0.000000  
1 1 1 8  0  57  o 28.070  1.6230 0.000000       0.000000  
1 1 1 8  0  58  o 28.910  1.6760 0.000000       0.000000  
1 1 1 8  0  59  o 8.3320  3.6790 -0.000000      0.000000  
1 1 1 8  0  60  o 15.460  2.4220 0.000000       0.000000  
1 1 1 8  0  61  o 27.060  1.7540 0.000000       0.000000  
1 1 1 8  0  62  o 5.2730  3.3080 0.000000       0.000000  
1 1 1 8  0  63  o 21.120  2.1440 0.000000       0.000000  
1 1 1 8  0  64  o 5.3370  3.3790 -0.000000      0.000000  
1 1 1 8  0  65  o 26.920  1.8250 -0.000000      0.000000  
1 1 1 8  0  66  o 6.0930  3.6110 0.000000       0.000000  
1 1 1 8  0  67  o 13.120  3.7000 0.000000       0.000000  
1 1 1 8  0  68  o 12.940  3.8790 0.000000       0.000000  
1 1 1 8  0  69  o 29.860  2.0560 0.000000       0.000000  
1 1 1 8  0  70  o 7.2290  4.0090 -0.000000      0.000000  
1 1 1 8  0  71  o 23.070  2.3230 -0.000000      0.000000  
1 1 1 8  0  72  o 4.8930  3.2700 -0.000000      0.000000  
1 1 1 8  0  73  o 4.5570  3.1130 0.000000       0.000000  
1 1 1 8  0  74  o 3.6230  2.6040 0.000000       0.000000  
1 1 1 8  0  75  o 5.3320  3.5780 0.000000       0.000000  
1 1 1 8  0  76  o 5.1420  3.4760 0.000000       0.000000  
1 1 1 8  0  77  o 16.950  3.9410 -0.000000      0.000000  
1 1 1 8  0  78  o 6.6620  4.1570 0.000000       0.000000  
1 1 1 8  0  79  o 5.3500  3.6130 0.000000       0.000000  
1 1 1 8  0  80  o 5.0750  3.4740 0.000000       0.000000  
1 1 1 8  0  81  o 5.6110  3.7100 -0.000000      0.000000  
1 1 1 8  0  82  f 4.8830  3.3600 0.000000       0.000000  
1 1 1 8  0  83  o 4.0990  2.9190 0.000000       0.000000  
1 1 1 8  0  84  o 6.3720  4.0030 0.000000       0.000000  
1 1 1 8  0  85  o 7.7460  4.4700 0.000000       0.000000  
1 1 1 8  0  86  o 4.4320  3.1300 -0.000000      0.000000  
1 1 1 8  0  87  o 4.2000  2.9510 -0.000000      0.000000  
1 1 1 8  0  88  o 4.4300  3.1170 0.000000       0.000000  
1 1 1 8  0  89  o 6.9320  4.2080 -0.000000      0.000000  
1 1 1 8  0  90  f 4.6530  3.2300 0.000000       0.000000  
1 1 1 8  0  91  o 3.4070  2.4880 -0.000000      0.000000  
1 1 1 8  0  92  o 4.6600  3.2170 -0.000000      0.000000  
1 1 1 8  0  93  o 4.6350  3.1680 -0.000000      0.000000  
1 1 1 8  0  94  o 3.7850  2.6870 0.000000       0.000000  
1 1 1 8  0  95  o 3.0860  2.2360 0.000000       0.000000  
1 1 1 8  0  96  o 4.0650  2.6620 0.000000       0.000000  
1 1 1 8  1  0   o 27.400  1.0910 -0.000000      0.000000  
1 1 1 8  1  1   o 32.690  0.9110 0.1667000      1.822000  
1 1 1 8  1  2   o 67.270  2.6440 ?              ?         
1 1 1 8  1  3   o 39.700  1.5560 ?              ?         
1 1 1 8  1  4   f 15.260  0.4462 -0.1852000E-01 0.8925000 
1 1 1 8  1  5   o 97.000  3.8720 ?              ?         
1 1 1 8  1  6   o 29.180  1.1470 ?              ?         
1 1 1 8  1  7   o 36.510  1.0870 -27.65000      2.173000  
1 1 1 8  1  8   o 21.150  0.6416 -15.72000      1.283000  
1 1 1 8  1  9   o 15.670  0.4737 -5.647000      0.9474000 
1 1 1 8  1  10  o 13.390  0.5847 ?              ?         
1 1 1 8  1  11  o 14.200  0.6155 ?              ?         
1 1 1 8  1  12  o 43.060  1.6890 ?              ?         
1 1 1 8  1  13  o 28.830  1.1420 ?              ?         
1 1 1 8  1  14  o 72.980  2.9020 ?              ?         
1 1 1 8  1  15  o 25.090  1.0100 ?              ?         
1 1 1 8  1  16  o 45.060  1.7730 ?              ?         
1 1 1 8  1  17  o 31.500  0.7680 0.4374000E-02  1.536000  
1 1 1 8  1  18  o 33.000  0.8039 -0.4350000     1.608000  
1 1 1 8  1  19  f 44.690  1.0800 -0.1402000     2.161000  
1 1 1 8  1  20  o 36.200  0.8863 1.028000       1.773000  
1 1 1 8  1  21  o 42.220  1.0300 0.8767000      2.059000  
1 1 1 8  1  22  o 15.730  0.5751 ?              ?         
1 1 1 8  1  23  o 21.140  0.5724 -0.9180000     1.145000  
1 1 1 8  1  24  o 20.320  0.5659 -0.1333000     1.132000  
1 1 1 8  1  25  o 48.290  1.1810 0.5455000      2.361000  
1 1 1 8  1  26  o 36.990  0.9093 -0.6889000     1.819000  
1 1 1 8  1  27  o 23.900  0.7411 -0.4980000     1.482000  
1 1 1 8  1  28  o 23.370  0.7382 -0.9962000     1.476000  
1 1 1 8  1  29  o 23.420  0.7461 -0.5406000     1.492000  
1 1 1 8  1  30  o 13.030  0.7038 -0.2340000     1.408000  
1 1 1 8  1  31  o 15.350  0.6888 0.6596000      1.378000  
1 1 1 8  1  32  o 17.060  0.6997 -0.3915000     1.399000  
1 1 1 8  1  33  o 26.010  0.8360 0.4659000      1.672000  
1 1 1 8  1  34  o 30.120  0.9168 -0.4817000     1.834000  
1 1 1 8  1  35  o 7.7090  1.2590 -0.9506000     2.519000  
1 1 1 8  1  36  o 26.100  0.8594 0.8822000      1.719000  
1 1 1 8  1  37  o 30.440  0.9442 -0.6464000     1.888000  
1 1 1 8  1  38  o 33.720  1.0200 0.4493000      2.040000  
1 1 1 8  1  39  o 26.050  1.2390 ?              ?         
1 1 1 8  1  40  o 28.790  1.3200 ?              ?         
1 1 1 8  1  41  o 21.870  1.2350 ?              ?         
1 1 1 8  1  42  o 20.660  1.2380 ?              ?         
1 1 1 8  1  43  o 19.500  1.2720 ?              ?         
1 1 1 8  1  44  o 10.540  1.8810 ?              ?         
1 1 1 8  1  45  o 25.890  1.3200 ?              ?         
1 1 1 8  1  46  o 34.470  1.5150 ?              ?         
1 1 1 8  1  47  o 23.460  1.3560 ?              ?         
1 1 1 8  1  48  o 58.510  2.3800 ?              ?         
1 1 1 8  1  49  o 19.730  1.4960 ?              ?         
1 1 1 8  1  50  f 22.330  1.4190 ?              ?         
1 1 1 8  1  51  o 11.850  2.1490 ?              ?         
1 1 1 8  1  52  o 16.610  1.6690 ?              ?         
1 1 1 8  1  53  o 24.690  1.4710 ?              ?         
1 1 1 8  1  54  o 24.030  1.5160 ?              ?         
1 1 1 8  1  55  o 24.480  1.5340 ?              ?         
1 1 1 8  1  56  o 19.200  1.6840 ?              ?         
1 1 1 8  1  57  o 14.130  2.2230 ?              ?         
1 1 1 8  1  58  o 8.6200  2.8980 ?              ?         
1 1 1 8  1  59  f 13.570  2.6050 ?              ?         
1 1 1 8  1  60  o 9.2480  2.9170 ?              ?         
1 1 1 8  1  61  o 18.490  2.0640 ?              ?         
1 1 1 8  1  62  o 24.920  1.8330 ?              ?         
1 1 1 8  1  63  o 25.630  1.8690 ?              ?         
1 1 1 8  1  64  o 20.860  2.1150 ?              ?         
1 1 1 8  1  65  o 16.790  2.4480 ?              ?         
1 1 1 8  1  66  o 8.9270  3.3550 ?              ?         
1 1 1 8  1  67  o 13.590  3.3290 ?              ?         
1 1 1 8  1  68  o 24.820  2.2070 ?              ?         
1 1 1 8  1  69  o 11.060  3.6160 ?              ?         
1 1 1 8  1  70  o 7.3220  3.2150 ?              ?         
1 1 1 8  1  71  o 8.8440  3.5180 ?              ?         
1 1 1 8  1  72  f 12.620  3.6690 ?              ?         
1 1 1 8  1  73  o 9.1930  3.6310 ?              ?         
1 1 1 8  1  74  o 8.3700  3.5190 ?              ?         
1 1 1 8  1  75  o 13.010  3.8430 ?              ?         
1 1 1 8  1  76  o 10.610  3.8600 ?              ?         
1 1 1 8  1  77  o 7.6090  3.4070 ?              ?         
1 1 1 8  1  78  o 11.120  3.9980 ?              ?         
1 1 1 8  1  79  o 6.7890  3.1950 ?              ?         
1 1 1 8  1  80  o 7.5380  3.4280 ?              ?         
1 1 1 8  1  81  o 9.4660  3.8550 ?              ?         
1 1 1 8  1  82  o 10.120  3.9400 ?              ?         
1 1 1 8  1  83  o 7.2970  2.3440 -0.2043000     4.689000  
1 1 1 8  1  84  o 6.9790  2.3060 0.6679000      4.611000  
1 1 1 8  1  85  o 5.6620  1.9740 -1.257000      3.949000  
1 1 1 8  1  86  f 6.0360  2.0750 -0.4251000     4.149000  
1 1 1 8  1  87  o 6.5510  2.1900 -0.3145000     4.381000  
1 1 1 8  1  88  o 4.8710  1.7290 1.707000       3.459000  
1 1 1 8  1  89  o 6.9890  2.2570 0.6649000      4.515000  
1 1 1 8  1  90  o 6.4330  2.1290 1.105000       4.258000  
1 1 1 8  1  91  o 5.6640  1.9560 1.502000       3.912000  
1 1 1 8  1  92  o 6.4160  2.1450 1.277000       4.290000  
1 1 1 8  1  93  o 4.9030  1.7250 -0.6307000     3.450000  
1 1 1 8  1  94  o 5.2330  1.7960 -0.4427000     3.592000  
1 1 1 8  1  95  o 4.7020  1.6340 -0.3343000     3.267000  
1 1 1 8  1  96  o 3.9910  1.3870 0.5915000      2.774000  
1 1 1 8  2  0   o 46.610  1.2930 -0.000000      0.000000  
1 1 1 8  2  1   o 42.980  0.8424 -0.4660000     1.685000  
1 1 1 8  2  2   o 53.820  0.9609 -0.2748000     1.922000  
1 1 1 8  2  3   o 44.770  0.7992 0.9845000      1.598000  
1 1 1 8  2  4   o 37.940  1.0540 0.7559000      2.109000  
1 1 1 8  2  5   o 7.8450  0.3072 -3.291000      0.6144000 
1 1 1 8  2  6   o 23.670  0.6678 0.6804000      1.336000  
1 1 1 8  2  7   o 17.830  0.5190 0.1120000      1.038000  
1 1 1 8  2  8   o 21.230  0.6049 -0.1149000E-01 1.210000  
1 1 1 8  2  9   o 21.800  0.6206 0.7560000      1.241000  
1 1 1 8  2  10  o 67.360  1.8810 0.7611000      3.762000  
1 1 1 8  2  11  o 15.090  0.6115 28.04000       1.223000  
1 1 1 8  2  12  f 28.810  1.1380 ?              ?         
1 1 1 8  2  13  o 13.580  0.6133 ?              ?         
1 1 1 8  2  14  o 15.250  0.6711 ?              ?         
1 1 1 8  2  15  o 16.130  0.7069 ?              ?         
1 1 1 8  2  16  o 30.950  1.2280 ?              ?         
1 1 1 8  2  17  o 20.240  0.8493 ?              ?         
1 1 1 8  2  18  o 73.220  2.0630 -0.6595000     4.127000  
1 1 1 8  2  19  f 26.990  0.7837 0.4184000      1.567000  
1 1 1 8  2  20  f 11.020  0.5605 -1.099000      1.121000  
1 1 1 8  2  21  o 31.140  0.8953 -0.4162000     1.791000  
1 1 1 8  2  22  o 17.650  0.6142 -0.5842000     1.228000  
1 1 1 8  2  23  o 43.530  1.2310 1.193000       2.461000  
1 1 1 8  2  24  f 54.630  1.5440 -0.1711000     3.089000  
1 1 1 8  2  25  o 22.650  0.7151 -0.4591000     1.430000  
1 1 1 8  2  26  o 10.580  1.0740 ?              ?         
1 1 1 8  2  27  o 6.3570  1.0790 2.077000       2.158000  
1 1 1 8  2  28  o 13.300  0.6955 -1.343000      1.391000  
1 1 1 8  2  29  o 61.120  1.7410 -0.2575000     3.481000  
1 1 1 8  2  30  o 36.820  1.0710 -0.9537000     2.142000  
1 1 1 8  2  31  o 37.430  1.0890 -0.5167000     2.178000  
1 1 1 8  2  32  o 22.620  0.7940 1.574000       1.588000  
1 1 1 8  2  33  o 14.560  0.8028 0.3226000      1.606000  
1 1 1 8  2  34  f 17.980  0.7634 -0.6043000     1.527000  
1 1 1 8  2  35  f 12.600  1.2770 ?              ?         
1 1 1 8  2  36  o 33.930  1.4360 ?              ?         
1 1 1 8  2  37  f 48.880  1.9780 ?              ?         
1 1 1 8  2  38  o 21.070  1.2080 ?              ?         
1 1 1 8  2  39  o 53.280  2.1500 ?              ?         
1 1 1 8  2  40  o 22.690  1.2240 ?              ?         
1 1 1 8  2  41  o 21.750  1.2350 ?              ?         
1 1 1 8  2  42  o 36.780  1.5780 ?              ?         
1 1 1 8  2  43  o 49.820  2.0350 ?              ?         
1 1 1 8  2  44  o 43.050  1.7930 ?              ?         
1 1 1 8  2  45  o 23.690  1.2610 ?              ?         
1 1 1 8  2  46  o 66.810  2.6970 ?              ?         
1 1 1 8  2  47  o 8.0660  2.4260 ?              ?         
1 1 1 8  2  48  o 15.880  1.5210 ?              ?         
1 1 1 8  2  49  o 13.130  1.9420 ?              ?         
1 1 1 8  2  50  o 25.140  1.4290 ?              ?         
1 1 1 8  2  51  o 18.350  1.4350 ?              ?         
1 1 1 8  2  52  o 19.150  1.5550 ?              ?         
1 1 1 8  2  53  o 16.790  1.6150 ?              ?         
1 1 1 8  2  54  o 10.600  2.5410 ?              ?         
1 1 1 8  2  55  o 16.080  1.7890 ?              ?         
1 1 1 8  2  56  o 7.0800  2.7500 ?              ?         
1 1 1 8  2  57  o 5.0660  2.3510 ?              ?         
1 1 1 8  2  58  o 17.220  1.8820 ?              ?         
1 1 1 8  2  59  o 7.5480  2.9440 ?              ?         
1 1 1 8  2  60  o 8.6100  3.0040 ?              ?         
1 1 1 8  2  61  f 32.390  1.7120 ?              ?         
1 1 1 8  2  62  o 21.270  1.9880 ?              ?         
1 1 1 8  2  63  f 16.880  2.4640 ?              ?         
1 1 1 8  2  64  o 18.090  2.1450 ?              ?         
1 1 1 8  2  65  o 10.270  3.3060 ?              ?         
1 1 1 8  2  66  o 16.390  2.9780 ?              ?         
1 1 1 8  2  67  o 13.370  3.4680 ?              ?         
1 1 1 8  2  68  f 19.520  2.6110 ?              ?         
1 1 1 8  2  69  o 7.8090  3.1790 ?              ?         
1 1 1 8  2  70  o 9.0900  3.3890 ?              ?         
1 1 1 8  2  71  o 11.370  3.4300 ?              ?         
1 1 1 8  2  72  o 11.640  3.6250 ?              ?         
1 1 1 8  2  73  o 13.060  3.6990 ?              ?         
1 1 1 8  2  74  o 7.4260  3.3170 ?              ?         
1 1 1 8  2  75  o 6.3950  3.0230 ?              ?         
1 1 1 8  2  76  o 7.3100  3.2730 ?              ?         
1 1 1 8  2  77  o 6.4460  2.9980 ?              ?         
1 1 1 8  2  78  o 7.6550  3.3570 ?              ?         
1 1 1 8  2  79  o 8.9880  3.6220 ?              ?         
1 1 1 8  2  80  o 8.3480  3.6180 ?              ?         
1 1 1 8  2  81  o 7.3360  3.3920 ?              ?         
1 1 1 8  2  82  o 10.350  4.0140 ?              ?         
1 1 1 8  2  83  o 9.0600  3.7980 ?              ?         
1 1 1 8  2  84  o 5.9410  2.8950 ?              ?         
1 1 1 8  2  85  o 5.4560  2.7080 ?              ?         
1 1 1 8  2  86  o 6.2360  3.0040 ?              ?         
1 1 1 8  2  87  o 6.7320  3.1220 ?              ?         
1 1 1 8  2  88  o 7.3140  3.2530 ?              ?         
1 1 1 8  2  89  o 6.5080  3.0460 ?              ?         
1 1 1 8  2  90  o 5.0930  2.5450 ?              ?         
1 1 1 8  2  91  o 5.2460  2.6180 ?              ?         
1 1 1 8  2  92  o 5.9400  2.8940 ?              ?         
1 1 1 8  2  93  o 5.3890  2.6450 ?              ?         
1 1 1 8  2  94  o 5.0830  2.5110 ?              ?         
1 1 1 8  2  95  o 4.5950  2.2910 ?              ?         
1 1 1 8  2  96  o 3.9880  1.9560 ?              ?         
1 1 1 8  2  97  o 4.6810  2.1690 ?              ?         
1 1 1 8  3  0   o 3.7540  0.7205 -0.000000      0.000000  
1 1 1 8  3  1   o 49.960  0.8899 1.699000       1.780000  
1 1 1 8  3  2   o 26.660  0.4860 0.5883000      0.9721000 
1 1 1 8  3  3   o 46.070  0.8208 1.584000       1.642000  
1 1 1 8  3  4   o 35.110  0.6332 -0.5002000     1.266000  
1 1 1 8  3  5   o 5.2380  0.3451 2.935000       0.6903000 
1 1 1 8  3  6   o 30.420  0.5503 1.764000       1.101000  
1 1 1 8  3  7   o 55.230  1.0860 1.054000       2.172000  
1 1 1 8  3  8   o 30.140  1.1920 ?              ?         
1 1 1 8  3  9   o 33.760  0.8169 -0.1802000     1.634000  
1 1 1 8  3  10  o 47.510  1.1390 -1.167000      2.277000  
1 1 1 8  3  11  o 18.160  0.4883 1.739000       0.9767000 
1 1 1 8  3  12  o 24.530  0.6071 -1.105000      1.214000  
1 1 1 8  3  13  o 36.040  0.8045 -2.928000      1.609000  
1 1 1 8  3  14  f 63.660  1.4400 -1.643000      2.881000  
1 1 1 8  3  15  o 42.370  1.0360 2.204000       2.072000  
1 1 1 8  3  16  o 20.770  0.5601 2.970000       1.120000  
1 1 1 8  3  17  o 28.000  0.6966 -0.5580000     1.393000  
1 1 1 8  3  18  o 50.350  1.4110 -1.669000      2.822000  
1 1 1 8  3  19  o 64.870  2.5810 ?              ?         
1 1 1 8  3  20  o 66.680  1.8810 -0.7594000     3.762000  
1 1 1 8  3  21  o 21.290  0.6748 0.5765000      1.350000  
1 1 1 8  3  22  o 42.040  1.1890 0.3075000      2.378000  
1 1 1 8  3  23  o 38.680  1.1010 0.6239000      2.203000  
1 1 1 8  3  24  o 45.670  1.2920 -0.9220000     2.585000  
1 1 1 8  3  25  o 10.260  0.7640 -2.680000      1.528000  
1 1 1 8  3  26  o 17.830  0.6681 0.2161000      1.336000  
1 1 1 8  3  27  o 48.330  1.3730 0.1464000E-01  2.745000  
1 1 1 8  3  28  o 16.340  0.6765 0.6918000E-02  1.353000  
1 1 1 8  3  29  o 19.330  0.7121 0.2932000      1.424000  
1 1 1 8  3  30  o 37.890  1.5620 ?              ?         
1 1 1 8  3  31  o 18.580  0.7352 1.208000       1.470000  
1 1 1 8  3  32  o 42.840  1.2330 1.947000       2.466000  
1 1 1 8  3  33  o 18.760  0.7515 -0.1075000     1.503000  
1 1 1 8  3  34  o 27.260  0.8744 -0.3697000E-01 1.749000  
1 1 1 8  3  35  o 37.600  1.1120 -0.7646000     2.224000  
1 1 1 8  3  36  o 22.910  0.8411 -0.5205000     1.682000  
1 1 1 8  3  37  o 31.560  0.9771 1.061000       1.954000  
1 1 1 8  3  38  f 4.9990  1.4320 -0.7305000     2.863000  
1 1 1 8  3  39  o 75.550  2.1560 0.7001000      4.312000  
1 1 1 8  3  40  o 30.290  0.9883 -1.405000      1.977000  
1 1 1 8  3  41  o 16.700  0.9432 -0.8083000     1.886000  
1 1 1 8  3  42  f 18.000  1.2760 ?              ?         
1 1 1 8  3  43  o 13.510  1.4950 ?              ?         
1 1 1 8  3  44  o 24.520  1.2880 ?              ?         
1 1 1 8  3  45  o 17.060  1.3800 ?              ?         
1 1 1 8  3  46  o 15.980  1.5050 ?              ?         
1 1 1 8  3  47  o 24.040  1.3880 ?              ?         
1 1 1 8  3  48  o 9.4520  2.4080 ?              ?         
1 1 1 8  3  49  o 40.320  1.7450 ?              ?         
1 1 1 8  3  50  o 27.580  1.3970 ?              ?         
1 1 1 8  3  51  f 8.7620  2.6230 ?              ?         
1 1 1 8  3  52  o 14.030  1.9520 ?              ?         
1 1 1 8  3  53  o 26.490  1.4360 ?              ?         
1 1 1 8  3  54  o 36.830  1.7150 ?              ?         
1 1 1 8  3  55  o 23.550  1.5960 ?              ?         
1 1 1 8  3  56  f 14.280  2.3270 ?              ?         
1 1 1 8  3  57  o 12.120  2.6330 ?              ?         
1 1 1 8  3  58  o 25.670  1.7140 ?              ?         
1 1 1 8  3  59  o 23.110  1.6820 ?              ?         
1 1 1 8  3  60  o 20.360  1.9570 ?              ?         
1 1 1 8  3  61  o 5.6860  2.5500 ?              ?         
1 1 1 8  3  62  o 7.8370  3.0620 ?              ?         
1 1 1 8  3  63  o 15.130  2.7230 ?              ?         
1 1 1 8  3  64  o 13.950  2.6870 ?              ?         
1 1 1 8  3  65  o 24.050  2.0850 ?              ?         
1 1 1 8  3  66  o 17.200  2.8240 ?              ?         
1 1 1 8  3  67  f 10.060  3.4200 ?              ?         
1 1 1 8  3  68  o 7.9300  3.1620 ?              ?         
1 1 1 8  3  69  o 10.580  3.5240 ?              ?         
1 1 1 8  3  70  o 9.4320  3.5180 ?              ?         
1 1 1 8  3  71  o 10.030  3.5030 ?              ?         
1 1 1 8  3  72  o 7.9170  3.2910 ?              ?         
1 1 1 8  3  73  o 7.5810  3.3190 ?              ?         
1 1 1 8  3  74  o 9.4020  3.6880 ?              ?         
1 1 1 8  3  75  o 8.9160  3.6070 ?              ?         
1 1 1 8  3  76  o 6.9680  3.1170 ?              ?         
1 1 1 8  3  77  o 6.2880  2.9690 ?              ?         
1 1 1 8  3  78  o 11.170  3.8070 ?              ?         
1 1 1 8  3  79  o 9.0270  3.6610 ?              ?         
1 1 1 8  3  80  o 7.5200  3.4100 ?              ?         
1 1 1 8  3  81  f 7.0880  3.3060 ?              ?         
1 1 1 8  3  82  o 6.4730  3.1040 ?              ?         
1 1 1 8  3  83  o 7.0340  3.2970 ?              ?         
1 1 1 8  3  84  o 5.4520  2.6980 ?              ?         
1 1 1 8  3  85  o 7.2800  3.3150 ?              ?         
1 1 1 8  3  86  o 5.9630  2.8740 ?              ?         
1 1 1 8  3  87  o 6.1600  2.9010 ?              ?         
1 1 1 8  3  88  o 6.6940  3.0750 ?              ?         
1 1 1 8  3  89  o 6.5370  3.0540 ?              ?         
1 1 1 8  3  90  f 4.9190  2.4650 ?              ?         
1 1 1 8  3  91  o 7.3000  3.3280 ?              ?         
1 1 1 8  3  92  f 4.9010  2.4570 ?              ?         
1 1 1 8  3  93  o 5.0340  2.4860 ?              ?         
1 1 1 8  3  94  o 6.4100  2.9630 ?              ?         
1 1 1 8  3  95  o 4.4480  2.2000 ?              ?         
1 1 1 8  3  96  o 4.3200  2.0740 ?              ?         
1 1 1 8  4  0   o 12.370  0.3231 0.000000       0.000000  
1 1 1 8  4  1   o 32.020  0.4489 -0.6074000     0.8978000 
1 1 1 8  4  2   o 54.440  0.7509 -0.1335000     1.502000  
1 1 1 8  4  3   o 44.950  0.7625 -0.1166000     1.525000  
1 1 1 8  4  4   o 41.880  0.6279 -0.5706000     1.256000  
1 1 1 8  4  5   o 40.830  0.6140 -1.469000      1.228000  
1 1 1 8  4  6   o 29.820  0.4542 1.361000       0.9084000 
1 1 1 8  4  7   o 28.430  0.4359 -1.390000      0.8718000 
1 1 1 8  4  8   o 15.920  0.3123 -3.258000      0.6247000 
1 1 1 8  4  9   o 5.1770  0.3133 -0.3679000     0.6267000 
1 1 1 8  4  10  o 20.350  0.4733 -2.474000      0.9466000 
1 1 1 8  4  11  o 59.650  1.3390 -2.780000      2.679000  
1 1 1 8  4  12  o 67.730  1.5590 1.700000       3.118000  
1 1 1 8  4  13  o 30.740  0.7385 5.325000       1.477000  
1 1 1 8  4  14  o 13.480  0.4152 6.434000       0.8304000 
1 1 1 8  4  15  o 26.920  0.6130 -2.728000      1.226000  
1 1 1 8  4  16  f 40.360  0.9847 1.011000       1.969000  
1 1 1 8  4  17  f 41.440  1.0030 -1.080000      2.006000  
1 1 1 8  4  18  o 43.620  1.0580 -1.020000      2.116000  
1 1 1 8  4  19  o 21.710  0.5864 2.099000       1.173000  
1 1 1 8  4  20  o 24.090  0.6367 1.211000       1.273000  
1 1 1 8  4  21  o 42.900  1.0450 -1.099000      2.090000  
1 1 1 8  4  22  o 47.400  1.1600 0.6103000      2.320000  
1 1 1 8  4  23  o 64.120  1.5630 -0.3509000     3.127000  
1 1 1 8  4  24  o 20.730  0.6015 0.8419000      1.203000  
1 1 1 8  4  25  o 33.130  0.8387 0.8294000      1.677000  
1 1 1 8  4  26  o 19.700  0.6081 -0.7334000E-02 1.216000  
1 1 1 8  4  27  o 26.870  0.7142 -1.189000      1.428000  
1 1 1 8  4  28  o 40.340  1.0090 1.325000       2.019000  
1 1 1 8  4  29  o 15.200  0.6235 0.6295000      1.247000  
1 1 1 8  4  30  o 33.050  0.8491 -0.4116000     1.698000  
1 1 1 8  4  31  o 25.420  0.7143 0.4589000E-01  1.429000  
1 1 1 8  4  32  o 7.0540  1.1610 -0.6547000     2.323000  
1 1 1 8  4  33  o 15.930  0.6772 -1.622000      1.354000  
1 1 1 8  4  34  o 34.410  0.8945 -0.3647000     1.789000  
1 1 1 8  4  35  o 28.270  0.7822 -0.4317000E-01 1.564000  
1 1 1 8  4  36  o 15.270  0.7577 -0.2671000     1.515000  
1 1 1 8  4  37  o 15.940  0.7683 0.8741000      1.537000  
1 1 1 8  4  38  o 34.730  0.9255 1.041000       1.851000  
1 1 1 8  4  39  o 43.410  1.1070 0.8591000      2.214000  
1 1 1 8  4  40  o 43.640  1.1120 0.9923000E-01  2.225000  
1 1 1 8  4  41  f 69.080  1.6950 -0.9729000     3.390000  
1 1 1 8  4  42  o 20.330  0.8083 0.3030000      1.617000  
1 1 1 8  4  43  o 45.160  1.3220 1.012000       2.644000  
1 1 1 8  4  44  o 28.430  0.9835 1.434000       1.967000  
1 1 1 8  4  45  o 15.190  1.0870 -1.224000      2.174000  
1 1 1 8  4  46  o 16.190  1.0720 1.129000       2.144000  
1 1 1 8  4  47  o 18.190  1.0640 1.137000       2.128000  
1 1 1 8  4  48  o 34.530  1.5750 ?              ?         
1 1 1 8  4  49  o 29.750  1.4770 ?              ?         
1 1 1 8  4  50  o 38.330  1.6870 ?              ?         
1 1 1 8  4  51  f 17.080  1.6030 ?              ?         
1 1 1 8  4  52  o 7.9530  2.6170 ?              ?         
1 1 1 8  4  53  o 29.380  1.5350 ?              ?         
1 1 1 8  4  54  o 30.900  1.5460 ?              ?         
1 1 1 8  4  55  o 7.0680  2.7680 ?              ?         
1 1 1 8  4  56  o 43.420  1.9310 ?              ?         
1 1 1 8  4  57  f 18.550  1.7480 ?              ?         
1 1 1 8  4  58  o 28.080  1.7100 ?              ?         
1 1 1 8  4  59  o 28.050  1.6210 ?              ?         
1 1 1 8  4  60  o 9.0350  3.1230 ?              ?         
1 1 1 8  4  61  o 34.310  1.7530 ?              ?         
1 1 1 8  4  62  o 29.590  1.8490 ?              ?         
1 1 1 8  4  63  o 25.450  1.8250 ?              ?         
1 1 1 8  4  64  o 7.8250  3.2350 ?              ?         
1 1 1 8  4  65  o 12.110  3.4650 ?              ?         
1 1 1 8  4  66  o 12.280  3.1680 ?              ?         
1 1 1 8  4  67  o 8.8250  3.4150 ?              ?         
1 1 1 8  4  68  o 9.3730  3.5310 ?              ?         
1 1 1 8  4  69  o 9.9780  3.4050 ?              ?         
1 1 1 8  4  70  o 17.390  3.0400 ?              ?         
1 1 1 8  4  71  o 9.1190  3.6170 ?              ?         
1 1 1 8  4  72  o 7.4050  3.1980 ?              ?         
1 1 1 8  4  73  o 10.030  3.7450 ?              ?         
1 1 1 8  4  74  o 15.040  3.5940 ?              ?         
1 1 1 8  4  75  o 11.080  3.8310 ?              ?         
1 1 1 8  4  76  o 8.3810  3.4230 ?              ?         
1 1 1 8  4  77  o 6.9080  3.1500 ?              ?         
1 1 1 8  4  78  o 9.8150  3.8740 ?              ?         
1 1 1 8  4  79  o 8.7150  2.6110 1.637000       5.222000  
1 1 1 8  4  80  o 7.0630  2.3110 1.346000       4.621000  
1 1 1 8  4  81  o 6.9360  2.2390 0.8521000      4.477000  
1 1 1 8  4  82  o 6.0960  2.0720 -0.6281000     4.144000  
1 1 1 8  4  83  o 6.8670  2.2650 0.8303000      4.530000  
1 1 1 8  4  84  o 6.5710  2.2350 0.7437000E-01  4.471000  
1 1 1 8  4  85  o 6.4750  2.2120 -0.3072000     4.425000  
1 1 1 8  4  86  o 5.5450  1.9440 -0.3476000     3.889000  
1 1 1 8  4  87  o 7.1940  2.3160 -2.221000      4.632000  
1 1 1 8  4  88  o 6.5270  2.1690 1.034000       4.339000  
1 1 1 8  4  89  o 7.2280  2.2920 -0.4359000     4.583000  
1 1 1 8  4  90  o 5.3050  1.8470 -0.3637000     3.694000  
1 1 1 8  4  91  o 5.5510  1.9310 -1.033000      3.862000  
1 1 1 8  4  92  o 6.3710  2.1160 -1.451000      4.232000  
1 1 1 8  4  93  o 5.1100  1.7750 -0.2768000     3.550000  
1 1 1 8  4  94  o 4.8600  1.7020 -0.3996000     3.404000  
1 1 1 8  4  95  o 3.8160  1.3540 0.5556000      2.709000  
1 1 1 8  4  96  o 3.5310  1.2490 -0.2332000     2.499000  
1 1 1 8  5  0   o 25.270  0.5971 -0.000000      0.000000  
1 1 1 8  5  1   o 56.870  0.7849 -0.1077000     1.570000  
1 1 1 8  5  2   o 52.410  0.7236 -0.6810000     1.447000  
1 1 1 8  5  3   o 7.0070  0.4423 -4.116000      0.8847000 
1 1 1 8  5  4   o 32.360  0.4540 -0.5927000     0.9080000 
1 1 1 8  5  5   o 14.690  0.3071 0.4678000      0.6141000 
1 1 1 8  5  6   o 49.220  0.7348 1.268000       1.470000  
1 1 1 8  5  7   o 20.520  0.3944 3.794000       0.7888000 
1 1 1 8  5  8   o 38.040  0.5744 0.4290000      1.149000  
1 1 1 8  5  9   f 34.680  0.5246 0.3835000      1.049000  
1 1 1 8  5  10  o 67.520  1.0080 1.783000       2.017000  
1 1 1 8  5  11  o 55.400  0.8278 -0.1259000     1.656000  
1 1 1 8  5  12  o 26.620  0.7583 ?              ?         
1 1 1 8  5  13  o 14.630  0.3509 0.2477000      0.7018000 
1 1 1 8  5  14  o 28.490  0.5314 -1.455000      1.063000  
1 1 1 8  5  15  o 18.550  0.3933 1.045000       0.7867000 
1 1 1 8  5  16  o 30.520  0.5665 -0.7160000     1.133000  
1 1 1 8  5  17  o 32.370  0.7490 -0.6975000E-01 1.498000  
1 1 1 8  5  18  o 14.880  0.4878 0.3514000      0.9756000 
1 1 1 8  5  19  o 17.260  0.5162 -3.483000      1.032000  
1 1 1 8  5  20  o 9.4700  0.5758 -1.155000      1.152000  
1 1 1 8  5  21  o 47.380  1.1480 -1.347000      2.297000  
1 1 1 8  5  22  o 7.3410  0.8515 3.639000       1.703000  
1 1 1 8  5  23  o 18.270  0.5552 -0.8602000     1.110000  
1 1 1 8  5  24  o 28.300  0.7297 -0.2838000     1.459000  
1 1 1 8  5  25  o 6.8220  0.9441 -1.826000      1.888000  
1 1 1 8  5  26  o 33.600  0.8534 0.9645000      1.707000  
1 1 1 8  5  27  o 31.010  0.7962 -0.1629000     1.592000  
1 1 1 8  5  28  o 7.9280  0.9558 2.577000       1.912000  
1 1 1 8  5  29  o 20.200  0.6419 0.7816000      1.284000  
1 1 1 8  5  30  o 17.440  0.6426 0.8045000      1.285000  
1 1 1 8  5  31  o 28.510  0.7656 -0.3639000     1.531000  
1 1 1 8  5  32  o 47.390  1.1830 1.308000       2.366000  
1 1 1 8  5  33  o 11.970  0.7969 2.067000       1.594000  
1 1 1 8  5  34  o 6.5220  1.2530 -1.096000      2.507000  
1 1 1 8  5  35  o 15.380  0.7322 -2.549000      1.464000  
1 1 1 8  5  36  o 39.550  1.0030 -1.243000      2.006000  
1 1 1 8  5  37  o 63.190  1.5500 -0.4502000     3.100000  
1 1 1 8  5  38  o 25.500  0.7659 -0.7295000     1.532000  
1 1 1 8  5  39  o 19.530  0.9477 ?              ?         
1 1 1 8  5  40  o 20.340  0.7579 0.8535000      1.516000  
1 1 1 8  5  41  f 38.260  1.0090 0.5631000      2.018000  
1 1 1 8  5  42  o 53.890  1.3450 0.5473000      2.690000  
1 1 1 8  5  43  o 61.440  1.5250 1.988000       3.050000  
1 1 1 8  5  44  o 33.700  0.9492 2.677000       1.898000  
1 1 1 8  5  45  o 33.030  0.9459 1.080000       1.892000  
1 1 1 8  5  46  o 37.450  1.0130 0.3567000      2.026000  
1 1 1 8  5  47  o 58.140  1.4510 -0.3658000     2.902000  
1 1 1 8  5  48  f 15.650  1.0590 0.9009000      2.117000  
1 1 1 8  5  49  o 49.720  1.2650 -2.242000      2.530000  
1 1 1 8  5  50  o 31.800  0.9590 -0.1670000     1.918000  
1 1 1 8  5  51  o 14.070  1.2410 2.939000       2.482000  
1 1 1 8  5  52  f 15.630  1.1750 0.1006000      2.349000  
1 1 1 8  5  53  o 26.240  0.9495 -0.5581000     1.899000  
1 1 1 8  5  54  o 28.150  1.2090 -0.3120000     2.419000  
1 1 1 8  5  55  o 16.530  1.5910 -2.545000      3.182000  
1 1 1 8  5  56  o 8.2240  2.1300 1.531000       4.259000  
1 1 1 8  5  57  o 22.640  1.3540 -1.575000      2.708000  
1 1 1 8  5  58  o 10.840  2.1860 -0.6965000     4.372000  
1 1 1 8  5  59  o 20.000  1.4820 -0.2822000     2.964000  
1 1 1 8  5  60  o 38.250  1.3690 -0.5025000     2.738000  
1 1 1 8  5  61  o 9.6050  2.3640 -2.760000      4.728000  
1 1 1 8  5  62  o 15.430  2.0110 -1.580000      4.022000  
1 1 1 8  5  63  o 7.7930  2.2480 -1.880000      4.497000  
1 1 1 8  5  64  o 28.060  1.4700 -1.208000      2.939000  
1 1 1 8  5  65  o 7.4990  2.3070 -1.576000      4.613000  
1 1 1 8  5  66  o 15.800  2.2590 -7.742000      4.519000  
1 1 1 8  5  67  o 10.640  2.5800 -1.390000      5.160000  
1 1 1 8  5  68  o 14.620  2.4840 -2.412000      4.969000  
1 1 1 8  5  69  o 10.270  2.5470 2.003000       5.094000  
1 1 1 8  5  70  o 13.670  2.6160 3.521000       5.231000  
1 1 1 8  5  71  o 8.0660  2.4670 0.6866000      4.933000  
1 1 1 8  5  72  o 7.6050  2.3800 -0.9809000     4.760000  
1 1 1 8  5  73  o 8.9420  2.5560 1.553000       5.112000  
1 1 1 8  5  74  o 9.0870  2.5870 -1.786000      5.175000  
1 1 1 8  5  75  f 7.1320  2.2530 0.8370000      4.506000  
1 1 1 8  5  76  f 7.5240  2.3890 0.3673000      4.779000  
1 1 1 8  5  77  o 9.3500  2.6830 1.811000       5.365000  
1 1 1 8  5  78  o 8.8310  2.6760 -0.4525000     5.352000  
1 1 1 8  5  79  o 7.2430  2.3470 -1.274000      4.694000  
1 1 1 8  5  80  o 8.8070  2.5780 -3.924000      5.157000  
1 1 1 8  5  81  f 6.8380  2.2510 1.147000       4.503000  
1 1 1 8  5  82  o 6.8880  2.3040 -1.360000      4.609000  
1 1 1 8  5  83  o 7.3370  2.3920 -0.1210000     4.785000  
1 1 1 8  5  84  f 6.4170  2.1920 -0.2831000     4.383000  
1 1 1 8  5  85  o 6.0270  2.0760 0.5135000      4.152000  
1 1 1 8  5  86  o 6.4930  2.1860 1.679000       4.372000  
1 1 1 8  5  87  o 6.8510  2.2680 -0.4454000     4.536000  
1 1 1 8  5  88  o 6.4370  2.1580 1.139000       4.316000  
1 1 1 8  5  89  o 5.2660  1.8530 0.2418000      3.705000  
1 1 1 8  5  90  o 5.3500  1.8730 0.1723000      3.746000  
1 1 1 8  5  91  o 5.2210  1.8370 0.7767000      3.675000  
1 1 1 8  5  92  o 6.0100  2.0140 0.5489000      4.029000  
1 1 1 8  5  93  o 5.4330  1.8730 -0.9931000     3.746000  
1 1 1 8  5  94  o 4.8420  1.6970 0.3789000      3.395000  
1 1 1 8  5  95  o 4.0510  1.4220 -0.5721000     2.844000  
1 1 1 8  5  96  o 4.1780  2.0640 ?              ?         
1 1 1 8  6  0   f 37.460  0.7400 -0.000000      0.000000  
1 1 1 8  6  1   o 24.050  0.3498 0.1224000      0.6995000 
1 1 1 8  6  2   o 36.340  0.5086 -0.3437000     1.017000  
1 1 1 8  6  3   o 35.730  0.4994 -0.2378000     0.9989000 
1 1 1 8  6  4   o 51.300  0.7100 -1.605000      1.420000  
1 1 1 8  6  5   o 61.410  0.8492 -1.692000      1.698000  
1 1 1 8  6  6   o 16.490  0.3194 -0.4406000     0.6389000 
1 1 1 8  6  7   o 21.410  0.3439 0.8887000      0.6879000 
1 1 1 8  6  8   o 23.290  0.3696 -0.2762000E-01 0.7392000 
1 1 1 8  6  9   o 38.950  0.5853 2.172000       1.171000  
1 1 1 8  6  10  o 32.740  0.5000 -1.068000      1.000000  
1 1 1 8  6  11  o 39.670  0.6449 0.5879000      1.290000  
1 1 1 8  6  12  o 47.310  0.7103 0.1375000      1.421000  
1 1 1 8  6  13  f 32.990  0.5047 1.488000       1.009000  
1 1 1 8  6  14  o 65.710  1.0540 -1.181000      2.109000  
1 1 1 8  6  15  o 17.100  0.5922 ?              ?         
1 1 1 8  6  16  o 29.260  0.5475 -1.257000      1.095000  
1 1 1 8  6  17  o 20.470  0.4340 -0.1930000E-01 0.8680000 
1 1 1 8  6  18  o 37.230  0.6803 -1.528000      1.361000  
1 1 1 8  6  19  o 13.560  0.4626 1.553000       0.9253000 
1 1 1 8  6  20  o 43.710  0.7942 -2.303000      1.588000  
1 1 1 8  6  21  o 23.020  0.5907 ?              ?         
1 1 1 8  6  22  o 43.710  0.8009 0.1338000      1.602000  
1 1 1 8  6  23  o 10.860  0.5844 1.817000       1.169000  
1 1 1 8  6  24  o 46.920  0.9397 -0.4110000     1.879000  
1 1 1 8  6  25  o 25.380  0.7001 4.004000       1.400000  
1 1 1 8  6  26  o 34.030  0.8700 1.623000       1.740000  
1 1 1 8  6  27  o 16.690  0.7950 1.961000       1.590000  
1 1 1 8  6  28  o 8.3650  0.9264 2.587000       1.853000  
1 1 1 8  6  29  o 15.970  0.6216 -2.348000      1.243000  
1 1 1 8  6  30  o 10.890  0.7508 0.5820000      1.502000  
1 1 1 8  6  31  f 6.9330  1.1640 0.5344000      2.328000  
1 1 1 8  6  32  o 34.670  0.8924 0.1512000      1.785000  
1 1 1 8  6  33  o 8.7250  1.0410 -1.463000      2.082000  
1 1 1 8  6  34  o 21.910  0.6996 0.4140000      1.399000  
1 1 1 8  6  35  o 11.240  0.8689 -0.1742000     1.738000  
1 1 1 8  6  36  o 20.380  0.7116 0.1494000      1.423000  
1 1 1 8  6  37  o 22.330  0.7436 1.333000       1.487000  
1 1 1 8  6  38  o 30.030  0.8325 0.4355000      1.665000  
1 1 1 8  6  39  o 7.4930  1.3790 1.225000       2.759000  
1 1 1 8  6  40  o 18.370  0.7928 -0.1650000     1.586000  
1 1 1 8  6  41  o 36.710  0.9667 -0.2303000     1.933000  
1 1 1 8  6  42  o 11.750  1.0990 -0.3281000     2.199000  
1 1 1 8  6  43  o 34.560  0.9422 0.7298000      1.884000  
1 1 1 8  6  44  o 56.660  1.4090 -2.193000      2.819000  
1 1 1 8  6  45  o 27.780  0.8661 0.9243000E-01  1.732000  
1 1 1 8  6  46  o 11.550  1.2830 -2.137000      2.566000  
1 1 1 8  6  47  o 21.710  0.8829 0.3709000      1.766000  
1 1 1 8  6  48  o 41.860  1.1110 1.254000       2.223000  
1 1 1 8  6  49  o 26.440  0.9229 2.303000       1.846000  
1 1 1 8  6  50  o 28.550  0.9558 -1.631000      1.912000  
1 1 1 8  6  51  f 47.420  1.2480 1.313000       2.495000  
1 1 1 8  6  52  o 16.650  1.1810 -0.5698000     2.361000  
1 1 1 8  6  53  o 13.890  1.2980 0.5560000      2.596000  
1 1 1 8  6  54  o 6.7620  1.8100 2.653000       3.620000  
1 1 1 8  6  55  o 5.5180  1.6910 -0.8584000     3.383000  
1 1 1 8  6  56  o 20.610  1.1010 0.7133000      2.202000  
1 1 1 8  6  57  o 10.650  1.8690 3.126000       3.738000  
1 1 1 8  6  58  o 6.8810  1.9200 1.916000       3.839000  
1 1 1 8  6  59  o 15.130  1.5090 2.030000       3.017000  
1 1 1 8  6  60  o 7.8390  2.2720 -2.088000      4.544000  
1 1 1 8  6  61  o 42.110  1.4570 -1.287000      2.915000  
1 1 1 8  6  62  o 25.700  1.4290 1.957000       2.858000  
1 1 1 8  6  63  o 10.250  2.1760 5.442000       4.353000  
1 1 1 8  6  64  f 14.980  2.1430 -4.172000      4.286000  
1 1 1 8  6  65  o 11.230  2.5040 0.7738000      5.009000  
1 1 1 8  6  66  o 12.280  2.5260 0.7262000      5.051000  
1 1 1 8  6  67  o 17.790  2.0570 -1.424000      4.114000  
1 1 1 8  6  68  o 16.400  2.3540 2.059000       4.708000  
1 1 1 8  6  69  o 6.2460  2.0850 -0.4675000     4.169000  
1 1 1 8  6  70  o 13.390  2.5210 5.874000       5.041000  
1 1 1 8  6  71  o 7.5420  2.3760 0.3360000      4.751000  
1 1 1 8  6  72  o 9.3800  2.6350 1.356000       5.269000  
1 1 1 8  6  73  o 8.3720  2.5130 0.5738000      5.026000  
1 1 1 8  6  74  o 6.5810  2.1810 -1.011000      4.362000  
1 1 1 8  6  75  o 10.720  2.7920 -0.7351000     5.584000  
1 1 1 8  6  76  o 8.1080  2.5390 -1.267000      5.079000  
1 1 1 8  6  77  o 7.3120  2.3850 -2.345000      4.770000  
1 1 1 8  6  78  o 7.0770  2.3090 1.883000       4.618000  
1 1 1 8  6  79  o 7.9790  2.4930 0.7375000      4.985000  
1 1 1 8  6  80  o 9.5080  2.6890 -2.923000      5.377000  
1 1 1 8  6  81  o 6.6100  2.1910 0.2118000      4.383000  
1 1 1 8  6  82  o 7.4100  2.4240 -1.667000      4.849000  
1 1 1 8  6  83  o 6.0490  2.0950 0.4377000      4.189000  
1 1 1 8  6  84  o 6.4950  2.2010 -0.7904000     4.403000  
1 1 1 8  6  85  o 7.0160  2.3050 -1.419000      4.610000  
1 1 1 8  6  86  o 6.0590  2.0620 -1.419000      4.124000  
1 1 1 8  6  87  o 6.3170  2.1220 1.382000       4.244000  
1 1 1 8  6  88  o 6.3790  2.1470 1.438000       4.294000  
1 1 1 8  6  89  o 5.1360  1.8200 0.7608000      3.640000  
1 1 1 8  6  90  o 6.5840  2.1900 -0.9678000     4.381000  
1 1 1 8  6  91  o 5.2670  1.8280 1.286000       3.656000  
1 1 1 8  6  92  o 4.5660  1.6170 0.4114000      3.234000  
1 1 1 8  6  93  f 4.5890  1.6340 1.327000       3.268000  
1 1 1 8  6  94  o 4.4030  1.5450 0.3732000      3.090000  
1 1 1 8  6  95  o 4.4480  1.5210 -0.2457000     3.041000  
1 1 1 8  7  0   o 5.6490  0.5508 0.000000       0.000000  
1 1 1 8  7  1   o 11.370  0.2961 1.075000       0.5922000 
1 1 1 8  7  2   f 51.010  0.7068 -0.2919000     1.414000  
1 1 1 8  7  3   o 12.260  0.3518 1.317000       0.7036000 
1 1 1 8  7  4   o 26.250  0.3811 0.7782000      0.7622000 
1 1 1 8  7  5   o 57.720  0.7994 -0.1975000     1.599000  
1 1 1 8  7  6   o 63.310  0.8760 -2.726000      1.752000  
1 1 1 8  7  7   o 22.330  0.3901 0.6553000      0.7802000 
1 1 1 8  7  8   o 40.400  0.5654 0.4530000      1.131000  
1 1 1 8  7  9   o 48.080  0.7191 1.971000       1.438000  
1 1 1 8  7  10  o 23.320  0.4512 0.3198000E-01  0.9024000 
1 1 1 8  7  11  o 52.100  0.7817 1.293000       1.563000  
1 1 1 8  7  12  o 16.480  0.3686 -1.155000      0.7373000 
1 1 1 8  7  13  o 36.800  0.5610 -0.6868000     1.122000  
1 1 1 8  7  14  o 45.640  0.6892 -0.7355000     1.378000  
1 1 1 8  7  15  o 39.900  0.6057 -0.3658000     1.211000  
1 1 1 8  7  16  o 33.660  0.5583 0.6437000      1.117000  
1 1 1 8  7  17  o 53.040  0.8560 -0.6641000     1.712000  
1 1 1 8  7  18  o 39.900  0.9200 ?              ?         
1 1 1 8  7  19  o 12.920  0.7066 ?              ?         
1 1 1 8  7  20  o 14.010  0.4007 -0.3664000     0.8014000 
1 1 1 8  7  21  f 23.610  0.4883 -1.633000      0.9766000 
1 1 1 8  7  22  o 23.930  0.4897 0.1790000      0.9794000 
1 1 1 8  7  23  o 42.770  0.7813 -2.436000      1.563000  
1 1 1 8  7  24  o 25.830  0.5264 -0.4378000     1.053000  
1 1 1 8  7  25  o 19.730  0.5761 ?              ?         
1 1 1 8  7  26  o 21.640  0.5567 -2.341000      1.113000  
1 1 1 8  7  27  o 40.380  0.8287 0.5055000      1.657000  
1 1 1 8  7  28  o 55.510  1.1130 -0.6841000     2.225000  
1 1 1 8  7  29  o 36.280  0.7664 2.144000       1.533000  
1 1 1 8  7  30  o 28.910  0.6550 0.9115000      1.310000  
1 1 1 8  7  31  o 45.450  0.9249 0.5135000E-01  1.850000  
1 1 1 8  7  32  o 24.410  0.7091 -0.9463000     1.418000  
1 1 1 8  7  33  o 33.980  0.8777 -0.6737000     1.755000  
1 1 1 8  7  34  o 20.770  0.7261 5.316000       1.452000  
1 1 1 8  7  35  o 39.090  0.9898 -1.137000      1.980000  
1 1 1 8  7  36  o 28.190  0.7964 -1.041000      1.593000  
1 1 1 8  7  37  o 63.120  1.5420 -1.242000      3.084000  
1 1 1 8  7  38  o 14.970  0.8200 1.518000       1.640000  
1 1 1 8  7  39  o 19.260  0.7695 0.2784000      1.539000  
1 1 1 8  7  40  o 37.340  0.9786 0.7929000      1.957000  
1 1 1 8  7  41  o 23.860  0.8032 1.490000       1.606000  
1 1 1 8  7  42  o 11.180  1.1820 -2.402000      2.365000  
1 1 1 8  7  43  f 56.830  1.4060 -1.180000      2.812000  
1 1 1 8  7  44  o 41.070  1.0780 1.555000       2.156000  
1 1 1 8  7  45  o 30.680  0.8878 -0.3721000     1.776000  
1 1 1 8  7  46  o 36.720  0.9959 -0.7962000     1.992000  
1 1 1 8  7  47  o 13.570  1.1310 1.865000       2.263000  
1 1 1 8  7  48  o 20.050  0.9018 1.803000       1.804000  
1 1 1 8  7  49  o 15.250  1.4640 ?              ?         
1 1 1 8  7  50  o 40.300  1.0900 -1.188000      2.180000  
1 1 1 8  7  51  o 36.220  1.0350 0.8165000      2.070000  
1 1 1 8  7  52  o 37.030  1.0650 1.588000       2.129000  
1 1 1 8  7  53  o 30.760  1.0070 -0.3457000     2.015000  
1 1 1 8  7  54  o 19.930  1.1240 0.1546000      2.247000  
1 1 1 8  7  55  o 17.910  1.2160 2.059000       2.432000  
1 1 1 8  7  56  o 12.480  1.6260 4.374000       3.252000  
1 1 1 8  7  57  o 5.4810  1.6990 2.886000       3.397000  
1 1 1 8  7  58  o 6.9180  1.9460 2.185000       3.892000  
1 1 1 8  7  59  o 24.770  1.1850 0.2017000      2.370000  
1 1 1 8  7  60  f 37.600  1.1730 -0.3265000     2.346000  
1 1 1 8  7  61  o 15.100  1.7380 -3.683000      3.475000  
1 1 1 8  7  62  o 8.5430  2.1390 -1.511000      4.278000  
1 1 1 8  7  63  o 22.010  1.2760 0.2400000      2.552000  
1 1 1 8  7  64  o 30.620  1.1730 -0.7426000     2.345000  
1 1 1 8  7  65  o 7.5720  2.2120 1.429000       4.425000  
1 1 1 8  7  66  o 8.3320  2.4040 -0.5975000     4.808000  
1 1 1 8  7  67  o 23.440  1.7120 -1.335000      3.425000  
1 1 1 8  7  68  o 13.140  2.6000 -1.313000      5.199000  
1 1 1 8  7  69  o 10.860  2.6890 0.6182000E-01  5.378000  
1 1 1 8  7  70  o 8.1940  2.4870 -1.655000      4.975000  
1 1 1 8  7  71  o 9.7370  2.5440 2.314000       5.089000  
1 1 1 8  7  72  o 13.650  2.5120 -7.807000      5.025000  
1 1 1 8  7  73  o 8.6680  2.4980 -0.6593000     4.996000  
1 1 1 8  7  74  o 8.5090  2.5800 -2.495000      5.160000  
1 1 1 8  7  75  o 8.8780  2.5890 2.461000       5.177000  
1 1 1 8  7  76  o 9.1520  2.6820 -0.2421000     5.365000  
1 1 1 8  7  77  o 8.4580  2.5990 -0.9692000     5.199000  
1 1 1 8  7  78  o 12.600  2.7900 -8.172000      5.580000  
1 1 1 8  7  79  o 7.3330  2.3930 -0.4635000     4.786000  
1 1 1 8  7  80  o 7.2860  2.3850 -0.8398000     4.770000  
1 1 1 8  7  81  o 7.5040  2.4490 -3.081000      4.899000  
1 1 1 8  7  82  o 7.1650  2.3370 0.2058000      4.674000  
1 1 1 8  7  83  o 6.7430  2.2480 1.585000       4.496000  
1 1 1 8  7  84  o 6.2730  2.1190 1.248000       4.239000  
1 1 1 8  7  85  o 6.7900  2.2180 -3.301000      4.436000  
1 1 1 8  7  86  o 5.9710  1.9900 2.152000       3.979000  
1 1 1 8  7  87  o 5.6690  1.9590 0.1861000      3.919000  
1 1 1 8  7  88  o 5.2360  1.8440 0.3980000      3.688000  
1 1 1 8  7  89  o 6.8020  2.2520 0.6035000      4.505000  
1 1 1 8  7  90  o 5.3620  1.8710 -0.9666000     3.742000  
1 1 1 8  7  91  o 4.7680  1.6810 0.3393000      3.362000  
1 1 1 8  7  92  o 5.4610  1.8910 -1.119000      3.781000  
1 1 1 8  7  93  o 5.4000  1.8410 -1.237000      3.681000  
1 1 1 8  7  94  o 3.9070  1.3850 -0.4957000E-01 2.771000  
1 1 1 8  8  0   o 16.670  0.4675 0.000000       0.000000  
1 1 1 8  8  1   o 91.400  1.2730 0.2398000      2.545000  
1 1 1 8  8  2   f 25.670  0.4050 0.8113000      0.8099000 
1 1 1 8  8  3   f 33.560  0.4743 -0.1802000     0.9485000 
1 1 1 8  8  4   o 9.5860  0.3093 1.554000       0.6186000 
1 1 1 8  8  5   o 20.280  0.3173 -0.4178000     0.6346000 
1 1 1 8  8  6   o 58.640  0.8126 0.2240000      1.625000  
1 1 1 8  8  7   o 36.880  0.6709 0.3304000      1.342000  
1 1 1 8  8  8   o 28.450  0.4111 -0.3740000     0.8222000 
1 1 1 8  8  9   o 38.440  0.5850 0.2368000      1.170000  
1 1 1 8  8  10  o 24.530  0.4237 -2.624000      0.8474000 
1 1 1 8  8  11  o 24.610  0.3966 0.5067000      0.7931000 
1 1 1 8  8  12  o 24.270  0.3928 -0.3607000     0.7857000 
1 1 1 8  8  13  o 32.840  0.5061 0.6759000      1.012000  
1 1 1 8  8  14  o 14.860  0.3747 -2.225000      0.7494000 
1 1 1 8  8  15  o 22.050  0.3721 0.7993000      0.7442000 
1 1 1 8  8  16  o 28.860  0.4555 0.1365000      0.9110000 
1 1 1 8  8  17  o 18.370  0.3580 1.057000       0.7161000 
1 1 1 8  8  18  o 23.410  0.4238 -0.6817000     0.8475000 
1 1 1 8  8  19  o 30.430  0.5154 -0.3862000     1.031000  
1 1 1 8  8  20  o 24.700  0.4459 -0.4134000     0.8918000 
1 1 1 8  8  21  o 26.360  0.5231 -1.139000      1.046000  
1 1 1 8  8  22  o 49.010  0.8883 -2.352000      1.777000  
1 1 1 8  8  23  o 51.410  0.9386 0.7953000      1.877000  
1 1 1 8  8  24  o 51.680  0.9401 -0.2795000     1.880000  
1 1 1 8  8  25  o 21.410  0.6112 ?              ?         
1 1 1 8  8  26  o 11.190  0.5213 1.734000       1.043000  
1 1 1 8  8  27  o 57.790  1.3220 ?              ?         
1 1 1 8  8  28  o 36.410  0.8731 ?              ?         
1 1 1 8  8  29  o 17.350  0.4869 1.130000       0.9738000 
1 1 1 8  8  30  o 40.470  0.8372 -0.5734000     1.674000  
1 1 1 8  8  31  o 18.870  0.6009 1.399000       1.202000  
1 1 1 8  8  32  o 13.340  0.7092 0.8684000      1.418000  
1 1 1 8  8  33  o 66.170  1.3210 -0.7604000     2.642000  
1 1 1 8  8  34  o 10.270  1.3930 ?              ?         
1 1 1 8  8  35  o 88.710  1.7640 -0.5391000     3.527000  
1 1 1 8  8  36  o 30.610  1.0270 ?              ?         
1 1 1 8  8  37  o 18.580  0.6634 -1.225000      1.327000  
1 1 1 8  8  38  o 57.100  1.1520 0.1288000      2.303000  
1 1 1 8  8  39  o 54.260  1.3540 2.336000       2.707000  
1 1 1 8  8  40  o 16.810  0.8386 3.287000       1.677000  
1 1 1 8  8  41  o 39.570  1.0370 1.901000       2.075000  
1 1 1 8  8  42  o 58.370  1.4430 -1.370000      2.886000  
1 1 1 8  8  43  o 34.250  0.9435 1.709000       1.887000  
1 1 1 8  8  44  o 17.730  0.8614 -1.137000      1.723000  
1 1 1 8  8  45  o 7.2840  1.5040 -3.732000      3.008000  
1 1 1 8  8  46  f 7.4720  1.6180 -0.1572000     3.236000  
1 1 1 8  8  47  o 35.480  0.9838 -1.279000      1.968000  
1 1 1 8  8  48  o 6.7600  1.6530 -0.9544000     3.306000  
1 1 1 8  8  49  o 18.180  0.9865 -1.461000      1.973000  
1 1 1 8  8  50  o 6.7770  1.7140 -1.308000      3.428000  
1 1 1 8  8  51  o 34.070  1.0140 -0.1631000     2.028000  
1 1 1 8  8  52  o 19.400  1.1020 1.558000       2.204000  
1 1 1 8  8  53  o 42.610  1.1530 -0.4163000     2.306000  
1 1 1 8  8  54  o 30.610  1.2500 ?              ?         
1 1 1 8  8  55  o 12.590  1.5390 -1.662000      3.078000  
1 1 1 8  8  56  o 5.2330  1.6690 1.899000       3.337000  
1 1 1 8  8  57  o 34.380  1.0820 -0.4381000     2.164000  
1 1 1 8  8  58  o 7.9130  2.0180 3.989000       4.035000  
1 1 1 8  8  59  o 12.280  1.9350 1.937000       3.870000  
1 1 1 8  8  60  o 19.240  1.3250 -0.4423000     2.649000  
1 1 1 8  8  61  o 21.410  1.2580 -0.1169000     2.516000  
1 1 1 8  8  62  f 7.2050  2.0930 0.6434000      4.187000  
1 1 1 8  8  63  o 21.710  1.2630 4.207000       2.525000  
1 1 1 8  8  64  o 5.5340  1.8190 1.340000       3.638000  
1 1 1 8  8  65  o 7.2990  2.1390 -0.4058000E-01 4.278000  
1 1 1 8  8  66  o 18.210  1.5780 1.791000       3.155000  
1 1 1 8  8  67  o 5.9560  1.9240 -0.4887000     3.849000  
1 1 1 8  8  68  o 9.9170  2.2490 -2.558000      4.499000  
1 1 1 8  8  69  o 13.150  2.2240 3.025000       4.448000  
1 1 1 8  8  70  o 7.9690  2.4050 -0.1291000     4.810000  
1 1 1 8  8  71  o 7.9590  2.4300 -1.573000      4.860000  
1 1 1 8  8  72  o 8.8010  2.4690 2.070000       4.937000  
1 1 1 8  8  73  o 23.950  1.8000 -1.001000      3.601000  
1 1 1 8  8  74  o 7.0930  2.2700 0.6362000      4.540000  
1 1 1 8  8  75  o 7.5050  2.3430 1.898000       4.687000  
1 1 1 8  8  76  o 7.1260  2.3100 0.1765000      4.619000  
1 1 1 8  8  77  o 8.0490  2.5230 -0.7371000     5.046000  
1 1 1 8  8  78  o 9.6630  2.7600 -3.729000      5.519000  
1 1 1 8  8  79  o 6.6570  2.2160 -0.3629000     4.432000  
1 1 1 8  8  80  o 8.7250  2.6600 -2.134000      5.321000  
1 1 1 8  8  81  o 6.6950  2.2640 -1.101000      4.528000  
1 1 1 8  8  82  o 7.1140  2.2780 2.179000       4.555000  
1 1 1 8  8  83  o 6.2290  2.1210 0.1709000      4.242000  
1 1 1 8  8  84  o 6.1680  2.0830 -0.6357000     4.166000  
1 1 1 8  8  85  o 5.1620  1.7960 0.2713000      3.591000  
1 1 1 8  8  86  o 5.6470  1.9420 -0.9222000     3.885000  
1 1 1 8  8  87  o 5.3510  1.8710 0.2587000      3.743000  
1 1 1 8  8  88  o 6.9890  2.2930 -1.610000      4.586000  
1 1 1 8  8  89  o 5.3110  1.8510 0.4465000      3.702000  
1 1 1 8  8  90  f 5.0610  1.7710 -0.9703000E-01 3.542000  
1 1 1 8  8  91  o 4.3910  1.5690 0.7109000      3.138000  
1 1 1 8  8  92  o 5.0300  1.7430 -1.261000      3.486000  
1 1 1 8  8  93  o 4.2670  1.4910 0.3126000      2.983000  
1 1 1 8  8  94  o 3.9730  1.3920 0.2056000      2.783000  
1 1 1 8  9  0   f 34.020  0.6798 -0.000000      0.000000  
1 1 1 8  9  1   o 17.730  0.3175 1.147000       0.6350000 
1 1 1 8  9  2   o 32.790  0.4659 -0.4067000     0.9319000 
1 1 1 8  9  3   o 19.540  0.3373 -0.6421000E-01 0.6747000 
1 1 1 8  9  4   o 50.660  0.7050 -0.3823000     1.410000  
1 1 1 8  9  5   o 12.170  0.3666 -1.974000      0.7332000 
1 1 1 8  9  6   o 14.290  0.2785 0.8460000E-01  0.5571000 
1 1 1 8  9  7   o 44.820  0.6283 0.8199000      1.257000  
1 1 1 8  9  8   o 33.640  0.5210 -1.918000      1.042000  
1 1 1 8  9  9   o 20.650  0.3271 0.5352000      0.6542000 
1 1 1 8  9  10  o 20.130  0.3239 0.3110000      0.6478000 
1 1 1 8  9  11  o 19.420  0.3180 -0.4885000     0.6360000 
1 1 1 8  9  12  o 28.790  0.4214 -0.5929000     0.8428000 
1 1 1 8  9  13  o 27.670  0.4395 -0.4915000     0.8790000 
1 1 1 8  9  14  o 26.480  0.4282 -0.1791000     0.8564000 
1 1 1 8  9  15  o 27.760  0.4435 1.288000       0.8869000 
1 1 1 8  9  16  f 9.1030  0.4500 -0.1815000     0.9000000 
1 1 1 8  9  17  o 22.640  0.3864 -0.8290000     0.7729000 
1 1 1 8  9  18  o 8.5910  0.4844 -0.9114000     0.9688000 
1 1 1 8  9  19  o 29.000  0.4675 0.4869000E-01  0.9349000 
1 1 1 8  9  20  o 12.910  0.4987 0.4017000      0.9973000 
1 1 1 8  9  21  o 16.450  0.3860 -0.7657000     0.7720000 
1 1 1 8  9  22  o 30.250  0.5249 -0.7972000E-01 1.050000  
1 1 1 8  9  23  o 19.790  0.4145 0.5057000      0.8289000 
1 1 1 8  9  24  o 8.1880  0.7009 ?              ?         
1 1 1 8  9  25  o 13.760  0.4882 -1.243000      0.9765000 
1 1 1 8  9  26  o 17.560  0.4834 -0.1479000     0.9668000 
1 1 1 8  9  27  o 19.800  0.4798 -2.380000      0.9595000 
1 1 1 8  9  28  o 49.380  0.9036 -1.220000      1.807000  
1 1 1 8  9  29  o 35.420  0.6891 1.540000       1.378000  
1 1 1 8  9  30  o 7.6560  0.8484 6.331000       1.697000  
1 1 1 8  9  31  o 49.910  0.9177 -1.539000      1.835000  
1 1 1 8  9  32  o 40.040  0.7642 2.383000       1.528000  
1 1 1 8  9  33  o 31.950  0.7144 0.5353000      1.429000  
1 1 1 8  9  34  o 25.900  0.8408 1.168000       1.682000  
1 1 1 8  9  35  o 15.680  0.6907 -0.3638000     1.381000  
1 1 1 8  9  36  o 14.780  0.7332 -0.2869000     1.466000  
1 1 1 8  9  37  o 44.870  0.9325 -1.025000      1.865000  
1 1 1 8  9  38  o 49.010  1.0080 -0.2935000     2.015000  
1 1 1 8  9  39  o 41.150  0.8782 2.073000       1.756000  
1 1 1 8  9  40  o 13.000  0.9608 3.609000       1.922000  
1 1 1 8  9  41  o 29.210  0.7341 0.7224000      1.468000  
1 1 1 8  9  42  o 27.740  0.7250 -0.1419000     1.450000  
1 1 1 8  9  43  o 7.2530  1.3140 -5.191000      2.628000  
1 1 1 8  9  44  o 28.030  0.7509 -0.8033000     1.502000  
1 1 1 8  9  45  o 41.250  1.0760 -0.7542000     2.152000  
1 1 1 8  9  46  o 34.510  0.9648 -0.7493000     1.930000  
1 1 1 8  9  47  o 17.350  0.9811 -0.1846000     1.962000  
1 1 1 8  9  48  o 10.560  1.4790 -0.1549000     2.958000  
1 1 1 8  9  49  o 23.250  0.9300 -0.2651000     1.860000  
1 1 1 8  9  50  o 10.650  1.5770 1.993000       3.154000  
1 1 1 8  9  51  o 12.620  1.4150 0.9465000      2.829000  
1 1 1 8  9  52  o 35.760  1.0370 -1.858000      2.075000  
1 1 1 8  9  53  o 19.310  1.0780 -2.661000      2.156000  
1 1 1 8  9  54  o 15.920  1.3260 -4.285000      2.651000  
1 1 1 8  9  55  o 18.870  1.1800 2.948000       2.360000  
1 1 1 8  9  56  o 18.830  1.2090 -2.804000      2.419000  
1 1 1 8  9  57  o 6.6520  1.8560 -1.936000      3.713000  
1 1 1 8  9  58  o 35.050  1.1090 -1.896000      2.219000  
1 1 1 8  9  59  o 17.980  1.3340 -4.404000      2.669000  
1 1 1 8  9  60  o 7.4120  2.8100 ?              ?         
1 1 1 8  9  61  o 7.1360  1.9850 2.696000       3.970000  
1 1 1 8  9  62  o 12.910  1.9160 -2.082000      3.831000  
1 1 1 8  9  63  o 13.120  1.9570 -3.157000      3.913000  
1 1 1 8  9  64  o 9.2970  2.0500 -4.115000      4.100000  
1 1 1 8  9  65  o 7.3130  2.1290 0.6493000      4.258000  
1 1 1 8  9  66  o 16.150  1.8290 -0.1093000     3.658000  
1 1 1 8  9  67  o 18.710  1.6250 0.4370000      3.251000  
1 1 1 8  9  68  o 8.4370  2.2930 1.210000       4.585000  
1 1 1 8  9  69  f 8.1500  2.2020 2.860000       4.405000  
1 1 1 8  9  70  o 8.6300  2.2900 0.6483000      4.580000  
1 1 1 8  9  71  o 8.7780  2.2700 4.410000       4.540000  
1 1 1 8  9  72  o 6.7030  2.0640 -1.654000      4.129000  
1 1 1 8  9  73  o 9.4640  2.4620 0.1002000      4.923000  
1 1 1 8  9  74  o 7.3210  2.2340 -0.1466000     4.469000  
1 1 1 8  9  75  o 6.4140  2.1540 -2.537000      4.307000  
1 1 1 8  9  76  o 7.1920  2.3220 -0.8411000     4.645000  
1 1 1 8  9  77  o 6.0700  2.0560 -0.7914000     4.113000  
1 1 1 8  9  78  o 11.860  2.7810 1.730000       5.562000  
1 1 1 8  9  79  o 7.2990  2.2880 2.328000       4.576000  
1 1 1 8  9  80  o 6.0750  2.0860 -0.7218000     4.172000  
1 1 1 8  9  81  o 7.6020  2.4390 -0.1235000     4.878000  
1 1 1 8  9  82  o 6.4060  2.1640 -0.6592000     4.329000  
1 1 1 8  9  83  o 5.1880  1.8150 -0.2863000     3.630000  
1 1 1 8  9  84  o 6.2440  2.0900 -1.631000      4.180000  
1 1 1 8  9  85  o 5.0660  1.7740 -0.2955000     3.548000  
1 1 1 8  9  86  o 6.6830  2.2240 -2.511000      4.449000  
1 1 1 8  9  87  o 6.5490  2.1870 -0.6914000     4.373000  
1 1 1 8  9  88  o 4.9030  1.7320 -0.2531000     3.463000  
1 1 1 8  9  89  o 5.4320  1.8720 1.206000       3.743000  
1 1 1 8  9  90  o 5.7840  1.9730 1.061000       3.946000  
1 1 1 8  9  91  o 4.9770  1.7390 -0.9823000     3.477000  
1 1 1 8  9  92  o 4.3200  1.5080 0.2218000      3.017000  
1 1 1 8  9  93  o 4.6860  1.5950 0.4227000      3.190000  
1 1 1 8  10 0   o 20.270  0.4534 -0.000000      0.000000  
1 1 1 8  10 1   o 20.040  0.3458 -0.1197000E-01 0.6917000 
1 1 1 8  10 2   f 32.580  0.5038 1.020000       1.008000  
1 1 1 8  10 3   o 42.180  0.5899 0.1359000      1.180000  
1 1 1 8  10 4   o 22.320  0.3959 -0.2832000E-01 0.7917000 
1 1 1 8  10 5   o 33.440  0.4762 0.4838000      0.9524000 
1 1 1 8  10 6   o 32.090  0.4598 0.1201000      0.9197000 
1 1 1 8  10 7   o 21.710  0.3918 -0.1724000     0.7837000 
1 1 1 8  10 8   o 18.590  0.3121 -0.6184000     0.6241000 
1 1 1 8  10 9   f 26.940  0.3978 0.1378000      0.7957000 
1 1 1 8  10 10  o 29.630  0.4318 -0.2817000     0.8637000 
1 1 1 8  10 11  o 14.640  0.3540 -0.2976000     0.7081000 
1 1 1 8  10 12  o 32.370  0.5021 0.8502000E-01  1.004000  
1 1 1 8  10 13  o 23.350  0.4211 -2.030000      0.8422000 
1 1 1 8  10 14  o 32.730  0.4747 0.1197000E-01  0.9494000 
1 1 1 8  10 15  o 45.130  0.6847 -0.4869000     1.369000  
1 1 1 8  10 16  o 24.940  0.4985 1.011000       0.9969000 
1 1 1 8  10 17  o 41.140  0.6294 0.4458000E-01  1.259000  
1 1 1 8  10 18  o 44.830  0.6822 0.4482000      1.364000  
1 1 1 8  10 19  f 37.270  0.5764 0.2960000      1.153000  
1 1 1 8  10 20  f 17.720  0.4397 0.3937000E-01  0.8795000 
1 1 1 8  10 21  o 14.980  0.4021 -0.4701000     0.8041000 
1 1 1 8  10 22  o 38.020  0.6335 -0.3876000     1.267000  
1 1 1 8  10 23  o 52.120  0.8468 -1.541000      1.694000  
1 1 1 8  10 24  o 33.180  0.6409 -0.2876000     1.282000  
1 1 1 8  10 25  o 30.590  0.5356 0.5996000      1.071000  
1 1 1 8  10 26  o 50.770  0.8275 -0.4051000     1.655000  
1 1 1 8  10 27  o 32.590  0.6432 -3.211000      1.286000  
1 1 1 8  10 28  o 37.220  0.7111 1.171000       1.422000  
1 1 1 8  10 29  o 34.720  0.6816 -0.4779000     1.363000  
1 1 1 8  10 30  o 81.140  1.4630 -3.027000      2.926000  
1 1 1 8  10 31  o 15.910  0.7843 ?              ?         
1 1 1 8  10 32  o 76.200  1.3760 -1.390000      2.753000  
1 1 1 8  10 33  o 60.030  1.0970 1.859000       2.195000  
1 1 1 8  10 34  o 23.140  0.6979 ?              ?         
1 1 1 8  10 35  f 45.120  0.8435 -1.510000      1.687000  
1 1 1 8  10 36  o 33.090  0.7552 3.000000       1.510000  
1 1 1 8  10 37  o 15.670  0.7336 -1.242000      1.467000  
1 1 1 8  10 38  o 23.790  0.6795 -0.8820000     1.359000  
1 1 1 8  10 39  o 35.970  0.8018 -0.8719000     1.604000  
1 1 1 8  10 40  o 45.940  0.9630 -0.6117000E-01 1.926000  
1 1 1 8  10 41  o 16.500  0.7899 0.4884000      1.580000  
1 1 1 8  10 42  o 10.760  1.1580 1.651000       2.315000  
1 1 1 8  10 43  o 9.4450  1.2710 -2.725000      2.542000  
1 1 1 8  10 44  o 24.690  0.7561 -1.083000      1.512000  
1 1 1 8  10 45  o 58.950  1.2090 0.7147000      2.417000  
1 1 1 8  10 46  o 16.770  0.9042 0.9372000      1.808000  
1 1 1 8  10 47  o 15.250  1.0040 0.9843000      2.009000  
1 1 1 8  10 48  o 29.540  0.8102 0.7615000      1.620000  
1 1 1 8  10 49  o 14.190  1.1100 0.8467000      2.220000  
1 1 1 8  10 50  o 34.320  0.8636 -0.2788000     1.727000  
1 1 1 8  10 51  o 17.110  1.1290 3.069000       2.258000  
1 1 1 8  10 52  o 6.3940  1.7600 -1.921000      3.519000  
1 1 1 8  10 53  o 18.940  1.1310 0.9814000      2.262000  
1 1 1 8  10 54  o 16.600  1.2810 -1.201000      2.562000  
1 1 1 8  10 55  o 17.580  1.2400 -1.301000      2.481000  
1 1 1 8  10 56  o 7.0980  1.9390 0.3597000      3.878000  
1 1 1 8  10 57  o 20.170  1.1650 0.4095000      2.330000  
1 1 1 8  10 58  o 12.740  1.7420 2.638000       3.483000  
1 1 1 8  10 59  o 12.020  1.8660 -0.1220000     3.732000  
1 1 1 8  10 60  o 20.470  1.2550 -3.486000      2.510000  
1 1 1 8  10 61  o 14.910  1.7880 -4.715000      3.577000  
1 1 1 8  10 62  o 13.530  1.8980 -0.8728000     3.796000  
1 1 1 8  10 63  o 35.310  1.2000 0.6746000      2.400000  
1 1 1 8  10 64  o 23.060  1.3060 -2.603000      2.613000  
1 1 1 8  10 65  o 5.2800  1.7640 0.2280000      3.527000  
1 1 1 8  10 66  o 21.670  1.7970 ?              ?         
1 1 1 8  10 67  o 6.3050  1.9960 1.615000       3.993000  
1 1 1 8  10 68  o 7.8650  2.1830 0.1447000      4.366000  
1 1 1 8  10 69  o 8.7440  2.2500 1.756000       4.500000  
1 1 1 8  10 70  o 8.9220  2.2950 0.1755000      4.590000  
1 1 1 8  10 71  o 10.810  2.2760 -2.668000      4.553000  
1 1 1 8  10 72  o 6.6810  2.0840 -1.447000      4.168000  
1 1 1 8  10 73  o 7.7460  2.2170 -2.642000      4.433000  
1 1 1 8  10 74  o 9.2410  2.2710 4.643000       4.542000  
1 1 1 8  10 75  f 10.490  2.3260 -3.638000      4.651000  
1 1 1 8  10 76  o 6.5410  2.0750 1.001000       4.150000  
1 1 1 8  10 77  o 5.2400  1.7910 0.1156000      3.583000  
1 1 1 8  10 78  o 6.2630  2.0460 0.4188000      4.091000  
1 1 1 8  10 79  o 5.8210  2.0210 -1.031000      4.041000  
1 1 1 8  10 80  o 6.6470  2.2410 -1.120000      4.482000  
1 1 1 8  10 81  o 6.5070  2.1800 0.1222000      4.360000  
1 1 1 8  10 82  o 6.1840  2.0740 1.276000       4.149000  
1 1 1 8  10 83  o 5.2770  1.8510 -1.386000      3.701000  
1 1 1 8  10 84  o 6.5590  2.1810 -1.356000      4.362000  
1 1 1 8  10 85  o 5.2650  1.8490 0.3497000      3.699000  
1 1 1 8  10 86  o 5.6010  1.9380 1.202000       3.877000  
1 1 1 8  10 87  o 6.0690  2.0730 0.2822000      4.147000  
1 1 1 8  10 88  o 5.2500  1.8310 0.3089000      3.663000  
1 1 1 8  10 89  o 5.0830  1.7830 0.7175000      3.565000  
1 1 1 8  10 90  f 5.2870  1.8290 -0.5193000     3.658000  
1 1 1 8  10 91  o 3.8510  1.3750 0.2988000      2.749000  
1 1 1 8  10 92  o 4.8580  1.6490 -0.1954000E-01 3.298000  
1 1 1 8  11 0   o 20.860  0.4704 -0.000000      0.000000  
1 1 1 8  11 1   o 18.920  0.3136 -0.2480000     0.6271000 
1 1 1 8  11 2   o 28.950  0.4204 -0.1607000     0.8407000 
1 1 1 8  11 3   o 12.050  0.3895 1.312000       0.7790000 
1 1 1 8  11 4   o 3.9100  0.6902 -0.4830000     1.380000  
1 1 1 8  11 5   o 10.330  0.3187 0.4593000      0.6374000 
1 1 1 8  11 6   o 20.800  0.3339 0.7174000      0.6677000 
1 1 1 8  11 7   f 17.820  0.3490 1.563000       0.6980000 
1 1 1 8  11 8   o 37.570  0.5320 0.9284000      1.064000  
1 1 1 8  11 9   o 26.400  0.4286 -0.2541000     0.8571000 
1 1 1 8  11 10  o 10.170  0.4006 -0.6157000     0.8012000 
1 1 1 8  11 11  o 36.100  0.5163 0.6461000      1.033000  
1 1 1 8  11 12  o 22.670  0.4207 -0.2797000     0.8415000 
1 1 1 8  11 13  o 53.360  0.7465 -0.1056000     1.493000  
1 1 1 8  11 14  o 15.260  0.4234 -2.645000      0.8468000 
1 1 1 8  11 15  o 23.880  0.3785 0.2578000      0.7570000 
1 1 1 8  11 16  o 52.390  0.7899 -0.8698000E-02 1.580000  
1 1 1 8  11 17  o 33.990  0.6428 -2.139000      1.286000  
1 1 1 8  11 18  o 54.690  0.8270 0.8138000      1.654000  
1 1 1 8  11 19  o 69.230  1.0380 1.869000       2.076000  
1 1 1 8  11 20  o 47.690  0.8733 -1.889000      1.747000  
1 1 1 8  11 21  o 47.950  0.7289 1.214000       1.458000  
1 1 1 8  11 22  o 40.990  0.6352 0.1536000      1.270000  
1 1 1 8  11 23  o 43.680  0.7190 -0.5948000     1.438000  
1 1 1 8  11 24  o 13.320  0.5715 2.348000       1.143000  
1 1 1 8  11 25  o 59.470  0.9676 -0.8343000     1.935000  
1 1 1 8  11 26  o 27.100  0.6316 0.2945000      1.263000  
1 1 1 8  11 27  o 16.450  0.5524 -1.744000      1.105000  
1 1 1 8  11 28  o 18.780  0.4476 -0.4249000     0.8952000 
1 1 1 8  11 29  o 31.080  0.5579 -0.1413000     1.116000  
1 1 1 8  11 30  o 37.920  0.6467 -0.6155000     1.293000  
1 1 1 8  11 31  f 41.280  0.7785 -0.7006000     1.557000  
1 1 1 8  11 32  o 50.570  1.0190 -0.4523000     2.037000  
1 1 1 8  11 33  o 8.8110  1.0150 ?              ?         
1 1 1 8  11 34  o 40.370  0.7747 0.2084000E-01  1.549000  
1 1 1 8  11 35  o 28.720  0.6202 0.4059000      1.240000  
1 1 1 8  11 36  o 25.330  0.6021 0.3161000      1.204000  
1 1 1 8  11 37  o 53.690  0.9922 -2.231000      1.984000  
1 1 1 8  11 38  o 28.090  0.6423 -0.2915000     1.285000  
1 1 1 8  11 39  o 15.060  0.6566 0.2179000      1.313000  
1 1 1 8  11 40  o 8.2660  1.3470 -1.199000      2.694000  
1 1 1 8  11 41  o 23.370  0.7399 -0.7468000     1.480000  
1 1 1 8  11 42  o 37.890  0.8568 1.698000       1.714000  
1 1 1 8  11 43  o 35.280  0.8241 -0.4810000     1.648000  
1 1 1 8  11 44  o 6.0090  1.5470 1.519000       3.094000  
1 1 1 8  11 45  f 15.870  0.9204 -1.570000      1.841000  
1 1 1 8  11 46  o 27.950  0.7980 1.546000       1.596000  
1 1 1 8  11 47  o 43.710  0.9654 -0.3814000     1.931000  
1 1 1 8  11 48  o 15.390  1.0380 -2.486000      2.077000  
1 1 1 8  11 49  o 17.310  1.0230 1.398000       2.046000  
1 1 1 8  11 50  o 8.8960  1.6400 -3.780000      3.279000  
1 1 1 8  11 51  o 16.320  1.0750 0.1009000      2.150000  
1 1 1 8  11 52  o 11.200  1.5720 0.3274000      3.145000  
1 1 1 8  11 53  o 6.7120  1.7750 0.9535000E-01  3.550000  
1 1 1 8  11 54  o 14.380  1.3200 -0.5950000     2.641000  
1 1 1 8  11 55  o 17.010  1.1590 3.235000       2.318000  
1 1 1 8  11 56  o 18.880  1.2140 1.344000       2.428000  
1 1 1 8  11 57  o 19.130  1.2430 0.3058000      2.485000  
1 1 1 8  11 58  o 15.590  1.5560 3.521000       3.113000  
1 1 1 8  11 59  o 20.390  1.2350 0.6421000      2.469000  
1 1 1 8  11 60  o 13.720  1.7680 -2.601000      3.537000  
1 1 1 8  11 61  o 6.5270  1.9460 -1.196000      3.891000  
1 1 1 8  11 62  o 30.590  1.1570 -3.082000      2.314000  
1 1 1 8  11 63  o 6.9290  2.0450 -1.184000      4.090000  
1 1 1 8  11 64  o 20.910  1.3310 -0.6330000     2.661000  
1 1 1 8  11 65  o 7.3090  2.0820 -0.6459000     4.164000  
1 1 1 8  11 66  f 5.7640  1.8530 1.365000       3.707000  
1 1 1 8  11 67  o 7.6330  2.1060 -2.187000      4.212000  
1 1 1 8  11 68  o 7.7400  2.1320 1.160000       4.265000  
1 1 1 8  11 69  o 11.700  2.1540 -0.5073000     4.308000  
1 1 1 8  11 70  o 6.1810  1.9660 1.138000       3.931000  
1 1 1 8  11 71  o 5.9900  1.9350 0.4674000E-01  3.870000  
1 1 1 8  11 72  o 6.8340  2.0650 -0.2256000     4.130000  
1 1 1 8  11 73  o 6.4390  2.8570 ?              ?         
1 1 1 8  11 74  o 8.9510  2.3410 0.9573000      4.682000  
1 1 1 8  11 75  o 5.5060  1.8260 0.2718000      3.653000  
1 1 1 8  11 76  o 7.5440  2.1880 2.823000       4.377000  
1 1 1 8  11 77  o 5.9040  1.9400 -0.3671000     3.880000  
1 1 1 8  11 78  o 5.8830  1.9490 -0.4479000     3.899000  
1 1 1 8  11 79  o 6.5880  2.0810 1.478000       4.162000  
1 1 1 8  11 80  o 6.3760  2.0490 1.481000       4.098000  
1 1 1 8  11 81  o 6.0710  1.9760 -1.146000      3.952000  
1 1 1 8  11 82  o 7.0820  2.1490 -0.4161000     4.298000  
1 1 1 8  11 83  f 5.5900  1.8670 -0.9373000     3.733000  
1 1 1 8  11 84  o 5.6750  1.9460 0.6465000      3.892000  
1 1 1 8  11 85  o 6.4400  2.1720 -0.4247000     4.343000  
1 1 1 8  11 86  o 5.3390  1.8790 -1.315000      3.759000  
1 1 1 8  11 87  o 5.2720  1.8410 -1.269000      3.682000  
1 1 1 8  11 88  o 5.9830  1.9920 1.371000       3.984000  
1 1 1 8  11 89  f 5.0540  1.7450 -0.3252000     3.490000  
1 1 1 8  11 90  o 3.9610  1.4010 0.6104000E-01  2.802000  
1 1 1 8  11 91  f 4.1870  1.4610 0.4813000      2.922000  
1 1 1 8  12 0   o 44.110  0.8729 -0.000000      0.000000  
1 1 1 8  12 1   o 24.640  0.4333 -0.4212000     0.8665000 
1 1 1 8  12 2   o 10.920  0.3575 -0.5523000     0.7149000 
1 1 1 8  12 3   o 19.690  0.3805 -1.450000      0.7610000 
1 1 1 8  12 4   o 59.940  0.8327 0.5305000      1.665000  
1 1 1 8  12 5   o 13.550  0.4690 -3.811000      0.9379000 
1 1 1 8  12 6   o 55.700  0.7755 0.4945000      1.551000  
1 1 1 8  12 7   o 19.210  0.3837 -0.4379000     0.7674000 
1 1 1 8  12 8   o 11.830  0.3865 0.6832000      0.7730000 
1 1 1 8  12 9   o 27.350  0.4447 0.7579000      0.8895000 
1 1 1 8  12 10  o 36.760  0.5239 0.5030000      1.048000  
1 1 1 8  12 11  o 17.490  0.3853 -0.9011000     0.7707000 
1 1 1 8  12 12  o 14.270  0.3494 -1.919000      0.6989000 
1 1 1 8  12 13  o 41.870  0.5938 0.9565000E-01  1.188000  
1 1 1 8  12 14  o 17.700  0.4004 1.183000       0.8009000 
1 1 1 8  12 15  o 45.190  0.6373 0.7249000      1.275000  
1 1 1 8  12 16  o 29.930  0.4510 0.8521000E-01  0.9021000 
1 1 1 8  12 17  o 42.030  0.5980 0.6772000      1.196000  
1 1 1 8  12 18  o 28.590  0.5659 1.080000       1.132000  
1 1 1 8  12 19  o 27.220  0.4537 0.3448000      0.9074000 
1 1 1 8  12 20  o 14.490  0.4768 0.6213000      0.9535000 
1 1 1 8  12 21  o 25.630  0.4461 -1.173000      0.8923000 
1 1 1 8  12 22  o 50.970  0.8331 2.193000       1.666000  
1 1 1 8  12 23  f 20.750  0.5156 0.4275000      1.031000  
1 1 1 8  12 24  o 31.210  0.5120 -0.3380000     1.024000  
1 1 1 8  12 25  o 48.580  0.7965 -1.448000      1.593000  
1 1 1 8  12 26  o 44.320  0.7354 0.2880000      1.471000  
1 1 1 8  12 27  o 49.090  0.8083 0.5061000E-01  1.617000  
1 1 1 8  12 28  o 77.320  1.2480 -1.837000      2.496000  
1 1 1 8  12 29  o 28.780  0.6673 -0.1270000     1.335000  
1 1 1 8  12 30  o 42.360  0.7108 -0.8027000     1.422000  
1 1 1 8  12 31  o 7.3610  1.0330 2.317000       2.066000  
1 1 1 8  12 32  o 43.110  0.7268 -1.338000      1.454000  
1 1 1 8  12 33  o 34.090  0.6024 -0.6854000     1.205000  
1 1 1 8  12 34  o 18.960  0.5014 0.7209000      1.003000  
1 1 1 8  12 35  o 19.880  0.5790 -0.6397000     1.158000  
1 1 1 8  12 36  o 17.700  0.5984 2.681000       1.197000  
1 1 1 8  12 37  o 36.970  0.8008 -3.145000      1.602000  
1 1 1 8  12 38  o 26.910  0.6309 3.367000       1.262000  
1 1 1 8  12 39  o 13.530  0.7076 2.076000       1.415000  
1 1 1 8  12 40  o 25.560  0.6354 -1.142000      1.271000  
1 1 1 8  12 41  o 23.540  0.6491 1.279000       1.298000  
1 1 1 8  12 42  o 6.2040  1.0970 -4.271000      2.194000  
1 1 1 8  12 43  o 15.950  0.7108 2.530000       1.422000  
1 1 1 8  12 44  o 29.590  0.7870 -1.945000      1.574000  
1 1 1 8  12 45  o 32.260  0.8148 1.430000       1.630000  
1 1 1 8  12 46  o 15.390  0.9953 1.524000       1.991000  
1 1 1 8  12 47  o 32.040  0.8283 -1.524000      1.657000  
1 1 1 8  12 48  o 21.000  0.8749 1.982000       1.750000  
1 1 1 8  12 49  o 33.460  0.8641 -0.1555000E-01 1.728000  
1 1 1 8  12 50  o 17.490  1.0120 1.906000       2.024000  
1 1 1 8  12 51  o 6.9950  1.7190 -3.955000      3.438000  
1 1 1 8  12 52  o 22.440  0.9490 0.9138000      1.898000  
1 1 1 8  12 53  o 30.990  0.8869 1.120000       1.774000  
1 1 1 8  12 54  o 7.6850  1.9050 -1.577000      3.810000  
1 1 1 8  12 55  o 13.350  1.4660 0.2777000      2.932000  
1 1 1 8  12 56  o 10.770  1.6780 4.067000       3.356000  
1 1 1 8  12 57  o 10.960  1.7890 -4.001000      3.577000  
1 1 1 8  12 58  o 18.930  1.1140 1.721000       2.229000  
1 1 1 8  12 59  o 14.200  1.5110 1.578000       3.021000  
1 1 1 8  12 60  o 18.470  1.1780 -1.718000      2.357000  
1 1 1 8  12 61  o 11.760  1.9760 3.613000       3.951000  
1 1 1 8  12 62  o 10.310  2.0500 -3.919000      4.101000  
1 1 1 8  12 63  o 9.8780  2.1020 3.315000       4.203000  
1 1 1 8  12 64  o 10.840  2.0250 -5.531000      4.049000  
1 1 1 8  12 65  o 10.230  2.0990 -2.536000      4.198000  
1 1 1 8  12 66  o 14.140  1.8660 -1.457000      3.733000  
1 1 1 8  12 67  o 10.070  2.2420 1.600000       4.484000  
1 1 1 8  12 68  o 12.780  2.0970 0.9126000E-01  4.193000  
1 1 1 8  12 69  o 7.9610  2.2270 -1.374000      4.454000  
1 1 1 8  12 70  o 6.2720  1.9660 -1.435000      3.933000  
1 1 1 8  12 71  o 7.4980  2.1170 2.652000       4.233000  
1 1 1 8  12 72  o 6.8120  2.0180 2.987000       4.036000  
1 1 1 8  12 73  o 6.2820  2.0180 -0.3060000     4.036000  
1 1 1 8  12 74  o 5.8200  1.9110 0.3342000      3.822000  
1 1 1 8  12 75  o 6.4500  2.0490 -1.266000      4.098000  
1 1 1 8  12 76  o 5.0850  1.7510 -0.5085000     3.502000  
1 1 1 8  12 77  o 6.7750  2.1040 0.9939000E-01  4.208000  
1 1 1 8  12 78  o 6.0620  1.9570 -0.5546000     3.914000  
1 1 1 8  12 79  o 5.6780  1.8660 1.068000       3.732000  
1 1 1 8  12 80  o 6.5740  1.9490 -3.866000      3.899000  
1 1 1 8  12 81  o 6.5890  2.8900 ?              ?         
1 1 1 8  12 82  o 4.9860  1.7190 0.6500000      3.439000  
1 1 1 8  12 83  o 5.8320  1.9200 0.1880000      3.841000  
1 1 1 8  12 84  o 8.2250  2.3320 -0.8443000     4.664000  
1 1 1 8  12 85  o 5.7040  1.8840 -1.341000      3.769000  
1 1 1 8  12 86  o 5.2890  1.7610 0.4523000E-01  3.521000  
1 1 1 8  12 87  o 4.6870  1.6170 0.5662000      3.235000  
1 1 1 8  12 88  o 3.9030  1.3910 0.4364000      2.783000  
1 1 1 8  12 89  o 4.8740  1.6590 -1.010000      3.318000  
1 1 1 8  12 90  o 3.7830  1.9120 ?              ?         
1 1 1 8  13 0   o 11.040  0.6993 0.000000       0.000000  
1 1 1 8  13 1   o 43.520  0.6116 0.1510000      1.223000  
1 1 1 8  13 2   o 44.490  0.6259 0.9123000      1.252000  
1 1 1 8  13 3   o 24.660  0.4088 1.046000       0.8175000 
1 1 1 8  13 4   o 15.300  0.4196 1.436000       0.8392000 
1 1 1 8  13 5   o 17.030  0.4178 1.441000       0.8356000 
1 1 1 8  13 6   f 44.390  0.6261 1.843000       1.252000  
1 1 1 8  13 7   o 22.360  0.4225 -1.231000      0.8450000 
1 1 1 8  13 8   o 22.880  0.4248 -2.045000      0.8495000 
1 1 1 8  13 9   o 63.790  0.8902 1.024000       1.780000  
1 1 1 8  13 10  f 52.460  0.8487 0.9406000      1.697000  
1 1 1 8  13 11  o 29.940  0.4474 1.032000       0.8947000 
1 1 1 8  13 12  o 18.850  0.3907 0.7086000      0.7815000 
1 1 1 8  13 13  o 16.790  0.4375 -1.452000      0.8751000 
1 1 1 8  13 14  o 49.820  0.7003 1.037000       1.401000  
1 1 1 8  13 15  o 36.870  0.5347 -1.194000      1.069000  
1 1 1 8  13 16  o 46.400  0.6559 0.3355000      1.312000  
1 1 1 8  13 17  o 50.580  0.7111 -0.3649000     1.422000  
1 1 1 8  13 18  o 51.540  0.7245 1.267000       1.449000  
1 1 1 8  13 19  o 75.600  1.1330 -1.709000      2.266000  
1 1 1 8  13 20  o 41.610  0.7747 -0.6532000     1.549000  
1 1 1 8  13 21  o 74.050  1.1140 0.3058000E-01  2.229000  
1 1 1 8  13 22  f 36.210  0.6894 0.9580000E-01  1.379000  
1 1 1 8  13 23  o 39.340  0.6149 -0.9734000E-01 1.230000  
1 1 1 8  13 24  o 18.560  0.5049 -0.9592000     1.010000  
1 1 1 8  13 25  o 27.200  0.4773 0.1876000      0.9547000 
1 1 1 8  13 26  o 68.050  1.1020 -0.9688000     2.204000  
1 1 1 8  13 27  o 31.500  0.9742 ?              ?         
1 1 1 8  13 28  o 25.230  0.4980 -0.7445000     0.9959000 
1 1 1 8  13 29  o 16.430  0.5505 2.484000       1.101000  
1 1 1 8  13 30  o 22.210  0.4797 -0.8488000     0.9594000 
1 1 1 8  13 31  o 26.110  0.5166 -0.1153000     1.033000  
1 1 1 8  13 32  o 32.440  0.5870 0.9768000E-01  1.174000  
1 1 1 8  13 33  o 18.380  0.5002 1.072000       1.000000  
1 1 1 8  13 34  o 15.110  0.5288 0.2339000      1.058000  
1 1 1 8  13 35  o 8.3840  0.7888 0.2863000      1.578000  
1 1 1 8  13 36  o 26.020  0.5370 -0.9433000     1.074000  
1 1 1 8  13 37  o 13.150  0.7245 -2.345000      1.449000  
1 1 1 8  13 38  o 24.450  0.6281 0.3558000      1.256000  
1 1 1 8  13 39  o 11.040  0.8542 1.011000       1.708000  
1 1 1 8  13 40  o 16.980  0.6539 1.720000       1.308000  
1 1 1 8  13 41  o 23.380  0.6442 -1.867000      1.288000  
1 1 1 8  13 42  o 10.550  0.9610 3.207000       1.922000  
1 1 1 8  13 43  o 15.320  0.7672 -1.207000      1.534000  
1 1 1 8  13 44  o 13.420  0.8738 -0.1554000     1.748000  
1 1 1 8  13 45  o 20.040  0.7335 -3.648000      1.467000  
1 1 1 8  13 46  o 9.4020  1.2530 4.571000       2.506000  
1 1 1 8  13 47  o 24.020  0.7252 0.6290000E-01  1.450000  
1 1 1 8  13 48  o 26.500  0.8335 -2.466000      1.667000  
1 1 1 8  13 49  o 26.420  0.8726 1.629000       1.745000  
1 1 1 8  13 50  o 16.730  1.0780 -0.2684000E-01 2.156000  
1 1 1 8  13 51  f 29.110  0.8834 0.3747000      1.767000  
1 1 1 8  13 52  o 27.650  0.8900 0.3007000      1.780000  
1 1 1 8  13 53  o 15.060  1.2940 0.7968000      2.588000  
1 1 1 8  13 54  f 18.550  1.1230 1.983000       2.245000  
1 1 1 8  13 55  o 13.460  1.4900 0.1656000      2.981000  
1 1 1 8  13 56  o 18.760  1.1200 0.7650000      2.240000  
1 1 1 8  13 57  o 8.9640  1.9510 -0.6024000     3.902000  
1 1 1 8  13 58  o 8.3490  1.7700 -5.583000      3.540000  
1 1 1 8  13 59  o 8.0610  2.0010 -1.682000      4.001000  
1 1 1 8  13 60  o 10.990  1.8910 2.621000       3.782000  
1 1 1 8  13 61  o 17.260  1.3060 2.684000       2.612000  
1 1 1 8  13 62  o 11.740  1.8690 -3.540000      3.738000  
1 1 1 8  13 63  o 7.6210  1.9950 -1.144000      3.990000  
1 1 1 8  13 64  o 5.7450  1.8270 -0.2602000     3.655000  
1 1 1 8  13 65  o 17.140  1.4990 -6.810000      2.999000  
1 1 1 8  13 66  f 12.300  2.0810 -0.1946000     4.162000  
1 1 1 8  13 67  o 9.0270  2.2590 1.285000       4.518000  
1 1 1 8  13 68  o 6.1660  1.9070 -3.009000      3.815000  
1 1 1 8  13 69  o 6.7950  2.0600 -0.9383000     4.120000  
1 1 1 8  13 70  o 8.8550  2.2530 -1.477000      4.506000  
1 1 1 8  13 71  o 6.9320  2.0780 -0.4478000     4.156000  
1 1 1 8  13 72  o 7.0280  2.1130 0.1439000      4.226000  
1 1 1 8  13 73  o 5.9110  1.9280 -0.9727000     3.855000  
1 1 1 8  13 74  o 6.0620  1.9410 -1.796000      3.882000  
1 1 1 8  13 75  o 6.1380  1.9800 -0.6821000     3.959000  
1 1 1 8  13 76  f 6.3400  2.0200 1.966000       4.041000  
1 1 1 8  13 77  o 6.7740  2.0770 -0.4034000     4.154000  
1 1 1 8  13 78  o 5.6230  1.8450 -1.387000      3.690000  
1 1 1 8  13 79  o 7.7780  2.2080 3.253000       4.416000  
1 1 1 8  13 80  o 4.8510  1.6850 0.3708000      3.370000  
1 1 1 8  13 81  o 5.5910  1.8650 0.2939000      3.730000  
1 1 1 8  13 82  o 6.3610  2.0350 1.790000       4.070000  
1 1 1 8  13 83  o 4.8290  1.6730 -0.1564000     3.346000  
1 1 1 8  13 84  o 4.9940  1.7020 -0.3814000     3.404000  
1 1 1 8  13 85  o 4.5100  1.5520 -0.4736000E-02 3.105000  
1 1 1 8  13 86  o 4.9280  1.6600 -0.3489000     3.321000  
1 1 1 8  13 87  o 4.1080  1.4140 -0.5467000     2.828000  
1 1 1 8  13 88  f 3.7800  1.3550 -0.7345000     2.710000  
1 1 1 8  14 0   f 54.950  1.0840 0.000000       0.000000  
1 1 1 8  14 1   o 27.650  0.5949 6.206000       1.190000  
1 1 1 8  14 2   o 46.090  0.6470 -0.3773000     1.294000  
1 1 1 8  14 3   o 31.680  0.5360 1.016000       1.072000  
1 1 1 8  14 4   o 36.860  0.5290 1.902000       1.058000  
1 1 1 8  14 5   o 44.540  0.6269 -0.7836000     1.254000  
1 1 1 8  14 6   o 36.220  0.6017 -0.2673000     1.203000  
1 1 1 8  14 7   o 13.970  0.4653 -0.8549000     0.9306000 
1 1 1 8  14 8   o 11.480  0.3705 0.1020000      0.7409000 
1 1 1 8  14 9   o 10.900  0.5142 -1.825000      1.028000  
1 1 1 8  14 10  o 34.380  0.5399 -0.1390000     1.080000  
1 1 1 8  14 11  o 13.790  0.4222 0.3256000      0.8444000 
1 1 1 8  14 12  o 30.720  0.5289 -1.888000      1.058000  
1 1 1 8  14 13  f 60.960  0.9183 -0.3390000     1.837000  
1 1 1 8  14 14  o 92.020  1.2750 0.8858000      2.549000  
1 1 1 8  14 15  o 34.190  1.0240 ?              ?         
1 1 1 8  14 16  o 12.280  0.4568 0.4283000      0.9135000 
1 1 1 8  14 17  o 45.260  0.6417 -0.2654000     1.283000  
1 1 1 8  14 18  o 57.220  0.8015 -0.3202000     1.603000  
1 1 1 8  14 19  o 49.620  0.7027 -0.4719000     1.405000  
1 1 1 8  14 20  o 48.060  0.6805 0.8192000      1.361000  
1 1 1 8  14 21  o 26.490  0.5599 0.6551000      1.120000  
1 1 1 8  14 22  o 40.690  0.6377 -0.7129000E-01 1.275000  
1 1 1 8  14 23  o 43.730  0.6798 0.7587000      1.360000  
1 1 1 8  14 24  o 53.530  0.8160 -0.6938000     1.632000  
1 1 1 8  14 25  o 23.220  0.5471 -0.9997000     1.094000  
1 1 1 8  14 26  o 51.520  0.7897 0.5801000      1.579000  
1 1 1 8  14 27  o 21.350  0.5429 -2.875000      1.086000  
1 1 1 8  14 28  o 33.650  0.5982 -0.4763000     1.196000  
1 1 1 8  14 29  o 24.860  0.5080 0.6611000      1.016000  
1 1 1 8  14 30  o 5.5780  0.9324 4.694000       1.865000  
1 1 1 8  14 31  o 40.740  0.7861 0.2621000      1.572000  
1 1 1 8  14 32  o 21.190  0.6416 0.6482000      1.283000  
1 1 1 8  14 33  o 18.100  0.5113 0.1248000      1.023000  
1 1 1 8  14 34  f 21.700  0.5129 0.3928000      1.026000  
1 1 1 8  14 35  o 28.310  0.5621 0.8963000E-01  1.124000  
1 1 1 8  14 36  o 25.890  0.5536 -0.5711000E-02 1.107000  
1 1 1 8  14 37  o 14.410  0.6208 0.3980000      1.242000  
1 1 1 8  14 38  o 35.250  0.6478 -2.009000      1.296000  
1 1 1 8  14 39  f 9.9550  0.9080 -0.2144000     1.816000  
1 1 1 8  14 40  o 20.030  0.5463 -1.684000      1.093000  
1 1 1 8  14 41  o 7.3790  1.0780 0.2549000      2.157000  
1 1 1 8  14 42  o 5.7360  1.4090 2.446000       2.818000  
1 1 1 8  14 43  o 19.490  0.7107 -2.195000      1.421000  
1 1 1 8  14 44  o 21.110  0.7131 -0.6331000     1.426000  
1 1 1 8  14 45  o 9.4920  1.2110 0.3366000      2.423000  
1 1 1 8  14 46  o 12.560  0.9240 1.952000       1.848000  
1 1 1 8  14 47  o 23.330  0.7203 -2.285000      1.441000  
1 1 1 8  14 48  o 13.510  0.9606 0.2063000E-01  1.921000  
1 1 1 8  14 49  o 8.5800  1.4090 0.9512000      2.817000  
1 1 1 8  14 50  o 10.160  1.3000 0.8384000      2.599000  
1 1 1 8  14 51  o 10.230  1.2980 -1.073000      2.596000  
1 1 1 8  14 52  o 22.590  0.9435 -1.907000      1.887000  
1 1 1 8  14 53  o 10.640  1.6390 -3.811000      3.278000  
1 1 1 8  14 54  o 5.3600  1.6680 -1.519000      3.337000  
1 1 1 8  14 55  o 8.8830  1.8870 -0.8347000     3.773000  
1 1 1 8  14 56  o 6.8010  1.7370 3.828000       3.474000  
1 1 1 8  14 57  o 7.0370  1.9210 -0.1488000E-01 3.842000  
1 1 1 8  14 58  o 12.510  1.7070 3.922000       3.414000  
1 1 1 8  14 59  o 10.790  1.8660 -1.567000      3.732000  
1 1 1 8  14 60  o 8.8100  1.8740 4.630000       3.749000  
1 1 1 8  14 61  o 6.2070  1.8790 -0.3657000     3.758000  
1 1 1 8  14 62  o 5.6030  1.7820 -0.1048000     3.565000  
1 1 1 8  14 63  o 14.610  1.6730 2.953000       3.346000  
1 1 1 8  14 64  o 5.4410  1.7770 -0.5212000     3.555000  
1 1 1 8  14 65  o 5.9790  1.8760 0.2755000      3.751000  
1 1 1 8  14 66  o 6.2320  1.9470 -0.2868000     3.894000  
1 1 1 8  14 67  o 11.950  2.0810 -1.150000      4.162000  
1 1 1 8  14 68  o 6.3520  1.9140 1.667000       3.829000  
1 1 1 8  14 69  o 9.9650  2.0330 3.606000       4.067000  
1 1 1 8  14 70  o 6.4710  1.9760 -0.9611000     3.951000  
1 1 1 8  14 71  o 6.0670  1.9290 -0.2930000     3.859000  
1 1 1 8  14 72  o 5.2480  2.4920 ?              ?         
1 1 1 8  14 73  o 8.7010  2.3020 -2.789000      4.604000  
1 1 1 8  14 74  o 5.1890  1.7660 -0.6928000     3.532000  
1 1 1 8  14 75  f 9.1090  2.3280 -0.7978000     4.655000  
1 1 1 8  14 76  o 5.0580  1.7180 0.8467000      3.437000  
1 1 1 8  14 77  o 6.1920  1.9530 -0.8208000     3.905000  
1 1 1 8  14 78  o 7.3870  2.1380 -2.482000      4.275000  
1 1 1 8  14 79  o 5.5760  1.8720 0.1603000E-01  3.745000  
1 1 1 8  14 80  o 6.6810  2.0790 1.727000       4.158000  
1 1 1 8  14 81  o 5.0380  1.7350 0.2725000      3.471000  
1 1 1 8  14 82  o 7.4250  2.1980 -1.026000      4.396000  
1 1 1 8  14 83  o 4.7650  1.6460 0.1172000      3.292000  
1 1 1 8  14 84  o 4.8900  1.6610 -0.6038000     3.322000  
1 1 1 8  14 85  o 4.4930  1.5390 0.2494000E-01  3.077000  
1 1 1 8  14 86  o 4.2790  1.4730 1.753000       2.947000  
1 1 1 8  14 87  f 4.5750  1.6020 -1.209000      3.205000  
1 1 1 8  15 0   o 62.750  1.2320 -0.000000      0.000000  
1 1 1 8  15 1   o 15.950  0.4463 3.206000       0.8927000 
1 1 1 8  15 2   o 19.020  0.4430 -2.256000      0.8859000 
1 1 1 8  15 3   o 59.390  0.8272 0.8357000      1.654000  
1 1 1 8  15 4   o 22.330  0.4912 -1.750000      0.9824000 
1 1 1 8  15 5   f 58.340  0.8817 -2.130000      1.763000  
1 1 1 8  15 6   o 19.800  0.5166 -1.652000      1.033000  
1 1 1 8  15 7   o 56.500  0.7887 0.9623000      1.577000  
1 1 1 8  15 8   o 32.690  0.6309 0.4343000      1.262000  
1 1 1 8  15 9   o 60.590  0.9153 -2.295000      1.831000  
1 1 1 8  15 10  o 32.540  0.6912 3.213000       1.382000  
1 1 1 8  15 11  o 18.740  0.4603 -1.042000      0.9206000 
1 1 1 8  15 12  o 38.050  0.5484 0.9630000      1.097000  
1 1 1 8  15 13  o 27.440  0.4995 0.7887000      0.9989000 
1 1 1 8  15 14  o 36.270  0.5296 0.5488000      1.059000  
1 1 1 8  15 15  o 48.460  0.6846 0.1350000      1.369000  
1 1 1 8  15 16  o 71.210  0.9916 0.5476000      1.983000  
1 1 1 8  15 17  o 30.490  0.6069 -2.242000      1.214000  
1 1 1 8  15 18  o 22.630  0.3980 0.8153000      0.7961000 
1 1 1 8  15 19  o 15.980  0.4255 1.393000       0.8510000 
1 1 1 8  15 20  o 21.440  0.4559 -0.5590000     0.9119000 
1 1 1 8  15 21  o 23.490  0.4087 0.1808000      0.8175000 
1 1 1 8  15 22  o 17.500  0.3962 -0.4888000E-01 0.7925000 
1 1 1 8  15 23  o 10.490  0.7070 -1.466000      1.414000  
1 1 1 8  15 24  f 87.020  1.5770 1.616000       3.155000  
1 1 1 8  15 25  o 10.180  0.7558 -5.150000      1.512000  
1 1 1 8  15 26  o 25.570  0.5204 3.172000       1.041000  
1 1 1 8  15 27  f 16.400  0.5070 -4.452000      1.014000  
1 1 1 8  15 28  o 29.390  0.5902 -1.717000      1.180000  
1 1 1 8  15 29  o 12.640  0.7151 -4.467000      1.430000  
1 1 1 8  15 30  o 18.940  0.5047 -1.151000      1.009000  
1 1 1 8  15 31  o 16.050  0.5358 -0.5783000     1.072000  
1 1 1 8  15 32  o 23.210  0.5196 -0.2766000     1.039000  
1 1 1 8  15 33  o 18.250  0.5345 -0.7986000     1.069000  
1 1 1 8  15 34  o 26.550  0.5545 -0.9919000     1.109000  
1 1 1 8  15 35  o 17.530  0.5369 0.3389000      1.074000  
1 1 1 8  15 36  o 26.060  0.5626 -0.1609000     1.125000  
1 1 1 8  15 37  o 37.270  0.6733 -0.1137000     1.347000  
1 1 1 8  15 38  o 7.6470  1.0960 -1.419000      2.193000  
1 1 1 8  15 39  o 21.230  0.5655 -1.121000      1.131000  
1 1 1 8  15 40  o 28.560  0.6050 -0.6082000     1.210000  
1 1 1 8  15 41  o 17.860  0.5887 -0.4558000     1.177000  
1 1 1 8  15 42  o 23.920  0.5877 -0.4282000     1.175000  
1 1 1 8  15 43  o 22.440  0.5829 -0.2310000     1.166000  
1 1 1 8  15 44  o 21.550  0.6042 -0.7066000     1.208000  
1 1 1 8  15 45  o 17.580  0.7611 2.215000       1.522000  
1 1 1 8  15 46  o 20.170  0.7294 0.9992000      1.459000  
1 1 1 8  15 47  o 18.020  0.7909 1.779000       1.582000  
1 1 1 8  15 48  o 5.4190  1.4240 -0.8526000     2.847000  
1 1 1 8  15 49  o 8.5720  1.4040 2.038000       2.807000  
1 1 1 8  15 50  o 15.750  0.9385 -0.2837000     1.877000  
1 1 1 8  15 51  o 9.4990  1.3980 -3.099000      2.796000  
1 1 1 8  15 52  o 14.810  0.9860 0.3237000      1.972000  
1 1 1 8  15 53  o 5.1360  1.4990 3.524000       2.999000  
1 1 1 8  15 54  o 7.1730  1.6540 3.307000       3.308000  
1 1 1 8  15 55  o 5.4720  1.5650 0.4314000      3.131000  
1 1 1 8  15 56  o 5.1520  1.6440 -0.8855000     3.289000  
1 1 1 8  15 57  o 20.890  1.0980 0.3083000      2.196000  
1 1 1 8  15 58  o 15.850  1.4170 1.565000       2.834000  
1 1 1 8  15 59  o 7.1590  1.9490 -0.2029000     3.898000  
1 1 1 8  15 60  o 5.2640  1.6880 -1.581000      3.376000  
1 1 1 8  15 61  o 8.1060  1.9730 2.723000       3.947000  
1 1 1 8  15 62  o 11.850  1.9180 -1.287000      3.836000  
1 1 1 8  15 63  o 8.5840  2.0210 2.828000       4.042000  
1 1 1 8  15 64  f 6.4110  1.9140 -2.629000      3.829000  
1 1 1 8  15 65  o 9.2210  2.0960 0.6200000      4.192000  
1 1 1 8  15 66  o 8.3330  2.1190 0.5330000      4.238000  
1 1 1 8  15 67  o 5.9180  1.8660 -0.5474000     3.733000  
1 1 1 8  15 68  o 10.100  2.1320 0.5700000E-01  4.263000  
1 1 1 8  15 69  o 7.8710  2.1110 -0.5553000     4.221000  
1 1 1 8  15 70  f 6.2780  1.9490 -2.950000      3.897000  
1 1 1 8  15 71  o 9.8740  2.2120 0.3862000      4.424000  
1 1 1 8  15 72  o 6.7080  2.0470 -1.179000      4.094000  
1 1 1 8  15 73  o 6.0810  1.9180 -2.745000      3.835000  
1 1 1 8  15 74  f 5.3390  1.7630 -0.4710000     3.527000  
1 1 1 8  15 75  o 6.9780  2.0800 -0.8924000     4.161000  
1 1 1 8  15 76  o 5.2660  1.7670 -0.3140000     3.534000  
1 1 1 8  15 77  f 5.1250  1.7390 -0.5535000     3.479000  
1 1 1 8  15 78  o 6.7040  2.0880 1.039000       4.176000  
1 1 1 8  15 79  o 5.2430  1.7730 0.9572000      3.546000  
1 1 1 8  15 80  o 5.7690  1.9020 -1.156000      3.804000  
1 1 1 8  15 81  o 5.7270  1.8900 -0.7635000     3.781000  
1 1 1 8  15 82  o 4.6860  1.6260 -0.4037000     3.252000  
1 1 1 8  15 83  o 4.9770  1.6830 -1.237000      3.366000  
1 1 1 8  15 84  o 3.7500  1.3270 0.3316000      2.654000  
1 1 1 8  15 85  o 4.0970  1.4540 -0.3442000E-01 2.907000  
1 1 1 8  15 86  o 4.0110  2.0100 ?              ?         
1 1 1 8  16 0   o 52.030  1.0300 -0.000000      0.000000  
1 1 1 8  16 1   o 39.890  0.5715 -1.933000      1.143000  
1 1 1 8  16 2   o 31.120  0.5004 -2.423000      1.001000  
1 1 1 8  16 3   o 35.840  0.5184 -0.6052000E-01 1.037000  
1 1 1 8  16 4   o 28.710  0.4759 0.2597000      0.9518000 
1 1 1 8  16 5   o 39.980  0.5701 -0.3127000     1.140000  
1 1 1 8  16 6   o 23.980  0.4521 3.522000       0.9041000 
1 1 1 8  16 7   o 30.630  0.4986 -0.7685000     0.9972000 
1 1 1 8  16 8   o 38.680  0.5572 0.5493000      1.114000  
1 1 1 8  16 9   o 31.160  0.5075 -2.137000      1.015000  
1 1 1 8  16 10  o 27.630  0.5015 -5.568000      1.003000  
1 1 1 8  16 11  o 49.140  0.6936 -0.3823000E-01 1.387000  
1 1 1 8  16 12  o 32.120  0.6514 11.80000       1.303000  
1 1 1 8  16 13  o 49.980  0.7054 0.8111000      1.411000  
1 1 1 8  16 14  o 28.200  0.5139 -1.375000      1.028000  
1 1 1 8  16 15  o 25.310  0.5380 1.542000       1.076000  
1 1 1 8  16 16  o 49.690  0.7039 1.517000       1.408000  
1 1 1 8  16 17  o 47.370  0.6725 2.241000       1.345000  
1 1 1 8  16 18  o 22.960  0.5323 -2.983000      1.065000  
1 1 1 8  16 19  o 7.3860  0.7752 0.3075000      1.550000  
1 1 1 8  16 20  o 9.1700  0.5756 -0.1139000     1.151000  
1 1 1 8  16 21  o 35.420  0.5318 1.213000       1.064000  
1 1 1 8  16 22  o 64.640  0.9039 -0.2927000     1.808000  
1 1 1 8  16 23  o 56.910  0.8046 -0.9548000     1.609000  
1 1 1 8  16 24  o 33.880  0.6356 1.255000       1.271000  
1 1 1 8  16 25  o 25.720  0.4789 -0.2603000     0.9578000 
1 1 1 8  16 26  o 20.540  0.4521 -0.5010000     0.9042000 
1 1 1 8  16 27  o 46.870  0.7856 2.183000       1.571000  
1 1 1 8  16 28  o 13.390  0.6567 -0.5321000E-01 1.313000  
1 1 1 8  16 29  o 16.690  0.4983 0.1099000      0.9966000 
1 1 1 8  16 30  f 8.2170  0.9495 -1.472000      1.899000  
1 1 1 8  16 31  o 15.490  0.5553 -1.680000      1.111000  
1 1 1 8  16 32  o 24.700  0.5893 -0.1922000     1.179000  
1 1 1 8  16 33  f 63.660  1.0470 -1.152000      2.094000  
1 1 1 8  16 34  o 18.920  0.7057 -0.3807000     1.411000  
1 1 1 8  16 35  o 20.550  0.5515 1.367000       1.103000  
1 1 1 8  16 36  f 18.680  0.5707 -0.1309000     1.141000  
1 1 1 8  16 37  o 23.000  0.5664 0.2524000      1.133000  
1 1 1 8  16 38  o 25.360  0.5755 1.932000       1.151000  
1 1 1 8  16 39  o 17.440  0.6138 1.554000       1.228000  
1 1 1 8  16 40  o 11.130  0.7974 0.8645000      1.595000  
1 1 1 8  16 41  o 9.3570  0.9545 -0.5523000     1.909000  
1 1 1 8  16 42  o 30.520  0.6343 -1.272000      1.269000  
1 1 1 8  16 43  o 12.140  0.7854 0.3314000      1.571000  
1 1 1 8  16 44  o 14.210  0.7182 1.018000       1.436000  
1 1 1 8  16 45  f 11.590  0.8398 1.482000       1.680000  
1 1 1 8  16 46  o 7.5110  1.2450 3.234000       2.490000  
1 1 1 8  16 47  o 11.610  0.8735 -0.7886000E-01 1.747000  
1 1 1 8  16 48  o 9.4360  1.1660 0.8386000      2.332000  
1 1 1 8  16 49  o 19.660  0.6501 -0.6228000     1.300000  
1 1 1 8  16 50  o 15.780  0.9509 -2.099000      1.902000  
1 1 1 8  16 51  o 17.510  0.8733 0.2406000      1.747000  
1 1 1 8  16 52  o 7.5130  1.4160 -4.328000      2.833000  
1 1 1 8  16 53  o 6.2200  1.6130 0.3614000      3.226000  
1 1 1 8  16 54  o 10.670  1.3590 0.4012000      2.717000  
1 1 1 8  16 55  o 5.0240  1.4890 -0.4857000     2.977000  
1 1 1 8  16 56  o 5.3790  1.5840 2.340000       3.168000  
1 1 1 8  16 57  o 4.8020  1.5190 1.640000       3.037000  
1 1 1 8  16 58  o 16.170  1.0660 0.8287000      2.132000  
1 1 1 8  16 59  o 11.700  1.4010 -0.6431000     2.802000  
1 1 1 8  16 60  o 12.060  1.4290 -3.003000      2.859000  
1 1 1 8  16 61  o 10.100  2.1170 2.704000       4.233000  
1 1 1 8  16 62  o 7.4160  1.9880 -1.460000      3.977000  
1 1 1 8  16 63  o 5.2250  1.6910 0.5740000      3.381000  
1 1 1 8  16 64  o 5.5660  1.7640 0.5392000E-01  3.528000  
1 1 1 8  16 65  o 5.7110  1.7800 -2.017000      3.560000  
1 1 1 8  16 66  o 7.6680  2.0430 -0.8229000     4.085000  
1 1 1 8  16 67  o 10.240  2.0550 0.7621000      4.111000  
1 1 1 8  16 68  f 5.4240  1.7550 0.4675000      3.511000  
1 1 1 8  16 69  o 5.1080  1.7070 -1.068000      3.415000  
1 1 1 8  16 70  o 4.7030  1.6020 -0.5238000     3.204000  
1 1 1 8  16 71  o 5.8960  1.8070 1.818000       3.614000  
1 1 1 8  16 72  o 6.2230  1.9250 -1.316000      3.851000  
1 1 1 8  16 73  o 5.7000  1.8260 -0.2351000     3.653000  
1 1 1 8  16 74  o 6.9280  2.0310 -0.1179000     4.062000  
1 1 1 8  16 75  o 4.9410  1.6730 -1.423000      3.347000  
1 1 1 8  16 76  o 6.5050  2.0080 -1.520000      4.016000  
1 1 1 8  16 77  o 4.4700  1.5600 -0.8824000     3.121000  
1 1 1 8  16 78  o 5.6140  1.8200 -0.9369000     3.641000  
1 1 1 8  16 79  o 4.5710  1.5890 -1.179000      3.178000  
1 1 1 8  16 80  o 4.9580  1.6880 -0.9478000     3.375000  
1 1 1 8  16 81  o 4.2540  1.4910 0.5276000      2.983000  
1 1 1 8  16 82  o 4.4050  1.4990 -0.3563000     2.997000  
1 1 1 8  16 83  o 3.6550  1.2820 0.2000000      2.565000  
1 1 1 8  16 84  o 4.3890  2.1440 ?              ?         
1 1 1 8  17 0   o 62.370  1.2300 0.000000       0.000000  
1 1 1 8  17 1   o 26.770  0.6111 3.662000       1.222000  
1 1 1 8  17 2   f 55.960  0.8484 3.123000       1.697000  
1 1 1 8  17 3   o 60.000  0.8384 -0.1529000     1.677000  
1 1 1 8  17 4   o 33.770  0.6389 8.637000       1.278000  
1 1 1 8  17 5   o 37.800  0.5480 -0.1716000     1.096000  
1 1 1 8  17 6   o 19.770  0.4913 2.250000       0.9827000 
1 1 1 8  17 7   o 23.920  0.4364 -0.6485000     0.8729000 
1 1 1 8  17 8   f 38.790  0.6492 1.105000       1.298000  
1 1 1 8  17 9   o 53.220  0.7476 0.7161000      1.495000  
1 1 1 8  17 10  o 30.430  0.6668 -3.071000      1.334000  
1 1 1 8  17 11  o 46.160  0.6577 0.8620000      1.315000  
1 1 1 8  17 12  f 26.420  0.5631 -2.366000      1.126000  
1 1 1 8  17 13  o 40.330  0.5825 0.3469000E-01  1.165000  
1 1 1 8  17 14  o 38.290  0.6506 3.712000       1.301000  
1 1 1 8  17 15  o 40.190  0.5830 1.511000       1.166000  
1 1 1 8  17 16  o 23.170  0.4847 -0.9488000     0.9694000 
1 1 1 8  17 17  o 22.020  0.4094 0.3987000      0.8189000 
1 1 1 8  17 18  o 31.590  0.4862 -0.6236000E-01 0.9724000 
1 1 1 8  17 19  o 8.9350  0.7086 -0.4558000     1.417000  
1 1 1 8  17 20  o 39.410  0.5805 0.6190000      1.161000  
1 1 1 8  17 21  o 33.640  0.5977 -1.285000      1.195000  
1 1 1 8  17 22  o 22.410  0.4237 -0.6016000E-01 0.8473000 
1 1 1 8  17 23  o 17.420  0.4286 -0.3790000     0.8571000 
1 1 1 8  17 24  o 24.680  0.4410 -1.013000      0.8819000 
1 1 1 8  17 25  o 9.1410  0.8916 0.5631000      1.783000  
1 1 1 8  17 26  o 16.720  0.4943 -1.150000      0.9886000 
1 1 1 8  17 27  f 30.210  0.5288 -0.1307000     1.058000  
1 1 1 8  17 28  o 13.030  0.6793 0.8833000      1.359000  
1 1 1 8  17 29  o 31.350  0.5493 -0.3051000     1.099000  
1 1 1 8  17 30  o 43.450  0.6962 0.3789000      1.392000  
1 1 1 8  17 31  o 40.660  0.6611 -1.041000      1.322000  
1 1 1 8  17 32  o 14.080  0.8161 2.123000       1.632000  
1 1 1 8  17 33  o 20.270  0.5551 -0.1405000     1.110000  
1 1 1 8  17 34  o 31.920  0.6192 -0.2414000     1.238000  
1 1 1 8  17 35  o 46.250  0.7927 1.006000       1.585000  
1 1 1 8  17 36  o 10.850  1.0640 1.965000       2.128000  
1 1 1 8  17 37  o 18.600  0.5983 -0.7194000     1.197000  
1 1 1 8  17 38  o 5.0280  1.2580 0.8462000      2.515000  
1 1 1 8  17 39  o 20.510  0.5868 -0.1344000     1.174000  
1 1 1 8  17 40  o 46.350  0.8081 0.7565000      1.616000  
1 1 1 8  17 41  o 14.330  0.9305 0.3734000      1.861000  
1 1 1 8  17 42  o 34.030  0.6693 -0.3112000E-01 1.339000  
1 1 1 8  17 43  o 6.7110  1.4990 1.669000       2.998000  
1 1 1 8  17 44  o 19.850  0.6321 -0.8879000     1.264000  
1 1 1 8  17 45  o 22.290  0.6279 -0.7144000     1.256000  
1 1 1 8  17 46  o 12.970  0.8344 -0.4139000     1.669000  
1 1 1 8  17 47  o 11.630  0.9047 0.8239000      1.809000  
1 1 1 8  17 48  o 18.430  0.6765 -0.2814000     1.353000  
1 1 1 8  17 49  o 4.1650  1.2880 -0.1592000     2.576000  
1 1 1 8  17 50  o 10.950  1.0300 0.2847000      2.060000  
1 1 1 8  17 51  o 13.130  0.8294 -1.144000      1.659000  
1 1 1 8  17 52  f 5.3730  1.3670 -1.883000      2.735000  
1 1 1 8  17 53  o 4.6660  1.3460 0.7374000      2.692000  
1 1 1 8  17 54  o 7.9170  1.3830 1.006000       2.766000  
1 1 1 8  17 55  o 11.290  1.3870 -5.429000      2.774000  
1 1 1 8  17 56  o 19.950  0.9045 -0.8120000     1.809000  
1 1 1 8  17 57  o 9.5890  1.4770 4.734000       2.954000  
1 1 1 8  17 58  o 4.1670  1.3650 0.5696000      2.730000  
1 1 1 8  17 59  o 6.1670  1.5020 -2.855000      3.004000  
1 1 1 8  17 60  o 14.090  1.1630 2.160000       2.325000  
1 1 1 8  17 61  o 4.6120  1.4350 -0.8156000     2.870000  
1 1 1 8  17 62  o 6.9740  1.6210 -1.840000      3.242000  
1 1 1 8  17 63  o 4.8910  1.5410 1.248000       3.081000  
1 1 1 8  17 64  o 4.2520  1.4080 1.658000       2.816000  
1 1 1 8  17 65  o 5.4980  1.7500 -0.3215000     3.500000  
1 1 1 8  17 66  o 6.3130  1.8160 -3.786000      3.633000  
1 1 1 8  17 67  o 6.3820  1.8860 1.020000       3.772000  
1 1 1 8  17 68  o 6.1130  1.9430 -0.3268000     3.885000  
1 1 1 8  17 69  f 8.2680  2.0380 -0.3398000     4.076000  
1 1 1 8  17 70  o 7.0400  1.9820 -1.725000      3.964000  
1 1 1 8  17 71  o 4.6380  1.5770 -0.1346000     3.155000  
1 1 1 8  17 72  o 7.6890  2.0650 0.1877000      4.130000  
1 1 1 8  17 73  o 5.4040  1.7700 -0.2426000     3.540000  
1 1 1 8  17 74  o 4.6110  1.5800 0.3317000      3.160000  
1 1 1 8  17 75  o 5.3750  1.7890 -0.9999000     3.578000  
1 1 1 8  17 76  o 5.3130  1.7600 -0.8578000E-01 3.520000  
1 1 1 8  17 77  o 4.1790  1.4510 -0.6847000E-01 2.902000  
1 1 1 8  17 78  o 5.4180  1.7430 1.283000       3.485000  
1 1 1 8  17 79  o 5.0510  1.6170 2.849000       3.234000  
1 1 1 8  17 80  f 4.1530  1.3990 -0.7937000     2.799000  
1 1 1 8  17 81  o 3.5550  1.2210 0.5197000      2.442000  
1 1 1 8  17 82  o 4.8690  2.3220 ?              ?         
1 1 1 8  18 0   f 56.690  1.1240 0.000000       0.000000  
1 1 1 8  18 1   o 30.380  0.6038 -2.105000      1.208000  
1 1 1 8  18 2   o 37.510  0.5468 -0.1765000     1.094000  
1 1 1 8  18 3   o 30.710  0.6075 -0.7481000E-01 1.215000  
1 1 1 8  18 4   o 59.510  0.8360 -0.6774000     1.672000  
1 1 1 8  18 5   o 27.280  0.5752 -4.520000      1.150000  
1 1 1 8  18 6   o 8.3500  0.6688 -0.7746000     1.338000  
1 1 1 8  18 7   o 19.860  0.5931 -7.084000      1.186000  
1 1 1 8  18 8   o 48.180  0.6840 0.7477000      1.368000  
1 1 1 8  18 9   o 19.520  0.5098 0.2489000      1.020000  
1 1 1 8  18 10  o 18.870  0.3895 0.3191000      0.7789000 
1 1 1 8  18 11  o 20.180  0.4650 -3.718000      0.9299000 
1 1 1 8  18 12  o 56.420  0.7964 0.8917000      1.593000  
1 1 1 8  18 13  o 15.620  0.8186 ?              ?         
1 1 1 8  18 14  o 16.840  0.4132 -0.7901000     0.8264000 
1 1 1 8  18 15  o 7.9110  0.9214 -4.167000      1.843000  
1 1 1 8  18 16  o 24.730  0.4626 -1.488000      0.9252000 
1 1 1 8  18 17  o 44.290  0.6398 0.7707000      1.280000  
1 1 1 8  18 18  o 65.440  0.9188 1.743000       1.838000  
1 1 1 8  18 19  o 22.990  0.5108 -1.478000      1.022000  
1 1 1 8  18 20  o 29.020  0.4716 -0.9358000     0.9431000 
1 1 1 8  18 21  o 18.450  0.5149 0.7749000      1.030000  
1 1 1 8  18 22  o 22.700  0.4369 0.3483000      0.8738000 
1 1 1 8  18 23  o 11.870  0.6651 1.392000       1.330000  
1 1 1 8  18 24  o 8.8240  0.6972 -1.553000      1.394000  
1 1 1 8  18 25  o 6.2050  0.9460 0.1850000      1.892000  
1 1 1 8  18 26  f 6.8880  0.9323 -2.284000      1.865000  
1 1 1 8  18 27  o 19.620  0.4928 1.877000       0.9857000 
1 1 1 8  18 28  o 37.870  0.6221 -1.051000      1.244000  
1 1 1 8  18 29  o 17.530  0.6290 0.5224000      1.258000  
1 1 1 8  18 30  o 26.560  0.5207 -0.4164000     1.041000  
1 1 1 8  18 31  o 36.620  0.6163 -0.3280000     1.233000  
1 1 1 8  18 32  o 16.760  0.6802 0.7380000      1.360000  
1 1 1 8  18 33  o 43.260  0.7544 -0.7952000     1.509000  
1 1 1 8  18 34  o 41.040  0.7269 -0.7749000     1.454000  
1 1 1 8  18 35  o 23.940  0.6537 3.386000       1.307000  
1 1 1 8  18 36  o 16.530  0.6367 0.7176000      1.273000  
1 1 1 8  18 37  o 19.510  0.6047 -1.120000      1.209000  
1 1 1 8  18 38  o 14.430  0.7146 0.6193000      1.429000  
1 1 1 8  18 39  o 30.220  0.6216 0.3245000      1.243000  
1 1 1 8  18 40  o 17.240  0.9397 -6.540000      1.879000  
1 1 1 8  18 41  o 6.1130  1.2930 2.633000       2.587000  
1 1 1 8  18 42  o 21.750  0.6164 0.7995000E-01  1.233000  
1 1 1 8  18 43  o 26.950  0.6249 0.3295000E-01  1.250000  
1 1 1 8  18 44  o 23.800  0.7224 -2.963000      1.445000  
1 1 1 8  18 45  o 6.8750  1.3140 1.988000       2.628000  
1 1 1 8  18 46  o 13.390  0.7871 -0.6387000E-01 1.574000  
1 1 1 8  18 47  o 7.1000  1.3330 1.334000       2.665000  
1 1 1 8  18 48  o 12.660  0.8510 0.6325000      1.702000  
1 1 1 8  18 49  o 7.5840  1.3290 0.6024000      2.657000  
1 1 1 8  18 50  o 8.6090  1.2750 -0.3679000     2.549000  
1 1 1 8  18 51  o 12.700  0.8931 2.298000       1.786000  
1 1 1 8  18 52  o 6.9740  1.4270 0.3977000      2.854000  
1 1 1 8  18 53  o 5.4010  1.4220 0.9177000      2.844000  
1 1 1 8  18 54  o 20.210  0.6901 -2.265000      1.380000  
1 1 1 8  18 55  o 5.8790  1.4430 0.2707000      2.885000  
1 1 1 8  18 56  o 5.2560  1.3790 -2.513000      2.758000  
1 1 1 8  18 57  o 9.1680  1.2500 -1.552000      2.500000  
1 1 1 8  18 58  o 5.3310  1.4020 1.247000       2.805000  
1 1 1 8  18 59  o 4.1610  1.3320 -0.5886000     2.664000  
1 1 1 8  18 60  o 6.6880  1.6450 -0.6936000     3.290000  
1 1 1 8  18 61  f 6.9620  1.6230 -1.959000      3.246000  
1 1 1 8  18 62  o 6.8690  1.6980 -0.8324000     3.396000  
1 1 1 8  18 63  o 7.9920  1.5950 -3.469000      3.190000  
1 1 1 8  18 64  o 5.1340  1.5300 -0.8425000     3.060000  
1 1 1 8  18 65  o 4.3870  1.4250 -0.3465000E-01 2.850000  
1 1 1 8  18 66  o 7.2470  1.7380 2.561000       3.477000  
1 1 1 8  18 67  o 5.0060  1.5470 0.5549000E-01  3.095000  
1 1 1 8  18 68  o 7.3940  1.7600 0.3745000      3.519000  
1 1 1 8  18 69  o 6.7400  1.7560 0.6633000      3.512000  
1 1 1 8  18 70  f 4.4090  1.5160 -0.1591000     3.032000  
1 1 1 8  18 71  o 6.2730  1.9070 -1.540000      3.814000  
1 1 1 8  18 72  o 5.3960  1.7180 1.988000       3.437000  
1 1 1 8  18 73  o 6.9730  2.0060 0.9700000      4.013000  
1 1 1 8  18 74  o 5.2270  1.7100 0.1820000E-01  3.421000  
1 1 1 8  18 75  o 6.0970  1.9030 0.9429000      3.806000  
1 1 1 8  18 76  o 4.3930  1.5150 0.5981000      3.030000  
1 1 1 8  18 77  o 4.0770  1.4080 0.8846000E-01  2.815000  
1 1 1 8  18 78  o 4.4610  1.4690 0.6560000      2.937000  
1 1 1 8  18 79  o 3.4210  1.2150 0.3935000      2.430000  
1 1 1 8  18 80  o 4.3010  2.1040 ?              ?         
1 1 1 8  19 0   o 22.640  0.6728 -0.000000      0.000000  
1 1 1 8  19 1   o 39.050  0.5720 1.751000       1.144000  
1 1 1 8  19 2   o 39.090  0.6610 2.107000       1.322000  
1 1 1 8  19 3   o 10.340  0.7745 0.7462000      1.549000  
1 1 1 8  19 4   o 21.820  0.4064 -0.4720000     0.8127000 
1 1 1 8  19 5   o 15.600  0.6268 -1.576000      1.254000  
1 1 1 8  19 6   o 41.760  0.6556 -1.593000      1.311000  
1 1 1 8  19 7   o 15.550  0.6307 -0.9223000     1.261000  
1 1 1 8  19 8   o 26.380  0.5767 -4.902000      1.153000  
1 1 1 8  19 9   o 48.500  0.6906 -0.1471000     1.381000  
1 1 1 8  19 10  o 23.580  0.6527 18.92000       1.305000  
1 1 1 8  19 11  o 33.420  0.5085 1.537000       1.017000  
1 1 1 8  19 12  o 26.940  0.4823 0.2849000      0.9646000 
1 1 1 8  19 13  o 21.110  0.5257 -1.809000      1.051000  
1 1 1 8  19 14  o 26.020  0.4408 -0.7018000     0.8817000 
1 1 1 8  19 15  o 22.490  0.4584 2.663000       0.9168000 
1 1 1 8  19 16  o 19.950  0.4180 -0.8733000     0.8360000 
1 1 1 8  19 17  o 16.900  0.4381 0.5206000      0.8761000 
1 1 1 8  19 18  o 15.610  0.4459 -2.290000      0.8917000 
1 1 1 8  19 19  o 35.540  0.5415 1.299000       1.083000  
1 1 1 8  19 20  o 23.590  0.4801 1.182000       0.9602000 
1 1 1 8  19 21  o 18.470  0.5301 1.035000       1.060000  
1 1 1 8  19 22  o 14.600  0.4895 -1.544000      0.9790000 
1 1 1 8  19 23  o 28.090  0.4793 -0.1585000     0.9586000 
1 1 1 8  19 24  o 16.470  0.6343 0.9990000      1.269000  
1 1 1 8  19 25  o 53.740  0.7699 -0.1018000     1.540000  
1 1 1 8  19 26  o 48.830  0.7080 -0.5819000E-01 1.416000  
1 1 1 8  19 27  o 20.000  0.5460 -0.1692000     1.092000  
1 1 1 8  19 28  o 25.790  0.5235 -0.8906000E-01 1.047000  
1 1 1 8  19 29  o 49.420  0.8886 -1.755000      1.777000  
1 1 1 8  19 30  o 32.480  0.6614 0.1373000      1.323000  
1 1 1 8  19 31  o 21.060  0.5986 0.9956000      1.197000  
1 1 1 8  19 32  f 21.450  0.5211 -1.550000      1.042000  
1 1 1 8  19 33  o 12.800  0.6802 0.5004000      1.360000  
1 1 1 8  19 34  o 30.270  0.6087 0.3341000      1.217000  
1 1 1 8  19 35  o 27.050  0.5979 0.4308000      1.196000  
1 1 1 8  19 36  o 10.920  1.1090 -2.558000      2.218000  
1 1 1 8  19 37  o 4.1810  1.2360 0.2377000      2.473000  
1 1 1 8  19 38  o 14.190  0.7364 -0.3084000     1.473000  
1 1 1 8  19 39  o 7.6850  1.2480 1.769000       2.496000  
1 1 1 8  19 40  o 18.230  0.6472 0.3037000      1.294000  
1 1 1 8  19 41  o 5.7540  1.3530 -1.613000      2.706000  
1 1 1 8  19 42  o 21.670  0.6155 -0.4036000     1.231000  
1 1 1 8  19 43  o 5.8970  1.3460 2.330000       2.693000  
1 1 1 8  19 44  o 17.650  0.6782 -0.6892000     1.356000  
1 1 1 8  19 45  o 12.960  0.8388 -1.097000      1.678000  
1 1 1 8  19 46  o 7.1640  1.3820 -1.351000      2.763000  
1 1 1 8  19 47  o 15.850  0.7484 0.1414000      1.497000  
1 1 1 8  19 48  o 10.640  1.0120 -1.989000      2.025000  
1 1 1 8  19 49  o 6.2650  1.4200 -0.8526000     2.840000  
1 1 1 8  19 50  o 3.7470  1.1990 -0.3099000     2.399000  
1 1 1 8  19 51  o 10.800  0.9763 -2.083000      1.953000  
1 1 1 8  19 52  o 6.2240  1.3820 1.270000       2.765000  
1 1 1 8  19 53  o 4.9950  1.4070 -0.2603000     2.814000  
1 1 1 8  19 54  o 6.5200  1.4040 1.971000       2.808000  
1 1 1 8  19 55  o 5.9260  1.4550 -0.5172000     2.911000  
1 1 1 8  19 56  o 6.4690  1.4570 -0.8712000     2.914000  
1 1 1 8  19 57  o 4.2380  1.2880 -0.5272000     2.576000  
1 1 1 8  19 58  o 5.5440  1.3840 -2.200000      2.768000  
1 1 1 8  19 59  o 10.630  1.1250 -1.282000      2.249000  
1 1 1 8  19 60  o 5.9850  1.4470 -1.991000      2.893000  
1 1 1 8  19 61  o 4.9190  1.3600 -2.022000      2.721000  
1 1 1 8  19 62  f 5.1850  1.4430 1.054000       2.885000  
1 1 1 8  19 63  o 5.3130  1.4430 0.5234000      2.886000  
1 1 1 8  19 64  o 5.4840  1.5840 -0.7765000     3.168000  
1 1 1 8  19 65  o 6.1870  1.6090 -1.930000      3.217000  
1 1 1 8  19 66  o 8.7800  1.6030 -3.778000      3.206000  
1 1 1 8  19 67  o 4.1050  1.3790 0.9044000      2.758000  
1 1 1 8  19 68  f 7.1960  1.7650 2.269000       3.529000  
1 1 1 8  19 69  o 4.2120  1.3890 -0.7201000E-01 2.777000  
1 1 1 8  19 70  o 4.4850  1.4670 0.6161000      2.934000  
1 1 1 8  19 71  o 4.3960  1.4450 0.6311000      2.891000  
1 1 1 8  19 72  o 5.3140  1.6090 0.4732000      3.219000  
1 1 1 8  19 73  o 4.9310  1.5340 0.4367000      3.068000  
1 1 1 8  19 74  o 4.4680  1.4580 1.339000       2.917000  
1 1 1 8  19 75  o 3.5480  1.2270 0.4932000      2.453000  
1 1 1 8  19 76  o 3.9630  1.3490 -0.5482000E-01 2.697000  
1 1 1 8  19 77  o 4.2410  1.4350 -0.2612000     2.870000  
1 1 1 8  19 78  f 4.3380  1.5050 0.7818000      3.009000  
1 1 1 8  20 0   o 43.800  0.8930 0.000000       0.000000  
1 1 1 8  20 1   o 26.400  0.6482 -7.491000      1.296000  
1 1 1 8  20 2   o 14.020  0.5087 2.928000       1.017000  
1 1 1 8  20 3   o 15.040  0.5172 0.6482000      1.034000  
1 1 1 8  20 4   o 29.200  0.5122 -0.3282000     1.024000  
1 1 1 8  20 5   o 33.600  0.5130 0.1094000      1.026000  
1 1 1 8  20 6   o 24.040  0.4997 3.461000       0.9994000 
1 1 1 8  20 7   o 25.350  0.4416 -0.2271000     0.8832000 
1 1 1 8  20 8   o 20.840  0.4642 0.7006000      0.9283000 
1 1 1 8  20 9   o 33.950  0.5185 0.3381000      1.037000  
1 1 1 8  20 10  o 11.820  1.0630 -10.73000      2.126000  
1 1 1 8  20 11  o 30.550  0.5244 -1.014000      1.049000  
1 1 1 8  20 12  f 23.970  0.5733 -5.221000      1.147000  
1 1 1 8  20 13  o 34.080  0.5212 0.3244000      1.042000  
1 1 1 8  20 14  o 24.470  0.5233 -1.739000      1.047000  
1 1 1 8  20 15  o 25.790  0.4531 -0.5860000     0.9062000 
1 1 1 8  20 16  o 13.520  0.5975 -2.419000      1.195000  
1 1 1 8  20 17  o 16.350  0.4567 -2.295000      0.9134000 
1 1 1 8  20 18  o 30.960  0.5392 -1.964000      1.078000  
1 1 1 8  20 19  o 11.970  0.7573 -6.317000      1.515000  
1 1 1 8  20 20  o 36.190  0.5537 0.1288000      1.107000  
1 1 1 8  20 21  o 24.340  0.4613 -0.8520000E-01 0.9226000 
1 1 1 8  20 22  o 42.790  0.6326 0.3940000      1.265000  
1 1 1 8  20 23  o 28.240  0.5327 -1.478000      1.065000  
1 1 1 8  20 24  o 4.2400  1.1810 -0.9637000E-01 2.362000  
1 1 1 8  20 25  o 19.400  0.4768 -0.8509000     0.9536000 
1 1 1 8  20 26  o 40.360  0.6082 0.2137000      1.216000  
1 1 1 8  20 27  o 19.160  0.4858 -0.2830000     0.9716000 
1 1 1 8  20 28  o 19.780  0.5161 0.6937000      1.032000  
1 1 1 8  20 29  o 25.590  0.5253 0.6571000      1.051000  
1 1 1 8  20 30  o 15.440  0.5849 -1.879000      1.170000  
1 1 1 8  20 31  f 17.700  0.5507 -0.6849000     1.101000  
1 1 1 8  20 32  o 11.160  0.7637 -0.4401000     1.527000  
1 1 1 8  20 33  o 4.6590  1.2340 0.3714000      2.467000  
1 1 1 8  20 34  o 15.270  0.6051 -3.227000      1.210000  
1 1 1 8  20 35  o 12.330  0.7806 -0.3149000     1.561000  
1 1 1 8  20 36  o 13.790  0.7152 1.302000       1.430000  
1 1 1 8  20 37  o 23.860  0.5938 -0.5378000     1.188000  
1 1 1 8  20 38  o 10.010  0.9807 -2.518000      1.961000  
1 1 1 8  20 39  o 8.0180  1.2270 0.2519000      2.455000  
1 1 1 8  20 40  o 21.410  0.6214 -1.217000      1.243000  
1 1 1 8  20 41  o 10.120  1.0260 1.674000       2.052000  
1 1 1 8  20 42  o 19.470  0.6465 0.1409000E-01  1.293000  
1 1 1 8  20 43  o 9.8760  1.0480 -1.574000      2.096000  
1 1 1 8  20 44  o 7.6540  1.3120 -0.4754000     2.623000  
1 1 1 8  20 45  o 15.510  0.7304 -0.8278000     1.461000  
1 1 1 8  20 46  o 23.800  0.6441 -0.5607000     1.288000  
1 1 1 8  20 47  o 12.200  0.8782 -0.3993000     1.756000  
1 1 1 8  20 48  o 12.660  0.8424 -0.2637000E-01 1.685000  
1 1 1 8  20 49  o 4.3140  1.2900 0.2651000      2.581000  
1 1 1 8  20 50  o 3.9320  1.2290 0.1543000      2.458000  
1 1 1 8  20 51  f 5.4450  1.4010 -0.8303000     2.801000  
1 1 1 8  20 52  o 14.790  0.8122 -0.3232000     1.624000  
1 1 1 8  20 53  o 6.9280  1.4060 2.132000       2.812000  
1 1 1 8  20 54  o 4.3720  1.3110 -0.8033000     2.622000  
1 1 1 8  20 55  o 16.150  0.7890 0.2498000      1.578000  
1 1 1 8  20 56  o 4.6600  1.3470 -0.6601000     2.694000  
1 1 1 8  20 57  o 4.4670  1.3330 -1.050000      2.666000  
1 1 1 8  20 58  o 4.8830  1.4040 -0.1340000E-02 2.808000  
1 1 1 8  20 59  o 4.9080  1.4170 0.2637000E-01  2.834000  
1 1 1 8  20 60  o 9.8160  1.2020 0.8183000      2.404000  
1 1 1 8  20 61  o 7.5810  1.4450 2.075000       2.889000  
1 1 1 8  20 62  o 4.1540  1.2990 -1.661000      2.597000  
1 1 1 8  20 63  o 5.2270  1.4430 -0.1338000     2.886000  
1 1 1 8  20 64  o 5.3410  1.4310 -2.266000      2.861000  
1 1 1 8  20 65  o 5.0360  1.4390 0.7998000      2.878000  
1 1 1 8  20 66  o 4.0650  1.2940 -0.5515000     2.589000  
1 1 1 8  20 67  o 3.9240  1.2750 -0.3795000     2.549000  
1 1 1 8  20 68  o 4.7930  1.4020 -1.059000      2.805000  
1 1 1 8  20 69  o 4.0490  1.3360 -0.5215000     2.672000  
1 1 1 8  20 70  o 4.8800  1.5300 0.5876000      3.061000  
1 1 1 8  20 71  o 4.8280  1.5230 0.3339000      3.046000  
1 1 1 8  20 72  o 3.9530  1.3320 0.3140000      2.664000  
1 1 1 8  20 73  f 4.1570  1.3670 0.7196000      2.733000  
1 1 1 8  20 74  o 3.7360  1.2510 0.5281000E-01  2.503000  
1 1 1 8  20 75  o 5.5310  1.7050 -2.130000      3.411000  
1 1 1 8  21 0   o 18.880  0.7267 0.000000       0.000000  
1 1 1 8  21 1   o 27.300  0.5332 3.021000       1.066000  
1 1 1 8  21 2   o 34.330  0.5240 0.9723000      1.048000  
1 1 1 8  21 3   o 28.660  0.5125 0.8499000      1.025000  
1 1 1 8  21 4   o 32.380  0.5064 0.4703000      1.013000  
1 1 1 8  21 5   o 22.130  0.5889 2.747000       1.178000  
1 1 1 8  21 6   o 9.7240  0.8521 -0.6252000     1.704000  
1 1 1 8  21 7   o 27.230  0.5045 0.9481000      1.009000  
1 1 1 8  21 8   o 36.140  0.5478 -0.3682000     1.096000  
1 1 1 8  21 9   o 18.660  0.5805 -0.4032000     1.161000  
1 1 1 8  21 10  o 37.930  0.5693 -0.1056000     1.139000  
1 1 1 8  21 11  o 26.710  0.6086 -4.346000      1.217000  
1 1 1 8  21 12  o 32.550  0.5541 -1.610000      1.108000  
1 1 1 8  21 13  o 17.090  0.5429 -0.6426000     1.086000  
1 1 1 8  21 14  o 12.260  0.5560 -1.006000      1.112000  
1 1 1 8  21 15  o 11.020  0.5841 0.1669000      1.168000  
1 1 1 8  21 16  o 9.9790  0.6758 3.013000       1.352000  
1 1 1 8  21 17  o 22.800  0.4459 0.7441000      0.8919000 
1 1 1 8  21 18  f 15.730  0.5652 -0.9038000     1.130000  
1 1 1 8  21 19  o 25.430  0.5166 1.715000       1.033000  
1 1 1 8  21 20  o 31.640  0.5134 -0.6297000     1.027000  
1 1 1 8  21 21  o 22.330  0.5479 -0.7592000     1.096000  
1 1 1 8  21 22  o 9.1750  0.9831 6.088000       1.966000  
1 1 1 8  21 23  o 26.270  0.5131 -1.027000      1.026000  
1 1 1 8  21 24  o 17.900  0.5370 2.049000       1.074000  
1 1 1 8  21 25  o 9.5000  0.7389 0.1136000      1.478000  
1 1 1 8  21 26  o 20.630  0.4734 0.2554000E-01  0.9469000 
1 1 1 8  21 27  o 22.570  0.4795 -0.9037000     0.9590000 
1 1 1 8  21 28  f 30.420  0.5222 -0.8817000     1.044000  
1 1 1 8  21 29  o 23.760  0.5651 0.8737000E-01  1.130000  
1 1 1 8  21 30  o 17.570  0.5467 -2.070000      1.093000  
1 1 1 8  21 31  o 10.990  0.7502 0.4303000E-01  1.500000  
1 1 1 8  21 32  o 6.9010  1.1720 -2.091000      2.343000  
1 1 1 8  21 33  o 17.250  0.5653 -1.819000      1.131000  
1 1 1 8  21 34  o 20.180  0.6062 1.353000       1.212000  
1 1 1 8  21 35  o 7.5310  1.1090 -0.1793000     2.218000  
1 1 1 8  21 36  o 7.2360  1.1420 -0.2198000     2.283000  
1 1 1 8  21 37  o 4.3230  1.2430 0.7050000      2.486000  
1 1 1 8  21 38  o 4.3090  1.2640 0.1388000      2.529000  
1 1 1 8  21 39  o 4.4780  1.2810 -0.7980000     2.562000  
1 1 1 8  21 40  o 17.450  0.6731 0.9317000      1.346000  
1 1 1 8  21 41  o 20.800  0.6265 1.230000       1.253000  
1 1 1 8  21 42  f 11.930  0.8841 -0.9057000     1.768000  
1 1 1 8  21 43  o 11.250  0.9304 0.9365000      1.861000  
1 1 1 8  21 44  o 6.2180  1.3810 0.2452000      2.761000  
1 1 1 8  21 45  o 11.810  0.9156 1.453000       1.831000  
1 1 1 8  21 46  o 10.860  0.9640 1.208000       1.928000  
1 1 1 8  21 47  o 13.290  0.8251 0.6500000      1.650000  
1 1 1 8  21 48  o 4.9460  1.3560 -1.307000      2.712000  
1 1 1 8  21 49  o 6.2170  1.4160 0.9035000      2.832000  
1 1 1 8  21 50  o 16.090  0.7540 0.8804000      1.508000  
1 1 1 8  21 51  o 12.280  0.9539 -2.151000      1.908000  
1 1 1 8  21 52  o 5.0990  1.4040 1.111000       2.808000  
1 1 1 8  21 53  o 6.4600  1.4140 -1.407000      2.829000  
1 1 1 8  21 54  f 5.2380  1.3990 -0.6359000     2.797000  
1 1 1 8  21 55  o 8.8890  1.2110 0.4213000      2.422000  
1 1 1 8  21 56  o 4.6030  1.3430 1.234000       2.687000  
1 1 1 8  21 57  o 4.7900  1.3810 0.4133000      2.762000  
1 1 1 8  21 58  o 7.3050  1.4480 -1.013000      2.895000  
1 1 1 8  21 59  o 4.2910  1.3050 0.7867000      2.610000  
1 1 1 8  21 60  o 4.6800  1.3860 0.2273000E-01  2.772000  
1 1 1 8  21 61  o 4.9120  1.3770 -2.295000      2.754000  
1 1 1 8  21 62  o 5.2240  1.4610 -0.5586000     2.921000  
1 1 1 8  21 63  o 6.9280  1.4600 -2.103000      2.920000  
1 1 1 8  21 64  o 3.7410  1.2350 0.5884000      2.469000  
1 1 1 8  21 65  o 5.8910  1.5130 0.9271000E-01  3.026000  
1 1 1 8  21 66  o 4.2910  1.3140 -1.329000      2.629000  
1 1 1 8  21 67  o 4.4850  1.3600 -0.5016000     2.720000  
1 1 1 8  21 68  o 4.6490  1.3630 1.715000       2.726000  
1 1 1 8  21 69  o 3.8190  1.2390 -0.1391000     2.478000  
1 1 1 8  21 70  o 3.4690  1.1650 0.3101000      2.331000  
1 1 1 8  21 71  o 4.3230  1.2820 1.840000       2.564000  
1 1 1 8  21 72  o 3.6310  1.1850 1.477000       2.370000  
1 1 1 8  21 73  o 3.5370  1.2690 -0.1288000E-01 2.538000  
1 1 1 8  22 0   o 40.120  0.8438 -0.000000      0.000000  
1 1 1 8  22 1   o 21.770  0.6506 0.1503000      1.301000  
1 1 1 8  22 2   o 11.260  0.5660 1.375000       1.132000  
1 1 1 8  22 3   o 11.280  0.5799 1.209000       1.160000  
1 1 1 8  22 4   o 15.420  0.5186 -0.1816000     1.037000  
1 1 1 8  22 5   o 28.470  0.5155 0.3437000      1.031000  
1 1 1 8  22 6   o 8.8990  0.8422 3.738000       1.684000  
1 1 1 8  22 7   o 9.7640  0.9969 -3.969000      1.994000  
1 1 1 8  22 8   o 36.040  0.5942 -0.1705000     1.188000  
1 1 1 8  22 9   o 25.480  0.5880 3.543000       1.176000  
1 1 1 8  22 10  o 15.730  0.5613 0.1069000      1.123000  
1 1 1 8  22 11  o 24.300  0.4540 -0.2364000     0.9080000 
1 1 1 8  22 12  o 9.2620  0.9370 3.585000       1.874000  
1 1 1 8  22 13  o 23.720  0.4913 0.5895000      0.9825000 
1 1 1 8  22 14  o 31.100  0.5050 -0.3302000     1.010000  
1 1 1 8  22 15  o 15.680  0.6329 -6.728000      1.266000  
1 1 1 8  22 16  o 25.000  0.4588 -0.6199000E-01 0.9176000 
1 1 1 8  22 17  o 26.490  0.4765 3.076000       0.9531000 
1 1 1 8  22 18  o 18.510  0.5584 -0.1812000     1.117000  
1 1 1 8  22 19  o 15.520  0.5017 0.2747000      1.003000  
1 1 1 8  22 20  o 11.460  0.6156 -0.3550000     1.231000  
1 1 1 8  22 21  o 11.170  0.6206 -0.2794000     1.241000  
1 1 1 8  22 22  f 9.4950  0.7423 0.2010000      1.485000  
1 1 1 8  22 23  o 20.340  0.4655 -0.2841000     0.9310000 
1 1 1 8  22 24  o 10.480  0.7537 1.991000       1.507000  
1 1 1 8  22 25  f 10.260  0.7005 0.1487000      1.401000  
1 1 1 8  22 26  o 12.460  0.5985 -1.206000      1.197000  
1 1 1 8  22 27  o 18.690  0.4908 0.2387000E-01  0.9815000 
1 1 1 8  22 28  f 7.3220  0.9262 0.9162000      1.852000  
1 1 1 8  22 29  o 9.9240  0.7369 -2.073000      1.474000  
1 1 1 8  22 30  o 6.5840  1.0860 0.4664000      2.171000  
1 1 1 8  22 31  o 23.660  0.5341 0.3068000E-01  1.068000  
1 1 1 8  22 32  o 8.6870  0.9518 -1.948000      1.904000  
1 1 1 8  22 33  o 18.860  0.5571 0.2516000      1.114000  
1 1 1 8  22 34  o 6.0290  1.2260 -1.871000      2.451000  
1 1 1 8  22 35  o 13.590  0.6440 -1.047000      1.288000  
1 1 1 8  22 36  o 4.5270  1.2330 -0.4954000     2.467000  
1 1 1 8  22 37  o 3.6980  1.1290 -1.366000      2.258000  
1 1 1 8  22 38  o 5.2300  1.3440 -0.4874000     2.689000  
1 1 1 8  22 39  o 4.9310  1.3310 -0.3769000     2.662000  
1 1 1 8  22 40  o 11.720  0.8809 -0.2818000     1.762000  
1 1 1 8  22 41  o 6.5370  1.3370 -2.748000      2.674000  
1 1 1 8  22 42  o 8.0680  1.2410 2.672000       2.483000  
1 1 1 8  22 43  o 11.910  0.9010 2.227000       1.802000  
1 1 1 8  22 44  o 12.190  0.8803 0.8295000      1.761000  
1 1 1 8  22 45  o 11.150  0.9262 1.231000       1.852000  
1 1 1 8  22 46  o 10.520  0.9769 0.8283000      1.954000  
1 1 1 8  22 47  o 4.5360  1.2960 1.118000       2.591000  
1 1 1 8  22 48  o 4.9650  1.3530 0.4342000      2.706000  
1 1 1 8  22 49  o 5.0730  1.3620 0.3198000      2.723000  
1 1 1 8  22 50  o 5.0670  1.3660 1.114000       2.732000  
1 1 1 8  22 51  o 4.0050  1.2550 0.3099000      2.511000  
1 1 1 8  22 52  o 4.4300  1.3120 -0.7238000     2.623000  
1 1 1 8  22 53  o 7.0820  1.4050 -0.5439000     2.810000  
1 1 1 8  22 54  o 8.5350  1.2830 -0.6383000     2.566000  
1 1 1 8  22 55  o 4.6830  1.3630 -0.6381000E-01 2.725000  
1 1 1 8  22 56  o 4.5360  1.3520 0.6849000      2.704000  
1 1 1 8  22 57  o 3.4960  1.1670 -0.3244000     2.335000  
1 1 1 8  22 58  o 5.3610  1.4340 -1.587000      2.868000  
1 1 1 8  22 59  o 3.8650  1.2400 -1.257000      2.479000  
1 1 1 8  22 60  o 8.3510  1.3860 -1.302000      2.771000  
1 1 1 8  22 61  o 6.2830  1.4800 2.209000       2.959000  
1 1 1 8  22 62  o 5.7010  1.4270 -3.059000      2.854000  
1 1 1 8  22 63  o 4.6760  1.3790 0.9223000      2.758000  
1 1 1 8  22 64  o 4.6800  1.3620 -1.501000      2.723000  
1 1 1 8  22 65  o 5.3630  1.3840 2.823000       2.769000  
1 1 1 8  22 66  o 4.7130  1.3570 -1.404000      2.714000  
1 1 1 8  22 67  o 3.8600  1.2440 0.1917000      2.487000  
1 1 1 8  22 68  o 3.8170  1.2070 1.768000       2.413000  
1 1 1 8  22 69  o 3.4130  1.1300 -0.8707000     2.260000  
1 1 1 8  22 70  o 3.9250  1.3840 0.6016000      2.767000  
1 1 1 8  23 0   o 24.820  0.6528 0.000000       0.000000  
1 1 1 8  23 1   o 30.860  0.4975 -0.6882000     0.9950000 
1 1 1 8  23 2   o 13.630  0.6150 -2.603000      1.230000  
1 1 1 8  23 3   o 10.290  0.6333 -0.3897000     1.267000  
1 1 1 8  23 4   o 12.120  0.5573 2.115000       1.115000  
1 1 1 8  23 5   o 19.030  0.4536 -0.4499000     0.9071000 
1 1 1 8  23 6   o 13.040  0.5319 -0.7501000     1.064000  
1 1 1 8  23 7   o 17.380  0.4641 -1.661000      0.9282000 
1 1 1 8  23 8   f 20.100  0.4516 -0.8422000     0.9032000 
1 1 1 8  23 9   o 18.330  0.4563 0.1086000      0.9126000 
1 1 1 8  23 10  o 15.340  0.6308 -3.736000      1.262000  
1 1 1 8  23 11  o 17.340  0.4591 -0.2883000     0.9182000 
1 1 1 8  23 12  o 12.560  0.7313 3.191000       1.463000  
1 1 1 8  23 13  o 26.890  0.4711 0.5844000E-01  0.9421000 
1 1 1 8  23 14  o 12.400  0.9500 -6.075000      1.900000  
1 1 1 8  23 15  f 21.780  0.4948 1.089000       0.9895000 
1 1 1 8  23 16  o 30.410  0.5031 0.4662000      1.006000  
1 1 1 8  23 17  f 16.930  0.5661 -5.018000      1.132000  
1 1 1 8  23 18  o 12.250  0.5697 0.7659000E-01  1.139000  
1 1 1 8  23 19  o 8.1180  0.9455 -1.845000      1.891000  
1 1 1 8  23 20  o 22.450  0.4633 0.4175000E-01  0.9266000 
1 1 1 8  23 21  o 10.030  0.7291 1.586000       1.458000  
1 1 1 8  23 22  o 9.1780  0.7665 -1.026000      1.533000  
1 1 1 8  23 23  o 11.020  0.6408 0.2972000      1.282000  
1 1 1 8  23 24  o 11.270  0.6296 -0.1713000     1.259000  
1 1 1 8  23 25  o 21.350  0.4699 -0.5629000     0.9399000 
1 1 1 8  23 26  o 12.500  0.5888 1.190000       1.178000  
1 1 1 8  23 27  o 8.5200  0.8562 1.336000       1.712000  
1 1 1 8  23 28  o 8.5330  0.8553 -0.3997000     1.711000  
1 1 1 8  23 29  f 6.5940  1.0450 -1.105000      2.089000  
1 1 1 8  23 30  o 5.6200  1.1360 -1.070000      2.272000  
1 1 1 8  23 31  o 18.940  0.4969 -0.6778000     0.9938000 
1 1 1 8  23 32  o 22.390  0.4912 -0.9372000E-01 0.9825000 
1 1 1 8  23 33  o 9.9390  1.0500 -6.605000      2.099000  
1 1 1 8  23 34  o 13.290  0.6788 0.2390000      1.358000  
1 1 1 8  23 35  o 4.0910  1.1710 -2.223000      2.342000  
1 1 1 8  23 36  o 5.2840  1.2880 0.1769000E-01  2.577000  
1 1 1 8  23 37  o 11.560  0.7655 -0.2795000     1.531000  
1 1 1 8  23 38  o 19.290  0.5777 1.094000       1.155000  
1 1 1 8  23 39  o 11.850  0.8865 1.167000       1.773000  
1 1 1 8  23 40  o 11.290  0.9104 -1.826000      1.821000  
1 1 1 8  23 41  o 5.2870  1.3630 -0.9220000     2.727000  
1 1 1 8  23 42  o 10.160  1.0470 2.539000       2.093000  
1 1 1 8  23 43  o 4.4970  1.3190 0.4208000      2.638000  
1 1 1 8  23 44  o 9.0840  1.1970 -0.7681000     2.395000  
1 1 1 8  23 45  o 4.5300  1.2180 -2.776000      2.435000  
1 1 1 8  23 46  o 4.2560  1.2750 0.2485000      2.551000  
1 1 1 8  23 47  o 12.450  0.8714 0.7895000      1.743000  
1 1 1 8  23 48  o 9.3680  1.1530 -2.825000      2.305000  
1 1 1 8  23 49  o 5.8680  1.4090 -0.2151000     2.818000  
1 1 1 8  23 50  o 6.7780  1.3130 -3.633000      2.626000  
1 1 1 8  23 51  o 6.8590  1.3750 2.961000       2.751000  
1 1 1 8  23 52  o 7.4330  1.4260 -1.944000      2.852000  
1 1 1 8  23 53  o 5.3500  1.4360 0.1777000      2.872000  
1 1 1 8  23 54  o 8.0900  1.3700 -0.1219000     2.741000  
1 1 1 8  23 55  f 5.6510  1.4310 0.7729000      2.863000  
1 1 1 8  23 56  o 4.7720  1.3840 -1.342000      2.767000  
1 1 1 8  23 57  o 3.5840  1.1900 -0.3634000     2.379000  
1 1 1 8  23 58  o 6.0730  1.3980 2.847000       2.796000  
1 1 1 8  23 59  o 3.4890  1.1670 -1.149000      2.334000  
1 1 1 8  23 60  o 4.6500  1.3500 1.359000       2.700000  
1 1 1 8  23 61  o 3.3510  1.1290 0.3394000E-02  2.257000  
1 1 1 8  23 62  o 7.8960  1.3780 1.615000       2.756000  
1 1 1 8  23 63  o 3.9010  1.2470 0.5323000      2.494000  
1 1 1 8  23 64  f 6.5280  1.4100 -2.330000      2.820000  
1 1 1 8  23 65  o 3.5780  1.1730 -0.1913000     2.345000  
1 1 1 8  23 66  o 4.1580  1.2780 -0.7347000     2.556000  
1 1 1 8  23 67  o 3.3700  1.7190 ?              ?         
1 1 1 8  24 0   o 8.6990  1.3390 -0.000000      0.000000  
1 1 1 8  24 1   o 16.830  0.4648 0.1669000      0.9295000 
1 1 1 8  24 2   o 9.5410  0.6912 -0.6400000     1.382000  
1 1 1 8  24 3   o 16.280  0.4809 0.7829000      0.9618000 
1 1 1 8  24 4   o 18.630  0.4494 -0.4297000     0.8988000 
1 1 1 8  24 5   o 13.170  0.7336 -5.731000      1.467000  
1 1 1 8  24 6   o 19.210  0.4544 -0.1685000     0.9088000 
1 1 1 8  24 7   o 11.480  0.5828 0.5624000      1.166000  
1 1 1 8  24 8   o 8.0760  0.8346 0.7146000      1.669000  
1 1 1 8  24 9   o 9.4980  0.6861 -0.4012000     1.372000  
1 1 1 8  24 10  o 17.120  0.4690 0.3939000      0.9381000 
1 1 1 8  24 11  o 17.890  0.5183 0.6138000      1.037000  
1 1 1 8  24 12  f 11.430  0.6358 2.052000       1.272000  
1 1 1 8  24 13  o 6.7890  0.9951 -0.9730000     1.990000  
1 1 1 8  24 14  o 6.5550  1.0050 0.7593000      2.011000  
1 1 1 8  24 15  o 14.760  0.5006 -0.2929000     1.001000  
1 1 1 8  24 16  o 12.830  0.5611 0.3431000      1.122000  
1 1 1 8  24 17  o 13.460  0.6576 -4.678000      1.315000  
1 1 1 8  24 18  o 30.260  0.5088 -0.2214000E-01 1.018000  
1 1 1 8  24 19  o 20.280  0.5928 3.401000       1.186000  
1 1 1 8  24 20  f 11.690  0.6230 -1.218000      1.246000  
1 1 1 8  24 21  o 5.4190  1.0860 -1.937000      2.172000  
1 1 1 8  24 22  o 5.8150  1.0870 -0.5940000     2.174000  
1 1 1 8  24 23  o 10.560  0.6748 -1.768000      1.350000  
1 1 1 8  24 24  f 10.960  0.6655 0.3959000      1.331000  
1 1 1 8  24 25  o 5.9520  1.0190 -3.852000      2.039000  
1 1 1 8  24 26  f 12.170  0.6011 0.7901000      1.202000  
1 1 1 8  24 27  o 13.260  0.5789 0.5421000E-01  1.158000  
1 1 1 8  24 28  o 7.2080  0.9839 -0.8645000     1.968000  
1 1 1 8  24 29  o 4.9430  1.1750 0.6330000      2.351000  
1 1 1 8  24 30  f 6.0180  1.1190 -0.9445000     2.239000  
1 1 1 8  24 31  o 4.0990  1.1210 -1.365000      2.242000  
1 1 1 8  24 32  o 4.1840  1.1650 -0.7652000     2.330000  
1 1 1 8  24 33  o 4.3970  1.1550 -0.1573000     2.311000  
1 1 1 8  24 34  o 6.9110  1.1870 -0.4843000     2.375000  
1 1 1 8  24 35  o 3.7050  1.1450 0.2298000      2.289000  
1 1 1 8  24 36  o 12.300  0.7297 0.6270000      1.459000  
1 1 1 8  24 37  o 10.260  0.8523 -1.437000      1.705000  
1 1 1 8  24 38  o 7.0730  1.1760 -1.065000      2.352000  
1 1 1 8  24 39  o 4.7940  1.1840 1.810000       2.368000  
1 1 1 8  24 40  o 8.5220  1.1040 0.2257000      2.208000  
1 1 1 8  24 41  o 4.2920  1.2660 0.1990000      2.531000  
1 1 1 8  24 42  o 6.8720  1.3430 0.6968000E-01  2.686000  
1 1 1 8  24 43  o 5.3220  1.3620 0.3036000      2.723000  
1 1 1 8  24 44  o 4.0860  1.2270 -1.704000      2.454000  
1 1 1 8  24 45  f 4.2270  1.2910 0.1761000      2.582000  
1 1 1 8  24 46  o 3.6430  1.1840 -0.8198000     2.369000  
1 1 1 8  24 47  o 11.220  1.0080 1.930000       2.015000  
1 1 1 8  24 48  o 7.4320  1.2570 5.134000       2.514000  
1 1 1 8  24 49  o 7.6510  1.3740 0.8576000      2.749000  
1 1 1 8  24 50  o 5.8700  1.3800 -2.535000      2.759000  
1 1 1 8  24 51  o 4.2170  1.2970 -0.2946000     2.595000  
1 1 1 8  24 52  o 5.1000  1.4010 -1.061000      2.803000  
1 1 1 8  24 53  o 3.8540  1.2400 0.8596000E-01  2.480000  
1 1 1 8  24 54  o 5.1470  1.4190 0.1015000      2.839000  
1 1 1 8  24 55  o 4.2540  1.2890 1.313000       2.577000  
1 1 1 8  24 56  o 3.6370  1.1840 -0.8800000     2.369000  
1 1 1 8  24 57  f 5.5830  1.4350 1.706000       2.870000  
1 1 1 8  24 58  o 4.2650  1.3100 0.1193000      2.620000  
1 1 1 8  24 59  f 4.1850  1.2830 -1.019000      2.565000  
1 1 1 8  24 60  o 6.6360  1.3550 -2.868000      2.711000  
1 1 1 8  24 61  o 3.2520  1.1000 0.1902000      2.200000  
1 1 1 8  24 62  o 4.2470  1.2830 -0.1526000     2.565000  
1 1 1 8  24 63  o 3.9580  1.3880 -0.4139000     2.775000  
1 1 1 8  25 0   o 2.8500  1.6860 0.000000       0.000000  
1 1 1 8  25 1   o 8.9470  0.7298 -0.1002000     1.460000  
1 1 1 8  25 2   o 11.590  0.5782 -0.4199000     1.156000  
1 1 1 8  25 3   o 14.020  0.5132 0.8365000      1.026000  
1 1 1 8  25 4   o 9.4450  0.8503 5.413000       1.701000  
1 1 1 8  25 5   o 13.640  0.5266 -0.5641000     1.053000  
1 1 1 8  25 6   o 12.330  0.5656 -0.3342000     1.131000  
1 1 1 8  25 7   f 10.820  0.6336 -0.7959000     1.267000  
1 1 1 8  25 8   o 11.240  0.6111 -0.4108000E-01 1.222000  
1 1 1 8  25 9   o 11.490  0.6002 -0.5925000     1.200000  
1 1 1 8  25 10  o 4.9520  1.1040 -0.8378000     2.208000  
1 1 1 8  25 11  o 6.2470  1.0340 2.337000       2.068000  
1 1 1 8  25 12  o 7.2010  0.9433 0.9136000      1.887000  
1 1 1 8  25 13  o 12.360  0.5674 -1.326000      1.135000  
1 1 1 8  25 14  o 24.870  0.4761 -0.5141000     0.9521000 
1 1 1 8  25 15  o 13.820  0.6147 -1.258000      1.229000  
1 1 1 8  25 16  o 9.4080  0.7305 -1.944000      1.461000  
1 1 1 8  25 17  o 8.1340  0.8604 -0.4873000     1.721000  
1 1 1 8  25 18  o 12.490  0.5770 0.8451000E-01  1.154000  
1 1 1 8  25 19  o 7.9120  0.8800 0.4563000      1.760000  
1 1 1 8  25 20  o 10.670  0.6604 -0.5720000     1.321000  
1 1 1 8  25 21  o 6.5900  1.0290 -1.474000      2.058000  
1 1 1 8  25 22  o 14.390  0.5509 -0.7886000     1.102000  
1 1 1 8  25 23  o 14.340  0.5460 -1.327000      1.092000  
1 1 1 8  25 24  o 20.660  0.4866 -1.458000      0.9733000 
1 1 1 8  25 25  o 15.030  0.6301 -2.216000      1.260000  
1 1 1 8  25 26  f 11.240  0.6613 -1.969000      1.323000  
1 1 1 8  25 27  o 11.040  0.6838 -1.019000      1.368000  
1 1 1 8  25 28  o 4.4270  1.1550 -0.4019000     2.310000  
1 1 1 8  25 29  o 3.9850  1.1260 0.1474000      2.252000  
1 1 1 8  25 30  o 5.1140  1.1590 0.6877000      2.318000  
1 1 1 8  25 31  o 10.090  0.7265 -0.7897000     1.453000  
1 1 1 8  25 32  o 8.7500  0.8664 0.3586000      1.733000  
1 1 1 8  25 33  o 4.7880  1.0860 -2.926000      2.171000  
1 1 1 8  25 34  o 6.9450  1.1220 3.489000       2.244000  
1 1 1 8  25 35  o 5.5500  1.2690 -1.045000      2.539000  
1 1 1 8  25 36  o 11.930  0.7675 -0.9918000     1.535000  
1 1 1 8  25 37  o 5.2000  1.2780 0.1253000E-01  2.556000  
1 1 1 8  25 38  o 4.7960  1.2570 -2.037000      2.514000  
1 1 1 8  25 39  o 6.5570  1.1970 2.517000       2.393000  
1 1 1 8  25 40  o 3.6350  1.1420 -1.646000      2.284000  
1 1 1 8  25 41  o 4.8880  1.3400 1.478000       2.679000  
1 1 1 8  25 42  o 7.5590  1.2450 -4.236000      2.491000  
1 1 1 8  25 43  o 5.4720  1.3210 -2.668000      2.642000  
1 1 1 8  25 44  o 3.9360  1.2260 0.9642000      2.453000  
1 1 1 8  25 45  o 8.1510  1.3120 1.029000       2.625000  
1 1 1 8  25 46  o 4.8230  1.3720 -0.4892000     2.744000  
1 1 1 8  25 47  o 3.7220  1.2010 0.6416000      2.402000  
1 1 1 8  25 48  o 4.4490  1.3350 0.2860000      2.669000  
1 1 1 8  25 49  o 3.5910  1.1830 -0.7497000     2.367000  
1 1 1 8  25 50  o 5.2290  1.3760 2.043000       2.752000  
1 1 1 8  25 51  o 4.2510  1.2870 -1.317000      2.573000  
1 1 1 8  25 52  f 3.9670  1.2410 1.036000       2.483000  
1 1 1 8  25 53  o 7.0910  1.4220 0.8790000      2.844000  
1 1 1 8  25 54  o 4.8300  1.3820 -1.233000      2.764000  
1 1 1 8  25 55  o 4.0380  1.2730 0.8031000      2.546000  
1 1 1 8  25 56  o 3.9930  1.2500 -0.9617000     2.500000  
1 1 1 8  25 57  o 3.6990  1.1660 1.819000       2.332000  
1 1 1 8  25 58  o 4.2730  1.3010 -0.3503000     2.603000  
1 1 1 8  25 59  o 4.4640  1.8600 ?              ?         
1 1 1 8  26 0   f 5.5880  1.7590 -0.000000      0.000000  
1 1 1 8  26 1   o 10.380  0.6646 0.9563000      1.329000  
1 1 1 8  26 2   o 8.6380  0.7930 -0.3432000     1.586000  
1 1 1 8  26 3   o 10.830  0.6292 -0.6835000     1.258000  
1 1 1 8  26 4   o 7.0480  0.9349 0.2062000      1.870000  
1 1 1 8  26 5   o 9.3930  0.7455 -0.8144000     1.491000  
1 1 1 8  26 6   o 5.5980  1.0640 -2.327000      2.129000  
1 1 1 8  26 7   o 6.5390  0.9869 -1.332000      1.974000  
1 1 1 8  26 8   o 10.770  0.6569 -0.7046000     1.314000  
1 1 1 8  26 9   o 8.7340  0.8196 -2.167000      1.639000  
1 1 1 8  26 10  o 7.6860  0.9269 -2.405000      1.854000  
1 1 1 8  26 11  o 6.7150  0.9739 -1.892000      1.948000  
1 1 1 8  26 12  o 9.2330  0.7595 -0.9955000     1.519000  
1 1 1 8  26 13  o 5.2110  1.0560 2.935000       2.111000  
1 1 1 8  26 14  o 7.5650  0.9107 0.1776000      1.821000  
1 1 1 8  26 15  o 4.5360  1.1140 -0.8148000     2.227000  
1 1 1 8  26 16  o 3.6590  1.0640 -0.7453000     2.128000  
1 1 1 8  26 17  o 6.0230  1.0970 -1.026000      2.194000  
1 1 1 8  26 18  o 10.340  0.6682 0.2243000      1.336000  
1 1 1 8  26 19  o 10.660  0.6836 -0.5842000E-01 1.367000  
1 1 1 8  26 20  o 6.2770  1.0650 0.3735000      2.129000  
1 1 1 8  26 21  o 6.4330  1.0410 -0.5318000     2.082000  
1 1 1 8  26 22  f 13.520  0.5625 -0.1332000     1.125000  
1 1 1 8  26 23  o 5.8220  1.1470 1.052000       2.294000  
1 1 1 8  26 24  o 6.5030  1.0860 2.078000       2.171000  
1 1 1 8  26 25  o 6.9180  1.0270 0.3555000      2.054000  
1 1 1 8  26 26  o 5.5220  1.1710 -0.2614000     2.343000  
1 1 1 8  26 27  o 14.320  0.5566 0.2246000      1.113000  
1 1 1 8  26 28  o 5.3290  1.1580 1.988000       2.316000  
1 1 1 8  26 29  o 4.7160  1.1360 -1.826000      2.272000  
1 1 1 8  26 30  o 7.4840  0.9887 -0.6691000     1.977000  
1 1 1 8  26 31  o 3.8810  1.1060 -1.184000      2.212000  
1 1 1 8  26 32  o 3.7080  1.0960 1.616000       2.193000  
1 1 1 8  26 33  f 8.4410  0.9625 2.286000       1.925000  
1 1 1 8  26 34  o 11.460  0.6995 -0.9900000     1.399000  
1 1 1 8  26 35  o 5.2230  1.2210 -3.106000      2.442000  
1 1 1 8  26 36  o 10.080  1.0570 5.001000       2.114000  
1 1 1 8  26 37  o 4.9520  1.2430 0.9980000      2.487000  
1 1 1 8  26 38  o 5.2880  1.2970 -0.5720000     2.593000  
1 1 1 8  26 39  o 9.3670  0.9690 0.5395000      1.938000  
1 1 1 8  26 40  o 5.4970  1.3220 -1.576000      2.644000  
1 1 1 8  26 41  o 4.0190  1.2520 -0.6429000     2.505000  
1 1 1 8  26 42  o 4.4970  1.3090 1.591000       2.619000  
1 1 1 8  26 43  o 4.3360  1.2870 1.186000       2.573000  
1 1 1 8  26 44  o 5.6220  1.3430 -2.396000      2.687000  
1 1 1 8  26 45  o 4.9150  1.3620 1.161000       2.724000  
1 1 1 8  26 46  o 5.9800  1.3540 -2.604000      2.709000  
1 1 1 8  26 47  o 4.7510  1.3560 -0.2422000     2.712000  
1 1 1 8  26 48  o 4.4640  1.3290 -0.5750000     2.658000  
1 1 1 8  26 49  o 4.2810  1.2910 1.037000       2.583000  
1 1 1 8  26 50  o 3.8560  1.2450 -0.6637000     2.490000  
1 1 1 8  26 51  o 4.3330  1.3410 0.1851000      2.682000  
1 1 1 8  26 52  o 3.1160  1.0700 0.3292000      2.141000  
1 1 1 8  26 53  o 4.2070  1.2900 -0.3201000     2.580000  
1 1 1 8  26 54  o 4.8770  1.3760 0.2359000      2.753000  
1 1 1 8  26 55  o 4.3010  2.0060 ?              ?         
1 1 1 8  27 0   o 3.9690  1.9340 -0.000000      0.000000  
1 1 1 8  27 1   f 8.3810  0.8309 0.3393000      1.662000  
1 1 1 8  27 2   o 8.3000  0.8433 -2.359000      1.687000  
1 1 1 8  27 3   o 8.2590  0.8316 0.8389000      1.663000  
1 1 1 8  27 4   f 6.9750  0.9793 -0.6258000     1.959000  
1 1 1 8  27 5   o 9.3520  0.7516 -1.073000      1.503000  
1 1 1 8  27 6   o 10.940  0.6424 0.9302000      1.285000  
1 1 1 8  27 7   o 8.9490  0.7845 1.030000       1.569000  
1 1 1 8  27 8   o 4.4500  1.1150 -0.9316000     2.229000  
1 1 1 8  27 9   o 4.0640  1.1210 -0.6111000     2.242000  
1 1 1 8  27 10  o 6.8150  0.9955 1.479000       1.991000  
1 1 1 8  27 11  o 7.8210  0.8941 -0.7033000     1.788000  
1 1 1 8  27 12  o 11.100  0.6467 0.4038000      1.293000  
1 1 1 8  27 13  o 11.530  0.6382 -0.2352000     1.276000  
1 1 1 8  27 14  o 9.0250  0.7647 -1.983000      1.529000  
1 1 1 8  27 15  o 7.1690  0.9796 -0.7192000     1.959000  
1 1 1 8  27 16  o 12.610  0.5766 0.4058000      1.153000  
1 1 1 8  27 17  o 6.2030  1.0810 2.156000       2.162000  
1 1 1 8  27 18  o 5.3580  1.0840 -2.718000      2.167000  
1 1 1 8  27 19  o 9.7740  0.7403 0.8531000      1.481000  
1 1 1 8  27 20  o 5.0840  1.1270 -0.8292000E-01 2.255000  
1 1 1 8  27 21  o 7.4300  0.9640 -2.458000      1.928000  
1 1 1 8  27 22  o 5.2750  1.1570 -0.6625000     2.314000  
1 1 1 8  27 23  f 6.4020  1.0970 -2.323000      2.193000  
1 1 1 8  27 24  o 10.460  0.7120 -0.6540000     1.424000  
1 1 1 8  27 25  o 6.9270  1.0580 2.959000       2.117000  
1 1 1 8  27 26  f 5.4450  1.1880 -0.9574000     2.377000  
1 1 1 8  27 27  o 4.6930  1.2270 -0.2575000     2.454000  
1 1 1 8  27 28  o 5.7090  1.1410 -2.002000      2.282000  
1 1 1 8  27 29  o 7.9750  0.9745 0.3808000      1.949000  
1 1 1 8  27 30  o 7.0890  1.0470 -1.152000      2.094000  
1 1 1 8  27 31  o 9.3810  0.8481 0.9303000      1.696000  
1 1 1 8  27 32  o 4.8940  1.2230 -0.4372000     2.446000  
1 1 1 8  27 33  o 4.7670  1.1590 1.779000       2.317000  
1 1 1 8  27 34  o 5.2010  1.2020 0.7987000      2.404000  
1 1 1 8  27 35  f 3.7940  1.1080 -0.6947000     2.217000  
1 1 1 8  27 36  o 2.9320  0.9902 -0.1653000     1.980000  
1 1 1 8  27 37  o 5.8890  1.2330 1.391000       2.466000  
1 1 1 8  27 38  o 3.8450  1.1750 0.2238000E-01  2.349000  
1 1 1 8  27 39  o 3.6610  1.1340 0.4506000      2.268000  
1 1 1 8  27 40  o 9.3460  0.9980 1.678000       1.996000  
1 1 1 8  27 41  o 3.3980  1.1080 -1.515000      2.216000  
1 1 1 8  27 42  o 4.7570  1.3560 -0.5712000     2.712000  
1 1 1 8  27 43  o 6.5540  1.4310 -1.266000      2.862000  
1 1 1 8  27 44  o 4.5830  1.2560 2.414000       2.511000  
1 1 1 8  27 45  o 5.2030  1.3850 -0.8780000     2.770000  
1 1 1 8  27 46  o 3.9350  1.2310 -0.2243000     2.462000  
1 1 1 8  27 47  o 5.4860  1.3970 0.2140000      2.794000  
1 1 1 8  27 48  o 3.7420  1.2000 -0.2128000     2.400000  
1 1 1 8  27 49  o 4.3540  1.2840 1.673000       2.567000  
1 1 1 8  27 50  o 4.5370  2.2100 ?              ?         
1 1 1 8  27 51  o 4.0050  1.9960 ?              ?         
1 1 1 8  28 0   o 5.1700  1.9840 -0.000000      0.000000  
1 1 1 8  28 1   o 8.1030  0.8929 0.6752000      1.786000  
1 1 1 8  28 2   o 11.630  0.6285 -0.5964000     1.257000  
1 1 1 8  28 3   o 6.6480  1.0410 -0.6904000     2.082000  
1 1 1 8  28 4   f 6.2220  1.0850 -0.3868000     2.169000  
1 1 1 8  28 5   o 10.840  0.6773 0.2010000      1.355000  
1 1 1 8  28 6   o 10.470  0.7005 1.125000       1.401000  
1 1 1 8  28 7   o 7.1040  1.0080 -0.9781000     2.016000  
1 1 1 8  28 8   o 6.4140  1.0660 1.865000       2.132000  
1 1 1 8  28 9   o 12.250  0.6060 0.5638000      1.212000  
1 1 1 8  28 10  o 12.460  0.6307 -0.4038000     1.261000  
1 1 1 8  28 11  o 14.010  0.5702 0.3036000      1.140000  
1 1 1 8  28 12  o 15.410  0.5398 1.523000       1.080000  
1 1 1 8  28 13  o 9.0580  0.8008 0.3359000      1.602000  
1 1 1 8  28 14  o 7.1900  0.9998 0.3890000      2.000000  
1 1 1 8  28 15  o 4.4270  1.1580 -0.4444000     2.316000  
1 1 1 8  28 16  o 4.4660  1.0580 2.550000       2.115000  
1 1 1 8  28 17  o 4.1830  1.1360 0.6008000      2.272000  
1 1 1 8  28 18  o 8.5210  0.8433 0.5451000      1.687000  
1 1 1 8  28 19  o 8.8050  0.8717 0.1872000      1.743000  
1 1 1 8  28 20  o 14.010  0.5729 -2.670000      1.146000  
1 1 1 8  28 21  o 9.8660  0.7573 0.4912000      1.515000  
1 1 1 8  28 22  o 10.580  0.6947 0.9552000E-01  1.389000  
1 1 1 8  28 23  o 5.3710  1.1200 -1.966000      2.241000  
1 1 1 8  28 24  o 4.7150  1.1770 -0.9785000E-01 2.355000  
1 1 1 8  28 25  o 3.6020  1.0820 -0.8464000     2.164000  
1 1 1 8  28 26  o 7.6520  1.0300 -3.404000      2.061000  
1 1 1 8  28 27  o 10.750  0.7246 -1.848000      1.449000  
1 1 1 8  28 28  o 5.8470  1.1220 -2.399000      2.245000  
1 1 1 8  28 29  o 3.9090  1.1170 1.042000       2.234000  
1 1 1 8  28 30  o 4.4980  1.1880 0.2317000      2.376000  
1 1 1 8  28 31  o 4.7100  1.2210 -0.5108000E-01 2.441000  
1 1 1 8  28 32  o 5.7340  1.1820 -1.194000      2.364000  
1 1 1 8  28 33  o 3.9790  1.1570 0.2698000      2.313000  
1 1 1 8  28 34  o 7.3270  1.0610 -1.065000      2.122000  
1 1 1 8  28 35  o 6.1140  1.2240 0.2168000E-02  2.449000  
1 1 1 8  28 36  o 5.9000  1.2280 -0.6405000     2.456000  
1 1 1 8  28 37  o 4.7620  1.2860 -1.336000      2.573000  
1 1 1 8  28 38  o 4.7600  1.2940 0.3327000      2.588000  
1 1 1 8  28 39  o 4.3310  1.2440 0.1184000      2.488000  
1 1 1 8  28 40  o 7.7580  1.1580 3.223000       2.316000  
1 1 1 8  28 41  o 3.9480  1.2100 -0.4750000     2.421000  
1 1 1 8  28 42  o 4.6530  1.2800 -1.813000      2.561000  
1 1 1 8  28 43  f 3.0960  1.0530 0.3390000      2.107000  
1 1 1 8  28 44  o 4.6910  1.4230 -0.5986000     2.846000  
1 1 1 8  28 45  o 3.9450  1.9450 ?              ?         
1 1 1 8  29 0   f 10.930  0.9608 0.000000       0.000000  
1 1 1 8  29 1   o 10.160  0.7275 -1.235000      1.455000  
1 1 1 8  29 2   o 9.0300  0.8312 -0.6077000     1.662000  
1 1 1 8  29 3   o 12.830  0.6309 1.460000       1.262000  
1 1 1 8  29 4   f 9.6410  0.7774 -0.9523000     1.555000  
1 1 1 8  29 5   o 5.8250  1.1110 -1.301000      2.222000  
1 1 1 8  29 6   o 7.1960  1.0100 1.497000       2.020000  
1 1 1 8  29 7   f 9.9190  0.7369 -1.478000      1.474000  
1 1 1 8  29 8   o 8.4550  0.8899 -2.292000      1.780000  
1 1 1 8  29 9   o 11.080  0.7008 -0.7521000     1.402000  
1 1 1 8  29 10  o 8.8550  0.8565 -0.7418000     1.713000  
1 1 1 8  29 11  f 8.1900  0.9270 0.2900000      1.854000  
1 1 1 8  29 12  o 7.2780  1.0120 -2.357000      2.024000  
1 1 1 8  29 13  o 11.010  0.6701 -0.5075000     1.340000  
1 1 1 8  29 14  o 10.670  0.6984 0.1517000      1.397000  
1 1 1 8  29 15  o 9.8060  0.7461 -0.8995000     1.492000  
1 1 1 8  29 16  o 6.2220  1.1380 0.6584000      2.277000  
1 1 1 8  29 17  f 7.3080  1.0060 1.955000       2.013000  
1 1 1 8  29 18  o 4.4850  1.1330 2.121000       2.266000  
1 1 1 8  29 19  o 5.2280  1.1710 -1.463000      2.342000  
1 1 1 8  29 20  o 5.9930  1.1160 -1.843000      2.231000  
1 1 1 8  29 21  f 4.7620  1.1840 -1.199000      2.369000  
1 1 1 8  29 22  o 4.6100  1.1610 -1.482000      2.323000  
1 1 1 8  29 23  o 4.3820  1.1370 1.643000       2.275000  
1 1 1 8  29 24  o 4.9590  1.1980 -0.3050000     2.396000  
1 1 1 8  29 25  o 5.2140  1.1410 -2.005000      2.282000  
1 1 1 8  29 26  o 4.8680  1.1060 -2.754000      2.212000  
1 1 1 8  29 27  o 8.0440  0.9975 -0.9350000     1.995000  
1 1 1 8  29 28  o 4.4850  1.1720 -1.613000      2.344000  
1 1 1 8  29 29  o 3.5180  1.0930 -0.1365000     2.185000  
1 1 1 8  29 30  o 4.0000  1.1410 -0.2708000     2.283000  
1 1 1 8  29 31  o 4.0360  1.1400 1.011000       2.280000  
1 1 1 8  29 32  o 6.2410  1.1800 -0.8831000     2.360000  
1 1 1 8  29 33  o 4.6050  1.2030 -0.5492000     2.406000  
1 1 1 8  29 34  o 10.010  0.8104 0.4691000      1.621000  
1 1 1 8  29 35  o 6.6180  1.1930 -1.344000      2.386000  
1 1 1 8  29 36  o 3.4180  1.0830 -0.7599000     2.167000  
1 1 1 8  29 37  o 5.6530  1.5630 0.4756000E-01  3.125000  
1 1 1 8  29 38  o 3.6530  1.3020 -0.9789000     2.604000  
1 1 1 8  30 0   o 8.8800  1.2340 -0.000000      0.000000  
1 1 1 8  30 1   o 9.7220  0.7760 0.5503000      1.552000  
1 1 1 8  30 2   o 4.4930  1.1840 0.1970000      2.368000  
1 1 1 8  30 3   o 8.3890  0.8937 0.3476000      1.787000  
1 1 1 8  30 4   o 6.7210  1.0340 3.568000       2.068000  
1 1 1 8  30 5   o 5.1750  1.1490 -1.231000      2.297000  
1 1 1 8  30 6   o 4.2640  1.1560 0.3683000      2.312000  
1 1 1 8  30 7   o 4.4120  1.1800 -0.3557000     2.360000  
1 1 1 8  30 8   o 3.5820  1.0880 -0.5086000E-01 2.177000  
1 1 1 8  30 9   o 5.1530  1.1450 2.094000       2.289000  
1 1 1 8  30 10  o 5.3250  1.1190 3.038000       2.239000  
1 1 1 8  30 11  o 3.5200  1.0790 0.3920000      2.159000  
1 1 1 8  30 12  o 3.0240  0.9849 0.3595000      1.970000  
1 1 1 8  30 13  o 4.5550  1.1650 1.416000       2.330000  
1 1 1 8  30 14  o 4.9570  1.1540 1.530000       2.308000  
1 1 1 8  30 15  o 4.1520  1.1580 -0.3436000     2.316000  
1 1 1 8  30 16  o 4.9190  1.1840 -1.932000      2.368000  
1 1 1 8  30 17  o 3.6710  1.1080 -0.1977000     2.215000  
1 1 1 8  30 18  o 3.8640  1.1340 0.2927000      2.268000  
1 1 1 8  30 19  o 6.5560  1.1210 -1.750000      2.241000  
1 1 1 8  30 20  o 4.2800  1.1570 -0.6679000     2.314000  
1 1 1 8  30 21  o 4.1830  1.1690 0.5044000      2.337000  
1 1 1 8  30 22  o 3.7930  1.1270 -0.6236000     2.255000  
1 1 1 8  30 23  o 6.3750  1.1390 -0.7376000     2.277000  
1 1 1 8  30 24  o 5.7600  1.2000 -1.348000      2.399000  
1 1 1 8  30 25  o 3.7510  1.1110 -1.409000      2.222000  
1 1 1 8  30 26  o 4.2770  1.1750 -1.104000      2.349000  
1 1 1 8  30 27  o 3.9010  1.1430 -1.076000      2.286000  
1 1 1 8  30 28  o 6.2660  1.5700 1.251000       3.141000  
1 1 1 8  30 29  o 4.5620  1.9900 ?              ?         
1 1 1 8  30 30  o 3.7080  1.8620 ?              ?         
1 1 1 8  31 0   o 3.1850  1.8920 0.000000       0.000000  
1 1 1 8  31 1   o 5.0210  1.2130 -0.1781000     2.427000  
1 1 1 8  31 2   o 4.3680  1.1850 -0.2866000     2.371000  
1 1 1 8  31 3   o 2.9150  0.9689 -0.9126000E-01 1.938000  
1 1 1 8  31 4   o 5.3960  1.2290 0.4999000E-01  2.458000  
1 1 1 8  31 5   o 7.5550  1.0490 -0.7686000E-01 2.098000  
1 1 1 8  31 6   f 5.1250  1.1660 -2.048000      2.331000  
1 1 1 8  31 7   o 3.7950  1.1120 -1.196000      2.225000  
1 1 1 8  31 8   o 3.2240  1.0230 -1.457000      2.047000  
1 1 1 8  31 9   o 3.1640  1.0210 0.7386000E-01  2.042000  
1 1 1 8  31 10  o 4.1910  1.1590 0.1304000E-01  2.317000  
1 1 1 8  31 11  o 4.2040  1.1440 1.442000       2.289000  
1 1 1 8  31 12  o 4.6650  1.1850 -0.9838000     2.370000  
1 1 1 8  31 13  o 4.1600  1.1860 -1.394000      2.372000  
1 1 1 8  31 14  o 4.1890  1.2300 -1.005000      2.460000  
1 1 1 8  31 15  o 2.9780  1.4600 ?              ?         
1 1 1 8  31 16  o 4.0820  1.9720 ?              ?         
1 1 1 9  0  1   o 9.1180  0.4971 -0.000000      0.000000  
1 1 1 9  0  2   o 18.950  0.7731 -0.000000      0.000000  
1 1 1 9  0  3   o 43.460  1.7110 -0.000000      0.000000  
1 1 1 9  0  4   f 24.710  0.9834 0.000000       0.000000  
1 1 1 9  0  5   o 17.960  0.7325 -0.000000      0.000000  
1 1 1 9  0  6   o 16.870  0.6886 0.000000       0.000000  
1 1 1 9  0  7   o 34.640  1.3660 0.000000       0.000000  
1 1 1 9  0  17  o 2.2690  1.1980 0.000000       0.000000  
1 1 1 9  0  18  o 8.0970  0.5749 0.000000       0.000000  
1 1 1 9  0  19  o 28.380  0.8133 0.000000       0.000000  
1 1 1 9  0  20  o 26.530  1.0890 0.000000       0.000000  
1 1 1 9  0  22  o 54.030  2.1450 0.000000       0.000000  
1 1 1 9  0  23  o 8.8920  0.9763 -0.000000      0.000000  
1 1 1 9  0  24  o 10.770  0.9173 0.000000       0.000000  
1 1 1 9  0  25  o 4.2060  1.8750 -0.000000      0.000000  
1 1 1 9  0  26  o 27.580  1.1610 0.000000       0.000000  
1 1 1 9  0  27  o 30.550  1.2630 0.000000       0.000000  
1 1 1 9  0  28  o 40.090  1.6180 0.000000       0.000000  
1 1 1 9  0  29  o 40.880  1.6500 0.000000       0.000000  
1 1 1 9  0  30  o 58.880  2.3450 0.000000       0.000000  
1 1 1 9  0  31  o 24.050  1.1080 0.000000       0.000000  
1 1 1 9  0  32  o 15.390  1.1020 0.000000       0.000000  
1 1 1 9  0  33  o 36.200  1.4990 0.000000       0.000000  
1 1 1 9  0  34  o 70.310  2.7970 0.000000       0.000000  
1 1 1 9  0  35  o 24.970  1.1700 0.000000       0.000000  
1 1 1 9  0  36  o 23.570  1.1640 0.000000       0.000000  
1 1 1 9  0  37  o 5.1020  2.4670 0.000000       0.000000  
1 1 1 9  0  38  o 20.650  1.1420 -0.000000      0.000000  
1 1 1 9  0  39  o 45.650  1.8630 0.000000       0.000000  
1 1 1 9  0  40  o 10.180  1.8440 0.000000       0.000000  
1 1 1 9  0  41  o 12.050  1.5880 -0.000000      0.000000  
1 1 1 9  0  42  o 4.2140  2.4880 -0.000000      0.000000  
1 1 1 9  0  43  o 4.9000  2.6320 0.000000       0.000000  
1 1 1 9  0  44  o 33.300  1.4990 -0.000000      0.000000  
1 1 1 9  0  45  o 24.000  1.3370 -0.000000      0.000000  
1 1 1 9  0  46  o 12.940  1.8450 0.000000       0.000000  
1 1 1 9  0  47  o 5.0320  2.8010 -0.000000      0.000000  
1 1 1 9  0  48  f 6.6770  3.0710 0.000000       0.000000  
1 1 1 9  0  49  o 6.9300  3.0350 0.000000       0.000000  
1 1 1 9  0  50  o 49.990  2.0760 0.000000       0.000000  
1 1 1 9  0  51  o 26.410  1.5260 0.000000       0.000000  
1 1 1 9  0  52  o 9.4960  3.0090 0.000000       0.000000  
1 1 1 9  0  53  o 29.840  1.5440 0.000000       0.000000  
1 1 1 9  0  54  f 6.8730  3.4170 0.000000       0.000000  
1 1 1 9  0  55  o 5.2740  3.0520 0.000000       0.000000  
1 1 1 9  0  56  o 18.900  1.8850 0.000000       0.000000  
1 1 1 9  0  57  o 17.350  2.0770 0.000000       0.000000  
1 1 1 9  0  58  o 34.140  1.7310 -0.000000      0.000000  
1 1 1 9  0  59  o 9.0670  3.8690 -0.000000      0.000000  
1 1 1 9  0  60  o 5.8320  3.3970 0.000000       0.000000  
1 1 1 9  0  61  o 41.220  1.9730 -0.000000      0.000000  
1 1 1 9  0  62  o 52.490  2.2980 -0.000000      0.000000  
1 1 1 9  0  63  o 35.370  1.9160 0.000000       0.000000  
1 1 1 9  0  64  o 6.1540  3.6990 -0.000000      0.000000  
1 1 1 9  0  65  f 7.8060  4.1430 0.000000       0.000000  
1 1 1 9  0  66  o 7.2810  4.0650 -0.000000      0.000000  
1 1 1 9  0  67  o 9.3410  4.4950 -0.000000      0.000000  
1 1 1 9  0  68  o 16.970  3.2050 0.000000       0.000000  
1 1 1 9  0  69  o 4.5280  3.1260 0.000000       0.000000  
1 1 1 9  0  70  o 21.150  2.7000 -0.000000      0.000000  
1 1 1 9  0  71  o 17.130  3.2620 0.000000       0.000000  
1 1 1 9  0  72  o 6.3940  3.9190 0.000000       0.000000  
1 1 1 9  0  73  o 11.420  4.6230 -0.000000      0.000000  
1 1 1 9  0  74  o 16.800  3.8020 -0.000000      0.000000  
1 1 1 9  0  75  o 6.3190  3.9800 -0.000000      0.000000  
1 1 1 9  0  76  o 6.7930  4.1770 0.000000       0.000000  
1 1 1 9  0  77  f 9.2530  4.7930 -0.000000      0.000000  
1 1 1 9  0  78  o 6.5540  4.0950 0.000000       0.000000  
1 1 1 9  0  79  o 7.8860  4.4630 -0.000000      0.000000  
1 1 1 9  0  80  o 5.0510  3.4290 0.000000       0.000000  
1 1 1 9  0  81  o 5.5060  3.5860 0.000000       0.000000  
1 1 1 9  0  82  o 4.8450  3.2950 0.000000       0.000000  
1 1 1 9  0  83  o 6.6500  4.1900 0.000000       0.000000  
1 1 1 9  0  84  o 5.3310  3.6270 0.000000       0.000000  
1 1 1 9  0  85  o 8.9630  4.8030 0.000000       0.000000  
1 1 1 9  0  86  o 3.3170  2.4330 0.000000       0.000000  
1 1 1 9  0  87  o 5.1300  3.4630 -0.000000      0.000000  
1 1 1 9  0  88  o 6.0040  3.8530 0.000000       0.000000  
1 1 1 9  0  89  o 3.6720  2.6520 0.000000       0.000000  
1 1 1 9  0  90  o 3.7490  2.6900 0.000000       0.000000  
1 1 1 9  0  91  o 5.3940  3.5190 0.000000       0.000000  
1 1 1 9  0  92  o 4.3980  3.0200 -0.000000      0.000000  
1 1 1 9  0  93  o 4.5500  3.0910 -0.000000      0.000000  
1 1 1 9  0  94  o 3.5560  2.4760 -0.000000      0.000000  
1 1 1 9  0  95  o 2.6840  1.9350 -0.000000      0.000000  
1 1 1 9  1  0   o 7.1110  0.6007 -0.000000      0.000000  
1 1 1 9  1  1   o 37.270  1.0390 0.6485000      2.079000  
1 1 1 9  1  2   o 4.5520  0.7487 ?              ?         
1 1 1 9  1  3   o 61.760  2.4450 ?              ?         
1 1 1 9  1  4   o 37.800  1.0530 0.5987000      2.107000  
1 1 1 9  1  5   o 16.430  0.4771 0.5497000      0.9542000 
1 1 1 9  1  6   o 7.7160  0.2972 0.7162000      0.5945000 
1 1 1 9  1  7   o 22.050  0.5370 0.8005000      1.074000  
1 1 1 9  1  8   o 25.760  0.7223 0.5949000      1.445000  
1 1 1 9  1  9   o 41.140  1.1450 -1.433000      2.290000  
1 1 1 9  1  10  o 36.250  1.0100 0.9389000      2.020000  
1 1 1 9  1  11  o 43.280  1.7040 ?              ?         
1 1 1 9  1  12  o 28.820  1.1380 ?              ?         
1 1 1 9  1  13  o 53.630  2.1220 ?              ?         
1 1 1 9  1  14  o 66.620  2.6490 ?              ?         
1 1 1 9  1  15  o 22.570  0.9107 ?              ?         
1 1 1 9  1  16  o 46.780  1.8460 ?              ?         
1 1 1 9  1  17  o 23.660  0.9632 ?              ?         
1 1 1 9  1  18  o 40.190  0.9714 -0.9074000     1.943000  
1 1 1 9  1  19  o 30.730  0.7540 -0.2158000     1.508000  
1 1 1 9  1  20  o 16.810  0.4890 1.746000       0.9779000 
1 1 1 9  1  21  o 21.140  0.5563 -1.072000      1.113000  
1 1 1 9  1  22  o 38.450  0.9420 0.3376000      1.884000  
1 1 1 9  1  23  o 45.890  1.1110 -1.763000      2.222000  
1 1 1 9  1  24  o 42.240  1.0330 0.6097000E-01  2.066000  
1 1 1 9  1  25  o 21.010  0.6832 ?              ?         
1 1 1 9  1  26  o 20.700  0.5880 0.2239000      1.176000  
1 1 1 9  1  27  o 33.110  0.8290 -1.059000      1.658000  
1 1 1 9  1  28  o 17.470  0.6476 0.3750000E-01  1.295000  
1 1 1 9  1  29  o 38.380  1.1060 -0.6740000     2.212000  
1 1 1 9  1  30  o 48.350  1.3740 2.449000       2.747000  
1 1 1 9  1  31  o 21.980  0.7590 0.5741000      1.518000  
1 1 1 9  1  32  o 58.630  1.6690 0.4073000      3.337000  
1 1 1 9  1  33  o 10.810  0.9449 1.605000       1.890000  
1 1 1 9  1  34  o 21.620  0.7816 -0.3347000     1.563000  
1 1 1 9  1  35  f 22.960  0.8053 0.5173000      1.611000  
1 1 1 9  1  36  o 31.210  0.9577 0.3021000      1.915000  
1 1 1 9  1  37  f 16.250  0.8273 -1.083000      1.655000  
1 1 1 9  1  38  o 12.500  0.9703 -0.6781000     1.941000  
1 1 1 9  1  39  o 28.510  0.9328 0.9493000      1.866000  
1 1 1 9  1  40  o 15.540  0.9522 -2.361000      1.904000  
1 1 1 9  1  41  o 9.9310  1.3320 -0.6970000     2.664000  
1 1 1 9  1  42  o 13.960  1.0400 2.298000       2.081000  
1 1 1 9  1  43  o 45.320  1.3230 0.2277000      2.646000  
1 1 1 9  1  44  o 27.360  0.9525 -1.080000      1.905000  
1 1 1 9  1  45  o 21.330  0.9384 1.073000       1.877000  
1 1 1 9  1  46  o 23.370  0.9676 0.4410000      1.935000  
1 1 1 9  1  47  o 35.040  1.1060 -0.1537000     2.211000  
1 1 1 9  1  48  o 29.260  1.0180 -0.4349000     2.035000  
1 1 1 9  1  49  o 6.9060  1.6810 -3.265000      3.362000  
1 1 1 9  1  50  o 22.800  1.0340 -0.5142000     2.068000  
1 1 1 9  1  51  o 9.0770  1.8470 -2.012000      3.693000  
1 1 1 9  1  52  o 25.080  1.0420 -0.2044000     2.085000  
1 1 1 9  1  53  o 20.420  1.0970 -1.375000      2.194000  
1 1 1 9  1  54  o 22.790  1.1000 -0.9404000     2.200000  
1 1 1 9  1  55  o 25.160  1.0990 -0.9968000     2.199000  
1 1 1 9  1  56  o 10.450  1.9420 1.020000       3.884000  
1 1 1 9  1  57  o 5.6830  1.7730 -1.973000      3.547000  
1 1 1 9  1  58  o 24.840  1.1940 -0.9025000     2.388000  
1 1 1 9  1  59  f 31.080  1.2380 3.159000       2.477000  
1 1 1 9  1  60  o 19.390  1.4930 1.718000       2.987000  
1 1 1 9  1  61  o 27.160  1.2890 1.002000       2.579000  
1 1 1 9  1  62  o 9.4020  2.2700 2.729000       4.539000  
1 1 1 9  1  63  o 43.360  1.4550 1.187000       2.910000  
1 1 1 9  1  64  o 22.070  1.5600 -0.1261000     3.119000  
1 1 1 9  1  65  o 22.780  1.5930 -0.4735000     3.186000  
1 1 1 9  1  66  o 18.730  1.8260 -2.853000      3.651000  
1 1 1 9  1  67  o 22.820  1.6260 2.156000       3.252000  
1 1 1 9  1  68  o 9.2510  2.5140 0.9874000      5.027000  
1 1 1 9  1  69  o 20.780  1.9150 0.9835000      3.829000  
1 1 1 9  1  70  o 11.240  2.5850 3.262000       5.169000  
1 1 1 9  1  71  f 8.9550  2.4340 -4.367000      4.868000  
1 1 1 9  1  72  o 7.3150  2.3090 0.1584000      4.619000  
1 1 1 9  1  73  o 16.650  2.3670 0.4833000      4.733000  
1 1 1 9  1  74  o 7.6480  2.3570 0.6920000      4.714000  
1 1 1 9  1  75  o 10.340  2.7240 -0.4953000     5.448000  
1 1 1 9  1  76  o 9.0710  2.6160 2.045000       5.231000  
1 1 1 9  1  77  f 7.3050  2.3480 -0.6998000     4.695000  
1 1 1 9  1  78  o 7.8150  2.4340 -0.7801000E-01 4.869000  
1 1 1 9  1  79  o 9.1020  2.5410 4.183000       5.082000  
1 1 1 9  1  80  f 6.4810  2.1790 1.499000       4.358000  
1 1 1 9  1  81  o 7.1320  2.3010 -3.248000      4.603000  
1 1 1 9  1  82  o 12.330  2.8920 -0.8504000     5.783000  
1 1 1 9  1  83  o 7.0830  2.3340 0.1226000      4.668000  
1 1 1 9  1  84  o 7.1970  2.3400 1.683000       4.679000  
1 1 1 9  1  85  o 6.8510  2.2590 -0.3807000     4.519000  
1 1 1 9  1  86  o 6.1600  2.0620 -0.5448000     4.123000  
1 1 1 9  1  87  o 4.7360  1.6760 0.9946000E-01  3.353000  
1 1 1 9  1  88  o 4.9380  1.7370 0.4226000      3.474000  
1 1 1 9  1  89  o 7.2190  2.2510 -3.764000      4.502000  
1 1 1 9  1  90  o 6.2540  2.0990 0.3536000      4.197000  
1 1 1 9  1  91  o 5.8850  2.0040 1.138000       4.009000  
1 1 1 9  1  92  o 5.8160  1.9350 -3.001000      3.869000  
1 1 1 9  1  93  o 5.2050  1.7830 -0.9205000     3.566000  
1 1 1 9  1  94  o 5.2630  1.7340 1.981000       3.468000  
1 1 1 9  1  95  o 4.4230  1.4390 -2.545000      2.878000  
1 1 1 9  2  0   f 8.6750  0.4610 0.000000       0.000000  
1 1 1 9  2  1   o 41.490  0.8163 -1.244000      1.633000  
1 1 1 9  2  2   o 32.770  0.7896 1.312000       1.579000  
1 1 1 9  2  3   o 53.660  1.2960 0.4045000      2.591000  
1 1 1 9  2  4   o 7.5790  0.4222 -6.229000      0.8444000 
1 1 1 9  2  5   o 31.100  1.2300 ?              ?         
1 1 1 9  2  6   o 36.140  1.0070 -0.2048000     2.014000  
1 1 1 9  2  7   o 15.350  0.4706 -4.447000      0.9412000 
1 1 1 9  2  8   o 28.040  0.7880 3.798000       1.576000  
1 1 1 9  2  9   o 28.110  0.7895 -0.5265000     1.579000  
1 1 1 9  2  10  o 22.460  0.6421 -1.176000      1.284000  
1 1 1 9  2  11  o 36.030  1.0050 0.2198000      2.010000  
1 1 1 9  2  12  o 20.820  0.6051 1.339000       1.210000  
1 1 1 9  2  13  f 19.480  0.7975 ?              ?         
1 1 1 9  2  14  o 27.880  0.7908 -1.241000      1.582000  
1 1 1 9  2  15  o 27.280  1.0870 ?              ?         
1 1 1 9  2  16  o 32.170  1.2760 ?              ?         
1 1 1 9  2  17  o 23.610  1.0050 43.04000       2.010000  
1 1 1 9  2  18  o 12.850  0.6745 ?              ?         
1 1 1 9  2  19  o 50.800  1.2230 -2.059000      2.446000  
1 1 1 9  2  20  o 22.060  0.5805 1.557000       1.161000  
1 1 1 9  2  21  o 40.150  0.9772 -0.7556000     1.954000  
1 1 1 9  2  22  o 27.070  0.6818 -0.5745000     1.364000  
1 1 1 9  2  23  o 23.100  0.6134 0.5928000      1.227000  
1 1 1 9  2  24  o 24.220  0.6358 -0.4046000     1.272000  
1 1 1 9  2  25  o 43.180  1.0540 -0.6232000     2.109000  
1 1 1 9  2  26  o 20.960  0.5975 -0.3500000     1.195000  
1 1 1 9  2  27  o 29.820  0.8884 -2.689000      1.777000  
1 1 1 9  2  28  o 33.700  0.9868 -0.7247000     1.974000  
1 1 1 9  2  29  o 26.100  1.1770 ?              ?         
1 1 1 9  2  30  o 14.160  0.7686 -0.3694000     1.537000  
1 1 1 9  2  31  f 39.140  1.1370 -0.5274000     2.274000  
1 1 1 9  2  32  o 8.9880  1.1290 3.538000       2.258000  
1 1 1 9  2  33  o 34.350  1.0270 1.398000       2.054000  
1 1 1 9  2  34  o 25.030  0.8431 1.032000       1.686000  
1 1 1 9  2  35  o 28.370  0.9091 0.8768000      1.818000  
1 1 1 9  2  36  o 30.300  1.3230 ?              ?         
1 1 1 9  2  37  o 14.120  1.2170 ?              ?         
1 1 1 9  2  38  o 29.070  1.3160 ?              ?         
1 1 1 9  2  39  o 24.580  1.2090 ?              ?         
1 1 1 9  2  40  o 13.370  1.4060 ?              ?         
1 1 1 9  2  41  o 34.000  1.4760 ?              ?         
1 1 1 9  2  42  o 42.180  1.7590 ?              ?         
1 1 1 9  2  43  o 23.830  1.3330 ?              ?         
1 1 1 9  2  44  o 23.320  1.2800 ?              ?         
1 1 1 9  2  45  o 27.800  1.4160 ?              ?         
1 1 1 9  2  46  o 39.650  1.7040 ?              ?         
1 1 1 9  2  47  f 41.560  1.7730 ?              ?         
1 1 1 9  2  48  o 26.370  1.4230 ?              ?         
1 1 1 9  2  49  o 28.710  1.4640 ?              ?         
1 1 1 9  2  50  o 7.4410  2.6500 ?              ?         
1 1 1 9  2  51  o 18.260  1.6440 ?              ?         
1 1 1 9  2  52  o 38.570  1.7360 ?              ?         
1 1 1 9  2  53  o 18.960  1.7250 ?              ?         
1 1 1 9  2  54  o 18.500  1.7300 ?              ?         
1 1 1 9  2  55  o 12.430  2.5120 ?              ?         
1 1 1 9  2  56  o 12.190  2.5660 ?              ?         
1 1 1 9  2  57  o 8.8670  3.0050 ?              ?         
1 1 1 9  2  58  o 5.1120  2.3880 ?              ?         
1 1 1 9  2  59  o 24.570  1.7390 ?              ?         
1 1 1 9  2  60  o 11.570  2.9350 ?              ?         
1 1 1 9  2  61  o 24.050  1.8450 ?              ?         
1 1 1 9  2  62  o 27.890  1.7600 ?              ?         
1 1 1 9  2  63  o 25.490  1.9030 ?              ?         
1 1 1 9  2  64  o 20.650  2.2690 ?              ?         
1 1 1 9  2  65  o 33.140  1.9610 ?              ?         
1 1 1 9  2  66  o 20.840  2.2410 ?              ?         
1 1 1 9  2  67  o 8.6410  3.4520 ?              ?         
1 1 1 9  2  68  o 10.290  3.6660 ?              ?         
1 1 1 9  2  69  o 15.330  3.1300 ?              ?         
1 1 1 9  2  70  o 7.5410  3.2050 ?              ?         
1 1 1 9  2  71  o 9.7180  3.4840 ?              ?         
1 1 1 9  2  72  o 8.8870  3.5650 ?              ?         
1 1 1 9  2  73  o 6.7390  3.1080 ?              ?         
1 1 1 9  2  74  o 11.940  3.7910 ?              ?         
1 1 1 9  2  75  o 7.6690  3.3070 ?              ?         
1 1 1 9  2  76  o 6.8520  3.1720 ?              ?         
1 1 1 9  2  77  o 6.3190  3.0080 ?              ?         
1 1 1 9  2  78  o 8.1710  3.5440 ?              ?         
1 1 1 9  2  79  o 7.4260  3.4220 ?              ?         
1 1 1 9  2  80  o 6.3780  3.0950 ?              ?         
1 1 1 9  2  81  o 7.5430  3.4890 ?              ?         
1 1 1 9  2  82  o 8.4800  3.7330 ?              ?         
1 1 1 9  2  83  o 7.5840  3.4670 ?              ?         
1 1 1 9  2  84  o 7.4950  3.4390 ?              ?         
1 1 1 9  2  85  o 6.1320  2.9380 ?              ?         
1 1 1 9  2  86  o 4.9370  2.4470 ?              ?         
1 1 1 9  2  87  o 5.9940  2.8380 ?              ?         
1 1 1 9  2  88  o 6.2770  2.9480 ?              ?         
1 1 1 9  2  89  o 5.3980  2.6520 ?              ?         
1 1 1 9  2  90  f 4.7140  2.3740 ?              ?         
1 1 1 9  2  91  o 4.3240  2.1920 ?              ?         
1 1 1 9  2  92  o 4.2060  2.1270 ?              ?         
1 1 1 9  2  93  o 4.0200  2.0410 ?              ?         
1 1 1 9  2  94  o 3.8440  1.9290 ?              ?         
1 1 1 9  2  95  o 4.2140  1.4090 1.279000       2.819000  
1 1 1 9  3  1   o 43.430  0.7769 0.7384000      1.554000  
1 1 1 9  3  2   o 25.430  0.4719 -0.9714000     0.9438000 
1 1 1 9  3  3   o 29.930  0.5466 -0.5889000     1.093000  
1 1 1 9  3  4   f 53.630  0.9565 1.951000       1.913000  
1 1 1 9  3  5   o 18.680  0.4515 ?              ?         
1 1 1 9  3  6   o 35.750  0.6471 0.2546000      1.294000  
1 1 1 9  3  7   o 70.270  1.4060 0.1614000      2.812000  
1 1 1 9  3  8   o 55.890  1.3500 -0.4997000     2.700000  
1 1 1 9  3  9   o 12.780  0.6080 ?              ?         
1 1 1 9  3  10  o 13.510  0.4066 -0.5390000     0.8131000 
1 1 1 9  3  11  o 39.170  0.9474 -0.7643000E-01 1.895000  
1 1 1 9  3  12  o 60.150  1.4480 -1.984000      2.897000  
1 1 1 9  3  13  o 41.560  1.0320 5.376000       2.063000  
1 1 1 9  3  14  o 60.250  1.4540 -1.996000      2.908000  
1 1 1 9  3  15  o 44.790  1.0910 1.078000       2.183000  
1 1 1 9  3  16  o 32.890  0.9318 4.002000       1.864000  
1 1 1 9  3  17  o 37.130  1.0460 0.1629000      2.092000  
1 1 1 9  3  18  o 46.460  1.3040 -1.663000      2.607000  
1 1 1 9  3  19  o 35.590  1.0100 -0.1872000     2.019000  
1 1 1 9  3  20  o 25.200  0.7549 2.260000       1.510000  
1 1 1 9  3  21  o 22.950  0.7086 2.110000       1.417000  
1 1 1 9  3  22  o 17.120  0.6225 0.7231000      1.245000  
1 1 1 9  3  23  o 24.140  0.7419 0.1438000      1.484000  
1 1 1 9  3  24  f 31.990  0.9303 0.7003000      1.861000  
1 1 1 9  3  25  o 11.180  0.7167 -2.909000      1.433000  
1 1 1 9  3  26  o 31.140  0.9153 -0.6743000     1.831000  
1 1 1 9  3  27  o 24.050  0.7627 0.7205000      1.525000  
1 1 1 9  3  28  o 43.610  1.2470 0.6309000      2.495000  
1 1 1 9  3  29  o 21.490  0.7504 1.688000       1.501000  
1 1 1 9  3  30  o 29.430  0.8988 -0.6509000     1.798000  
1 1 1 9  3  31  o 23.800  0.7891 -0.5787000     1.578000  
1 1 1 9  3  32  f 18.120  0.7765 -0.3942000     1.553000  
1 1 1 9  3  33  o 8.9500  1.1890 0.9650000      2.378000  
1 1 1 9  3  34  o 26.950  0.8788 0.4791000      1.758000  
1 1 1 9  3  35  o 14.320  0.9011 0.7802000      1.802000  
1 1 1 9  3  36  o 15.400  0.8435 -1.025000      1.687000  
1 1 1 9  3  37  f 16.390  0.8587 -0.8992000     1.717000  
1 1 1 9  3  38  o 23.230  0.8779 1.794000       1.756000  
1 1 1 9  3  39  o 22.040  0.8707 -0.5357000     1.741000  
1 1 1 9  3  40  o 19.840  0.8916 -0.2991000     1.783000  
1 1 1 9  3  41  o 6.9330  1.5270 -2.760000      3.054000  
1 1 1 9  3  42  o 43.670  1.8000 ?              ?         
1 1 1 9  3  43  o 38.400  1.6270 ?              ?         
1 1 1 9  3  44  o 13.510  1.6450 ?              ?         
1 1 1 9  3  45  f 14.400  1.6330 ?              ?         
1 1 1 9  3  46  o 29.850  1.4460 ?              ?         
1 1 1 9  3  47  o 29.440  1.4600 ?              ?         
1 1 1 9  3  48  o 24.050  1.4110 ?              ?         
1 1 1 9  3  49  o 51.860  2.1470 ?              ?         
1 1 1 9  3  50  o 19.050  1.5410 ?              ?         
1 1 1 9  3  51  o 27.920  1.5160 ?              ?         
1 1 1 9  3  52  o 6.7980  2.6190 ?              ?         
1 1 1 9  3  53  o 23.500  1.5690 ?              ?         
1 1 1 9  3  54  o 22.990  1.6010 ?              ?         
1 1 1 9  3  55  o 33.890  1.6830 ?              ?         
1 1 1 9  3  56  o 17.460  2.0130 ?              ?         
1 1 1 9  3  57  o 34.240  1.7350 ?              ?         
1 1 1 9  3  58  o 23.780  1.6240 ?              ?         
1 1 1 9  3  59  o 7.7820  3.0160 ?              ?         
1 1 1 9  3  60  o 8.4160  2.9240 ?              ?         
1 1 1 9  3  61  o 8.3130  3.1580 ?              ?         
1 1 1 9  3  62  o 7.1070  3.0410 ?              ?         
1 1 1 9  3  63  o 17.820  2.4160 ?              ?         
1 1 1 9  3  64  o 9.4660  3.4390 ?              ?         
1 1 1 9  3  65  f 15.750  2.6050 ?              ?         
1 1 1 9  3  66  o 10.110  3.5510 ?              ?         
1 1 1 9  3  67  o 5.3590  2.6170 ?              ?         
1 1 1 9  3  68  o 11.480  3.4490 ?              ?         
1 1 1 9  3  69  o 9.1540  3.5590 ?              ?         
1 1 1 9  3  70  f 10.160  3.6340 ?              ?         
1 1 1 9  3  71  o 9.4110  3.4040 ?              ?         
1 1 1 9  3  72  o 7.0560  3.0970 ?              ?         
1 1 1 9  3  73  o 8.4900  3.4840 ?              ?         
1 1 1 9  3  74  o 7.1610  3.2280 ?              ?         
1 1 1 9  3  75  o 6.3140  3.0050 ?              ?         
1 1 1 9  3  76  o 7.3540  3.2650 ?              ?         
1 1 1 9  3  77  o 5.3680  2.6510 ?              ?         
1 1 1 9  3  78  f 7.8440  3.4660 ?              ?         
1 1 1 9  3  79  o 7.1460  3.2780 ?              ?         
1 1 1 9  3  80  o 7.3420  3.3130 ?              ?         
1 1 1 9  3  81  o 5.9890  2.8710 ?              ?         
1 1 1 9  3  82  o 5.5670  2.7350 ?              ?         
1 1 1 9  3  83  o 6.1720  2.9660 ?              ?         
1 1 1 9  3  84  o 11.500  4.0140 ?              ?         
1 1 1 9  3  85  f 6.1900  2.9810 ?              ?         
1 1 1 9  3  86  o 6.2020  2.9630 ?              ?         
1 1 1 9  3  87  o 6.4570  3.0490 ?              ?         
1 1 1 9  3  88  o 6.2200  2.9930 ?              ?         
1 1 1 9  3  89  o 5.1200  2.5740 ?              ?         
1 1 1 9  3  90  o 5.8950  2.8850 ?              ?         
1 1 1 9  3  91  o 4.5730  2.2990 ?              ?         
1 1 1 9  3  92  o 5.2930  2.5710 ?              ?         
1 1 1 9  3  93  o 4.2730  2.1470 ?              ?         
1 1 1 9  3  94  o 6.4740  2.7380 ?              ?         
1 1 1 9  3  95  o 3.9330  1.9280 ?              ?         
1 1 1 9  4  0   o 9.1110  0.3483 0.000000       0.000000  
1 1 1 9  4  1   o 31.600  0.4450 -0.1425000     0.8900000 
1 1 1 9  4  2   o 52.930  0.9463 0.4896000      1.893000  
1 1 1 9  4  3   o 25.110  0.4648 0.8809000      0.9295000 
1 1 1 9  4  4   o 27.180  0.4480 -0.6055000     0.8960000 
1 1 1 9  4  5   o 32.840  0.5951 0.8020000      1.190000  
1 1 1 9  4  6   o 43.840  0.7860 1.855000       1.572000  
1 1 1 9  4  7   o 39.230  0.7044 1.580000       1.409000  
1 1 1 9  4  8   o 15.970  0.4105 ?              ?         
1 1 1 9  4  9   o 15.000  0.3349 -2.575000      0.6697000 
1 1 1 9  4  10  o 6.5490  0.5286 4.130000       1.057000  
1 1 1 9  4  11  o 37.970  0.8739 0.9755000      1.748000  
1 1 1 9  4  12  o 18.190  0.4739 0.4948000E-02  0.9479000 
1 1 1 9  4  13  f 27.420  0.6768 -0.8806000     1.354000  
1 1 1 9  4  14  o 21.680  0.5634 0.3413000      1.127000  
1 1 1 9  4  15  o 52.620  1.1780 -4.192000      2.355000  
1 1 1 9  4  16  o 21.140  0.5783 10.56000       1.157000  
1 1 1 9  4  17  o 31.150  0.6967 -4.928000      1.393000  
1 1 1 9  4  18  o 19.720  0.5126 3.101000       1.025000  
1 1 1 9  4  19  o 28.140  0.6959 -4.503000      1.392000  
1 1 1 9  4  20  o 23.880  0.6312 -0.3980000     1.262000  
1 1 1 9  4  21  o 12.060  0.5454 2.512000       1.091000  
1 1 1 9  4  22  o 29.250  0.7385 -1.692000      1.477000  
1 1 1 9  4  23  f 22.790  0.6151 -3.095000      1.230000  
1 1 1 9  4  24  o 22.740  0.6362 1.095000       1.272000  
1 1 1 9  4  25  o 21.840  0.6161 -1.688000      1.232000  
1 1 1 9  4  26  o 17.000  0.5999 2.155000       1.200000  
1 1 1 9  4  27  o 31.410  0.7979 -2.313000      1.596000  
1 1 1 9  4  28  o 33.860  0.8573 -1.851000      1.715000  
1 1 1 9  4  29  o 34.550  0.8931 2.143000       1.786000  
1 1 1 9  4  30  o 36.010  0.9125 -0.4029000     1.825000  
1 1 1 9  4  31  o 32.030  0.8400 2.167000       1.680000  
1 1 1 9  4  32  o 24.920  0.7220 1.547000       1.444000  
1 1 1 9  4  33  o 34.050  0.8759 -1.535000      1.752000  
1 1 1 9  4  34  o 5.9240  1.3190 -0.6218000     2.637000  
1 1 1 9  4  35  o 32.340  0.8597 0.5524000      1.719000  
1 1 1 9  4  36  o 27.640  0.7862 -0.4594000     1.572000  
1 1 1 9  4  37  o 25.290  0.7675 0.7796000      1.535000  
1 1 1 9  4  38  o 24.340  0.7780 -0.4989000     1.556000  
1 1 1 9  4  39  o 45.520  1.3240 0.1492000      2.649000  
1 1 1 9  4  40  o 23.050  0.9047 -0.4174000     1.809000  
1 1 1 9  4  41  o 20.690  0.8857 1.666000       1.771000  
1 1 1 9  4  42  o 15.150  1.0510 0.2561000      2.102000  
1 1 1 9  4  43  o 33.530  1.0670 0.2883000      2.134000  
1 1 1 9  4  44  o 84.340  2.4260 -0.4810000     4.852000  
1 1 1 9  4  45  o 44.740  1.3320 3.023000       2.663000  
1 1 1 9  4  46  o 8.7520  1.7470 0.4081000      3.495000  
1 1 1 9  4  47  o 30.720  1.0580 2.806000       2.115000  
1 1 1 9  4  48  o 26.030  1.0220 1.972000       2.043000  
1 1 1 9  4  49  o 6.3350  2.4500 ?              ?         
1 1 1 9  4  50  o 19.600  1.4860 ?              ?         
1 1 1 9  4  51  o 8.1800  2.6270 ?              ?         
1 1 1 9  4  52  o 30.810  1.5410 ?              ?         
1 1 1 9  4  53  o 13.680  2.1280 ?              ?         
1 1 1 9  4  54  o 12.570  2.3540 ?              ?         
1 1 1 9  4  55  o 33.210  1.6630 ?              ?         
1 1 1 9  4  56  o 36.580  1.7490 ?              ?         
1 1 1 9  4  57  o 7.7940  2.9250 ?              ?         
1 1 1 9  4  58  f 12.860  2.6390 ?              ?         
1 1 1 9  4  59  o 26.600  1.7640 ?              ?         
1 1 1 9  4  60  o 17.420  2.1310 ?              ?         
1 1 1 9  4  61  o 27.050  1.8150 ?              ?         
1 1 1 9  4  62  o 29.740  1.7270 ?              ?         
1 1 1 9  4  63  o 7.3060  3.1130 ?              ?         
1 1 1 9  4  64  o 9.0640  3.1930 ?              ?         
1 1 1 9  4  65  f 16.670  2.8190 ?              ?         
1 1 1 9  4  66  o 16.260  2.6690 ?              ?         
1 1 1 9  4  67  o 10.730  3.6250 ?              ?         
1 1 1 9  4  68  o 15.600  3.2230 ?              ?         
1 1 1 9  4  69  o 7.5880  3.1670 ?              ?         
1 1 1 9  4  70  o 7.5600  3.2820 ?              ?         
1 1 1 9  4  71  o 10.680  3.7160 ?              ?         
1 1 1 9  4  72  o 10.030  3.4380 ?              ?         
1 1 1 9  4  73  o 6.6880  3.0800 ?              ?         
1 1 1 9  4  74  o 11.940  3.8420 ?              ?         
1 1 1 9  4  75  o 17.030  3.1070 ?              ?         
1 1 1 9  4  76  o 6.9550  3.2320 ?              ?         
1 1 1 9  4  77  o 8.3000  3.5920 ?              ?         
1 1 1 9  4  78  o 8.8700  3.6920 ?              ?         
1 1 1 9  4  79  o 7.1930  3.1960 ?              ?         
1 1 1 9  4  80  o 7.1010  3.1960 ?              ?         
1 1 1 9  4  81  o 5.9570  2.9030 ?              ?         
1 1 1 9  4  82  o 7.3900  3.4330 ?              ?         
1 1 1 9  4  83  o 5.9990  2.0790 0.3778000      4.157000  
1 1 1 9  4  84  o 8.1230  2.5060 1.783000       5.011000  
1 1 1 9  4  85  o 6.2710  2.1040 -1.945000      4.208000  
1 1 1 9  4  86  o 6.7060  2.2060 -0.6805000     4.411000  
1 1 1 9  4  87  o 6.0010  2.0600 -1.097000      4.120000  
1 1 1 9  4  88  f 5.4120  1.9040 0.6115000      3.809000  
1 1 1 9  4  89  o 5.2440  1.8610 0.7370000      3.722000  
1 1 1 9  4  90  o 5.2250  1.8420 -0.1604000     3.684000  
1 1 1 9  4  91  o 5.0060  1.7460 -0.2878000     3.493000  
1 1 1 9  4  92  o 4.5830  1.6090 -0.1151000     3.219000  
1 1 1 9  4  93  o 4.4040  1.5460 -0.3574000     3.092000  
1 1 1 9  4  94  o 4.8760  1.6180 -0.9428000     3.235000  
1 1 1 9  4  95  o 4.2350  2.0540 ?              ?         
1 1 1 9  5  0   o 36.440  0.7205 -0.000000      0.000000  
1 1 1 9  5  1   o 37.480  0.5227 -0.8200000     1.045000  
1 1 1 9  5  2   o 30.220  0.4277 0.4840000      0.8554000 
1 1 1 9  5  3   o 42.250  0.5888 -1.032000      1.178000  
1 1 1 9  5  4   o 26.570  0.4127 -0.3207000     0.8254000 
1 1 1 9  5  5   o 30.230  0.4628 -0.4623000E-01 0.9257000 
1 1 1 9  5  6   o 42.430  0.6375 0.8640000      1.275000  
1 1 1 9  5  7   o 37.600  0.5687 -0.6074000     1.137000  
1 1 1 9  5  8   o 58.590  0.8803 -0.5577000     1.761000  
1 1 1 9  5  9   o 27.040  0.4736 2.415000       0.9472000 
1 1 1 9  5  10  o 37.800  0.5710 1.211000       1.142000  
1 1 1 9  5  11  o 31.420  0.4822 -0.6350000     0.9645000 
1 1 1 9  5  12  o 27.170  0.5047 0.4576000E-01  1.009000  
1 1 1 9  5  13  o 37.880  0.8605 -1.092000      1.721000  
1 1 1 9  5  14  f 21.430  0.5457 4.343000       1.091000  
1 1 1 9  5  15  o 33.310  0.7530 -2.781000      1.506000  
1 1 1 9  5  16  o 39.940  0.9053 -1.973000      1.811000  
1 1 1 9  5  17  o 22.100  0.5577 2.974000       1.115000  
1 1 1 9  5  18  f 13.820  0.5038 1.669000       1.008000  
1 1 1 9  5  19  o 54.480  1.2250 -4.419000      2.451000  
1 1 1 9  5  20  f 25.200  0.6318 4.505000       1.264000  
1 1 1 9  5  21  o 29.000  0.6970 2.061000       1.394000  
1 1 1 9  5  22  o 35.880  0.8827 -1.658000      1.765000  
1 1 1 9  5  23  o 26.460  0.6883 -0.8447000     1.377000  
1 1 1 9  5  24  o 22.890  0.6362 -0.2216000     1.272000  
1 1 1 9  5  25  o 29.270  0.9014 -0.1551000     1.803000  
1 1 1 9  5  26  o 24.050  0.6677 0.6045000      1.335000  
1 1 1 9  5  27  o 13.580  0.6352 1.979000       1.270000  
1 1 1 9  5  28  o 32.010  0.8223 -1.315000      1.645000  
1 1 1 9  5  29  o 49.330  1.2110 -0.3476000     2.423000  
1 1 1 9  5  30  o 22.080  0.6735 2.052000       1.347000  
1 1 1 9  5  31  o 23.060  0.6906 0.3606000E-01  1.381000  
1 1 1 9  5  32  o 8.0450  1.0970 1.063000       2.195000  
1 1 1 9  5  33  o 30.080  0.8094 0.2967000      1.619000  
1 1 1 9  5  34  o 50.200  1.2400 -0.7063000     2.479000  
1 1 1 9  5  35  o 44.780  1.1230 0.6924000      2.247000  
1 1 1 9  5  36  o 19.350  0.7446 2.496000       1.489000  
1 1 1 9  5  37  o 15.600  0.7802 -0.1362000     1.560000  
1 1 1 9  5  38  o 41.370  1.0490 -1.415000      2.098000  
1 1 1 9  5  39  o 60.390  1.4880 0.6702000      2.975000  
1 1 1 9  5  40  o 38.750  1.0040 -0.8030000     2.008000  
1 1 1 9  5  41  o 26.530  0.8168 0.8659000      1.634000  
1 1 1 9  5  42  o 49.590  1.2360 -3.014000      2.472000  
1 1 1 9  5  43  o 46.280  1.1740 -1.070000      2.347000  
1 1 1 9  5  44  f 27.040  0.8681 1.432000       1.736000  
1 1 1 9  5  45  o 35.510  0.9841 0.4667000      1.968000  
1 1 1 9  5  46  o 56.520  1.4220 0.6453000      2.843000  
1 1 1 9  5  47  o 9.6390  1.5490 2.493000       3.099000  
1 1 1 9  5  48  o 45.710  1.1940 -0.9821000E-01 2.387000  
1 1 1 9  5  49  o 10.650  1.5600 5.434000       3.120000  
1 1 1 9  5  50  o 19.160  1.0100 -0.4185000     2.019000  
1 1 1 9  5  51  o 6.5780  1.7730 -1.799000      3.545000  
1 1 1 9  5  52  f 34.290  1.0180 -1.610000      2.036000  
1 1 1 9  5  53  o 16.960  1.2240 -3.980000      2.448000  
1 1 1 9  5  54  o 30.090  1.0070 0.9907000      2.015000  
1 1 1 9  5  55  o 9.9470  2.1340 -4.895000      4.267000  
1 1 1 9  5  56  o 25.300  1.2990 1.762000       2.598000  
1 1 1 9  5  57  o 16.750  1.7320 2.077000       3.463000  
1 1 1 9  5  58  o 29.400  1.3320 0.9740000      2.664000  
1 1 1 9  5  59  o 7.2390  2.1850 -1.864000      4.369000  
1 1 1 9  5  60  f 31.310  1.3750 1.004000       2.751000  
1 1 1 9  5  61  o 13.650  2.2390 3.601000       4.478000  
1 1 1 9  5  62  o 12.080  2.4400 -2.141000      4.880000  
1 1 1 9  5  63  o 8.1660  2.3050 1.523000       4.611000  
1 1 1 9  5  64  o 8.0010  2.3560 1.059000       4.713000  
1 1 1 9  5  65  o 7.7050  2.2710 -4.447000      4.542000  
1 1 1 9  5  66  o 14.960  2.3300 0.2998000      4.660000  
1 1 1 9  5  67  o 7.8460  2.3290 0.4737000      4.659000  
1 1 1 9  5  68  o 23.820  1.7250 -1.216000      3.451000  
1 1 1 9  5  69  o 27.190  1.6440 1.981000       3.289000  
1 1 1 9  5  70  o 8.3000  2.4920 -0.1265000     4.984000  
1 1 1 9  5  71  o 13.180  2.7210 -0.6462000     5.441000  
1 1 1 9  5  72  o 7.1880  2.3160 -0.6639000     4.632000  
1 1 1 9  5  73  o 7.6810  2.4330 -2.173000      4.865000  
1 1 1 9  5  74  o 8.8380  2.6000 -3.422000      5.199000  
1 1 1 9  5  75  o 12.040  2.8790 -2.797000      5.758000  
1 1 1 9  5  76  o 10.280  2.6490 4.585000       5.297000  
1 1 1 9  5  77  o 10.610  2.7410 3.555000       5.483000  
1 1 1 9  5  78  o 6.8070  2.2270 0.2155000      4.455000  
1 1 1 9  5  79  o 6.9820  2.3010 -0.5400000     4.601000  
1 1 1 9  5  80  o 6.6210  2.2260 -0.5894000     4.452000  
1 1 1 9  5  81  o 5.9770  2.0650 -1.274000      4.129000  
1 1 1 9  5  82  o 5.9320  2.0580 -1.680000      4.116000  
1 1 1 9  5  83  o 6.8490  2.2790 2.205000       4.558000  
1 1 1 9  5  84  o 7.2170  2.3530 -1.569000      4.706000  
1 1 1 9  5  85  o 5.6780  1.9690 0.2171000      3.938000  
1 1 1 9  5  86  o 8.0910  2.3710 3.689000       4.743000  
1 1 1 9  5  87  o 6.2670  2.0980 1.634000       4.196000  
1 1 1 9  5  88  o 5.8710  2.0390 0.6348000      4.077000  
1 1 1 9  5  89  o 6.4910  2.2100 1.086000       4.420000  
1 1 1 9  5  90  o 5.3820  1.8850 0.8891000      3.769000  
1 1 1 9  5  91  o 5.0840  1.7780 0.3726000      3.556000  
1 1 1 9  5  92  o 4.4520  1.5800 -0.3002000E-01 3.160000  
1 1 1 9  5  93  o 3.8160  1.3540 -0.5358000     2.708000  
1 1 1 9  5  94  f 4.3020  1.4520 -0.9825000     2.905000  
1 1 1 9  6  0   o 18.870  0.4192 0.000000       0.000000  
1 1 1 9  6  1   o 17.630  0.2841 0.1397000      0.5682000 
1 1 1 9  6  2   o 9.5800  0.2621 -0.9833000     0.5241000 
1 1 1 9  6  3   o 10.080  0.2635 -0.3849000     0.5269000 
1 1 1 9  6  4   o 35.550  0.5004 0.7590000E-01  1.001000  
1 1 1 9  6  5   o 52.050  0.7219 -1.296000      1.444000  
1 1 1 9  6  6   o 35.150  0.5338 -0.2528000     1.068000  
1 1 1 9  6  7   o 10.960  0.3432 0.4177000      0.6864000 
1 1 1 9  6  8   o 35.730  0.5409 1.974000       1.082000  
1 1 1 9  6  9   o 40.180  0.6063 0.2509000E-01  1.213000  
1 1 1 9  6  10  o 20.780  0.3447 0.8230000      0.6893000 
1 1 1 9  6  11  o 6.3290  0.5194 -5.874000      1.039000  
1 1 1 9  6  12  o 41.770  0.6332 1.787000       1.266000  
1 1 1 9  6  13  o 31.910  0.4961 0.2771000      0.9922000 
1 1 1 9  6  14  f 16.800  0.3991 -2.509000      0.7981000 
1 1 1 9  6  15  o 40.470  0.9322 ?              ?         
1 1 1 9  6  16  o 6.4900  0.6971 ?              ?         
1 1 1 9  6  17  o 19.190  0.5205 ?              ?         
1 1 1 9  6  18  o 16.070  0.3969 0.8970000      0.7937000 
1 1 1 9  6  19  o 35.510  0.6558 -1.755000      1.312000  
1 1 1 9  6  20  o 22.330  0.4758 0.8832000      0.9517000 
1 1 1 9  6  21  o 30.760  0.7127 -2.357000      1.425000  
1 1 1 9  6  22  o 26.570  0.6447 -0.6762000E-01 1.289000  
1 1 1 9  6  23  o 27.200  0.6672 1.698000       1.334000  
1 1 1 9  6  24  o 27.450  0.6656 0.3465000      1.331000  
1 1 1 9  6  25  o 18.400  0.5859 -0.8520000     1.172000  
1 1 1 9  6  26  f 25.430  0.6931 0.4732000      1.386000  
1 1 1 9  6  27  o 34.170  0.8564 -2.713000      1.713000  
1 1 1 9  6  28  o 21.740  0.6583 3.144000       1.317000  
1 1 1 9  6  29  o 30.890  0.7995 -1.225000      1.599000  
1 1 1 9  6  30  o 10.590  0.8328 2.037000       1.666000  
1 1 1 9  6  31  o 27.360  0.7469 -0.7250000     1.494000  
1 1 1 9  6  32  o 16.890  0.6707 -0.4929000     1.341000  
1 1 1 9  6  33  o 24.990  0.7301 -0.3913000     1.460000  
1 1 1 9  6  34  o 22.330  0.7153 -1.006000      1.431000  
1 1 1 9  6  35  o 45.310  1.1260 -0.8695000     2.253000  
1 1 1 9  6  36  o 29.500  0.8118 -0.4275000     1.624000  
1 1 1 9  6  37  o 30.310  0.8344 0.8018000      1.669000  
1 1 1 9  6  38  f 28.770  0.8111 -1.000000      1.622000  
1 1 1 9  6  39  o 29.150  0.8325 0.7119000      1.665000  
1 1 1 9  6  40  o 44.170  1.1170 -0.7019000     2.233000  
1 1 1 9  6  41  o 31.130  0.8751 0.6928000E-01  1.750000  
1 1 1 9  6  42  o 20.150  0.8233 -0.7502000     1.647000  
1 1 1 9  6  43  o 32.920  0.9158 -0.4782000     1.832000  
1 1 1 9  6  44  f 39.010  1.0300 -0.5710000     2.059000  
1 1 1 9  6  45  o 19.570  0.9040 3.528000       1.808000  
1 1 1 9  6  46  o 36.930  1.0040 -0.4324000     2.008000  
1 1 1 9  6  47  o 46.750  1.2210 2.171000       2.441000  
1 1 1 9  6  48  o 22.210  0.9100 -1.049000      1.820000  
1 1 1 9  6  49  o 9.4510  1.6210 -1.983000      3.243000  
1 1 1 9  6  50  o 22.440  0.9622 1.688000       1.924000  
1 1 1 9  6  51  f 27.920  0.9686 1.399000       1.937000  
1 1 1 9  6  52  o 23.790  0.9946 1.846000       1.989000  
1 1 1 9  6  53  o 22.460  1.0510 0.8712000      2.102000  
1 1 1 9  6  54  o 44.790  1.2120 -0.7447000     2.424000  
1 1 1 9  6  55  o 13.920  1.4860 -2.588000      2.971000  
1 1 1 9  6  56  o 12.850  1.6250 -0.6346000     3.249000  
1 1 1 9  6  57  o 46.100  1.2580 0.6794000      2.515000  
1 1 1 9  6  58  o 19.760  1.2690 3.782000       2.539000  
1 1 1 9  6  59  o 22.320  1.1670 0.6499000      2.334000  
1 1 1 9  6  60  o 13.730  2.1960 -1.258000      4.392000  
1 1 1 9  6  61  o 12.980  2.1430 -9.532000      4.286000  
1 1 1 9  6  62  o 16.210  2.1520 3.241000       4.305000  
1 1 1 9  6  63  o 21.450  1.7400 -2.253000      3.481000  
1 1 1 9  6  64  o 15.250  2.2930 -0.8769000E-01 4.585000  
1 1 1 9  6  65  o 7.7570  2.2860 -3.326000      4.571000  
1 1 1 9  6  66  o 9.1830  2.4950 -1.337000      4.990000  
1 1 1 9  6  67  o 13.910  2.3910 -0.5525000E-01 4.782000  
1 1 1 9  6  68  o 7.4460  2.2810 1.425000       4.562000  
1 1 1 9  6  69  o 7.8000  2.3540 -2.168000      4.709000  
1 1 1 9  6  70  o 6.6340  2.1770 -0.7380000     4.353000  
1 1 1 9  6  71  o 8.7790  2.5090 -0.3103000     5.017000  
1 1 1 9  6  72  o 10.290  2.6120 2.184000       5.223000  
1 1 1 9  6  73  o 9.0710  2.6420 -2.486000      5.285000  
1 1 1 9  6  74  o 8.1970  2.4580 2.640000       4.917000  
1 1 1 9  6  75  o 7.7140  2.4590 -0.8288000     4.919000  
1 1 1 9  6  76  f 7.3240  2.3470 0.8301000      4.694000  
1 1 1 9  6  77  o 8.0120  2.5100 -1.694000      5.021000  
1 1 1 9  6  78  o 6.7540  2.2350 0.4288000      4.470000  
1 1 1 9  6  79  o 5.7170  1.9740 -1.281000      3.949000  
1 1 1 9  6  80  o 6.4440  2.1650 -0.5168000     4.331000  
1 1 1 9  6  81  f 6.3560  2.1500 -1.656000      4.299000  
1 1 1 9  6  82  o 8.5010  2.5670 -1.680000      5.134000  
1 1 1 9  6  83  o 6.6170  2.1940 -0.4454000     4.389000  
1 1 1 9  6  84  o 6.1370  2.0740 0.4182000      4.148000  
1 1 1 9  6  85  o 6.0250  2.0510 0.3134000E-01  4.103000  
1 1 1 9  6  86  o 5.7040  1.9680 0.4609000      3.935000  
1 1 1 9  6  87  o 5.5850  1.9310 -0.2565000     3.863000  
1 1 1 9  6  88  o 6.1120  2.0800 -0.2651000     4.160000  
1 1 1 9  6  89  o 5.1940  1.8290 0.8726000      3.658000  
1 1 1 9  6  90  o 4.5560  1.6230 0.1704000      3.246000  
1 1 1 9  6  91  o 4.3630  1.5550 -0.3627000     3.109000  
1 1 1 9  6  92  o 4.3800  1.5490 0.6543000      3.098000  
1 1 1 9  6  93  f 4.3390  1.5080 1.062000       3.016000  
1 1 1 9  6  94  o 4.5870  2.2560 ?              ?         
1 1 1 9  7  0   o 38.190  0.7569 -0.000000      0.000000  
1 1 1 9  7  1   o 25.030  0.3668 -0.6444000     0.7335000 
1 1 1 9  7  2   o 11.200  0.2886 0.5882000      0.5772000 
1 1 1 9  7  3   o 18.260  0.2939 0.2680000      0.5878000 
1 1 1 9  7  4   o 42.680  0.5955 -0.6484000     1.191000  
1 1 1 9  7  5   o 21.970  0.3628 0.6362000E-01  0.7256000 
1 1 1 9  7  6   o 26.260  0.3833 0.1460000      0.7666000 
1 1 1 9  7  7   o 48.020  0.6694 1.205000       1.339000  
1 1 1 9  7  8   o 51.640  0.7758 -1.123000      1.552000  
1 1 1 9  7  9   o 34.210  0.5222 1.112000       1.044000  
1 1 1 9  7  10  o 18.080  0.3961 -1.321000      0.7922000 
1 1 1 9  7  11  o 36.100  0.5502 1.033000       1.100000  
1 1 1 9  7  12  o 44.830  0.6747 2.403000       1.349000  
1 1 1 9  7  13  o 34.200  0.5269 -0.8132000     1.054000  
1 1 1 9  7  14  o 43.300  0.6573 0.9693000      1.315000  
1 1 1 9  7  15  o 14.220  0.4022 -6.638000      0.8044000 
1 1 1 9  7  16  o 32.430  0.5425 -1.133000      1.085000  
1 1 1 9  7  17  o 10.410  0.4899 -1.141000      0.9798000 
1 1 1 9  7  18  o 40.790  0.7504 0.1483000      1.501000  
1 1 1 9  7  19  o 34.220  0.6399 0.5872000      1.280000  
1 1 1 9  7  20  o 43.380  0.7914 -0.8626000     1.583000  
1 1 1 9  7  21  o 29.950  0.7234 ?              ?         
1 1 1 9  7  22  o 34.540  0.6474 -1.967000      1.295000  
1 1 1 9  7  23  o 19.520  0.7003 ?              ?         
1 1 1 9  7  24  o 49.540  0.9001 -2.002000      1.800000  
1 1 1 9  7  25  o 42.620  0.7881 0.5159000      1.576000  
1 1 1 9  7  26  o 42.550  0.7851 -1.161000      1.570000  
1 1 1 9  7  27  o 35.760  0.6897 0.9561000      1.379000  
1 1 1 9  7  28  o 25.500  0.7102 0.7347000E-01  1.420000  
1 1 1 9  7  29  o 47.510  1.1690 0.1720000E-01  2.338000  
1 1 1 9  7  30  o 44.980  1.2990 -1.365000      2.599000  
1 1 1 9  7  31  o 40.990  1.0290 0.3574000      2.058000  
1 1 1 9  7  32  o 35.790  0.9352 3.851000       1.870000  
1 1 1 9  7  33  o 5.4900  1.2330 2.728000       2.465000  
1 1 1 9  7  34  o 10.060  0.9332 0.4461000      1.866000  
1 1 1 9  7  35  o 29.460  0.8008 -1.643000      1.602000  
1 1 1 9  7  36  o 16.330  0.7637 2.300000       1.527000  
1 1 1 9  7  37  o 48.900  1.2090 -1.627000      2.418000  
1 1 1 9  7  38  o 28.320  0.8165 1.004000       1.633000  
1 1 1 9  7  39  o 18.580  0.7874 -1.730000      1.575000  
1 1 1 9  7  40  o 29.660  0.8606 0.3111000      1.721000  
1 1 1 9  7  41  o 62.030  1.5270 -1.097000      3.054000  
1 1 1 9  7  42  o 28.610  0.8634 3.536000       1.727000  
1 1 1 9  7  43  o 30.940  0.8814 -1.018000      1.763000  
1 1 1 9  7  44  f 27.830  0.8701 -0.8685000     1.740000  
1 1 1 9  7  45  o 47.160  1.2070 1.090000       2.415000  
1 1 1 9  7  46  o 19.950  0.8783 -1.472000      1.757000  
1 1 1 9  7  47  o 26.170  0.8884 1.994000       1.777000  
1 1 1 9  7  48  o 18.350  0.9661 -2.433000      1.932000  
1 1 1 9  7  49  o 7.6800  1.7250 -0.2044000     3.449000  
1 1 1 9  7  50  o 8.2960  1.5540 -5.910000      3.107000  
1 1 1 9  7  51  o 13.560  1.3290 3.309000       2.658000  
1 1 1 9  7  52  o 40.870  1.1200 0.6337000      2.240000  
1 1 1 9  7  53  o 16.040  1.2830 2.314000       2.565000  
1 1 1 9  7  54  o 6.3500  1.7920 -0.8596000     3.584000  
1 1 1 9  7  55  o 23.820  1.0210 0.7419000      2.041000  
1 1 1 9  7  56  f 24.040  1.1010 -1.273000      2.201000  
1 1 1 9  7  57  o 9.5530  2.0470 -0.9408000     4.094000  
1 1 1 9  7  58  o 16.660  1.4320 3.428000       2.864000  
1 1 1 9  7  59  o 20.800  1.2370 -0.7889000     2.475000  
1 1 1 9  7  60  o 13.590  1.8330 -3.090000      3.666000  
1 1 1 9  7  61  o 18.500  1.5100 1.972000       3.019000  
1 1 1 9  7  62  o 6.2050  1.9400 0.5789000      3.880000  
1 1 1 9  7  63  o 10.840  2.1180 -3.213000      4.235000  
1 1 1 9  7  64  o 8.4270  2.1640 -1.938000      4.327000  
1 1 1 9  7  65  o 18.290  1.5410 -1.767000      3.081000  
1 1 1 9  7  66  o 22.980  1.6950 -1.121000      3.390000  
1 1 1 9  7  67  o 9.4430  2.6160 -2.844000      5.232000  
1 1 1 9  7  68  o 9.3540  2.3930 4.205000       4.786000  
1 1 1 9  7  69  o 10.450  2.7020 -0.4821000     5.405000  
1 1 1 9  7  70  o 11.030  2.6640 -5.062000      5.329000  
1 1 1 9  7  71  o 9.1590  2.6040 -1.871000      5.207000  
1 1 1 9  7  72  o 8.2940  2.4930 -0.8201000     4.985000  
1 1 1 9  7  73  o 7.6420  2.3600 1.960000       4.721000  
1 1 1 9  7  74  o 10.440  2.7580 -2.180000      5.515000  
1 1 1 9  7  75  o 9.6470  2.6530 -3.982000      5.306000  
1 1 1 9  7  76  o 8.0330  2.5050 -2.408000      5.010000  
1 1 1 9  7  77  o 6.9870  2.2840 -0.7706000     4.567000  
1 1 1 9  7  78  o 7.0480  2.3070 -1.639000      4.614000  
1 1 1 9  7  79  o 5.7680  1.9930 -0.5188000     3.986000  
1 1 1 9  7  80  o 6.0170  2.0600 -1.073000      4.120000  
1 1 1 9  7  81  o 7.0730  2.3150 0.9783000      4.630000  
1 1 1 9  7  82  o 6.2580  2.1160 -1.133000      4.232000  
1 1 1 9  7  83  o 7.1140  2.2460 2.161000       4.492000  
1 1 1 9  7  84  o 5.9040  1.9990 -1.323000      3.999000  
1 1 1 9  7  85  o 6.1510  2.0710 0.5487000      4.143000  
1 1 1 9  7  86  o 6.7380  2.2240 -0.1715000     4.448000  
1 1 1 9  7  87  o 5.5800  1.9290 0.9469000E-01  3.859000  
1 1 1 9  7  88  o 5.6710  1.9630 -0.8449000     3.926000  
1 1 1 9  7  89  o 6.7870  2.2000 -1.708000      4.399000  
1 1 1 9  7  90  f 4.2390  1.5180 -0.4541000     3.036000  
1 1 1 9  7  91  o 4.7970  1.6770 0.7615000E-01  3.354000  
1 1 1 9  7  92  o 4.5050  1.5540 -0.1501000     3.108000  
1 1 1 9  7  93  o 3.9260  1.9840 ?              ?         
1 1 1 9  8  0   o 13.290  0.3862 -0.000000      0.000000  
1 1 1 9  8  1   o 9.9200  0.3094 -0.6865000     0.6188000 
1 1 1 9  8  2   o 35.800  0.5043 0.3817000      1.009000  
1 1 1 9  8  3   o 26.750  0.4208 -0.5878000     0.8416000 
1 1 1 9  8  4   o 54.250  0.7545 0.3969000      1.509000  
1 1 1 9  8  5   o 42.810  0.5991 -0.9755000     1.198000  
1 1 1 9  8  6   o 22.180  0.4001 0.2781000      0.8002000 
1 1 1 9  8  7   o 19.140  0.3101 -0.8695000E-01 0.6203000 
1 1 1 9  8  8   o 41.980  0.5887 1.295000       1.177000  
1 1 1 9  8  9   o 11.770  0.3718 1.102000       0.7437000 
1 1 1 9  8  10  f 42.350  0.7287 0.9708000E-01  1.457000  
1 1 1 9  8  11  o 31.390  0.5572 -0.1971000     1.114000  
1 1 1 9  8  12  o 49.960  0.7529 1.512000       1.506000  
1 1 1 9  8  13  o 28.830  0.4916 -3.804000      0.9833000 
1 1 1 9  8  14  o 16.420  0.3265 0.3586000E-02  0.6530000 
1 1 1 9  8  15  o 26.710  0.4669 -0.3413000E-01 0.9338000 
1 1 1 9  8  16  o 28.360  0.4808 -3.326000      0.9617000 
1 1 1 9  8  17  o 9.7170  0.4259 0.1920000      0.8518000 
1 1 1 9  8  18  o 22.650  0.4212 -0.8496000     0.8424000 
1 1 1 9  8  19  o 24.860  0.4473 -1.150000      0.8945000 
1 1 1 9  8  20  o 40.560  0.6698 -0.5447000     1.340000  
1 1 1 9  8  21  f 45.200  0.7388 0.1508000      1.478000  
1 1 1 9  8  22  o 29.270  0.5799 0.4270000      1.160000  
1 1 1 9  8  23  o 43.340  1.0070 ?              ?         
1 1 1 9  8  24  f 15.660  0.6982 ?              ?         
1 1 1 9  8  25  o 41.250  0.7653 -0.1697000     1.531000  
1 1 1 9  8  26  o 33.640  0.6480 -1.065000      1.296000  
1 1 1 9  8  27  o 29.410  0.5967 0.6849000      1.193000  
1 1 1 9  8  28  o 15.420  0.4838 0.1658000      0.9676000 
1 1 1 9  8  29  o 44.430  0.8199 -2.149000      1.640000  
1 1 1 9  8  30  o 26.040  0.5664 3.979000       1.133000  
1 1 1 9  8  31  o 23.550  0.6039 -2.333000      1.208000  
1 1 1 9  8  32  o 16.370  0.6268 0.2056000      1.254000  
1 1 1 9  8  33  f 18.050  0.6210 -0.3880000E-01 1.242000  
1 1 1 9  8  34  o 54.590  1.1000 -1.341000      2.199000  
1 1 1 9  8  35  o 37.840  0.9899 4.197000       1.980000  
1 1 1 9  8  36  o 16.710  0.7688 -0.7129000     1.538000  
1 1 1 9  8  37  o 75.950  1.8410 -5.212000      3.682000  
1 1 1 9  8  38  o 25.800  0.8681 12.69000       1.736000  
1 1 1 9  8  39  o 25.280  0.7954 0.2485000      1.591000  
1 1 1 9  8  40  f 38.290  0.9959 -0.8476000     1.992000  
1 1 1 9  8  41  o 23.900  0.8212 2.977000       1.642000  
1 1 1 9  8  42  o 10.590  1.1890 -1.390000      2.377000  
1 1 1 9  8  43  o 37.670  1.0060 1.623000       2.013000  
1 1 1 9  8  44  o 31.120  0.9092 2.925000       1.818000  
1 1 1 9  8  45  o 12.850  1.0830 -0.9019000     2.166000  
1 1 1 9  8  46  o 38.400  1.0340 0.6761000      2.069000  
1 1 1 9  8  47  o 25.990  0.9015 1.360000       1.803000  
1 1 1 9  8  48  o 26.490  0.9024 -2.429000      1.805000  
1 1 1 9  8  49  f 5.4490  1.6340 -0.3773000     3.267000  
1 1 1 9  8  50  f 21.260  0.9869 0.7995000      1.974000  
1 1 1 9  8  51  o 36.170  1.0420 -1.999000      2.085000  
1 1 1 9  8  52  o 6.5520  1.7260 3.732000       3.452000  
1 1 1 9  8  53  o 8.0320  1.8060 -2.391000      3.612000  
1 1 1 9  8  54  o 30.050  1.0170 0.5854000      2.034000  
1 1 1 9  8  55  o 13.040  1.6220 -1.088000      3.244000  
1 1 1 9  8  56  o 12.880  1.6810 -3.986000      3.362000  
1 1 1 9  8  57  o 17.460  1.2930 0.2439000      2.587000  
1 1 1 9  8  58  f 5.9360  2.6060 ?              ?         
1 1 1 9  8  59  o 9.1410  2.1220 0.1793000      4.243000  
1 1 1 9  8  60  o 16.260  1.6310 -3.571000      3.262000  
1 1 1 9  8  61  o 25.730  1.2210 0.9401000      2.442000  
1 1 1 9  8  62  o 19.790  1.4480 -3.674000      2.895000  
1 1 1 9  8  63  o 20.140  1.3630 1.379000       2.725000  
1 1 1 9  8  64  o 16.590  1.6350 -0.2146000     3.270000  
1 1 1 9  8  65  o 11.090  2.2690 1.373000       4.539000  
1 1 1 9  8  66  o 18.430  1.5760 -1.115000      3.152000  
1 1 1 9  8  67  f 12.200  2.1380 -4.871000      4.276000  
1 1 1 9  8  68  o 9.2700  2.3510 3.091000       4.701000  
1 1 1 9  8  69  o 8.0310  2.2480 0.5542000      4.496000  
1 1 1 9  8  70  o 11.180  2.3760 1.996000       4.752000  
1 1 1 9  8  71  o 7.2390  2.3250 -2.827000      4.650000  
1 1 1 9  8  72  o 7.7630  2.4360 0.8772000      4.873000  
1 1 1 9  8  73  o 8.5390  2.5570 0.4009000      5.114000  
1 1 1 9  8  74  o 7.2300  2.3680 -0.4627000     4.736000  
1 1 1 9  8  75  o 7.9430  2.4930 -4.624000      4.986000  
1 1 1 9  8  76  f 6.8620  2.2580 0.8913000E-01  4.516000  
1 1 1 9  8  77  o 6.9690  2.3080 -3.564000      4.617000  
1 1 1 9  8  78  o 5.1090  1.8090 -0.3705000     3.619000  
1 1 1 9  8  79  o 6.8500  2.2800 -0.9045000     4.560000  
1 1 1 9  8  80  o 6.0510  2.0700 -0.2925000     4.139000  
1 1 1 9  8  81  f 6.7050  2.2070 0.1943000      4.413000  
1 1 1 9  8  82  o 6.0190  2.0460 -1.341000      4.091000  
1 1 1 9  8  83  o 6.2560  2.0990 -0.8216000     4.197000  
1 1 1 9  8  84  o 6.1980  2.0810 0.3317000      4.162000  
1 1 1 9  8  85  o 5.5690  1.9320 0.4641000      3.864000  
1 1 1 9  8  86  f 5.3010  1.8640 0.1421000      3.729000  
1 1 1 9  8  87  o 4.8560  1.7220 1.127000       3.445000  
1 1 1 9  8  88  o 6.2380  2.1130 -0.1506000     4.226000  
1 1 1 9  8  89  o 5.6440  1.9420 0.3282000      3.885000  
1 1 1 9  8  90  o 4.7540  1.6790 -0.5998000E-01 3.358000  
1 1 1 9  8  91  o 4.4080  1.5470 -0.4634000     3.095000  
1 1 1 9  8  92  o 4.3040  1.4910 -0.2156000     2.983000  
1 1 1 9  9  0   o 9.5940  0.4954 0.000000       0.000000  
1 1 1 9  9  1   o 35.170  0.4975 0.7431000      0.9950000 
1 1 1 9  9  2   o 33.150  0.4735 -0.4232000     0.9469000 
1 1 1 9  9  3   o 32.520  0.4637 -0.6868000E-01 0.9274000 
1 1 1 9  9  4   o 16.880  0.3435 2.554000       0.6870000 
1 1 1 9  9  5   o 36.280  0.5127 0.5914000      1.025000  
1 1 1 9  9  6   o 23.750  0.3618 -0.7323000E-01 0.7237000 
1 1 1 9  9  7   o 32.940  0.5089 1.205000       1.018000  
1 1 1 9  9  8   o 46.390  0.6484 0.9550000E-01  1.297000  
1 1 1 9  9  9   o 20.490  0.3921 -0.7476000E-01 0.7842000 
1 1 1 9  9  10  o 44.080  0.6703 -1.307000      1.341000  
1 1 1 9  9  11  o 12.740  0.4237 0.4609000      0.8474000 
1 1 1 9  9  12  o 13.440  0.3182 -0.1074000E-02 0.6364000 
1 1 1 9  9  13  o 38.950  0.7277 7.151000       1.455000  
1 1 1 9  9  14  o 20.860  0.4627 -4.080000      0.9253000 
1 1 1 9  9  15  o 7.4420  0.4423 -1.234000      0.8846000 
1 1 1 9  9  16  o 29.130  0.5603 -1.462000      1.121000  
1 1 1 9  9  17  o 61.450  0.9261 0.8424000      1.852000  
1 1 1 9  9  18  o 50.900  0.7731 -0.6558000     1.546000  
1 1 1 9  9  19  o 30.340  0.6474 -1.156000      1.295000  
1 1 1 9  9  20  o 24.310  0.4487 0.5827000E-01  0.8975000 
1 1 1 9  9  21  o 20.680  0.4154 0.2535000      0.8308000 
1 1 1 9  9  22  f 34.460  0.6411 -2.305000      1.282000  
1 1 1 9  9  23  o 37.180  0.6225 0.8255000E-01  1.245000  
1 1 1 9  9  24  o 25.170  0.4716 0.4912000      0.9433000 
1 1 1 9  9  25  o 29.870  0.5905 -1.418000      1.181000  
1 1 1 9  9  26  o 8.1090  0.7651 ?              ?         
1 1 1 9  9  27  o 25.820  0.7982 ?              ?         
1 1 1 9  9  28  o 30.720  0.6123 0.3916000      1.225000  
1 1 1 9  9  29  o 39.730  0.7500 0.3068000      1.500000  
1 1 1 9  9  30  o 50.010  0.9168 -3.270000      1.834000  
1 1 1 9  9  31  o 76.890  1.3870 -3.066000      2.773000  
1 1 1 9  9  32  o 48.410  1.1310 ?              ?         
1 1 1 9  9  33  o 44.040  0.8259 0.4493000      1.652000  
1 1 1 9  9  34  f 21.020  0.9611 ?              ?         
1 1 1 9  9  35  o 53.170  1.0790 0.4969000      2.159000  
1 1 1 9  9  36  o 23.770  0.6765 0.9023000      1.353000  
1 1 1 9  9  37  o 21.240  0.6834 1.905000       1.367000  
1 1 1 9  9  38  o 29.380  0.7209 0.3399000E-01  1.442000  
1 1 1 9  9  39  o 30.950  0.7435 0.3108000      1.487000  
1 1 1 9  9  40  o 25.100  0.7046 1.599000       1.409000  
1 1 1 9  9  41  o 9.9800  1.7830 ?              ?         
1 1 1 9  9  42  o 10.920  1.1640 -2.121000      2.328000  
1 1 1 9  9  43  o 12.590  1.0880 -0.5735000     2.176000  
1 1 1 9  9  44  o 18.560  0.8926 -2.733000      1.785000  
1 1 1 9  9  45  o 19.600  0.8861 0.8140000      1.772000  
1 1 1 9  9  46  o 6.1010  1.5690 -3.168000      3.139000  
1 1 1 9  9  47  o 18.750  0.9440 0.9458000E-01  1.888000  
1 1 1 9  9  48  o 22.590  0.9321 0.4685000      1.864000  
1 1 1 9  9  49  o 34.090  0.9992 -1.150000      1.998000  
1 1 1 9  9  50  o 15.780  1.1860 2.052000       2.372000  
1 1 1 9  9  51  o 11.720  1.5280 -0.2531000     3.057000  
1 1 1 9  9  52  o 9.5210  1.8290 -0.5206000     3.657000  
1 1 1 9  9  53  o 28.860  1.0020 1.862000       2.003000  
1 1 1 9  9  54  o 23.210  1.0570 1.387000       2.114000  
1 1 1 9  9  55  o 11.790  1.7880 -3.582000      3.576000  
1 1 1 9  9  56  o 14.040  1.5950 2.612000       3.190000  
1 1 1 9  9  57  o 11.600  1.9290 -3.417000      3.858000  
1 1 1 9  9  58  o 29.380  1.1240 -2.042000      2.248000  
1 1 1 9  9  59  o 21.840  1.2540 -0.1199000     2.507000  
1 1 1 9  9  60  o 14.200  1.6480 -0.6508000     3.295000  
1 1 1 9  9  61  o 7.3050  2.0020 -1.825000      4.003000  
1 1 1 9  9  62  o 10.960  2.1430 1.979000       4.286000  
1 1 1 9  9  63  o 18.600  1.4570 1.533000       2.915000  
1 1 1 9  9  64  o 7.5740  3.0140 ?              ?         
1 1 1 9  9  65  o 12.760  2.1340 -1.197000      4.268000  
1 1 1 9  9  66  f 14.850  1.9400 2.903000       3.880000  
1 1 1 9  9  67  o 6.0160  1.8990 -2.574000      3.798000  
1 1 1 9  9  68  o 14.530  2.0040 0.1641000      4.008000  
1 1 1 9  9  69  o 8.7410  2.2990 2.258000       4.599000  
1 1 1 9  9  70  o 11.630  2.2590 -3.676000      4.519000  
1 1 1 9  9  71  f 6.9200  2.1320 0.8080000      4.265000  
1 1 1 9  9  72  o 6.4520  2.0210 2.840000       4.042000  
1 1 1 9  9  73  o 7.2160  2.1990 -0.2616000     4.397000  
1 1 1 9  9  74  o 5.2460  1.7960 0.5683000      3.592000  
1 1 1 9  9  75  o 8.5310  2.4800 1.267000       4.960000  
1 1 1 9  9  76  o 6.0490  2.0460 0.1263000      4.091000  
1 1 1 9  9  77  o 5.8800  2.0280 -1.126000      4.057000  
1 1 1 9  9  78  f 6.4160  2.1620 -0.7523000     4.324000  
1 1 1 9  9  79  o 6.8140  2.2590 -0.6667000     4.518000  
1 1 1 9  9  80  o 6.5370  2.1760 -0.9817000     4.351000  
1 1 1 9  9  81  o 6.4870  2.1410 -1.020000      4.282000  
1 1 1 9  9  82  o 5.5550  1.9040 0.4964000      3.809000  
1 1 1 9  9  83  o 6.1540  2.0440 1.780000       4.089000  
1 1 1 9  9  84  f 6.4260  2.1700 -1.717000      4.339000  
1 1 1 9  9  85  o 5.4990  1.9280 -0.7288000     3.855000  
1 1 1 9  9  86  f 5.1560  1.8300 -0.9095000     3.660000  
1 1 1 9  9  87  o 5.4700  1.9150 -1.027000      3.830000  
1 1 1 9  9  88  o 5.2280  1.8290 0.6418000      3.658000  
1 1 1 9  9  89  f 4.8820  1.7240 0.3088000      3.448000  
1 1 1 9  9  90  o 3.9100  1.4000 -0.1608000     2.800000  
1 1 1 9  9  91  o 4.0540  1.4260 0.1684000      2.852000  
1 1 1 9  10 0   o 13.830  0.4830 0.000000       0.000000  
1 1 1 9  10 1   o 23.040  0.3539 -0.1693000E-01 0.7079000 
1 1 1 9  10 2   o 10.330  0.4199 1.610000       0.8397000 
1 1 1 9  10 3   o 40.630  0.5725 -0.9508000E-01 1.145000  
1 1 1 9  10 4   o 14.340  0.3788 3.543000       0.7575000 
1 1 1 9  10 5   o 31.530  0.5252 -1.584000      1.050000  
1 1 1 9  10 6   o 43.040  0.6033 0.6406000      1.207000  
1 1 1 9  10 7   f 11.190  0.6596 ?              ?         
1 1 1 9  10 8   o 38.820  0.5489 0.4272000      1.098000  
1 1 1 9  10 9   o 29.060  0.4652 -3.280000      0.9304000 
1 1 1 9  10 10  o 38.130  0.5421 0.9712000E-02  1.084000  
1 1 1 9  10 11  o 36.520  0.5207 0.9774000E-01  1.041000  
1 1 1 9  10 12  o 40.430  0.5720 -0.5465000     1.144000  
1 1 1 9  10 13  o 19.510  0.3884 -0.6758000     0.7768000 
1 1 1 9  10 14  o 17.060  0.3453 0.8699000      0.6906000 
1 1 1 9  10 15  o 61.590  1.0600 -2.021000      2.119000  
1 1 1 9  10 16  o 25.660  0.6592 ?              ?         
1 1 1 9  10 17  o 32.980  0.5172 0.5143000      1.034000  
1 1 1 9  10 18  o 21.380  0.4798 -1.448000      0.9595000 
1 1 1 9  10 19  o 49.300  0.8027 2.924000       1.605000  
1 1 1 9  10 20  o 42.720  0.6570 1.199000       1.314000  
1 1 1 9  10 21  o 18.850  0.5416 -1.434000      1.083000  
1 1 1 9  10 22  o 37.630  0.6313 -0.4623000     1.263000  
1 1 1 9  10 23  o 19.470  0.5388 0.2635000      1.078000  
1 1 1 9  10 24  o 7.9740  0.6111 1.158000       1.222000  
1 1 1 9  10 25  f 28.810  0.5184 -1.046000      1.037000  
1 1 1 9  10 26  o 26.750  0.4977 -2.069000      0.9954000 
1 1 1 9  10 27  o 37.580  0.6358 -0.1339000     1.272000  
1 1 1 9  10 28  o 7.6320  1.0830 ?              ?         
1 1 1 9  10 29  o 39.680  0.7494 -2.860000      1.499000  
1 1 1 9  10 30  o 39.060  0.7491 2.183000       1.498000  
1 1 1 9  10 31  o 30.920  1.0020 ?              ?         
1 1 1 9  10 32  o 15.700  0.5486 4.637000       1.097000  
1 1 1 9  10 33  o 7.2180  0.9678 1.288000       1.936000  
1 1 1 9  10 34  f 25.090  0.5732 -0.9804000     1.146000  
1 1 1 9  10 35  f 8.1720  0.9570 3.254000       1.914000  
1 1 1 9  10 36  o 24.120  0.6840 0.3446000      1.368000  
1 1 1 9  10 37  o 62.270  1.2470 -1.371000      2.495000  
1 1 1 9  10 38  o 15.540  1.1730 ?              ?         
1 1 1 9  10 39  o 24.680  0.7178 0.5523000      1.436000  
1 1 1 9  10 40  o 25.220  0.7367 0.3042000      1.473000  
1 1 1 9  10 41  o 15.840  0.8519 0.1047000      1.704000  
1 1 1 9  10 42  o 35.770  0.8236 -1.068000      1.647000  
1 1 1 9  10 43  o 36.690  0.8461 0.1619000      1.692000  
1 1 1 9  10 44  o 23.230  0.7971 2.435000       1.594000  
1 1 1 9  10 45  o 19.800  0.8408 1.404000       1.682000  
1 1 1 9  10 46  o 22.950  0.8029 0.6715000      1.606000  
1 1 1 9  10 47  o 18.690  0.9035 0.7063000      1.807000  
1 1 1 9  10 48  o 8.0420  1.6520 -3.415000      3.303000  
1 1 1 9  10 49  o 21.140  0.9728 0.2134000      1.946000  
1 1 1 9  10 50  o 27.760  0.9482 -0.4856000     1.896000  
1 1 1 9  10 51  o 16.430  1.1760 -2.814000      2.352000  
1 1 1 9  10 52  o 14.960  1.3220 -3.268000      2.645000  
1 1 1 9  10 53  o 11.690  1.7070 0.2298000      3.415000  
1 1 1 9  10 54  o 14.710  1.4320 0.2819000      2.864000  
1 1 1 9  10 55  o 19.740  1.1590 -1.198000      2.318000  
1 1 1 9  10 56  o 25.360  1.1020 -1.778000      2.204000  
1 1 1 9  10 57  o 17.660  1.9730 ?              ?         
1 1 1 9  10 58  o 31.180  1.0860 -1.773000      2.171000  
1 1 1 9  10 59  o 8.4430  2.0360 0.6918000      4.072000  
1 1 1 9  10 60  o 8.8190  2.0310 4.210000       4.062000  
1 1 1 9  10 61  o 10.810  2.0760 -3.061000      4.152000  
1 1 1 9  10 62  o 30.180  1.1340 -1.317000      2.268000  
1 1 1 9  10 63  o 8.0480  2.1380 1.421000       4.277000  
1 1 1 9  10 64  o 7.9510  2.0100 -4.392000      4.020000  
1 1 1 9  10 65  o 6.0250  1.9100 -0.9445000E-01 3.819000  
1 1 1 9  10 66  o 10.040  2.2520 1.061000       4.505000  
1 1 1 9  10 67  o 9.3460  2.2620 -1.765000      4.524000  
1 1 1 9  10 68  o 7.0510  2.0570 -3.455000      4.113000  
1 1 1 9  10 69  o 16.130  1.8200 -1.977000      3.641000  
1 1 1 9  10 70  o 7.8280  2.2500 -1.552000      4.500000  
1 1 1 9  10 71  f 8.3320  3.3850 ?              ?         
1 1 1 9  10 72  o 8.2940  2.3220 -0.9067000     4.643000  
1 1 1 9  10 73  o 6.5720  2.0800 -0.5275000     4.160000  
1 1 1 9  10 74  o 15.990  1.9490 -3.939000      3.897000  
1 1 1 9  10 75  o 7.5560  2.0950 -3.863000      4.189000  
1 1 1 9  10 76  o 6.8300  2.0550 -3.071000      4.111000  
1 1 1 9  10 77  o 6.4130  2.0620 0.1180000      4.124000  
1 1 1 9  10 78  o 5.0200  1.7310 -1.611000      3.462000  
1 1 1 9  10 79  o 5.5780  1.8790 -0.5217000     3.757000  
1 1 1 9  10 80  o 6.0940  2.0360 0.4073000      4.072000  
1 1 1 9  10 81  o 5.9570  2.0190 0.4519000      4.037000  
1 1 1 9  10 82  o 6.5700  2.1640 0.5435000      4.328000  
1 1 1 9  10 83  o 5.4640  1.9120 -0.7283000     3.823000  
1 1 1 9  10 84  o 5.9880  2.0510 0.6048000      4.102000  
1 1 1 9  10 85  o 5.4950  1.9320 -0.6679000     3.865000  
1 1 1 9  10 86  o 5.2940  1.8690 -2.001000      3.738000  
1 1 1 9  10 87  o 4.7920  1.6990 -0.4396000     3.398000  
1 1 1 9  10 88  o 4.7700  1.6970 -1.404000      3.394000  
1 1 1 9  10 89  o 4.0790  1.4560 0.2603000      2.913000  
1 1 1 9  10 90  o 4.2840  1.4920 -0.8595000E-01 2.984000  
1 1 1 9  11 0   o 17.820  0.6249 -0.000000      0.000000  
1 1 1 9  11 1   f 63.770  0.8856 0.3380000      1.771000  
1 1 1 9  11 2   o 43.510  0.6597 0.8756000      1.319000  
1 1 1 9  11 3   o 17.990  0.6225 ?              ?         
1 1 1 9  11 4   o 81.830  1.1390 1.381000       2.277000  
1 1 1 9  11 5   f 32.690  0.6097 2.497000       1.219000  
1 1 1 9  11 6   o 21.490  0.3747 0.3410000      0.7494000 
1 1 1 9  11 7   o 35.760  0.5103 -0.4058000     1.021000  
1 1 1 9  11 8   o 23.490  0.4784 -0.6447000     0.9569000 
1 1 1 9  11 9   o 19.580  0.3869 -0.8153000     0.7738000 
1 1 1 9  11 10  o 55.930  0.7799 0.3348000      1.560000  
1 1 1 9  11 11  o 50.510  0.7061 0.9250000      1.412000  
1 1 1 9  11 12  o 38.690  0.6361 -2.903000      1.272000  
1 1 1 9  11 13  f 33.670  0.5285 2.474000       1.057000  
1 1 1 9  11 14  o 48.380  0.6793 -1.604000      1.359000  
1 1 1 9  11 15  o 16.090  0.4497 -3.789000      0.8995000 
1 1 1 9  11 16  o 48.290  0.8759 2.013000       1.752000  
1 1 1 9  11 17  o 24.790  0.6555 ?              ?         
1 1 1 9  11 18  o 9.8530  0.5668 4.114000       1.134000  
1 1 1 9  11 19  o 49.460  0.7520 0.6896000      1.504000  
1 1 1 9  11 20  o 61.830  0.9341 -1.496000      1.868000  
1 1 1 9  11 21  o 77.740  1.1680 0.3531000      2.335000  
1 1 1 9  11 22  o 32.580  0.6351 -2.025000      1.270000  
1 1 1 9  11 23  o 35.540  0.6042 -0.6226000     1.208000  
1 1 1 9  11 24  o 9.9810  0.7096 0.2815000      1.419000  
1 1 1 9  11 25  o 18.330  0.4505 0.1653000      0.9009000 
1 1 1 9  11 26  o 28.680  0.6054 2.047000       1.211000  
1 1 1 9  11 27  o 34.240  0.5931 -0.7073000     1.186000  
1 1 1 9  11 28  f 32.700  0.5753 -0.2467000     1.151000  
1 1 1 9  11 29  o 7.1210  1.0300 -0.8326000     2.060000  
1 1 1 9  11 30  o 24.110  0.4947 -1.982000      0.9895000 
1 1 1 9  11 31  o 23.690  0.5920 1.251000       1.184000  
1 1 1 9  11 32  o 18.750  0.5508 1.810000       1.102000  
1 1 1 9  11 33  o 51.330  1.1970 ?              ?         
1 1 1 9  11 34  o 28.900  0.7163 0.3746000      1.433000  
1 1 1 9  11 35  o 24.220  0.5898 -0.6602000     1.180000  
1 1 1 9  11 36  o 12.910  0.6864 0.1542000      1.373000  
1 1 1 9  11 37  o 30.950  0.6586 -0.9727000     1.317000  
1 1 1 9  11 38  o 15.030  0.6604 0.3947000      1.321000  
1 1 1 9  11 39  o 18.790  0.6899 -1.365000      1.380000  
1 1 1 9  11 40  o 25.840  0.6357 -0.8783000     1.271000  
1 1 1 9  11 41  o 17.840  0.7975 0.8189000E-01  1.595000  
1 1 1 9  11 42  o 27.000  0.7599 0.5124000      1.520000  
1 1 1 9  11 43  o 23.000  0.7847 0.9372000      1.569000  
1 1 1 9  11 44  o 8.8480  1.3760 6.276000       2.751000  
1 1 1 9  11 45  o 22.390  0.8080 -2.082000      1.616000  
1 1 1 9  11 46  o 32.130  0.8367 1.289000       1.673000  
1 1 1 9  11 47  o 24.540  0.8101 1.478000       1.620000  
1 1 1 9  11 48  o 21.290  1.2540 ?              ?         
1 1 1 9  11 49  f 20.070  0.9495 2.017000       1.899000  
1 1 1 9  11 50  o 11.100  1.5180 -0.2483000     3.037000  
1 1 1 9  11 51  o 13.080  1.3580 -2.173000      2.716000  
1 1 1 9  11 52  f 18.200  1.0790 -2.921000      2.157000  
1 1 1 9  11 53  o 10.680  1.7970 -0.3924000     3.594000  
1 1 1 9  11 54  o 27.330  1.0310 -1.885000      2.062000  
1 1 1 9  11 55  o 6.6240  1.8860 -0.1854000     3.771000  
1 1 1 9  11 56  o 12.150  1.7300 3.272000       3.460000  
1 1 1 9  11 57  o 13.650  1.6250 2.194000       3.249000  
1 1 1 9  11 58  o 21.960  1.1680 -0.8927000     2.335000  
1 1 1 9  11 59  o 9.9000  2.0010 -2.389000      4.003000  
1 1 1 9  11 60  o 16.730  1.5230 1.792000       3.046000  
1 1 1 9  11 61  o 7.2400  2.0490 -1.484000      4.097000  
1 1 1 9  11 62  o 12.120  2.0110 1.959000       4.021000  
1 1 1 9  11 63  o 8.3700  2.1510 1.302000       4.303000  
1 1 1 9  11 64  o 11.280  2.1040 3.713000       4.208000  
1 1 1 9  11 65  o 19.650  1.4250 -2.663000      2.850000  
1 1 1 9  11 66  f 8.0050  2.1210 2.887000       4.242000  
1 1 1 9  11 67  o 10.710  2.2170 -1.908000      4.435000  
1 1 1 9  11 68  o 8.0040  2.2380 0.6555000      4.477000  
1 1 1 9  11 69  o 10.420  2.3370 1.365000       4.675000  
1 1 1 9  11 70  o 11.070  2.2650 -3.801000      4.529000  
1 1 1 9  11 71  o 9.5770  2.3760 1.003000       4.752000  
1 1 1 9  11 72  f 5.2340  1.7780 0.1982000      3.555000  
1 1 1 9  11 73  o 6.1630  1.9820 0.9450000      3.964000  
1 1 1 9  11 74  o 7.1340  2.1000 2.323000       4.200000  
1 1 1 9  11 75  o 6.3960  2.0430 -0.6450000     4.085000  
1 1 1 9  11 76  o 7.1460  2.1820 -0.8084000     4.364000  
1 1 1 9  11 77  o 5.8550  1.9360 -0.2022000     3.873000  
1 1 1 9  11 78  o 7.5660  3.1080 ?              ?         
1 1 1 9  11 79  f 6.9370  2.1340 2.474000       4.268000  
1 1 1 9  11 80  o 5.3440  1.7940 -0.6674000     3.588000  
1 1 1 9  11 81  o 5.2270  1.7790 -0.4993000E-01 3.559000  
1 1 1 9  11 82  o 6.0600  1.9790 -0.2528000     3.958000  
1 1 1 9  11 83  o 5.5120  1.8530 -1.208000      3.706000  
1 1 1 9  11 84  o 6.3760  2.1460 -0.3414000     4.292000  
1 1 1 9  11 85  o 5.9210  2.0030 0.1995000      4.007000  
1 1 1 9  11 86  o 5.4290  1.8500 0.4223000      3.701000  
1 1 1 9  11 87  o 4.9990  1.7350 0.1901000      3.470000  
1 1 1 9  11 88  o 4.2770  1.5130 -1.347000      3.026000  
1 1 1 9  11 89  o 4.7280  1.6160 1.525000       3.232000  
1 1 1 9  12 0   o 51.200  1.4300 -0.000000      0.000000  
1 1 1 9  12 1   o 65.180  0.9069 -2.444000      1.814000  
1 1 1 9  12 2   o 31.840  0.5346 0.8977000      1.069000  
1 1 1 9  12 3   o 25.400  0.4515 -2.568000      0.9030000 
1 1 1 9  12 4   o 65.950  0.9190 2.280000       1.838000  
1 1 1 9  12 5   o 65.660  0.9140 -1.196000      1.828000  
1 1 1 9  12 6   o 43.010  0.7016 0.2721000      1.403000  
1 1 1 9  12 7   o 12.150  0.5490 7.837000       1.098000  
1 1 1 9  12 8   o 24.450  0.4401 0.4775000      0.8803000 
1 1 1 9  12 9   o 47.850  0.6702 0.8549000E-01  1.340000  
1 1 1 9  12 10  o 42.970  0.6090 0.4995000      1.218000  
1 1 1 9  12 11  o 15.320  0.4671 1.900000       0.9343000 
1 1 1 9  12 12  o 26.100  0.4043 0.1310000      0.8086000 
1 1 1 9  12 13  o 24.100  0.4403 3.952000       0.8805000 
1 1 1 9  12 14  o 45.480  0.6432 -0.5226000     1.286000  
1 1 1 9  12 15  o 60.310  0.8431 1.823000       1.686000  
1 1 1 9  12 16  o 64.760  0.9012 0.4491000E-01  1.802000  
1 1 1 9  12 17  o 40.360  0.7045 1.806000       1.409000  
1 1 1 9  12 18  o 36.180  0.6122 -1.225000      1.224000  
1 1 1 9  12 19  o 49.680  0.7555 -0.3920000     1.511000  
1 1 1 9  12 20  o 55.540  0.8419 -1.616000      1.684000  
1 1 1 9  12 21  o 28.780  0.5857 -1.620000      1.171000  
1 1 1 9  12 22  o 47.860  0.7324 -0.2432000     1.465000  
1 1 1 9  12 23  o 65.460  0.9868 -0.8985000E-01 1.974000  
1 1 1 9  12 24  o 17.940  0.5932 1.051000       1.186000  
1 1 1 9  12 25  o 74.280  1.3580 2.841000       2.715000  
1 1 1 9  12 26  o 26.390  0.6385 -2.218000      1.277000  
1 1 1 9  12 27  o 9.2630  0.6414 1.829000       1.283000  
1 1 1 9  12 28  o 9.3340  0.6373 -1.016000      1.275000  
1 1 1 9  12 29  o 28.730  0.5331 -1.412000      1.066000  
1 1 1 9  12 30  o 7.5530  1.0130 -3.296000      2.026000  
1 1 1 9  12 31  o 24.890  0.5157 1.165000       1.031000  
1 1 1 9  12 32  o 69.720  1.1320 -1.035000      2.265000  
1 1 1 9  12 33  o 39.970  0.7809 -2.032000      1.562000  
1 1 1 9  12 34  o 40.220  0.7870 1.282000       1.574000  
1 1 1 9  12 35  o 29.760  0.6452 0.4506000      1.290000  
1 1 1 9  12 36  o 12.950  0.7147 1.148000       1.429000  
1 1 1 9  12 37  o 28.230  0.6388 -1.075000      1.278000  
1 1 1 9  12 38  f 11.550  0.7965 4.305000       1.593000  
1 1 1 9  12 39  o 21.320  0.6385 -0.4433000E-01 1.277000  
1 1 1 9  12 40  o 15.380  0.7106 1.764000       1.421000  
1 1 1 9  12 41  o 33.380  0.7828 -1.397000      1.566000  
1 1 1 9  12 42  o 31.700  0.7177 0.4625000      1.435000  
1 1 1 9  12 43  o 6.7000  1.3870 1.955000       2.774000  
1 1 1 9  12 44  o 23.390  0.7869 -1.818000      1.574000  
1 1 1 9  12 45  o 22.050  0.8141 -0.7284000E-01 1.628000  
1 1 1 9  12 46  o 7.8620  1.6770 0.2019000E-01  3.353000  
1 1 1 9  12 47  o 19.310  0.9558 1.885000       1.912000  
1 1 1 9  12 48  o 37.120  0.9018 0.6586000E-01  1.804000  
1 1 1 9  12 49  o 18.440  1.0540 5.871000       2.107000  
1 1 1 9  12 50  o 6.4670  1.7110 -2.124000      3.422000  
1 1 1 9  12 51  o 14.250  1.2330 -0.7519000     2.465000  
1 1 1 9  12 52  o 11.450  1.5690 0.8413000      3.139000  
1 1 1 9  12 53  o 20.900  0.9764 1.924000       1.953000  
1 1 1 9  12 54  o 19.460  1.0590 -1.086000      2.119000  
1 1 1 9  12 55  o 8.0740  1.8940 -1.815000      3.788000  
1 1 1 9  12 56  o 19.340  1.1600 -2.651000      2.319000  
1 1 1 9  12 57  o 7.9640  1.9210 -3.804000      3.842000  
1 1 1 9  12 58  o 21.660  1.2160 1.199000       2.431000  
1 1 1 9  12 59  f 16.020  1.5180 -2.285000      3.037000  
1 1 1 9  12 60  o 8.7660  2.0890 2.382000       4.177000  
1 1 1 9  12 61  o 10.460  2.0780 0.8965000E-01  4.157000  
1 1 1 9  12 62  o 8.1580  2.0830 2.778000       4.167000  
1 1 1 9  12 63  o 10.630  2.0880 -0.7743000     4.176000  
1 1 1 9  12 64  o 5.7480  1.8350 1.303000       3.670000  
1 1 1 9  12 65  o 8.1430  2.1140 2.600000       4.228000  
1 1 1 9  12 66  o 7.3970  2.1200 -0.6299000     4.241000  
1 1 1 9  12 67  o 6.8790  2.0810 0.1771000      4.163000  
1 1 1 9  12 68  o 5.3870  1.7930 0.3561000      3.587000  
1 1 1 9  12 69  o 6.6250  2.0420 0.1887000      4.083000  
1 1 1 9  12 70  o 10.450  2.2140 4.767000       4.427000  
1 1 1 9  12 71  o 7.2620  2.1270 1.250000       4.254000  
1 1 1 9  12 72  o 6.1590  1.9630 -1.174000      3.927000  
1 1 1 9  12 73  o 6.6300  2.0590 -0.7507000E-01 4.118000  
1 1 1 9  12 74  o 5.8610  1.9350 -0.5683000     3.870000  
1 1 1 9  12 75  o 7.3220  2.1940 0.6681000      4.388000  
1 1 1 9  12 76  f 6.2700  1.9920 2.316000       3.984000  
1 1 1 9  12 77  o 6.7880  2.0920 -0.8137000     4.184000  
1 1 1 9  12 78  o 5.7450  1.8920 0.6870000      3.785000  
1 1 1 9  12 79  o 6.9740  2.1210 1.109000       4.242000  
1 1 1 9  12 80  o 5.5160  1.8450 1.025000       3.689000  
1 1 1 9  12 81  o 5.5410  1.8530 0.9027000E-01  3.706000  
1 1 1 9  12 82  o 5.0900  1.7470 -0.3213000     3.494000  
1 1 1 9  12 83  o 6.3460  1.9550 -2.169000      3.910000  
1 1 1 9  12 84  o 4.9790  1.6930 1.043000       3.386000  
1 1 1 9  12 85  o 3.9890  1.4110 0.9725000E-01  2.821000  
1 1 1 9  12 86  o 4.4150  2.1520 ?              ?         
1 1 1 9  12 87  o 3.5890  1.7800 ?              ?         
1 1 1 9  12 88  o 4.7380  1.6250 -0.7173000E-01 3.249000  
1 1 1 9  13 0   o 32.880  0.9602 -0.000000      0.000000  
1 1 1 9  13 1   o 60.890  0.8492 0.2744000      1.698000  
1 1 1 9  13 2   o 38.190  0.6329 -0.5005000     1.266000  
1 1 1 9  13 3   o 69.300  0.9616 0.7155000      1.923000  
1 1 1 9  13 4   o 36.640  0.6753 5.355000       1.351000  
1 1 1 9  13 5   o 19.360  0.4430 -1.285000      0.8859000 
1 1 1 9  13 6   o 53.710  0.8109 -0.9198000     1.622000  
1 1 1 9  13 7   o 19.370  0.5044 0.4991000      1.009000  
1 1 1 9  13 8   o 39.830  0.6132 0.2012000      1.226000  
1 1 1 9  13 9   o 43.840  0.6199 1.136000       1.240000  
1 1 1 9  13 10  o 37.620  0.5397 0.1534000E-02  1.079000  
1 1 1 9  13 11  o 42.190  0.5996 -0.7002000     1.199000  
1 1 1 9  13 12  o 33.290  0.5669 -3.592000      1.134000  
1 1 1 9  13 13  o 31.490  0.4682 0.9124000      0.9364000 
1 1 1 9  13 14  o 52.670  0.7396 0.4176000E-01  1.479000  
1 1 1 9  13 15  o 38.760  0.6023 1.472000       1.205000  
1 1 1 9  13 16  o 23.800  0.4648 -1.085000      0.9296000 
1 1 1 9  13 17  o 49.020  0.7474 0.3809000      1.495000  
1 1 1 9  13 18  o 79.080  1.0990 -2.735000      2.197000  
1 1 1 9  13 19  o 66.440  1.0090 -3.085000      2.017000  
1 1 1 9  13 20  o 57.250  0.8699 -1.746000      1.740000  
1 1 1 9  13 21  o 74.020  1.1160 1.292000       2.231000  
1 1 1 9  13 22  o 42.400  0.8000 -4.068000      1.600000  
1 1 1 9  13 23  o 11.220  0.5937 0.4372000      1.187000  
1 1 1 9  13 24  o 17.970  0.4207 -1.135000      0.8413000 
1 1 1 9  13 25  f 24.730  0.4545 -0.7381000     0.9089000 
1 1 1 9  13 26  o 47.790  0.7899 -1.352000      1.580000  
1 1 1 9  13 27  o 50.750  0.8375 -1.559000      1.675000  
1 1 1 9  13 28  o 38.890  0.6651 -0.5049000     1.330000  
1 1 1 9  13 29  o 18.080  0.6305 0.3360000      1.261000  
1 1 1 9  13 30  o 25.560  0.5205 -0.3369000     1.041000  
1 1 1 9  13 31  o 12.060  0.5890 1.602000       1.178000  
1 1 1 9  13 32  o 46.150  0.7740 -2.071000      1.548000  
1 1 1 9  13 33  o 19.510  0.6585 -1.776000      1.317000  
1 1 1 9  13 34  o 14.530  0.5590 -1.585000      1.118000  
1 1 1 9  13 35  o 31.450  0.5891 0.9168000      1.178000  
1 1 1 9  13 36  o 15.890  0.6918 -3.056000      1.384000  
1 1 1 9  13 37  o 28.890  0.5689 -0.8008000E-01 1.138000  
1 1 1 9  13 38  o 11.770  0.6962 2.724000       1.392000  
1 1 1 9  13 39  o 11.000  0.8699 -0.1518000     1.740000  
1 1 1 9  13 40  o 28.750  0.6801 -2.390000      1.360000  
1 1 1 9  13 41  o 23.990  1.0960 ?              ?         
1 1 1 9  13 42  o 26.230  0.6989 1.057000       1.398000  
1 1 1 9  13 43  o 32.260  0.7921 1.390000       1.584000  
1 1 1 9  13 44  o 25.420  0.7002 2.546000       1.400000  
1 1 1 9  13 45  o 28.220  0.7190 0.4677000      1.438000  
1 1 1 9  13 46  o 9.0340  1.3100 -2.769000      2.620000  
1 1 1 9  13 47  o 30.440  0.7407 1.414000       1.481000  
1 1 1 9  13 48  o 8.4770  1.3940 1.109000       2.788000  
1 1 1 9  13 49  o 11.570  1.4810 0.4701000      2.962000  
1 1 1 9  13 50  o 31.760  0.8950 -0.3126000     1.790000  
1 1 1 9  13 51  o 9.8230  1.6850 4.553000       3.369000  
1 1 1 9  13 52  o 20.600  0.9739 1.005000       1.948000  
1 1 1 9  13 53  o 14.720  1.2880 0.3438000      2.577000  
1 1 1 9  13 54  o 13.420  1.4410 0.8129000      2.882000  
1 1 1 9  13 55  o 15.280  1.4370 3.727000       2.874000  
1 1 1 9  13 56  o 14.760  1.4970 1.339000       2.994000  
1 1 1 9  13 57  o 24.020  1.0480 0.5624000      2.096000  
1 1 1 9  13 58  o 7.7470  1.9990 0.5125000      3.997000  
1 1 1 9  13 59  o 6.9460  1.9610 -0.7539000     3.922000  
1 1 1 9  13 60  o 8.1600  1.9980 1.027000       3.997000  
1 1 1 9  13 61  o 5.0400  1.6500 0.7959000      3.300000  
1 1 1 9  13 62  o 13.070  1.7400 -1.287000      3.480000  
1 1 1 9  13 63  f 7.6420  2.1040 -0.4811000     4.209000  
1 1 1 9  13 64  o 8.9390  2.1970 0.6855000      4.395000  
1 1 1 9  13 65  o 14.680  1.8770 1.770000       3.754000  
1 1 1 9  13 66  o 6.0010  1.9000 -1.216000      3.800000  
1 1 1 9  13 67  o 7.9470  2.1180 2.397000       4.236000  
1 1 1 9  13 68  o 5.6870  1.8430 -0.8263000     3.686000  
1 1 1 9  13 69  o 6.0950  1.9050 1.388000       3.810000  
1 1 1 9  13 70  o 6.2360  1.9750 -0.1255000     3.950000  
1 1 1 9  13 71  o 5.4810  1.8270 -0.2454000     3.653000  
1 1 1 9  13 72  f 6.2140  1.9920 -0.1440000     3.984000  
1 1 1 9  13 73  o 6.5830  2.0690 -1.765000      4.137000  
1 1 1 9  13 74  o 7.5950  2.2330 -1.174000      4.465000  
1 1 1 9  13 75  o 5.1900  1.7580 0.3479000      3.516000  
1 1 1 9  13 76  o 7.1060  2.1290 -1.278000      4.258000  
1 1 1 9  13 77  o 5.2680  1.7910 1.725000       3.582000  
1 1 1 9  13 78  o 5.2060  1.7690 1.288000       3.537000  
1 1 1 9  13 79  o 6.3230  2.0030 2.916000       4.005000  
1 1 1 9  13 80  o 5.6790  1.8810 1.495000       3.762000  
1 1 1 9  13 81  o 5.3570  1.8120 1.261000       3.625000  
1 1 1 9  13 82  o 4.8060  1.6480 -0.1061000     3.295000  
1 1 1 9  13 83  o 4.9990  1.7170 1.966000       3.434000  
1 1 1 9  13 84  o 4.2390  1.4910 -0.8399000E-02 2.983000  
1 1 1 9  13 85  o 4.0530  1.4250 -0.2539000     2.849000  
1 1 1 9  13 86  o 4.2430  1.4530 -0.1847000     2.906000  
1 1 1 9  13 87  o 4.0190  1.4210 -0.3680000     2.843000  
1 1 1 9  14 0   o 2.9260  1.6560 -0.000000      0.000000  
1 1 1 9  14 1   o 25.600  0.4279 1.819000       0.8559000 
1 1 1 9  14 2   o 29.590  0.4776 0.6976000      0.9553000 
1 1 1 9  14 3   o 44.270  0.6748 -1.832000      1.350000  
1 1 1 9  14 4   o 55.570  0.7746 0.1726000      1.549000  
1 1 1 9  14 5   o 25.350  0.4622 -0.9457000     0.9244000 
1 1 1 9  14 6   o 13.790  0.5287 -4.504000      1.057000  
1 1 1 9  14 7   o 57.550  0.8674 -0.5300000     1.735000  
1 1 1 9  14 8   o 13.890  0.7246 ?              ?         
1 1 1 9  14 9   o 51.230  0.7215 0.5698000      1.443000  
1 1 1 9  14 10  o 14.490  0.5498 0.5848000      1.100000  
1 1 1 9  14 11  o 28.430  0.4336 -0.5941000     0.8673000 
1 1 1 9  14 12  o 37.440  0.5408 0.5190000E-01  1.082000  
1 1 1 9  14 13  o 30.960  0.5021 1.459000       1.004000  
1 1 1 9  14 14  o 41.970  0.5988 -0.7362000     1.198000  
1 1 1 9  14 15  o 43.830  0.6238 0.1597000      1.248000  
1 1 1 9  14 16  o 29.640  0.5945 4.237000       1.189000  
1 1 1 9  14 17  o 58.850  0.8267 0.4767000      1.653000  
1 1 1 9  14 18  o 55.590  0.7795 0.9046000      1.559000  
1 1 1 9  14 19  o 33.170  0.6405 1.145000       1.281000  
1 1 1 9  14 20  o 25.480  0.5517 -1.307000      1.103000  
1 1 1 9  14 21  o 37.870  0.6002 -1.562000      1.200000  
1 1 1 9  14 22  o 56.480  0.8608 -1.469000      1.722000  
1 1 1 9  14 23  o 41.000  0.6934 -4.152000      1.387000  
1 1 1 9  14 24  o 43.480  0.6778 -0.3132000     1.356000  
1 1 1 9  14 25  o 50.690  0.7775 -0.4335000     1.555000  
1 1 1 9  14 26  o 35.780  0.6279 -3.140000      1.256000  
1 1 1 9  14 27  o 5.9060  1.2420 -1.320000      2.484000  
1 1 1 9  14 28  o 19.650  0.4893 -0.5830000     0.9786000 
1 1 1 9  14 29  o 8.8920  0.7809 -0.9864000     1.562000  
1 1 1 9  14 30  o 43.720  0.8408 2.758000       1.682000  
1 1 1 9  14 31  o 39.290  0.6859 -0.9872000     1.372000  
1 1 1 9  14 32  o 15.760  0.6055 1.819000       1.211000  
1 1 1 9  14 33  o 45.490  0.7706 -3.334000      1.541000  
1 1 1 9  14 34  o 16.710  0.7189 -1.454000      1.438000  
1 1 1 9  14 35  o 15.280  0.5842 0.6291000      1.168000  
1 1 1 9  14 36  o 21.170  0.5352 -0.1853000     1.070000  
1 1 1 9  14 37  o 45.230  0.8866 2.498000       1.773000  
1 1 1 9  14 38  o 34.460  0.6544 0.5608000      1.309000  
1 1 1 9  14 39  o 22.230  0.5711 -0.8001000     1.142000  
1 1 1 9  14 40  o 6.5390  1.1850 -0.6749000     2.369000  
1 1 1 9  14 41  o 16.470  0.6014 -0.4428000     1.203000  
1 1 1 9  14 42  o 45.950  0.9043 1.148000       1.809000  
1 1 1 9  14 43  f 24.070  0.7208 0.7549000      1.442000  
1 1 1 9  14 44  o 15.960  0.8172 0.8300000      1.634000  
1 1 1 9  14 45  o 27.950  0.7949 -1.413000      1.590000  
1 1 1 9  14 46  o 16.160  0.8229 0.7444000      1.646000  
1 1 1 9  14 47  o 29.200  0.7943 -2.741000      1.589000  
1 1 1 9  14 48  o 28.520  0.7564 -0.4678000     1.513000  
1 1 1 9  14 49  o 5.5420  1.4990 1.905000       2.997000  
1 1 1 9  14 50  o 6.3580  1.5250 -0.4998000     3.049000  
1 1 1 9  14 51  o 15.180  0.9279 0.9348000      1.856000  
1 1 1 9  14 52  o 16.690  0.9330 0.8156000      1.866000  
1 1 1 9  14 53  o 7.6770  1.8940 1.118000       3.787000  
1 1 1 9  14 54  o 7.0280  1.7920 -3.846000      3.584000  
1 1 1 9  14 55  o 6.0720  1.7820 -1.240000      3.563000  
1 1 1 9  14 56  o 10.150  1.8200 -5.202000      3.640000  
1 1 1 9  14 57  o 18.090  1.2360 1.370000       2.472000  
1 1 1 9  14 58  o 5.0600  1.6500 0.1330000      3.300000  
1 1 1 9  14 59  o 6.5070  1.9020 -0.1038000E-01 3.804000  
1 1 1 9  14 60  o 8.9770  2.0340 -2.169000      4.069000  
1 1 1 9  14 61  o 9.3020  2.0490 0.6153000      4.097000  
1 1 1 9  14 62  o 7.6980  2.0360 0.2470000      4.071000  
1 1 1 9  14 63  f 8.9570  2.1090 -0.1939000     4.218000  
1 1 1 9  14 64  o 15.290  1.6760 0.8647000      3.352000  
1 1 1 9  14 65  o 8.2550  1.9990 3.340000       3.999000  
1 1 1 9  14 66  o 5.4880  1.7820 -0.6293000     3.563000  
1 1 1 9  14 67  o 13.000  1.8300 3.367000       3.661000  
1 1 1 9  14 68  f 8.1200  2.0990 2.222000       4.199000  
1 1 1 9  14 69  o 5.1520  1.7030 0.6513000      3.407000  
1 1 1 9  14 70  o 6.8190  2.0330 -2.192000      4.066000  
1 1 1 9  14 71  o 7.4710  2.1210 -2.961000      4.243000  
1 1 1 9  14 72  o 5.2400  1.7450 0.7492000      3.490000  
1 1 1 9  14 73  f 6.7030  2.0170 2.220000       4.034000  
1 1 1 9  14 74  o 5.5340  1.8120 0.5880000      3.624000  
1 1 1 9  14 75  o 7.2330  2.1100 0.3397000      4.219000  
1 1 1 9  14 76  o 5.4790  1.8110 -0.6034000     3.623000  
1 1 1 9  14 77  f 4.8350  1.6660 0.8979000      3.332000  
1 1 1 9  14 78  o 5.6770  1.8760 2.022000       3.753000  
1 1 1 9  14 79  o 5.7750  1.9060 0.8239000      3.811000  
1 1 1 9  14 80  o 5.8210  1.9080 2.266000       3.816000  
1 1 1 9  14 81  o 5.4190  1.8020 -0.5193000     3.603000  
1 1 1 9  14 82  o 4.5090  1.5810 0.8902000      3.163000  
1 1 1 9  14 83  o 4.3780  1.5300 -0.8488000     3.060000  
1 1 1 9  14 84  o 3.8850  1.3750 0.8645000      2.751000  
1 1 1 9  14 85  o 4.6220  1.5900 1.186000       3.181000  
1 1 1 9  14 86  o 4.4190  2.1750 ?              ?         
1 1 1 9  15 0   o 7.7310  1.2020 0.000000       0.000000  
1 1 1 9  15 1   o 37.950  0.5912 -1.884000      1.182000  
1 1 1 9  15 2   o 21.760  0.5295 -1.348000      1.059000  
1 1 1 9  15 3   o 49.780  0.7008 0.9001000      1.402000  
1 1 1 9  15 4   f 33.960  0.5761 -0.3143000     1.152000  
1 1 1 9  15 5   o 40.130  0.5725 -0.5725000     1.145000  
1 1 1 9  15 6   o 35.620  0.5181 0.2502000      1.036000  
1 1 1 9  15 7   o 29.180  0.4433 -0.4720000     0.8867000 
1 1 1 9  15 8   o 7.0070  0.8460 -5.924000      1.692000  
1 1 1 9  15 9   o 25.490  0.4387 -0.9644000     0.8775000 
1 1 1 9  15 10  o 24.130  0.5182 -0.9395000     1.036000  
1 1 1 9  15 11  o 59.720  0.8363 0.8479000      1.673000  
1 1 1 9  15 12  o 18.110  0.5513 8.099000       1.103000  
1 1 1 9  15 13  o 41.560  0.5962 -0.2188000     1.192000  
1 1 1 9  15 14  o 38.780  0.6092 2.525000       1.218000  
1 1 1 9  15 15  o 51.540  0.7259 1.083000       1.452000  
1 1 1 9  15 16  o 36.940  0.6297 -0.3196000     1.259000  
1 1 1 9  15 17  o 28.640  0.4497 -0.2325000     0.8994000 
1 1 1 9  15 18  f 21.720  0.5682 -6.338000      1.136000  
1 1 1 9  15 19  o 28.150  0.4515 -0.6741000     0.9029000 
1 1 1 9  15 20  o 37.220  0.5481 1.222000       1.096000  
1 1 1 9  15 21  f 30.250  0.5035 -0.2783000     1.007000  
1 1 1 9  15 22  o 39.710  0.6269 -0.9938000     1.254000  
1 1 1 9  15 23  o 33.920  0.5587 -0.3398000     1.117000  
1 1 1 9  15 24  o 27.800  0.4986 -1.115000      0.9973000 
1 1 1 9  15 25  o 25.360  0.4768 -1.729000      0.9536000 
1 1 1 9  15 26  o 39.870  0.6368 0.9038000      1.274000  
1 1 1 9  15 27  o 19.590  0.5389 -0.6757000     1.078000  
1 1 1 9  15 28  o 23.500  0.4907 -1.689000      0.9815000 
1 1 1 9  15 29  f 14.910  0.5522 -0.3371000     1.104000  
1 1 1 9  15 30  o 33.500  0.6124 -0.3590000     1.225000  
1 1 1 9  15 31  o 47.200  0.7966 -0.4307000     1.593000  
1 1 1 9  15 32  o 34.920  0.7847 4.054000       1.569000  
1 1 1 9  15 33  o 32.150  0.6121 -0.9861000     1.224000  
1 1 1 9  15 34  o 37.610  0.6747 -0.5205000     1.349000  
1 1 1 9  15 35  o 7.7760  1.1880 -3.349000      2.377000  
1 1 1 9  15 36  o 10.170  0.7837 -0.3326000     1.567000  
1 1 1 9  15 37  o 31.320  0.6157 -0.3718000     1.231000  
1 1 1 9  15 38  o 17.010  0.5921 1.186000       1.184000  
1 1 1 9  15 39  o 5.9740  1.1400 4.422000       2.280000  
1 1 1 9  15 40  o 25.670  0.5901 -1.589000      1.180000  
1 1 1 9  15 41  o 10.240  0.8799 1.938000       1.760000  
1 1 1 9  15 42  f 9.1780  0.9719 -0.6935000     1.944000  
1 1 1 9  15 43  o 23.740  0.5958 0.4579000      1.192000  
1 1 1 9  15 44  o 10.820  0.8484 0.4688000      1.697000  
1 1 1 9  15 45  o 7.2260  1.2170 3.578000       2.433000  
1 1 1 9  15 46  o 9.9580  1.1760 4.417000       2.352000  
1 1 1 9  15 47  o 26.280  0.7950 0.4915000      1.590000  
1 1 1 9  15 48  o 7.9190  1.6490 ?              ?         
1 1 1 9  15 49  o 11.400  1.1900 -2.073000      2.380000  
1 1 1 9  15 50  f 5.1500  1.3990 -1.884000      2.797000  
1 1 1 9  15 51  o 5.2070  1.4650 0.1507000      2.929000  
1 1 1 9  15 52  o 4.7490  1.4230 0.3536000      2.846000  
1 1 1 9  15 53  o 13.370  1.1420 -1.986000      2.283000  
1 1 1 9  15 54  o 18.160  0.9089 0.3487000      1.818000  
1 1 1 9  15 55  o 19.040  0.9287 1.041000       1.857000  
1 1 1 9  15 56  f 6.8690  1.6360 -1.478000      3.272000  
1 1 1 9  15 57  o 11.000  1.4390 -0.4328000     2.878000  
1 1 1 9  15 58  o 7.7960  1.9660 0.3696000      3.933000  
1 1 1 9  15 59  o 8.5260  1.9600 1.542000       3.921000  
1 1 1 9  15 60  o 7.1580  1.9430 0.7405000      3.886000  
1 1 1 9  15 61  o 7.0760  1.9660 -0.7254000     3.932000  
1 1 1 9  15 62  o 6.0940  1.8500 -0.6259000E-01 3.699000  
1 1 1 9  15 63  o 8.9320  1.9430 3.273000       3.887000  
1 1 1 9  15 64  o 5.8470  1.8150 -1.164000      3.630000  
1 1 1 9  15 65  o 7.9700  2.0290 0.5037000      4.058000  
1 1 1 9  15 66  o 5.7030  1.8010 -1.883000      3.601000  
1 1 1 9  15 67  o 6.2900  1.8980 0.4305000      3.795000  
1 1 1 9  15 68  o 6.0710  1.8980 -1.206000      3.796000  
1 1 1 9  15 69  o 8.2430  2.0590 1.277000       4.118000  
1 1 1 9  15 70  o 5.5810  1.8140 -1.210000      3.628000  
1 1 1 9  15 71  o 7.9970  2.0210 -5.455000      4.042000  
1 1 1 9  15 72  o 5.0290  1.6920 -1.041000      3.385000  
1 1 1 9  15 73  o 6.4970  1.9730 2.372000       3.946000  
1 1 1 9  15 74  o 5.6770  1.8510 0.7334000      3.703000  
1 1 1 9  15 75  o 5.8540  1.8970 -1.122000      3.794000  
1 1 1 9  15 76  o 6.4730  2.0350 0.8552000      4.071000  
1 1 1 9  15 77  o 5.8470  1.9110 -0.6000000     3.822000  
1 1 1 9  15 78  f 6.0260  1.9510 -0.8869000     3.902000  
1 1 1 9  15 79  o 5.2860  1.7810 1.250000       3.562000  
1 1 1 9  15 80  o 4.8070  1.6510 0.6986000      3.302000  
1 1 1 9  15 81  o 4.5610  1.5850 0.7313000      3.169000  
1 1 1 9  15 82  o 3.6060  1.2840 0.1212000      2.568000  
1 1 1 9  15 83  o 4.6050  1.5370 0.8041000      3.074000  
1 1 1 9  15 84  o 4.3590  2.1300 ?              ?         
1 1 1 9  16 0   o 53.350  1.0590 -0.000000      0.000000  
1 1 1 9  16 1   o 58.930  0.8226 -0.3845000     1.645000  
1 1 1 9  16 2   o 51.520  0.7246 -1.003000      1.449000  
1 1 1 9  16 3   o 44.450  0.6336 -1.446000      1.267000  
1 1 1 9  16 4   o 26.110  0.4811 5.033000       0.9623000 
1 1 1 9  16 5   o 23.180  0.5104 -0.2156000     1.021000  
1 1 1 9  16 6   o 47.020  0.6641 1.169000       1.328000  
1 1 1 9  16 7   o 30.950  0.5046 0.4652000      1.009000  
1 1 1 9  16 8   o 28.090  0.4737 0.8600000      0.9474000 
1 1 1 9  16 9   o 26.930  0.4607 -2.598000      0.9214000 
1 1 1 9  16 10  o 48.860  0.6918 0.2047000      1.384000  
1 1 1 9  16 11  o 21.210  0.5224 -0.9302000     1.045000  
1 1 1 9  16 12  o 35.810  0.5261 -0.5015000     1.052000  
1 1 1 9  16 13  o 24.660  0.4861 -1.563000      0.9722000 
1 1 1 9  16 14  f 60.460  0.8491 2.410000       1.698000  
1 1 1 9  16 15  o 58.990  0.8265 1.054000       1.653000  
1 1 1 9  16 16  o 41.000  0.6895 -0.8923000     1.379000  
1 1 1 9  16 17  o 21.060  0.4765 -0.7851000     0.9530000 
1 1 1 9  16 18  o 54.430  0.8367 3.528000       1.673000  
1 1 1 9  16 19  o 56.970  0.8017 0.6787000      1.603000  
1 1 1 9  16 20  o 18.910  0.5506 -5.144000      1.101000  
1 1 1 9  16 21  o 19.950  0.4105 0.2429000      0.8210000 
1 1 1 9  16 22  o 37.230  0.5549 -0.4313000E-01 1.110000  
1 1 1 9  16 23  o 20.520  0.5778 -1.051000      1.156000  
1 1 1 9  16 24  o 25.360  0.4792 -0.1209000     0.9584000 
1 1 1 9  16 25  o 20.460  0.4677 -0.4284000     0.9355000 
1 1 1 9  16 26  o 6.3190  0.9832 -1.951000      1.966000  
1 1 1 9  16 27  o 7.7920  0.8466 1.116000       1.693000  
1 1 1 9  16 28  o 25.670  0.4963 0.1603000      0.9926000 
1 1 1 9  16 29  o 28.670  0.5291 -1.191000      1.058000  
1 1 1 9  16 30  o 35.940  0.6504 -0.2743000     1.301000  
1 1 1 9  16 31  o 39.600  0.6951 -1.367000      1.390000  
1 1 1 9  16 32  o 11.230  0.9949 -0.9892000     1.990000  
1 1 1 9  16 33  o 26.000  0.5588 -0.4634000     1.118000  
1 1 1 9  16 34  o 17.190  0.5821 0.2226000      1.164000  
1 1 1 9  16 35  o 14.580  0.6223 1.261000       1.245000  
1 1 1 9  16 36  o 41.250  0.7261 -0.7156000     1.452000  
1 1 1 9  16 37  f 29.020  0.5986 -0.5260000E-01 1.197000  
1 1 1 9  16 38  o 5.4680  1.2770 -2.591000      2.555000  
1 1 1 9  16 39  o 9.1700  0.9683 0.3108000      1.937000  
1 1 1 9  16 40  o 10.570  0.8649 3.446000       1.730000  
1 1 1 9  16 41  o 15.800  0.6575 -0.3732000     1.315000  
1 1 1 9  16 42  o 10.960  0.8472 0.5261000      1.694000  
1 1 1 9  16 43  o 35.370  0.6734 0.8430000      1.347000  
1 1 1 9  16 44  f 9.3500  1.0870 3.627000       2.174000  
1 1 1 9  16 45  o 17.450  0.6406 -0.1377000     1.281000  
1 1 1 9  16 46  o 18.240  0.6561 -0.3147000     1.312000  
1 1 1 9  16 47  o 8.9940  1.0750 0.8703000      2.151000  
1 1 1 9  16 48  o 5.2790  1.3800 -0.1943000     2.759000  
1 1 1 9  16 49  o 6.8350  1.3010 -3.461000      2.602000  
1 1 1 9  16 50  f 7.9230  1.2740 1.953000       2.549000  
1 1 1 9  16 51  o 11.840  1.1890 -0.2768000     2.379000  
1 1 1 9  16 52  o 20.530  0.8606 -3.320000      1.721000  
1 1 1 9  16 53  o 11.670  1.2480 3.051000       2.495000  
1 1 1 9  16 54  f 5.8870  1.5430 -1.633000      3.086000  
1 1 1 9  16 55  o 15.520  1.0900 -2.997000      2.180000  
1 1 1 9  16 56  o 8.8010  1.5700 -2.119000      3.140000  
1 1 1 9  16 57  o 4.5540  1.4550 1.169000       2.910000  
1 1 1 9  16 58  o 9.1330  1.5970 -0.7339000     3.194000  
1 1 1 9  16 59  o 4.7820  1.4890 -0.7998000     2.977000  
1 1 1 9  16 60  o 10.600  1.5500 -2.060000      3.100000  
1 1 1 9  16 61  o 6.1250  1.6710 0.8438000      3.343000  
1 1 1 9  16 62  o 5.9100  1.8100 -0.8614000     3.621000  
1 1 1 9  16 63  o 10.550  1.8810 2.714000       3.763000  
1 1 1 9  16 64  o 8.6940  2.0330 -0.2199000     4.067000  
1 1 1 9  16 65  o 8.7380  2.0540 -2.146000      4.108000  
1 1 1 9  16 66  o 6.6120  1.9260 0.4696000      3.852000  
1 1 1 9  16 67  o 6.7210  1.9460 0.2942000      3.893000  
1 1 1 9  16 68  o 6.2300  1.8730 1.055000       3.746000  
1 1 1 9  16 69  o 5.5380  1.7800 -1.002000      3.559000  
1 1 1 9  16 70  o 5.7880  1.8200 -1.751000      3.639000  
1 1 1 9  16 71  o 6.2850  1.8840 -2.301000      3.767000  
1 1 1 9  16 72  o 5.0710  1.6910 -1.737000      3.382000  
1 1 1 9  16 73  o 7.2550  2.0480 -4.250000      4.096000  
1 1 1 9  16 74  o 5.3780  1.8000 -1.869000      3.600000  
1 1 1 9  16 75  o 5.3250  1.7930 -1.399000      3.586000  
1 1 1 9  16 76  o 5.6700  1.8780 0.1825000      3.756000  
1 1 1 9  16 77  o 4.0950  1.4540 -0.6603000     2.907000  
1 1 1 9  16 78  o 4.6820  1.6190 -0.9198000     3.237000  
1 1 1 9  16 79  o 4.8480  1.6500 0.4718000      3.301000  
1 1 1 9  16 80  o 3.9440  1.3860 0.6673000      2.772000  
1 1 1 9  16 81  o 4.4080  1.4880 0.9324000      2.975000  
1 1 1 9  16 82  o 4.0450  1.4260 -0.2262000     2.853000  
1 1 1 9  16 83  o 3.2360  1.6540 ?              ?         
1 1 1 9  17 0   o 37.680  0.7746 0.000000       0.000000  
1 1 1 9  17 1   o 26.540  0.6327 12.51000       1.265000  
1 1 1 9  17 2   o 47.500  0.6755 0.6706000E-01  1.351000  
1 1 1 9  17 3   o 46.410  0.6616 -0.5533000E-01 1.323000  
1 1 1 9  17 4   o 13.310  0.6866 -6.047000      1.373000  
1 1 1 9  17 5   o 22.900  0.5680 0.5587000      1.136000  
1 1 1 9  17 6   o 51.150  0.7249 0.9489000      1.450000  
1 1 1 9  17 7   o 24.190  0.5456 -6.171000      1.091000  
1 1 1 9  17 8   o 20.020  0.4615 0.9273000      0.9231000 
1 1 1 9  17 9   o 21.780  0.3935 0.4592000      0.7870000 
1 1 1 9  17 10  o 18.670  0.3874 0.8087000E-01  0.7749000 
1 1 1 9  17 11  o 13.570  0.4157 -0.2373000     0.8314000 
1 1 1 9  17 12  o 20.750  0.3980 0.3715000      0.7961000 
1 1 1 9  17 13  o 33.320  0.5461 -1.613000      1.092000  
1 1 1 9  17 14  o 57.900  0.8146 0.6665000      1.629000  
1 1 1 9  17 15  o 27.360  0.6067 0.9199000      1.213000  
1 1 1 9  17 16  o 76.730  1.0800 0.4260000      2.161000  
1 1 1 9  17 17  o 21.350  0.9235 ?              ?         
1 1 1 9  17 18  o 11.330  0.7915 -4.714000      1.583000  
1 1 1 9  17 19  o 36.270  0.5865 -1.061000      1.173000  
1 1 1 9  17 20  o 26.820  0.5276 -0.1377000     1.055000  
1 1 1 9  17 21  o 30.840  0.4904 -0.7889000     0.9808000 
1 1 1 9  17 22  o 23.490  0.4773 -3.064000      0.9547000 
1 1 1 9  17 23  o 17.440  0.4408 -0.3750000     0.8817000 
1 1 1 9  17 24  o 33.680  0.6090 0.9032000      1.218000  
1 1 1 9  17 25  o 29.210  0.5515 1.125000       1.103000  
1 1 1 9  17 26  o 29.630  0.5747 -3.203000      1.149000  
1 1 1 9  17 27  o 26.300  0.5021 0.4168000      1.004000  
1 1 1 9  17 28  o 9.9540  0.8869 -2.331000      1.774000  
1 1 1 9  17 29  o 11.490  0.6270 -1.354000      1.254000  
1 1 1 9  17 30  o 23.450  0.4930 -0.3481000     0.9859000 
1 1 1 9  17 31  o 18.020  0.5177 1.535000       1.035000  
1 1 1 9  17 32  o 14.780  0.6217 1.906000       1.243000  
1 1 1 9  17 33  o 33.460  0.6282 -0.4907000     1.256000  
1 1 1 9  17 34  o 24.020  0.5688 0.8647000      1.138000  
1 1 1 9  17 35  o 16.260  0.6292 -2.317000      1.258000  
1 1 1 9  17 36  f 21.120  0.5777 -1.541000      1.155000  
1 1 1 9  17 37  f 21.760  0.5790 1.370000       1.158000  
1 1 1 9  17 38  o 25.280  0.5847 -1.131000      1.169000  
1 1 1 9  17 39  o 16.940  0.6204 0.9634000      1.241000  
1 1 1 9  17 40  o 14.790  0.6894 -0.4356000     1.379000  
1 1 1 9  17 41  o 37.010  0.6970 -0.9947000     1.394000  
1 1 1 9  17 42  o 29.330  0.6495 -0.2040000     1.299000  
1 1 1 9  17 43  o 19.190  0.9182 -5.829000      1.836000  
1 1 1 9  17 44  o 17.760  0.6671 0.8717000      1.334000  
1 1 1 9  17 45  f 13.530  0.7874 0.7012000      1.575000  
1 1 1 9  17 46  f 5.5690  1.2390 3.767000       2.479000  
1 1 1 9  17 47  o 6.6640  1.4030 0.4606000E-01  2.807000  
1 1 1 9  17 48  o 4.9420  1.3560 -0.9045000     2.712000  
1 1 1 9  17 49  o 11.800  0.8937 0.2280000      1.787000  
1 1 1 9  17 50  o 8.9790  1.2240 1.830000       2.448000  
1 1 1 9  17 51  o 6.5410  1.4340 -1.101000      2.868000  
1 1 1 9  17 52  o 25.130  0.6789 1.051000       1.358000  
1 1 1 9  17 53  o 7.2920  1.3310 4.476000       2.662000  
1 1 1 9  17 54  o 13.550  0.8782 1.596000       1.756000  
1 1 1 9  17 55  o 5.2520  1.5480 0.7702000      3.096000  
1 1 1 9  17 56  o 5.5290  1.5740 0.9241000E-01  3.147000  
1 1 1 9  17 57  o 4.5440  1.3890 -1.270000      2.777000  
1 1 1 9  17 58  o 4.6110  1.4560 1.449000       2.911000  
1 1 1 9  17 59  o 4.9580  1.5010 -0.4446000     3.001000  
1 1 1 9  17 60  o 9.1120  1.5870 1.753000       3.174000  
1 1 1 9  17 61  o 7.6830  1.6370 -1.174000      3.275000  
1 1 1 9  17 62  o 4.8960  1.5360 2.455000       3.072000  
1 1 1 9  17 63  o 5.9340  1.6630 0.5353000      3.326000  
1 1 1 9  17 64  o 4.5040  1.4560 0.8375000      2.912000  
1 1 1 9  17 65  o 5.4890  1.5850 3.767000       3.170000  
1 1 1 9  17 66  o 12.790  1.4250 -4.156000      2.850000  
1 1 1 9  17 67  o 6.0420  1.8420 0.3340000      3.683000  
1 1 1 9  17 68  o 5.5030  1.7400 -1.110000      3.481000  
1 1 1 9  17 69  o 6.3730  1.9190 0.1970000      3.837000  
1 1 1 9  17 70  o 5.0040  1.6600 0.1284000      3.320000  
1 1 1 9  17 71  o 5.5040  1.7890 -1.314000      3.578000  
1 1 1 9  17 72  o 5.0880  1.7120 -1.711000      3.424000  
1 1 1 9  17 73  o 4.5290  1.5650 -0.5948000     3.130000  
1 1 1 9  17 74  o 4.8540  1.6410 -0.3341000     3.282000  
1 1 1 9  17 75  o 4.5800  1.5540 0.6400000      3.108000  
1 1 1 9  17 76  o 4.2960  1.4790 0.6723000      2.957000  
1 1 1 9  17 77  o 4.3110  1.4840 -0.3292000     2.968000  
1 1 1 9  17 78  o 3.8980  1.3450 0.4818000      2.690000  
1 1 1 9  17 79  o 3.7910  1.3000 -0.7691000E-01 2.600000  
1 1 1 9  17 80  o 3.8920  1.3830 -0.4000000     2.766000  
1 1 1 9  17 81  o 3.7520  1.8850 ?              ?         
1 1 1 9  18 0   o 10.710  0.8482 0.000000       0.000000  
1 1 1 9  18 1   o 20.760  0.4318 -0.1212000     0.8637000 
1 1 1 9  18 2   o 29.960  0.6140 -2.638000      1.228000  
1 1 1 9  18 3   o 54.460  0.7688 1.075000       1.538000  
1 1 1 9  18 4   o 24.320  0.5997 -2.064000      1.199000  
1 1 1 9  18 5   o 27.510  0.5100 -1.970000      1.020000  
1 1 1 9  18 6   o 37.770  0.5539 0.9024000      1.108000  
1 1 1 9  18 7   o 30.350  0.5091 -1.888000      1.018000  
1 1 1 9  18 8   o 18.320  0.4733 -1.112000      0.9466000 
1 1 1 9  18 9   o 12.680  0.5047 -1.516000      1.009000  
1 1 1 9  18 10  o 22.480  0.4061 0.9463000      0.8123000 
1 1 1 9  18 11  o 27.080  0.4433 -0.2972000     0.8866000 
1 1 1 9  18 12  o 12.270  0.5327 2.848000       1.065000  
1 1 1 9  18 13  o 5.5220  0.9288 -0.6793000     1.858000  
1 1 1 9  18 14  o 6.8500  0.9411 0.9498000      1.882000  
1 1 1 9  18 15  o 32.760  0.5038 1.115000       1.008000  
1 1 1 9  18 16  o 15.790  0.5210 4.086000       1.042000  
1 1 1 9  18 17  f 34.140  0.5227 1.118000       1.045000  
1 1 1 9  18 18  o 19.910  0.5104 -0.9608000     1.021000  
1 1 1 9  18 19  o 43.050  0.6287 -0.4010000     1.257000  
1 1 1 9  18 20  o 8.6110  0.8516 -3.398000      1.703000  
1 1 1 9  18 21  o 13.130  0.5076 0.8921000      1.015000  
1 1 1 9  18 22  o 18.940  0.4328 0.3481000      0.8655000 
1 1 1 9  18 23  o 17.050  0.4595 -1.490000      0.9190000 
1 1 1 9  18 24  o 13.460  0.5104 -1.410000      1.021000  
1 1 1 9  18 25  o 16.750  0.4687 -0.3212000     0.9374000 
1 1 1 9  18 26  o 16.000  0.5217 1.475000       1.043000  
1 1 1 9  18 27  o 21.650  0.5020 -0.5848000     1.004000  
1 1 1 9  18 28  o 12.760  0.5992 -1.262000      1.198000  
1 1 1 9  18 29  o 25.220  0.5138 1.161000       1.028000  
1 1 1 9  18 30  o 23.240  0.5073 0.8308000      1.015000  
1 1 1 9  18 31  o 21.230  0.5121 -2.240000      1.024000  
1 1 1 9  18 32  o 12.200  0.6637 0.2666000      1.327000  
1 1 1 9  18 33  o 7.8900  1.1100 -2.581000      2.220000  
1 1 1 9  18 34  o 14.140  0.6867 -0.2254000     1.373000  
1 1 1 9  18 35  o 37.000  0.6783 -0.2360000     1.357000  
1 1 1 9  18 36  o 18.830  0.7676 -2.265000      1.535000  
1 1 1 9  18 37  o 18.680  0.6165 -0.7095000     1.233000  
1 1 1 9  18 38  o 21.810  0.5970 -1.699000      1.194000  
1 1 1 9  18 39  o 11.890  0.8329 1.306000       1.666000  
1 1 1 9  18 40  o 20.990  0.6067 -1.468000      1.213000  
1 1 1 9  18 41  o 9.4520  1.0370 3.189000       2.074000  
1 1 1 9  18 42  o 7.2670  1.2560 0.5751000      2.512000  
1 1 1 9  18 43  o 8.4880  1.1590 -0.7407000     2.318000  
1 1 1 9  18 44  o 6.3290  1.3620 -1.486000      2.724000  
1 1 1 9  18 45  o 12.770  0.8823 2.278000       1.765000  
1 1 1 9  18 46  o 4.5970  1.3440 0.7624000E-01  2.688000  
1 1 1 9  18 47  o 17.770  0.7075 0.5344000      1.415000  
1 1 1 9  18 48  o 8.3580  1.2520 2.223000       2.505000  
1 1 1 9  18 49  o 8.4520  1.2520 2.288000       2.503000  
1 1 1 9  18 50  o 12.990  0.8986 -0.5150000     1.797000  
1 1 1 9  18 51  o 4.2050  1.2940 0.1417000      2.589000  
1 1 1 9  18 52  o 6.1650  1.4740 -1.073000      2.947000  
1 1 1 9  18 53  o 11.950  0.9413 0.1164000      1.883000  
1 1 1 9  18 54  o 4.4550  1.3230 1.093000       2.646000  
1 1 1 9  18 55  o 8.5240  1.3360 1.370000       2.672000  
1 1 1 9  18 56  o 5.2320  1.4280 0.9344000      2.856000  
1 1 1 9  18 57  f 5.5540  1.4200 1.233000       2.840000  
1 1 1 9  18 58  o 4.7040  1.3230 1.541000       2.647000  
1 1 1 9  18 59  o 4.2710  1.2940 1.182000       2.588000  
1 1 1 9  18 60  o 6.2850  1.6430 -0.2023000     3.286000  
1 1 1 9  18 61  o 3.8370  1.3040 1.055000       2.608000  
1 1 1 9  18 62  o 4.9260  1.5270 1.329000       3.055000  
1 1 1 9  18 63  o 6.2860  1.6880 3.442000       3.376000  
1 1 1 9  18 64  o 9.3170  1.6300 0.2690000      3.261000  
1 1 1 9  18 65  o 5.2220  1.5790 0.4858000      3.157000  
1 1 1 9  18 66  o 6.8760  1.7270 0.5685000      3.453000  
1 1 1 9  18 67  o 8.8900  1.7020 0.5231000      3.404000  
1 1 1 9  18 68  o 7.0990  1.7300 0.9153000      3.460000  
1 1 1 9  18 69  o 4.1890  1.3970 1.250000       2.794000  
1 1 1 9  18 70  o 4.6050  1.4460 -0.1953000     2.892000  
1 1 1 9  18 71  o 4.1970  1.3810 0.9885000      2.762000  
1 1 1 9  18 72  f 8.1130  1.9640 -2.884000      3.927000  
1 1 1 9  18 73  o 5.1930  1.6780 -0.4102000     3.355000  
1 1 1 9  18 74  o 4.9500  1.6860 -1.291000      3.372000  
1 1 1 9  18 75  o 3.8870  1.3530 -0.1782000     2.706000  
1 1 1 9  18 76  o 3.8570  1.3180 0.4881000      2.635000  
1 1 1 9  18 77  o 4.4220  1.4270 1.370000       2.855000  
1 1 1 9  18 78  o 3.8120  1.9050 ?              ?         
1 1 1 9  19 0   o 22.800  0.8605 0.000000       0.000000  
1 1 1 9  19 1   o 43.560  0.6286 -1.204000      1.257000  
1 1 1 9  19 2   o 32.800  0.5437 0.7012000      1.087000  
1 1 1 9  19 3   o 18.030  0.6172 0.3725000      1.234000  
1 1 1 9  19 4   o 26.070  0.4361 -0.1302000     0.8722000 
1 1 1 9  19 5   f 15.880  0.6188 2.326000       1.238000  
1 1 1 9  19 6   o 28.630  0.4601 0.2474000      0.9202000 
1 1 1 9  19 7   o 11.170  0.6282 2.026000       1.256000  
1 1 1 9  19 8   o 22.810  0.5439 -1.414000      1.088000  
1 1 1 9  19 9   o 51.020  0.7285 1.710000       1.457000  
1 1 1 9  19 10  o 39.950  0.6807 -2.090000      1.361000  
1 1 1 9  19 11  o 34.990  0.5319 -0.7568000     1.064000  
1 1 1 9  19 12  o 25.960  0.5142 3.280000       1.028000  
1 1 1 9  19 13  o 32.590  0.5042 -0.3235000     1.008000  
1 1 1 9  19 14  o 22.170  0.5056 -1.867000      1.011000  
1 1 1 9  19 15  o 11.630  0.8023 -3.551000      1.605000  
1 1 1 9  19 16  o 26.450  0.5351 -3.158000      1.070000  
1 1 1 9  19 17  o 45.620  0.6608 0.5561000      1.322000  
1 1 1 9  19 18  o 40.160  0.5951 -1.089000      1.190000  
1 1 1 9  19 19  o 12.660  0.6529 -3.403000      1.306000  
1 1 1 9  19 20  o 32.710  0.5193 0.1920000      1.039000  
1 1 1 9  19 21  o 35.060  0.5426 -0.7480000     1.085000  
1 1 1 9  19 22  f 16.810  0.6393 -3.613000      1.279000  
1 1 1 9  19 23  o 23.570  0.4582 0.1627000      0.9164000 
1 1 1 9  19 24  o 15.120  0.5301 1.343000       1.060000  
1 1 1 9  19 25  o 35.240  0.5485 -0.5508000E-01 1.097000  
1 1 1 9  19 26  o 5.6690  1.1810 -1.184000      2.361000  
1 1 1 9  19 27  o 11.610  0.6548 -0.6342000     1.310000  
1 1 1 9  19 28  o 10.720  0.7224 -2.145000      1.445000  
1 1 1 9  19 29  o 30.810  0.5863 0.6707000      1.173000  
1 1 1 9  19 30  f 17.710  0.6141 1.036000       1.228000  
1 1 1 9  19 31  o 17.440  0.5383 -1.270000      1.077000  
1 1 1 9  19 32  o 38.120  0.6398 -0.1193000     1.280000  
1 1 1 9  19 33  o 13.280  0.7931 -2.577000      1.586000  
1 1 1 9  19 34  o 3.5870  1.1270 -0.7464000     2.254000  
1 1 1 9  19 35  f 7.4020  1.2010 0.9274000      2.402000  
1 1 1 9  19 36  o 11.020  0.8271 0.5488000      1.654000  
1 1 1 9  19 37  o 16.000  0.6617 -0.7159000     1.323000  
1 1 1 9  19 38  o 8.9810  1.0880 -1.073000      2.176000  
1 1 1 9  19 39  f 24.930  0.6177 -0.7285000     1.235000  
1 1 1 9  19 40  f 9.6730  1.0670 0.6218000      2.134000  
1 1 1 9  19 41  o 7.7290  1.2720 -0.5005000     2.544000  
1 1 1 9  19 42  o 7.5770  1.3110 -2.196000      2.623000  
1 1 1 9  19 43  o 22.840  0.6294 -0.8993000     1.259000  
1 1 1 9  19 44  o 16.560  0.7105 -0.4589000E-01 1.421000  
1 1 1 9  19 45  f 11.650  0.9167 0.4221000      1.833000  
1 1 1 9  19 46  o 14.430  0.7894 0.6403000      1.579000  
1 1 1 9  19 47  o 10.230  1.0790 1.420000       2.158000  
1 1 1 9  19 48  o 11.940  0.9371 1.269000       1.874000  
1 1 1 9  19 49  o 8.5300  1.3020 1.555000       2.603000  
1 1 1 9  19 50  o 24.590  0.6588 -2.026000      1.318000  
1 1 1 9  19 51  o 10.370  1.0540 -1.369000      2.108000  
1 1 1 9  19 52  o 10.290  1.0880 -1.159000      2.177000  
1 1 1 9  19 53  o 5.1130  1.4350 -1.223000      2.871000  
1 1 1 9  19 54  o 4.8970  1.3760 1.170000       2.752000  
1 1 1 9  19 55  o 4.9730  1.3960 -0.9540000     2.792000  
1 1 1 9  19 56  o 7.3030  1.3760 0.7509000      2.752000  
1 1 1 9  19 57  o 8.7300  1.2760 -1.455000      2.552000  
1 1 1 9  19 58  o 4.6000  1.3630 -0.3102000     2.727000  
1 1 1 9  19 59  o 4.8330  1.3630 2.117000       2.726000  
1 1 1 9  19 60  o 5.0480  1.4030 0.3476000      2.806000  
1 1 1 9  19 61  o 4.4290  1.3370 1.279000       2.674000  
1 1 1 9  19 62  o 7.3450  1.4270 -2.943000      2.854000  
1 1 1 9  19 63  o 6.8140  1.4790 -0.9848000     2.958000  
1 1 1 9  19 64  o 5.9080  1.4930 1.169000       2.985000  
1 1 1 9  19 65  o 5.1490  1.5140 -0.1099000     3.027000  
1 1 1 9  19 66  o 6.1480  1.6390 0.5689000E-01  3.278000  
1 1 1 9  19 67  o 6.0580  1.5860 -1.461000      3.172000  
1 1 1 9  19 68  o 3.8890  1.3240 0.9877000      2.647000  
1 1 1 9  19 69  o 5.7770  1.6270 0.2458000      3.254000  
1 1 1 9  19 70  o 4.7260  1.4230 -1.362000      2.845000  
1 1 1 9  19 71  o 4.8260  1.5190 1.296000       3.038000  
1 1 1 9  19 72  o 4.7610  1.5130 1.802000       3.027000  
1 1 1 9  19 73  o 3.4020  1.1780 0.4276000      2.355000  
1 1 1 9  19 74  o 3.9850  1.2950 -0.6055000     2.589000  
1 1 1 9  19 75  o 3.6240  1.2680 1.105000       2.535000  
1 1 1 9  19 76  o 4.8560  1.6450 -0.6516000     3.289000  
1 1 1 9  20 0   o 22.440  0.9044 0.000000       0.000000  
1 1 1 9  20 1   o 36.730  0.5538 -0.5474000E-01 1.108000  
1 1 1 9  20 2   o 46.260  0.6670 -1.581000      1.334000  
1 1 1 9  20 3   o 39.630  0.5864 -2.444000      1.173000  
1 1 1 9  20 4   o 28.470  0.5965 1.675000       1.193000  
1 1 1 9  20 5   f 9.6080  0.8732 1.186000       1.746000  
1 1 1 9  20 6   o 10.810  0.5601 -0.5427000     1.120000  
1 1 1 9  20 7   o 16.510  0.5236 -3.978000      1.047000  
1 1 1 9  20 8   o 32.130  0.5002 0.4853000      1.000000  
1 1 1 9  20 9   o 34.520  0.5315 -0.2322000     1.063000  
1 1 1 9  20 10  o 39.030  0.5809 0.6118000      1.162000  
1 1 1 9  20 11  o 34.970  0.5842 -1.176000      1.168000  
1 1 1 9  20 12  f 40.500  0.6001 0.4329000      1.200000  
1 1 1 9  20 13  f 38.080  0.6193 -1.438000      1.239000  
1 1 1 9  20 14  o 20.230  0.4761 -4.633000      0.9523000 
1 1 1 9  20 15  o 12.270  0.5323 1.287000       1.065000  
1 1 1 9  20 16  o 16.390  0.4521 -0.4118000     0.9042000 
1 1 1 9  20 17  o 21.730  0.4404 0.4060000      0.8808000 
1 1 1 9  20 18  o 12.090  0.5442 -0.5043000     1.088000  
1 1 1 9  20 19  o 18.750  0.4484 -0.7361000     0.8967000 
1 1 1 9  20 20  f 11.990  0.6110 -1.174000      1.222000  
1 1 1 9  20 21  o 29.320  0.4934 -0.4637000     0.9868000 
1 1 1 9  20 22  o 34.610  0.5433 0.6380000      1.087000  
1 1 1 9  20 23  o 21.170  0.6115 -3.602000      1.223000  
1 1 1 9  20 24  o 37.530  0.5783 0.1873000      1.157000  
1 1 1 9  20 25  o 19.290  0.5704 -2.205000      1.141000  
1 1 1 9  20 26  o 12.290  0.5996 1.011000       1.199000  
1 1 1 9  20 27  o 10.170  0.7011 -0.6981000     1.402000  
1 1 1 9  20 28  o 8.1030  0.9683 -0.2943000     1.937000  
1 1 1 9  20 29  o 4.4300  1.1960 -1.236000      2.391000  
1 1 1 9  20 30  o 18.070  0.5402 -1.212000      1.080000  
1 1 1 9  20 31  o 18.650  0.5527 -0.2788000     1.105000  
1 1 1 9  20 32  o 18.140  0.5790 -1.052000      1.158000  
1 1 1 9  20 33  o 25.030  0.5443 -0.6188000     1.089000  
1 1 1 9  20 34  o 18.860  0.5615 -0.6822000     1.123000  
1 1 1 9  20 35  o 17.520  0.6464 0.1273000      1.293000  
1 1 1 9  20 36  o 19.300  0.6204 0.7734000      1.241000  
1 1 1 9  20 37  o 6.8110  1.2890 -2.066000      2.577000  
1 1 1 9  20 38  o 17.330  0.6569 -2.146000      1.314000  
1 1 1 9  20 39  o 15.060  0.7326 -0.6803000E-01 1.465000  
1 1 1 9  20 40  o 18.710  0.6571 -0.2579000     1.314000  
1 1 1 9  20 41  o 4.8380  1.3280 -1.162000      2.656000  
1 1 1 9  20 42  o 16.390  0.6991 0.8208000      1.398000  
1 1 1 9  20 43  o 19.170  0.6692 0.3422000E-01  1.338000  
1 1 1 9  20 44  o 18.410  0.6776 1.067000       1.355000  
1 1 1 9  20 45  o 6.1380  1.3800 1.984000       2.761000  
1 1 1 9  20 46  o 5.7720  1.4130 0.4850000      2.826000  
1 1 1 9  20 47  o 9.7860  1.0840 -0.4231000     2.169000  
1 1 1 9  20 48  o 12.050  0.8990 0.4202000      1.798000  
1 1 1 9  20 49  o 5.6110  1.3970 -0.3880000     2.795000  
1 1 1 9  20 50  o 9.9090  1.1070 -1.893000      2.214000  
1 1 1 9  20 51  o 6.1020  1.4220 -1.472000      2.844000  
1 1 1 9  20 52  o 14.790  0.8221 1.796000       1.644000  
1 1 1 9  20 53  o 11.790  0.9841 0.1738000      1.968000  
1 1 1 9  20 54  o 9.8190  1.1590 2.280000       2.317000  
1 1 1 9  20 55  o 4.2300  1.2810 0.4637000      2.561000  
1 1 1 9  20 56  f 5.3010  1.4070 -1.127000      2.814000  
1 1 1 9  20 57  f 10.980  1.1020 3.195000       2.204000  
1 1 1 9  20 58  o 6.5730  1.4570 1.729000       2.913000  
1 1 1 9  20 59  o 5.1110  1.4110 0.1970000E-01  2.822000  
1 1 1 9  20 60  o 7.8830  1.3740 2.569000       2.749000  
1 1 1 9  20 61  o 7.3830  1.4260 2.448000       2.852000  
1 1 1 9  20 62  o 5.5230  1.4590 0.1813000      2.919000  
1 1 1 9  20 63  o 4.5090  1.3360 -1.105000      2.672000  
1 1 1 9  20 64  o 3.6940  1.2130 -0.6141000E-01 2.427000  
1 1 1 9  20 65  o 4.4550  1.3360 -0.7873000     2.673000  
1 1 1 9  20 66  o 4.9750  1.4090 -0.1498000     2.817000  
1 1 1 9  20 67  o 3.9200  1.2440 -0.9079000     2.488000  
1 1 1 9  20 68  o 4.1560  1.2890 -0.7629000     2.578000  
1 1 1 9  20 69  o 4.0590  1.2750 -0.7874000     2.550000  
1 1 1 9  20 70  o 4.2810  1.3600 -0.7868000     2.721000  
1 1 1 9  20 71  o 4.4530  1.3790 -0.8429000     2.759000  
1 1 1 9  20 72  o 4.2800  1.3580 1.544000       2.716000  
1 1 1 9  20 73  o 4.0850  1.4070 -0.2150000     2.813000  
1 1 1 9  21 0   o 13.610  0.6969 0.000000       0.000000  
1 1 1 9  21 1   o 26.990  0.5957 -3.391000      1.191000  
1 1 1 9  21 2   o 49.230  0.7667 -1.825000      1.533000  
1 1 1 9  21 3   o 26.130  0.6049 -2.247000      1.210000  
1 1 1 9  21 4   o 23.260  0.4452 -3.349000      0.8904000 
1 1 1 9  21 5   o 26.230  0.5453 5.578000       1.091000  
1 1 1 9  21 6   o 47.670  0.6902 0.2339000      1.380000  
1 1 1 9  21 7   o 22.910  0.6259 -3.199000      1.252000  
1 1 1 9  21 8   o 40.390  0.6016 -1.083000      1.203000  
1 1 1 9  21 9   o 35.460  0.6359 -3.910000      1.272000  
1 1 1 9  21 10  o 25.710  0.4968 0.6558000      0.9935000 
1 1 1 9  21 11  o 16.380  0.5592 -0.7625000     1.118000  
1 1 1 9  21 12  o 21.050  0.4830 0.7832000      0.9659000 
1 1 1 9  21 13  o 22.290  0.4722 1.859000       0.9445000 
1 1 1 9  21 14  o 26.120  0.4665 -0.7152000     0.9329000 
1 1 1 9  21 15  o 15.240  0.7945 -5.791000      1.589000  
1 1 1 9  21 16  o 40.070  0.6528 -2.474000      1.306000  
1 1 1 9  21 17  o 41.690  0.6211 1.559000       1.242000  
1 1 1 9  21 18  o 17.130  0.7043 7.939000       1.409000  
1 1 1 9  21 19  o 17.870  0.4685 -0.4399000     0.9371000 
1 1 1 9  21 20  o 21.610  0.4684 0.4379000      0.9367000 
1 1 1 9  21 21  o 13.350  0.5553 -1.317000      1.111000  
1 1 1 9  21 22  o 14.790  0.5250 -0.1553000     1.050000  
1 1 1 9  21 23  o 19.360  0.4754 0.6281000      0.9508000 
1 1 1 9  21 24  o 17.250  0.4980 0.9146000      0.9960000 
1 1 1 9  21 25  o 7.7250  0.9548 -2.603000      1.910000  
1 1 1 9  21 26  o 23.360  0.4781 -0.4919000     0.9562000 
1 1 1 9  21 27  f 20.100  0.4946 -0.8425000     0.9893000 
1 1 1 9  21 28  o 25.530  0.4866 -0.9820000     0.9731000 
1 1 1 9  21 29  o 10.780  0.9338 -0.6181000     1.868000  
1 1 1 9  21 30  o 13.810  0.6359 0.4317000      1.272000  
1 1 1 9  21 31  o 12.740  0.6894 -0.7183000     1.379000  
1 1 1 9  21 32  o 15.790  0.6117 0.7717000      1.223000  
1 1 1 9  21 33  o 25.130  0.5467 -0.3226000     1.093000  
1 1 1 9  21 34  o 8.0840  1.1770 -2.563000      2.353000  
1 1 1 9  21 35  o 6.6040  1.2080 0.4274000E-01  2.417000  
1 1 1 9  21 36  o 7.1130  1.2410 -1.903000      2.482000  
1 1 1 9  21 37  o 9.0510  1.0640 0.9133000      2.127000  
1 1 1 9  21 38  o 14.400  0.7235 0.6838000E-01  1.447000  
1 1 1 9  21 39  o 13.420  0.7920 0.9923000      1.584000  
1 1 1 9  21 40  o 13.520  0.7886 -1.110000      1.577000  
1 1 1 9  21 41  o 11.500  0.9401 1.862000       1.880000  
1 1 1 9  21 42  o 4.9820  1.3690 -0.6247000     2.737000  
1 1 1 9  21 43  o 10.280  1.0260 -2.003000      2.053000  
1 1 1 9  21 44  o 18.760  0.6792 1.041000       1.358000  
1 1 1 9  21 45  o 11.270  0.9542 -0.3034000E-01 1.908000  
1 1 1 9  21 46  o 18.230  0.6778 -1.191000      1.356000  
1 1 1 9  21 47  o 7.0790  1.3490 0.1524000      2.699000  
1 1 1 9  21 48  o 4.8120  1.3440 -1.028000      2.688000  
1 1 1 9  21 49  o 5.6970  1.4010 -0.3203000     2.802000  
1 1 1 9  21 50  o 11.560  0.9665 -0.9598000     1.933000  
1 1 1 9  21 51  o 5.0390  1.3890 -0.1733000     2.778000  
1 1 1 9  21 52  o 3.3960  1.1330 -0.2058000     2.267000  
1 1 1 9  21 53  o 7.8670  1.3340 0.2534000      2.667000  
1 1 1 9  21 54  o 5.5580  1.3950 1.218000       2.791000  
1 1 1 9  21 55  f 3.5160  1.1590 -0.3354000     2.319000  
1 1 1 9  21 56  o 8.3150  1.3290 -0.8711000     2.659000  
1 1 1 9  21 57  o 5.6710  1.4520 0.1367000      2.904000  
1 1 1 9  21 58  o 4.3260  1.3150 -0.1608000     2.631000  
1 1 1 9  21 59  o 3.8490  1.2270 0.2508000      2.455000  
1 1 1 9  21 60  f 4.5850  1.3160 -2.038000      2.632000  
1 1 1 9  21 61  o 7.3010  1.3450 4.041000       2.691000  
1 1 1 9  21 62  o 4.1720  1.2930 -0.2862000E-01 2.587000  
1 1 1 9  21 63  o 6.2490  1.4870 0.9976000      2.973000  
1 1 1 9  21 64  o 4.0430  1.2750 1.516000       2.550000  
1 1 1 9  21 65  o 4.5580  1.3360 -1.093000      2.672000  
1 1 1 9  21 66  o 5.9230  1.4900 0.5938000      2.981000  
1 1 1 9  21 67  o 3.7690  1.2290 0.2507000      2.458000  
1 1 1 9  21 68  o 4.0600  1.2460 -1.539000      2.492000  
1 1 1 9  21 69  o 3.3570  1.1160 -0.4586000     2.233000  
1 1 1 9  21 70  o 4.1230  1.2240 -1.948000      2.448000  
1 1 1 9  21 71  f 4.0940  1.4340 -0.1679000     2.868000  
1 1 1 9  22 0   o 21.210  0.6303 0.000000       0.000000  
1 1 1 9  22 1   o 26.700  0.4686 -0.6304000     0.9372000 
1 1 1 9  22 2   o 25.680  0.4588 0.4797000      0.9176000 
1 1 1 9  22 3   o 30.430  0.4932 -0.2997000     0.9864000 
1 1 1 9  22 4   o 14.880  0.5946 -2.456000      1.189000  
1 1 1 9  22 5   o 20.870  0.5183 -1.057000      1.037000  
1 1 1 9  22 6   o 29.740  0.5352 1.831000       1.070000  
1 1 1 9  22 7   o 17.340  0.6449 -5.273000      1.290000  
1 1 1 9  22 8   o 18.400  0.4483 0.1037000      0.8966000 
1 1 1 9  22 9   o 16.790  0.4599 -0.6885000     0.9197000 
1 1 1 9  22 10  o 10.860  0.6754 2.783000       1.351000  
1 1 1 9  22 11  o 10.610  0.6716 0.1408000      1.343000  
1 1 1 9  22 12  o 19.820  0.4477 -0.1901000     0.8954000 
1 1 1 9  22 13  o 17.040  0.4677 -1.690000      0.9354000 
1 1 1 9  22 14  o 11.290  0.6374 -1.783000      1.275000  
1 1 1 9  22 15  o 21.100  0.4514 0.5679000      0.9028000 
1 1 1 9  22 16  o 18.670  0.4553 0.9062000      0.9107000 
1 1 1 9  22 17  o 17.260  0.4672 -0.1532000     0.9345000 
1 1 1 9  22 18  o 11.450  0.6675 -1.064000      1.335000  
1 1 1 9  22 19  o 24.930  0.4617 -1.073000      0.9233000 
1 1 1 9  22 20  o 16.200  0.5889 -1.314000      1.178000  
1 1 1 9  22 21  o 11.590  0.6296 -2.128000      1.259000  
1 1 1 9  22 22  o 10.250  0.6699 -0.2036000     1.340000  
1 1 1 9  22 23  o 17.190  0.4899 1.318000       0.9798000 
1 1 1 9  22 24  o 17.200  0.4840 -0.4362000     0.9681000 
1 1 1 9  22 25  o 9.7030  0.7437 -0.1344000     1.487000  
1 1 1 9  22 26  o 9.2390  0.7705 -0.3334000     1.541000  
1 1 1 9  22 27  o 11.690  0.6214 -0.2820000     1.243000  
1 1 1 9  22 28  o 15.680  0.5283 -1.346000      1.057000  
1 1 1 9  22 29  o 24.230  0.4901 -0.4603000     0.9802000 
1 1 1 9  22 30  o 11.530  0.8734 1.732000       1.747000  
1 1 1 9  22 31  o 22.980  0.5366 -0.4112000     1.073000  
1 1 1 9  22 32  o 17.530  0.5642 -0.4824000     1.128000  
1 1 1 9  22 33  o 6.5950  1.1920 -1.854000      2.384000  
1 1 1 9  22 34  o 4.3080  1.2070 -1.578000      2.414000  
1 1 1 9  22 35  o 5.2180  1.2620 -1.111000      2.524000  
1 1 1 9  22 36  o 7.7120  1.1050 3.097000       2.211000  
1 1 1 9  22 37  f 5.3240  1.3100 -1.821000      2.620000  
1 1 1 9  22 38  o 5.5260  1.2810 -2.917000      2.563000  
1 1 1 9  22 39  o 5.3820  1.3460 0.8320000      2.693000  
1 1 1 9  22 40  o 4.7680  1.3370 -0.5467000     2.675000  
1 1 1 9  22 41  o 8.3910  1.2230 1.171000       2.445000  
1 1 1 9  22 42  o 9.8860  1.1100 -3.751000      2.219000  
1 1 1 9  22 43  o 20.550  0.6599 -0.8363000E-01 1.320000  
1 1 1 9  22 44  o 7.8390  1.3240 -0.3406000     2.648000  
1 1 1 9  22 45  o 7.8850  1.2880 0.3244000      2.577000  
1 1 1 9  22 46  o 5.3170  1.3870 0.8314000E-01  2.774000  
1 1 1 9  22 47  o 5.2930  1.3480 1.300000       2.696000  
1 1 1 9  22 48  o 5.5980  1.3950 -0.2476000     2.790000  
1 1 1 9  22 49  o 9.8690  1.0900 -2.148000      2.179000  
1 1 1 9  22 50  o 5.3220  1.3520 1.969000       2.703000  
1 1 1 9  22 51  o 4.3010  1.3040 -0.5862000     2.608000  
1 1 1 9  22 52  o 4.3830  1.3210 -0.1524000     2.641000  
1 1 1 9  22 53  o 5.0110  1.3930 -0.9880000     2.786000  
1 1 1 9  22 54  o 3.4670  1.1470 0.1680000      2.295000  
1 1 1 9  22 55  f 3.5400  1.1570 -1.067000      2.313000  
1 1 1 9  22 56  o 5.6600  1.4330 -1.206000      2.866000  
1 1 1 9  22 57  f 3.8710  1.2440 0.6043000      2.489000  
1 1 1 9  22 58  o 4.4690  1.3290 0.1262000      2.658000  
1 1 1 9  22 59  o 3.5530  1.1730 0.1288000      2.346000  
1 1 1 9  22 60  f 3.4160  1.1480 0.3598000      2.296000  
1 1 1 9  22 61  o 4.8710  1.3870 -0.9248000     2.773000  
1 1 1 9  22 62  f 3.5040  1.1590 0.1984000      2.319000  
1 1 1 9  22 63  o 3.9620  1.2680 0.9375000      2.536000  
1 1 1 9  22 64  o 11.480  1.1020 1.195000       2.205000  
1 1 1 9  22 65  o 4.6850  1.3580 -0.7103000     2.716000  
1 1 1 9  22 66  o 3.4870  1.1440 -0.7741000     2.287000  
1 1 1 9  22 67  o 3.2860  1.1020 0.3051000      2.204000  
1 1 1 9  22 68  o 3.2080  1.6470 ?              ?         
1 1 1 9  23 0   o 9.9370  0.9275 -0.000000      0.000000  
1 1 1 9  23 1   o 14.730  0.4891 -0.9473000     0.9782000 
1 1 1 9  23 2   o 21.940  0.4890 0.5473000      0.9780000 
1 1 1 9  23 3   o 31.730  0.5090 -2.347000      1.018000  
1 1 1 9  23 4   o 23.310  0.6025 -2.619000      1.205000  
1 1 1 9  23 5   o 9.6190  0.7486 -1.703000      1.497000  
1 1 1 9  23 6   f 7.7050  0.9914 0.5545000      1.983000  
1 1 1 9  23 7   o 24.530  0.4581 1.281000       0.9162000 
1 1 1 9  23 8   o 25.430  0.4620 -0.5025000     0.9241000 
1 1 1 9  23 9   f 14.030  0.6987 9.286000       1.397000  
1 1 1 9  23 10  o 18.530  0.4594 -0.1145000     0.9188000 
1 1 1 9  23 11  o 16.560  0.4817 -0.6806000     0.9633000 
1 1 1 9  23 12  o 21.520  0.4580 1.037000       0.9160000 
1 1 1 9  23 13  o 23.730  0.4669 -2.626000      0.9337000 
1 1 1 9  23 14  o 29.610  0.4944 -1.770000      0.9889000 
1 1 1 9  23 15  o 26.020  0.4815 -0.4328000     0.9631000 
1 1 1 9  23 16  o 18.980  0.5466 1.986000       1.093000  
1 1 1 9  23 17  o 8.6080  0.8790 2.005000       1.758000  
1 1 1 9  23 18  o 16.800  0.4851 1.673000       0.9703000 
1 1 1 9  23 19  o 12.500  0.5500 0.8857000      1.100000  
1 1 1 9  23 20  o 11.140  0.6214 1.375000       1.243000  
1 1 1 9  23 21  o 12.300  0.5903 -0.6848000     1.181000  
1 1 1 9  23 22  o 11.860  0.5958 0.5392000      1.192000  
1 1 1 9  23 23  o 14.660  0.5312 -0.2623000     1.062000  
1 1 1 9  23 24  o 13.830  0.5396 -0.1919000     1.079000  
1 1 1 9  23 25  o 13.130  0.5707 0.3046000      1.141000  
1 1 1 9  23 26  o 5.7090  1.1320 -1.348000      2.263000  
1 1 1 9  23 27  o 15.220  0.5335 0.3132000      1.067000  
1 1 1 9  23 28  f 19.530  0.4857 -0.3134000     0.9713000 
1 1 1 9  23 29  f 16.000  0.5226 -1.195000      1.045000  
1 1 1 9  23 30  o 3.8110  1.1000 0.8909000      2.201000  
1 1 1 9  23 31  o 9.3280  0.8622 -0.6857000     1.724000  
1 1 1 9  23 32  o 15.670  0.6025 0.1142000      1.205000  
1 1 1 9  23 33  o 9.9290  0.8935 -3.349000      1.787000  
1 1 1 9  23 34  o 10.280  0.8904 2.736000       1.781000  
1 1 1 9  23 35  o 10.220  0.8764 -1.350000      1.753000  
1 1 1 9  23 36  o 5.4140  1.2900 -1.128000      2.580000  
1 1 1 9  23 37  o 10.840  0.8497 -0.4069000     1.699000  
1 1 1 9  23 38  o 5.8570  1.3150 -2.818000      2.630000  
1 1 1 9  23 39  o 11.270  0.8880 1.260000       1.776000  
1 1 1 9  23 40  o 8.3950  1.2040 1.720000       2.407000  
1 1 1 9  23 41  o 7.8650  1.2680 -1.631000      2.537000  
1 1 1 9  23 42  o 7.7850  1.2350 -1.992000      2.470000  
1 1 1 9  23 43  o 11.650  0.9069 -0.7212000     1.814000  
1 1 1 9  23 44  o 3.4460  1.1380 -0.6928000     2.277000  
1 1 1 9  23 45  o 7.8000  1.2890 -0.5345000     2.579000  
1 1 1 9  23 46  f 11.310  0.9701 0.7605000      1.940000  
1 1 1 9  23 47  o 12.940  0.8534 -0.5690000     1.707000  
1 1 1 9  23 48  o 4.4140  1.3110 -0.5332000     2.621000  
1 1 1 9  23 49  o 4.1980  1.2510 -1.720000      2.501000  
1 1 1 9  23 50  o 3.8510  1.1980 1.620000       2.396000  
1 1 1 9  23 51  o 4.8980  1.3720 0.5847000      2.743000  
1 1 1 9  23 52  o 5.2900  1.3900 1.685000       2.781000  
1 1 1 9  23 53  o 7.3140  1.3710 -1.657000      2.742000  
1 1 1 9  23 54  f 4.1730  1.2810 0.5028000      2.562000  
1 1 1 9  23 55  o 5.9840  1.4380 -1.255000      2.875000  
1 1 1 9  23 56  o 5.4460  1.4590 -0.4641000     2.919000  
1 1 1 9  23 57  o 4.3560  1.3340 -0.1992000     2.669000  
1 1 1 9  23 58  o 3.5660  1.1760 0.6234000      2.351000  
1 1 1 9  23 59  o 4.7290  1.3380 -2.039000      2.676000  
1 1 1 9  23 60  o 5.5540  1.4510 1.394000       2.901000  
1 1 1 9  23 61  o 3.9130  1.2530 0.5737000      2.505000  
1 1 1 9  23 62  o 5.8930  1.4280 0.5297000      2.856000  
1 1 1 9  23 63  o 4.1430  1.2480 -1.630000      2.496000  
1 1 1 9  23 64  o 3.7890  1.2260 -0.6408000     2.452000  
1 1 1 9  23 65  o 3.4780  1.7720 ?              ?         
1 1 1 9  24 0   o 19.890  0.6457 -0.000000      0.000000  
1 1 1 9  24 1   f 11.960  0.5591 -2.140000      1.118000  
1 1 1 9  24 2   o 18.190  0.4546 0.9669000E-01  0.9091000 
1 1 1 9  24 3   o 19.370  0.4542 -1.901000      0.9085000 
1 1 1 9  24 4   o 7.9010  0.7857 0.6861000      1.571000  
1 1 1 9  24 5   o 4.5940  1.1000 -0.7640000     2.200000  
1 1 1 9  24 6   o 6.0720  1.0060 -2.824000      2.012000  
1 1 1 9  24 7   o 11.010  0.5889 -0.9457000     1.178000  
1 1 1 9  24 8   o 23.340  0.4522 0.1744000      0.9043000 
1 1 1 9  24 9   o 16.540  0.5697 -5.026000      1.139000  
1 1 1 9  24 10  o 17.010  0.4707 -0.4617000     0.9415000 
1 1 1 9  24 11  o 20.640  0.4558 -1.308000      0.9117000 
1 1 1 9  24 12  o 9.2210  0.8339 3.145000       1.668000  
1 1 1 9  24 13  o 10.530  0.6520 -1.198000      1.304000  
1 1 1 9  24 14  o 25.630  0.5106 -1.088000      1.021000  
1 1 1 9  24 15  o 11.770  0.9486 -4.036000      1.897000  
1 1 1 9  24 16  o 10.510  0.6385 -0.4409000     1.277000  
1 1 1 9  24 17  o 14.300  0.5342 -0.5130000     1.068000  
1 1 1 9  24 18  o 17.180  0.4855 0.4344000      0.9709000 
1 1 1 9  24 19  o 9.4190  0.8311 4.220000       1.662000  
1 1 1 9  24 20  o 11.140  0.6420 -1.871000      1.284000  
1 1 1 9  24 21  o 9.6920  0.7420 1.478000       1.484000  
1 1 1 9  24 22  o 14.320  0.5352 -1.647000      1.070000  
1 1 1 9  24 23  o 10.710  0.6771 -1.859000      1.354000  
1 1 1 9  24 24  o 9.8090  0.7489 -1.770000      1.498000  
1 1 1 9  24 25  o 6.2370  1.0450 -1.269000      2.091000  
1 1 1 9  24 26  o 7.9550  0.9308 -0.2568000E-01 1.862000  
1 1 1 9  24 27  o 12.200  0.6385 -1.732000      1.277000  
1 1 1 9  24 28  o 11.620  0.6370 -0.4921000     1.274000  
1 1 1 9  24 29  o 7.2280  1.0340 -0.8882000     2.068000  
1 1 1 9  24 30  o 12.050  0.6564 -1.095000      1.313000  
1 1 1 9  24 31  o 17.830  0.5175 -0.9900000     1.035000  
1 1 1 9  24 32  o 10.590  0.7267 -0.8565000     1.453000  
1 1 1 9  24 33  o 7.0790  1.1730 -0.3544000     2.346000  
1 1 1 9  24 34  o 14.140  0.6655 -0.2962000     1.331000  
1 1 1 9  24 35  o 8.9220  1.0300 0.6183000      2.060000  
1 1 1 9  24 36  o 9.5620  0.9226 -2.100000      1.845000  
1 1 1 9  24 37  o 10.060  0.9031 -1.138000      1.806000  
1 1 1 9  24 38  o 4.9520  1.2660 -2.320000      2.532000  
1 1 1 9  24 39  o 7.1780  1.2740 -2.478000      2.549000  
1 1 1 9  24 40  o 3.8330  1.1510 1.869000       2.302000  
1 1 1 9  24 41  o 10.610  0.9489 -1.915000      1.898000  
1 1 1 9  24 42  o 5.2120  1.3600 0.7298000      2.721000  
1 1 1 9  24 43  f 5.2860  1.3000 2.385000       2.599000  
1 1 1 9  24 44  o 7.9310  1.2820 0.7659000      2.563000  
1 1 1 9  24 45  o 7.4700  1.3220 -0.9796000     2.645000  
1 1 1 9  24 46  o 7.1350  1.3540 2.092000       2.708000  
1 1 1 9  24 47  o 4.1530  1.2900 -0.6569000     2.580000  
1 1 1 9  24 48  o 5.5600  1.4080 1.739000       2.816000  
1 1 1 9  24 49  o 4.7890  1.3700 -0.4785000     2.739000  
1 1 1 9  24 50  o 6.5820  1.3180 3.567000       2.636000  
1 1 1 9  24 51  o 7.5770  1.3310 2.053000       2.663000  
1 1 1 9  24 52  o 3.9380  1.2210 2.101000       2.442000  
1 1 1 9  24 53  o 5.7080  1.3350 -3.453000      2.669000  
1 1 1 9  24 54  o 4.2760  1.3140 0.1287000E-01  2.628000  
1 1 1 9  24 55  o 3.5670  1.1720 0.4432000      2.345000  
1 1 1 9  24 56  o 3.9570  1.2480 0.6949000      2.496000  
1 1 1 9  24 57  f 4.9730  1.4140 0.5155000      2.828000  
1 1 1 9  24 58  o 4.0190  1.2610 1.196000       2.523000  
1 1 1 9  24 59  o 3.8820  1.2320 -1.210000      2.464000  
1 1 1 9  24 60  o 3.9440  1.2480 -0.6388000     2.496000  
1 1 1 9  24 61  o 4.0320  2.0080 ?              ?         
1 1 1 9  25 0   o 5.8260  1.7720 0.000000       0.000000  
1 1 1 9  25 1   o 4.0040  1.0690 -0.6181000     2.138000  
1 1 1 9  25 2   o 5.5430  1.0710 -0.4745000     2.143000  
1 1 1 9  25 3   o 12.740  0.5588 0.1376000      1.118000  
1 1 1 9  25 4   o 8.1020  0.8152 -0.8398000     1.630000  
1 1 1 9  25 5   o 11.000  0.6106 0.7694000      1.221000  
1 1 1 9  25 6   o 8.7840  0.8257 -2.312000      1.651000  
1 1 1 9  25 7   o 12.540  0.5708 -1.272000      1.142000  
1 1 1 9  25 8   o 8.6910  0.7514 -0.9188000     1.503000  
1 1 1 9  25 9   o 14.280  0.5153 -0.7371000     1.031000  
1 1 1 9  25 10  o 16.290  0.4952 0.3977000E-01  0.9904000 
1 1 1 9  25 11  o 10.420  0.6665 -1.239000      1.333000  
1 1 1 9  25 12  o 14.710  0.5161 -0.4505000     1.032000  
1 1 1 9  25 13  o 10.610  0.6828 2.367000       1.366000  
1 1 1 9  25 14  o 9.5760  0.7209 0.1540000      1.442000  
1 1 1 9  25 15  o 9.2070  0.7178 -0.3837000     1.436000  
1 1 1 9  25 16  o 13.900  0.5391 -0.4706000     1.078000  
1 1 1 9  25 17  o 8.6270  0.8244 2.573000       1.649000  
1 1 1 9  25 18  o 12.530  0.5695 0.1212000      1.139000  
1 1 1 9  25 19  o 12.370  0.6046 -2.145000      1.209000  
1 1 1 9  25 20  o 13.630  0.5527 -0.7591000     1.105000  
1 1 1 9  25 21  o 12.470  0.6031 1.895000       1.206000  
1 1 1 9  25 22  o 7.9830  0.9177 2.008000       1.835000  
1 1 1 9  25 23  o 10.840  0.6765 -0.5160000     1.353000  
1 1 1 9  25 24  o 9.2660  0.7931 -1.323000      1.586000  
1 1 1 9  25 25  o 13.050  0.5944 -2.123000      1.189000  
1 1 1 9  25 26  o 8.2060  0.9114 -2.082000      1.823000  
1 1 1 9  25 27  o 12.860  0.6224 0.1160000      1.245000  
1 1 1 9  25 28  o 5.8220  1.1610 -1.505000      2.321000  
1 1 1 9  25 29  o 4.8660  1.1930 0.4857000      2.386000  
1 1 1 9  25 30  o 5.4090  1.1820 -1.780000      2.364000  
1 1 1 9  25 31  o 16.220  0.5470 0.2033000      1.094000  
1 1 1 9  25 32  o 7.6510  1.0430 -1.261000      2.086000  
1 1 1 9  25 33  o 12.670  0.7453 0.5686000      1.491000  
1 1 1 9  25 34  o 6.0890  1.2250 1.821000       2.449000  
1 1 1 9  25 35  o 9.4050  0.9579 0.5853000      1.916000  
1 1 1 9  25 36  f 14.430  0.6980 0.4235000      1.396000  
1 1 1 9  25 37  o 10.250  0.9285 -1.825000      1.857000  
1 1 1 9  25 38  o 3.9840  1.1890 -1.162000      2.379000  
1 1 1 9  25 39  o 14.110  0.7103 1.241000       1.421000  
1 1 1 9  25 40  o 5.3600  1.4070 0.6483000      2.814000  
1 1 1 9  25 41  f 4.3470  1.2930 -0.8883000     2.586000  
1 1 1 9  25 42  o 8.9630  1.1570 1.668000       2.314000  
1 1 1 9  25 43  o 6.0210  1.3810 1.877000       2.762000  
1 1 1 9  25 44  o 4.7380  1.3360 -1.384000      2.673000  
1 1 1 9  25 45  o 5.2660  1.3940 -0.9762000     2.788000  
1 1 1 9  25 46  f 6.7280  1.3970 -1.285000      2.795000  
1 1 1 9  25 47  o 5.0170  1.3780 0.6005000      2.755000  
1 1 1 9  25 48  o 3.9450  1.2410 -0.6481000     2.482000  
1 1 1 9  25 49  o 4.5190  1.3390 -0.9382000E-01 2.677000  
1 1 1 9  25 50  o 4.0040  1.2630 0.3068000      2.526000  
1 1 1 9  25 51  o 4.4190  1.3180 1.269000       2.636000  
1 1 1 9  25 52  o 3.2030  1.0870 -0.4710000     2.175000  
1 1 1 9  25 53  o 3.4990  1.1600 0.9560000      2.319000  
1 1 1 9  25 54  o 4.5530  1.3530 -0.7580000     2.705000  
1 1 1 9  25 55  o 3.1770  1.0830 -0.2110000E-01 2.166000  
1 1 1 9  25 56  o 2.8260  0.9851 -0.3671000     1.970000  
1 1 1 9  25 57  o 3.2130  1.6030 ?              ?         
1 1 1 9  26 0   o 4.4980  1.9570 -0.000000      0.000000  
1 1 1 9  26 1   o 3.9980  1.0940 -0.2975000     2.189000  
1 1 1 9  26 2   o 5.2140  1.1280 -0.4877000     2.257000  
1 1 1 9  26 3   o 12.400  0.5805 -1.146000      1.161000  
1 1 1 9  26 4   o 11.820  0.6079 -1.021000      1.216000  
1 1 1 9  26 5   o 12.090  0.5924 -0.2193000E-01 1.185000  
1 1 1 9  26 6   o 9.3840  0.7365 -1.776000      1.473000  
1 1 1 9  26 7   f 5.3080  1.1340 0.1075000      2.268000  
1 1 1 9  26 8   o 4.8130  1.1150 -0.3592000     2.231000  
1 1 1 9  26 9   o 6.6940  1.0060 -0.2132000E-01 2.012000  
1 1 1 9  26 10  o 12.760  0.5657 -1.027000      1.131000  
1 1 1 9  26 11  o 13.280  0.5580 -0.3006000     1.116000  
1 1 1 9  26 12  o 9.7060  0.7270 -0.2269000E-01 1.454000  
1 1 1 9  26 13  o 8.6250  0.7811 -1.067000      1.562000  
1 1 1 9  26 14  o 4.3770  1.0870 -2.036000      2.175000  
1 1 1 9  26 15  o 4.0250  1.1020 0.1108000      2.204000  
1 1 1 9  26 16  o 8.3130  0.8418 1.585000       1.684000  
1 1 1 9  26 17  o 7.5820  0.9479 -3.039000      1.896000  
1 1 1 9  26 18  o 5.5500  1.0360 -3.386000      2.071000  
1 1 1 9  26 19  f 7.3290  0.9629 0.2208000      1.926000  
1 1 1 9  26 20  o 8.3870  0.8442 2.955000       1.688000  
1 1 1 9  26 21  o 8.5820  0.8363 -0.2130000     1.673000  
1 1 1 9  26 22  o 16.050  0.5207 -0.2737000     1.041000  
1 1 1 9  26 23  o 9.4770  0.7921 1.902000       1.584000  
1 1 1 9  26 24  o 14.740  0.5570 0.2255000      1.114000  
1 1 1 9  26 25  o 7.3740  1.0030 1.695000       2.006000  
1 1 1 9  26 26  o 13.380  0.6043 -0.4293000     1.209000  
1 1 1 9  26 27  o 11.100  0.6835 -0.9670000     1.367000  
1 1 1 9  26 28  o 8.5990  0.9029 -0.8536000     1.806000  
1 1 1 9  26 29  o 15.380  0.5628 -0.4744000     1.126000  
1 1 1 9  26 30  o 11.270  0.7267 0.5244000      1.453000  
1 1 1 9  26 31  o 7.5810  1.0300 1.484000       2.060000  
1 1 1 9  26 32  f 5.9170  1.2160 0.1366000      2.433000  
1 1 1 9  26 33  o 9.0260  0.8744 -0.3774000     1.749000  
1 1 1 9  26 34  o 3.6430  1.1410 0.1342000      2.282000  
1 1 1 9  26 35  o 16.770  0.6258 1.468000       1.252000  
1 1 1 9  26 36  o 4.6920  1.2760 0.2085000      2.553000  
1 1 1 9  26 37  o 11.180  0.8477 -0.6775000E-01 1.695000  
1 1 1 9  26 38  o 10.710  0.9663 4.678000       1.933000  
1 1 1 9  26 39  o 5.6830  1.2790 -0.9948000E-01 2.557000  
1 1 1 9  26 40  o 3.7180  1.1440 -2.111000      2.288000  
1 1 1 9  26 41  o 4.0220  1.2350 0.7252000      2.469000  
1 1 1 9  26 42  o 3.5160  1.1490 0.2570000      2.299000  
1 1 1 9  26 43  f 5.2030  1.3780 0.7405000      2.755000  
1 1 1 9  26 44  o 4.4780  1.2690 -1.649000      2.538000  
1 1 1 9  26 45  o 4.5260  1.3060 -0.6935000     2.611000  
1 1 1 9  26 46  o 5.1270  1.3640 1.676000       2.727000  
1 1 1 9  26 47  o 10.190  1.1040 2.713000       2.208000  
1 1 1 9  26 48  o 5.4190  1.4150 -1.384000      2.829000  
1 1 1 9  26 49  o 4.2400  1.3000 0.4196000      2.601000  
1 1 1 9  26 50  o 5.7140  1.4050 -2.236000      2.809000  
1 1 1 9  26 51  o 5.0440  1.4100 0.5681000      2.820000  
1 1 1 9  26 52  o 3.7850  1.7180 ?              ?         
1 1 1 9  26 53  o 4.0320  1.9960 ?              ?         
1 1 1 9  27 0   o 7.8430  1.2760 0.000000       0.000000  
1 1 1 9  27 1   o 10.520  0.6617 0.2509000      1.323000  
1 1 1 9  27 2   o 12.030  0.6141 1.468000       1.228000  
1 1 1 9  27 3   f 15.410  0.5209 -0.8069000     1.042000  
1 1 1 9  27 4   o 13.070  0.5592 1.292000       1.118000  
1 1 1 9  27 5   o 10.810  0.6407 -0.6250000E-01 1.281000  
1 1 1 9  27 6   o 6.6850  1.0280 0.6341000      2.056000  
1 1 1 9  27 7   o 12.080  0.6184 -0.9073000E-01 1.237000  
1 1 1 9  27 8   o 12.200  0.6106 2.491000       1.221000  
1 1 1 9  27 9   o 12.900  0.5594 -1.239000      1.119000  
1 1 1 9  27 10  o 11.690  0.6578 0.5356000      1.316000  
1 1 1 9  27 11  o 12.070  0.6157 -0.1579000     1.231000  
1 1 1 9  27 12  f 9.6990  0.7638 2.694000       1.528000  
1 1 1 9  27 13  o 7.7250  0.9080 -0.9869000     1.816000  
1 1 1 9  27 14  o 9.7220  0.7396 -0.5377000     1.479000  
1 1 1 9  27 15  o 11.300  0.6470 1.012000       1.294000  
1 1 1 9  27 16  o 7.8550  0.9336 -1.102000      1.867000  
1 1 1 9  27 17  o 4.5790  1.1570 -0.4454000     2.314000  
1 1 1 9  27 18  o 3.6210  1.0740 0.1118000      2.147000  
1 1 1 9  27 19  f 7.3790  0.9940 0.8294000      1.988000  
1 1 1 9  27 20  o 17.050  0.5158 -0.8863000E-01 1.032000  
1 1 1 9  27 21  f 9.2370  0.9035 1.834000       1.807000  
1 1 1 9  27 22  o 12.520  0.6144 0.1668000      1.229000  
1 1 1 9  27 23  o 6.0880  1.1330 -0.7427000     2.266000  
1 1 1 9  27 24  o 5.5170  1.1100 -2.010000      2.220000  
1 1 1 9  27 25  o 4.7850  1.1770 -1.585000      2.353000  
1 1 1 9  27 26  o 3.0260  0.9893 -0.1744000     1.979000  
1 1 1 9  27 27  o 8.7260  0.8802 -0.7623000     1.760000  
1 1 1 9  27 28  o 10.260  0.7213 -1.180000      1.443000  
1 1 1 9  27 29  o 3.6320  1.1020 -0.2191000E-01 2.203000  
1 1 1 9  27 30  o 6.6900  1.0980 0.7510000      2.195000  
1 1 1 9  27 31  o 4.5890  1.1990 -0.6255000     2.399000  
1 1 1 9  27 32  o 4.3260  1.1750 0.2996000      2.349000  
1 1 1 9  27 33  o 14.290  0.6106 -0.4847000E-01 1.221000  
1 1 1 9  27 34  o 6.2650  1.1570 -0.1454000     2.314000  
1 1 1 9  27 35  o 4.9600  1.2440 -2.489000      2.487000  
1 1 1 9  27 36  o 7.6930  1.1460 -2.523000      2.293000  
1 1 1 9  27 37  o 6.5060  1.2540 -1.492000      2.509000  
1 1 1 9  27 38  o 3.5050  1.1240 -1.074000      2.248000  
1 1 1 9  27 39  o 9.3300  0.9522 1.018000       1.904000  
1 1 1 9  27 40  o 4.4010  1.2400 0.1416000E-01  2.480000  
1 1 1 9  27 41  o 4.0700  1.2090 -0.8437000     2.417000  
1 1 1 9  27 42  f 7.9120  1.3130 1.851000       2.626000  
1 1 1 9  27 43  o 3.7270  1.2030 -0.1281000     2.407000  
1 1 1 9  27 44  o 4.1870  1.2670 -0.8659000     2.534000  
1 1 1 9  27 45  o 3.9430  1.2270 -0.7157000     2.454000  
1 1 1 9  27 46  o 3.9370  1.2180 1.268000       2.436000  
1 1 1 9  27 47  o 5.3610  1.9380 ?              ?         
1 1 1 9  27 48  o 3.4030  1.7280 ?              ?         
1 1 1 9  28 0   o 7.3160  1.4610 -0.000000      0.000000  
1 1 1 9  28 1   o 12.390  0.6097 -1.447000      1.219000  
1 1 1 9  28 2   o 13.320  0.5675 -0.5771000     1.135000  
1 1 1 9  28 3   o 13.340  0.5660 -0.9173000     1.132000  
1 1 1 9  28 4   o 17.660  0.5038 0.6073000      1.008000  
1 1 1 9  28 5   o 6.4850  1.1080 -0.6120000     2.215000  
1 1 1 9  28 6   o 5.4270  1.1490 0.7017000      2.298000  
1 1 1 9  28 7   o 5.5050  1.1240 1.113000       2.248000  
1 1 1 9  28 8   o 6.1420  1.0880 -0.5315000     2.176000  
1 1 1 9  28 9   o 11.330  0.6642 -1.412000      1.328000  
1 1 1 9  28 10  o 14.710  0.5439 0.9972000      1.088000  
1 1 1 9  28 11  o 11.860  0.6491 -0.3128000     1.298000  
1 1 1 9  28 12  f 5.5220  1.1280 -2.269000      2.256000  
1 1 1 9  28 13  o 11.830  0.6593 -2.293000      1.319000  
1 1 1 9  28 14  o 16.070  0.5179 -1.891000      1.036000  
1 1 1 9  28 15  o 15.110  0.5496 -0.1082000     1.099000  
1 1 1 9  28 16  o 10.100  0.7627 -2.369000      1.525000  
1 1 1 9  28 17  o 9.0620  0.8886 -2.093000      1.777000  
1 1 1 9  28 18  o 6.9580  1.0400 -1.557000      2.079000  
1 1 1 9  28 19  f 3.9550  1.1390 0.7286000      2.278000  
1 1 1 9  28 20  o 7.6620  0.9537 -0.6523000     1.907000  
1 1 1 9  28 21  o 6.6220  1.0810 -1.404000      2.161000  
1 1 1 9  28 22  f 5.8020  1.1240 2.265000       2.248000  
1 1 1 9  28 23  f 6.2400  1.1160 -0.2782000     2.232000  
1 1 1 9  28 24  o 7.9960  0.9592 -0.1711000     1.918000  
1 1 1 9  28 25  o 5.5740  1.1680 -0.9093000     2.336000  
1 1 1 9  28 26  o 4.8910  1.2090 0.8541000      2.417000  
1 1 1 9  28 27  o 7.9710  0.9762 -2.041000      1.952000  
1 1 1 9  28 28  o 6.5150  1.1590 -0.2815000     2.318000  
1 1 1 9  28 29  o 3.2880  1.0460 0.1260000      2.092000  
1 1 1 9  28 30  o 4.6710  1.2160 0.2980000      2.432000  
1 1 1 9  28 31  o 3.3840  1.0610 -0.3174000     2.123000  
1 1 1 9  28 32  o 5.7820  1.1770 -0.3990000     2.354000  
1 1 1 9  28 33  f 3.9530  1.1520 0.2698000      2.304000  
1 1 1 9  28 34  o 6.5920  1.0910 2.686000       2.183000  
1 1 1 9  28 35  o 3.6120  1.1060 0.4954000      2.212000  
1 1 1 9  28 36  o 3.2330  1.0350 0.8595000      2.070000  
1 1 1 9  28 37  f 3.4200  1.1040 -0.9892000     2.208000  
1 1 1 9  28 38  o 3.5680  1.1340 -0.6613000     2.267000  
1 1 1 9  28 39  o 3.0780  1.0200 0.7021000E-01  2.040000  
1 1 1 9  28 40  o 5.0400  1.4020 -0.8225000     2.804000  
1 1 1 9  28 41  o 5.2790  1.6120 0.4441000      3.225000  
1 1 1 9  28 42  o 3.8870  1.3580 0.4582000      2.716000  
1 1 1 9  29 0   o 4.6200  2.0150 0.000000       0.000000  
1 1 1 9  29 1   o 5.7460  1.1530 1.129000       2.307000  
1 1 1 9  29 2   f 7.6780  0.9523 -2.794000      1.905000  
1 1 1 9  29 3   o 5.4850  1.0970 -1.687000      2.193000  
1 1 1 9  29 4   o 8.5290  0.8382 -0.1816000     1.676000  
1 1 1 9  29 5   o 8.1810  0.9045 0.1103000E-01  1.809000  
1 1 1 9  29 6   o 8.3160  0.8882 -1.071000      1.776000  
1 1 1 9  29 7   o 6.1070  1.1520 0.7986000      2.303000  
1 1 1 9  29 8   o 4.5600  1.1490 -0.7252000     2.299000  
1 1 1 9  29 9   o 6.8910  1.0360 -1.567000      2.073000  
1 1 1 9  29 10  o 4.1880  1.1360 0.6718000      2.272000  
1 1 1 9  29 11  o 3.2570  1.0210 -0.2414000     2.041000  
1 1 1 9  29 12  o 4.3120  1.1340 -1.550000      2.267000  
1 1 1 9  29 13  o 3.6120  1.0830 -0.6120000     2.167000  
1 1 1 9  29 14  o 5.0870  1.1700 -1.604000      2.340000  
1 1 1 9  29 15  o 9.0560  0.8540 1.643000       1.708000  
1 1 1 9  29 16  o 10.700  0.7278 -0.7254000E-01 1.456000  
1 1 1 9  29 17  o 5.1400  1.1280 -2.389000      2.256000  
1 1 1 9  29 18  f 3.5210  1.0450 -1.570000      2.091000  
1 1 1 9  29 19  o 4.2900  1.1820 -0.6984000     2.365000  
1 1 1 9  29 20  o 4.4780  1.1790 -1.289000      2.357000  
1 1 1 9  29 21  o 4.1800  1.1660 -0.1332000     2.332000  
1 1 1 9  29 22  o 6.5980  1.1200 -0.7628000E-01 2.240000  
1 1 1 9  29 23  o 6.2110  1.1310 0.6805000      2.263000  
1 1 1 9  29 24  o 7.4790  1.0350 1.398000       2.070000  
1 1 1 9  29 25  f 7.5090  1.0190 -3.268000      2.039000  
1 1 1 9  29 26  o 3.2430  1.0430 -0.5006000     2.087000  
1 1 1 9  29 27  o 3.7890  1.1360 0.2427000      2.273000  
1 1 1 9  29 28  o 3.6370  1.1000 -0.3752000     2.199000  
1 1 1 9  29 29  o 3.1410  1.0210 -0.6391000E-01 2.042000  
1 1 1 9  29 30  o 5.6290  1.1970 0.1653000      2.395000  
1 1 1 9  29 31  o 4.3300  1.1810 -0.4695000     2.363000  
1 1 1 9  29 32  o 3.0350  1.0100 -0.1468000     2.020000  
1 1 1 9  29 33  o 4.5050  1.3740 -0.1652000     2.747000  
1 1 1 9  29 34  o 3.6380  1.2810 -0.2518000     2.562000  
1 1 1 9  30 0   o 14.200  0.8275 -0.000000      0.000000  
1 1 1 9  30 1   o 8.2720  0.9360 2.036000       1.872000  
1 1 1 9  30 2   o 6.0210  1.1570 0.3893000      2.314000  
1 1 1 9  30 3   o 5.0430  1.1880 -0.1001000     2.376000  
1 1 1 9  30 4   o 3.0980  1.0020 0.3842000      2.005000  
1 1 1 9  30 5   o 3.8250  1.1220 -0.9466000     2.245000  
1 1 1 9  30 6   o 4.2560  1.1680 -0.6050000     2.337000  
1 1 1 9  30 7   o 7.3390  1.0310 -1.782000      2.063000  
1 1 1 9  30 8   o 6.5340  1.1200 -1.057000      2.240000  
1 1 1 9  30 9   o 6.2860  1.1040 -2.169000      2.207000  
1 1 1 9  30 10  o 4.5550  1.1730 -0.7632000     2.346000  
1 1 1 9  30 11  f 3.5060  1.0790 -0.1722000E-01 2.157000  
1 1 1 9  30 12  o 3.7280  1.1020 -0.5592000     2.205000  
1 1 1 9  30 13  o 6.2380  1.1900 -0.3513000     2.381000  
1 1 1 9  30 14  o 6.8170  1.1240 2.600000       2.248000  
1 1 1 9  30 15  f 5.8020  1.1860 -1.462000      2.372000  
1 1 1 9  30 16  o 5.3630  1.2280 -0.1565000     2.456000  
1 1 1 9  30 17  o 7.2070  1.0700 -1.557000      2.139000  
1 1 1 9  30 18  o 3.2230  1.0260 -0.7987000     2.051000  
1 1 1 9  30 19  o 3.9660  1.1560 0.8520000E-01  2.312000  
1 1 1 9  30 20  o 7.6970  1.0130 -2.381000      2.026000  
1 1 1 9  30 21  o 9.7330  0.8163 -0.6540000     1.633000  
1 1 1 9  30 22  o 6.3780  1.3320 -0.7239000     2.664000  
1 1 1 9  30 23  o 4.3190  1.3900 -1.908000      2.780000  
1 1 1 9  30 24  o 4.2570  2.0630 ?              ?         
1 1 1 9  30 25  o 4.1680  2.0280 ?              ?         
1 1 1 10 0  1   o 24.600  0.9907 0.000000       0.000000  
1 1 1 10 0  2   f 48.130  1.9030 0.000000       0.000000  
1 1 1 10 0  3   o 3.2570  1.0760 -0.000000      0.000000  
1 1 1 10 0  4   o 20.550  0.8333 0.000000       0.000000  
1 1 1 10 0  5   o 43.670  1.7250 -0.000000      0.000000  
1 1 1 10 0  6   o 14.450  0.6161 0.000000       0.000000  
1 1 1 10 0  7   o 21.930  0.8779 0.000000       0.000000  
1 1 1 10 0  8   o 33.060  1.3080 0.000000       0.000000  
1 1 1 10 0  9   o 17.470  0.7301 0.000000       0.000000  
1 1 1 10 0  16  o 5.6030  0.5496 -0.000000      0.000000  
1 1 1 10 0  17  o 10.680  0.4594 0.000000       0.000000  
1 1 1 10 0  18  o 31.650  0.8942 0.000000       0.000000  
1 1 1 10 0  19  o 12.270  0.5124 0.000000       0.000000  
1 1 1 10 0  20  o 54.500  2.1570 0.000000       0.000000  
1 1 1 10 0  21  o 9.3210  0.8267 0.000000       0.000000  
1 1 1 10 0  22  o 49.000  1.9450 0.000000       0.000000  
1 1 1 10 0  23  f 29.050  1.1900 0.000000       0.000000  
1 1 1 10 0  24  o 10.600  0.8872 0.000000       0.000000  
1 1 1 10 0  25  o 77.400  3.0840 0.000000       0.000000  
1 1 1 10 0  26  o 30.580  1.2680 0.000000       0.000000  
1 1 1 10 0  27  f 23.850  1.0570 0.000000       0.000000  
1 1 1 10 0  28  o 50.560  2.0190 0.000000       0.000000  
1 1 1 10 0  29  o 22.430  1.0650 0.000000       0.000000  
1 1 1 10 0  30  o 49.200  1.9710 0.000000       0.000000  
1 1 1 10 0  31  o 16.560  1.0780 0.000000       0.000000  
1 1 1 10 0  32  f 58.210  2.3200 0.000000       0.000000  
1 1 1 10 0  33  o 15.510  1.1600 0.000000       0.000000  
1 1 1 10 0  34  o 30.970  1.3460 0.000000       0.000000  
1 1 1 10 0  35  o 14.050  1.2120 0.000000       0.000000  
1 1 1 10 0  36  f 9.8890  1.9190 0.000000       0.000000  
1 1 1 10 0  37  o 46.460  1.8880 0.000000       0.000000  
1 1 1 10 0  38  o 3.3830  2.1260 0.000000       0.000000  
1 1 1 10 0  39  o 6.5200  2.5290 0.000000       0.000000  
1 1 1 10 0  40  o 14.920  1.3330 0.000000       0.000000  
1 1 1 10 0  41  o 19.910  1.2500 0.000000       0.000000  
1 1 1 10 0  42  o 14.100  1.4880 -0.000000      0.000000  
1 1 1 10 0  43  o 39.860  1.6910 -0.000000      0.000000  
1 1 1 10 0  44  o 21.380  1.3100 0.000000       0.000000  
1 1 1 10 0  45  o 26.980  1.3890 0.000000       0.000000  
1 1 1 10 0  46  o 2.9060  2.0220 0.000000       0.000000  
1 1 1 10 0  47  o 17.240  1.5430 0.000000       0.000000  
1 1 1 10 0  48  o 4.2420  2.6340 -0.000000      0.000000  
1 1 1 10 0  49  o 18.650  1.5660 0.000000       0.000000  
1 1 1 10 0  50  o 22.680  1.4740 0.000000       0.000000  
1 1 1 10 0  51  o 15.660  1.8470 0.000000       0.000000  
1 1 1 10 0  52  o 5.2800  3.0820 0.000000       0.000000  
1 1 1 10 0  53  o 21.060  1.6190 0.000000       0.000000  
1 1 1 10 0  54  o 24.060  1.5920 0.000000       0.000000  
1 1 1 10 0  55  f 31.050  1.6380 0.000000       0.000000  
1 1 1 10 0  56  o 22.490  1.7280 0.000000       0.000000  
1 1 1 10 0  57  o 4.6200  2.9610 0.000000       0.000000  
1 1 1 10 0  58  o 32.360  1.7800 -0.000000      0.000000  
1 1 1 10 0  59  o 6.6880  3.5660 0.000000       0.000000  
1 1 1 10 0  60  o 28.490  1.7760 0.000000       0.000000  
1 1 1 10 0  61  o 7.6380  3.8520 0.000000       0.000000  
1 1 1 10 0  62  o 9.4440  4.0390 0.000000       0.000000  
1 1 1 10 0  63  o 4.7580  3.1840 0.000000       0.000000  
1 1 1 10 0  64  o 11.410  3.8740 -0.000000      0.000000  
1 1 1 10 0  65  f 4.9480  3.2530 0.000000       0.000000  
1 1 1 10 0  66  o 8.4160  4.2820 -0.000000      0.000000  
1 1 1 10 0  67  o 5.1190  3.3940 0.000000       0.000000  
1 1 1 10 0  68  o 11.770  4.5540 -0.000000      0.000000  
1 1 1 10 0  69  f 5.9460  3.8410 0.000000       0.000000  
1 1 1 10 0  70  o 7.9570  4.6460 -0.000000      0.000000  
1 1 1 10 0  71  o 5.3290  3.6320 0.000000       0.000000  
1 1 1 10 0  72  o 5.9050  3.8030 0.000000       0.000000  
1 1 1 10 0  73  o 7.6150  4.4160 0.000000       0.000000  
1 1 1 10 0  74  o 9.0270  4.8290 0.000000       0.000000  
1 1 1 10 0  75  o 6.9640  4.3440 0.000000       0.000000  
1 1 1 10 0  76  o 7.2800  4.4100 0.000000       0.000000  
1 1 1 10 0  77  o 5.4130  3.6370 -0.000000      0.000000  
1 1 1 10 0  78  o 5.0820  3.4740 -0.000000      0.000000  
1 1 1 10 0  79  o 6.5070  4.0890 0.000000       0.000000  
1 1 1 10 0  80  o 10.050  4.8720 -0.000000      0.000000  
1 1 1 10 0  81  o 5.8990  3.8300 -0.000000      0.000000  
1 1 1 10 0  82  o 10.980  4.8980 0.000000       0.000000  
1 1 1 10 0  83  o 5.9220  3.8190 0.000000       0.000000  
1 1 1 10 0  84  o 6.6470  3.9910 0.000000       0.000000  
1 1 1 10 0  85  o 6.1820  3.7830 -0.000000      0.000000  
1 1 1 10 0  86  o 4.7260  3.2010 -0.000000      0.000000  
1 1 1 10 0  87  o 5.7890  3.6710 -0.000000      0.000000  
1 1 1 10 0  88  o 5.1810  3.4310 0.000000       0.000000  
1 1 1 10 0  89  o 4.8810  3.2960 -0.000000      0.000000  
1 1 1 10 0  90  o 3.7830  2.6610 -0.000000      0.000000  
1 1 1 10 0  91  o 5.0610  3.3580 0.000000       0.000000  
1 1 1 10 0  92  o 3.7740  2.6740 0.000000       0.000000  
1 1 1 10 0  93  f 3.2800  2.2970 -0.000000      0.000000  
1 1 1 10 1  0   o 8.1520  0.6418 0.000000       0.000000  
1 1 1 10 1  1   o 20.790  0.6065 -1.186000      1.213000  
1 1 1 10 1  2   o 43.050  1.7050 ?              ?         
1 1 1 10 1  3   o 29.660  0.8324 -0.6201000     1.665000  
1 1 1 10 1  4   o 28.080  0.7899 0.8328000      1.580000  
1 1 1 10 1  5   o 18.790  0.5424 -1.488000      1.085000  
1 1 1 10 1  6   o 34.470  0.9674 2.221000       1.935000  
1 1 1 10 1  7   o 51.660  1.2420 3.627000       2.484000  
1 1 1 10 1  8   o 36.800  0.9004 -2.181000      1.801000  
1 1 1 10 1  9   o 14.680  0.4547 -4.965000      0.9094000 
1 1 1 10 1  10  f 32.120  0.8989 2.061000       1.798000  
1 1 1 10 1  11  o 17.440  0.5207 0.4989000      1.041000  
1 1 1 10 1  12  o 43.380  1.7150 ?              ?         
1 1 1 10 1  13  o 14.940  0.6427 ?              ?         
1 1 1 10 1  14  o 46.620  1.8440 ?              ?         
1 1 1 10 1  15  o 27.360  1.0880 ?              ?         
1 1 1 10 1  16  o 21.460  0.8702 ?              ?         
1 1 1 10 1  17  o 49.360  1.9580 ?              ?         
1 1 1 10 1  18  o 20.010  0.8375 ?              ?         
1 1 1 10 1  19  o 26.770  0.6616 -0.4758000     1.323000  
1 1 1 10 1  20  o 29.680  0.7287 -0.8083000     1.457000  
1 1 1 10 1  21  o 32.940  0.8153 1.238000       1.631000  
1 1 1 10 1  22  o 13.580  0.4744 -0.4153000     0.9488000 
1 1 1 10 1  23  f 15.880  0.5035 -1.797000      1.007000  
1 1 1 10 1  24  f 54.910  1.3240 -2.233000      2.649000  
1 1 1 10 1  25  o 15.560  0.5353 1.530000       1.071000  
1 1 1 10 1  26  o 44.410  1.0830 -1.868000      2.165000  
1 1 1 10 1  27  o 36.000  0.8959 -0.3040000     1.792000  
1 1 1 10 1  28  o 34.180  0.8631 -1.001000      1.726000  
1 1 1 10 1  29  o 70.060  1.9870 2.013000       3.974000  
1 1 1 10 1  30  o 26.550  0.8324 0.9069000      1.665000  
1 1 1 10 1  31  o 49.980  1.4170 2.618000       2.833000  
1 1 1 10 1  32  o 9.2410  1.0920 1.162000       2.183000  
1 1 1 10 1  33  o 37.300  1.0890 0.2359000      2.179000  
1 1 1 10 1  34  o 33.260  0.9972 0.1984000E-02  1.994000  
1 1 1 10 1  35  o 41.550  1.2040 -0.3299000     2.409000  
1 1 1 10 1  36  o 37.660  1.1100 -0.2099000     2.221000  
1 1 1 10 1  37  o 34.170  1.0300 1.013000       2.060000  
1 1 1 10 1  38  f 22.840  0.8506 -0.1626000     1.701000  
1 1 1 10 1  39  o 29.270  0.9401 -0.1331000E-01 1.880000  
1 1 1 10 1  40  o 44.380  1.2910 -0.2439000     2.582000  
1 1 1 10 1  41  o 29.670  0.9842 0.4457000      1.968000  
1 1 1 10 1  42  o 63.930  1.8290 -0.2169000     3.658000  
1 1 1 10 1  43  f 44.780  1.3160 -0.5066000     2.632000  
1 1 1 10 1  44  o 14.620  1.1610 2.861000       2.322000  
1 1 1 10 1  45  o 47.760  1.3990 -0.6683000     2.799000  
1 1 1 10 1  46  o 27.790  1.0180 -0.2709000     2.035000  
1 1 1 10 1  47  o 15.250  1.1980 -3.407000      2.396000  
1 1 1 10 1  48  o 52.620  1.5330 -0.9795000     3.067000  
1 1 1 10 1  49  o 34.340  1.1310 -1.485000      2.263000  
1 1 1 10 1  50  o 24.940  1.0510 -0.3563000     2.101000  
1 1 1 10 1  51  o 48.220  1.4460 -0.7083000     2.892000  
1 1 1 10 1  52  o 29.000  1.1030 0.1242000      2.205000  
1 1 1 10 1  53  o 13.100  1.6730 -2.261000      3.346000  
1 1 1 10 1  54  o 9.9550  1.9340 -0.7206000     3.869000  
1 1 1 10 1  55  o 28.530  1.1490 0.2440000      2.299000  
1 1 1 10 1  56  o 41.060  1.3300 1.090000       2.659000  
1 1 1 10 1  57  o 8.5400  2.1030 2.281000       4.207000  
1 1 1 10 1  58  o 9.0140  2.1420 0.4435000      4.285000  
1 1 1 10 1  59  o 6.8760  2.0540 -1.529000      4.108000  
1 1 1 10 1  60  o 27.300  1.2730 -0.4445000     2.547000  
1 1 1 10 1  61  o 23.640  1.3500 -2.757000      2.700000  
1 1 1 10 1  62  o 8.8590  2.3250 2.142000       4.650000  
1 1 1 10 1  63  o 28.740  1.4000 2.028000       2.800000  
1 1 1 10 1  64  o 17.560  1.8290 -0.8339000     3.659000  
1 1 1 10 1  65  o 13.520  2.3320 1.854000       4.663000  
1 1 1 10 1  66  f 7.1580  2.2450 -0.8973000     4.489000  
1 1 1 10 1  67  o 9.8740  2.5570 -2.710000      5.114000  
1 1 1 10 1  68  o 9.2250  2.5520 1.133000       5.104000  
1 1 1 10 1  69  o 8.9110  2.5750 1.306000       5.149000  
1 1 1 10 1  70  o 7.0760  2.3090 1.934000       4.618000  
1 1 1 10 1  71  o 8.9500  2.6200 1.987000       5.240000  
1 1 1 10 1  72  o 9.5830  2.6360 -5.429000      5.271000  
1 1 1 10 1  73  o 9.8260  2.7750 1.405000       5.550000  
1 1 1 10 1  74  o 9.2130  2.7520 -0.5117000     5.503000  
1 1 1 10 1  75  o 7.6710  2.4880 -0.3352000     4.977000  
1 1 1 10 1  76  o 8.9050  2.6730 -2.768000      5.347000  
1 1 1 10 1  77  o 7.9470  2.4720 3.011000       4.943000  
1 1 1 10 1  78  o 7.1870  2.3270 -2.344000      4.653000  
1 1 1 10 1  79  o 8.7340  2.6120 -1.871000      5.225000  
1 1 1 10 1  80  f 8.1750  2.5430 -0.5506000     5.086000  
1 1 1 10 1  81  o 5.9460  2.0510 -0.3646000E-01 4.102000  
1 1 1 10 1  82  o 6.8810  2.2880 1.008000       4.576000  
1 1 1 10 1  83  o 6.4330  2.1740 0.2192000      4.348000  
1 1 1 10 1  84  o 6.5030  2.1540 1.322000       4.307000  
1 1 1 10 1  85  o 6.6300  2.1570 -2.352000      4.314000  
1 1 1 10 1  86  f 6.4010  2.1210 -0.4392000     4.242000  
1 1 1 10 1  87  o 6.3260  2.0960 -1.146000      4.192000  
1 1 1 10 1  88  o 6.4220  2.1430 0.9567000      4.286000  
1 1 1 10 1  89  o 4.6640  1.6590 0.2798000      3.317000  
1 1 1 10 1  90  o 5.3260  1.8400 1.142000       3.679000  
1 1 1 10 1  91  o 4.4640  1.5810 -0.2789000     3.162000  
1 1 1 10 1  92  o 4.9580  1.7160 0.9229000E-01  3.432000  
1 1 1 10 1  93  o 4.4610  1.5160 -0.6486000     3.033000  
1 1 1 10 1  94  o 3.5070  1.7510 ?              ?         
1 1 1 10 2  0   o 7.4410  0.5542 0.000000       0.000000  
1 1 1 10 2  1   o 32.720  0.8008 -0.7088000     1.602000  
1 1 1 10 2  2   o 4.8590  0.9036 ?              ?         
1 1 1 10 2  3   o 19.730  0.5056 0.1396000      1.011000  
1 1 1 10 2  4   o 21.130  0.5292 1.070000       1.058000  
1 1 1 10 2  5   o 16.800  0.4420 -0.2843000     0.8840000 
1 1 1 10 2  6   o 39.530  1.1060 4.612000       2.213000  
1 1 1 10 2  7   o 51.790  1.4510 1.743000       2.902000  
1 1 1 10 2  8   o 21.010  0.6176 -8.645000      1.235000  
1 1 1 10 2  9   o 26.230  0.7418 2.696000       1.484000  
1 1 1 10 2  10  o 21.930  0.6301 -0.8139000     1.260000  
1 1 1 10 2  11  o 26.230  0.7435 1.482000       1.487000  
1 1 1 10 2  12  o 16.920  0.5205 1.123000       1.041000  
1 1 1 10 2  13  o 8.3380  0.4933 0.8531000      0.9866000 
1 1 1 10 2  14  o 21.930  0.6395 -0.9082000     1.279000  
1 1 1 10 2  15  o 22.350  0.9042 ?              ?         
1 1 1 10 2  16  f 16.350  0.7119 ?              ?         
1 1 1 10 2  17  o 6.5420  0.7729 2.970000       1.546000  
1 1 1 10 2  18  o 22.070  0.9076 ?              ?         
1 1 1 10 2  19  o 11.680  0.6874 ?              ?         
1 1 1 10 2  20  o 19.320  0.5159 -2.165000      1.032000  
1 1 1 10 2  21  o 22.910  0.5922 -0.2999000     1.184000  
1 1 1 10 2  22  o 6.8010  0.6771 -0.7707000     1.354000  
1 1 1 10 2  23  o 20.570  0.5613 -1.037000      1.123000  
1 1 1 10 2  24  o 29.930  0.7465 -1.315000      1.493000  
1 1 1 10 2  25  o 36.570  0.9056 0.4528000      1.811000  
1 1 1 10 2  26  o 34.270  0.8599 1.303000       1.720000  
1 1 1 10 2  27  o 37.370  0.9308 1.631000       1.862000  
1 1 1 10 2  28  o 13.310  0.6069 0.7507000      1.214000  
1 1 1 10 2  29  o 13.130  0.6421 -0.8740000     1.284000  
1 1 1 10 2  30  o 21.460  0.6498 1.841000       1.300000  
1 1 1 10 2  31  o 36.930  0.9316 0.8539000      1.863000  
1 1 1 10 2  32  o 54.550  1.3270 -1.915000      2.654000  
1 1 1 10 2  33  o 63.420  1.5540 0.5712000      3.109000  
1 1 1 10 2  34  o 31.800  0.8415 1.098000       1.683000  
1 1 1 10 2  35  o 14.490  0.7507 1.083000       1.501000  
1 1 1 10 2  36  o 19.470  0.8083 0.5741000      1.617000  
1 1 1 10 2  37  o 29.010  0.9179 1.905000       1.836000  
1 1 1 10 2  38  o 31.610  0.9788 -0.9307000E-01 1.958000  
1 1 1 10 2  39  o 11.600  1.0870 0.9277000      2.173000  
1 1 1 10 2  40  o 33.030  1.0190 0.4211000      2.038000  
1 1 1 10 2  41  o 58.820  2.3720 ?              ?         
1 1 1 10 2  42  o 25.750  1.3250 ?              ?         
1 1 1 10 2  43  o 7.7680  2.2890 ?              ?         
1 1 1 10 2  44  o 56.910  2.3130 ?              ?         
1 1 1 10 2  45  o 37.210  1.6180 ?              ?         
1 1 1 10 2  46  o 9.9160  2.2510 ?              ?         
1 1 1 10 2  47  o 51.400  2.1200 ?              ?         
1 1 1 10 2  48  o 13.210  1.9460 ?              ?         
1 1 1 10 2  49  f 23.500  1.4450 ?              ?         
1 1 1 10 2  50  o 19.440  1.5620 ?              ?         
1 1 1 10 2  51  o 52.760  2.2020 ?              ?         
1 1 1 10 2  52  o 29.380  1.5870 ?              ?         
1 1 1 10 2  53  o 33.640  1.6570 ?              ?         
1 1 1 10 2  54  o 11.230  2.5890 ?              ?         
1 1 1 10 2  55  o 22.400  1.7050 ?              ?         
1 1 1 10 2  56  o 34.990  1.7290 ?              ?         
1 1 1 10 2  57  o 11.470  2.9910 ?              ?         
1 1 1 10 2  58  o 12.130  2.9180 ?              ?         
1 1 1 10 2  59  o 27.730  1.8210 ?              ?         
1 1 1 10 2  60  o 21.790  2.0040 ?              ?         
1 1 1 10 2  61  o 27.520  1.9580 ?              ?         
1 1 1 10 2  62  o 8.4820  3.2620 ?              ?         
1 1 1 10 2  63  o 10.980  3.4280 ?              ?         
1 1 1 10 2  64  f 16.540  2.4610 ?              ?         
1 1 1 10 2  65  o 12.290  3.4690 ?              ?         
1 1 1 10 2  66  o 17.310  2.9800 ?              ?         
1 1 1 10 2  67  o 7.4490  3.2080 ?              ?         
1 1 1 10 2  68  o 6.5430  3.0650 ?              ?         
1 1 1 10 2  69  o 13.470  3.8290 ?              ?         
1 1 1 10 2  70  o 14.600  3.5770 ?              ?         
1 1 1 10 2  71  o 8.8070  3.4870 ?              ?         
1 1 1 10 2  72  o 6.5400  3.0560 ?              ?         
1 1 1 10 2  73  o 11.240  3.9490 ?              ?         
1 1 1 10 2  74  o 6.9450  3.2450 ?              ?         
1 1 1 10 2  75  o 10.130  3.8260 ?              ?         
1 1 1 10 2  76  o 7.2650  3.3040 ?              ?         
1 1 1 10 2  77  o 6.8940  3.2190 ?              ?         
1 1 1 10 2  78  o 8.9730  3.8080 ?              ?         
1 1 1 10 2  79  o 6.1510  2.9940 ?              ?         
1 1 1 10 2  80  o 8.6540  3.7520 ?              ?         
1 1 1 10 2  81  o 7.4460  2.3810 0.6007000      4.762000  
1 1 1 10 2  82  o 7.3500  2.3830 1.532000       4.766000  
1 1 1 10 2  83  o 7.9460  2.4610 -0.8952000E-01 4.921000  
1 1 1 10 2  84  o 8.9370  2.4390 -4.385000      4.878000  
1 1 1 10 2  85  o 5.1660  1.7950 -0.2476000     3.589000  
1 1 1 10 2  86  o 5.6020  1.9080 -0.3691000     3.815000  
1 1 1 10 2  87  o 5.5080  1.8930 0.5156000      3.786000  
1 1 1 10 2  88  o 5.6910  1.9420 0.5433000      3.883000  
1 1 1 10 2  89  o 6.5050  2.1540 1.144000       4.308000  
1 1 1 10 2  90  o 5.0400  1.7530 0.5526000E-02  3.507000  
1 1 1 10 2  91  o 4.4890  1.5950 0.6263000      3.189000  
1 1 1 10 2  92  o 3.8590  1.3810 0.1322000      2.763000  
1 1 1 10 2  93  o 3.7100  1.3020 0.6907000      2.604000  
1 1 1 10 3  0   o 45.720  1.2740 0.000000       0.000000  
1 1 1 10 3  2   o 30.830  0.6164 -0.9324000E-01 1.233000  
1 1 1 10 3  3   f 45.100  0.8069 1.985000       1.614000  
1 1 1 10 3  4   o 49.070  0.8796 0.9921000      1.759000  
1 1 1 10 3  5   o 37.650  0.6866 -2.502000      1.373000  
1 1 1 10 3  6   o 56.230  1.0120 1.744000       2.024000  
1 1 1 10 3  7   o 35.420  1.0010 ?              ?         
1 1 1 10 3  8   o 18.200  0.7703 ?              ?         
1 1 1 10 3  9   o 14.360  0.4382 2.058000       0.8764000 
1 1 1 10 3  10  o 36.430  1.4430 ?              ?         
1 1 1 10 3  11  o 17.890  0.7612 ?              ?         
1 1 1 10 3  12  o 23.730  0.5977 -0.4718000     1.195000  
1 1 1 10 3  13  o 18.950  0.5133 0.8559000      1.027000  
1 1 1 10 3  14  o 18.230  0.4889 -1.968000      0.9778000 
1 1 1 10 3  15  o 15.250  0.6772 26.36000       1.354000  
1 1 1 10 3  16  f 41.230  1.6320 ?              ?         
1 1 1 10 3  17  o 29.140  1.1650 ?              ?         
1 1 1 10 3  18  o 26.190  1.0600 ?              ?         
1 1 1 10 3  19  o 30.570  0.8792 0.2070000      1.758000  
1 1 1 10 3  20  o 28.290  0.8234 0.5893000      1.647000  
1 1 1 10 3  21  o 41.970  1.1870 -0.9750000E-01 2.374000  
1 1 1 10 3  22  o 29.450  0.8607 -1.034000      1.721000  
1 1 1 10 3  23  o 58.150  1.6440 -2.716000      3.289000  
1 1 1 10 3  24  o 27.670  0.8408 7.065000       1.682000  
1 1 1 10 3  25  o 52.680  1.4940 -2.547000      2.987000  
1 1 1 10 3  26  o 10.170  1.0170 10.38000       2.034000  
1 1 1 10 3  27  o 27.140  0.8307 -0.3568000     1.661000  
1 1 1 10 3  28  o 9.9510  0.9676 3.930000       1.935000  
1 1 1 10 3  29  o 13.880  0.7540 -2.379000      1.508000  
1 1 1 10 3  30  o 10.990  0.8586 0.3369000      1.717000  
1 1 1 10 3  31  o 32.000  0.9599 -1.213000      1.920000  
1 1 1 10 3  32  f 8.0900  1.2240 1.748000       2.448000  
1 1 1 10 3  33  o 51.310  1.4630 0.7929000      2.927000  
1 1 1 10 3  34  o 37.580  1.1090 2.785000       2.218000  
1 1 1 10 3  35  o 30.280  0.9473 1.775000       1.895000  
1 1 1 10 3  36  o 34.340  1.0400 -0.6208000     2.081000  
1 1 1 10 3  37  o 46.590  1.3470 -1.689000      2.694000  
1 1 1 10 3  38  o 22.590  0.8927 0.7366000      1.785000  
1 1 1 10 3  39  o 57.330  1.6370 -0.7428000E-01 3.274000  
1 1 1 10 3  40  o 9.2990  1.4670 3.842000       2.933000  
1 1 1 10 3  41  o 17.610  0.9538 -1.185000      1.908000  
1 1 1 10 3  42  o 33.020  1.0570 0.5203000      2.114000  
1 1 1 10 3  43  o 5.3850  2.2110 ?              ?         
1 1 1 10 3  44  o 19.930  1.3190 ?              ?         
1 1 1 10 3  45  o 12.130  1.7490 ?              ?         
1 1 1 10 3  46  o 35.820  1.5970 ?              ?         
1 1 1 10 3  47  o 18.330  1.5270 ?              ?         
1 1 1 10 3  48  o 20.650  1.4970 ?              ?         
1 1 1 10 3  49  o 6.3870  2.5580 ?              ?         
1 1 1 10 3  50  o 37.030  1.6910 ?              ?         
1 1 1 10 3  51  o 41.900  1.8360 ?              ?         
1 1 1 10 3  52  o 12.160  2.3590 ?              ?         
1 1 1 10 3  53  o 8.3450  2.8120 ?              ?         
1 1 1 10 3  54  o 22.660  1.6330 ?              ?         
1 1 1 10 3  55  o 19.350  1.8860 ?              ?         
1 1 1 10 3  56  o 24.500  1.7010 ?              ?         
1 1 1 10 3  57  o 12.170  2.8660 ?              ?         
1 1 1 10 3  58  o 12.050  2.6650 ?              ?         
1 1 1 10 3  59  o 16.990  2.3480 ?              ?         
1 1 1 10 3  60  o 11.160  3.1290 ?              ?         
1 1 1 10 3  61  o 10.560  3.3490 ?              ?         
1 1 1 10 3  62  o 9.0100  3.3370 ?              ?         
1 1 1 10 3  63  o 6.5210  2.9570 ?              ?         
1 1 1 10 3  64  o 13.720  3.1690 ?              ?         
1 1 1 10 3  65  o 8.6710  3.4670 ?              ?         
1 1 1 10 3  66  o 10.600  3.5520 ?              ?         
1 1 1 10 3  67  o 9.4680  3.7360 ?              ?         
1 1 1 10 3  68  o 9.3390  3.7610 ?              ?         
1 1 1 10 3  69  o 7.4940  3.2880 ?              ?         
1 1 1 10 3  70  o 6.9060  3.1750 ?              ?         
1 1 1 10 3  71  o 8.3900  3.5740 ?              ?         
1 1 1 10 3  72  o 8.7750  3.5070 ?              ?         
1 1 1 10 3  73  o 11.080  4.0280 ?              ?         
1 1 1 10 3  74  o 9.1470  3.8120 ?              ?         
1 1 1 10 3  75  o 10.320  3.9980 ?              ?         
1 1 1 10 3  76  o 7.7520  3.3810 ?              ?         
1 1 1 10 3  77  o 6.1850  2.9700 ?              ?         
1 1 1 10 3  78  o 10.770  3.9430 ?              ?         
1 1 1 10 3  79  o 6.1700  2.9800 ?              ?         
1 1 1 10 3  80  o 8.4680  3.6280 ?              ?         
1 1 1 10 3  81  o 7.0750  3.3030 ?              ?         
1 1 1 10 3  82  o 6.7750  3.2440 ?              ?         
1 1 1 10 3  83  o 6.1240  2.9780 ?              ?         
1 1 1 10 3  84  o 6.2770  3.0090 ?              ?         
1 1 1 10 3  85  o 6.0430  2.9240 ?              ?         
1 1 1 10 3  86  o 5.9480  2.8350 ?              ?         
1 1 1 10 3  87  o 6.5680  3.0990 ?              ?         
1 1 1 10 3  88  o 4.6870  2.3670 ?              ?         
1 1 1 10 3  89  o 5.9290  2.8390 ?              ?         
1 1 1 10 3  90  o 4.3060  2.1750 ?              ?         
1 1 1 10 3  91  o 7.9420  3.3790 ?              ?         
1 1 1 10 3  92  o 3.7270  1.8950 ?              ?         
1 1 1 10 3  93  o 3.5690  1.7960 ?              ?         
1 1 1 10 4  0   o 34.080  0.7818 0.000000       0.000000  
1 1 1 10 4  1   o 12.560  0.3304 -1.851000      0.6608000 
1 1 1 10 4  2   o 7.1070  0.3904 -1.123000      0.7807000 
1 1 1 10 4  3   o 11.850  0.3249 0.4122000      0.6498000 
1 1 1 10 4  4   o 22.630  0.4307 0.4836000      0.8615000 
1 1 1 10 4  5   o 22.110  0.4236 -0.4619000     0.8471000 
1 1 1 10 4  6   o 48.330  0.7794 2.159000       1.559000  
1 1 1 10 4  8   o 54.060  0.9735 2.209000       1.947000  
1 1 1 10 4  9   o 62.740  1.1350 -0.1889000     2.270000  
1 1 1 10 4  10  o 18.810  0.8024 ?              ?         
1 1 1 10 4  11  o 21.390  0.5560 0.2821000      1.112000  
1 1 1 10 4  12  o 58.200  1.4100 -1.877000      2.820000  
1 1 1 10 4  13  o 52.380  1.2840 1.817000       2.568000  
1 1 1 10 4  14  o 52.950  1.2760 -2.648000      2.552000  
1 1 1 10 4  15  o 23.260  0.5980 6.563000       1.196000  
1 1 1 10 4  16  o 58.190  1.3980 -4.833000      2.795000  
1 1 1 10 4  17  o 31.450  0.7734 6.797000       1.547000  
1 1 1 10 4  18  o 21.350  0.5436 3.217000       1.087000  
1 1 1 10 4  19  o 38.580  0.8680 -3.569000      1.736000  
1 1 1 10 4  20  f 11.990  0.6412 7.736000       1.282000  
1 1 1 10 4  21  o 35.760  0.8743 -3.096000      1.749000  
1 1 1 10 4  22  o 29.390  0.7637 3.009000       1.527000  
1 1 1 10 4  23  o 18.670  0.5683 -1.133000      1.137000  
1 1 1 10 4  24  o 30.420  0.7800 0.1938000      1.560000  
1 1 1 10 4  25  o 13.620  0.6147 1.635000       1.229000  
1 1 1 10 4  26  o 7.2000  0.9550 -2.395000      1.910000  
1 1 1 10 4  27  o 47.380  1.1560 -1.912000      2.313000  
1 1 1 10 4  28  o 10.430  0.9559 8.100000       1.912000  
1 1 1 10 4  29  o 49.920  1.2150 -1.835000      2.429000  
1 1 1 10 4  30  f 37.220  0.9535 3.543000       1.907000  
1 1 1 10 4  31  o 30.040  0.7996 0.8563000      1.599000  
1 1 1 10 4  32  o 10.070  0.9081 1.364000       1.816000  
1 1 1 10 4  33  o 41.390  1.0410 1.046000       2.082000  
1 1 1 10 4  34  o 46.760  1.1560 -0.6619000     2.313000  
1 1 1 10 4  35  o 29.330  0.8170 2.045000       1.634000  
1 1 1 10 4  36  o 39.550  1.1600 0.2072000      2.320000  
1 1 1 10 4  37  o 30.870  0.9715 -1.347000      1.943000  
1 1 1 10 4  38  o 27.890  0.9298 0.8875000      1.860000  
1 1 1 10 4  39  o 28.070  0.9427 0.7052000      1.885000  
1 1 1 10 4  40  o 17.850  0.9477 0.8194000      1.895000  
1 1 1 10 4  41  o 15.860  1.0300 1.525000       2.060000  
1 1 1 10 4  42  o 46.310  1.3590 -1.753000      2.719000  
1 1 1 10 4  43  o 19.510  0.9687 1.541000       1.937000  
1 1 1 10 4  44  o 6.3230  1.6900 0.2219000      3.380000  
1 1 1 10 4  45  o 19.320  1.0230 -0.1278000     2.045000  
1 1 1 10 4  46  o 59.310  1.7260 1.024000       3.453000  
1 1 1 10 4  47  o 42.400  1.2940 2.893000       2.588000  
1 1 1 10 4  48  o 33.110  1.1180 3.417000       2.237000  
1 1 1 10 4  49  o 23.580  1.4470 ?              ?         
1 1 1 10 4  50  o 20.570  1.5370 ?              ?         
1 1 1 10 4  51  o 9.9020  2.6210 ?              ?         
1 1 1 10 4  52  o 23.820  1.5150 ?              ?         
1 1 1 10 4  53  o 23.730  1.6090 ?              ?         
1 1 1 10 4  54  o 17.200  1.8490 ?              ?         
1 1 1 10 4  55  o 28.390  1.6310 ?              ?         
1 1 1 10 4  56  o 26.670  1.6900 ?              ?         
1 1 1 10 4  57  o 27.340  1.7190 ?              ?         
1 1 1 10 4  58  o 15.000  2.4790 ?              ?         
1 1 1 10 4  59  o 18.740  2.1350 ?              ?         
1 1 1 10 4  60  o 8.5660  3.2110 ?              ?         
1 1 1 10 4  61  o 14.060  2.9650 ?              ?         
1 1 1 10 4  62  o 23.890  2.0590 ?              ?         
1 1 1 10 4  63  f 15.800  2.7760 ?              ?         
1 1 1 10 4  64  o 30.580  1.9830 ?              ?         
1 1 1 10 4  65  o 20.200  2.4610 ?              ?         
1 1 1 10 4  66  o 22.550  2.4610 ?              ?         
1 1 1 10 4  67  o 5.7740  2.7800 ?              ?         
1 1 1 10 4  68  o 13.870  3.6240 ?              ?         
1 1 1 10 4  69  o 8.8820  3.5980 ?              ?         
1 1 1 10 4  70  o 10.230  3.7620 ?              ?         
1 1 1 10 4  71  o 5.9150  2.8560 ?              ?         
1 1 1 10 4  72  o 7.4050  3.2340 ?              ?         
1 1 1 10 4  73  o 9.8700  3.8250 ?              ?         
1 1 1 10 4  74  o 8.8800  3.7300 ?              ?         
1 1 1 10 4  75  o 9.6190  3.6380 ?              ?         
1 1 1 10 4  76  o 7.3490  3.3210 ?              ?         
1 1 1 10 4  77  o 7.7070  3.4050 ?              ?         
1 1 1 10 4  78  o 5.6350  2.7690 ?              ?         
1 1 1 10 4  79  o 10.980  3.7870 ?              ?         
1 1 1 10 4  80  o 8.7690  3.8090 ?              ?         
1 1 1 10 4  81  o 12.430  4.3290 ?              ?         
1 1 1 10 4  82  o 5.9950  2.9540 ?              ?         
1 1 1 10 4  83  o 7.3400  3.2830 ?              ?         
1 1 1 10 4  84  o 6.0860  2.9230 ?              ?         
1 1 1 10 4  85  o 6.4740  3.0830 ?              ?         
1 1 1 10 4  86  o 6.2030  2.1010 -0.4206000     4.202000  
1 1 1 10 4  87  o 5.5900  1.9550 1.099000       3.910000  
1 1 1 10 4  88  o 5.3070  1.8510 0.2702000      3.702000  
1 1 1 10 4  89  o 4.7680  1.6860 -0.4536000E-01 3.372000  
1 1 1 10 4  90  o 4.9110  1.7190 0.2178000      3.437000  
1 1 1 10 4  91  o 4.9150  1.7200 0.7528000      3.440000  
1 1 1 10 4  92  o 3.9020  1.3830 0.2741000      2.765000  
1 1 1 10 4  93  o 4.5890  2.2000 ?              ?         
1 1 1 10 5  0   f 9.1260  0.4032 -0.000000      0.000000  
1 1 1 10 5  1   o 15.200  0.2653 0.1161000      0.5305000 
1 1 1 10 5  2   o 31.660  0.4483 -0.7686000E-01 0.8965000 
1 1 1 10 5  3   o 25.120  0.3980 -1.622000      0.7961000 
1 1 1 10 5  4   o 53.100  0.7969 0.9658000      1.594000  
1 1 1 10 5  5   o 18.010  0.4538 ?              ?         
1 1 1 10 5  6   o 16.220  0.3336 -2.370000      0.6671000 
1 1 1 10 5  7   o 26.090  0.4889 1.403000       0.9777000 
1 1 1 10 5  8   f 7.4940  0.4370 1.472000       0.8739000 
1 1 1 10 5  9   o 17.540  0.3281 1.555000       0.6562000 
1 1 1 10 5  10  o 37.750  0.6835 1.263000       1.367000  
1 1 1 10 5  11  o 64.520  1.0390 -1.988000      2.078000  
1 1 1 10 5  13  o 9.6880  0.4088 -0.1133000     0.8175000 
1 1 1 10 5  14  o 36.900  0.8330 -2.806000      1.666000  
1 1 1 10 5  15  o 44.580  1.0050 -2.766000      2.010000  
1 1 1 10 5  16  o 32.790  0.7956 5.770000       1.591000  
1 1 1 10 5  17  o 35.380  0.8153 -0.4423000     1.631000  
1 1 1 10 5  18  f 40.200  0.9199 -0.6433000     1.840000  
1 1 1 10 5  19  o 16.850  0.4927 6.106000       0.9854000 
1 1 1 10 5  20  o 24.270  0.5756 -3.571000      1.151000  
1 1 1 10 5  21  o 41.730  0.9517 -1.967000      1.903000  
1 1 1 10 5  22  o 22.920  0.5874 2.270000       1.175000  
1 1 1 10 5  23  o 39.770  0.9729 -2.224000      1.946000  
1 1 1 10 5  24  o 35.300  0.8788 -0.8435000     1.758000  
1 1 1 10 5  25  o 39.360  0.9646 -2.685000      1.929000  
1 1 1 10 5  26  o 26.780  0.7364 3.523000       1.473000  
1 1 1 10 5  27  o 55.640  1.3350 -5.693000      2.670000  
1 1 1 10 5  28  o 30.830  0.8154 3.282000       1.631000  
1 1 1 10 5  29  o 26.100  0.7174 -1.227000      1.435000  
1 1 1 10 5  30  o 65.800  1.5970 -2.906000      3.193000  
1 1 1 10 5  31  o 28.260  0.8116 8.544000       1.623000  
1 1 1 10 5  32  o 72.340  1.7510 -3.552000      3.501000  
1 1 1 10 5  33  o 32.320  0.8971 9.366000       1.794000  
1 1 1 10 5  34  o 25.900  0.7591 2.666000       1.518000  
1 1 1 10 5  35  o 26.530  0.7693 0.2036000E-01  1.539000  
1 1 1 10 5  36  o 24.880  0.7566 0.5684000E-03  1.513000  
1 1 1 10 5  37  o 35.060  0.9230 0.1832000      1.846000  
1 1 1 10 5  38  o 33.320  0.8971 0.1817000      1.794000  
1 1 1 10 5  39  f 23.330  0.7829 0.6362000      1.566000  
1 1 1 10 5  40  o 13.110  0.9374 -1.518000      1.875000  
1 1 1 10 5  41  o 27.690  0.8296 -2.284000      1.659000  
1 1 1 10 5  42  f 36.390  0.9722 -1.552000      1.944000  
1 1 1 10 5  43  o 24.070  0.8222 0.7243000      1.644000  
1 1 1 10 5  44  o 17.640  0.8908 0.3297000      1.782000  
1 1 1 10 5  45  o 41.020  1.0760 -1.225000      2.153000  
1 1 1 10 5  46  o 25.540  1.1390 ?              ?         
1 1 1 10 5  47  o 21.030  0.9158 0.2479000      1.832000  
1 1 1 10 5  48  o 28.740  0.9299 1.943000       1.860000  
1 1 1 10 5  49  o 11.140  1.4460 -1.971000      2.893000  
1 1 1 10 5  50  o 14.600  1.2360 -2.835000      2.471000  
1 1 1 10 5  51  o 26.440  0.9892 1.523000       1.978000  
1 1 1 10 5  52  o 28.320  1.0030 -0.3983000     2.007000  
1 1 1 10 5  53  o 22.360  1.0220 -0.5187000     2.044000  
1 1 1 10 5  54  o 42.370  1.1790 2.066000       2.358000  
1 1 1 10 5  55  o 13.470  2.0020 -0.8082000     4.004000  
1 1 1 10 5  56  o 21.060  1.4320 -2.138000      2.865000  
1 1 1 10 5  57  o 25.130  1.3700 0.1551000      2.741000  
1 1 1 10 5  58  o 22.590  1.4740 -1.184000      2.948000  
1 1 1 10 5  59  o 29.970  1.3730 -1.514000      2.746000  
1 1 1 10 5  60  o 27.640  1.4500 0.7962000      2.900000  
1 1 1 10 5  61  o 13.730  2.3680 -5.928000      4.735000  
1 1 1 10 5  62  f 10.470  2.5470 -3.491000      5.095000  
1 1 1 10 5  63  o 21.880  1.7590 -3.920000      3.517000  
1 1 1 10 5  64  o 29.340  1.5680 -3.976000      3.135000  
1 1 1 10 5  65  o 18.760  2.2410 2.587000       4.482000  
1 1 1 10 5  66  f 11.220  2.5260 4.986000       5.051000  
1 1 1 10 5  67  o 28.770  1.6500 -4.047000      3.299000  
1 1 1 10 5  68  o 11.560  2.6770 -6.239000      5.354000  
1 1 1 10 5  69  o 7.9440  2.4540 0.4270000      4.909000  
1 1 1 10 5  70  o 9.3500  2.6780 -0.6343000     5.357000  
1 1 1 10 5  71  o 8.9440  2.5660 2.447000       5.132000  
1 1 1 10 5  72  o 7.3160  2.3830 -4.003000      4.766000  
1 1 1 10 5  73  o 9.0250  2.6570 0.7415000      5.315000  
1 1 1 10 5  74  o 8.9600  2.6650 0.2845000E-01  5.330000  
1 1 1 10 5  75  o 7.3810  2.3370 2.645000       4.674000  
1 1 1 10 5  76  o 6.3950  2.1390 1.124000       4.277000  
1 1 1 10 5  77  o 6.3410  2.1290 -0.7915000E-01 4.257000  
1 1 1 10 5  78  f 7.2740  2.3510 -0.7299000     4.701000  
1 1 1 10 5  79  o 6.8480  2.2700 -0.4119000     4.540000  
1 1 1 10 5  80  o 7.0260  2.3360 0.5324000      4.672000  
1 1 1 10 5  81  o 6.3490  2.1650 0.1993000E-01  4.331000  
1 1 1 10 5  82  o 6.0180  2.0700 0.2193000      4.141000  
1 1 1 10 5  83  o 6.2580  2.1220 -0.2706000     4.244000  
1 1 1 10 5  84  o 5.4710  1.9000 -0.9314000     3.800000  
1 1 1 10 5  85  o 6.0590  2.0600 -1.795000      4.119000  
1 1 1 10 5  86  o 5.4040  1.8920 -0.8727000E-01 3.784000  
1 1 1 10 5  87  o 5.3930  1.8830 0.1860000      3.766000  
1 1 1 10 5  88  o 5.3470  1.8650 1.346000       3.730000  
1 1 1 10 5  89  o 5.1000  1.7660 -0.1319000     3.531000  
1 1 1 10 5  90  o 4.6940  1.6480 1.159000       3.295000  
1 1 1 10 5  91  o 5.1160  1.7590 -0.7553000     3.518000  
1 1 1 10 5  92  f 4.1140  1.4420 0.3016000      2.884000  
1 1 1 10 5  93  o 3.9540  1.9760 ?              ?         
1 1 1 10 6  0   o 30.240  0.6102 -0.000000      0.000000  
1 1 1 10 6  1   o 20.810  0.3211 -0.1977000     0.6421000 
1 1 1 10 6  2   o 16.100  0.2792 -0.5773000     0.5583000 
1 1 1 10 6  3   f 33.130  0.4700 -0.2444000E-01 0.9400000 
1 1 1 10 6  4   o 24.490  0.4768 -2.490000      0.9536000 
1 1 1 10 6  5   o 46.730  0.7031 1.148000       1.406000  
1 1 1 10 6  6   o 29.060  0.5431 -1.231000      1.086000  
1 1 1 10 6  7   o 58.150  0.8732 1.878000       1.746000  
1 1 1 10 6  8   o 22.460  0.4812 4.105000       0.9623000 
1 1 1 10 6  9   o 26.100  0.4132 -0.3780000     0.8264000 
1 1 1 10 6  10  o 38.010  0.5779 1.609000       1.156000  
1 1 1 10 6  11  o 28.490  0.4504 -1.404000      0.9009000 
1 1 1 10 6  12  o 12.250  0.3291 0.6252000      0.6583000 
1 1 1 10 6  13  f 35.090  0.5380 1.527000       1.076000  
1 1 1 10 6  14  o 14.170  0.7016 ?              ?         
1 1 1 10 6  15  o 42.980  0.7006 0.8503000      1.401000  
1 1 1 10 6  16  o 42.230  0.9782 1.513000       1.956000  
1 1 1 10 6  17  o 49.710  1.1250 -2.460000      2.250000  
1 1 1 10 6  18  o 21.450  0.6318 10.71000       1.264000  
1 1 1 10 6  19  o 16.850  0.4820 1.381000       0.9640000 
1 1 1 10 6  20  o 29.910  0.6976 -1.810000      1.395000  
1 1 1 10 6  21  o 51.510  1.1630 -3.304000      2.326000  
1 1 1 10 6  22  f 39.910  0.9242 0.4129000      1.848000  
1 1 1 10 6  23  o 28.630  0.7127 4.499000       1.425000  
1 1 1 10 6  24  o 21.910  0.5667 -0.5079000     1.133000  
1 1 1 10 6  25  o 17.730  0.5291 1.110000       1.058000  
1 1 1 10 6  26  o 46.500  1.1170 -6.485000      2.233000  
1 1 1 10 6  27  o 62.740  1.5200 -2.677000      3.040000  
1 1 1 10 6  28  o 32.950  0.8729 5.048000       1.746000  
1 1 1 10 6  29  o 42.020  1.0370 -2.064000      2.074000  
1 1 1 10 6  30  o 17.820  0.6571 1.206000       1.314000  
1 1 1 10 6  31  o 38.750  0.9615 -3.749000      1.923000  
1 1 1 10 6  32  o 29.990  0.8071 -0.1663000     1.614000  
1 1 1 10 6  33  o 12.000  0.8606 2.800000       1.721000  
1 1 1 10 6  34  o 51.100  1.2470 -2.866000      2.493000  
1 1 1 10 6  35  o 21.880  0.7236 2.340000       1.447000  
1 1 1 10 6  36  o 19.520  0.7103 -3.054000      1.421000  
1 1 1 10 6  37  o 7.4540  1.3490 0.8024000      2.698000  
1 1 1 10 6  38  o 40.940  1.0340 -3.192000      2.068000  
1 1 1 10 6  39  o 46.500  1.1740 0.6456000      2.347000  
1 1 1 10 6  40  o 24.400  0.8204 4.968000       1.641000  
1 1 1 10 6  41  o 32.070  0.9019 1.810000       1.804000  
1 1 1 10 6  42  o 46.310  1.1840 1.243000       2.367000  
1 1 1 10 6  43  o 14.550  0.9665 2.336000       1.933000  
1 1 1 10 6  44  o 5.6430  1.5590 -0.6326000     3.119000  
1 1 1 10 6  45  o 34.650  0.9677 0.9936000      1.935000  
1 1 1 10 6  46  o 12.820  1.1690 -0.1517000     2.339000  
1 1 1 10 6  47  o 12.920  1.2350 1.226000       2.470000  
1 1 1 10 6  48  o 12.460  1.3140 -3.048000      2.628000  
1 1 1 10 6  49  o 11.320  1.4970 -1.453000      2.993000  
1 1 1 10 6  50  o 5.9980  1.7110 -0.2401000     3.423000  
1 1 1 10 6  51  o 32.900  1.2300 ?              ?         
1 1 1 10 6  52  o 22.060  1.0340 -0.5647000     2.068000  
1 1 1 10 6  53  o 9.1480  1.8930 2.870000       3.786000  
1 1 1 10 6  54  o 25.260  1.0390 1.353000       2.078000  
1 1 1 10 6  55  o 24.880  1.0710 1.262000       2.141000  
1 1 1 10 6  56  o 21.950  1.1330 -0.7963000     2.266000  
1 1 1 10 6  57  o 25.670  1.0920 -1.228000      2.184000  
1 1 1 10 6  58  o 14.330  1.6480 0.8783000      3.295000  
1 1 1 10 6  59  o 12.530  1.9670 -2.088000      3.935000  
1 1 1 10 6  60  o 24.680  1.2410 -1.003000      2.483000  
1 1 1 10 6  61  o 24.470  1.4910 -1.961000      2.983000  
1 1 1 10 6  62  o 23.860  1.5420 -3.014000      3.085000  
1 1 1 10 6  63  o 16.740  2.2920 -1.752000      4.584000  
1 1 1 10 6  64  o 18.420  2.0920 -4.599000      4.184000  
1 1 1 10 6  65  o 6.8940  2.2400 -2.645000      4.480000  
1 1 1 10 6  66  o 15.640  2.4370 1.604000       4.874000  
1 1 1 10 6  67  o 6.7130  2.2120 -1.501000      4.424000  
1 1 1 10 6  68  o 7.7000  2.3260 2.262000       4.651000  
1 1 1 10 6  69  o 8.2220  2.4990 -1.875000      4.998000  
1 1 1 10 6  70  o 9.9730  2.5980 2.728000       5.195000  
1 1 1 10 6  71  o 7.0660  2.3210 -0.8230000     4.642000  
1 1 1 10 6  72  o 10.090  2.8230 -1.071000      5.647000  
1 1 1 10 6  73  o 6.7860  2.2860 -0.9851000     4.572000  
1 1 1 10 6  74  o 9.6320  2.7510 0.3934000      5.502000  
1 1 1 10 6  75  o 7.1950  2.3660 -1.827000      4.732000  
1 1 1 10 6  76  o 9.5170  2.6860 -1.060000      5.372000  
1 1 1 10 6  77  o 7.8060  2.3650 3.328000       4.730000  
1 1 1 10 6  78  o 6.0860  2.0880 0.2078000E-01  4.176000  
1 1 1 10 6  79  o 8.5070  2.6230 -2.477000      5.246000  
1 1 1 10 6  80  o 10.860  2.8480 -5.139000      5.696000  
1 1 1 10 6  81  o 8.9770  2.6850 -0.3107000     5.371000  
1 1 1 10 6  82  o 5.8550  2.0130 -0.7114000     4.027000  
1 1 1 10 6  83  o 6.2430  2.1050 -0.8254000     4.211000  
1 1 1 10 6  84  o 5.7520  1.9800 0.5166000E-01  3.961000  
1 1 1 10 6  85  o 6.6380  2.1940 -0.9922000     4.387000  
1 1 1 10 6  86  o 5.9910  2.0520 -1.002000      4.103000  
1 1 1 10 6  87  o 6.2920  2.1150 1.878000       4.230000  
1 1 1 10 6  88  o 5.5270  1.9070 0.4006000      3.814000  
1 1 1 10 6  89  o 4.9420  1.7250 -1.194000      3.450000  
1 1 1 10 6  90  o 4.7640  1.6670 -0.4488000     3.333000  
1 1 1 10 6  91  o 3.8320  1.3720 0.8071000      2.744000  
1 1 1 10 6  92  o 4.6420  2.2790 ?              ?         
1 1 1 10 7  0   o 54.100  1.0610 -0.000000      0.000000  
1 1 1 10 7  1   o 24.920  0.4461 2.455000       0.8923000 
1 1 1 10 7  2   o 45.050  0.6280 -1.039000      1.256000  
1 1 1 10 7  3   o 15.730  0.3131 0.7011000      0.6263000 
1 1 1 10 7  4   o 6.4820  0.4302 -1.232000      0.8604000 
1 1 1 10 7  5   o 55.720  0.8392 -1.924000      1.678000  
1 1 1 10 7  6   o 35.380  0.5404 1.309000       1.081000  
1 1 1 10 7  7   o 43.660  0.6579 0.8104000      1.316000  
1 1 1 10 7  8   o 41.000  0.6242 -1.889000      1.248000  
1 1 1 10 7  9   o 9.4310  0.4087 -0.4376000     0.8174000 
1 1 1 10 7  10  o 51.730  0.7771 2.255000       1.554000  
1 1 1 10 7  11  o 55.850  0.8362 1.681000       1.672000  
1 1 1 10 7  12  o 48.060  0.7249 0.2471000      1.450000  
1 1 1 10 7  13  o 39.710  0.6068 -0.7920000     1.214000  
1 1 1 10 7  14  o 23.050  0.3902 -1.143000      0.7805000 
1 1 1 10 7  15  o 8.3080  0.6010 -2.507000      1.202000  
1 1 1 10 7  16  o 15.870  0.3571 -0.3254000     0.7141000 
1 1 1 10 7  17  o 18.350  0.3800 -1.155000      0.7600000 
1 1 1 10 7  18  o 32.460  0.5477 0.3688000      1.095000  
1 1 1 10 7  19  o 43.180  0.7896 -1.769000      1.579000  
1 1 1 10 7  20  o 27.900  0.8554 ?              ?         
1 1 1 10 7  21  o 28.630  0.5651 -0.4245000E-01 1.130000  
1 1 1 10 7  22  o 32.510  0.6198 -0.3877000     1.240000  
1 1 1 10 7  23  o 23.390  0.6355 ?              ?         
1 1 1 10 7  24  o 42.410  0.9442 -6.740000      1.888000  
1 1 1 10 7  25  o 39.050  0.9402 5.263000       1.880000  
1 1 1 10 7  26  o 35.620  0.8236 -3.177000      1.647000  
1 1 1 10 7  27  o 27.480  0.6821 0.4770000      1.364000  
1 1 1 10 7  28  o 39.500  0.9037 -3.178000      1.807000  
1 1 1 10 7  29  o 25.270  0.7232 2.541000       1.446000  
1 1 1 10 7  30  o 23.850  0.6984 -0.4274000     1.397000  
1 1 1 10 7  31  o 47.210  1.1680 0.2864000      2.337000  
1 1 1 10 7  32  o 33.570  0.8829 2.461000       1.766000  
1 1 1 10 7  33  o 56.290  1.3570 -5.500000      2.715000  
1 1 1 10 7  34  o 16.690  0.9142 12.51000       1.828000  
1 1 1 10 7  35  o 27.370  0.7822 0.4351000      1.564000  
1 1 1 10 7  36  o 21.350  0.7249 -1.155000      1.450000  
1 1 1 10 7  37  f 16.440  0.7645 1.676000       1.529000  
1 1 1 10 7  38  o 36.700  0.9478 -2.941000      1.896000  
1 1 1 10 7  39  o 27.850  0.8412 3.337000       1.682000  
1 1 1 10 7  40  o 53.060  1.3220 0.6267000      2.644000  
1 1 1 10 7  41  o 34.040  0.9385 2.363000       1.877000  
1 1 1 10 7  42  o 11.780  1.1090 0.4585000      2.219000  
1 1 1 10 7  43  o 15.050  0.9605 -1.408000      1.921000  
1 1 1 10 7  44  o 21.810  0.8493 -0.8572000     1.699000  
1 1 1 10 7  45  o 24.790  0.8550 -1.622000      1.710000  
1 1 1 10 7  46  o 15.450  1.0320 -1.629000      2.063000  
1 1 1 10 7  47  o 39.220  1.0610 -0.4305000     2.122000  
1 1 1 10 7  48  o 46.390  1.2190 1.626000       2.438000  
1 1 1 10 7  49  o 10.880  1.5370 6.490000       3.074000  
1 1 1 10 7  50  f 27.320  0.9484 -1.354000      1.897000  
1 1 1 10 7  51  o 26.260  0.9594 0.1314000      1.919000  
1 1 1 10 7  52  o 10.200  1.7310 -1.839000      3.462000  
1 1 1 10 7  53  o 13.810  1.4080 1.043000       2.816000  
1 1 1 10 7  54  o 6.8180  1.8570 1.826000       3.713000  
1 1 1 10 7  55  o 11.430  1.8090 0.3018000E-01  3.619000  
1 1 1 10 7  56  o 8.8530  1.9640 0.5088000      3.928000  
1 1 1 10 7  57  o 19.370  1.6180 ?              ?         
1 1 1 10 7  58  o 21.610  1.2200 -1.422000      2.440000  
1 1 1 10 7  59  o 5.9950  1.8700 -1.497000      3.740000  
1 1 1 10 7  60  o 7.5880  2.1120 -0.2716000     4.224000  
1 1 1 10 7  61  o 20.430  1.4100 -1.570000      2.819000  
1 1 1 10 7  62  o 41.910  1.2680 -0.7899000     2.536000  
1 1 1 10 7  63  o 7.8490  2.1850 4.066000       4.371000  
1 1 1 10 7  64  o 24.390  1.3060 -4.951000      2.612000  
1 1 1 10 7  65  o 16.660  1.7570 -3.034000      3.515000  
1 1 1 10 7  66  o 9.5740  2.5400 0.9256000      5.080000  
1 1 1 10 7  67  o 9.4220  2.4240 2.303000       4.848000  
1 1 1 10 7  68  o 6.6530  2.1650 -0.7954000     4.329000  
1 1 1 10 7  69  o 8.0330  2.4020 -3.760000      4.803000  
1 1 1 10 7  70  o 7.3050  2.2800 -3.410000      4.559000  
1 1 1 10 7  71  o 6.2570  2.1100 -0.1689000E-01 4.220000  
1 1 1 10 7  72  o 10.460  2.7230 -2.609000      5.446000  
1 1 1 10 7  73  o 7.4590  2.4190 -1.995000      4.838000  
1 1 1 10 7  74  o 6.7180  2.2280 0.3973000      4.456000  
1 1 1 10 7  75  o 7.9550  2.5090 -0.9498000     5.017000  
1 1 1 10 7  76  o 9.5720  2.7250 0.2666000      5.449000  
1 1 1 10 7  77  o 7.5210  2.4110 -2.154000      4.822000  
1 1 1 10 7  78  o 8.0010  2.5170 -2.058000      5.034000  
1 1 1 10 7  79  o 6.0340  2.0730 -0.1735000E-01 4.146000  
1 1 1 10 7  80  o 7.1900  2.3520 -1.247000      4.704000  
1 1 1 10 7  81  o 6.1360  2.0820 -1.517000      4.164000  
1 1 1 10 7  82  o 5.5400  1.9000 0.7389000      3.799000  
1 1 1 10 7  83  o 6.2420  2.1080 -0.9757000     4.216000  
1 1 1 10 7  84  o 5.2420  1.8420 -0.7653000     3.684000  
1 1 1 10 7  85  o 5.0410  1.7860 -0.7989000     3.573000  
1 1 1 10 7  86  o 5.6940  1.9780 -0.7393000E-01 3.956000  
1 1 1 10 7  87  o 5.5390  1.9270 -0.9331000     3.853000  
1 1 1 10 7  88  o 5.9610  2.0240 0.3449000      4.049000  
1 1 1 10 7  89  o 4.7520  1.6790 -0.1953000     3.358000  
1 1 1 10 7  90  o 4.3650  1.5390 -0.6605000     3.077000  
1 1 1 10 7  91  o 4.2260  1.4670 -0.4080000     2.933000  
1 1 1 10 8  0   f 18.580  0.5046 -0.000000      0.000000  
1 1 1 10 8  1   o 32.930  0.4689 0.3780000      0.9378000 
1 1 1 10 8  2   f 31.050  0.4459 -0.6576000     0.8918000 
1 1 1 10 8  3   o 21.650  0.4430 -3.989000      0.8859000 
1 1 1 10 8  4   o 67.270  0.9325 0.5732000      1.865000  
1 1 1 10 8  5   o 16.560  0.4040 -0.9801000     0.8079000 
1 1 1 10 8  6   o 17.070  0.3056 -0.3115000     0.6113000 
1 1 1 10 8  7   o 14.000  0.3600 -0.1562000     0.7200000 
1 1 1 10 8  8   o 35.200  0.6406 3.100000       1.281000  
1 1 1 10 8  9   o 30.450  0.4777 -0.2504000     0.9554000 
1 1 1 10 8  10  o 15.840  0.3920 0.8385000      0.7841000 
1 1 1 10 8  11  o 13.990  0.3150 -0.4759000E-01 0.6300000 
1 1 1 10 8  12  o 18.980  0.3421 0.6441000      0.6842000 
1 1 1 10 8  13  o 28.620  0.4559 0.2970000      0.9117000 
1 1 1 10 8  14  o 20.190  0.3588 0.8497000      0.7177000 
1 1 1 10 8  15  o 31.380  0.4941 -0.8355000     0.9881000 
1 1 1 10 8  16  o 20.610  0.3701 0.6452000      0.7403000 
1 1 1 10 8  17  o 44.240  0.7225 0.7901000      1.445000  
1 1 1 10 8  18  f 32.770  0.6217 1.574000       1.243000  
1 1 1 10 8  19  o 62.100  0.9997 -0.1672000     1.999000  
1 1 1 10 8  20  o 28.830  0.6395 -0.9132000E-01 1.279000  
1 1 1 10 8  21  o 65.640  1.0600 -0.8781000     2.120000  
1 1 1 10 8  22  o 38.900  1.1230 ?              ?         
1 1 1 10 8  23  o 24.710  0.5230 0.1935000      1.046000  
1 1 1 10 8  24  o 7.7490  0.7183 6.081000       1.437000  
1 1 1 10 8  25  o 46.430  1.0760 ?              ?         
1 1 1 10 8  26  o 31.260  0.7776 ?              ?         
1 1 1 10 8  27  o 50.290  1.1620 ?              ?         
1 1 1 10 8  28  o 3.8650  1.3760 ?              ?         
1 1 1 10 8  29  o 12.620  0.5261 1.131000       1.052000  
1 1 1 10 8  30  o 25.720  0.5627 -0.7236000     1.125000  
1 1 1 10 8  31  o 28.930  0.7876 0.8179000      1.575000  
1 1 1 10 8  32  o 24.820  0.7489 3.124000       1.498000  
1 1 1 10 8  33  o 42.720  1.2610 -4.147000      2.521000  
1 1 1 10 8  34  o 26.190  0.7949 5.501000       1.590000  
1 1 1 10 8  35  o 51.050  1.2530 -2.339000      2.506000  
1 1 1 10 8  36  o 20.810  0.7967 7.468000       1.593000  
1 1 1 10 8  37  o 18.500  0.7809 -1.278000      1.562000  
1 1 1 10 8  38  o 52.160  1.2960 -0.9171000     2.593000  
1 1 1 10 8  39  o 39.310  1.0410 4.507000       2.082000  
1 1 1 10 8  40  o 9.5980  1.2880 7.231000       2.576000  
1 1 1 10 8  41  o 19.880  0.8049 -1.111000      1.610000  
1 1 1 10 8  42  o 23.990  0.8145 -2.577000      1.629000  
1 1 1 10 8  43  o 11.380  1.2530 2.963000       2.505000  
1 1 1 10 8  44  o 21.970  0.8578 -1.445000      1.716000  
1 1 1 10 8  45  o 29.430  0.8907 -1.791000      1.781000  
1 1 1 10 8  46  o 51.610  1.3260 0.7120000      2.652000  
1 1 1 10 8  47  o 39.280  1.0920 4.023000       2.185000  
1 1 1 10 8  48  o 9.5820  1.5710 -4.501000      3.143000  
1 1 1 10 8  49  o 6.6160  1.7470 -0.4166000     3.494000  
1 1 1 10 8  50  o 6.0350  1.7060 -0.7363000     3.411000  
1 1 1 10 8  51  f 13.390  1.3800 -0.3686000     2.760000  
1 1 1 10 8  52  o 22.920  1.0210 3.247000       2.043000  
1 1 1 10 8  53  o 29.460  1.0120 1.361000       2.024000  
1 1 1 10 8  54  o 28.190  1.0190 -0.6866000E-03 2.039000  
1 1 1 10 8  55  o 16.380  1.3310 -1.661000      2.662000  
1 1 1 10 8  56  o 16.590  1.3550 -1.243000      2.710000  
1 1 1 10 8  57  o 7.1740  1.9620 2.325000       3.924000  
1 1 1 10 8  58  o 23.230  1.1800 -3.282000      2.359000  
1 1 1 10 8  59  o 23.940  1.1990 1.194000       2.399000  
1 1 1 10 8  60  o 17.740  1.4660 0.2988000      2.933000  
1 1 1 10 8  61  o 20.070  1.3460 -2.236000      2.692000  
1 1 1 10 8  62  o 9.8910  2.1970 -2.179000      4.394000  
1 1 1 10 8  63  o 21.790  1.8280 ?              ?         
1 1 1 10 8  64  o 8.0750  2.2040 1.121000       4.408000  
1 1 1 10 8  65  o 20.500  1.4240 1.392000       2.848000  
1 1 1 10 8  66  o 9.1930  2.2720 -0.9746000     4.544000  
1 1 1 10 8  67  o 6.8600  2.0900 0.1669000      4.180000  
1 1 1 10 8  68  o 8.0860  2.2190 -0.2650000     4.437000  
1 1 1 10 8  69  o 7.1850  2.1140 2.916000       4.227000  
1 1 1 10 8  70  o 7.9240  2.3000 -0.5156000     4.600000  
1 1 1 10 8  71  o 9.4600  2.4100 4.501000       4.819000  
1 1 1 10 8  72  o 6.6650  2.2160 -1.744000      4.432000  
1 1 1 10 8  73  o 7.3290  2.3250 0.4326000      4.649000  
1 1 1 10 8  74  o 9.1800  2.6520 -2.697000      5.304000  
1 1 1 10 8  75  o 6.7640  2.2690 -2.176000      4.538000  
1 1 1 10 8  76  o 7.4040  2.4180 -2.887000      4.835000  
1 1 1 10 8  77  o 8.7520  2.5940 0.7501000      5.188000  
1 1 1 10 8  78  o 8.8100  2.6470 -0.3229000     5.295000  
1 1 1 10 8  79  o 7.9850  2.4990 -0.8909000     4.998000  
1 1 1 10 8  80  o 6.8370  2.2410 -1.148000      4.482000  
1 1 1 10 8  81  o 6.5140  2.1570 -0.9601000     4.314000  
1 1 1 10 8  82  f 6.0550  2.0250 1.106000       4.050000  
1 1 1 10 8  83  o 6.5430  2.1850 -0.6210000     4.370000  
1 1 1 10 8  84  o 6.8720  2.2550 0.5831000      4.511000  
1 1 1 10 8  85  o 5.6270  1.9600 -1.749000      3.920000  
1 1 1 10 8  86  o 5.6140  1.9440 0.5588000      3.889000  
1 1 1 10 8  87  o 5.2760  1.8450 0.2784000      3.690000  
1 1 1 10 8  88  o 5.0910  1.7850 0.8988000E-01  3.571000  
1 1 1 10 8  89  o 3.8570  1.3880 0.8698000E-01  2.777000  
1 1 1 10 8  90  o 4.8340  1.6350 0.1952000      3.270000  
1 1 1 10 8  91  o 3.5590  1.8110 ?              ?         
1 1 1 10 9  0   o 20.800  0.4735 -0.000000      0.000000  
1 1 1 10 9  1   o 18.500  0.3664 -0.5882000     0.7327000 
1 1 1 10 9  2   o 45.480  0.6357 0.2213000      1.271000  
1 1 1 10 9  3   o 24.640  0.4313 0.9686000      0.8626000 
1 1 1 10 9  4   f 33.020  0.4719 0.6949000      0.9437000 
1 1 1 10 9  5   o 32.310  0.4628 0.3405000      0.9257000 
1 1 1 10 9  6   o 12.780  0.4099 -0.3214000     0.8197000 
1 1 1 10 9  7   o 46.210  0.6480 1.156000       1.296000  
1 1 1 10 9  8   o 46.660  0.6523 1.019000       1.305000  
1 1 1 10 9  9   o 32.190  0.5035 0.9187000      1.007000  
1 1 1 10 9  10  o 31.420  0.4554 0.2614000      0.9108000 
1 1 1 10 9  11  o 21.840  0.4977 3.482000       0.9953000 
1 1 1 10 9  12  o 44.940  0.6823 1.474000       1.365000  
1 1 1 10 9  13  o 67.180  1.0090 -0.7660000     2.017000  
1 1 1 10 9  14  o 21.120  0.5871 ?              ?         
1 1 1 10 9  15  o 34.220  0.5328 -0.3177000     1.066000  
1 1 1 10 9  16  o 24.630  0.5140 -1.432000      1.028000  
1 1 1 10 9  17  o 55.770  0.8437 0.6589000      1.687000  
1 1 1 10 9  18  o 19.920  0.4735 -3.648000      0.9470000 
1 1 1 10 9  19  o 13.880  0.4551 -1.599000      0.9103000 
1 1 1 10 9  20  o 17.520  0.4000 0.1264000      0.8000000 
1 1 1 10 9  21  o 18.840  0.7449 ?              ?         
1 1 1 10 9  22  f 70.040  1.2780 4.026000       2.556000  
1 1 1 10 9  23  o 29.980  0.6619 -1.514000      1.324000  
1 1 1 10 9  24  o 23.020  0.4561 0.4903000      0.9121000 
1 1 1 10 9  25  o 41.510  0.7731 -0.6556000     1.546000  
1 1 1 10 9  26  o 32.340  0.8037 ?              ?         
1 1 1 10 9  27  o 45.110  1.0520 ?              ?         
1 1 1 10 9  28  o 17.940  0.9048 ?              ?         
1 1 1 10 9  29  f 58.790  1.0690 -3.466000      2.138000  
1 1 1 10 9  30  o 18.550  0.7886 ?              ?         
1 1 1 10 9  31  o 24.110  0.5595 -1.202000      1.119000  
1 1 1 10 9  32  o 29.450  0.6183 -2.228000      1.237000  
1 1 1 10 9  33  o 31.110  0.6434 -2.021000      1.287000  
1 1 1 10 9  34  o 47.620  0.8910 0.1064000      1.782000  
1 1 1 10 9  35  o 44.140  0.8432 1.701000       1.686000  
1 1 1 10 9  36  o 30.920  0.7292 -1.342000      1.458000  
1 1 1 10 9  37  o 27.170  0.7129 -0.9488000E-01 1.426000  
1 1 1 10 9  38  o 27.910  0.8202 0.7021000      1.640000  
1 1 1 10 9  39  o 35.310  0.9314 -3.396000      1.863000  
1 1 1 10 9  40  o 20.130  0.8292 3.997000       1.658000  
1 1 1 10 9  41  o 21.400  0.8206 1.154000       1.641000  
1 1 1 10 9  42  o 6.8400  1.5830 0.5103000      3.166000  
1 1 1 10 9  43  o 44.300  1.1300 -4.248000      2.259000  
1 1 1 10 9  44  o 24.030  0.9037 5.466000       1.807000  
1 1 1 10 9  45  o 29.180  0.9022 -0.7731000     1.804000  
1 1 1 10 9  46  o 29.880  0.9353 1.233000       1.871000  
1 1 1 10 9  47  o 28.700  0.9265 0.4135000      1.853000  
1 1 1 10 9  48  o 24.420  0.9360 2.898000       1.872000  
1 1 1 10 9  49  o 17.910  1.0620 -0.5395000     2.124000  
1 1 1 10 9  50  f 6.1570  1.7340 -1.731000      3.468000  
1 1 1 10 9  51  o 40.300  1.1140 -3.140000      2.227000  
1 1 1 10 9  52  o 34.520  1.0580 3.155000       2.115000  
1 1 1 10 9  53  o 22.540  1.0450 -1.317000      2.089000  
1 1 1 10 9  54  o 13.540  1.5680 -3.709000      3.136000  
1 1 1 10 9  55  o 19.010  1.2120 -0.2691000     2.423000  
1 1 1 10 9  56  f 15.040  1.4830 -1.791000      2.966000  
1 1 1 10 9  57  f 17.860  1.3670 -2.917000      2.734000  
1 1 1 10 9  58  o 14.910  1.5670 -0.6763000     3.134000  
1 1 1 10 9  59  o 17.680  1.3850 -0.6839000     2.769000  
1 1 1 10 9  60  o 7.9630  2.0460 -1.797000      4.092000  
1 1 1 10 9  61  o 10.430  2.1460 0.7899000      4.292000  
1 1 1 10 9  62  o 17.590  1.5060 -0.1635000     3.013000  
1 1 1 10 9  63  o 9.0180  2.1970 0.5292000      4.394000  
1 1 1 10 9  64  o 16.220  1.6240 0.4370000      3.247000  
1 1 1 10 9  65  o 6.2870  1.9500 -0.8136000E-01 3.901000  
1 1 1 10 9  66  o 12.540  2.0810 -0.1444000     4.163000  
1 1 1 10 9  67  o 7.1030  2.0910 0.9945000      4.182000  
1 1 1 10 9  68  o 8.4120  2.1620 2.610000       4.323000  
1 1 1 10 9  69  o 12.910  3.0830 ?              ?         
1 1 1 10 9  70  o 7.1020  2.1110 1.559000       4.222000  
1 1 1 10 9  71  o 8.1260  2.2730 -0.9595000     4.545000  
1 1 1 10 9  72  o 5.8540  1.9160 -1.122000      3.833000  
1 1 1 10 9  73  o 9.8580  2.3630 2.063000       4.726000  
1 1 1 10 9  74  o 5.6200  1.8730 -1.071000      3.746000  
1 1 1 10 9  75  o 7.0250  2.1440 -2.121000      4.288000  
1 1 1 10 9  76  o 8.2300  2.4830 -2.843000      4.966000  
1 1 1 10 9  77  o 6.0690  2.0290 1.403000       4.059000  
1 1 1 10 9  78  o 6.0420  2.0720 -0.9292000     4.145000  
1 1 1 10 9  79  o 5.7810  1.9910 -1.918000      3.982000  
1 1 1 10 9  80  o 6.5410  2.1670 -0.7943000E-01 4.333000  
1 1 1 10 9  81  f 5.7770  1.9590 1.304000       3.919000  
1 1 1 10 9  82  o 6.9650  2.2340 1.251000       4.468000  
1 1 1 10 9  83  o 4.9960  1.7650 0.5229000      3.530000  
1 1 1 10 9  84  o 5.3180  1.8610 0.6571000      3.722000  
1 1 1 10 9  85  o 4.7980  1.7110 -0.1922000     3.421000  
1 1 1 10 9  86  o 5.5070  1.9070 -0.3599000     3.814000  
1 1 1 10 9  87  o 5.2990  1.8410 -0.1662000     3.682000  
1 1 1 10 9  88  o 4.7740  1.6650 -1.138000      3.330000  
1 1 1 10 9  89  o 4.6270  1.5860 1.095000       3.172000  
1 1 1 10 9  90  o 3.9770  1.9950 ?              ?         
1 1 1 10 10 0   o 35.360  0.7114 0.000000       0.000000  
1 1 1 10 10 1   o 34.120  0.4871 -0.2548000     0.9743000 
1 1 1 10 10 2   o 27.500  0.4408 0.4858000      0.8817000 
1 1 1 10 10 3   o 11.400  0.3827 1.872000       0.7654000 
1 1 1 10 10 4   o 20.460  0.3893 -1.551000      0.7786000 
1 1 1 10 10 5   o 33.940  0.4871 0.3034000      0.9742000 
1 1 1 10 10 6   o 47.860  0.6679 0.5537000      1.336000  
1 1 1 10 10 7   o 29.720  0.5598 -0.2020000     1.120000  
1 1 1 10 10 8   o 26.980  0.4056 0.6074000      0.8112000 
1 1 1 10 10 9   o 45.200  0.6340 1.019000       1.268000  
1 1 1 10 10 10  o 37.350  0.5348 0.1854000      1.070000  
1 1 1 10 10 11  f 26.940  0.4075 -0.7517000E-01 0.8149000 
1 1 1 10 10 12  o 32.510  0.5110 0.1844000      1.022000  
1 1 1 10 10 13  o 39.230  0.6003 0.6090000      1.201000  
1 1 1 10 10 14  o 18.860  0.4570 -2.499000      0.9140000 
1 1 1 10 10 15  o 26.330  0.4728 0.2474000      0.9456000 
1 1 1 10 10 16  o 20.740  0.3928 -2.590000      0.7855000 
1 1 1 10 10 17  o 53.340  0.8689 5.157000       1.738000  
1 1 1 10 10 18  o 29.980  0.5919 -7.212000      1.184000  
1 1 1 10 10 19  o 26.180  0.4405 -0.2900000     0.8811000 
1 1 1 10 10 20  o 21.400  0.4016 0.4745000      0.8031000 
1 1 1 10 10 21  o 50.690  0.8274 -1.113000      1.655000  
1 1 1 10 10 22  o 11.170  0.6620 -1.972000      1.324000  
1 1 1 10 10 23  o 31.810  0.6358 2.483000       1.272000  
1 1 1 10 10 24  o 35.290  0.6080 -0.4579000     1.216000  
1 1 1 10 10 25  o 26.740  0.5007 -1.459000      1.001000  
1 1 1 10 10 26  o 29.850  0.6057 -1.330000      1.211000  
1 1 1 10 10 27  o 30.480  0.6064 -1.891000      1.213000  
1 1 1 10 10 28  o 15.260  0.6575 1.387000       1.315000  
1 1 1 10 10 29  o 24.720  0.5546 -1.784000      1.109000  
1 1 1 10 10 30  o 51.060  0.9400 -2.661000      1.880000  
1 1 1 10 10 31  o 48.770  0.9138 0.4725000      1.828000  
1 1 1 10 10 32  o 15.040  0.6304 9.020000       1.261000  
1 1 1 10 10 33  o 16.590  0.5624 -1.187000      1.125000  
1 1 1 10 10 34  o 20.120  0.5622 -1.691000      1.124000  
1 1 1 10 10 35  o 11.520  0.6819 1.976000       1.364000  
1 1 1 10 10 36  o 58.420  1.0740 -2.423000      2.148000  
1 1 1 10 10 37  f 36.890  0.9280 ?              ?         
1 1 1 10 10 38  o 8.1280  0.9229 9.673000       1.846000  
1 1 1 10 10 39  o 14.770  0.8470 -1.655000      1.694000  
1 1 1 10 10 40  o 33.490  0.7994 -1.627000      1.599000  
1 1 1 10 10 41  o 19.690  1.1780 ?              ?         
1 1 1 10 10 42  f 10.950  1.1840 -0.7442000     2.368000  
1 1 1 10 10 43  o 5.8880  1.5690 -1.647000      3.138000  
1 1 1 10 10 44  o 22.820  0.8870 -0.9700000     1.774000  
1 1 1 10 10 45  o 22.230  0.8932 3.779000       1.786000  
1 1 1 10 10 46  o 40.530  1.0850 -3.564000      2.170000  
1 1 1 10 10 47  o 57.700  1.4750 0.8175000      2.951000  
1 1 1 10 10 48  o 11.100  1.5430 2.232000       3.086000  
1 1 1 10 10 49  o 33.060  1.0010 1.365000       2.003000  
1 1 1 10 10 50  o 11.860  1.5380 3.105000       3.075000  
1 1 1 10 10 51  o 31.390  0.9974 -1.332000      1.995000  
1 1 1 10 10 52  o 15.530  1.2790 1.281000       2.559000  
1 1 1 10 10 53  o 17.530  1.2430 -3.119000      2.487000  
1 1 1 10 10 54  o 17.780  1.2830 2.296000       2.566000  
1 1 1 10 10 55  o 19.360  1.2370 -0.7886000E-01 2.475000  
1 1 1 10 10 56  o 34.690  1.1020 -1.889000      2.203000  
1 1 1 10 10 57  o 18.330  1.2960 1.319000       2.592000  
1 1 1 10 10 58  o 15.920  1.4600 -3.010000      2.921000  
1 1 1 10 10 59  o 6.3800  1.9190 -1.233000      3.838000  
1 1 1 10 10 60  o 10.490  2.0680 0.2410000      4.136000  
1 1 1 10 10 61  o 9.7180  2.0890 -1.134000      4.178000  
1 1 1 10 10 62  o 16.180  1.5720 0.5917000      3.144000  
1 1 1 10 10 63  o 9.6770  2.1680 -2.783000      4.336000  
1 1 1 10 10 64  o 7.5170  2.1260 0.6692000      4.252000  
1 1 1 10 10 65  o 7.9630  2.1440 -2.288000      4.288000  
1 1 1 10 10 66  o 7.7450  2.1680 -0.2793000E-01 4.336000  
1 1 1 10 10 67  o 9.8980  2.2750 0.3690000      4.551000  
1 1 1 10 10 68  f 6.2460  1.9900 0.4922000E-01  3.980000  
1 1 1 10 10 69  o 5.7680  1.8970 -1.823000      3.795000  
1 1 1 10 10 70  o 11.350  2.1750 -5.441000      4.349000  
1 1 1 10 10 71  o 12.050  2.1950 -4.657000      4.391000  
1 1 1 10 10 72  o 5.5380  1.8410 0.2587000      3.682000  
1 1 1 10 10 73  o 5.8660  1.9170 -0.9742000     3.833000  
1 1 1 10 10 74  o 8.9790  2.3260 -1.486000      4.652000  
1 1 1 10 10 75  o 6.0440  1.9730 -0.2716000     3.946000  
1 1 1 10 10 76  o 6.0280  2.8180 ?              ?         
1 1 1 10 10 77  o 5.4440  1.8380 -0.3761000     3.675000  
1 1 1 10 10 78  o 5.1430  1.7640 0.8104000      3.528000  
1 1 1 10 10 79  o 6.0140  1.9750 1.055000       3.950000  
1 1 1 10 10 80  o 5.3220  1.8720 -0.9851000     3.745000  
1 1 1 10 10 81  o 5.1500  1.8120 -0.9494000E-03 3.624000  
1 1 1 10 10 82  o 5.1060  1.8140 -0.5198000     3.628000  
1 1 1 10 10 83  o 5.6760  1.9570 0.7346000      3.915000  
1 1 1 10 10 84  o 5.6620  1.9450 -0.6790000     3.889000  
1 1 1 10 10 85  o 5.1680  1.7850 0.6472000      3.571000  
1 1 1 10 10 86  o 5.4670  1.8720 0.5158000      3.743000  
1 1 1 10 10 87  o 4.8850  1.7020 -0.5850000     3.404000  
1 1 1 10 10 88  o 5.1150  1.7160 0.3728000      3.431000  
1 1 1 10 10 89  o 3.4850  1.7710 ?              ?         
1 1 1 10 11 0   o 27.970  0.6816 0.000000       0.000000  
1 1 1 10 11 1   o 44.190  0.6210 0.8537000      1.242000  
1 1 1 10 11 2   o 40.390  0.5719 -0.1897000     1.144000  
1 1 1 10 11 3   o 26.230  0.4295 0.9966000      0.8591000 
1 1 1 10 11 4   o 20.330  0.3678 -1.450000      0.7355000 
1 1 1 10 11 5   o 15.030  0.3494 -3.230000      0.6987000 
1 1 1 10 11 6   o 71.180  1.1470 -3.374000      2.294000  
1 1 1 10 11 7   o 83.180  1.1540 2.177000       2.307000  
1 1 1 10 11 8   o 69.580  0.9656 0.2750000      1.931000  
1 1 1 10 11 9   o 55.780  0.8426 -2.254000      1.685000  
1 1 1 10 11 10  o 35.980  0.5639 3.554000       1.128000  
1 1 1 10 11 11  o 39.430  0.5620 -0.2164000     1.124000  
1 1 1 10 11 12  o 27.650  0.4936 0.7575000      0.9872000 
1 1 1 10 11 13  o 17.420  0.3910 2.260000       0.7820000 
1 1 1 10 11 14  f 39.290  0.6066 0.2198000      1.213000  
1 1 1 10 11 15  f 42.210  0.6442 3.307000       1.288000  
1 1 1 10 11 16  o 31.320  0.5698 1.021000       1.140000  
1 1 1 10 11 17  o 40.560  0.6254 -0.1160000     1.251000  
1 1 1 10 11 18  o 36.510  0.5752 0.1803000      1.150000  
1 1 1 10 11 19  o 55.550  0.9022 3.840000       1.804000  
1 1 1 10 11 20  o 61.510  0.9281 -0.7196000     1.856000  
1 1 1 10 11 21  o 46.570  0.7149 -0.1139000     1.430000  
1 1 1 10 11 22  f 14.540  0.7364 ?              ?         
1 1 1 10 11 23  o 35.920  0.6994 2.344000       1.399000  
1 1 1 10 11 24  o 45.010  0.7443 -1.297000      1.489000  
1 1 1 10 11 25  o 18.550  0.7871 ?              ?         
1 1 1 10 11 26  o 23.100  0.4738 0.3583000      0.9477000 
1 1 1 10 11 27  o 18.730  0.4492 -0.5376000     0.8984000 
1 1 1 10 11 28  o 38.250  0.7390 0.7675000      1.478000  
1 1 1 10 11 29  o 25.420  0.5441 1.096000       1.088000  
1 1 1 10 11 30  o 19.590  0.4940 -0.8344000E-01 0.9880000 
1 1 1 10 11 31  o 32.250  0.6598 1.486000       1.320000  
1 1 1 10 11 32  o 23.100  0.5742 1.859000       1.148000  
1 1 1 10 11 33  o 18.970  0.5642 -0.8685000     1.128000  
1 1 1 10 11 34  o 24.210  0.5985 0.1963000      1.197000  
1 1 1 10 11 35  o 10.830  0.7443 -0.7212000     1.489000  
1 1 1 10 11 36  o 6.4270  1.1370 -0.4304000     2.274000  
1 1 1 10 11 37  o 22.500  0.6021 1.370000       1.204000  
1 1 1 10 11 38  f 46.600  0.8863 -1.214000      1.773000  
1 1 1 10 11 39  o 34.830  0.7311 -0.3830000     1.462000  
1 1 1 10 11 40  o 18.490  0.6650 3.479000       1.330000  
1 1 1 10 11 41  o 14.240  0.7337 0.5171000E-01  1.467000  
1 1 1 10 11 42  o 26.010  0.6619 -0.3490000     1.324000  
1 1 1 10 11 43  o 35.120  0.8439 -2.888000      1.688000  
1 1 1 10 11 44  o 18.190  0.9213 2.136000       1.843000  
1 1 1 10 11 45  o 29.530  0.8267 -0.1258000     1.653000  
1 1 1 10 11 46  o 16.770  1.0010 -0.4257000     2.003000  
1 1 1 10 11 47  o 12.010  1.2880 -2.954000      2.577000  
1 1 1 10 11 48  f 10.410  1.5340 5.870000       3.067000  
1 1 1 10 11 49  o 15.780  1.1090 -1.526000      2.218000  
1 1 1 10 11 50  f 41.150  1.1370 -0.4064000     2.274000  
1 1 1 10 11 51  o 12.350  1.6890 6.824000       3.378000  
1 1 1 10 11 52  o 12.960  1.5840 -0.2981000     3.168000  
1 1 1 10 11 53  o 7.2330  1.8800 -3.292000      3.759000  
1 1 1 10 11 54  o 9.3290  1.8160 -5.164000      3.632000  
1 1 1 10 11 55  o 7.1020  1.9060 0.7015000      3.813000  
1 1 1 10 11 56  o 7.1480  1.9430 0.6026000      3.886000  
1 1 1 10 11 57  o 10.340  1.9330 2.897000       3.866000  
1 1 1 10 11 58  o 8.0110  2.0200 0.4399000E-01  4.039000  
1 1 1 10 11 59  o 13.780  1.7190 2.063000       3.439000  
1 1 1 10 11 60  o 7.7220  2.0420 -2.138000      4.083000  
1 1 1 10 11 61  o 17.840  1.4330 1.975000       2.866000  
1 1 1 10 11 62  f 11.140  1.9910 4.777000       3.982000  
1 1 1 10 11 63  o 10.990  2.0670 2.267000       4.134000  
1 1 1 10 11 64  o 5.7840  1.8630 -1.593000      3.726000  
1 1 1 10 11 65  o 21.600  1.3830 -3.764000      2.766000  
1 1 1 10 11 66  o 15.000  1.8770 -1.016000      3.754000  
1 1 1 10 11 67  o 5.9820  1.9320 -0.1520000     3.863000  
1 1 1 10 11 68  f 13.610  2.0320 -0.6332000     4.064000  
1 1 1 10 11 69  o 6.2270  1.9680 -0.9200000     3.937000  
1 1 1 10 11 70  o 5.3350  1.7910 -0.7038000E-01 3.582000  
1 1 1 10 11 71  o 6.2550  1.9890 0.6315000      3.978000  
1 1 1 10 11 72  o 6.5030  2.0290 -0.5191000     4.057000  
1 1 1 10 11 73  o 5.9090  1.9220 1.528000       3.844000  
1 1 1 10 11 74  o 6.3090  1.9950 2.630000       3.989000  
1 1 1 10 11 75  o 6.2230  2.0110 -0.8107000     4.022000  
1 1 1 10 11 76  o 4.6120  1.6120 -0.5050000     3.225000  
1 1 1 10 11 77  o 5.5640  1.8400 -1.214000      3.681000  
1 1 1 10 11 78  o 6.1050  1.9650 -0.8127000     3.930000  
1 1 1 10 11 79  o 6.3800  2.0320 -0.3272000     4.063000  
1 1 1 10 11 80  o 5.9160  1.9350 2.062000       3.871000  
1 1 1 10 11 81  o 5.2490  1.7860 0.5083000      3.572000  
1 1 1 10 11 82  o 5.3670  1.8050 0.3571000      3.609000  
1 1 1 10 11 83  o 3.9960  1.9800 ?              ?         
1 1 1 10 11 84  o 3.5740  1.8030 ?              ?         
1 1 1 10 11 85  o 4.5280  1.5990 0.1570000      3.199000  
1 1 1 10 11 86  o 4.2430  1.4980 1.245000       2.997000  
1 1 1 10 11 87  o 5.7100  1.8370 1.356000       3.674000  
1 1 1 10 12 0   o 18.070  0.4689 0.000000       0.000000  
1 1 1 10 12 1   o 27.850  0.4182 1.080000       0.8363000 
1 1 1 10 12 2   o 31.300  0.5311 -1.280000      1.062000  
1 1 1 10 12 3   o 65.750  0.9139 0.7297000      1.828000  
1 1 1 10 12 4   o 35.020  0.5846 1.053000       1.169000  
1 1 1 10 12 5   o 41.920  0.5926 0.4709000      1.185000  
1 1 1 10 12 6   o 36.690  0.5707 -1.566000      1.141000  
1 1 1 10 12 7   o 30.620  0.4544 0.4716000E-01  0.9088000 
1 1 1 10 12 8   o 8.5940  0.5483 -0.5811000     1.097000  
1 1 1 10 12 9   o 24.690  0.3889 -0.1809000     0.7778000 
1 1 1 10 12 10  o 24.040  0.4197 -0.1143000     0.8394000 
1 1 1 10 12 11  o 65.440  0.9864 -2.454000      1.973000  
1 1 1 10 12 12  o 16.430  0.5266 4.173000       1.053000  
1 1 1 10 12 13  o 31.190  0.4631 1.210000       0.9262000 
1 1 1 10 12 14  o 26.500  0.4148 -0.7843000     0.8296000 
1 1 1 10 12 15  o 20.450  0.4021 -2.329000      0.8042000 
1 1 1 10 12 16  o 46.360  0.7598 1.249000       1.520000  
1 1 1 10 12 17  o 69.570  1.0490 -2.218000      2.098000  
1 1 1 10 12 18  o 73.170  1.0970 1.861000       2.195000  
1 1 1 10 12 19  o 35.750  0.6847 -0.8256000     1.369000  
1 1 1 10 12 20  o 28.740  0.6286 -3.428000      1.257000  
1 1 1 10 12 21  o 50.140  0.7668 -0.7142000     1.534000  
1 1 1 10 12 22  o 24.770  0.5458 -0.5178000     1.092000  
1 1 1 10 12 23  o 22.820  0.4526 1.869000       0.9051000 
1 1 1 10 12 24  o 18.660  0.4554 -0.2994000     0.9109000 
1 1 1 10 12 25  o 29.260  0.5417 0.1164000E-01  1.083000  
1 1 1 10 12 26  o 44.800  0.7442 -0.4632000     1.488000  
1 1 1 10 12 27  o 38.370  0.6621 -0.1836000     1.324000  
1 1 1 10 12 28  o 40.560  0.6898 -1.319000      1.380000  
1 1 1 10 12 29  o 22.730  0.4833 1.157000       0.9666000 
1 1 1 10 12 30  o 33.900  0.6069 -0.9769000     1.214000  
1 1 1 10 12 31  o 31.640  0.5826 -1.334000      1.165000  
1 1 1 10 12 32  o 14.370  0.5799 1.797000       1.160000  
1 1 1 10 12 33  o 12.830  0.8441 -0.1127000     1.688000  
1 1 1 10 12 34  f 16.260  0.6042 2.672000       1.208000  
1 1 1 10 12 35  o 21.840  0.9633 ?              ?         
1 1 1 10 12 36  o 29.610  0.6730 1.273000       1.346000  
1 1 1 10 12 37  o 27.200  0.6363 -0.5015000     1.273000  
1 1 1 10 12 38  o 12.880  0.8589 ?              ?         
1 1 1 10 12 39  o 11.150  0.8345 1.118000       1.669000  
1 1 1 10 12 40  o 18.180  0.6677 1.407000       1.335000  
1 1 1 10 12 41  o 28.080  0.6848 1.272000       1.370000  
1 1 1 10 12 42  f 21.000  0.6846 1.563000       1.369000  
1 1 1 10 12 43  o 30.130  0.7184 0.3660000E-01  1.437000  
1 1 1 10 12 44  o 15.060  0.8135 0.7755000      1.627000  
1 1 1 10 12 45  o 31.280  0.7412 0.1613000      1.482000  
1 1 1 10 12 46  o 8.3220  1.3070 2.460000       2.614000  
1 1 1 10 12 47  o 7.2650  1.7140 -3.422000      3.428000  
1 1 1 10 12 48  o 21.190  0.9381 1.835000       1.876000  
1 1 1 10 12 49  o 13.160  1.3920 1.552000       2.785000  
1 1 1 10 12 50  o 22.160  0.9495 -1.424000      1.899000  
1 1 1 10 12 51  o 26.100  0.9378 2.757000       1.876000  
1 1 1 10 12 52  o 13.040  1.4460 3.029000       2.892000  
1 1 1 10 12 53  o 9.7610  1.7310 -4.713000      3.462000  
1 1 1 10 12 54  o 18.610  1.1340 2.885000       2.268000  
1 1 1 10 12 55  o 14.420  1.4370 -0.6599000     2.875000  
1 1 1 10 12 56  o 8.3500  1.9300 3.235000       3.859000  
1 1 1 10 12 57  f 12.590  1.6990 -0.8773000     3.399000  
1 1 1 10 12 58  o 8.6030  1.9360 3.644000       3.873000  
1 1 1 10 12 59  o 6.3340  1.8870 1.625000       3.775000  
1 1 1 10 12 60  o 8.0370  2.0900 0.6622000E-01  4.180000  
1 1 1 10 12 61  o 11.440  1.9860 1.453000       3.972000  
1 1 1 10 12 62  o 12.970  1.8740 -2.309000      3.749000  
1 1 1 10 12 63  o 14.340  1.8240 -1.171000      3.648000  
1 1 1 10 12 64  o 6.2640  1.9460 -1.217000      3.892000  
1 1 1 10 12 65  o 12.080  2.1190 2.664000       4.237000  
1 1 1 10 12 66  o 9.0640  2.1810 -1.771000      4.361000  
1 1 1 10 12 67  o 6.8120  2.0160 -2.412000      4.032000  
1 1 1 10 12 68  o 5.8480  1.8890 -1.329000      3.779000  
1 1 1 10 12 69  o 9.9830  2.2100 -1.086000      4.419000  
1 1 1 10 12 70  o 4.9740  1.6890 0.5052000      3.378000  
1 1 1 10 12 71  o 5.9340  1.9370 -0.8120000     3.875000  
1 1 1 10 12 72  o 6.2390  2.0100 -0.5643000     4.020000  
1 1 1 10 12 73  o 6.0440  1.9650 0.2051000      3.931000  
1 1 1 10 12 74  f 5.6540  1.8860 -0.2128000     3.773000  
1 1 1 10 12 75  o 7.7670  2.2510 0.5881000      4.502000  
1 1 1 10 12 76  o 5.6860  1.8580 -1.878000      3.716000  
1 1 1 10 12 77  o 7.5050  2.0840 -3.985000      4.168000  
1 1 1 10 12 78  o 5.9490  1.8970 -1.513000      3.793000  
1 1 1 10 12 79  o 4.7440  1.6440 0.3554000      3.287000  
1 1 1 10 12 80  o 5.6700  1.8770 2.343000       3.753000  
1 1 1 10 12 81  o 5.1510  1.7290 -1.396000      3.458000  
1 1 1 10 12 82  o 3.9770  1.4120 0.1687000E-01  2.824000  
1 1 1 10 12 83  o 4.7630  1.6460 1.372000       3.292000  
1 1 1 10 12 84  o 4.7900  1.6320 -0.6251000     3.265000  
1 1 1 10 12 85  o 4.1010  1.4150 -0.2626000     2.830000  
1 1 1 10 12 86  o 3.7910  1.3500 -0.2510000     2.700000  
1 1 1 10 12 87  o 4.5680  2.2260 ?              ?         
1 1 1 10 13 0   o 10.860  0.7155 -0.000000      0.000000  
1 1 1 10 13 1   o 20.990  0.3588 0.3263000      0.7177000 
1 1 1 10 13 2   o 19.540  0.3760 -0.6108000     0.7520000 
1 1 1 10 13 3   o 32.610  0.4754 0.4854000E-01  0.9509000 
1 1 1 10 13 4   o 29.510  0.5618 3.718000       1.124000  
1 1 1 10 13 5   o 38.270  0.5470 0.3091000      1.094000  
1 1 1 10 13 6   f 23.300  0.4923 4.758000       0.9846000 
1 1 1 10 13 7   f 39.940  0.5689 0.7963000      1.138000  
1 1 1 10 13 8   o 34.130  0.5394 2.863000       1.079000  
1 1 1 10 13 9   o 43.770  0.6190 -0.2442000     1.238000  
1 1 1 10 13 10  o 19.960  0.6180 ?              ?         
1 1 1 10 13 11  o 29.690  0.4483 -0.8605000     0.8967000 
1 1 1 10 13 12  f 45.350  0.6407 -0.3377000     1.281000  
1 1 1 10 13 13  o 10.550  0.6194 1.914000       1.239000  
1 1 1 10 13 14  o 33.840  0.5831 0.3401000      1.166000  
1 1 1 10 13 15  o 28.490  0.4788 -2.018000      0.9575000 
1 1 1 10 13 16  o 22.270  0.4549 1.768000       0.9098000 
1 1 1 10 13 17  o 77.710  1.3380 -1.799000      2.675000  
1 1 1 10 13 18  o 52.590  0.9674 -3.812000      1.935000  
1 1 1 10 13 19  o 15.450  0.5238 -4.850000      1.048000  
1 1 1 10 13 20  o 15.630  0.4124 0.7974000      0.8248000 
1 1 1 10 13 21  o 8.6730  0.6540 0.7484000      1.308000  
1 1 1 10 13 22  o 55.910  0.9133 1.885000       1.827000  
1 1 1 10 13 23  o 20.600  0.5306 0.6757000      1.061000  
1 1 1 10 13 24  o 38.480  0.6104 0.2341000E-01  1.221000  
1 1 1 10 13 25  o 48.700  0.7496 -0.2840000     1.499000  
1 1 1 10 13 26  o 25.320  0.6510 -1.670000      1.302000  
1 1 1 10 13 27  o 61.320  1.1310 2.731000       2.262000  
1 1 1 10 13 28  o 34.900  0.7807 -0.2233000     1.561000  
1 1 1 10 13 29  o 5.6440  1.2390 -0.4047000     2.479000  
1 1 1 10 13 30  o 14.440  0.5385 0.5282000      1.077000  
1 1 1 10 13 31  o 45.580  0.8758 2.584000       1.752000  
1 1 1 10 13 32  o 13.530  0.7559 -1.168000      1.512000  
1 1 1 10 13 33  o 16.040  0.5447 -0.3171000     1.089000  
1 1 1 10 13 34  o 23.890  0.5300 -1.976000      1.060000  
1 1 1 10 13 35  f 7.0820  1.0080 1.951000       2.016000  
1 1 1 10 13 36  o 8.1460  0.9417 -0.1184000     1.883000  
1 1 1 10 13 37  o 12.300  0.6613 0.8682000      1.323000  
1 1 1 10 13 38  o 18.160  0.5724 -0.8504000     1.145000  
1 1 1 10 13 39  o 16.710  0.7100 -0.3589000     1.420000  
1 1 1 10 13 40  o 46.380  0.9800 -0.4189000     1.960000  
1 1 1 10 13 41  o 31.080  0.8672 ?              ?         
1 1 1 10 13 42  o 33.700  0.7661 2.733000       1.532000  
1 1 1 10 13 43  o 20.590  0.7562 1.208000       1.512000  
1 1 1 10 13 44  o 16.370  0.8148 0.7203000      1.630000  
1 1 1 10 13 45  o 12.210  0.9775 4.028000       1.955000  
1 1 1 10 13 46  o 11.250  1.1300 -0.9442000     2.260000  
1 1 1 10 13 47  o 5.1340  1.4420 0.4537000      2.884000  
1 1 1 10 13 48  o 26.350  0.7454 0.4199000      1.491000  
1 1 1 10 13 49  o 15.960  0.8842 1.130000       1.768000  
1 1 1 10 13 50  o 13.670  1.0030 1.559000       2.006000  
1 1 1 10 13 51  o 15.000  1.2140 -1.788000      2.427000  
1 1 1 10 13 52  o 14.470  1.3250 1.399000       2.650000  
1 1 1 10 13 53  o 9.5890  1.8150 -2.902000      3.629000  
1 1 1 10 13 54  o 5.3340  1.6670 -0.2388000     3.334000  
1 1 1 10 13 55  o 7.0270  1.8830 -0.7435000     3.767000  
1 1 1 10 13 56  o 7.8370  1.8750 2.714000       3.750000  
1 1 1 10 13 57  o 8.2450  1.9850 0.2549000      3.970000  
1 1 1 10 13 58  o 16.650  1.3280 -2.090000      2.656000  
1 1 1 10 13 59  o 9.3530  1.9740 -0.4530000     3.947000  
1 1 1 10 13 60  o 6.6400  1.9160 0.7677000      3.831000  
1 1 1 10 13 61  o 9.7650  2.0820 -0.7960000     4.163000  
1 1 1 10 13 62  o 10.120  2.0840 -2.063000      4.168000  
1 1 1 10 13 63  o 13.560  1.9250 0.7441000E-01  3.849000  
1 1 1 10 13 64  o 6.6280  1.9940 0.8941000      3.987000  
1 1 1 10 13 65  o 8.1340  2.1180 -1.615000      4.237000  
1 1 1 10 13 66  o 8.5670  2.1130 -4.367000      4.227000  
1 1 1 10 13 67  o 9.0440  2.1380 0.8596000      4.276000  
1 1 1 10 13 68  o 5.4240  1.7710 0.9737000      3.542000  
1 1 1 10 13 69  o 6.7320  1.9720 2.674000       3.945000  
1 1 1 10 13 70  o 7.8990  2.1330 -3.144000      4.265000  
1 1 1 10 13 71  o 6.6360  2.0410 0.1306000      4.081000  
1 1 1 10 13 72  o 6.7920  2.0380 -3.600000      4.076000  
1 1 1 10 13 73  f 6.4100  1.9980 0.9345000      3.997000  
1 1 1 10 13 74  o 6.1970  1.9620 -0.1694000     3.924000  
1 1 1 10 13 75  o 5.1600  1.7440 -0.3626000     3.487000  
1 1 1 10 13 76  o 5.2580  1.7620 0.7694000      3.524000  
1 1 1 10 13 77  o 5.8730  1.9050 1.981000       3.809000  
1 1 1 10 13 78  o 6.0330  1.9370 -1.500000      3.874000  
1 1 1 10 13 79  o 5.9780  1.9430 -0.1258000     3.885000  
1 1 1 10 13 80  o 5.6080  1.8140 -1.744000      3.628000  
1 1 1 10 13 81  o 4.4300  1.5450 -0.4689000     3.090000  
1 1 1 10 13 82  o 4.9360  1.6890 -0.1728000     3.379000  
1 1 1 10 13 83  f 4.2940  1.5080 1.074000       3.016000  
1 1 1 10 13 84  o 3.8470  1.3480 0.3033000      2.695000  
1 1 1 10 13 85  f 4.2380  1.4960 -0.1784000     2.991000  
1 1 1 10 13 86  o 3.6550  1.8560 ?              ?         
1 1 1 10 14 1   o 38.780  0.6028 -1.483000      1.206000  
1 1 1 10 14 2   o 36.120  0.5211 0.6329000E-01  1.042000  
1 1 1 10 14 3   o 22.360  0.5334 0.2168000      1.067000  
1 1 1 10 14 4   o 42.610  0.6032 -0.7887000     1.206000  
1 1 1 10 14 5   o 33.050  0.4867 0.5303000      0.9734000 
1 1 1 10 14 6   o 27.200  0.4220 0.6832000      0.8440000 
1 1 1 10 14 7   o 18.840  0.4756 -1.473000      0.9511000 
1 1 1 10 14 8   o 45.800  0.6498 -0.3194000     1.300000  
1 1 1 10 14 9   o 10.780  0.5804 2.306000       1.161000  
1 1 1 10 14 10  o 11.730  0.4335 -0.9896000E-01 0.8671000 
1 1 1 10 14 11  o 32.350  0.4798 -0.3456000     0.9597000 
1 1 1 10 14 12  o 26.160  0.4201 0.2924000      0.8401000 
1 1 1 10 14 13  o 36.240  0.5295 0.8900000      1.059000  
1 1 1 10 14 14  o 35.430  0.5210 0.2629000      1.042000  
1 1 1 10 14 15  o 44.980  0.6405 0.5287000      1.281000  
1 1 1 10 14 16  o 30.620  0.5460 -0.1490000     1.092000  
1 1 1 10 14 17  o 27.020  0.4316 -0.2830000     0.8633000 
1 1 1 10 14 18  o 45.160  0.6443 -0.6834000     1.289000  
1 1 1 10 14 19  o 40.690  0.6376 -1.244000      1.275000  
1 1 1 10 14 20  o 21.380  0.4937 1.875000       0.9875000 
1 1 1 10 14 21  o 6.8120  0.9573 -2.871000      1.915000  
1 1 1 10 14 22  o 14.200  0.4514 1.876000       0.9028000 
1 1 1 10 14 23  o 26.470  0.4741 -0.4245000     0.9483000 
1 1 1 10 14 24  o 21.840  0.4464 -0.6837000     0.8928000 
1 1 1 10 14 25  o 17.650  0.4466 -1.457000      0.8931000 
1 1 1 10 14 26  o 19.970  0.4515 -0.9134000     0.9030000 
1 1 1 10 14 27  o 50.880  0.9583 2.561000       1.917000  
1 1 1 10 14 28  o 30.120  0.7084 -1.863000      1.417000  
1 1 1 10 14 29  o 19.070  0.5151 -0.6448000     1.030000  
1 1 1 10 14 30  o 41.700  0.8155 2.394000       1.631000  
1 1 1 10 14 31  o 27.320  0.7005 -2.197000      1.401000  
1 1 1 10 14 32  o 19.410  0.5340 1.179000       1.068000  
1 1 1 10 14 33  o 18.110  0.5363 -0.9716000     1.073000  
1 1 1 10 14 34  o 27.430  0.6571 0.3054000      1.314000  
1 1 1 10 14 35  o 32.870  0.6234 -0.5801000     1.247000  
1 1 1 10 14 36  o 14.810  0.7814 -0.7998000     1.563000  
1 1 1 10 14 37  o 9.1840  0.8871 1.140000       1.774000  
1 1 1 10 14 38  f 19.170  0.5907 1.532000       1.181000  
1 1 1 10 14 39  f 24.580  0.5767 0.2936000      1.153000  
1 1 1 10 14 40  o 5.4480  1.3780 1.106000       2.755000  
1 1 1 10 14 41  f 28.260  0.6079 -0.9458000     1.216000  
1 1 1 10 14 42  o 6.5210  1.1850 3.286000       2.370000  
1 1 1 10 14 43  o 21.190  0.7064 -0.2280000     1.413000  
1 1 1 10 14 44  o 11.330  1.0650 -0.9232000     2.130000  
1 1 1 10 14 45  o 15.390  0.9282 -2.484000      1.856000  
1 1 1 10 14 46  o 7.7590  1.4640 -0.3253000     2.928000  
1 1 1 10 14 47  o 25.650  0.7556 -2.344000      1.511000  
1 1 1 10 14 48  o 10.640  1.2310 4.761000       2.462000  
1 1 1 10 14 49  o 4.2330  1.3490 0.2474000      2.698000  
1 1 1 10 14 50  o 13.290  1.0230 0.9915000      2.047000  
1 1 1 10 14 51  o 16.410  0.9069 1.203000       1.814000  
1 1 1 10 14 52  o 6.3770  1.5360 4.318000       3.072000  
1 1 1 10 14 53  o 17.150  0.9295 0.8587000E-01  1.859000  
1 1 1 10 14 54  o 7.9640  1.5770 -2.317000      3.153000  
1 1 1 10 14 55  o 6.4700  1.8410 -0.2566000     3.682000  
1 1 1 10 14 56  o 16.950  1.2650 0.7177000      2.531000  
1 1 1 10 14 57  o 7.2990  1.9360 -0.8755000     3.872000  
1 1 1 10 14 58  o 12.590  1.6550 0.8720000      3.310000  
1 1 1 10 14 59  o 6.8620  1.9180 0.3436000      3.836000  
1 1 1 10 14 60  o 8.3780  2.0320 -2.338000      4.063000  
1 1 1 10 14 61  o 9.7300  2.0200 -0.4410000     4.040000  
1 1 1 10 14 62  o 6.7550  1.9810 -1.536000      3.962000  
1 1 1 10 14 63  o 9.4450  2.0910 -1.583000      4.182000  
1 1 1 10 14 64  o 8.4530  2.0770 -1.760000      4.154000  
1 1 1 10 14 65  o 4.8330  1.6300 0.6225000      3.260000  
1 1 1 10 14 66  o 11.180  2.0480 3.458000       4.095000  
1 1 1 10 14 67  o 5.7010  1.8030 1.345000       3.606000  
1 1 1 10 14 68  o 9.6500  2.2000 -2.001000      4.400000  
1 1 1 10 14 69  o 5.9940  1.8400 2.473000       3.681000  
1 1 1 10 14 70  o 7.4490  2.1190 -0.3524000     4.237000  
1 1 1 10 14 71  o 12.310  2.1800 -0.9755000     4.359000  
1 1 1 10 14 72  o 8.4830  2.2370 0.9978000E-01  4.475000  
1 1 1 10 14 73  o 6.6850  2.0160 1.256000       4.033000  
1 1 1 10 14 74  o 5.1580  1.7360 -0.9397000     3.472000  
1 1 1 10 14 75  o 4.6710  1.6170 -0.6885000     3.235000  
1 1 1 10 14 76  o 4.8760  1.6700 -0.6129000     3.339000  
1 1 1 10 14 77  o 4.7550  1.6480 0.6538000      3.296000  
1 1 1 10 14 78  o 5.7780  1.8960 1.700000       3.792000  
1 1 1 10 14 79  o 4.4220  1.5400 -0.7178000     3.080000  
1 1 1 10 14 80  o 4.6960  1.6260 0.4806000      3.252000  
1 1 1 10 14 81  o 4.5130  1.5720 0.3426000      3.145000  
1 1 1 10 14 82  o 4.7770  1.5710 -1.424000      3.143000  
1 1 1 10 14 83  o 4.7320  1.6290 0.2621000      3.257000  
1 1 1 10 14 84  o 4.8200  2.3240 ?              ?         
1 1 1 10 15 0   o 62.070  1.2220 0.000000       0.000000  
1 1 1 10 15 1   f 43.800  0.6737 1.275000       1.347000  
1 1 1 10 15 2   o 44.700  0.6848 0.6860000      1.370000  
1 1 1 10 15 3   o 29.980  0.4902 1.920000       0.9805000 
1 1 1 10 15 4   o 32.610  0.4835 -0.3113000     0.9670000 
1 1 1 10 15 5   o 22.220  0.4900 2.013000       0.9800000 
1 1 1 10 15 6   o 39.400  0.5665 1.180000       1.133000  
1 1 1 10 15 7   o 19.470  0.5064 -4.095000      1.013000  
1 1 1 10 15 8   o 60.010  0.8419 3.150000       1.684000  
1 1 1 10 15 9   o 33.270  0.6456 -2.777000      1.291000  
1 1 1 10 15 10  o 45.960  0.6525 1.324000       1.305000  
1 1 1 10 15 11  o 42.560  0.6581 -1.288000      1.316000  
1 1 1 10 15 12  o 30.150  0.4607 1.617000       0.9213000 
1 1 1 10 15 13  o 22.430  0.5492 1.549000       1.098000  
1 1 1 10 15 14  f 58.610  0.8908 -1.150000      1.782000  
1 1 1 10 15 15  o 13.620  0.7250 ?              ?         
1 1 1 10 15 16  o 14.200  0.4093 0.1128000      0.8186000 
1 1 1 10 15 17  o 29.340  0.4601 -0.3059000     0.9201000 
1 1 1 10 15 18  o 31.490  0.4867 -0.8700000     0.9734000 
1 1 1 10 15 19  o 46.960  0.6729 -0.6495000     1.346000  
1 1 1 10 15 20  o 28.760  0.6038 -0.6983000     1.208000  
1 1 1 10 15 21  o 29.400  0.5059 0.6377000      1.012000  
1 1 1 10 15 22  o 26.250  0.4828 -0.3287000     0.9656000 
1 1 1 10 15 23  o 30.800  0.5238 -1.040000      1.048000  
1 1 1 10 15 24  o 24.840  0.4763 -1.607000      0.9525000 
1 1 1 10 15 25  o 23.570  0.4726 0.1353000      0.9451000 
1 1 1 10 15 26  o 21.480  0.4696 -0.4083000     0.9392000 
1 1 1 10 15 27  o 44.760  0.7032 1.098000       1.406000  
1 1 1 10 15 28  o 41.390  0.6651 -1.234000      1.330000  
1 1 1 10 15 29  o 5.3750  1.3100 -1.583000      2.620000  
1 1 1 10 15 30  o 17.350  0.5298 -0.1796000     1.060000  
1 1 1 10 15 31  f 24.450  0.5408 -1.526000      1.082000  
1 1 1 10 15 32  o 14.430  0.6077 0.3811000      1.215000  
1 1 1 10 15 33  o 14.060  0.6078 -0.5786000     1.216000  
1 1 1 10 15 34  o 40.230  0.7125 0.9290000      1.425000  
1 1 1 10 15 35  o 18.680  0.7353 -1.132000      1.471000  
1 1 1 10 15 36  o 25.070  0.5749 0.1783000      1.150000  
1 1 1 10 15 37  o 15.660  0.6361 -1.083000      1.272000  
1 1 1 10 15 38  o 6.5950  1.1890 0.4151000      2.378000  
1 1 1 10 15 39  o 7.9070  1.1240 -2.663000      2.249000  
1 1 1 10 15 40  o 24.390  0.6059 0.2569000      1.212000  
1 1 1 10 15 41  o 17.150  0.6476 0.8761000      1.295000  
1 1 1 10 15 42  o 22.350  0.6051 -0.2219000E-01 1.210000  
1 1 1 10 15 43  o 23.800  0.6199 -2.200000      1.240000  
1 1 1 10 15 44  o 27.590  0.6274 -0.2796000     1.255000  
1 1 1 10 15 45  o 15.750  0.7085 -1.313000      1.417000  
1 1 1 10 15 46  o 19.450  0.6461 0.9217000      1.292000  
1 1 1 10 15 47  o 30.980  0.7719 0.1490000      1.544000  
1 1 1 10 15 48  o 22.250  0.7751 0.6078000E-01  1.550000  
1 1 1 10 15 49  o 16.130  0.9089 1.718000       1.818000  
1 1 1 10 15 50  o 10.290  1.3650 1.076000       2.729000  
1 1 1 10 15 51  o 24.520  0.8065 -2.282000      1.613000  
1 1 1 10 15 52  o 5.5980  1.5400 3.757000       3.079000  
1 1 1 10 15 53  o 5.2090  1.5250 1.305000       3.049000  
1 1 1 10 15 54  f 10.110  1.4160 3.267000       2.832000  
1 1 1 10 15 55  o 6.6600  1.6500 0.1565000      3.299000  
1 1 1 10 15 56  o 8.1110  1.6110 -1.494000      3.221000  
1 1 1 10 15 57  o 17.540  0.9522 0.2892000      1.904000  
1 1 1 10 15 58  o 6.5060  1.6120 3.999000       3.223000  
1 1 1 10 15 59  o 7.1100  1.6930 1.795000       3.386000  
1 1 1 10 15 60  o 7.2390  1.9400 0.7242000      3.880000  
1 1 1 10 15 61  o 6.3300  1.8600 -2.058000      3.720000  
1 1 1 10 15 62  o 6.5290  1.8760 1.182000       3.752000  
1 1 1 10 15 63  o 5.0670  1.6760 -1.238000      3.352000  
1 1 1 10 15 64  o 7.3240  1.9740 -3.501000      3.947000  
1 1 1 10 15 65  o 6.4910  1.8310 2.821000       3.662000  
1 1 1 10 15 66  o 6.4300  1.8900 0.6990000      3.781000  
1 1 1 10 15 67  o 6.9720  2.0140 -1.174000      4.028000  
1 1 1 10 15 68  o 6.0340  1.8820 -1.521000      3.764000  
1 1 1 10 15 69  o 6.3030  1.9570 -1.219000      3.914000  
1 1 1 10 15 70  o 6.0400  1.8970 -0.2346000     3.794000  
1 1 1 10 15 71  o 6.3160  1.9570 -1.525000      3.915000  
1 1 1 10 15 72  o 4.9220  1.6740 -0.8349000E-01 3.348000  
1 1 1 10 15 73  o 6.8870  2.0600 -1.674000      4.121000  
1 1 1 10 15 74  o 6.3060  1.9680 2.485000       3.935000  
1 1 1 10 15 75  o 5.4820  1.8370 -0.9681000     3.673000  
1 1 1 10 15 76  o 6.6250  2.0330 -2.235000      4.066000  
1 1 1 10 15 77  o 5.0060  1.7040 0.2034000      3.409000  
1 1 1 10 15 78  o 5.2440  1.7590 0.4179000      3.519000  
1 1 1 10 15 79  o 4.7980  1.6470 0.8547000      3.293000  
1 1 1 10 15 80  o 3.8700  1.3590 -0.4826000     2.718000  
1 1 1 10 15 81  o 4.8580  1.5940 0.7510000      3.188000  
1 1 1 10 15 82  o 4.6500  1.5980 0.6381000      3.196000  
1 1 1 10 15 83  o 4.0340  2.0140 ?              ?         
1 1 1 10 16 1   o 38.420  0.6009 1.199000       1.202000  
1 1 1 10 16 2   f 46.830  0.6665 0.5082000      1.333000  
1 1 1 10 16 3   o 27.900  0.5115 2.147000       1.023000  
1 1 1 10 16 4   o 48.400  0.6854 0.8492000      1.371000  
1 1 1 10 16 5   o 32.040  0.5612 0.2861000      1.122000  
1 1 1 10 16 6   o 36.180  0.5289 -0.4435000     1.058000  
1 1 1 10 16 7   o 33.200  0.4946 0.4752000E-01  0.9893000 
1 1 1 10 16 8   o 31.140  0.4742 -0.5787000     0.9483000 
1 1 1 10 16 9   o 19.330  0.5021 -0.7977000     1.004000  
1 1 1 10 16 10  o 19.800  0.3862 -0.2557000     0.7725000 
1 1 1 10 16 11  o 14.250  0.4850 2.765000       0.9699000 
1 1 1 10 16 12  o 27.570  0.5076 0.5382000      1.015000  
1 1 1 10 16 13  o 48.970  0.6942 0.6873000      1.388000  
1 1 1 10 16 14  o 28.770  0.5361 -1.970000      1.072000  
1 1 1 10 16 15  o 49.300  0.7030 0.8619000      1.406000  
1 1 1 10 16 16  o 34.740  0.6815 6.908000       1.363000  
1 1 1 10 16 17  f 21.300  0.5852 2.454000       1.170000  
1 1 1 10 16 18  o 18.040  0.4924 -3.299000      0.9848000 
1 1 1 10 16 19  o 53.290  0.7576 0.2317000      1.515000  
1 1 1 10 16 20  o 13.200  0.5647 -0.3055000     1.129000  
1 1 1 10 16 21  o 46.000  0.7735 2.342000       1.547000  
1 1 1 10 16 22  o 42.930  0.6845 -2.397000      1.369000  
1 1 1 10 16 23  o 26.340  0.5357 -2.257000      1.071000  
1 1 1 10 16 24  o 16.990  0.4640 -2.549000      0.9281000 
1 1 1 10 16 25  f 28.910  0.5681 2.309000       1.136000  
1 1 1 10 16 26  o 17.760  0.5775 -2.319000      1.155000  
1 1 1 10 16 27  o 10.370  0.6685 -2.383000      1.337000  
1 1 1 10 16 28  o 27.010  0.5145 -0.3457000     1.029000  
1 1 1 10 16 29  o 28.380  0.5277 -0.2423000     1.055000  
1 1 1 10 16 30  o 26.610  0.5662 1.098000       1.132000  
1 1 1 10 16 31  o 24.020  0.5624 0.2653000      1.125000  
1 1 1 10 16 32  o 15.300  0.6114 0.8261000      1.223000  
1 1 1 10 16 33  o 19.760  0.5642 -0.9393000     1.128000  
1 1 1 10 16 34  o 16.690  0.6010 0.3202000      1.202000  
1 1 1 10 16 35  o 25.840  0.5793 -1.808000      1.159000  
1 1 1 10 16 36  f 11.450  0.9646 -1.605000      1.929000  
1 1 1 10 16 37  o 11.860  0.7995 -0.7942000     1.599000  
1 1 1 10 16 38  o 20.730  0.5942 1.173000       1.188000  
1 1 1 10 16 39  o 33.500  0.6551 -0.6061000     1.310000  
1 1 1 10 16 40  o 25.490  0.8138 1.120000       1.628000  
1 1 1 10 16 41  o 13.400  0.7540 -0.7328000     1.508000  
1 1 1 10 16 42  o 18.780  0.6514 0.9021000      1.303000  
1 1 1 10 16 43  o 31.230  0.6489 -1.051000      1.298000  
1 1 1 10 16 44  o 11.610  0.8907 0.5611000      1.781000  
1 1 1 10 16 45  o 14.680  0.7545 0.7031000      1.509000  
1 1 1 10 16 46  o 5.5780  1.3600 2.052000       2.721000  
1 1 1 10 16 47  o 5.0580  1.3800 -0.3070000     2.760000  
1 1 1 10 16 48  o 5.2940  1.3920 0.9103000      2.784000  
1 1 1 10 16 49  o 8.6260  1.2450 -1.291000      2.490000  
1 1 1 10 16 50  o 23.230  0.6592 1.073000       1.318000  
1 1 1 10 16 51  o 5.3460  1.4960 3.526000       2.992000  
1 1 1 10 16 52  o 6.7880  1.6200 -0.4112000     3.240000  
1 1 1 10 16 53  o 5.1300  1.4220 -2.298000      2.844000  
1 1 1 10 16 54  o 6.3910  1.6240 2.137000       3.248000  
1 1 1 10 16 55  o 6.1750  1.5890 2.973000       3.177000  
1 1 1 10 16 56  o 6.0790  1.5810 2.723000       3.161000  
1 1 1 10 16 57  o 9.1110  1.4980 0.7154000      2.995000  
1 1 1 10 16 58  o 6.6340  1.6640 2.098000       3.328000  
1 1 1 10 16 59  o 4.4180  1.4230 1.126000       2.847000  
1 1 1 10 16 60  o 4.9020  1.4970 0.9281000E-01  2.994000  
1 1 1 10 16 61  o 5.0270  1.5470 1.953000       3.094000  
1 1 1 10 16 62  o 13.390  1.3250 -1.895000      2.650000  
1 1 1 10 16 63  f 8.6950  1.6840 -0.1969000     3.367000  
1 1 1 10 16 64  o 6.5080  1.9060 0.5843000      3.812000  
1 1 1 10 16 65  o 4.9420  1.6430 -1.524000      3.286000  
1 1 1 10 16 66  o 5.8020  1.7980 -2.258000      3.596000  
1 1 1 10 16 67  o 6.3210  1.8790 -0.4915000     3.759000  
1 1 1 10 16 68  o 5.1660  1.6960 -0.4656000     3.393000  
1 1 1 10 16 69  o 5.6870  1.8030 -1.314000      3.606000  
1 1 1 10 16 70  o 4.9350  1.6450 -0.3569000     3.289000  
1 1 1 10 16 71  o 4.1200  1.4400 0.4259000E-02  2.881000  
1 1 1 10 16 72  o 6.6570  2.0000 -2.079000      3.999000  
1 1 1 10 16 73  o 5.4120  1.8010 0.4436000      3.602000  
1 1 1 10 16 74  o 7.2050  2.1410 -0.1612000     4.283000  
1 1 1 10 16 75  o 5.4640  1.8060 1.247000       3.612000  
1 1 1 10 16 76  o 4.3410  1.5130 -0.9608000E-03 3.026000  
1 1 1 10 16 77  o 4.5710  1.5750 -0.7920000     3.151000  
1 1 1 10 16 78  o 3.8430  1.3600 0.7728000      2.720000  
1 1 1 10 16 79  o 4.5190  1.5140 0.4851000      3.029000  
1 1 1 10 16 80  o 4.8500  1.6660 -1.756000      3.331000  
1 1 1 10 16 81  o 3.6120  1.8200 ?              ?         
1 1 1 10 17 0   o 44.030  0.8942 -0.000000      0.000000  
1 1 1 10 17 1   o 19.670  0.5767 0.9467000      1.153000  
1 1 1 10 17 2   o 29.380  0.4579 -2.162000      0.9158000 
1 1 1 10 17 3   o 23.980  0.4152 2.019000       0.8304000 
1 1 1 10 17 4   o 23.110  0.5108 -1.724000      1.022000  
1 1 1 10 17 5   o 41.640  0.6012 0.9226000      1.202000  
1 1 1 10 17 6   o 12.840  0.7332 -7.023000      1.466000  
1 1 1 10 17 7   f 25.320  0.4221 0.4865000      0.8443000 
1 1 1 10 17 8   o 15.990  0.5272 -0.2541000     1.054000  
1 1 1 10 17 9   o 15.990  0.4762 -2.241000      0.9523000 
1 1 1 10 17 10  o 46.620  0.6685 2.740000       1.337000  
1 1 1 10 17 11  o 52.490  0.7464 -0.8006000     1.493000  
1 1 1 10 17 12  o 17.990  0.6046 -1.749000      1.209000  
1 1 1 10 17 13  f 15.870  0.4145 0.6407000      0.8289000 
1 1 1 10 17 14  o 15.150  0.4288 -1.070000      0.8576000 
1 1 1 10 17 15  o 15.800  0.4264 -0.1836000E-01 0.8529000 
1 1 1 10 17 16  o 21.200  0.4583 -1.124000      0.9166000 
1 1 1 10 17 17  o 30.580  0.5289 1.456000       1.058000  
1 1 1 10 17 18  o 19.190  0.4990 -2.819000      0.9981000 
1 1 1 10 17 19  o 14.240  0.4682 -0.1514000     0.9364000 
1 1 1 10 17 20  f 10.920  0.5709 -2.418000      1.142000  
1 1 1 10 17 21  o 25.600  0.4581 0.3861000      0.9162000 
1 1 1 10 17 22  o 42.350  0.6722 -0.3839000     1.344000  
1 1 1 10 17 23  o 12.140  0.7541 -4.824000      1.508000  
1 1 1 10 17 24  o 36.680  0.6528 1.436000       1.306000  
1 1 1 10 17 25  o 17.660  0.6031 -2.040000      1.206000  
1 1 1 10 17 26  o 27.360  0.5224 1.402000       1.045000  
1 1 1 10 17 27  f 25.540  0.5506 -4.917000      1.101000  
1 1 1 10 17 28  o 33.120  0.5765 1.052000       1.153000  
1 1 1 10 17 29  o 40.460  0.6609 -1.741000      1.322000  
1 1 1 10 17 30  o 17.700  0.6377 -5.084000      1.275000  
1 1 1 10 17 31  o 21.260  0.5728 0.8602000      1.146000  
1 1 1 10 17 32  o 11.790  0.7576 0.2816000E-01  1.515000  
1 1 1 10 17 33  o 8.3510  1.0630 -0.1405000     2.126000  
1 1 1 10 17 34  o 33.510  0.6345 0.1019000E-01  1.269000  
1 1 1 10 17 35  o 15.650  0.8721 -3.236000      1.744000  
1 1 1 10 17 36  o 8.1400  1.0950 -1.274000      2.190000  
1 1 1 10 17 37  o 17.880  0.6127 -0.3939000     1.225000  
1 1 1 10 17 38  o 22.260  0.6012 -1.979000      1.202000  
1 1 1 10 17 39  o 9.6950  1.0150 2.155000       2.030000  
1 1 1 10 17 40  o 11.020  0.8683 -0.4106000     1.737000  
1 1 1 10 17 41  o 20.190  0.6259 -0.7785000     1.252000  
1 1 1 10 17 42  o 29.240  0.7448 -3.170000      1.490000  
1 1 1 10 17 43  o 19.430  0.7539 -3.148000      1.508000  
1 1 1 10 17 44  o 10.810  0.9512 -0.4235000     1.902000  
1 1 1 10 17 45  o 6.6760  1.3310 -1.780000      2.661000  
1 1 1 10 17 46  o 4.5510  1.3180 -1.458000      2.636000  
1 1 1 10 17 47  o 17.430  0.7040 1.746000       1.408000  
1 1 1 10 17 48  f 17.790  0.7062 1.353000       1.412000  
1 1 1 10 17 49  o 15.740  0.7706 1.476000       1.541000  
1 1 1 10 17 50  o 14.620  0.8077 0.1863000      1.615000  
1 1 1 10 17 51  o 9.8090  1.2890 2.949000       2.578000  
1 1 1 10 17 52  o 4.9810  1.3850 0.3111000      2.770000  
1 1 1 10 17 53  o 14.450  0.8032 0.6721000      1.606000  
1 1 1 10 17 54  o 4.1360  1.2720 0.4148000E-01  2.545000  
1 1 1 10 17 55  o 10.470  1.0880 0.2385000      2.176000  
1 1 1 10 17 56  o 5.9800  1.5690 0.5325000E-01  3.137000  
1 1 1 10 17 57  o 7.5840  1.5990 2.320000       3.199000  
1 1 1 10 17 58  o 4.5010  1.4320 1.107000       2.863000  
1 1 1 10 17 59  o 5.2300  1.5360 2.444000       3.071000  
1 1 1 10 17 60  f 8.0410  1.5940 3.622000       3.188000  
1 1 1 10 17 61  o 5.9350  1.5810 -0.9378000     3.162000  
1 1 1 10 17 62  o 4.3590  1.4260 1.367000       2.852000  
1 1 1 10 17 63  f 4.4890  1.4340 0.1081000      2.867000  
1 1 1 10 17 64  o 3.9540  1.3000 -0.7194000     2.601000  
1 1 1 10 17 65  o 4.6990  1.4920 0.4793000      2.984000  
1 1 1 10 17 66  o 5.3850  1.5650 -0.5168000     3.130000  
1 1 1 10 17 67  o 6.8600  1.6920 4.393000       3.385000  
1 1 1 10 17 68  o 4.6910  1.4020 -0.9819000     2.805000  
1 1 1 10 17 69  o 7.2010  2.0100 -1.368000      4.020000  
1 1 1 10 17 70  f 4.7440  1.6040 -0.6885000     3.208000  
1 1 1 10 17 71  o 5.0700  1.6790 -1.099000      3.358000  
1 1 1 10 17 72  o 6.0380  1.8580 -0.9021000     3.716000  
1 1 1 10 17 73  o 4.2910  1.4750 -0.5554000     2.949000  
1 1 1 10 17 74  o 4.2900  1.4700 -1.610000      2.941000  
1 1 1 10 17 75  o 4.6480  1.5600 0.1772000      3.121000  
1 1 1 10 17 76  o 3.7950  1.3170 0.1119000      2.634000  
1 1 1 10 17 77  o 4.3700  1.4270 -0.2700000     2.855000  
1 1 1 10 17 78  o 4.1600  1.4250 0.7601000      2.850000  
1 1 1 10 17 79  f 3.5960  1.8160 ?              ?         
1 1 1 10 18 0   o 23.870  0.5928 0.000000       0.000000  
1 1 1 10 18 1   o 15.760  0.5604 0.4905000E-01  1.121000  
1 1 1 10 18 2   o 26.370  0.4388 -1.152000      0.8777000 
1 1 1 10 18 3   o 28.510  0.4555 -0.8541000     0.9111000 
1 1 1 10 18 4   o 21.260  0.4430 1.462000       0.8860000 
1 1 1 10 18 5   o 31.770  0.5276 -0.4484000     1.055000  
1 1 1 10 18 6   o 26.930  0.4421 -0.1860000     0.8842000 
1 1 1 10 18 7   o 20.710  0.4773 2.565000       0.9546000 
1 1 1 10 18 8   o 11.680  0.5811 0.5582000      1.162000  
1 1 1 10 18 9   o 27.110  0.4458 -1.208000      0.8915000 
1 1 1 10 18 10  o 29.770  0.5495 -0.4164000     1.099000  
1 1 1 10 18 11  f 53.570  0.8211 0.3317000      1.642000  
1 1 1 10 18 12  o 44.460  0.7523 0.2057000      1.505000  
1 1 1 10 18 13  o 40.250  0.5936 -0.5123000     1.187000  
1 1 1 10 18 14  o 18.800  0.5651 -9.210000      1.130000  
1 1 1 10 18 15  o 11.050  0.8069 4.559000       1.614000  
1 1 1 10 18 16  o 28.930  0.5116 -1.084000      1.023000  
1 1 1 10 18 17  o 17.710  0.4773 2.567000       0.9546000 
1 1 1 10 18 18  o 12.710  0.6173 0.4739000E-01  1.235000  
1 1 1 10 18 19  o 8.9510  0.8017 -3.395000      1.603000  
1 1 1 10 18 20  o 30.410  0.4911 -1.141000      0.9823000 
1 1 1 10 18 21  o 25.620  0.5399 -2.046000      1.080000  
1 1 1 10 18 22  o 16.440  0.4678 0.3141000      0.9357000 
1 1 1 10 18 23  o 26.430  0.4680 0.8182000      0.9360000 
1 1 1 10 18 24  o 33.160  0.5258 -1.004000      1.052000  
1 1 1 10 18 25  o 31.930  0.5590 -0.5064000     1.118000  
1 1 1 10 18 26  o 7.6690  1.1340 -2.907000      2.268000  
1 1 1 10 18 27  o 31.690  0.5590 1.200000       1.118000  
1 1 1 10 18 28  o 22.150  0.6189 -2.915000      1.238000  
1 1 1 10 18 29  o 22.450  0.5052 0.2588000      1.010000  
1 1 1 10 18 30  o 12.100  0.6499 -3.315000      1.300000  
1 1 1 10 18 31  o 9.6350  0.8106 -0.3269000     1.621000  
1 1 1 10 18 32  o 15.620  0.5654 -1.339000      1.131000  
1 1 1 10 18 33  o 32.920  0.6382 0.8323000      1.276000  
1 1 1 10 18 34  o 21.930  0.7751 -1.908000      1.550000  
1 1 1 10 18 35  o 44.030  0.8932 3.716000       1.786000  
1 1 1 10 18 36  o 18.820  0.7939 -1.284000      1.588000  
1 1 1 10 18 37  o 6.9280  1.3150 -0.1864000     2.630000  
1 1 1 10 18 38  o 12.040  0.8072 0.2269000      1.614000  
1 1 1 10 18 39  o 25.600  0.6091 -0.6906000     1.218000  
1 1 1 10 18 40  o 20.160  0.7125 2.805000       1.425000  
1 1 1 10 18 41  o 6.5680  1.3520 -0.9792000     2.703000  
1 1 1 10 18 42  o 4.4120  1.2180 2.685000       2.436000  
1 1 1 10 18 43  f 17.950  0.6729 0.2314000      1.346000  
1 1 1 10 18 44  o 6.0900  1.3880 2.063000       2.775000  
1 1 1 10 18 45  o 8.1520  1.2720 1.932000       2.545000  
1 1 1 10 18 46  o 5.5680  1.3310 -3.399000      2.661000  
1 1 1 10 18 47  o 7.9300  1.2960 1.928000       2.592000  
1 1 1 10 18 48  o 5.4750  1.4200 -0.8404000     2.839000  
1 1 1 10 18 49  o 14.520  0.7867 1.466000       1.573000  
1 1 1 10 18 50  o 6.5710  1.3940 -0.3154000     2.787000  
1 1 1 10 18 51  o 5.3620  1.3620 -1.584000      2.723000  
1 1 1 10 18 52  o 7.9450  1.3430 1.609000       2.686000  
1 1 1 10 18 53  o 5.8230  1.4160 0.5590000      2.831000  
1 1 1 10 18 54  o 8.0800  1.2690 -3.148000      2.537000  
1 1 1 10 18 55  o 7.7220  1.3630 0.5143000      2.726000  
1 1 1 10 18 56  o 4.7680  1.3630 -0.2249000     2.726000  
1 1 1 10 18 57  o 10.300  1.1400 -2.344000      2.279000  
1 1 1 10 18 58  o 4.8310  1.3880 -0.8052000     2.775000  
1 1 1 10 18 59  o 6.3670  1.4500 -0.3916000     2.900000  
1 1 1 10 18 60  o 6.7000  1.6480 -0.4519000     3.296000  
1 1 1 10 18 61  o 6.0650  1.5780 -1.628000      3.157000  
1 1 1 10 18 62  o 5.2900  1.5650 0.7189000      3.129000  
1 1 1 10 18 63  o 5.7840  1.5280 -1.630000      3.056000  
1 1 1 10 18 64  o 9.2420  1.5580 2.355000       3.117000  
1 1 1 10 18 65  o 7.2320  1.6530 -0.4403000     3.305000  
1 1 1 10 18 66  o 5.5990  1.4520 -2.599000      2.905000  
1 1 1 10 18 67  o 4.7050  1.4720 0.4768000E-05  2.944000  
1 1 1 10 18 68  o 4.3480  1.4310 1.455000       2.862000  
1 1 1 10 18 69  o 6.2310  1.6330 -0.6735000     3.267000  
1 1 1 10 18 70  o 5.4210  1.5590 -0.3645000     3.118000  
1 1 1 10 18 71  o 4.6800  1.4910 1.790000       2.981000  
1 1 1 10 18 72  o 4.4010  1.4340 0.8698000      2.867000  
1 1 1 10 18 73  o 3.8600  1.3160 1.181000       2.632000  
1 1 1 10 18 74  o 4.0360  1.3690 0.2326000      2.737000  
1 1 1 10 18 75  o 4.3160  1.4270 -1.025000      2.855000  
1 1 1 10 18 76  o 4.4750  2.1670 ?              ?         
1 1 1 10 19 0   o 25.710  0.6308 -0.000000      0.000000  
1 1 1 10 19 1   o 38.470  0.5693 -0.3092000     1.139000  
1 1 1 10 19 2   o 38.590  0.6598 -0.8532000     1.320000  
1 1 1 10 19 3   o 16.110  0.4728 -0.1270000     0.9456000 
1 1 1 10 19 4   o 18.150  0.4572 1.086000       0.9145000 
1 1 1 10 19 5   o 34.710  0.6562 5.164000       1.312000  
1 1 1 10 19 6   o 56.680  0.8027 1.152000       1.605000  
1 1 1 10 19 7   o 26.800  0.6044 -3.665000      1.209000  
1 1 1 10 19 8   o 16.150  0.6292 -2.858000      1.258000  
1 1 1 10 19 9   o 38.800  0.5733 -0.7611000     1.147000  
1 1 1 10 19 10  o 19.960  0.5991 -5.339000      1.198000  
1 1 1 10 19 11  o 37.650  0.5615 -0.4855000     1.123000  
1 1 1 10 19 12  o 20.350  0.5918 0.6182000E-01  1.184000  
1 1 1 10 19 13  o 10.850  0.6414 2.493000       1.283000  
1 1 1 10 19 14  o 19.310  0.4611 0.9507000      0.9221000 
1 1 1 10 19 15  o 13.910  0.5779 0.6937000      1.156000  
1 1 1 10 19 16  o 21.630  0.4723 -2.986000      0.9446000 
1 1 1 10 19 17  o 15.950  0.4710 -1.303000      0.9420000 
1 1 1 10 19 18  o 28.670  0.4772 1.067000       0.9543000 
1 1 1 10 19 19  o 19.750  0.4823 0.9850000      0.9647000 
1 1 1 10 19 20  o 30.540  0.5024 1.220000       1.005000  
1 1 1 10 19 21  o 26.200  0.5152 -2.988000      1.030000  
1 1 1 10 19 22  o 20.280  0.4544 0.5193000      0.9088000 
1 1 1 10 19 23  o 25.130  0.4701 1.579000       0.9402000 
1 1 1 10 19 24  o 11.580  0.6856 0.1296000E-02  1.371000  
1 1 1 10 19 25  o 10.430  0.6518 -0.6015000     1.304000  
1 1 1 10 19 26  o 23.020  0.5010 -0.6472000     1.002000  
1 1 1 10 19 27  o 29.120  0.5442 0.1809000      1.088000  
1 1 1 10 19 28  o 13.360  0.7214 1.734000       1.443000  
1 1 1 10 19 29  o 17.600  0.5463 -0.3084000     1.093000  
1 1 1 10 19 30  f 17.120  0.5490 -0.8784000     1.098000  
1 1 1 10 19 31  f 27.910  0.5440 0.4873000      1.088000  
1 1 1 10 19 32  o 7.4810  1.3140 -3.293000      2.627000  
1 1 1 10 19 33  o 32.450  0.5920 1.879000       1.184000  
1 1 1 10 19 34  o 27.750  0.6044 -0.4403000     1.209000  
1 1 1 10 19 35  f 6.3980  1.3200 0.1987000      2.640000  
1 1 1 10 19 36  o 6.7710  1.3000 0.6189000      2.600000  
1 1 1 10 19 37  o 19.510  0.6234 0.6984000      1.247000  
1 1 1 10 19 38  o 9.4790  1.0860 -0.1130000     2.172000  
1 1 1 10 19 39  o 5.2310  1.3670 0.7345000      2.735000  
1 1 1 10 19 40  f 5.6870  1.3780 0.9628000      2.756000  
1 1 1 10 19 41  o 14.670  0.7720 0.7823000      1.544000  
1 1 1 10 19 42  o 3.9120  1.2350 -0.6135000E-01 2.470000  
1 1 1 10 19 43  o 7.8310  1.3130 0.1662000      2.627000  
1 1 1 10 19 44  o 5.0990  1.3720 0.1392000      2.745000  
1 1 1 10 19 45  o 12.790  0.8569 -2.558000      1.714000  
1 1 1 10 19 46  o 4.7860  1.3450 -0.5910000     2.689000  
1 1 1 10 19 47  o 13.750  0.7753 -0.5494000     1.551000  
1 1 1 10 19 48  o 10.910  0.9614 1.537000       1.923000  
1 1 1 10 19 49  o 7.8030  1.2580 -0.8286000     2.516000  
1 1 1 10 19 50  f 14.810  0.7726 0.2738000      1.545000  
1 1 1 10 19 51  o 10.220  1.0850 -0.9902000     2.170000  
1 1 1 10 19 52  o 4.1360  1.2670 1.074000       2.534000  
1 1 1 10 19 53  o 10.480  1.0370 -1.791000      2.075000  
1 1 1 10 19 54  f 10.500  1.0530 1.267000       2.106000  
1 1 1 10 19 55  o 17.260  0.7546 -0.4863000     1.509000  
1 1 1 10 19 56  o 6.3860  1.4350 0.8366000      2.870000  
1 1 1 10 19 57  o 4.7720  1.3820 -0.1055000     2.764000  
1 1 1 10 19 58  o 3.7990  1.2260 -0.3685000     2.452000  
1 1 1 10 19 59  o 4.4500  1.3290 0.5400000      2.659000  
1 1 1 10 19 60  f 5.5390  1.4420 -1.420000      2.884000  
1 1 1 10 19 61  o 4.0320  1.2810 -0.3799000     2.562000  
1 1 1 10 19 62  o 4.0470  1.2750 -0.5206000     2.550000  
1 1 1 10 19 63  o 5.6850  1.4670 0.3780000E-02  2.935000  
1 1 1 10 19 64  o 4.0980  1.2740 -0.6787000     2.548000  
1 1 1 10 19 65  o 4.2300  1.4050 1.476000       2.811000  
1 1 1 10 19 66  o 4.7140  1.4500 -0.6939000     2.900000  
1 1 1 10 19 67  o 4.3130  1.3840 0.1948000E-01  2.769000  
1 1 1 10 19 68  o 4.3770  1.4080 0.5478000      2.816000  
1 1 1 10 19 69  o 3.8640  1.2750 -0.5620000     2.550000  
1 1 1 10 19 70  o 4.5910  1.4510 0.3115000      2.903000  
1 1 1 10 19 71  o 4.1850  1.3380 -0.8246000     2.676000  
1 1 1 10 19 72  o 3.4220  1.1580 -0.5731000     2.315000  
1 1 1 10 19 73  o 3.8790  1.2850 -0.4985000     2.569000  
1 1 1 10 19 74  o 4.6710  1.6010 -1.138000      3.202000  
1 1 1 10 20 0   o 6.9700  1.2690 0.000000       0.000000  
1 1 1 10 20 1   o 8.8730  0.6438 0.2800000      1.288000  
1 1 1 10 20 2   o 11.860  0.5671 -2.013000      1.134000  
1 1 1 10 20 3   o 17.360  0.4345 -0.7737000E-01 0.8690000 
1 1 1 10 20 4   o 15.310  0.6611 -6.116000      1.322000  
1 1 1 10 20 5   o 34.560  0.5720 0.7914000      1.144000  
1 1 1 10 20 6   o 17.420  0.5627 4.928000       1.125000  
1 1 1 10 20 7   o 16.370  0.4535 -0.3054000     0.9070000 
1 1 1 10 20 8   o 22.640  0.4355 -0.4802000     0.8711000 
1 1 1 10 20 9   o 24.080  0.4431 -0.4457000     0.8862000 
1 1 1 10 20 10  o 24.570  0.4876 -0.7198000     0.9751000 
1 1 1 10 20 11  o 25.040  0.5255 -2.103000      1.051000  
1 1 1 10 20 12  o 24.590  0.4890 -0.6522000     0.9781000 
1 1 1 10 20 13  o 23.500  0.4449 1.221000       0.8899000 
1 1 1 10 20 14  o 12.120  0.6907 6.667000       1.381000  
1 1 1 10 20 15  f 10.750  0.5919 0.1028000      1.184000  
1 1 1 10 20 16  o 18.880  0.4554 0.9724000      0.9108000 
1 1 1 10 20 17  f 24.930  0.4614 -0.6580000     0.9228000 
1 1 1 10 20 18  o 38.560  0.5832 0.8766000      1.166000  
1 1 1 10 20 19  o 23.410  0.4957 1.155000       0.9913000 
1 1 1 10 20 20  o 19.240  0.4974 0.7091000      0.9948000 
1 1 1 10 20 21  o 27.990  0.4857 -1.314000      0.9714000 
1 1 1 10 20 22  o 13.450  0.7311 -5.774000      1.462000  
1 1 1 10 20 23  o 12.370  0.5829 -0.4735000     1.166000  
1 1 1 10 20 24  o 14.200  0.5394 1.015000       1.079000  
1 1 1 10 20 25  f 20.610  0.4692 0.5643000      0.9384000 
1 1 1 10 20 26  o 10.020  0.7704 3.158000       1.541000  
1 1 1 10 20 27  o 12.020  0.6706 -1.429000      1.341000  
1 1 1 10 20 28  o 20.340  0.5213 0.4989000      1.043000  
1 1 1 10 20 29  o 17.040  0.5518 -0.5027000     1.104000  
1 1 1 10 20 30  o 20.010  0.5342 -1.834000      1.068000  
1 1 1 10 20 31  o 23.350  0.5464 -0.5487000     1.093000  
1 1 1 10 20 32  o 19.850  0.6703 2.613000       1.341000  
1 1 1 10 20 33  o 11.630  0.8134 -0.2676000     1.627000  
1 1 1 10 20 34  o 7.6760  1.1990 -2.239000      2.398000  
1 1 1 10 20 35  o 21.500  0.6167 0.5177000      1.233000  
1 1 1 10 20 36  o 16.580  0.6786 -0.7751000     1.357000  
1 1 1 10 20 37  o 4.7440  1.3190 -1.458000      2.638000  
1 1 1 10 20 38  o 22.520  0.6286 0.2607000      1.257000  
1 1 1 10 20 39  f 8.4290  1.2170 1.354000       2.434000  
1 1 1 10 20 40  o 4.3270  1.2860 -0.7854000     2.571000  
1 1 1 10 20 41  o 5.8200  1.2240 4.024000       2.448000  
1 1 1 10 20 42  o 4.3760  1.2830 0.9465000      2.566000  
1 1 1 10 20 43  o 5.6730  1.3750 0.6128000      2.749000  
1 1 1 10 20 44  o 5.6840  1.3790 1.150000       2.758000  
1 1 1 10 20 45  o 9.6900  1.0340 -0.1971000     2.067000  
1 1 1 10 20 46  o 15.130  0.7252 -0.7208000     1.450000  
1 1 1 10 20 47  o 9.4630  1.0660 2.005000       2.132000  
1 1 1 10 20 48  o 9.7550  1.0420 -0.8392000     2.083000  
1 1 1 10 20 49  o 5.6830  1.4040 -0.3856000     2.808000  
1 1 1 10 20 50  o 5.7920  1.3840 1.160000       2.769000  
1 1 1 10 20 51  o 4.6170  1.3400 -0.6259000     2.680000  
1 1 1 10 20 52  o 12.310  0.9156 0.7147000      1.831000  
1 1 1 10 20 53  o 6.8450  1.4040 -1.811000      2.808000  
1 1 1 10 20 54  o 3.8280  1.2180 -1.070000      2.436000  
1 1 1 10 20 55  o 6.5580  1.3570 3.114000       2.714000  
1 1 1 10 20 56  o 6.7010  1.4660 -0.2451000     2.932000  
1 1 1 10 20 57  o 4.5880  1.3040 -2.144000      2.608000  
1 1 1 10 20 58  f 4.5840  1.3260 -1.437000      2.652000  
1 1 1 10 20 59  o 4.7930  1.3750 0.9342000E-01  2.750000  
1 1 1 10 20 60  o 4.0130  1.2690 0.1872000      2.539000  
1 1 1 10 20 61  o 3.5980  1.1830 0.9154000      2.367000  
1 1 1 10 20 62  o 3.5960  1.1730 -0.5278000     2.346000  
1 1 1 10 20 63  o 3.4850  1.1670 1.221000       2.333000  
1 1 1 10 20 64  o 4.3890  1.3210 -0.7687000     2.642000  
1 1 1 10 20 65  o 3.2570  1.1040 0.7627000      2.207000  
1 1 1 10 20 66  o 5.7710  1.4820 -0.2526000     2.964000  
1 1 1 10 20 67  o 4.2130  1.3050 1.539000       2.610000  
1 1 1 10 20 68  o 4.7890  1.3680 -1.594000      2.737000  
1 1 1 10 20 69  o 3.3890  1.1310 0.3310000      2.263000  
1 1 1 10 20 70  o 4.9490  1.4150 -1.423000      2.831000  
1 1 1 10 20 71  o 4.3520  1.4740 0.4842000      2.948000  
1 1 1 10 21 0   o 23.440  0.6325 0.000000       0.000000  
1 1 1 10 21 1   o 17.220  0.4436 0.7040000      0.8872000 
1 1 1 10 21 2   o 9.8190  0.7393 1.333000       1.479000  
1 1 1 10 21 3   o 9.8710  0.6417 -1.621000      1.283000  
1 1 1 10 21 4   o 9.4230  0.8664 -2.792000      1.733000  
1 1 1 10 21 5   o 23.050  0.4828 -2.408000      0.9656000 
1 1 1 10 21 6   o 28.780  0.4808 -0.5265000     0.9617000 
1 1 1 10 21 7   o 15.660  0.5530 -0.1171000     1.106000  
1 1 1 10 21 8   o 34.210  0.5769 -2.347000      1.154000  
1 1 1 10 21 9   o 19.090  0.5027 3.578000       1.005000  
1 1 1 10 21 10  o 11.840  0.5675 -0.3386000     1.135000  
1 1 1 10 21 11  o 6.4530  0.9517 1.325000       1.903000  
1 1 1 10 21 12  o 13.160  0.5281 0.6795000      1.056000  
1 1 1 10 21 13  o 21.090  0.4416 0.5873000      0.8831000 
1 1 1 10 21 14  o 21.020  0.4526 1.772000       0.9052000 
1 1 1 10 21 15  o 10.440  0.7035 2.908000       1.407000  
1 1 1 10 21 16  o 11.710  0.5818 -0.2587000     1.164000  
1 1 1 10 21 17  f 9.4320  0.6949 0.8423000      1.390000  
1 1 1 10 21 18  o 6.3630  0.9996 0.2685000      1.999000  
1 1 1 10 21 19  f 9.9940  0.6881 -0.6951000     1.376000  
1 1 1 10 21 20  o 24.530  0.4690 -0.9420000     0.9381000 
1 1 1 10 21 21  o 24.980  0.4766 1.040000       0.9532000 
1 1 1 10 21 22  o 15.360  0.5656 3.168000       1.131000  
1 1 1 10 21 23  o 24.350  0.4809 0.8848000      0.9618000 
1 1 1 10 21 24  o 8.8090  1.0420 -0.9786000     2.083000  
1 1 1 10 21 25  o 27.990  0.5000 -1.576000      1.000000  
1 1 1 10 21 26  o 20.290  0.6011 -3.937000      1.202000  
1 1 1 10 21 27  o 8.7750  0.8676 -1.822000      1.735000  
1 1 1 10 21 28  o 12.090  0.7267 0.3633000      1.453000  
1 1 1 10 21 29  o 21.220  0.5461 1.411000       1.092000  
1 1 1 10 21 30  o 19.390  0.5693 -0.1013000     1.139000  
1 1 1 10 21 31  o 12.430  0.7335 -1.590000      1.467000  
1 1 1 10 21 32  o 21.660  0.5502 0.2562000      1.100000  
1 1 1 10 21 33  f 27.560  0.5714 -2.407000      1.143000  
1 1 1 10 21 34  o 13.640  0.7999 -0.5921000     1.600000  
1 1 1 10 21 35  o 9.8070  0.9318 1.035000       1.864000  
1 1 1 10 21 36  f 15.550  0.6831 0.1896000      1.366000  
1 1 1 10 21 37  o 5.4650  1.3440 0.2206000      2.687000  
1 1 1 10 21 38  f 5.4560  1.2740 2.812000       2.548000  
1 1 1 10 21 39  o 6.3820  1.3200 -2.226000      2.639000  
1 1 1 10 21 40  o 4.5890  1.3070 -0.5188000E-01 2.614000  
1 1 1 10 21 41  o 6.7200  1.2760 2.949000       2.552000  
1 1 1 10 21 42  o 7.5170  1.2970 0.4051000      2.593000  
1 1 1 10 21 43  o 7.9710  1.2510 0.2958000E-01  2.502000  
1 1 1 10 21 44  o 4.5090  1.2630 1.581000       2.526000  
1 1 1 10 21 45  o 3.9630  1.2180 -0.9210000     2.435000  
1 1 1 10 21 46  o 15.670  0.7273 -0.6367000     1.455000  
1 1 1 10 21 47  o 9.4250  1.1480 -1.300000      2.296000  
1 1 1 10 21 48  o 11.570  0.9459 -2.084000      1.892000  
1 1 1 10 21 49  o 13.330  0.8464 0.8958000      1.693000  
1 1 1 10 21 50  o 6.4510  1.4260 0.5715000      2.852000  
1 1 1 10 21 51  o 5.6270  1.3470 2.617000       2.694000  
1 1 1 10 21 52  o 5.5430  1.3420 -2.974000      2.683000  
1 1 1 10 21 53  o 7.8140  1.3210 0.4562000      2.642000  
1 1 1 10 21 54  o 3.8310  1.2240 -0.3975000     2.449000  
1 1 1 10 21 55  o 4.5740  1.3380 -0.7452000     2.677000  
1 1 1 10 21 56  f 4.7150  1.3780 0.5295000      2.756000  
1 1 1 10 21 57  o 3.9370  1.2510 -0.1148000     2.503000  
1 1 1 10 21 58  o 4.7260  1.3530 0.5656000      2.706000  
1 1 1 10 21 59  o 6.1040  1.4440 0.2467000E-02  2.889000  
1 1 1 10 21 60  o 7.1410  1.4160 -1.568000      2.831000  
1 1 1 10 21 61  o 3.8610  1.2270 0.8603000      2.453000  
1 1 1 10 21 62  o 3.8500  1.2390 -0.1522000     2.477000  
1 1 1 10 21 63  o 5.8830  1.3960 -2.431000      2.791000  
1 1 1 10 21 64  o 7.9670  1.3640 2.940000       2.727000  
1 1 1 10 21 65  o 4.0010  1.2600 -0.8041000     2.520000  
1 1 1 10 21 66  f 3.7580  1.2120 -0.5015000     2.425000  
1 1 1 10 21 67  o 3.6490  1.1800 0.3638000      2.359000  
1 1 1 10 21 68  o 5.5480  1.4600 -1.972000      2.920000  
1 1 1 10 21 69  o 3.2550  1.6700 ?              ?         
1 1 1 10 22 0   o 55.640  1.1230 0.000000       0.000000  
1 1 1 10 22 1   o 23.030  0.6755 -1.655000      1.351000  
1 1 1 10 22 2   o 12.500  0.5978 0.6098000      1.196000  
1 1 1 10 22 3   o 10.400  0.6110 -1.095000      1.222000  
1 1 1 10 22 4   o 10.280  0.6391 1.649000       1.278000  
1 1 1 10 22 5   o 11.980  0.5622 -0.8078000     1.124000  
1 1 1 10 22 6   o 26.310  0.4640 0.8192000      0.9279000 
1 1 1 10 22 7   o 28.010  0.5171 0.4641000      1.034000  
1 1 1 10 22 8   f 27.990  0.5176 -0.3645000     1.035000  
1 1 1 10 22 9   o 16.050  0.6017 3.441000       1.203000  
1 1 1 10 22 10  o 10.390  0.6317 0.7268000      1.263000  
1 1 1 10 22 11  o 17.370  0.4704 1.609000       0.9408000 
1 1 1 10 22 12  o 21.890  0.4926 1.029000       0.9852000 
1 1 1 10 22 13  o 11.540  0.7138 2.460000       1.428000  
1 1 1 10 22 14  o 15.480  0.4892 -0.3249000     0.9783000 
1 1 1 10 22 15  o 11.520  0.5833 -0.3168000     1.167000  
1 1 1 10 22 16  o 24.040  0.4619 0.6626000E-01  0.9238000 
1 1 1 10 22 17  o 16.410  0.5390 2.743000       1.078000  
1 1 1 10 22 18  o 16.230  0.4900 0.5735000      0.9800000 
1 1 1 10 22 19  o 23.650  0.4670 -0.8613000     0.9340000 
1 1 1 10 22 20  o 24.070  0.5119 -2.268000      1.024000  
1 1 1 10 22 21  o 13.730  0.5537 0.8204000      1.107000  
1 1 1 10 22 22  o 5.2130  1.1330 -0.5592000     2.266000  
1 1 1 10 22 23  o 10.820  0.6467 -0.2907000     1.293000  
1 1 1 10 22 24  o 5.7740  1.1480 -1.836000      2.297000  
1 1 1 10 22 25  o 25.680  0.4847 0.1779000      0.9694000 
1 1 1 10 22 26  o 9.9530  0.8869 -0.9633000     1.774000  
1 1 1 10 22 27  o 12.080  0.6297 -1.720000      1.259000  
1 1 1 10 22 28  f 11.390  0.7472 -3.788000      1.494000  
1 1 1 10 22 29  o 8.8650  0.9402 -1.175000      1.880000  
1 1 1 10 22 30  o 6.8750  1.1570 -1.840000      2.315000  
1 1 1 10 22 31  o 6.7710  1.1500 1.083000       2.301000  
1 1 1 10 22 32  o 5.8240  1.2260 -1.552000      2.452000  
1 1 1 10 22 33  o 7.3650  1.1140 -1.883000      2.228000  
1 1 1 10 22 34  o 3.4550  1.1000 -0.9526000     2.200000  
1 1 1 10 22 35  o 9.3610  0.9309 -1.063000      1.862000  
1 1 1 10 22 36  o 4.4630  1.2430 -0.6732000     2.486000  
1 1 1 10 22 37  o 7.7740  1.2490 -0.9903000     2.497000  
1 1 1 10 22 38  o 16.560  0.6707 -0.8551000     1.341000  
1 1 1 10 22 39  o 7.1960  1.2930 1.493000       2.586000  
1 1 1 10 22 40  o 3.2540  1.0840 -0.3872000     2.169000  
1 1 1 10 22 41  o 9.7000  1.0730 -4.314000      2.146000  
1 1 1 10 22 42  o 9.3350  1.0820 -1.411000      2.163000  
1 1 1 10 22 43  o 7.4660  1.2880 0.1054000E-01  2.577000  
1 1 1 10 22 44  o 7.6130  1.2560 -0.9136000     2.511000  
1 1 1 10 22 45  o 4.9890  1.3500 -0.6927000     2.700000  
1 1 1 10 22 46  o 9.8140  1.0390 0.3009000      2.079000  
1 1 1 10 22 47  o 7.7490  1.2700 0.1958000      2.540000  
1 1 1 10 22 48  o 6.0920  1.4180 0.3416000      2.837000  
1 1 1 10 22 49  o 5.0500  1.3940 0.1893000      2.787000  
1 1 1 10 22 50  o 4.9640  1.3810 -0.6213000     2.762000  
1 1 1 10 22 51  f 9.2310  1.2040 -0.4993000     2.409000  
1 1 1 10 22 52  o 8.4250  1.2880 0.9937000      2.577000  
1 1 1 10 22 53  o 4.4260  1.2990 1.052000       2.598000  
1 1 1 10 22 54  o 4.1440  1.2370 -2.081000      2.474000  
1 1 1 10 22 55  o 4.3600  1.3100 1.084000       2.620000  
1 1 1 10 22 56  o 7.8860  1.3280 -3.563000      2.656000  
1 1 1 10 22 57  o 6.3460  1.4020 -2.131000      2.803000  
1 1 1 10 22 58  o 5.7660  1.3740 2.726000       2.747000  
1 1 1 10 22 59  o 3.8740  1.2510 -0.3788000     2.503000  
1 1 1 10 22 60  f 3.6450  1.1970 0.2965000      2.394000  
1 1 1 10 22 61  o 10.400  1.1220 -1.011000      2.244000  
1 1 1 10 22 62  o 6.7380  1.4320 -1.285000      2.864000  
1 1 1 10 22 63  o 3.7250  1.1990 0.7760000      2.398000  
1 1 1 10 22 64  o 3.1340  1.0630 0.6154000      2.126000  
1 1 1 10 22 65  o 3.9680  1.3380 0.8051000      2.675000  
1 1 1 10 22 66  o 3.7580  1.9000 ?              ?         
1 1 1 10 23 0   o 12.790  0.7640 -0.000000      0.000000  
1 1 1 10 23 1   o 11.060  0.6931 -0.5618000     1.386000  
1 1 1 10 23 2   f 23.820  0.4948 -1.414000      0.9895000 
1 1 1 10 23 3   o 14.690  0.5535 -2.806000      1.107000  
1 1 1 10 23 4   o 12.490  0.5369 -0.1928000     1.074000  
1 1 1 10 23 5   o 10.230  0.6438 0.3760000      1.288000  
1 1 1 10 23 6   o 11.690  0.5581 -1.174000      1.116000  
1 1 1 10 23 7   o 14.400  0.4864 -0.9716000E-01 0.9727000 
1 1 1 10 23 8   o 11.490  0.5799 -0.7342000     1.160000  
1 1 1 10 23 9   o 9.1570  0.6760 -0.5888000     1.352000  
1 1 1 10 23 10  o 6.2830  1.0050 0.1278000      2.009000  
1 1 1 10 23 11  o 8.7620  0.8625 -2.397000      1.725000  
1 1 1 10 23 12  o 22.710  0.4492 0.1687000      0.8985000 
1 1 1 10 23 13  f 14.600  0.6683 6.900000       1.337000  
1 1 1 10 23 14  f 12.990  0.5363 -1.394000      1.073000  
1 1 1 10 23 15  f 15.320  0.4903 -0.7776000     0.9807000 
1 1 1 10 23 16  o 11.570  0.7616 -4.071000      1.523000  
1 1 1 10 23 17  f 21.200  0.4562 -0.4850000     0.9125000 
1 1 1 10 23 18  o 13.860  0.5396 -0.4994000     1.079000  
1 1 1 10 23 19  o 12.730  0.5719 -0.9504000E-01 1.144000  
1 1 1 10 23 20  o 21.770  0.4656 -0.8421000     0.9312000 
1 1 1 10 23 21  o 17.840  0.4917 -0.4008000E-01 0.9834000 
1 1 1 10 23 22  o 9.5820  0.8137 0.3691000E-01  1.627000  
1 1 1 10 23 23  o 4.4400  0.9857 -3.386000      1.971000  
1 1 1 10 23 24  o 2.6880  0.8992 -0.1552000     1.798000  
1 1 1 10 23 25  o 5.9820  1.1090 -1.435000      2.218000  
1 1 1 10 23 26  o 5.6850  1.1400 -0.4795000     2.280000  
1 1 1 10 23 27  f 14.860  0.5365 -0.7549000     1.073000  
1 1 1 10 23 28  o 11.560  0.7223 1.459000       1.445000  
1 1 1 10 23 29  o 12.390  0.6203 -0.2745000     1.241000  
1 1 1 10 23 30  o 4.7180  1.2190 -2.212000      2.437000  
1 1 1 10 23 31  o 13.470  0.6590 0.4415000      1.318000  
1 1 1 10 23 32  o 11.090  0.7847 1.024000       1.569000  
1 1 1 10 23 33  o 4.6210  1.2250 -0.8358000     2.451000  
1 1 1 10 23 34  o 13.390  0.6867 0.9323000      1.373000  
1 1 1 10 23 35  o 5.8080  1.2690 -0.4923000     2.539000  
1 1 1 10 23 36  o 6.3920  1.2270 1.254000       2.453000  
1 1 1 10 23 37  f 11.100  0.8104 -2.538000      1.621000  
1 1 1 10 23 38  o 8.4350  1.1700 -1.571000      2.340000  
1 1 1 10 23 39  o 8.5400  1.2070 -1.784000      2.414000  
1 1 1 10 23 40  o 17.990  0.6691 -0.2892000     1.338000  
1 1 1 10 23 41  o 12.870  0.8185 -0.5250000E-01 1.637000  
1 1 1 10 23 42  o 5.1340  1.2950 2.470000       2.591000  
1 1 1 10 23 43  o 8.3530  1.2350 -0.1649000     2.471000  
1 1 1 10 23 44  o 4.9390  1.3640 0.1187000      2.728000  
1 1 1 10 23 45  o 4.7340  1.3120 -2.303000      2.624000  
1 1 1 10 23 46  o 4.0700  1.2630 -0.2714000     2.526000  
1 1 1 10 23 47  o 5.5870  1.4150 0.5473000      2.830000  
1 1 1 10 23 48  o 7.5410  1.3570 -0.7143000     2.715000  
1 1 1 10 23 49  o 8.5570  1.2600 2.032000       2.521000  
1 1 1 10 23 50  o 4.5740  1.3500 0.4050000      2.700000  
1 1 1 10 23 51  o 8.0360  1.3400 -1.520000      2.679000  
1 1 1 10 23 52  o 5.6020  1.4220 1.135000       2.845000  
1 1 1 10 23 53  o 3.6590  1.1890 -0.2297000     2.377000  
1 1 1 10 23 54  o 6.1910  1.4240 0.5985000      2.849000  
1 1 1 10 23 55  o 4.3320  1.2800 -1.782000      2.560000  
1 1 1 10 23 56  o 6.1630  1.3900 2.858000       2.781000  
1 1 1 10 23 57  f 3.2850  1.1100 0.6958000E-01  2.221000  
1 1 1 10 23 58  o 6.5670  1.4370 0.6722000      2.874000  
1 1 1 10 23 59  o 4.9180  1.3850 0.3289000      2.770000  
1 1 1 10 23 60  o 6.5710  1.3700 -4.076000      2.739000  
1 1 1 10 23 61  o 6.6410  1.3980 -0.5532000     2.795000  
1 1 1 10 23 62  o 4.0370  2.0120 ?              ?         
1 1 1 10 24 0   o 12.360  0.7918 0.000000       0.000000  
1 1 1 10 24 1   f 11.710  0.5745 1.243000       1.149000  
1 1 1 10 24 2   o 12.340  0.6057 -0.1344000     1.211000  
1 1 1 10 24 3   o 21.750  0.4584 0.1536000      0.9168000 
1 1 1 10 24 4   o 13.740  0.5856 1.942000       1.171000  
1 1 1 10 24 5   o 12.020  0.5721 -0.4056000     1.144000  
1 1 1 10 24 6   o 11.080  0.6120 0.3180000      1.224000  
1 1 1 10 24 7   o 13.490  0.5214 -1.125000      1.043000  
1 1 1 10 24 8   o 11.770  0.5747 -1.524000      1.149000  
1 1 1 10 24 9   o 10.820  0.6395 -1.142000      1.279000  
1 1 1 10 24 10  o 13.930  0.5093 -1.829000      1.019000  
1 1 1 10 24 11  o 9.2410  0.7204 0.6801000      1.441000  
1 1 1 10 24 12  o 13.730  0.5460 -0.8708000     1.092000  
1 1 1 10 24 13  o 11.610  0.6567 0.4477000E-01  1.313000  
1 1 1 10 24 14  f 16.720  0.4709 -1.236000      0.9419000 
1 1 1 10 24 15  o 13.010  0.5674 1.150000       1.135000  
1 1 1 10 24 16  o 16.640  0.4888 -0.8059000     0.9775000 
1 1 1 10 24 17  o 7.9850  0.9517 3.154000       1.903000  
1 1 1 10 24 18  f 9.6150  0.7124 -0.8956000     1.425000  
1 1 1 10 24 19  o 6.6950  1.0350 1.241000       2.071000  
1 1 1 10 24 20  o 7.9030  0.8779 -1.008000      1.756000  
1 1 1 10 24 21  o 11.850  0.6274 0.1490000      1.255000  
1 1 1 10 24 22  o 12.840  0.5860 0.8474000      1.172000  
1 1 1 10 24 23  o 12.580  0.5968 0.2605000      1.194000  
1 1 1 10 24 24  o 10.130  0.7151 -0.6995000     1.430000  
1 1 1 10 24 25  o 3.3160  1.0360 0.7981000E-01  2.072000  
1 1 1 10 24 26  o 9.7820  0.7967 -2.750000      1.593000  
1 1 1 10 24 27  o 22.600  0.4918 -0.4742000     0.9836000 
1 1 1 10 24 28  o 14.810  0.6046 0.9577000E-01  1.209000  
1 1 1 10 24 29  o 11.640  0.6725 -0.9738000     1.345000  
1 1 1 10 24 30  o 4.8170  1.1130 -2.671000      2.226000  
1 1 1 10 24 31  o 12.010  0.7373 0.9510000      1.475000  
1 1 1 10 24 32  o 3.6410  1.1260 -0.4512000     2.251000  
1 1 1 10 24 33  o 3.6330  1.1290 -1.405000      2.259000  
1 1 1 10 24 34  o 4.5700  1.2370 0.1917000      2.474000  
1 1 1 10 24 35  o 6.4200  1.2240 -0.8168000     2.448000  
1 1 1 10 24 36  o 5.9530  1.2050 1.802000       2.409000  
1 1 1 10 24 37  o 5.4790  1.2550 0.8968000      2.511000  
1 1 1 10 24 38  o 3.8420  1.1540 -1.862000      2.308000  
1 1 1 10 24 39  o 5.2240  1.3450 -0.2463000E-01 2.689000  
1 1 1 10 24 40  o 4.2470  1.2710 -1.033000      2.542000  
1 1 1 10 24 41  o 8.5430  1.1770 1.079000       2.355000  
1 1 1 10 24 42  o 3.8020  1.1980 -0.4455000E-01 2.397000  
1 1 1 10 24 43  o 4.0320  1.2470 0.4139000      2.494000  
1 1 1 10 24 44  o 6.7580  1.3810 -1.664000      2.761000  
1 1 1 10 24 45  o 13.090  0.8584 1.364000       1.717000  
1 1 1 10 24 46  o 7.3810  1.3890 1.354000       2.778000  
1 1 1 10 24 47  o 3.5630  1.1670 1.233000       2.334000  
1 1 1 10 24 48  o 5.0640  1.3880 1.121000       2.777000  
1 1 1 10 24 49  o 7.0930  1.3140 -4.015000      2.629000  
1 1 1 10 24 50  o 3.8440  1.2260 -0.5329000E-02 2.452000  
1 1 1 10 24 51  o 4.1130  1.2410 -1.705000      2.481000  
1 1 1 10 24 52  o 4.0480  1.2720 -0.2860000     2.543000  
1 1 1 10 24 53  o 3.7190  1.2050 -0.4315000     2.409000  
1 1 1 10 24 54  o 5.2100  1.4230 -0.3374000E-01 2.847000  
1 1 1 10 24 55  o 8.5630  1.2940 -0.5659000     2.589000  
1 1 1 10 24 56  o 3.7220  1.2040 0.1336000      2.409000  
1 1 1 10 24 57  o 3.2360  1.0930 -0.8024000     2.186000  
1 1 1 10 24 58  f 4.5200  1.8840 ?              ?         
1 1 1 10 25 0   o 11.960  1.0050 -0.000000      0.000000  
1 1 1 10 25 1   o 16.760  0.4820 0.4466000      0.9639000 
1 1 1 10 25 2   o 12.200  0.5720 -0.7752000     1.144000  
1 1 1 10 25 3   o 10.590  0.6658 1.251000       1.332000  
1 1 1 10 25 4   o 12.560  0.5924 0.1488000      1.185000  
1 1 1 10 25 5   o 11.860  0.5895 0.3548000      1.179000  
1 1 1 10 25 6   f 13.460  0.5457 0.6311000      1.091000  
1 1 1 10 25 7   o 8.5920  0.8056 0.3239000      1.611000  
1 1 1 10 25 8   o 8.0780  0.8144 -0.2243000E-01 1.629000  
1 1 1 10 25 9   o 12.190  0.5670 -0.5386000     1.134000  
1 1 1 10 25 10  o 12.360  0.5901 -0.9253000     1.180000  
1 1 1 10 25 11  o 7.0200  0.9815 -1.552000      1.963000  
1 1 1 10 25 12  o 13.520  0.5499 -0.9642000     1.100000  
1 1 1 10 25 13  o 14.350  0.5371 -0.7778000E-01 1.074000  
1 1 1 10 25 14  o 11.990  0.6097 -2.070000      1.219000  
1 1 1 10 25 15  o 14.710  0.5262 -0.3100000     1.052000  
1 1 1 10 25 16  o 14.230  0.5339 0.1706000      1.068000  
1 1 1 10 25 17  o 11.420  0.6255 -1.500000      1.251000  
1 1 1 10 25 18  o 10.380  0.7021 1.473000       1.404000  
1 1 1 10 25 19  o 13.850  0.5519 0.8565000      1.104000  
1 1 1 10 25 20  o 8.0490  0.8706 0.7911000      1.741000  
1 1 1 10 25 21  o 7.2590  1.0050 2.819000       2.009000  
1 1 1 10 25 22  o 11.780  0.6441 0.9187000      1.288000  
1 1 1 10 25 23  o 15.480  0.5291 -0.3909000     1.058000  
1 1 1 10 25 24  o 8.4340  0.8759 -1.359000      1.752000  
1 1 1 10 25 25  o 5.8140  1.1420 0.8752000      2.284000  
1 1 1 10 25 26  o 7.4290  0.9742 -0.7520000E-01 1.948000  
1 1 1 10 25 27  o 3.5650  1.0840 -0.4771000     2.168000  
1 1 1 10 25 28  o 11.280  0.6913 0.3146000      1.383000  
1 1 1 10 25 29  o 7.1110  1.0540 0.6034000      2.108000  
1 1 1 10 25 30  o 6.2550  1.1580 -0.3595000     2.315000  
1 1 1 10 25 31  o 7.1900  1.0410 -0.4021000     2.082000  
1 1 1 10 25 32  o 4.8260  1.2630 -0.2800000     2.526000  
1 1 1 10 25 33  o 11.790  0.7606 0.2133000      1.521000  
1 1 1 10 25 34  o 7.5660  1.1140 -0.2374000E-02 2.229000  
1 1 1 10 25 35  o 4.4450  1.2160 1.087000       2.433000  
1 1 1 10 25 36  o 3.5700  1.1090 0.6276000      2.219000  
1 1 1 10 25 37  o 6.5820  1.2300 -0.4576000     2.460000  
1 1 1 10 25 38  o 9.2220  0.9766 0.8744000      1.953000  
1 1 1 10 25 39  o 3.7410  1.1570 -0.4187000     2.314000  
1 1 1 10 25 40  f 4.5570  1.2940 -0.8959000     2.589000  
1 1 1 10 25 41  o 5.0020  1.3430 1.981000       2.685000  
1 1 1 10 25 42  o 5.0310  1.3730 -0.5317000     2.746000  
1 1 1 10 25 43  o 4.0850  1.2670 0.2495000      2.534000  
1 1 1 10 25 44  o 9.3780  1.1490 -1.700000      2.298000  
1 1 1 10 25 45  o 3.7940  1.2110 0.4581000      2.422000  
1 1 1 10 25 46  o 5.7030  1.3830 1.719000       2.765000  
1 1 1 10 25 47  o 4.4500  1.3300 -0.2606000     2.659000  
1 1 1 10 25 48  o 3.8440  1.2290 0.4813000      2.459000  
1 1 1 10 25 49  f 3.9990  1.2470 1.496000       2.494000  
1 1 1 10 25 50  o 6.0840  1.3500 3.462000       2.701000  
1 1 1 10 25 51  o 4.1000  1.2710 -0.4264000E-01 2.541000  
1 1 1 10 25 52  o 4.2570  1.2730 1.590000       2.547000  
1 1 1 10 25 53  o 4.9890  1.3950 0.6038000      2.789000  
1 1 1 10 25 54  o 5.1980  2.2250 ?              ?         
1 1 1 10 26 0   f 3.1390  1.8090 -0.000000      0.000000  
1 1 1 10 26 1   o 8.6750  0.7865 -0.1434000     1.573000  
1 1 1 10 26 2   o 15.720  0.4998 -0.8545000     0.9996000 
1 1 1 10 26 3   o 8.4040  0.8287 -1.443000      1.657000  
1 1 1 10 26 4   o 11.560  0.6393 2.292000       1.279000  
1 1 1 10 26 5   o 13.800  0.6696 -3.464000      1.339000  
1 1 1 10 26 6   o 20.110  0.4761 -1.255000      0.9521000 
1 1 1 10 26 7   o 9.5030  1.0190 -8.244000      2.037000  
1 1 1 10 26 8   o 6.3430  1.0720 -1.031000      2.144000  
1 1 1 10 26 9   o 8.4500  0.8310 0.8212000      1.662000  
1 1 1 10 26 10  o 11.440  0.6097 -0.1283000     1.219000  
1 1 1 10 26 11  o 6.5500  1.0330 -0.1494000     2.066000  
1 1 1 10 26 12  o 6.0060  1.1100 -0.3286000     2.220000  
1 1 1 10 26 13  o 5.7960  1.1150 -0.9493000     2.231000  
1 1 1 10 26 14  o 13.570  0.5663 -0.4965000     1.133000  
1 1 1 10 26 15  o 9.7480  0.8163 1.285000       1.633000  
1 1 1 10 26 16  o 11.790  0.6339 -1.278000      1.268000  
1 1 1 10 26 17  o 9.7350  0.7262 -1.463000      1.452000  
1 1 1 10 26 18  o 9.0840  0.7903 -0.4017000E-01 1.581000  
1 1 1 10 26 19  o 8.1350  0.8853 0.5760000      1.771000  
1 1 1 10 26 20  o 13.080  0.5912 0.1769000      1.182000  
1 1 1 10 26 21  o 11.300  0.6650 -0.7173000     1.330000  
1 1 1 10 26 22  o 7.5960  0.9502 2.429000       1.900000  
1 1 1 10 26 23  o 6.1240  1.1220 0.7039000      2.245000  
1 1 1 10 26 24  o 4.5920  1.1780 -0.4410000     2.355000  
1 1 1 10 26 25  o 10.610  0.6844 -0.2141000     1.369000  
1 1 1 10 26 26  o 6.9990  1.0340 1.216000       2.067000  
1 1 1 10 26 27  o 10.030  0.7241 -1.327000      1.448000  
1 1 1 10 26 28  o 7.1890  1.0330 -1.489000      2.067000  
1 1 1 10 26 29  o 10.190  0.7845 -1.487000      1.569000  
1 1 1 10 26 30  f 11.450  0.7121 -1.731000      1.424000  
1 1 1 10 26 31  o 7.7700  1.0170 -0.2228000     2.033000  
1 1 1 10 26 32  o 11.230  0.7008 -2.209000      1.402000  
1 1 1 10 26 33  o 3.7070  1.1480 -0.4932000     2.297000  
1 1 1 10 26 34  o 14.550  0.6636 0.5550000      1.327000  
1 1 1 10 26 35  o 12.260  0.7612 0.1074000      1.522000  
1 1 1 10 26 36  o 3.7970  1.1440 0.3164000      2.288000  
1 1 1 10 26 37  o 3.5300  1.1240 -0.2458000     2.247000  
1 1 1 10 26 38  o 4.7340  1.2300 0.8966000      2.459000  
1 1 1 10 26 39  o 3.4300  1.1030 -0.2325000     2.205000  
1 1 1 10 26 40  o 9.4000  0.9272 1.473000       1.854000  
1 1 1 10 26 41  o 4.0370  1.2080 -1.576000      2.417000  
1 1 1 10 26 42  o 3.7810  1.1900 -1.235000      2.379000  
1 1 1 10 26 43  o 7.4780  1.3480 -0.8226000     2.696000  
1 1 1 10 26 44  o 5.1150  1.3730 -0.8868000     2.746000  
1 1 1 10 26 45  o 3.9420  1.2410 -0.3777000E-01 2.481000  
1 1 1 10 26 46  o 6.9780  1.3710 -0.7712000     2.742000  
1 1 1 10 26 47  o 5.1820  1.3850 1.211000       2.770000  
1 1 1 10 26 48  o 4.8010  1.3320 -1.403000      2.664000  
1 1 1 10 26 49  o 4.0770  1.7760 ?              ?         
1 1 1 10 26 50  o 3.4630  1.7430 ?              ?         
1 1 1 10 27 0   o 12.080  0.8733 0.000000       0.000000  
1 1 1 10 27 1   o 14.280  0.5390 -0.3955000     1.078000  
1 1 1 10 27 2   o 9.8470  0.7807 -3.389000      1.561000  
1 1 1 10 27 3   o 5.0190  1.1590 -0.6650000     2.318000  
1 1 1 10 27 4   o 9.6700  0.7519 1.054000       1.504000  
1 1 1 10 27 5   o 8.1140  0.8858 1.422000       1.772000  
1 1 1 10 27 6   o 4.9860  1.1730 0.9192000E-01  2.347000  
1 1 1 10 27 7   o 6.0310  1.0900 0.5158000      2.181000  
1 1 1 10 27 8   o 10.960  0.6658 0.1700000      1.332000  
1 1 1 10 27 9   o 13.510  0.5694 -0.2722000     1.139000  
1 1 1 10 27 10  o 4.9680  1.1290 2.291000       2.259000  
1 1 1 10 27 11  o 3.5530  1.0450 -1.204000      2.090000  
1 1 1 10 27 12  f 4.7840  1.1520 -1.333000      2.303000  
1 1 1 10 27 13  o 7.2610  0.9711 -2.091000      1.942000  
1 1 1 10 27 14  o 9.2590  0.8006 -2.721000      1.601000  
1 1 1 10 27 15  o 5.7170  1.0960 -1.270000      2.193000  
1 1 1 10 27 16  o 5.7710  1.1230 0.5491000      2.246000  
1 1 1 10 27 17  o 4.7190  1.1270 1.886000       2.255000  
1 1 1 10 27 18  o 8.7970  0.8446 -0.1753000     1.689000  
1 1 1 10 27 19  o 6.8900  1.0430 0.3759000      2.087000  
1 1 1 10 27 20  o 4.8580  1.1120 -1.475000      2.225000  
1 1 1 10 27 21  o 4.5090  1.1430 -0.8516000     2.287000  
1 1 1 10 27 22  o 9.8900  0.7244 -1.363000      1.449000  
1 1 1 10 27 23  o 8.5790  0.8680 0.9320000      1.736000  
1 1 1 10 27 24  o 4.7100  1.1500 1.100000       2.299000  
1 1 1 10 27 25  f 4.4670  1.1480 1.241000       2.296000  
1 1 1 10 27 26  o 4.0350  1.1030 1.359000       2.207000  
1 1 1 10 27 27  o 8.4550  0.9244 3.548000       1.849000  
1 1 1 10 27 28  o 3.5040  1.0740 -0.2542000E-01 2.148000  
1 1 1 10 27 29  o 9.7610  0.8069 1.657000       1.614000  
1 1 1 10 27 30  o 9.0410  0.8407 0.7544000      1.681000  
1 1 1 10 27 31  o 10.840  0.7272 1.074000       1.454000  
1 1 1 10 27 32  o 8.5000  0.8846 -0.2985000     1.769000  
1 1 1 10 27 33  o 5.1700  1.2010 0.9066000      2.401000  
1 1 1 10 27 34  o 5.5070  1.2110 1.546000       2.423000  
1 1 1 10 27 35  o 4.6910  1.2600 0.3913000E-01  2.520000  
1 1 1 10 27 36  o 6.7130  1.1990 0.7991000      2.399000  
1 1 1 10 27 37  o 3.3400  1.0810 -1.634000      2.162000  
1 1 1 10 27 38  o 9.4030  0.9560 -0.7872000     1.912000  
1 1 1 10 27 39  o 5.9020  1.1890 3.495000       2.379000  
1 1 1 10 27 40  o 4.8790  1.2470 -2.432000      2.495000  
1 1 1 10 27 41  o 4.2700  1.1380 2.342000       2.277000  
1 1 1 10 27 42  o 4.4330  1.3060 0.4958000E-01  2.612000  
1 1 1 10 27 43  o 4.1410  1.3560 0.8080000      2.711000  
1 1 1 10 27 44  o 4.8470  2.2760 ?              ?         
1 1 1 10 28 0   o 2.8700  1.7420 -0.000000      0.000000  
1 1 1 10 28 1   o 4.3450  1.1160 -0.9101000     2.232000  
1 1 1 10 28 2   o 4.1110  1.1430 -0.3427000     2.285000  
1 1 1 10 28 3   o 5.6430  1.1750 0.2778000      2.350000  
1 1 1 10 28 4   o 4.1360  1.1260 -0.9036000     2.253000  
1 1 1 10 28 5   o 7.1820  1.0010 -0.6093000     2.002000  
1 1 1 10 28 6   o 14.130  0.5541 -1.117000      1.108000  
1 1 1 10 28 7   o 9.6010  0.7544 1.002000       1.509000  
1 1 1 10 28 8   o 4.5860  1.1560 0.6910000      2.311000  
1 1 1 10 28 9   o 7.6300  0.9779 0.1223000      1.956000  
1 1 1 10 28 10  o 8.0430  0.9074 0.7375000      1.815000  
1 1 1 10 28 11  o 8.5840  0.8455 1.269000       1.691000  
1 1 1 10 28 12  o 8.3710  0.8341 -0.5673000     1.668000  
1 1 1 10 28 13  o 5.5810  1.1490 0.4960000      2.299000  
1 1 1 10 28 14  o 6.8870  1.0450 -1.339000      2.090000  
1 1 1 10 28 15  o 11.820  0.6651 -0.4956000     1.330000  
1 1 1 10 28 16  o 8.0020  0.9187 -0.8097000     1.837000  
1 1 1 10 28 17  o 11.740  0.6620 0.2924000      1.324000  
1 1 1 10 28 18  o 6.0450  1.1160 -1.075000      2.231000  
1 1 1 10 28 19  o 7.1350  1.0370 -1.611000      2.075000  
1 1 1 10 28 20  o 7.4890  0.9572 0.9505000      1.914000  
1 1 1 10 28 21  o 6.0200  1.1330 1.880000       2.265000  
1 1 1 10 28 22  o 5.2310  1.1690 -0.8551000     2.339000  
1 1 1 10 28 23  o 5.1840  1.1350 2.184000       2.270000  
1 1 1 10 28 24  o 3.5170  1.0740 -0.3662000     2.148000  
1 1 1 10 28 25  o 5.1270  1.1750 -0.5491000     2.351000  
1 1 1 10 28 26  f 4.3260  1.1780 0.4377000      2.357000  
1 1 1 10 28 27  o 6.3010  1.1180 -2.428000      2.236000  
1 1 1 10 28 28  o 4.2080  1.1240 2.378000       2.248000  
1 1 1 10 28 29  o 6.1370  1.1680 -0.5571000     2.337000  
1 1 1 10 28 30  o 5.7190  1.2070 -0.9373000     2.414000  
1 1 1 10 28 31  o 8.6580  0.8753 -1.043000      1.751000  
1 1 1 10 28 32  f 3.3280  1.0500 0.9005000      2.100000  
1 1 1 10 28 33  o 3.4940  1.0830 -0.2945000     2.165000  
1 1 1 10 28 34  o 4.0760  1.1570 1.042000       2.314000  
1 1 1 10 28 35  o 4.6350  1.2570 -0.2117000     2.515000  
1 1 1 10 28 36  o 3.7640  1.1930 -0.1930000     2.387000  
1 1 1 10 28 37  o 3.6420  1.2590 0.1092000      2.517000  
1 1 1 10 28 38  o 3.6040  1.8200 ?              ?         
1 1 1 10 29 0   o 6.2510  1.8390 0.000000       0.000000  
1 1 1 10 29 1   o 5.5400  1.0770 3.124000       2.153000  
1 1 1 10 29 2   o 3.9550  1.1290 0.9847000      2.257000  
1 1 1 10 29 3   o 6.7200  1.0810 -3.246000      2.162000  
1 1 1 10 29 4   o 10.0000 0.7828 0.9710000      1.566000  
1 1 1 10 29 5   o 6.2950  1.1030 2.708000       2.205000  
1 1 1 10 29 6   o 7.7150  0.9676 1.591000       1.935000  
1 1 1 10 29 7   o 4.1640  1.1390 1.427000       2.279000  
1 1 1 10 29 8   f 3.2210  1.0050 1.475000       2.009000  
1 1 1 10 29 9   o 2.7900  0.9320 0.3639000      1.864000  
1 1 1 10 29 10  o 3.3070  1.0390 0.8529000      2.078000  
1 1 1 10 29 11  o 5.4660  1.1470 -1.776000      2.293000  
1 1 1 10 29 12  o 9.8340  0.7892 -0.5469000     1.578000  
1 1 1 10 29 13  o 8.0430  0.9336 -0.3477000     1.867000  
1 1 1 10 29 14  o 10.420  0.7423 1.006000       1.485000  
1 1 1 10 29 15  o 9.3820  0.8309 -0.6262000     1.662000  
1 1 1 10 29 16  o 6.8770  1.0550 -2.875000      2.111000  
1 1 1 10 29 17  o 4.0660  1.1610 -0.1612000     2.322000  
1 1 1 10 29 18  o 4.1780  1.1550 -0.3614000     2.311000  
1 1 1 10 29 19  o 5.5580  1.1620 1.660000       2.324000  
1 1 1 10 29 20  o 4.8520  1.1150 -2.182000      2.230000  
1 1 1 10 29 21  o 3.8740  1.1170 0.1961000      2.235000  
1 1 1 10 29 22  o 2.7450  0.9248 -0.1335000     1.850000  
1 1 1 10 29 23  o 2.9190  0.9630 0.9029000E-01  1.926000  
1 1 1 10 29 24  o 9.3570  0.8382 -0.2461000     1.676000  
1 1 1 10 29 25  o 7.4840  1.0350 1.602000       2.070000  
1 1 1 10 29 26  o 6.6010  1.1430 0.7584000      2.287000  
1 1 1 10 29 27  o 4.2790  1.2550 0.1300000      2.511000  
1 1 1 10 29 28  o 3.9940  1.3240 -0.4707000     2.649000  
1 1 1 10 29 29  o 3.3210  1.6930 ?              ?         
1 1 1 10 29 30  o 3.7550  1.8880 ?              ?         
1 1 1 10 30 0   o 10.480  1.1410 -0.000000      0.000000  
1 1 1 10 30 1   o 8.0160  1.0180 2.218000       2.036000  
1 1 1 10 30 2   o 8.6240  0.9178 -0.7033000     1.836000  
1 1 1 10 30 3   o 5.7980  1.1290 -3.056000      2.258000  
1 1 1 10 30 4   o 5.3020  1.2000 -1.134000      2.399000  
1 1 1 10 30 5   o 3.6900  1.0830 1.801000       2.166000  
1 1 1 10 30 6   o 3.9090  1.1250 1.095000       2.250000  
1 1 1 10 30 7   o 3.6260  1.0930 -0.2444000     2.186000  
1 1 1 10 30 8   o 5.8260  1.1900 1.530000       2.381000  
1 1 1 10 30 9   o 7.8550  1.0070 2.445000       2.015000  
1 1 1 10 30 10  o 7.7760  1.0190 1.729000       2.038000  
1 1 1 10 30 11  o 4.3100  1.1920 -0.7939000     2.385000  
1 1 1 10 30 12  o 5.7810  1.1520 -2.125000      2.303000  
1 1 1 10 30 13  o 3.7600  1.1520 0.1722000      2.304000  
1 1 1 10 30 14  f 3.7060  1.1670 0.5544000      2.334000  
1 1 1 10 30 15  o 3.9170  1.7220 ?              ?         
1 1 1 10 30 16  o 4.1900  2.0190 ?              ?         
1 1 1 10 30 17  o 5.0520  2.3310 ?              ?         
1 1 1 10 30 18  f 3.6600  1.8370 ?              ?         
1 1 1 11 0  1   o 2.0810  1.1730 0.000000       0.000000  
1 1 1 11 0  2   o 5.6300  0.7232 0.000000       0.000000  
1 1 1 11 0  3   o 18.590  0.7711 -0.000000      0.000000  
1 1 1 11 0  4   o 9.3360  0.5395 0.000000       0.000000  
1 1 1 11 0  5   o 43.260  1.7090 -0.000000      0.000000  
1 1 1 11 0  6   o 53.430  2.1130 0.000000       0.000000  
1 1 1 11 0  7   o 20.740  0.8371 0.000000       0.000000  
1 1 1 11 0  8   o 19.860  0.8056 0.000000       0.000000  
1 1 1 11 0  9   o 54.960  2.1840 0.000000       0.000000  
1 1 1 11 0  10  o 26.220  1.0550 -0.000000      0.000000  
1 1 1 11 0  16  o 1.0180  0.7054 0.000000       0.000000  
1 1 1 11 0  18  o 39.660  1.1150 0.000000       0.000000  
1 1 1 11 0  19  o 34.090  0.9616 0.000000       0.000000  
1 1 1 11 0  20  o 45.000  1.2540 0.000000       0.000000  
1 1 1 11 0  21  o 40.730  1.6150 0.000000       0.000000  
1 1 1 11 0  22  f 63.730  2.5220 0.000000       0.000000  
1 1 1 11 0  23  o 17.560  0.8267 0.000000       0.000000  
1 1 1 11 0  24  o 73.140  2.9140 0.000000       0.000000  
1 1 1 11 0  25  o 14.470  0.8162 0.000000       0.000000  
1 1 1 11 0  26  o 2.1550  1.4270 0.000000       0.000000  
1 1 1 11 0  27  o 35.580  1.4370 0.000000       0.000000  
1 1 1 11 0  28  o 28.890  1.2110 0.000000       0.000000  
1 1 1 11 0  29  o 38.940  1.5720 0.000000       0.000000  
1 1 1 11 0  30  o 24.600  1.1060 0.000000       0.000000  
1 1 1 11 0  31  o 17.230  1.0620 -0.000000      0.000000  
1 1 1 11 0  32  o 27.030  1.2060 0.000000       0.000000  
1 1 1 11 0  33  o 4.0530  2.2510 0.000000       0.000000  
1 1 1 11 0  34  o 11.210  1.4900 0.000000       0.000000  
1 1 1 11 0  35  f 17.950  1.1590 0.000000       0.000000  
1 1 1 11 0  36  o 20.320  1.1820 0.000000       0.000000  
1 1 1 11 0  37  o 62.410  2.4980 0.000000       0.000000  
1 1 1 11 0  38  o 63.710  2.5510 0.000000       0.000000  
1 1 1 11 0  39  o 19.670  1.2270 0.000000       0.000000  
1 1 1 11 0  40  o 20.110  1.2820 0.000000       0.000000  
1 1 1 11 0  41  o 49.090  2.0060 0.000000       0.000000  
1 1 1 11 0  42  o 69.740  2.8000 0.000000       0.000000  
1 1 1 11 0  43  o 6.1530  3.0190 0.000000       0.000000  
1 1 1 11 0  44  o 33.380  1.5310 0.000000       0.000000  
1 1 1 11 0  45  o 4.6010  2.7520 0.000000       0.000000  
1 1 1 11 0  46  o 23.870  1.4310 0.000000       0.000000  
1 1 1 11 0  47  f 67.350  2.7240 0.000000       0.000000  
1 1 1 11 0  48  o 4.7940  2.8340 0.000000       0.000000  
1 1 1 11 0  49  o 31.780  1.5340 0.000000       0.000000  
1 1 1 11 0  50  o 7.7130  3.2490 0.000000       0.000000  
1 1 1 11 0  51  o 14.620  2.0420 0.000000       0.000000  
1 1 1 11 0  52  o 3.0900  2.1780 0.000000       0.000000  
1 1 1 11 0  53  o 11.970  2.8320 -0.000000      0.000000  
1 1 1 11 0  54  o 30.660  1.6350 0.000000       0.000000  
1 1 1 11 0  55  o 4.1310  2.7390 0.000000       0.000000  
1 1 1 11 0  56  o 20.020  1.8920 0.000000       0.000000  
1 1 1 11 0  57  o 4.5200  2.9340 0.000000       0.000000  
1 1 1 11 0  58  o 18.120  2.1280 0.000000       0.000000  
1 1 1 11 0  59  o 22.630  1.8790 0.000000       0.000000  
1 1 1 11 0  60  o 5.4190  3.3860 0.000000       0.000000  
1 1 1 11 0  61  o 15.850  2.9430 0.000000       0.000000  
1 1 1 11 0  62  o 6.0720  3.6850 0.000000       0.000000  
1 1 1 11 0  63  o 4.2820  2.9350 0.000000       0.000000  
1 1 1 11 0  64  o 20.740  2.5340 0.000000       0.000000  
1 1 1 11 0  65  o 8.4750  4.3590 0.000000       0.000000  
1 1 1 11 0  66  o 8.8370  4.5510 0.000000       0.000000  
1 1 1 11 0  67  o 5.6220  3.6450 0.000000       0.000000  
1 1 1 11 0  68  o 12.860  4.5820 0.000000       0.000000  
1 1 1 11 0  69  f 7.6160  4.4770 0.000000       0.000000  
1 1 1 11 0  70  f 4.5440  3.2150 -0.000000      0.000000  
1 1 1 11 0  71  o 10.160  5.0290 0.000000       0.000000  
1 1 1 11 0  72  o 5.2680  3.5970 -0.000000      0.000000  
1 1 1 11 0  73  o 4.3630  3.1030 -0.000000      0.000000  
1 1 1 11 0  74  o 7.0900  4.2500 0.000000       0.000000  
1 1 1 11 0  75  o 4.5510  3.1920 -0.000000      0.000000  
1 1 1 11 0  76  o 5.0250  3.4460 0.000000       0.000000  
1 1 1 11 0  77  o 4.9670  3.4040 -0.000000      0.000000  
1 1 1 11 0  78  o 5.9750  3.8720 0.000000       0.000000  
1 1 1 11 0  79  o 4.6200  3.2230 0.000000       0.000000  
1 1 1 11 0  80  o 5.8530  3.8240 0.000000       0.000000  
1 1 1 11 0  81  f 4.2860  3.0260 0.000000       0.000000  
1 1 1 11 0  82  o 5.0250  3.3640 0.000000       0.000000  
1 1 1 11 0  83  o 6.3970  3.9020 0.000000       0.000000  
1 1 1 11 0  84  o 4.7790  3.2500 0.000000       0.000000  
1 1 1 11 0  85  o 4.4350  3.1000 0.000000       0.000000  
1 1 1 11 0  86  o 4.1370  2.9490 -0.000000      0.000000  
1 1 1 11 0  87  o 5.0170  3.4250 -0.000000      0.000000  
1 1 1 11 0  88  o 5.4300  3.5710 -0.000000      0.000000  
1 1 1 11 0  89  o 6.3300  3.8800 -0.000000      0.000000  
1 1 1 11 0  90  o 3.5010  2.5170 -0.000000      0.000000  
1 1 1 11 0  91  f 3.3750  2.3550 0.000000       0.000000  
1 1 1 11 1  0   o 8.1540  0.6622 -0.000000      0.000000  
1 1 1 11 1  1   o 45.040  1.2630 -0.4364000E-01 2.526000  
1 1 1 11 1  2   o 33.370  0.9386 0.3969000      1.877000  
1 1 1 11 1  3   o 13.170  0.4295 -0.4230000E-01 0.8591000 
1 1 1 11 1  4   o 9.0430  0.4370 5.045000       0.8740000 
1 1 1 11 1  5   o 34.470  0.9654 2.497000       1.931000  
1 1 1 11 1  6   o 13.820  0.4278 -2.881000      0.8556000 
1 1 1 11 1  7   o 43.500  1.2250 2.587000       2.449000  
1 1 1 11 1  8   o 52.660  1.4980 1.384000       2.996000  
1 1 1 11 1  9   o 37.590  1.4890 ?              ?         
1 1 1 11 1  10  o 52.710  1.4850 2.206000       2.970000  
1 1 1 11 1  11  o 20.000  0.5839 -1.965000      1.168000  
1 1 1 11 1  12  o 16.030  0.5000 0.5977000      1.000000  
1 1 1 11 1  13  o 18.180  0.5466 -0.6948000     1.093000  
1 1 1 11 1  14  o 35.290  1.3950 ?              ?         
1 1 1 11 1  15  o 23.680  0.9475 ?              ?         
1 1 1 11 1  16  o 46.230  1.8290 ?              ?         
1 1 1 11 1  17  o 51.270  2.0350 ?              ?         
1 1 1 11 1  18  o 22.350  0.9096 ?              ?         
1 1 1 11 1  19  o 19.400  0.8172 ?              ?         
1 1 1 11 1  20  o 42.620  1.0290 -1.060000      2.057000  
1 1 1 11 1  21  o 23.540  0.6031 1.079000       1.206000  
1 1 1 11 1  22  o 7.1690  0.6136 1.464000       1.227000  
1 1 1 11 1  23  o 19.060  0.5309 0.3945000      1.062000  
1 1 1 11 1  24  o 28.890  0.7246 -0.5144000     1.449000  
1 1 1 11 1  25  o 39.510  0.9610 -0.9941000     1.922000  
1 1 1 11 1  26  o 45.880  1.1110 -1.427000      2.221000  
1 1 1 11 1  27  o 29.510  0.7496 -0.6253000E-01 1.499000  
1 1 1 11 1  28  o 34.750  0.8633 -0.8196000     1.727000  
1 1 1 11 1  29  f 32.690  0.9540 0.9192000      1.908000  
1 1 1 11 1  30  o 30.310  0.9014 1.327000       1.803000  
1 1 1 11 1  31  o 12.920  0.7719 0.2552000      1.544000  
1 1 1 11 1  32  f 6.9190  1.3160 0.9147000      2.631000  
1 1 1 11 1  33  o 25.570  0.8374 -0.4598000     1.675000  
1 1 1 11 1  34  o 44.150  1.2650 0.2792000      2.529000  
1 1 1 11 1  35  o 21.410  0.8138 0.5503000      1.628000  
1 1 1 11 1  36  o 36.340  1.0810 1.711000       2.162000  
1 1 1 11 1  37  o 29.150  0.9368 0.2057000      1.874000  
1 1 1 11 1  38  o 18.800  0.8351 -0.9789000     1.670000  
1 1 1 11 1  39  o 25.430  0.8855 -1.038000      1.771000  
1 1 1 11 1  40  f 31.170  0.9908 0.6070000      1.982000  
1 1 1 11 1  41  f 26.090  0.9234 1.052000       1.847000  
1 1 1 11 1  42  o 50.770  1.4690 1.420000       2.939000  
1 1 1 11 1  43  o 41.340  1.2380 1.053000       2.476000  
1 1 1 11 1  44  f 35.310  1.1120 -1.142000      2.223000  
1 1 1 11 1  45  o 48.150  1.4140 -0.4023000     2.828000  
1 1 1 11 1  46  o 21.150  0.9920 2.536000       1.984000  
1 1 1 11 1  47  o 7.7490  1.7750 0.5456000      3.550000  
1 1 1 11 1  48  o 15.070  1.2730 0.9755000      2.546000  
1 1 1 11 1  49  o 37.960  1.2160 -0.1950000E-01 2.432000  
1 1 1 11 1  50  f 8.1230  1.8950 -0.1379000     3.790000  
1 1 1 11 1  51  f 34.420  1.1700 -1.195000      2.340000  
1 1 1 11 1  52  o 42.410  1.3270 -0.1588000     2.653000  
1 1 1 11 1  53  f 18.440  1.3070 -2.276000      2.614000  
1 1 1 11 1  54  o 12.720  1.8040 1.838000       3.607000  
1 1 1 11 1  55  o 17.070  1.4540 3.018000       2.908000  
1 1 1 11 1  56  o 29.300  1.1750 -1.597000      2.350000  
1 1 1 11 1  57  o 17.600  1.4340 -1.971000      2.869000  
1 1 1 11 1  58  o 8.5870  2.1430 -3.047000      4.287000  
1 1 1 11 1  59  o 16.260  1.7310 -1.708000      3.461000  
1 1 1 11 1  60  o 8.0450  2.2520 1.137000       4.504000  
1 1 1 11 1  61  o 12.380  2.1430 3.274000       4.287000  
1 1 1 11 1  62  o 13.140  2.2370 -4.409000      4.475000  
1 1 1 11 1  63  o 20.590  1.6930 -0.7627000     3.386000  
1 1 1 11 1  64  o 15.040  2.2490 5.859000       4.498000  
1 1 1 11 1  65  o 8.6460  2.4890 -1.533000      4.979000  
1 1 1 11 1  66  o 9.5530  2.5960 -2.759000      5.192000  
1 1 1 11 1  67  o 9.3880  2.6310 -1.308000      5.262000  
1 1 1 11 1  68  o 8.1160  2.4690 -1.614000      4.938000  
1 1 1 11 1  69  o 9.4370  2.7060 -0.1201000     5.412000  
1 1 1 11 1  70  o 8.5490  2.6170 0.3434000      5.233000  
1 1 1 11 1  71  o 9.4120  2.7240 -0.2503000     5.449000  
1 1 1 11 1  72  o 7.9770  2.5210 -0.2543000     5.041000  
1 1 1 11 1  73  o 8.8980  2.6470 0.5761000      5.294000  
1 1 1 11 1  74  o 10.100  2.7570 0.9540000      5.513000  
1 1 1 11 1  75  o 9.2740  2.6600 0.1626000      5.321000  
1 1 1 11 1  76  o 8.1050  2.4540 -1.805000      4.908000  
1 1 1 11 1  77  o 6.4390  2.1350 1.822000       4.269000  
1 1 1 11 1  78  f 6.4390  2.1540 -0.5892000     4.307000  
1 1 1 11 1  79  o 6.2970  2.1230 -1.373000      4.246000  
1 1 1 11 1  80  o 7.4000  2.3690 -0.7807000     4.738000  
1 1 1 11 1  81  o 6.7830  2.1740 -3.059000      4.349000  
1 1 1 11 1  82  o 5.9750  2.0080 -0.6773000     4.017000  
1 1 1 11 1  83  o 5.2970  1.8290 0.3132000      3.658000  
1 1 1 11 1  84  o 6.4740  2.1150 -0.1539000     4.230000  
1 1 1 11 1  85  f 6.1540  2.0520 0.5780000E-01  4.104000  
1 1 1 11 1  86  o 5.0880  1.7800 0.2067000      3.561000  
1 1 1 11 1  87  o 5.5500  1.9150 1.787000       3.830000  
1 1 1 11 1  88  o 4.4590  1.5880 0.3052000      3.176000  
1 1 1 11 1  89  o 5.6440  1.9090 -1.146000      3.818000  
1 1 1 11 1  90  o 4.7630  1.6590 -0.8720000E-02 3.318000  
1 1 1 11 1  91  o 4.1680  1.4350 0.1182000      2.870000  
1 1 1 11 1  92  o 3.6170  1.7750 ?              ?         
1 1 1 11 2  0   o 35.020  1.3950 0.000000       0.000000  
1 1 1 11 2  1   o 55.730  1.3580 -1.017000      2.717000  
1 1 1 11 2  2   o 33.690  0.8304 -1.868000      1.661000  
1 1 1 11 2  3   o 50.890  1.2300 1.308000       2.460000  
1 1 1 11 2  4   o 22.170  0.9106 ?              ?         
1 1 1 11 2  5   o 24.480  0.5995 1.585000       1.199000  
1 1 1 11 2  6   o 12.100  0.3647 -2.220000      0.7295000 
1 1 1 11 2  7   o 51.250  1.4480 7.399000       2.896000  
1 1 1 11 2  8   o 44.710  1.2550 -1.472000      2.511000  
1 1 1 11 2  9   o 24.940  0.7147 -5.831000      1.429000  
1 1 1 11 2  10  o 14.760  0.4731 -2.477000      0.9462000 
1 1 1 11 2  11  o 30.120  0.8497 2.251000       1.699000  
1 1 1 11 2  12  o 34.930  0.9811 1.885000       1.962000  
1 1 1 11 2  13  o 14.210  0.4816 1.664000       0.9632000 
1 1 1 11 2  14  o 22.630  0.6589 -0.2153000     1.318000  
1 1 1 11 2  15  f 29.160  0.8290 -0.5163000     1.658000  
1 1 1 11 2  16  o 18.620  0.7790 ?              ?         
1 1 1 11 2  17  o 16.750  0.7237 ?              ?         
1 1 1 11 2  18  o 32.550  1.2920 ?              ?         
1 1 1 11 2  19  o 21.410  0.8847 ?              ?         
1 1 1 11 2  20  o 7.1360  0.8688 6.087000       1.738000  
1 1 1 11 2  21  f 16.370  0.4754 -1.599000      0.9509000 
1 1 1 11 2  22  o 47.090  1.1270 -3.906000      2.255000  
1 1 1 11 2  23  o 17.300  0.5285 3.643000       1.057000  
1 1 1 11 2  24  o 29.070  0.7223 -1.821000      1.445000  
1 1 1 11 2  25  o 29.640  0.7477 0.5820000      1.495000  
1 1 1 11 2  26  f 19.000  0.5677 0.8277000      1.135000  
1 1 1 11 2  27  o 30.910  0.7725 -2.481000      1.545000  
1 1 1 11 2  28  o 44.560  1.1000 2.180000       2.200000  
1 1 1 11 2  29  o 27.400  0.7244 0.6805000      1.449000  
1 1 1 11 2  30  f 38.660  0.9578 -0.5943000     1.916000  
1 1 1 11 2  31  o 43.080  1.0720 1.732000       2.143000  
1 1 1 11 2  32  f 19.320  0.6449 0.3796000      1.290000  
1 1 1 11 2  33  o 4.2490  1.2100 -0.3936000E-01 2.420000  
1 1 1 11 2  34  o 35.600  0.9173 2.447000       1.835000  
1 1 1 11 2  35  o 35.210  0.9097 0.6266000      1.819000  
1 1 1 11 2  36  o 77.170  2.1650 ?              ?         
1 1 1 11 2  37  o 25.670  0.8861 4.713000       1.772000  
1 1 1 11 2  38  o 20.200  0.8427 -0.5535000     1.685000  
1 1 1 11 2  39  f 13.310  1.0310 0.1358000      2.062000  
1 1 1 11 2  40  o 11.590  1.2040 1.286000       2.408000  
1 1 1 11 2  41  o 29.180  0.9619 0.1382000      1.924000  
1 1 1 11 2  42  o 18.540  0.9363 -2.345000      1.873000  
1 1 1 11 2  43  o 16.100  1.0330 1.122000       2.066000  
1 1 1 11 2  44  o 21.490  0.9572 -0.6161000     1.914000  
1 1 1 11 2  45  o 41.380  1.2540 1.805000       2.508000  
1 1 1 11 2  46  o 62.590  1.8140 -0.8410000     3.627000  
1 1 1 11 2  47  o 22.750  1.0380 -0.4296000     2.077000  
1 1 1 11 2  48  f 24.280  1.0590 1.137000       2.118000  
1 1 1 11 2  49  o 28.960  1.0670 -0.7083000     2.134000  
1 1 1 11 2  50  o 21.590  1.1070 1.529000       2.213000  
1 1 1 11 2  51  o 36.890  1.2200 1.595000       2.441000  
1 1 1 11 2  52  o 23.530  1.1550 -1.259000      2.310000  
1 1 1 11 2  53  f 26.260  1.1030 -0.6698000     2.207000  
1 1 1 11 2  54  o 6.8180  1.9350 1.580000       3.871000  
1 1 1 11 2  55  o 7.0310  1.9770 -0.2102000     3.955000  
1 1 1 11 2  56  o 10.920  1.9730 4.081000       3.946000  
1 1 1 11 2  57  o 29.860  1.2160 0.3534000E-01  2.431000  
1 1 1 11 2  58  o 11.380  2.1200 -0.4772000     4.239000  
1 1 1 11 2  59  o 11.740  2.2080 -1.371000      4.416000  
1 1 1 11 2  60  o 8.3700  2.2820 -0.7784000     4.565000  
1 1 1 11 2  61  o 25.860  1.4090 0.9835000E-01  2.819000  
1 1 1 11 2  62  o 16.210  1.9820 -2.364000      3.964000  
1 1 1 11 2  63  o 12.860  2.4560 2.031000       4.912000  
1 1 1 11 2  64  o 7.4870  2.2600 1.724000       4.519000  
1 1 1 11 2  65  o 8.7020  2.4590 1.422000       4.918000  
1 1 1 11 2  66  o 14.700  2.2860 -6.748000      4.572000  
1 1 1 11 2  67  o 10.050  2.6060 -1.803000      5.212000  
1 1 1 11 2  68  o 7.5330  2.4170 -0.2984000     4.834000  
1 1 1 11 2  69  o 11.930  2.6130 7.683000       5.226000  
1 1 1 11 2  70  o 9.5550  2.7650 -0.8332000     5.530000  
1 1 1 11 2  71  f 8.3660  2.6160 0.5944000      5.232000  
1 1 1 11 2  72  o 11.570  2.8750 1.605000       5.751000  
1 1 1 11 2  73  o 8.2190  2.5410 -2.298000      5.083000  
1 1 1 11 2  74  o 7.5300  2.4110 -0.6155000     4.821000  
1 1 1 11 2  75  o 6.9380  2.2670 0.6015000      4.534000  
1 1 1 11 2  76  o 7.6570  2.3550 -1.040000      4.709000  
1 1 1 11 2  77  o 6.0210  2.0280 0.3253000      4.056000  
1 1 1 11 2  78  o 8.1400  2.4930 -1.040000      4.987000  
1 1 1 11 2  79  o 7.2390  2.3380 -1.503000      4.676000  
1 1 1 11 2  80  o 9.0150  2.5240 -4.423000      5.048000  
1 1 1 11 2  81  o 7.9180  2.4380 0.1599000      4.876000  
1 1 1 11 2  82  o 5.3580  1.8330 0.4407000      3.666000  
1 1 1 11 2  83  o 6.0540  2.0220 -0.9237000     4.045000  
1 1 1 11 2  84  o 6.2370  2.0570 -3.017000      4.113000  
1 1 1 11 2  85  o 5.5710  1.9150 -0.4817000     3.829000  
1 1 1 11 2  86  o 4.8080  1.7050 -0.3854000     3.410000  
1 1 1 11 2  87  o 5.1220  1.7970 -0.2891000     3.595000  
1 1 1 11 2  88  f 5.1690  1.7940 0.5891000      3.588000  
1 1 1 11 2  89  o 4.8540  1.6890 0.7905000      3.377000  
1 1 1 11 2  90  o 4.4970  1.5650 -0.1773000     3.130000  
1 1 1 11 2  91  o 3.8340  1.3410 -0.2817000     2.681000  
1 1 1 11 2  92  o 4.3340  2.0480 ?              ?         
1 1 1 11 3  1   f 19.040  0.4191 0.1761000      0.8382000 
1 1 1 11 3  2   o 35.260  0.7036 1.039000       1.407000  
1 1 1 11 3  3   o 26.480  0.6738 1.494000       1.348000  
1 1 1 11 3  4   o 6.7480  0.5791 ?              ?         
1 1 1 11 3  5   o 32.910  0.6004 2.201000       1.201000  
1 1 1 11 3  6   o 21.320  0.5152 ?              ?         
1 1 1 11 3  7   o 44.960  0.8916 4.241000       1.783000  
1 1 1 11 3  8   o 32.410  1.2930 ?              ?         
1 1 1 11 3  9   o 55.870  2.2210 ?              ?         
1 1 1 11 3  10  o 36.340  0.8782 -3.629000      1.756000  
1 1 1 11 3  11  o 35.110  0.8634 0.7261000      1.727000  
1 1 1 11 3  12  o 33.950  0.8329 0.4937000      1.666000  
1 1 1 11 3  13  o 28.560  0.7121 0.3414000      1.424000  
1 1 1 11 3  14  o 25.270  0.7280 0.8402000      1.456000  
1 1 1 11 3  15  o 43.450  1.2220 -0.5311000     2.445000  
1 1 1 11 3  16  o 30.670  0.8776 4.530000       1.755000  
1 1 1 11 3  17  o 11.430  0.5413 19.97000       1.083000  
1 1 1 11 3  18  o 17.610  0.7735 ?              ?         
1 1 1 11 3  19  o 23.170  0.9535 ?              ?         
1 1 1 11 3  20  o 36.770  1.4580 ?              ?         
1 1 1 11 3  21  o 21.770  0.6898 12.28000       1.380000  
1 1 1 11 3  22  o 15.600  0.4921 -1.697000      0.9843000 
1 1 1 11 3  23  o 21.480  0.5804 -0.6780000E-01 1.161000  
1 1 1 11 3  24  o 12.720  0.5164 -1.628000      1.033000  
1 1 1 11 3  25  o 32.470  0.8038 -1.296000      1.608000  
1 1 1 11 3  26  o 36.190  0.8925 -0.4608000     1.785000  
1 1 1 11 3  27  o 31.790  0.8026 0.5234000      1.605000  
1 1 1 11 3  28  f 30.700  0.7817 0.3061000      1.563000  
1 1 1 11 3  29  o 15.350  0.5811 0.5664000      1.162000  
1 1 1 11 3  30  o 23.220  0.7912 -0.5695000     1.582000  
1 1 1 11 3  31  o 45.890  1.3110 -3.344000      2.623000  
1 1 1 11 3  32  o 80.080  2.2720 -0.8409000     4.545000  
1 1 1 11 3  33  o 54.350  1.5430 5.304000       3.085000  
1 1 1 11 3  34  o 49.490  1.4140 0.8767000      2.828000  
1 1 1 11 3  35  o 15.010  0.9492 4.042000       1.898000  
1 1 1 11 3  36  o 55.690  1.5890 1.481000       3.177000  
1 1 1 11 3  37  o 47.730  1.3840 2.087000       2.768000  
1 1 1 11 3  38  o 37.770  1.1390 0.8741000      2.277000  
1 1 1 11 3  39  o 44.620  1.3060 0.2514000      2.613000  
1 1 1 11 3  40  o 22.660  0.9212 0.9728000      1.842000  
1 1 1 11 3  41  f 8.4120  1.5640 1.844000       3.128000  
1 1 1 11 3  42  o 43.600  1.2930 -0.5452000     2.586000  
1 1 1 11 3  43  o 10.770  1.5460 4.239000       3.093000  
1 1 1 11 3  44  o 29.000  1.3950 ?              ?         
1 1 1 11 3  45  o 47.800  1.9840 ?              ?         
1 1 1 11 3  46  o 44.670  1.8790 ?              ?         
1 1 1 11 3  47  o 17.830  1.5270 ?              ?         
1 1 1 11 3  48  o 35.440  1.6200 ?              ?         
1 1 1 11 3  49  o 22.250  1.5010 ?              ?         
1 1 1 11 3  50  o 19.080  1.6540 ?              ?         
1 1 1 11 3  51  o 20.160  1.6470 ?              ?         
1 1 1 11 3  52  o 30.740  1.6020 ?              ?         
1 1 1 11 3  53  o 16.390  1.9750 ?              ?         
1 1 1 11 3  54  o 19.070  1.7510 ?              ?         
1 1 1 11 3  55  o 15.440  2.1960 ?              ?         
1 1 1 11 3  56  o 5.7700  2.5840 ?              ?         
1 1 1 11 3  57  o 30.130  1.7630 ?              ?         
1 1 1 11 3  58  o 6.3380  2.7910 ?              ?         
1 1 1 11 3  59  o 9.7540  3.2270 ?              ?         
1 1 1 11 3  60  o 23.340  2.0450 ?              ?         
1 1 1 11 3  61  o 15.390  2.7430 ?              ?         
1 1 1 11 3  62  o 8.7030  3.3300 ?              ?         
1 1 1 11 3  63  o 17.370  2.6950 ?              ?         
1 1 1 11 3  64  o 26.640  2.2060 ?              ?         
1 1 1 11 3  65  o 18.870  2.8580 ?              ?         
1 1 1 11 3  66  f 14.390  3.6820 ?              ?         
1 1 1 11 3  67  o 10.870  4.0760 ?              ?         
1 1 1 11 3  68  o 17.270  3.8190 ?              ?         
1 1 1 11 3  69  o 7.4940  3.4720 ?              ?         
1 1 1 11 3  70  o 8.1700  3.5310 ?              ?         
1 1 1 11 3  71  f 8.6280  3.7710 ?              ?         
1 1 1 11 3  72  o 17.930  3.8800 ?              ?         
1 1 1 11 3  73  o 6.1320  2.9700 ?              ?         
1 1 1 11 3  74  o 8.9030  3.7520 ?              ?         
1 1 1 11 3  75  o 5.9720  2.8880 ?              ?         
1 1 1 11 3  76  o 7.6380  3.2530 ?              ?         
1 1 1 11 3  77  o 7.5990  3.3740 ?              ?         
1 1 1 11 3  78  o 7.0870  3.2970 ?              ?         
1 1 1 11 3  79  o 6.6620  3.1780 ?              ?         
1 1 1 11 3  80  o 6.0130  2.8810 ?              ?         
1 1 1 11 3  81  o 6.5790  3.0980 ?              ?         
1 1 1 11 3  82  o 6.6110  3.0880 ?              ?         
1 1 1 11 3  83  o 5.6680  2.7620 ?              ?         
1 1 1 11 3  84  o 6.3550  3.0380 ?              ?         
1 1 1 11 3  85  o 5.6350  2.7510 ?              ?         
1 1 1 11 3  86  o 5.5990  2.7550 ?              ?         
1 1 1 11 3  87  o 6.6380  3.1390 ?              ?         
1 1 1 11 3  88  o 5.2910  2.5830 ?              ?         
1 1 1 11 3  89  o 6.4680  2.9870 ?              ?         
1 1 1 11 3  90  o 4.5500  2.2550 ?              ?         
1 1 1 11 3  91  o 3.8480  1.9190 ?              ?         
1 1 1 11 3  92  o 4.6440  2.1530 ?              ?         
1 1 1 11 4  0   o 19.060  0.6022 -0.000000      0.000000  
1 1 1 11 4  1   o 36.720  0.7309 2.059000       1.462000  
1 1 1 11 4  2   o 19.890  0.4374 -2.350000      0.8749000 
1 1 1 11 4  3   o 12.780  0.3741 0.9187000      0.7483000 
1 1 1 11 4  4   o 27.640  0.5121 1.383000       1.024000  
1 1 1 11 4  5   o 22.680  0.4457 -2.574000      0.8913000 
1 1 1 11 4  6   o 26.680  0.4994 0.7524000      0.9988000 
1 1 1 11 4  7   o 23.640  0.4583 0.9740000      0.9166000 
1 1 1 11 4  8   o 11.170  0.3586 ?              ?         
1 1 1 11 4  9   o 55.210  1.5370 ?              ?         
1 1 1 11 4  10  o 14.680  0.5333 ?              ?         
1 1 1 11 4  11  o 11.690  0.4414 -1.531000      0.8827000 
1 1 1 11 4  12  o 26.150  1.0560 ?              ?         
1 1 1 11 4  13  o 13.480  0.6799 ?              ?         
1 1 1 11 4  14  o 34.930  0.8595 -0.6820000E-01 1.719000  
1 1 1 11 4  15  o 30.890  0.7680 0.9078000E-01  1.536000  
1 1 1 11 4  16  o 25.510  0.6494 -1.209000      1.299000  
1 1 1 11 4  17  o 40.180  0.9158 -1.155000      1.832000  
1 1 1 11 4  18  o 42.310  0.9577 -2.198000      1.915000  
1 1 1 11 4  19  o 39.620  0.9137 0.5135000      1.827000  
1 1 1 11 4  20  o 22.880  0.5941 5.113000       1.188000  
1 1 1 11 4  21  o 21.250  0.5366 -0.9609000     1.073000  
1 1 1 11 4  22  f 54.690  1.3250 -0.8739000     2.649000  
1 1 1 11 4  23  o 35.960  0.8931 -0.3838000     1.786000  
1 1 1 11 4  24  o 39.290  0.9908 3.871000       1.982000  
1 1 1 11 4  25  o 19.430  0.6418 5.619000       1.284000  
1 1 1 11 4  26  o 40.870  0.9875 -6.891000      1.975000  
1 1 1 11 4  27  o 24.030  0.6822 0.5953000      1.364000  
1 1 1 11 4  28  o 30.800  0.7935 -1.776000      1.587000  
1 1 1 11 4  29  o 22.720  0.6906 2.756000       1.381000  
1 1 1 11 4  30  o 67.190  1.6120 -6.676000      3.225000  
1 1 1 11 4  31  o 61.390  1.5140 3.730000       3.027000  
1 1 1 11 4  32  o 24.460  0.7331 3.424000       1.466000  
1 1 1 11 4  33  o 36.930  0.9447 -0.3267000     1.889000  
1 1 1 11 4  34  o 46.770  1.3440 -0.4928000     2.688000  
1 1 1 11 4  35  o 48.750  1.3970 0.4908000      2.793000  
1 1 1 11 4  36  o 9.6030  1.2980 5.263000       2.597000  
1 1 1 11 4  37  o 25.620  0.8922 1.123000       1.784000  
1 1 1 11 4  38  o 42.780  1.2540 0.4030000      2.508000  
1 1 1 11 4  39  o 14.430  1.0210 1.713000       2.041000  
1 1 1 11 4  40  o 10.190  1.3700 -0.6433000     2.741000  
1 1 1 11 4  41  o 12.880  1.2040 -2.752000      2.409000  
1 1 1 11 4  42  o 23.360  0.9485 1.762000       1.897000  
1 1 1 11 4  43  o 11.320  1.4350 -0.4188000     2.869000  
1 1 1 11 4  44  o 5.5200  1.6230 -1.177000      3.245000  
1 1 1 11 4  45  o 16.640  1.8370 ?              ?         
1 1 1 11 4  46  o 5.3070  1.6260 -0.9442000     3.252000  
1 1 1 11 4  47  o 23.540  1.0770 -0.4608000E-01 2.153000  
1 1 1 11 4  48  o 19.360  1.1560 -0.5195000E-01 2.313000  
1 1 1 11 4  49  o 12.630  1.5910 -1.871000      3.182000  
1 1 1 11 4  50  o 23.820  1.4820 ?              ?         
1 1 1 11 4  51  o 18.520  1.6670 ?              ?         
1 1 1 11 4  52  o 30.140  1.5830 ?              ?         
1 1 1 11 4  53  o 19.600  1.7530 ?              ?         
1 1 1 11 4  54  o 20.600  1.7360 ?              ?         
1 1 1 11 4  55  o 15.730  2.1420 ?              ?         
1 1 1 11 4  56  o 8.3400  3.0020 ?              ?         
1 1 1 11 4  57  f 23.980  1.8170 ?              ?         
1 1 1 11 4  58  o 19.670  2.0020 ?              ?         
1 1 1 11 4  59  o 19.310  2.0650 ?              ?         
1 1 1 11 4  60  o 9.7910  3.1940 ?              ?         
1 1 1 11 4  61  o 25.040  1.9210 ?              ?         
1 1 1 11 4  62  o 23.990  2.0750 ?              ?         
1 1 1 11 4  63  o 29.160  1.9820 ?              ?         
1 1 1 11 4  64  o 18.270  2.7350 ?              ?         
1 1 1 11 4  65  o 6.9100  3.1450 ?              ?         
1 1 1 11 4  66  o 13.260  3.8700 ?              ?         
1 1 1 11 4  67  o 17.140  3.6120 ?              ?         
1 1 1 11 4  68  o 9.9190  3.9160 ?              ?         
1 1 1 11 4  69  o 7.4070  3.3800 ?              ?         
1 1 1 11 4  70  o 5.9660  2.9110 ?              ?         
1 1 1 11 4  71  o 9.4780  3.9200 ?              ?         
1 1 1 11 4  72  o 7.4160  3.4130 ?              ?         
1 1 1 11 4  73  o 6.4930  3.0680 ?              ?         
1 1 1 11 4  74  o 6.3980  3.0200 ?              ?         
1 1 1 11 4  75  o 10.840  3.8030 ?              ?         
1 1 1 11 4  76  o 7.0730  3.2180 ?              ?         
1 1 1 11 4  77  o 6.8600  3.1700 ?              ?         
1 1 1 11 4  78  o 6.9800  3.2370 ?              ?         
1 1 1 11 4  79  o 8.1350  3.4900 ?              ?         
1 1 1 11 4  80  f 6.3640  3.0240 ?              ?         
1 1 1 11 4  81  f 5.4500  2.6670 ?              ?         
1 1 1 11 4  82  o 7.3970  3.1730 ?              ?         
1 1 1 11 4  83  o 6.6070  3.0470 ?              ?         
1 1 1 11 4  84  o 5.2020  2.5790 ?              ?         
1 1 1 11 4  85  o 5.5960  2.7530 ?              ?         
1 1 1 11 4  86  o 5.6370  2.7730 ?              ?         
1 1 1 11 4  87  o 5.7260  2.7160 ?              ?         
1 1 1 11 4  88  o 5.0590  1.7540 0.4712000      3.508000  
1 1 1 11 4  89  o 5.4240  1.8560 -0.4640000     3.711000  
1 1 1 11 4  90  o 3.7330  1.3340 0.3674000      2.669000  
1 1 1 11 4  91  o 3.6520  1.2930 -0.2226000     2.586000  
1 1 1 11 5  0   o 76.020  1.7180 0.000000       0.000000  
1 1 1 11 5  1   o 11.450  0.5448 ?              ?         
1 1 1 11 5  2   o 31.040  0.5116 0.9437000      1.023000  
1 1 1 11 5  3   o 42.410  0.6847 0.1561000      1.369000  
1 1 1 11 5  4   o 35.510  0.8148 ?              ?         
1 1 1 11 5  5   o 30.030  0.4963 -0.2817000     0.9927000 
1 1 1 11 5  6   o 52.970  0.8521 1.547000       1.704000  
1 1 1 11 5  7   o 47.310  0.7629 -0.6852000E-01 1.526000  
1 1 1 11 5  8   o 27.540  0.5158 -1.654000      1.032000  
1 1 1 11 5  9   o 14.290  0.3159 0.7255000      0.6318000 
1 1 1 11 5  10  o 25.530  0.4918 0.4336000      0.9837000 
1 1 1 11 5  11  o 49.400  0.9817 -2.616000      1.963000  
1 1 1 11 5  12  o 9.0540  0.6091 ?              ?         
1 1 1 11 5  13  o 30.680  0.7069 -1.519000      1.414000  
1 1 1 11 5  14  o 18.710  0.5335 2.901000       1.067000  
1 1 1 11 5  15  o 31.260  0.7202 -1.600000      1.440000  
1 1 1 11 5  16  o 38.510  0.8754 -1.623000      1.751000  
1 1 1 11 5  17  o 28.900  0.6914 1.960000       1.383000  
1 1 1 11 5  18  o 48.370  1.0830 -4.517000      2.165000  
1 1 1 11 5  19  o 26.340  0.7310 11.05000       1.462000  
1 1 1 11 5  20  o 37.730  0.8481 -4.368000      1.696000  
1 1 1 11 5  21  o 26.800  0.7233 4.254000       1.447000  
1 1 1 11 5  22  o 60.790  1.3370 -10.11000      2.674000  
1 1 1 11 5  23  o 46.310  1.1130 7.732000       2.227000  
1 1 1 11 5  24  o 34.280  0.8192 2.562000       1.638000  
1 1 1 11 5  25  o 39.400  0.9679 -3.133000      1.936000  
1 1 1 11 5  26  o 36.000  0.9220 3.743000       1.844000  
1 1 1 11 5  27  o 17.120  0.6082 -0.5805000     1.216000  
1 1 1 11 5  28  o 47.680  1.1540 -4.719000      2.308000  
1 1 1 11 5  29  o 24.050  0.7133 3.486000       1.427000  
1 1 1 11 5  30  o 47.310  1.1600 -1.071000      2.320000  
1 1 1 11 5  31  o 9.6680  1.0730 6.698000       2.147000  
1 1 1 11 5  32  o 16.270  0.6958 -0.8526000     1.392000  
1 1 1 11 5  33  o 25.970  0.7508 -1.388000      1.502000  
1 1 1 11 5  34  o 18.470  0.7241 0.8591000E-01  1.448000  
1 1 1 11 5  35  o 45.300  1.1290 -2.283000      2.257000  
1 1 1 11 5  36  o 65.210  1.6050 -0.6844000     3.210000  
1 1 1 11 5  37  o 24.850  0.8088 5.000000       1.618000  
1 1 1 11 5  38  o 25.830  0.8003 0.9792000      1.601000  
1 1 1 11 5  39  o 37.170  0.9740 -0.7650000     1.948000  
1 1 1 11 5  40  o 27.520  0.8448 3.200000       1.690000  
1 1 1 11 5  41  o 14.960  0.9275 0.1806000      1.855000  
1 1 1 11 5  42  o 50.390  1.2750 -0.3498000     2.549000  
1 1 1 11 5  43  f 22.170  0.8940 6.721000       1.788000  
1 1 1 11 5  44  o 31.560  0.9187 -0.4349000     1.837000  
1 1 1 11 5  45  o 7.2320  1.4740 5.217000       2.948000  
1 1 1 11 5  46  o 21.920  0.8893 -0.4782000     1.779000  
1 1 1 11 5  47  o 14.120  1.2300 3.304000       2.459000  
1 1 1 11 5  48  o 10.080  1.6410 -0.6223000E-01 3.281000  
1 1 1 11 5  49  o 13.380  1.3140 0.6829000      2.628000  
1 1 1 11 5  50  o 20.190  1.4160 ?              ?         
1 1 1 11 5  51  o 18.960  1.0860 0.1785000E-01  2.171000  
1 1 1 11 5  52  f 6.8320  1.8410 -1.946000      3.683000  
1 1 1 11 5  53  o 7.5250  1.9370 0.5118000      3.874000  
1 1 1 11 5  54  o 8.7230  1.9820 -1.212000      3.963000  
1 1 1 11 5  55  o 12.960  1.7030 2.630000       3.406000  
1 1 1 11 5  56  o 16.380  1.9090 1.536000       3.817000  
1 1 1 11 5  57  o 10.930  2.2960 3.273000       4.592000  
1 1 1 11 5  58  o 12.840  2.3100 1.801000       4.621000  
1 1 1 11 5  59  o 29.690  1.4610 -0.2769000     2.923000  
1 1 1 11 5  60  o 25.360  1.5520 -1.656000      3.103000  
1 1 1 11 5  61  f 19.840  2.0240 4.077000       4.048000  
1 1 1 11 5  62  o 7.4620  2.3330 -1.737000      4.667000  
1 1 1 11 5  63  o 14.840  2.4560 -2.552000      4.913000  
1 1 1 11 5  64  o 9.1280  2.5600 -4.160000      5.121000  
1 1 1 11 5  65  o 11.400  2.5240 5.710000       5.048000  
1 1 1 11 5  66  o 8.8710  2.6230 -0.4509000     5.246000  
1 1 1 11 5  67  o 23.470  1.9620 -3.346000      3.924000  
1 1 1 11 5  68  f 8.9400  2.5760 -4.526000      5.152000  
1 1 1 11 5  69  o 8.0760  2.5170 0.2429000      5.034000  
1 1 1 11 5  70  o 7.6830  2.4810 -1.787000      4.962000  
1 1 1 11 5  71  o 6.9170  2.3190 -1.124000      4.639000  
1 1 1 11 5  72  o 7.8150  2.4600 2.128000       4.920000  
1 1 1 11 5  73  o 6.9970  2.3040 0.7524000E-01  4.608000  
1 1 1 11 5  74  o 7.9600  2.4350 2.273000       4.869000  
1 1 1 11 5  75  o 7.6500  2.3960 -4.136000      4.792000  
1 1 1 11 5  76  o 7.1380  2.3020 1.444000       4.605000  
1 1 1 11 5  77  o 7.4300  2.4020 -0.7343000     4.805000  
1 1 1 11 5  78  o 6.5480  2.2140 -0.8007000     4.428000  
1 1 1 11 5  79  f 7.2190  2.3200 1.470000       4.639000  
1 1 1 11 5  80  o 6.9170  2.2550 0.3126000      4.510000  
1 1 1 11 5  81  o 5.2170  1.8210 0.3710000      3.642000  
1 1 1 11 5  82  o 5.4430  1.8810 0.5427000E-01  3.762000  
1 1 1 11 5  83  o 5.6120  1.9290 0.4253000      3.857000  
1 1 1 11 5  84  o 5.1490  1.7990 0.6921000      3.598000  
1 1 1 11 5  85  o 7.3030  2.2900 3.429000       4.580000  
1 1 1 11 5  86  o 5.4980  1.8980 1.192000       3.796000  
1 1 1 11 5  87  o 5.8610  1.9730 0.7196000      3.946000  
1 1 1 11 5  88  o 5.0930  1.7630 0.7034000      3.526000  
1 1 1 11 5  89  o 4.6680  1.6430 0.4446000      3.285000  
1 1 1 11 5  90  o 3.7030  1.3200 0.3522000      2.640000  
1 1 1 11 5  91  o 4.4030  2.1740 ?              ?         
1 1 1 11 6  0   o 9.3560  0.5616 0.000000       0.000000  
1 1 1 11 6  1   o 34.030  0.5231 0.1110000      1.046000  
1 1 1 11 6  2   o 60.270  0.8367 -0.2366000     1.673000  
1 1 1 11 6  3   o 39.500  0.6026 0.6087000      1.205000  
1 1 1 11 6  4   o 58.830  0.8825 -0.1593000     1.765000  
1 1 1 11 6  5   o 10.930  0.4815 5.641000       0.9631000 
1 1 1 11 6  6   o 32.640  0.5065 -1.041000      1.013000  
1 1 1 11 6  8   o 64.120  1.0890 3.556000       2.178000  
1 1 1 11 6  9   o 36.820  0.6377 1.399000       1.275000  
1 1 1 11 6  10  f 64.560  1.0390 1.583000       2.078000  
1 1 1 11 6  11  o 32.690  0.6630 -0.3821000     1.326000  
1 1 1 11 6  12  o 23.630  0.4126 0.8474000      0.8252000 
1 1 1 11 6  13  f 12.030  0.3630 1.401000       0.7260000 
1 1 1 11 6  14  o 20.290  0.4207 -0.5947000     0.8413000 
1 1 1 11 6  15  o 31.070  0.5798 -1.179000      1.160000  
1 1 1 11 6  16  f 45.230  1.0170 -3.339000      2.034000  
1 1 1 11 6  17  o 49.010  1.1160 -0.4452000     2.233000  
1 1 1 11 6  18  f 56.390  1.2770 -2.251000      2.553000  
1 1 1 11 6  19  o 77.090  1.7380 -5.429000      3.475000  
1 1 1 11 6  20  o 43.970  1.1430 13.23000       2.285000  
1 1 1 11 6  21  o 45.720  1.0440 -1.071000      2.088000  
1 1 1 11 6  22  o 44.570  1.0110 -2.511000      2.021000  
1 1 1 11 6  23  o 39.060  0.9266 3.808000       1.853000  
1 1 1 11 6  24  o 37.900  0.8543 -5.268000      1.709000  
1 1 1 11 6  25  o 64.140  1.4430 -4.713000      2.885000  
1 1 1 11 6  26  o 25.670  0.7393 11.97000       1.479000  
1 1 1 11 6  27  o 54.690  1.2320 -4.241000      2.464000  
1 1 1 11 6  28  o 28.710  0.8175 9.370000       1.635000  
1 1 1 11 6  29  o 48.010  1.3850 -5.800000      2.770000  
1 1 1 11 6  30  o 54.390  1.3160 -4.078000      2.632000  
1 1 1 11 6  31  o 43.310  1.1120 6.658000       2.224000  
1 1 1 11 6  32  o 12.230  0.8649 3.212000       1.730000  
1 1 1 11 6  33  o 16.540  0.7095 -4.229000      1.419000  
1 1 1 11 6  34  o 61.560  1.4960 -3.589000      2.993000  
1 1 1 11 6  35  o 19.150  0.8042 7.189000       1.608000  
1 1 1 11 6  36  o 42.650  1.0720 -1.568000      2.144000  
1 1 1 11 6  37  f 12.780  1.0820 7.363000       2.163000  
1 1 1 11 6  38  o 14.010  0.8751 -0.5728000     1.750000  
1 1 1 11 6  39  o 24.550  0.7959 -0.6091000     1.592000  
1 1 1 11 6  40  o 34.750  0.9398 -1.994000      1.880000  
1 1 1 11 6  41  o 40.640  1.0640 1.063000       2.129000  
1 1 1 11 6  42  o 14.880  1.0010 2.656000       2.002000  
1 1 1 11 6  43  o 7.0600  1.5920 -0.2370000     3.185000  
1 1 1 11 6  44  o 27.560  0.8758 1.771000       1.752000  
1 1 1 11 6  45  o 6.4900  1.6660 -1.139000      3.331000  
1 1 1 11 6  46  o 20.240  0.9359 3.779000       1.872000  
1 1 1 11 6  47  o 24.360  0.9025 0.7078000E-02  1.805000  
1 1 1 11 6  48  f 20.620  0.9743 0.4382000      1.949000  
1 1 1 11 6  49  o 29.000  0.9657 1.205000       1.931000  
1 1 1 11 6  50  o 6.4690  1.7860 -0.1333000     3.572000  
1 1 1 11 6  51  o 21.770  1.0260 1.036000       2.052000  
1 1 1 11 6  52  o 6.3560  1.8150 0.8760000      3.630000  
1 1 1 11 6  53  o 21.030  1.0700 -1.400000      2.140000  
1 1 1 11 6  54  o 16.140  1.3510 -2.732000      2.702000  
1 1 1 11 6  55  o 7.5290  1.9310 -3.060000      3.862000  
1 1 1 11 6  56  o 17.760  1.3540 -0.1429000     2.707000  
1 1 1 11 6  57  o 24.010  1.1620 -1.309000      2.324000  
1 1 1 11 6  58  o 18.460  1.3850 2.962000       2.769000  
1 1 1 11 6  59  o 17.790  1.5050 -1.787000      3.010000  
1 1 1 11 6  60  f 13.530  1.9940 -0.2196000     3.987000  
1 1 1 11 6  61  o 7.9230  2.3220 1.649000       4.645000  
1 1 1 11 6  62  o 13.800  2.4740 0.7175000      4.947000  
1 1 1 11 6  63  o 7.5630  2.3250 0.9535000      4.650000  
1 1 1 11 6  64  o 15.790  2.5020 1.436000       5.004000  
1 1 1 11 6  65  o 8.8220  2.5260 2.476000       5.051000  
1 1 1 11 6  66  o 11.890  2.6570 -5.126000      5.314000  
1 1 1 11 6  67  o 17.020  2.3340 -0.6045000     4.668000  
1 1 1 11 6  68  o 9.1630  2.5800 -2.974000      5.160000  
1 1 1 11 6  69  o 9.4040  2.6720 -2.006000      5.345000  
1 1 1 11 6  70  o 8.2180  2.5360 -1.173000      5.073000  
1 1 1 11 6  71  f 6.4920  2.1840 -0.4920000     4.369000  
1 1 1 11 6  72  o 6.5430  2.1700 2.029000       4.340000  
1 1 1 11 6  73  o 9.6780  2.6770 -0.9466000     5.354000  
1 1 1 11 6  74  o 8.2550  2.4850 -1.092000      4.969000  
1 1 1 11 6  75  o 6.9510  2.2640 -1.419000      4.529000  
1 1 1 11 6  76  o 7.4250  2.3430 0.6283000      4.687000  
1 1 1 11 6  77  o 6.5810  2.1990 -1.057000      4.397000  
1 1 1 11 6  78  f 8.4690  2.5720 -0.7073000     5.144000  
1 1 1 11 6  79  o 6.5880  2.1800 0.6678000      4.360000  
1 1 1 11 6  80  o 5.7770  1.9730 -0.8875000     3.947000  
1 1 1 11 6  81  o 5.1370  1.8030 -1.588000      3.605000  
1 1 1 11 6  82  f 6.1490  2.0670 -2.193000      4.134000  
1 1 1 11 6  83  o 6.3020  2.0830 1.823000       4.165000  
1 1 1 11 6  84  o 5.4850  1.8940 -0.9743000E-01 3.788000  
1 1 1 11 6  85  o 6.2950  2.1120 -1.500000      4.224000  
1 1 1 11 6  86  o 5.2220  1.8170 0.7558000      3.635000  
1 1 1 11 6  87  o 4.5770  1.6310 -0.8788000     3.261000  
1 1 1 11 6  88  o 4.8410  1.7050 -1.588000      3.410000  
1 1 1 11 6  89  f 5.3930  1.8040 -0.1387000     3.607000  
1 1 1 11 6  90  o 4.3980  2.1750 ?              ?         
1 1 1 11 7  0   o 33.950  0.6837 -0.000000      0.000000  
1 1 1 11 7  1   o 40.400  0.5681 0.9590000E-01  1.136000  
1 1 1 11 7  2   o 45.040  0.6290 -0.1149000     1.258000  
1 1 1 11 7  3   o 39.100  0.5535 -0.4735000     1.107000  
1 1 1 11 7  4   o 39.200  0.5967 0.8468000      1.193000  
1 1 1 11 7  5   o 33.770  0.4839 0.9144000      0.9679000 
1 1 1 11 7  6   o 63.940  1.1000 -3.188000      2.199000  
1 1 1 11 7  7   f 29.150  0.5528 1.643000       1.106000  
1 1 1 11 7  8   o 46.360  0.7993 -1.256000      1.599000  
1 1 1 11 7  9   o 44.360  0.6718 -0.1648000     1.344000  
1 1 1 11 7  10  o 37.850  0.5783 0.6714000      1.157000  
1 1 1 11 7  11  o 15.920  0.4116 -0.3080000     0.8231000 
1 1 1 11 7  12  o 23.180  0.3899 0.8321000      0.7798000 
1 1 1 11 7  13  o 45.280  0.6858 0.6281000      1.372000  
1 1 1 11 7  14  o 25.400  0.5058 -5.857000      1.012000  
1 1 1 11 7  15  o 12.240  0.3692 1.288000       0.7385000 
1 1 1 11 7  16  o 47.280  0.8722 2.864000       1.744000  
1 1 1 11 7  17  o 29.590  0.6246 3.528000       1.249000  
1 1 1 11 7  18  o 50.660  0.8202 -1.509000      1.640000  
1 1 1 11 7  19  o 24.290  0.6913 9.652000       1.383000  
1 1 1 11 7  20  o 40.660  0.9172 -3.700000      1.834000  
1 1 1 11 7  21  o 40.150  0.9259 -0.1716000     1.852000  
1 1 1 11 7  22  o 24.170  0.6766 2.846000       1.353000  
1 1 1 11 7  23  o 60.740  1.3300 -11.48000      2.659000  
1 1 1 11 7  24  o 30.270  0.8854 20.27000       1.771000  
1 1 1 11 7  25  o 34.360  0.7920 -3.893000      1.584000  
1 1 1 11 7  26  f 26.140  0.6543 -0.6339000E-01 1.309000  
1 1 1 11 7  27  o 37.300  0.8486 -5.253000      1.697000  
1 1 1 11 7  28  o 21.260  0.6626 8.802000       1.325000  
1 1 1 11 7  29  o 49.020  1.1040 -5.070000      2.209000  
1 1 1 11 7  30  o 42.240  1.0060 3.651000       2.013000  
1 1 1 11 7  31  o 26.310  0.7540 1.327000       1.508000  
1 1 1 11 7  32  o 22.610  0.7028 -1.711000      1.406000  
1 1 1 11 7  33  o 19.030  0.7049 -0.9381000     1.410000  
1 1 1 11 7  34  o 13.930  0.7884 -1.814000      1.577000  
1 1 1 11 7  35  o 18.260  0.7437 1.876000       1.487000  
1 1 1 11 7  36  o 20.810  0.7371 -1.330000      1.474000  
1 1 1 11 7  37  o 34.540  0.9169 -0.4997000     1.834000  
1 1 1 11 7  38  o 24.400  0.8075 4.856000       1.615000  
1 1 1 11 7  39  o 23.190  0.7918 0.6136000      1.584000  
1 1 1 11 7  40  o 24.200  0.8023 1.315000       1.605000  
1 1 1 11 7  41  o 20.530  0.8161 2.334000       1.632000  
1 1 1 11 7  42  o 28.710  0.8543 -3.191000      1.709000  
1 1 1 11 7  43  o 9.4900  1.4440 5.056000       2.888000  
1 1 1 11 7  44  f 22.360  0.8740 -1.313000      1.748000  
1 1 1 11 7  45  o 36.120  1.0050 0.3897000      2.009000  
1 1 1 11 7  46  o 7.1440  1.6650 2.176000       3.329000  
1 1 1 11 7  47  o 34.170  0.9903 -1.212000      1.981000  
1 1 1 11 7  48  o 24.710  0.9476 2.919000       1.895000  
1 1 1 11 7  49  o 23.580  0.9937 3.703000       1.987000  
1 1 1 11 7  50  o 52.840  1.3630 -2.626000      2.726000  
1 1 1 11 7  51  o 31.330  1.0470 2.959000       2.095000  
1 1 1 11 7  52  o 15.430  1.3640 4.032000       2.728000  
1 1 1 11 7  53  o 11.050  1.7410 0.7409000E-01  3.482000  
1 1 1 11 7  54  o 6.3680  1.8270 2.262000       3.654000  
1 1 1 11 7  55  o 7.8980  1.9720 -2.642000      3.943000  
1 1 1 11 7  56  o 20.800  1.2190 0.8291000      2.439000  
1 1 1 11 7  57  o 6.5040  1.9480 -0.3674000     3.896000  
1 1 1 11 7  58  o 11.130  2.0710 -2.703000      4.142000  
1 1 1 11 7  59  o 14.730  1.7960 -1.988000      3.593000  
1 1 1 11 7  60  o 6.9550  2.0900 -0.8681000     4.179000  
1 1 1 11 7  61  o 28.670  1.6610 ?              ?         
1 1 1 11 7  62  f 8.1210  2.2510 -0.5995000E-01 4.501000  
1 1 1 11 7  63  o 14.740  1.9950 3.339000       3.990000  
1 1 1 11 7  64  o 9.0550  2.2720 -1.920000      4.543000  
1 1 1 11 7  65  o 7.4430  2.1350 -1.703000      4.269000  
1 1 1 11 7  66  o 5.5330  1.8290 1.006000       3.659000  
1 1 1 11 7  67  o 18.490  2.0560 1.261000       4.112000  
1 1 1 11 7  68  f 9.1990  2.5880 1.504000       5.175000  
1 1 1 11 7  69  o 9.4780  2.5710 2.233000       5.141000  
1 1 1 11 7  70  f 6.5830  2.1660 1.597000       4.331000  
1 1 1 11 7  71  o 9.7230  2.6550 1.962000       5.309000  
1 1 1 11 7  72  f 6.5700  2.1930 -0.5569000     4.387000  
1 1 1 11 7  73  o 7.7220  2.4330 0.8200000      4.866000  
1 1 1 11 7  74  o 6.2480  2.1020 0.9307000      4.203000  
1 1 1 11 7  75  o 9.2200  2.5560 4.153000       5.112000  
1 1 1 11 7  76  f 6.8250  2.2490 0.2084000      4.499000  
1 1 1 11 7  77  o 8.0980  2.4920 -0.2047000     4.984000  
1 1 1 11 7  78  o 6.8110  2.2350 -0.9889000     4.470000  
1 1 1 11 7  79  o 6.1940  2.0470 1.232000       4.094000  
1 1 1 11 7  80  f 7.7140  2.3240 1.038000       4.648000  
1 1 1 11 7  81  o 6.4320  2.1170 -0.7025000     4.233000  
1 1 1 11 7  82  o 5.1120  1.7940 -0.6635000     3.589000  
1 1 1 11 7  83  o 5.3210  1.8480 0.9534000      3.696000  
1 1 1 11 7  84  o 5.6620  1.9530 -0.2718000     3.906000  
1 1 1 11 7  85  o 5.2390  1.8270 0.1440000      3.654000  
1 1 1 11 7  86  o 5.1650  1.8000 1.139000       3.600000  
1 1 1 11 7  87  o 5.3020  1.8450 1.804000       3.691000  
1 1 1 11 7  88  o 4.4540  1.5580 -0.6716000     3.117000  
1 1 1 11 7  89  o 4.6240  1.5800 1.058000       3.160000  
1 1 1 11 8  0   o 2.3580  1.3590 0.000000       0.000000  
1 1 1 11 8  1   o 12.650  0.3519 -1.173000      0.7038000 
1 1 1 11 8  2   o 43.680  0.6137 0.8251000      1.227000  
1 1 1 11 8  3   o 28.210  0.4488 -1.387000      0.8976000 
1 1 1 11 8  4   o 92.660  1.2880 0.6790000      2.576000  
1 1 1 11 8  5   o 37.800  0.7650 -4.602000      1.530000  
1 1 1 11 8  6   o 9.0740  0.4252 0.9230000E-01  0.8505000 
1 1 1 11 8  7   o 19.260  0.4239 0.2320000      0.8478000 
1 1 1 11 8  8   o 68.130  1.1700 -2.846000      2.340000  
1 1 1 11 8  9   o 55.930  0.8438 0.3933000      1.688000  
1 1 1 11 8  10  o 58.790  0.8812 4.558000       1.762000  
1 1 1 11 8  11  o 55.480  0.8396 -2.392000      1.679000  
1 1 1 11 8  12  o 38.960  0.6026 -1.441000      1.205000  
1 1 1 11 8  13  o 25.730  0.4242 1.510000       0.8485000 
1 1 1 11 8  14  o 50.540  0.7621 1.490000       1.524000  
1 1 1 11 8  15  o 37.830  0.6887 -0.3042000     1.377000  
1 1 1 11 8  16  o 26.710  0.4924 -2.166000      0.9848000 
1 1 1 11 8  17  o 11.250  0.4106 0.1979000      0.8213000 
1 1 1 11 8  18  f 37.930  0.6325 0.5062000      1.265000  
1 1 1 11 8  19  o 29.410  0.5196 -0.3082000     1.039000  
1 1 1 11 8  20  o 28.410  0.5036 0.1267000      1.007000  
1 1 1 11 8  21  o 32.170  0.5538 -1.927000      1.108000  
1 1 1 11 8  22  o 27.360  0.5607 1.268000       1.121000  
1 1 1 11 8  23  o 17.920  0.4663 0.5730000      0.9326000 
1 1 1 11 8  24  o 37.280  0.7035 -2.103000      1.407000  
1 1 1 11 8  25  o 55.200  1.0000 -2.199000      2.001000  
1 1 1 11 8  26  o 37.860  0.7199 0.3852000      1.440000  
1 1 1 11 8  27  o 24.040  0.6968 5.139000       1.394000  
1 1 1 11 8  28  o 17.770  0.5861 -2.254000      1.172000  
1 1 1 11 8  29  o 34.050  0.8145 -0.6178000     1.629000  
1 1 1 11 8  30  o 8.9460  0.8327 7.012000       1.665000  
1 1 1 11 8  31  o 24.250  0.7349 1.862000       1.470000  
1 1 1 11 8  32  o 29.520  0.7229 -3.471000      1.446000  
1 1 1 11 8  33  o 38.690  0.9140 -0.8260000     1.828000  
1 1 1 11 8  34  f 24.830  0.7496 -4.026000      1.499000  
1 1 1 11 8  35  o 49.090  1.2160 -1.861000      2.432000  
1 1 1 11 8  36  o 44.780  1.1390 1.999000       2.278000  
1 1 1 11 8  37  o 20.190  0.7852 1.145000       1.570000  
1 1 1 11 8  38  o 42.100  1.0810 0.7419000      2.163000  
1 1 1 11 8  39  o 22.350  0.8165 3.081000       1.633000  
1 1 1 11 8  40  o 11.130  1.2490 4.248000       2.497000  
1 1 1 11 8  41  o 19.530  0.8323 -2.390000      1.665000  
1 1 1 11 8  42  o 13.730  1.0520 -1.167000      2.104000  
1 1 1 11 8  43  f 39.240  1.0480 1.063000       2.097000  
1 1 1 11 8  44  o 27.520  0.8868 -2.016000      1.774000  
1 1 1 11 8  45  o 15.670  1.0720 1.880000       2.144000  
1 1 1 11 8  46  o 28.620  0.9242 -0.1729000     1.848000  
1 1 1 11 8  47  o 14.970  1.1530 -3.065000      2.305000  
1 1 1 11 8  48  f 28.060  0.9383 -2.572000      1.877000  
1 1 1 11 8  49  o 29.270  0.9824 1.102000       1.965000  
1 1 1 11 8  50  o 23.510  1.0280 2.609000       2.056000  
1 1 1 11 8  51  o 21.080  1.0680 3.416000       2.135000  
1 1 1 11 8  52  o 44.070  1.1980 0.7166000      2.395000  
1 1 1 11 8  53  o 8.3860  1.9630 1.260000       3.926000  
1 1 1 11 8  54  o 7.9640  1.9700 -1.550000      3.940000  
1 1 1 11 8  55  f 7.4800  1.9500 -3.211000      3.901000  
1 1 1 11 8  56  o 14.390  1.5750 0.6430000      3.150000  
1 1 1 11 8  57  o 10.870  2.0080 -0.1741000     4.017000  
1 1 1 11 8  58  o 13.490  1.8130 -2.698000      3.625000  
1 1 1 11 8  59  o 9.8140  2.1980 -2.729000      4.396000  
1 1 1 11 8  60  o 24.950  1.2550 -0.1234000     2.510000  
1 1 1 11 8  61  f 11.990  2.1580 -2.223000      4.316000  
1 1 1 11 8  62  o 20.600  1.4400 -1.861000      2.880000  
1 1 1 11 8  63  o 11.450  2.1340 -3.895000      4.269000  
1 1 1 11 8  64  o 8.6500  2.2080 -0.6524000     4.417000  
1 1 1 11 8  65  o 14.290  1.9830 -5.097000      3.966000  
1 1 1 11 8  66  o 7.1040  2.0510 -3.222000      4.102000  
1 1 1 11 8  67  o 9.3580  3.2900 ?              ?         
1 1 1 11 8  68  o 6.6620  2.0640 2.368000       4.128000  
1 1 1 11 8  69  o 7.2180  2.1490 1.849000       4.297000  
1 1 1 11 8  70  f 8.5710  2.2250 3.388000       4.451000  
1 1 1 11 8  71  o 6.5300  2.0480 1.608000       4.097000  
1 1 1 11 8  72  o 7.1390  2.3090 -0.1388000     4.617000  
1 1 1 11 8  73  o 8.4690  2.5220 -5.249000      5.044000  
1 1 1 11 8  74  o 7.2660  2.3460 -0.3657000     4.693000  
1 1 1 11 8  75  o 10.500  2.7600 -0.6604000     5.520000  
1 1 1 11 8  76  o 7.5000  2.4080 -0.7770000     4.815000  
1 1 1 11 8  77  o 8.6530  2.5540 -1.666000      5.108000  
1 1 1 11 8  78  o 6.0470  2.0450 -1.361000      4.091000  
1 1 1 11 8  79  o 5.2190  1.8120 0.9331000E-01  3.623000  
1 1 1 11 8  80  o 5.6440  1.9320 0.6444000      3.864000  
1 1 1 11 8  81  o 6.5400  2.1670 -1.763000      4.334000  
1 1 1 11 8  82  o 4.6490  1.6550 0.2910000      3.311000  
1 1 1 11 8  83  o 5.8010  1.9880 -1.493000      3.976000  
1 1 1 11 8  84  o 7.5600  2.3300 -1.977000      4.659000  
1 1 1 11 8  85  o 4.9040  1.7290 0.6248000      3.457000  
1 1 1 11 8  86  o 5.4870  1.8890 0.3628000      3.777000  
1 1 1 11 8  87  o 4.6150  1.6190 -0.8144000     3.239000  
1 1 1 11 8  88  o 4.3280  1.5050 0.6370000      3.010000  
1 1 1 11 8  89  o 3.5060  1.7790 ?              ?         
1 1 1 11 9  0   o 38.420  0.7704 -0.000000      0.000000  
1 1 1 11 9  1   o 29.330  0.5553 1.510000       1.111000  
1 1 1 11 9  2   f 41.900  0.5891 -1.337000      1.178000  
1 1 1 11 9  3   o 23.530  0.3957 1.753000       0.7915000 
1 1 1 11 9  4   o 39.400  0.5560 0.4634000      1.112000  
1 1 1 11 9  5   f 31.040  0.4871 1.909000       0.9742000 
1 1 1 11 9  6   o 18.790  0.3866 -0.1803000     0.7732000 
1 1 1 11 9  7   o 15.030  0.4065 -4.434000      0.8130000 
1 1 1 11 9  8   o 72.520  1.0920 -1.116000      2.183000  
1 1 1 11 9  9   o 56.250  0.9620 0.2384000      1.924000  
1 1 1 11 9  10  o 55.740  0.8371 1.526000       1.674000  
1 1 1 11 9  11  o 75.800  1.1350 4.879000       2.270000  
1 1 1 11 9  12  o 49.140  0.8444 0.9231000      1.689000  
1 1 1 11 9  13  o 17.310  0.4497 -4.599000      0.8995000 
1 1 1 11 9  14  o 24.440  0.4190 -1.480000      0.8380000 
1 1 1 11 9  15  o 36.360  0.6089 4.486000       1.218000  
1 1 1 11 9  16  o 35.010  0.5493 -0.3188000     1.099000  
1 1 1 11 9  17  o 9.1370  0.6893 -9.041000      1.379000  
1 1 1 11 9  18  f 67.510  1.2120 3.117000       2.425000  
1 1 1 11 9  19  o 50.270  0.9133 -6.556000      1.827000  
1 1 1 11 9  20  o 23.100  0.6646 ?              ?         
1 1 1 11 9  21  o 25.220  0.5078 -2.872000      1.016000  
1 1 1 11 9  22  o 7.0220  0.7971 5.907000       1.594000  
1 1 1 11 9  23  o 19.750  0.4353 -0.9494000     0.8706000 
1 1 1 11 9  24  o 12.560  0.4751 2.034000       0.9503000 
1 1 1 11 9  25  o 35.870  0.7111 3.513000       1.422000  
1 1 1 11 9  26  o 59.360  1.0800 -1.354000      2.160000  
1 1 1 11 9  27  o 51.690  0.9466 -2.242000      1.893000  
1 1 1 11 9  28  o 46.550  0.8670 -0.7997000     1.734000  
1 1 1 11 9  29  o 35.910  0.7030 1.119000       1.406000  
1 1 1 11 9  30  o 27.490  0.5991 -0.5139000E-01 1.198000  
1 1 1 11 9  31  o 35.340  0.6913 -1.289000      1.383000  
1 1 1 11 9  32  o 11.980  0.8263 ?              ?         
1 1 1 11 9  33  o 9.3910  0.7767 -0.6321000E-02 1.553000  
1 1 1 11 9  34  o 47.300  1.0860 -3.193000      2.173000  
1 1 1 11 9  35  o 34.320  0.8375 -0.6276000     1.675000  
1 1 1 11 9  36  o 39.280  0.9976 -1.161000      1.995000  
1 1 1 11 9  37  o 11.150  0.9473 10.74000       1.895000  
1 1 1 11 9  38  o 12.910  0.9720 -3.189000      1.944000  
1 1 1 11 9  39  o 48.040  1.2120 -1.207000      2.424000  
1 1 1 11 9  40  o 12.810  1.2240 6.411000       2.448000  
1 1 1 11 9  41  o 50.070  1.2590 -2.177000      2.518000  
1 1 1 11 9  42  o 20.340  0.9279 6.988000       1.856000  
1 1 1 11 9  43  o 13.120  1.1570 0.1524000      2.313000  
1 1 1 11 9  44  o 15.980  1.0510 3.269000       2.103000  
1 1 1 11 9  45  o 6.8730  1.6510 -3.308000      3.302000  
1 1 1 11 9  46  f 39.070  1.0630 -1.673000      2.126000  
1 1 1 11 9  47  o 21.260  0.9860 -0.7302000     1.972000  
1 1 1 11 9  48  f 21.820  0.9952 3.593000       1.990000  
1 1 1 11 9  49  o 23.030  0.9797 -1.232000      1.959000  
1 1 1 11 9  50  f 18.030  1.1280 0.8455000      2.256000  
1 1 1 11 9  51  o 20.390  1.1020 2.637000       2.204000  
1 1 1 11 9  52  f 16.620  1.2590 -2.979000      2.518000  
1 1 1 11 9  53  o 11.530  1.7460 -1.990000      3.491000  
1 1 1 11 9  54  o 15.400  1.3700 -1.033000      2.740000  
1 1 1 11 9  55  o 5.5180  1.7550 -1.113000      3.509000  
1 1 1 11 9  56  f 12.630  1.7710 -3.390000      3.541000  
1 1 1 11 9  57  f 16.010  1.5400 1.686000       3.079000  
1 1 1 11 9  58  o 7.9610  2.0850 -2.383000      4.170000  
1 1 1 11 9  59  o 7.6000  2.0160 3.673000       4.033000  
1 1 1 11 9  60  f 8.9080  2.1360 -1.231000      4.273000  
1 1 1 11 9  61  o 8.9720  2.0730 -3.941000      4.146000  
1 1 1 11 9  62  o 15.860  1.6360 0.7046000E-01  3.273000  
1 1 1 11 9  63  f 8.3710  2.2100 -0.3018000     4.419000  
1 1 1 11 9  64  o 9.5320  2.2630 2.104000       4.525000  
1 1 1 11 9  65  o 7.9570  2.1480 -3.347000      4.296000  
1 1 1 11 9  66  o 10.600  2.2420 2.911000       4.483000  
1 1 1 11 9  67  o 8.9560  2.2700 -1.823000      4.540000  
1 1 1 11 9  68  f 9.6100  2.2660 3.277000       4.531000  
1 1 1 11 9  69  f 6.6220  2.0650 0.2756000E-03  4.129000  
1 1 1 11 9  70  f 6.7380  2.0770 0.8239000      4.153000  
1 1 1 11 9  71  o 6.3250  2.0150 0.2611000      4.029000  
1 1 1 11 9  72  o 5.8480  1.9150 0.7342000      3.831000  
1 1 1 11 9  73  o 9.1430  2.3300 0.3003000      4.660000  
1 1 1 11 9  74  f 7.3820  3.1380 ?              ?         
1 1 1 11 9  75  o 6.5830  2.0820 1.686000       4.164000  
1 1 1 11 9  76  f 7.2500  2.3230 -1.743000      4.647000  
1 1 1 11 9  77  o 5.6280  1.9390 -0.7476000     3.878000  
1 1 1 11 9  78  o 7.3220  2.3150 -0.7532000     4.629000  
1 1 1 11 9  79  o 5.7420  1.9590 -0.4079000     3.918000  
1 1 1 11 9  80  o 5.3920  1.8830 -1.175000      3.766000  
1 1 1 11 9  81  o 4.5240  1.6110 -0.3042000     3.222000  
1 1 1 11 9  82  o 6.0240  2.0390 -0.3900000     4.077000  
1 1 1 11 9  83  o 5.2900  1.8550 -1.898000      3.710000  
1 1 1 11 9  84  o 4.9990  1.7490 -0.3738000     3.498000  
1 1 1 11 9  85  o 4.7570  1.6760 -0.1817000     3.352000  
1 1 1 11 9  86  o 5.0010  1.7170 0.7664000      3.435000  
1 1 1 11 9  87  f 4.8670  1.6430 -0.1679000     3.286000  
1 1 1 11 9  88  o 4.8860  1.6300 -0.3440000     3.259000  
1 1 1 11 10 0   o 46.670  1.0750 0.000000       0.000000  
1 1 1 11 10 1   o 81.280  1.1280 0.3734000      2.257000  
1 1 1 11 10 2   o 50.240  0.8113 1.474000       1.623000  
1 1 1 11 10 3   o 40.230  0.5716 -0.6669000     1.143000  
1 1 1 11 10 4   o 21.990  0.3889 3.071000       0.7778000 
1 1 1 11 10 5   o 21.880  0.4623 0.1257000      0.9247000 
1 1 1 11 10 6   o 68.910  0.9590 1.512000       1.918000  
1 1 1 11 10 7   o 28.370  0.6152 -1.567000      1.230000  
1 1 1 11 10 8   o 36.660  0.5667 -2.597000      1.133000  
1 1 1 11 10 9   o 74.650  1.0360 0.4768000      2.072000  
1 1 1 11 10 10  o 46.100  0.8551 -7.390000      1.710000  
1 1 1 11 10 11  o 56.220  0.8475 2.676000       1.695000  
1 1 1 11 10 12  o 31.140  0.7678 ?              ?         
1 1 1 11 10 13  o 60.980  0.9834 5.636000       1.967000  
1 1 1 11 10 14  o 59.340  0.8978 -2.287000      1.796000  
1 1 1 11 10 15  o 61.620  1.0320 8.028000       2.065000  
1 1 1 11 10 16  o 29.500  0.7415 ?              ?         
1 1 1 11 10 17  o 29.360  0.4787 1.006000       0.9575000 
1 1 1 11 10 18  o 45.860  0.6991 0.6563000      1.398000  
1 1 1 11 10 19  o 17.620  0.4811 -4.373000      0.9622000 
1 1 1 11 10 20  o 30.660  0.5349 -1.350000      1.070000  
1 1 1 11 10 21  o 21.050  0.4905 -0.4288000     0.9810000 
1 1 1 11 10 22  o 29.520  0.5258 0.3671000      1.052000  
1 1 1 11 10 23  o 36.510  0.6218 -0.1085000     1.244000  
1 1 1 11 10 24  o 65.700  1.0620 -3.576000      2.125000  
1 1 1 11 10 25  o 42.380  0.7931 3.421000       1.586000  
1 1 1 11 10 26  o 39.570  0.6684 -0.1538000     1.337000  
1 1 1 11 10 27  o 21.230  0.5875 -2.571000      1.175000  
1 1 1 11 10 28  o 11.560  0.5178 1.573000       1.036000  
1 1 1 11 10 29  o 27.500  0.5991 -1.798000      1.198000  
1 1 1 11 10 30  o 28.370  0.6242 -0.5649000     1.248000  
1 1 1 11 10 31  o 33.760  0.6758 -1.310000      1.352000  
1 1 1 11 10 32  o 32.280  0.6647 1.361000       1.329000  
1 1 1 11 10 33  o 13.890  0.6212 3.348000       1.242000  
1 1 1 11 10 34  o 13.950  0.6536 -1.986000      1.307000  
1 1 1 11 10 35  f 25.300  0.6012 -0.7231000     1.202000  
1 1 1 11 10 36  o 23.710  0.6076 0.4535000      1.215000  
1 1 1 11 10 37  o 26.960  0.6244 -2.163000      1.249000  
1 1 1 11 10 38  o 17.550  0.6784 0.6207000      1.357000  
1 1 1 11 10 39  o 15.660  0.6990 -2.078000      1.398000  
1 1 1 11 10 40  o 27.660  0.8507 -3.080000      1.701000  
1 1 1 11 10 41  o 23.580  0.8461 0.5197000      1.692000  
1 1 1 11 10 42  f 23.850  0.8389 -3.247000      1.678000  
1 1 1 11 10 43  o 19.140  0.9091 -1.972000      1.818000  
1 1 1 11 10 44  o 31.720  0.9486 0.7353000      1.897000  
1 1 1 11 10 45  o 21.650  0.9338 0.6267000      1.868000  
1 1 1 11 10 46  o 16.140  1.0970 0.7568000      2.194000  
1 1 1 11 10 47  o 24.350  0.9558 3.679000       1.912000  
1 1 1 11 10 48  f 23.210  0.9690 -1.884000      1.938000  
1 1 1 11 10 49  o 38.720  1.0870 -1.836000      2.173000  
1 1 1 11 10 50  o 25.120  1.0540 5.511000       2.107000  
1 1 1 11 10 51  o 42.210  1.1580 -2.970000      2.317000  
1 1 1 11 10 52  o 12.730  1.7100 8.717000       3.420000  
1 1 1 11 10 53  o 18.660  1.2030 3.002000       2.406000  
1 1 1 11 10 54  f 10.050  1.9440 -3.525000      3.888000  
1 1 1 11 10 55  o 8.3160  2.0030 -2.773000      4.007000  
1 1 1 11 10 56  o 5.5580  1.7640 0.5533000      3.528000  
1 1 1 11 10 57  o 17.840  1.3640 -0.4535000     2.728000  
1 1 1 11 10 58  o 13.620  1.6930 -0.7021000     3.385000  
1 1 1 11 10 59  o 6.6520  1.9340 -2.152000      3.868000  
1 1 1 11 10 60  o 6.2010  1.8930 -0.5014000     3.787000  
1 1 1 11 10 61  o 9.9670  1.9470 -6.680000      3.893000  
1 1 1 11 10 62  o 20.220  1.3770 -3.838000      2.753000  
1 1 1 11 10 63  o 13.480  1.9710 0.4828000      3.941000  
1 1 1 11 10 64  o 6.3380  1.9720 -1.270000      3.944000  
1 1 1 11 10 65  o 9.9140  2.2270 1.789000       4.454000  
1 1 1 11 10 66  o 16.120  1.8110 -2.517000      3.623000  
1 1 1 11 10 67  o 9.2660  2.2260 -4.066000      4.453000  
1 1 1 11 10 68  o 8.4550  2.2800 0.1954000      4.559000  
1 1 1 11 10 69  o 7.6090  2.2080 -1.032000      4.415000  
1 1 1 11 10 70  o 7.4240  2.1720 -0.8663000     4.343000  
1 1 1 11 10 71  o 6.0740  1.9680 0.6871000      3.937000  
1 1 1 11 10 72  o 5.6090  1.8660 1.025000       3.732000  
1 1 1 11 10 73  o 5.6970  1.8940 -1.486000      3.789000  
1 1 1 11 10 74  f 5.9100  1.9460 -0.5882000E-01 3.892000  
1 1 1 11 10 75  o 7.1810  2.1780 -0.5362000     4.356000  
1 1 1 11 10 76  o 5.2810  1.7890 -0.4938000     3.578000  
1 1 1 11 10 77  o 6.3830  2.0310 -1.031000      4.062000  
1 1 1 11 10 78  f 5.9330  1.9140 -1.133000      3.828000  
1 1 1 11 10 79  o 5.8860  1.8910 -2.313000      3.782000  
1 1 1 11 10 80  o 4.6500  1.6130 1.625000       3.225000  
1 1 1 11 10 81  o 6.0400  2.9560 ?              ?         
1 1 1 11 10 82  f 5.2970  2.6410 ?              ?         
1 1 1 11 10 83  o 5.0310  1.7470 -0.8236000     3.493000  
1 1 1 11 10 84  o 4.4510  1.5860 -1.071000      3.172000  
1 1 1 11 10 85  o 5.1540  1.7560 0.4407000      3.512000  
1 1 1 11 10 86  o 4.5070  1.5560 0.8952000      3.112000  
1 1 1 11 10 87  o 4.3240  2.1170 ?              ?         
1 1 1 11 11 0   o 57.370  1.1300 -0.000000      0.000000  
1 1 1 11 11 1   o 35.390  0.5497 1.711000       1.099000  
1 1 1 11 11 2   o 32.570  0.5114 -0.3809000     1.023000  
1 1 1 11 11 3   o 47.230  0.6630 -0.8142000     1.326000  
1 1 1 11 11 4   o 35.960  0.5623 -0.2579000     1.125000  
1 1 1 11 11 5   o 54.420  0.7593 -0.4210000     1.519000  
1 1 1 11 11 6   f 37.640  0.5820 2.478000       1.164000  
1 1 1 11 11 7   o 35.250  0.5454 -0.2461000     1.091000  
1 1 1 11 11 8   o 28.550  0.5034 -3.703000      1.007000  
1 1 1 11 11 9   o 57.110  0.7967 -0.5669000     1.593000  
1 1 1 11 11 10  o 25.730  0.5373 0.7154000      1.075000  
1 1 1 11 11 11  o 63.810  0.9613 2.091000       1.923000  
1 1 1 11 11 12  o 86.420  1.1990 -0.7913000     2.397000  
1 1 1 11 11 13  o 34.840  0.8480 ?              ?         
1 1 1 11 11 14  o 29.590  0.5253 -4.740000      1.051000  
1 1 1 11 11 15  o 28.960  0.4743 1.060000       0.9486000 
1 1 1 11 11 16  o 59.510  0.9656 5.488000       1.931000  
1 1 1 11 11 17  o 21.830  0.6401 ?              ?         
1 1 1 11 11 18  o 38.000  0.7270 8.530000       1.454000  
1 1 1 11 11 19  o 69.450  1.0460 0.9395000      2.091000  
1 1 1 11 11 20  o 30.360  0.6192 -3.987000      1.238000  
1 1 1 11 11 21  o 23.180  0.4265 0.8818000      0.8531000 
1 1 1 11 11 22  o 32.870  0.5716 -2.784000      1.143000  
1 1 1 11 11 23  f 30.680  0.5489 -0.4431000     1.098000  
1 1 1 11 11 24  o 41.870  0.6998 -2.284000      1.400000  
1 1 1 11 11 25  o 22.420  0.5261 1.290000       1.052000  
1 1 1 11 11 26  o 54.650  0.8945 -2.052000      1.789000  
1 1 1 11 11 27  o 41.260  0.7004 0.6185000      1.401000  
1 1 1 11 11 28  o 58.450  0.9538 -0.9204000     1.908000  
1 1 1 11 11 29  f 33.000  1.0640 ?              ?         
1 1 1 11 11 30  o 25.870  0.5184 -0.8357000     1.037000  
1 1 1 11 11 31  o 15.600  0.5276 -0.2488000     1.055000  
1 1 1 11 11 32  o 37.060  0.9098 ?              ?         
1 1 1 11 11 33  o 51.580  0.9571 -2.342000      1.914000  
1 1 1 11 11 34  o 10.110  1.1420 ?              ?         
1 1 1 11 11 35  o 10.010  0.8543 -0.8865000E-01 1.709000  
1 1 1 11 11 36  o 6.7560  1.2070 0.8856000E-01  2.414000  
1 1 1 11 11 37  o 33.110  0.6965 -0.4739000     1.393000  
1 1 1 11 11 38  o 9.1090  0.9727 4.673000       1.945000  
1 1 1 11 11 39  o 14.590  0.7491 -3.543000      1.498000  
1 1 1 11 11 40  o 30.990  0.7009 0.9519000      1.402000  
1 1 1 11 11 41  o 6.9200  1.2580 4.699000       2.515000  
1 1 1 11 11 42  o 12.430  0.8954 1.614000       1.791000  
1 1 1 11 11 43  o 18.590  0.7011 -0.2352000     1.402000  
1 1 1 11 11 44  o 11.280  1.0450 -2.112000      2.090000  
1 1 1 11 11 45  o 14.580  1.0550 -0.9478000     2.109000  
1 1 1 11 11 46  o 14.150  1.2380 0.7240000      2.477000  
1 1 1 11 11 47  o 35.370  1.0260 -2.054000      2.051000  
1 1 1 11 11 48  o 38.180  1.0920 3.164000       2.185000  
1 1 1 11 11 49  o 9.9250  1.7600 3.532000       3.520000  
1 1 1 11 11 50  o 9.5520  1.8180 -1.029000      3.637000  
1 1 1 11 11 51  o 18.400  1.1520 -2.567000      2.304000  
1 1 1 11 11 52  o 17.390  1.2020 0.2033000      2.403000  
1 1 1 11 11 53  o 20.300  1.1570 0.3987000E-01  2.315000  
1 1 1 11 11 54  f 7.8590  1.9660 0.2205000      3.932000  
1 1 1 11 11 55  o 7.1710  1.9540 -0.6419000     3.908000  
1 1 1 11 11 56  o 22.680  1.1010 -1.995000      2.203000  
1 1 1 11 11 57  o 7.8330  1.8180 5.108000       3.637000  
1 1 1 11 11 58  o 14.930  1.5510 -1.503000      3.103000  
1 1 1 11 11 59  o 12.590  1.8250 -3.436000      3.649000  
1 1 1 11 11 60  o 18.100  1.3670 -3.867000      2.735000  
1 1 1 11 11 61  o 19.650  1.3390 1.608000       2.678000  
1 1 1 11 11 62  o 8.2200  2.1430 1.088000       4.285000  
1 1 1 11 11 63  f 7.8840  2.1170 -2.397000      4.233000  
1 1 1 11 11 64  o 21.740  1.3320 -0.5823000     2.664000  
1 1 1 11 11 65  o 8.0040  2.0720 3.768000       4.144000  
1 1 1 11 11 66  o 8.1870  2.1920 -0.6654000     4.383000  
1 1 1 11 11 67  o 6.1020  1.9250 0.5031000      3.849000  
1 1 1 11 11 68  o 7.5160  2.1840 0.2891000      4.368000  
1 1 1 11 11 69  o 13.140  2.1410 -3.383000      4.282000  
1 1 1 11 11 70  o 8.0860  2.2660 -1.341000      4.533000  
1 1 1 11 11 71  o 7.0940  2.1300 2.103000       4.259000  
1 1 1 11 11 72  o 5.9610  1.9490 1.341000       3.899000  
1 1 1 11 11 73  o 5.8980  1.9410 -1.042000      3.882000  
1 1 1 11 11 74  o 6.4010  2.0270 -0.9384000     4.053000  
1 1 1 11 11 75  o 7.5180  2.1750 -1.748000      4.350000  
1 1 1 11 11 76  o 5.4920  1.8380 0.6860000      3.677000  
1 1 1 11 11 77  o 5.8330  1.9210 -0.4810000     3.842000  
1 1 1 11 11 78  o 5.0720  1.7330 -0.7789000E-01 3.467000  
1 1 1 11 11 79  f 5.6610  1.8840 -0.3745000     3.769000  
1 1 1 11 11 80  f 7.2430  2.1020 -3.081000      4.204000  
1 1 1 11 11 81  o 6.8700  2.0340 -1.250000      4.068000  
1 1 1 11 11 82  o 4.4660  1.5430 -0.5879000     3.086000  
1 1 1 11 11 83  o 4.1240  1.4540 0.3947000      2.908000  
1 1 1 11 11 84  o 4.0180  1.4010 0.1999000      2.802000  
1 1 1 11 11 85  o 4.9960  1.6640 0.5204000      3.328000  
1 1 1 11 11 86  o 4.2340  2.0720 ?              ?         
1 1 1 11 12 0   o 41.560  0.8307 -0.000000      0.000000  
1 1 1 11 12 1   o 26.710  0.5323 -3.785000      1.065000  
1 1 1 11 12 2   o 68.320  0.9489 -0.9563000E-01 1.898000  
1 1 1 11 12 3   o 37.210  0.6225 1.496000       1.245000  
1 1 1 11 12 4   o 40.890  0.5819 -2.154000      1.164000  
1 1 1 11 12 5   o 49.530  0.6940 1.232000       1.388000  
1 1 1 11 12 6   o 27.610  0.4842 5.499000       0.9685000 
1 1 1 11 12 7   o 37.240  0.5348 -0.5318000     1.070000  
1 1 1 11 12 8   o 35.200  0.5128 -0.5505000     1.026000  
1 1 1 11 12 9   f 14.880  0.4054 -1.319000      0.8108000 
1 1 1 11 12 10  o 51.520  0.7857 -2.521000      1.571000  
1 1 1 11 12 11  o 37.330  0.7714 -3.833000      1.543000  
1 1 1 11 12 12  o 68.920  0.9636 1.031000       1.927000  
1 1 1 11 12 13  o 32.760  0.6367 3.042000       1.273000  
1 1 1 11 12 14  o 44.450  0.6325 -3.231000      1.265000  
1 1 1 11 12 15  o 18.220  0.6976 ?              ?         
1 1 1 11 12 16  f 30.070  0.5337 3.622000       1.067000  
1 1 1 11 12 17  o 56.930  0.8630 0.9736000      1.726000  
1 1 1 11 12 18  o 38.470  0.6939 -1.701000      1.388000  
1 1 1 11 12 19  o 56.910  0.8631 1.131000       1.726000  
1 1 1 11 12 20  o 31.200  0.6333 -3.015000      1.267000  
1 1 1 11 12 21  o 31.730  0.5227 0.4965000      1.045000  
1 1 1 11 12 22  o 17.110  0.5018 -0.8187000     1.004000  
1 1 1 11 12 23  o 34.690  0.6095 2.158000       1.219000  
1 1 1 11 12 24  o 49.550  0.8154 0.2226000      1.631000  
1 1 1 11 12 25  o 39.220  0.6706 -0.8280000     1.341000  
1 1 1 11 12 26  o 44.890  0.7490 -0.5732000     1.498000  
1 1 1 11 12 27  o 38.170  0.6599 -1.902000      1.320000  
1 1 1 11 12 28  f 26.000  0.5266 -0.8592000     1.053000  
1 1 1 11 12 29  o 24.870  0.5897 -2.221000      1.179000  
1 1 1 11 12 30  o 28.310  0.5456 0.3740000E-01  1.091000  
1 1 1 11 12 31  o 12.170  0.7832 0.9309000      1.566000  
1 1 1 11 12 32  f 15.370  0.5442 -1.162000      1.088000  
1 1 1 11 12 33  o 16.970  0.5234 1.361000       1.047000  
1 1 1 11 12 34  f 9.2810  0.8334 0.1188000      1.667000  
1 1 1 11 12 35  o 53.510  0.8921 -2.217000      1.784000  
1 1 1 11 12 36  o 25.160  0.7994 ?              ?         
1 1 1 11 12 37  o 16.280  0.6901 0.5776000      1.380000  
1 1 1 11 12 38  o 10.100  0.9816 2.314000       1.963000  
1 1 1 11 12 39  o 16.290  0.9183 1.944000       1.837000  
1 1 1 11 12 40  o 17.360  0.8833 -3.367000      1.767000  
1 1 1 11 12 41  o 23.030  0.8133 1.695000       1.627000  
1 1 1 11 12 42  o 34.430  0.8385 -3.541000      1.677000  
1 1 1 11 12 43  o 29.090  0.7306 3.178000       1.461000  
1 1 1 11 12 44  o 8.5230  1.3090 5.396000       2.619000  
1 1 1 11 12 45  o 21.800  0.7408 -0.6995000     1.482000  
1 1 1 11 12 46  o 16.110  0.8284 2.443000       1.657000  
1 1 1 11 12 47  o 16.230  0.8833 -1.339000      1.767000  
1 1 1 11 12 48  o 15.790  0.8919 -0.6161000     1.784000  
1 1 1 11 12 49  o 8.1750  1.7970 -0.7072000     3.593000  
1 1 1 11 12 50  o 9.4460  1.7350 -0.3796000     3.469000  
1 1 1 11 12 51  o 9.7570  1.7910 -0.3661000     3.582000  
1 1 1 11 12 52  o 19.850  1.0990 -0.8250000     2.198000  
1 1 1 11 12 53  o 13.570  1.5680 -5.461000      3.136000  
1 1 1 11 12 54  o 10.050  1.7660 -5.802000      3.531000  
1 1 1 11 12 55  f 8.7030  1.9840 -1.949000      3.968000  
1 1 1 11 12 56  o 7.2160  1.8540 -4.291000      3.707000  
1 1 1 11 12 57  o 7.0260  1.9270 -1.772000      3.854000  
1 1 1 11 12 58  o 18.170  1.3300 3.201000       2.660000  
1 1 1 11 12 59  o 10.270  2.0110 -2.667000      4.023000  
1 1 1 11 12 60  o 26.650  1.1410 1.078000       2.282000  
1 1 1 11 12 61  o 7.0790  1.9920 2.502000       3.985000  
1 1 1 11 12 62  o 14.030  1.8340 -3.067000      3.668000  
1 1 1 11 12 63  o 6.7090  2.0110 -0.3276000     4.021000  
1 1 1 11 12 64  o 10.500  2.1430 0.4310000      4.285000  
1 1 1 11 12 65  o 7.4300  2.0510 2.124000       4.103000  
1 1 1 11 12 66  o 10.390  2.1520 2.130000       4.303000  
1 1 1 11 12 67  o 13.110  2.0410 -2.701000      4.081000  
1 1 1 11 12 68  o 15.310  1.9260 5.667000       3.851000  
1 1 1 11 12 69  o 8.5380  2.2620 -1.289000      4.525000  
1 1 1 11 12 70  o 5.8010  1.9020 -1.502000      3.804000  
1 1 1 11 12 71  o 5.3630  1.7840 1.063000       3.568000  
1 1 1 11 12 72  o 6.0460  1.9340 -1.242000      3.868000  
1 1 1 11 12 73  o 5.3960  1.7990 0.3135000E-01  3.598000  
1 1 1 11 12 74  o 6.6850  1.9850 -2.434000      3.970000  
1 1 1 11 12 75  o 5.4590  1.8160 -0.1046000     3.632000  
1 1 1 11 12 76  o 5.2640  1.7720 0.5094000      3.545000  
1 1 1 11 12 77  o 5.4300  1.8150 1.366000       3.631000  
1 1 1 11 12 78  o 5.5820  1.8570 0.7730000      3.714000  
1 1 1 11 12 79  o 4.8600  1.6700 -0.4013000     3.341000  
1 1 1 11 12 80  o 5.3040  1.7820 0.4418000      3.563000  
1 1 1 11 12 81  o 5.1340  1.7280 -0.3058000     3.457000  
1 1 1 11 12 82  o 3.9100  1.3910 0.2006000      2.782000  
1 1 1 11 12 83  o 3.9050  1.3710 0.4959000      2.742000  
1 1 1 11 12 84  o 4.1260  1.4540 -1.087000      2.908000  
1 1 1 11 12 85  o 5.6030  2.5610 ?              ?         
1 1 1 11 13 0   o 56.870  1.1240 0.000000       0.000000  
1 1 1 11 13 1   o 31.300  0.5392 2.582000       1.078000  
1 1 1 11 13 2   o 41.750  0.5953 1.354000       1.191000  
1 1 1 11 13 3   o 49.020  0.6877 0.6894000E-01  1.375000  
1 1 1 11 13 4   o 27.060  0.5946 1.126000       1.189000  
1 1 1 11 13 5   o 15.360  0.4653 -6.061000      0.9305000 
1 1 1 11 13 6   o 68.200  1.0290 -2.811000      2.059000  
1 1 1 11 13 7   o 26.440  0.5563 -1.600000      1.113000  
1 1 1 11 13 8   o 37.800  0.5446 -0.2202000     1.089000  
1 1 1 11 13 9   o 18.760  0.5907 ?              ?         
1 1 1 11 13 10  o 55.780  0.8455 -1.480000      1.691000  
1 1 1 11 13 11  o 35.040  0.5999 2.044000       1.200000  
1 1 1 11 13 12  o 42.820  0.6102 0.2032000      1.220000  
1 1 1 11 13 13  o 29.180  0.4900 1.071000       0.9800000 
1 1 1 11 13 14  o 36.690  0.5360 -0.6459000     1.072000  
1 1 1 11 13 15  o 63.300  0.8836 0.7956000      1.767000  
1 1 1 11 13 16  o 15.370  0.8227 ?              ?         
1 1 1 11 13 17  o 42.030  0.7414 -0.3424000     1.483000  
1 1 1 11 13 18  o 42.910  0.6690 -0.6767000     1.338000  
1 1 1 11 13 19  o 36.650  0.5875 -3.714000      1.175000  
1 1 1 11 13 20  o 24.830  0.4536 -0.3483000     0.9072000 
1 1 1 11 13 21  o 40.630  0.6855 2.425000       1.371000  
1 1 1 11 13 22  o 27.700  0.6323 -5.043000      1.265000  
1 1 1 11 13 23  o 16.780  0.4270 -1.320000      0.8540000 
1 1 1 11 13 24  o 12.200  0.4886 -0.3035000     0.9771000 
1 1 1 11 13 25  o 39.460  0.6762 -1.620000      1.352000  
1 1 1 11 13 26  f 38.060  0.6549 -1.157000      1.310000  
1 1 1 11 13 27  o 8.7460  0.9864 0.5567000      1.973000  
1 1 1 11 13 28  f 22.340  0.5106 -1.235000      1.021000  
1 1 1 11 13 29  o 37.740  0.6599 -0.8846000E-01 1.320000  
1 1 1 11 13 30  f 25.750  0.5432 1.670000       1.086000  
1 1 1 11 13 31  o 57.800  0.9558 -1.102000      1.912000  
1 1 1 11 13 32  o 40.500  0.8742 -0.8350000     1.748000  
1 1 1 11 13 33  o 28.080  0.6625 -4.757000      1.325000  
1 1 1 11 13 34  o 39.510  0.7001 -1.291000      1.400000  
1 1 1 11 13 35  o 14.920  0.7730 3.047000       1.546000  
1 1 1 11 13 36  f 41.860  0.7358 -0.5253000     1.472000  
1 1 1 11 13 37  o 18.760  0.7440 -1.712000      1.488000  
1 1 1 11 13 38  o 13.990  0.6581 -0.7881000     1.316000  
1 1 1 11 13 39  o 5.0410  1.2510 1.754000       2.502000  
1 1 1 11 13 40  o 24.320  0.6918 -1.060000      1.384000  
1 1 1 11 13 41  o 15.040  0.8361 -1.517000      1.672000  
1 1 1 11 13 42  o 14.580  0.8209 1.411000       1.642000  
1 1 1 11 13 43  o 22.890  0.7154 0.2210000      1.431000  
1 1 1 11 13 44  o 11.370  1.0540 3.662000       2.107000  
1 1 1 11 13 45  o 27.900  0.7532 -1.516000      1.506000  
1 1 1 11 13 46  o 35.370  0.8193 -2.003000      1.639000  
1 1 1 11 13 47  o 17.940  0.8535 3.935000       1.707000  
1 1 1 11 13 48  o 12.170  1.2340 -4.574000      2.468000  
1 1 1 11 13 49  o 10.370  1.3080 -1.995000      2.617000  
1 1 1 11 13 50  o 20.840  0.8054 -1.498000      1.611000  
1 1 1 11 13 51  o 10.530  1.2660 2.574000       2.533000  
1 1 1 11 13 52  o 10.960  1.2700 1.153000       2.540000  
1 1 1 11 13 53  o 23.520  0.9850 -0.6061000     1.970000  
1 1 1 11 13 54  o 16.140  1.3010 0.7188000      2.602000  
1 1 1 11 13 55  o 19.900  1.1170 -2.998000      2.234000  
1 1 1 11 13 56  o 24.200  1.0250 0.9682000      2.049000  
1 1 1 11 13 57  f 6.7980  1.9280 -1.054000      3.856000  
1 1 1 11 13 58  o 15.350  1.4990 2.215000       2.999000  
1 1 1 11 13 59  o 11.240  1.8600 3.429000       3.721000  
1 1 1 11 13 60  o 16.410  1.5850 4.726000       3.169000  
1 1 1 11 13 61  o 15.450  1.5580 -1.573000      3.117000  
1 1 1 11 13 62  o 6.1630  1.8740 1.156000       3.748000  
1 1 1 11 13 63  f 13.590  1.7730 -2.471000      3.546000  
1 1 1 11 13 64  o 10.050  2.1500 -2.455000      4.300000  
1 1 1 11 13 65  o 6.2590  1.9400 -0.5579000     3.880000  
1 1 1 11 13 66  o 10.530  2.1250 2.184000       4.251000  
1 1 1 11 13 67  o 5.5090  1.7740 1.321000       3.548000  
1 1 1 11 13 68  o 7.5380  2.0280 2.818000       4.055000  
1 1 1 11 13 69  f 6.2920  1.9630 0.3003000E-01  3.926000  
1 1 1 11 13 70  o 5.9300  1.9080 -1.495000      3.815000  
1 1 1 11 13 71  o 8.5360  2.1290 3.386000       4.257000  
1 1 1 11 13 72  o 5.5020  1.8130 -0.2816000     3.626000  
1 1 1 11 13 73  o 5.4830  1.8170 0.4805000      3.635000  
1 1 1 11 13 74  o 5.4650  1.8100 -0.9963000E-01 3.620000  
1 1 1 11 13 75  o 6.1630  1.9680 0.8047000      3.936000  
1 1 1 11 13 76  o 5.0860  1.7380 0.5674000      3.476000  
1 1 1 11 13 77  o 5.0590  1.7320 -0.1456000     3.465000  
1 1 1 11 13 78  f 5.6700  1.8630 2.599000       3.726000  
1 1 1 11 13 79  o 4.4560  1.5420 -1.001000      3.083000  
1 1 1 11 13 80  o 5.9470  1.9140 -0.4144000     3.829000  
1 1 1 11 13 81  o 3.9660  1.4030 0.1392000      2.805000  
1 1 1 11 13 82  o 3.8150  1.3140 -0.3186000     2.628000  
1 1 1 11 13 83  o 4.0860  1.4440 0.7023000E-01  2.888000  
1 1 1 11 13 84  o 3.8110  1.9150 ?              ?         
1 1 1 11 14 0   o 26.140  0.8388 0.000000       0.000000  
1 1 1 11 14 1   o 44.600  0.6307 0.2710000      1.261000  
1 1 1 11 14 2   f 22.340  0.4113 2.294000       0.8226000 
1 1 1 11 14 3   o 20.420  0.3986 0.5955000      0.7971000 
1 1 1 11 14 4   o 24.850  0.4004 0.2088000      0.8008000 
1 1 1 11 14 5   o 25.290  0.4063 0.6567000      0.8126000 
1 1 1 11 14 6   o 22.730  0.3860 -0.3902000     0.7720000 
1 1 1 11 14 7   o 25.430  0.4103 0.1152000      0.8206000 
1 1 1 11 14 8   o 20.950  0.3773 0.5678000      0.7547000 
1 1 1 11 14 9   o 17.480  0.4309 -1.100000      0.8618000 
1 1 1 11 14 10  o 70.600  1.0720 3.519000       2.143000  
1 1 1 11 14 11  o 47.140  0.7256 -2.203000      1.451000  
1 1 1 11 14 12  o 20.170  0.4913 1.424000       0.9826000 
1 1 1 11 14 13  f 34.640  0.5125 -0.3265000     1.025000  
1 1 1 11 14 14  o 39.760  0.6196 1.083000       1.239000  
1 1 1 11 14 15  o 42.600  0.6153 0.4510000      1.231000  
1 1 1 11 14 16  o 46.410  0.6634 1.678000       1.327000  
1 1 1 11 14 17  o 37.260  0.5523 0.4635000E-02  1.105000  
1 1 1 11 14 18  o 20.240  0.5261 -0.7169000     1.052000  
1 1 1 11 14 19  o 14.520  0.5113 1.737000       1.023000  
1 1 1 11 14 20  o 48.580  0.7507 0.5590000      1.501000  
1 1 1 11 14 21  o 23.370  0.5537 -0.3588000     1.107000  
1 1 1 11 14 22  o 13.430  0.5897 -1.218000      1.179000  
1 1 1 11 14 23  o 39.060  0.6247 0.3485000      1.249000  
1 1 1 11 14 24  o 10.440  0.7068 -3.485000      1.414000  
1 1 1 11 14 25  f 21.740  0.4607 0.4457000E-01  0.9214000 
1 1 1 11 14 26  o 36.580  0.6012 0.2686000      1.202000  
1 1 1 11 14 27  o 55.830  0.9214 -1.148000      1.843000  
1 1 1 11 14 28  f 33.790  0.7687 0.5471000      1.537000  
1 1 1 11 14 29  o 49.000  0.8240 0.4681000      1.648000  
1 1 1 11 14 30  o 23.050  0.6851 0.4099000      1.370000  
1 1 1 11 14 31  o 23.530  0.5363 -0.5881000     1.073000  
1 1 1 11 14 32  o 11.490  0.6928 0.7597000      1.386000  
1 1 1 11 14 33  o 20.800  0.5546 0.8952000      1.109000  
1 1 1 11 14 34  o 22.950  0.5561 -0.2367000E-01 1.112000  
1 1 1 11 14 35  o 25.190  0.5688 -1.156000      1.138000  
1 1 1 11 14 36  o 11.740  0.9558 0.9123000E-01  1.912000  
1 1 1 11 14 37  o 6.2090  1.2500 1.319000       2.500000  
1 1 1 11 14 38  f 24.990  0.5929 0.5357000      1.186000  
1 1 1 11 14 39  o 10.960  0.8478 0.9563000      1.696000  
1 1 1 11 14 40  o 10.030  0.9365 1.395000       1.873000  
1 1 1 11 14 41  o 21.620  0.6117 0.4198000      1.223000  
1 1 1 11 14 42  o 23.400  0.6694 -0.9010000     1.339000  
1 1 1 11 14 43  o 14.430  0.8939 3.531000       1.788000  
1 1 1 11 14 44  o 12.370  0.9994 -1.510000      1.999000  
1 1 1 11 14 45  o 23.160  0.7718 -1.076000      1.544000  
1 1 1 11 14 46  o 5.4270  1.4650 2.931000       2.929000  
1 1 1 11 14 47  o 15.880  0.8638 -0.4087000     1.728000  
1 1 1 11 14 48  o 11.970  1.1020 1.412000       2.205000  
1 1 1 11 14 49  o 16.130  0.9242 -0.9770000     1.848000  
1 1 1 11 14 50  o 23.820  0.8039 -1.024000      1.608000  
1 1 1 11 14 51  o 12.580  1.0910 1.934000       2.182000  
1 1 1 11 14 52  o 12.560  1.1450 1.434000       2.289000  
1 1 1 11 14 53  o 5.8500  1.5960 0.8662000      3.193000  
1 1 1 11 14 54  o 12.860  1.1370 0.3652000      2.273000  
1 1 1 11 14 55  o 5.7550  1.5940 2.860000       3.188000  
1 1 1 11 14 56  o 9.3490  1.5030 3.960000       3.007000  
1 1 1 11 14 57  f 8.2180  1.9700 1.045000       3.940000  
1 1 1 11 14 58  o 8.0430  1.8300 4.074000       3.660000  
1 1 1 11 14 59  o 6.3830  1.7730 3.009000       3.547000  
1 1 1 11 14 60  o 7.2990  1.9400 0.1376000      3.880000  
1 1 1 11 14 61  o 6.6820  1.9190 0.2548000      3.838000  
1 1 1 11 14 62  o 13.320  1.7630 -1.601000      3.525000  
1 1 1 11 14 63  o 8.7690  2.0470 2.292000       4.093000  
1 1 1 11 14 64  o 12.700  1.8170 -1.859000      3.633000  
1 1 1 11 14 65  o 12.450  1.9880 2.612000       3.977000  
1 1 1 11 14 66  o 6.5430  1.9910 -1.449000      3.982000  
1 1 1 11 14 67  o 10.550  2.1970 -2.708000      4.393000  
1 1 1 11 14 68  o 6.8360  2.0730 -1.658000      4.147000  
1 1 1 11 14 69  o 7.6630  2.0160 3.971000       4.032000  
1 1 1 11 14 70  f 5.9460  1.8990 -0.9506000     3.798000  
1 1 1 11 14 71  o 5.7690  1.8590 0.8780000E-01  3.719000  
1 1 1 11 14 72  o 5.8540  1.8830 -0.4654000     3.766000  
1 1 1 11 14 73  o 5.7260  1.8660 -1.055000      3.732000  
1 1 1 11 14 74  o 5.2480  1.7680 0.5483000      3.537000  
1 1 1 11 14 75  o 4.4880  1.5680 -0.1059000     3.136000  
1 1 1 11 14 76  o 7.0430  2.0330 -2.227000      4.066000  
1 1 1 11 14 77  o 5.2910  1.7470 0.7571000E-01  3.493000  
1 1 1 11 14 78  o 5.8270  1.8720 1.194000       3.744000  
1 1 1 11 14 79  o 5.2310  1.7160 -0.5789000     3.433000  
1 1 1 11 14 80  o 3.4450  1.2210 0.6400000E-01  2.442000  
1 1 1 11 14 81  o 3.8640  1.3470 0.9576000      2.693000  
1 1 1 11 14 82  o 4.9260  2.3550 ?              ?         
1 1 1 11 15 0   o 19.360  0.5320 -0.000000      0.000000  
1 1 1 11 15 1   o 10.360  0.5426 -1.929000      1.085000  
1 1 1 11 15 2   o 25.230  0.4112 -0.3661000     0.8224000 
1 1 1 11 15 3   o 16.780  0.5450 -8.638000      1.090000  
1 1 1 11 15 4   o 51.850  0.7931 -3.300000      1.586000  
1 1 1 11 15 5   o 33.700  0.6518 -2.102000      1.304000  
1 1 1 11 15 6   o 41.410  0.5940 1.628000       1.188000  
1 1 1 11 15 7   o 29.710  0.5335 1.349000       1.067000  
1 1 1 11 15 8   o 25.120  0.5392 0.4663000      1.078000  
1 1 1 11 15 9   o 42.580  0.6097 0.1564000      1.219000  
1 1 1 11 15 10  o 11.990  0.5841 -0.8505000     1.168000  
1 1 1 11 15 11  o 11.190  0.4603 -1.258000      0.9207000 
1 1 1 11 15 12  o 9.8380  0.5544 0.6229000      1.109000  
1 1 1 11 15 13  o 29.580  0.4993 -1.228000      0.9986000 
1 1 1 11 15 14  o 10.660  0.6612 -2.736000      1.322000  
1 1 1 11 15 15  o 16.560  0.4351 -0.9095000     0.8703000 
1 1 1 11 15 16  o 44.600  0.6895 -0.9716000     1.379000  
1 1 1 11 15 17  f 33.530  0.5960 -5.131000      1.192000  
1 1 1 11 15 18  f 35.440  0.5302 1.111000       1.060000  
1 1 1 11 15 19  o 34.540  0.5661 0.2109000      1.132000  
1 1 1 11 15 20  o 26.530  0.4888 -1.476000      0.9776000 
1 1 1 11 15 21  o 25.780  0.4748 0.1918000      0.9497000 
1 1 1 11 15 22  o 26.670  0.4854 -0.2566000     0.9707000 
1 1 1 11 15 23  o 33.680  0.5600 -0.2506000     1.120000  
1 1 1 11 15 24  o 43.820  0.6910 0.3300000      1.382000  
1 1 1 11 15 25  o 30.290  0.6489 -4.120000      1.298000  
1 1 1 11 15 26  o 33.250  0.5645 1.492000       1.129000  
1 1 1 11 15 27  o 11.100  0.8329 -6.624000      1.666000  
1 1 1 11 15 28  o 40.050  0.8762 0.1556000E-01  1.752000  
1 1 1 11 15 29  o 15.370  0.7721 -2.551000      1.544000  
1 1 1 11 15 30  o 20.180  0.5483 -0.4799000     1.097000  
1 1 1 11 15 31  o 5.4090  1.2290 0.7869000      2.458000  
1 1 1 11 15 32  o 23.350  0.5571 -0.7578000     1.114000  
1 1 1 11 15 33  o 9.9480  0.8681 -0.3126000E-01 1.736000  
1 1 1 11 15 34  o 24.880  0.5692 -1.438000      1.138000  
1 1 1 11 15 35  o 11.600  0.7690 -0.2286000     1.538000  
1 1 1 11 15 36  o 14.130  0.8841 -4.468000      1.768000  
1 1 1 11 15 37  o 17.920  0.6217 0.1552000      1.243000  
1 1 1 11 15 38  o 36.420  0.6850 -0.9922000     1.370000  
1 1 1 11 15 39  o 29.130  0.7314 1.835000       1.463000  
1 1 1 11 15 40  o 25.910  0.6052 -0.8015000     1.210000  
1 1 1 11 15 41  o 24.380  0.6078 -0.7147000     1.216000  
1 1 1 11 15 42  o 11.340  0.8531 0.3147000      1.706000  
1 1 1 11 15 43  f 19.730  0.6364 -0.9705000E-01 1.273000  
1 1 1 11 15 44  o 14.050  0.7447 0.4300000      1.489000  
1 1 1 11 15 45  o 17.060  0.6769 -0.2696000     1.354000  
1 1 1 11 15 46  o 9.5670  1.0700 -0.4632000     2.141000  
1 1 1 11 15 47  o 22.890  0.6303 0.7289000      1.261000  
1 1 1 11 15 48  f 12.210  1.1540 -0.5494000     2.308000  
1 1 1 11 15 49  o 8.0800  1.4910 0.5429000      2.982000  
1 1 1 11 15 50  f 12.150  1.1620 -0.3667000     2.323000  
1 1 1 11 15 51  o 7.3290  1.5910 -0.1727000     3.182000  
1 1 1 11 15 52  o 7.9790  1.5640 -1.948000      3.128000  
1 1 1 11 15 53  o 6.6280  1.6000 -0.3910000     3.200000  
1 1 1 11 15 54  o 5.7470  1.4160 -2.614000      2.831000  
1 1 1 11 15 55  o 12.970  1.1460 -0.2986000     2.292000  
1 1 1 11 15 56  o 5.3040  1.5520 1.400000       3.104000  
1 1 1 11 15 57  o 4.5410  1.4330 0.1512000      2.867000  
1 1 1 11 15 58  o 5.5100  1.4630 -2.136000      2.925000  
1 1 1 11 15 59  o 10.570  1.4160 0.6689000      2.832000  
1 1 1 11 15 60  o 5.2040  1.5550 2.374000       3.110000  
1 1 1 11 15 61  o 5.6910  1.7800 -1.367000      3.560000  
1 1 1 11 15 62  o 9.0550  2.0270 1.269000       4.054000  
1 1 1 11 15 63  o 7.1880  2.0040 -1.321000      4.008000  
1 1 1 11 15 64  o 6.0840  1.8480 -0.2165000     3.696000  
1 1 1 11 15 65  o 7.0380  1.9740 -2.789000      3.948000  
1 1 1 11 15 66  o 5.8620  1.8650 -0.7348000     3.730000  
1 1 1 11 15 67  o 5.3950  1.7510 0.7153000      3.503000  
1 1 1 11 15 68  o 6.0690  1.8620 2.093000       3.725000  
1 1 1 11 15 69  o 6.0560  1.8810 1.681000       3.763000  
1 1 1 11 15 70  o 4.8810  1.6560 0.9566000      3.311000  
1 1 1 11 15 71  o 5.4700  1.8090 0.1341000      3.618000  
1 1 1 11 15 72  o 5.7600  1.8720 1.177000       3.744000  
1 1 1 11 15 73  o 5.2380  1.7660 -0.1736000     3.532000  
1 1 1 11 15 74  o 5.5340  1.8160 -0.6672000     3.633000  
1 1 1 11 15 75  o 5.7070  1.8420 2.129000       3.683000  
1 1 1 11 15 76  o 3.7250  1.3270 0.3087000E-01  2.654000  
1 1 1 11 15 77  o 4.2810  1.4880 0.1165000      2.977000  
1 1 1 11 15 78  o 4.6780  1.5560 -0.6061000E-02 3.112000  
1 1 1 11 15 79  o 3.8910  1.3390 0.9192000E-01  2.679000  
1 1 1 11 15 80  o 4.1170  2.0410 ?              ?         
1 1 1 11 15 81  o 3.1310  1.6040 ?              ?         
1 1 1 11 16 0   o 25.480  0.8316 0.000000       0.000000  
1 1 1 11 16 1   o 34.660  0.5133 0.8745000      1.027000  
1 1 1 11 16 2   o 23.630  0.4717 -0.8380000     0.9433000 
1 1 1 11 16 3   f 18.560  0.4520 2.229000       0.9040000 
1 1 1 11 16 4   o 9.9720  0.5094 0.5184000      1.019000  
1 1 1 11 16 5   o 11.250  0.6730 -2.273000      1.346000  
1 1 1 11 16 6   o 41.530  0.6508 -1.917000      1.302000  
1 1 1 11 16 7   o 23.750  0.5267 1.932000       1.053000  
1 1 1 11 16 8   o 50.870  0.7218 1.308000       1.444000  
1 1 1 11 16 9   o 32.030  0.5713 -2.820000      1.143000  
1 1 1 11 16 10  o 18.350  0.4949 2.415000       0.9897000 
1 1 1 11 16 11  o 23.600  0.4418 0.3374000      0.8836000 
1 1 1 11 16 12  o 36.770  0.5858 0.3938000      1.172000  
1 1 1 11 16 13  o 19.260  0.4842 -0.7158000     0.9684000 
1 1 1 11 16 14  o 12.620  0.5161 2.651000       1.032000  
1 1 1 11 16 15  f 25.600  0.4759 1.292000       0.9518000 
1 1 1 11 16 16  o 25.400  0.4637 3.176000       0.9274000 
1 1 1 11 16 17  o 33.500  0.5542 -0.7149000     1.108000  
1 1 1 11 16 18  o 28.530  0.5061 1.368000       1.012000  
1 1 1 11 16 19  o 8.1980  0.8058 0.6012000      1.612000  
1 1 1 11 16 20  o 26.010  0.4524 -0.4314000     0.9048000 
1 1 1 11 16 21  o 9.8180  0.7678 -3.057000      1.536000  
1 1 1 11 16 22  o 17.770  0.4775 -2.237000      0.9551000 
1 1 1 11 16 23  f 8.4820  0.8166 -3.829000      1.633000  
1 1 1 11 16 24  o 31.520  0.5455 -0.1139000     1.091000  
1 1 1 11 16 25  o 15.210  0.6410 -0.3315000     1.282000  
1 1 1 11 16 26  o 14.780  0.5307 0.8351000      1.061000  
1 1 1 11 16 27  f 23.770  0.4938 -0.7292000     0.9877000 
1 1 1 11 16 28  o 17.200  0.5213 0.7446000      1.043000  
1 1 1 11 16 29  o 27.110  0.5234 1.082000       1.047000  
1 1 1 11 16 30  o 12.200  1.0000 -3.645000      2.001000  
1 1 1 11 16 31  o 49.750  0.9521 -2.304000      1.904000  
1 1 1 11 16 32  o 13.680  0.9066 -0.8128000     1.813000  
1 1 1 11 16 33  o 27.090  0.5828 -0.5821000E-02 1.166000  
1 1 1 11 16 34  o 41.390  0.7341 -1.029000      1.468000  
1 1 1 11 16 35  o 18.670  0.7975 5.713000       1.595000  
1 1 1 11 16 36  o 20.930  0.5994 0.7072000      1.199000  
1 1 1 11 16 37  o 12.260  0.7966 0.3326000      1.593000  
1 1 1 11 16 38  o 22.510  0.6090 0.1426000      1.218000  
1 1 1 11 16 39  o 6.2740  1.2510 -1.795000      2.502000  
1 1 1 11 16 40  o 10.660  0.9099 -0.3427000     1.820000  
1 1 1 11 16 41  o 14.090  0.7452 1.524000       1.490000  
1 1 1 11 16 42  o 8.2100  1.2030 -0.8942000     2.405000  
1 1 1 11 16 43  o 38.390  0.7283 -0.4459000     1.457000  
1 1 1 11 16 44  o 10.880  1.2020 0.7914000      2.405000  
1 1 1 11 16 45  o 13.250  0.8088 -0.6667000     1.618000  
1 1 1 11 16 46  o 9.7550  1.0790 2.584000       2.158000  
1 1 1 11 16 47  o 12.690  0.8596 1.818000       1.719000  
1 1 1 11 16 48  o 6.3390  1.3080 2.039000       2.617000  
1 1 1 11 16 49  o 19.270  0.6665 0.3187000      1.333000  
1 1 1 11 16 50  o 21.690  0.6766 0.3570000E-01  1.353000  
1 1 1 11 16 51  o 13.250  0.9164 4.805000       1.833000  
1 1 1 11 16 52  o 6.2060  1.5760 1.643000       3.152000  
1 1 1 11 16 53  o 14.400  0.9993 1.967000       1.999000  
1 1 1 11 16 54  o 10.710  1.3930 0.7723000      2.786000  
1 1 1 11 16 55  o 12.450  1.2160 2.663000       2.432000  
1 1 1 11 16 56  f 6.6320  1.5330 -2.453000      3.066000  
1 1 1 11 16 57  o 7.9160  1.6000 -0.1752000     3.200000  
1 1 1 11 16 58  o 9.3070  1.4890 0.5349000      2.978000  
1 1 1 11 16 59  o 10.850  1.4440 -4.547000      2.889000  
1 1 1 11 16 60  o 13.760  1.1860 -0.3981000     2.371000  
1 1 1 11 16 61  o 6.0550  1.6760 1.664000       3.352000  
1 1 1 11 16 62  o 4.6080  1.4540 -0.7748000E-01 2.908000  
1 1 1 11 16 63  o 8.4260  1.6880 0.1738000      3.375000  
1 1 1 11 16 64  f 9.5910  1.5610 -3.730000      3.123000  
1 1 1 11 16 65  o 4.0760  1.3750 1.652000       2.751000  
1 1 1 11 16 66  o 4.7890  1.5930 0.4006000      3.186000  
1 1 1 11 16 67  f 4.7130  1.5820 -0.1221000     3.163000  
1 1 1 11 16 68  o 6.5030  1.9070 -2.120000      3.814000  
1 1 1 11 16 69  o 5.8390  1.7840 1.768000       3.567000  
1 1 1 11 16 70  o 6.6280  1.8850 3.809000       3.770000  
1 1 1 11 16 71  o 4.6080  1.5810 0.1589000      3.162000  
1 1 1 11 16 72  o 5.0780  1.7010 0.5039000E-01  3.401000  
1 1 1 11 16 73  o 4.5690  1.5640 -0.4825000     3.127000  
1 1 1 11 16 74  o 4.8140  1.6330 1.099000       3.266000  
1 1 1 11 16 75  o 4.2680  1.4890 0.1657000E-01  2.979000  
1 1 1 11 16 76  o 4.6450  1.5760 1.445000       3.152000  
1 1 1 11 16 77  o 4.0760  1.3980 -0.1609000     2.795000  
1 1 1 11 16 78  o 4.4340  2.1680 ?              ?         
1 1 1 11 17 0   f 37.660  1.1080 0.000000       0.000000  
1 1 1 11 17 1   o 55.770  0.8590 -3.231000      1.718000  
1 1 1 11 17 2   o 31.150  0.5673 10.95000       1.135000  
1 1 1 11 17 3   o 35.210  0.5262 -1.453000      1.052000  
1 1 1 11 17 4   o 18.860  0.5186 3.842000       1.037000  
1 1 1 11 17 5   o 18.700  0.6019 -3.477000      1.204000  
1 1 1 11 17 6   o 52.620  0.7472 -0.9721000     1.494000  
1 1 1 11 17 7   o 31.850  0.5640 2.046000       1.128000  
1 1 1 11 17 8   o 16.930  0.4109 -0.9752000     0.8218000 
1 1 1 11 17 9   o 14.300  0.4352 -1.494000      0.8705000 
1 1 1 11 17 10  o 14.670  0.4676 -0.2270000     0.9352000 
1 1 1 11 17 11  o 29.660  0.5114 -0.5875000     1.023000  
1 1 1 11 17 12  o 31.080  0.4871 -0.7649000     0.9742000 
1 1 1 11 17 13  o 25.030  0.4817 1.669000       0.9633000 
1 1 1 11 17 14  o 41.940  0.6101 1.093000       1.220000  
1 1 1 11 17 15  o 28.280  0.5419 -0.9408000     1.084000  
1 1 1 11 17 16  o 16.740  0.4728 1.238000       0.9455000 
1 1 1 11 17 17  o 28.310  0.4662 -0.6000000E-01 0.9324000 
1 1 1 11 17 18  o 7.3640  0.9112 -1.202000      1.822000  
1 1 1 11 17 19  o 24.360  0.4391 -0.5130000     0.8782000 
1 1 1 11 17 20  o 7.9720  0.9896 -5.945000      1.979000  
1 1 1 11 17 21  o 20.600  0.4408 0.8819000      0.8816000 
1 1 1 11 17 22  o 20.490  0.5244 -5.018000      1.049000  
1 1 1 11 17 23  o 13.100  0.6347 1.306000       1.269000  
1 1 1 11 17 24  o 47.820  0.9028 1.631000       1.806000  
1 1 1 11 17 25  f 12.200  0.9014 -8.683000      1.803000  
1 1 1 11 17 26  o 34.090  0.5856 -1.388000      1.171000  
1 1 1 11 17 27  o 39.510  0.6518 -1.205000      1.304000  
1 1 1 11 17 28  o 18.810  0.6173 2.873000       1.235000  
1 1 1 11 17 29  o 18.830  0.5245 0.9054000      1.049000  
1 1 1 11 17 30  o 20.750  0.5183 -1.093000      1.037000  
1 1 1 11 17 31  o 11.660  0.8009 2.553000       1.602000  
1 1 1 11 17 32  o 9.2130  0.9805 0.2569000      1.961000  
1 1 1 11 17 33  o 4.0680  1.2090 0.4538000      2.419000  
1 1 1 11 17 34  o 9.7340  0.9401 0.4866000E-01  1.880000  
1 1 1 11 17 35  o 18.600  0.5970 -0.2678000     1.194000  
1 1 1 11 17 36  o 21.430  0.6077 -0.5072000     1.215000  
1 1 1 11 17 37  o 10.300  0.9392 -1.688000      1.878000  
1 1 1 11 17 38  o 14.910  0.7097 0.4745000      1.419000  
1 1 1 11 17 39  o 27.550  0.6241 -0.6282000     1.248000  
1 1 1 11 17 40  o 16.760  0.6707 0.5374000E-01  1.341000  
1 1 1 11 17 41  o 20.420  0.6371 0.9063000      1.274000  
1 1 1 11 17 42  o 15.540  0.7499 -0.7567000E-01 1.500000  
1 1 1 11 17 43  o 16.650  0.6890 0.6584000      1.378000  
1 1 1 11 17 44  o 10.540  1.2200 -2.629000      2.441000  
1 1 1 11 17 45  f 10.240  1.0030 0.3915000E-01  2.006000  
1 1 1 11 17 46  o 13.290  0.8186 0.3137000      1.637000  
1 1 1 11 17 47  o 21.500  0.6598 0.3613000      1.320000  
1 1 1 11 17 48  o 17.870  0.7051 -1.198000      1.410000  
1 1 1 11 17 49  o 14.470  0.8155 0.3012000      1.631000  
1 1 1 11 17 50  o 5.9400  1.4380 -1.630000      2.877000  
1 1 1 11 17 51  o 11.450  0.9591 -0.6373000     1.918000  
1 1 1 11 17 52  o 17.150  0.7486 0.1738000      1.497000  
1 1 1 11 17 53  o 5.2220  1.3130 3.473000       2.626000  
1 1 1 11 17 54  o 12.870  0.8915 -0.2346000     1.783000  
1 1 1 11 17 55  o 4.8260  1.3580 -0.4393000     2.716000  
1 1 1 11 17 56  o 12.160  1.2070 0.4479000      2.415000  
1 1 1 11 17 57  o 4.5540  1.4460 1.963000       2.892000  
1 1 1 11 17 58  o 4.2410  1.3710 0.3962000      2.742000  
1 1 1 11 17 59  o 6.0340  1.6460 1.389000       3.292000  
1 1 1 11 17 60  o 5.0440  1.5230 0.1184000      3.047000  
1 1 1 11 17 61  o 6.4280  1.5310 -2.496000      3.062000  
1 1 1 11 17 62  o 3.9880  1.2900 -0.9494000     2.579000  
1 1 1 11 17 63  o 6.0220  1.6270 2.002000       3.253000  
1 1 1 11 17 64  o 3.8600  1.2990 0.3897000      2.597000  
1 1 1 11 17 65  o 6.0040  1.6160 2.730000       3.233000  
1 1 1 11 17 66  o 6.4200  1.5430 -2.236000      3.085000  
1 1 1 11 17 67  o 6.4240  1.6290 -0.7841000     3.258000  
1 1 1 11 17 68  o 5.2320  1.5190 -0.9037000     3.038000  
1 1 1 11 17 69  f 6.8060  1.7360 1.134000       3.471000  
1 1 1 11 17 70  o 3.9840  1.3380 0.3975000      2.675000  
1 1 1 11 17 71  o 5.2100  1.6870 0.1696000      3.374000  
1 1 1 11 17 72  o 4.5660  1.5460 -0.8325000     3.093000  
1 1 1 11 17 73  o 4.7710  1.5660 0.5645000      3.132000  
1 1 1 11 17 74  o 4.2450  1.4090 0.9798000      2.817000  
1 1 1 11 17 75  o 3.9740  1.3670 -0.2754000     2.735000  
1 1 1 11 17 76  o 4.1880  2.0690 ?              ?         
1 1 1 11 18 0   o 39.040  0.8124 0.000000       0.000000  
1 1 1 11 18 1   o 28.690  0.4624 -0.4810000     0.9249000 
1 1 1 11 18 2   o 12.750  0.5597 0.7607000      1.119000  
1 1 1 11 18 3   o 14.500  0.4401 1.589000       0.8801000 
1 1 1 11 18 4   o 18.540  0.4090 0.8054000      0.8179000 
1 1 1 11 18 5   o 15.220  0.7076 -8.928000      1.415000  
1 1 1 11 18 6   o 29.050  0.4676 0.4649000      0.9352000 
1 1 1 11 18 7   o 33.380  0.5078 -1.587000      1.016000  
1 1 1 11 18 8   o 25.060  0.4984 2.685000       0.9968000 
1 1 1 11 18 9   o 27.760  0.4528 -0.3790000     0.9056000 
1 1 1 11 18 10  o 9.6700  0.9822 -2.753000      1.964000  
1 1 1 11 18 11  o 40.840  0.6498 -2.187000      1.300000  
1 1 1 11 18 12  o 16.620  0.5496 2.211000       1.099000  
1 1 1 11 18 13  o 35.810  0.5907 -1.725000      1.181000  
1 1 1 11 18 14  o 37.370  0.5608 -1.235000      1.122000  
1 1 1 11 18 15  f 17.160  0.5565 2.734000       1.113000  
1 1 1 11 18 16  o 7.6220  0.8783 2.023000       1.757000  
1 1 1 11 18 17  o 17.740  0.4377 0.5380000      0.8755000 
1 1 1 11 18 18  o 15.690  0.5478 3.754000       1.096000  
1 1 1 11 18 19  o 41.140  0.6638 -2.762000      1.328000  
1 1 1 11 18 20  o 16.980  0.5617 -2.926000      1.123000  
1 1 1 11 18 21  o 32.250  0.5132 -0.2280000     1.026000  
1 1 1 11 18 22  o 24.450  0.5054 -1.580000      1.011000  
1 1 1 11 18 23  o 6.8430  1.1210 -2.890000      2.241000  
1 1 1 11 18 24  o 12.670  0.6009 -0.7212000     1.202000  
1 1 1 11 18 25  o 18.720  0.5126 -1.144000      1.025000  
1 1 1 11 18 26  f 17.500  0.5380 0.6958000E-01  1.076000  
1 1 1 11 18 27  o 12.220  0.6926 2.097000       1.385000  
1 1 1 11 18 28  o 27.140  0.5307 0.3635000      1.061000  
1 1 1 11 18 29  f 5.5690  1.3610 -1.334000      2.722000  
1 1 1 11 18 30  o 14.310  0.6088 -2.261000      1.218000  
1 1 1 11 18 31  o 33.950  0.6009 1.929000       1.202000  
1 1 1 11 18 32  o 26.830  0.7746 -1.585000      1.549000  
1 1 1 11 18 33  o 17.440  0.8229 6.520000       1.646000  
1 1 1 11 18 34  o 22.790  0.5988 -1.034000      1.198000  
1 1 1 11 18 35  o 9.2080  1.0180 -1.887000      2.036000  
1 1 1 11 18 36  o 9.0960  1.0360 -0.5074000     2.071000  
1 1 1 11 18 37  f 20.400  0.6099 -0.2474000     1.220000  
1 1 1 11 18 38  o 24.280  0.5994 0.2135000      1.199000  
1 1 1 11 18 39  o 6.0540  1.4070 0.9991000      2.814000  
1 1 1 11 18 40  o 6.4510  1.3370 0.4624000E-01  2.675000  
1 1 1 11 18 41  o 5.1380  1.3190 -0.1382000     2.637000  
1 1 1 11 18 42  o 3.3190  1.1010 -0.2953000     2.202000  
1 1 1 11 18 43  o 14.030  0.7736 -1.836000      1.547000  
1 1 1 11 18 44  o 6.2390  1.3410 2.163000       2.682000  
1 1 1 11 18 45  o 11.380  0.9347 -0.8945000     1.869000  
1 1 1 11 18 46  o 16.400  0.7364 2.262000       1.473000  
1 1 1 11 18 47  o 10.130  1.0700 1.345000       2.141000  
1 1 1 11 18 48  o 13.600  0.8126 1.593000       1.625000  
1 1 1 11 18 49  o 4.3840  1.2920 -1.105000      2.585000  
1 1 1 11 18 50  f 9.7620  1.1580 1.464000       2.316000  
1 1 1 11 18 51  o 12.640  0.9190 -1.283000      1.838000  
1 1 1 11 18 52  o 13.220  0.8758 0.6613000      1.752000  
1 1 1 11 18 53  o 4.1500  1.2910 0.4461000      2.583000  
1 1 1 11 18 54  o 8.9610  1.2240 3.909000       2.448000  
1 1 1 11 18 55  o 11.100  0.9847 0.8613000      1.969000  
1 1 1 11 18 56  o 4.2800  1.3060 -0.1871000     2.611000  
1 1 1 11 18 57  o 4.6910  1.3690 -0.9921000E-01 2.739000  
1 1 1 11 18 58  o 4.3330  1.3160 0.6562000      2.632000  
1 1 1 11 18 59  o 5.5510  1.4410 0.7041000E-01  2.882000  
1 1 1 11 18 60  f 8.4030  1.3120 3.062000       2.623000  
1 1 1 11 18 61  o 8.4080  1.6390 0.8005000      3.279000  
1 1 1 11 18 62  o 5.8320  1.6150 1.074000       3.230000  
1 1 1 11 18 63  o 4.0940  1.3550 1.130000       2.711000  
1 1 1 11 18 64  o 3.9600  1.3000 -0.6353000     2.599000  
1 1 1 11 18 65  o 7.6080  1.6810 1.457000       3.363000  
1 1 1 11 18 66  o 5.8010  1.6350 2.840000       3.270000  
1 1 1 11 18 67  o 4.3360  1.4030 0.3411000      2.806000  
1 1 1 11 18 68  o 4.2320  1.3950 0.8387000      2.789000  
1 1 1 11 18 69  o 4.9070  1.4910 -0.4763000     2.983000  
1 1 1 11 18 70  o 4.1560  1.3890 1.803000       2.778000  
1 1 1 11 18 71  o 4.6330  1.4620 0.7183000      2.923000  
1 1 1 11 18 72  o 4.2890  1.3460 -0.5894000     2.692000  
1 1 1 11 18 73  o 4.3120  1.4100 0.3123000      2.820000  
1 1 1 11 18 74  o 4.5750  2.2080 ?              ?         
1 1 1 11 19 0   o 35.550  0.7565 -0.000000      0.000000  
1 1 1 11 19 1   o 13.440  0.5629 2.981000       1.126000  
1 1 1 11 19 2   o 13.640  0.4667 -0.7560000     0.9333000 
1 1 1 11 19 3   o 10.170  0.5725 0.2839000      1.145000  
1 1 1 11 19 4   o 13.430  0.4650 -0.4357000     0.9299000 
1 1 1 11 19 5   o 19.840  0.4974 -0.1352000     0.9947000 
1 1 1 11 19 6   o 27.940  0.4603 0.9733000      0.9206000 
1 1 1 11 19 7   o 12.350  0.6197 0.5771000      1.239000  
1 1 1 11 19 8   o 13.060  0.4844 -0.3620000     0.9688000 
1 1 1 11 19 9   o 22.820  0.4638 -1.210000      0.9276000 
1 1 1 11 19 10  o 31.270  0.4943 0.1329000      0.9885000 
1 1 1 11 19 11  o 14.860  0.5611 -1.549000      1.122000  
1 1 1 11 19 12  o 14.160  0.6473 0.1655000      1.295000  
1 1 1 11 19 13  o 34.970  0.6235 -0.6470000     1.247000  
1 1 1 11 19 14  o 57.060  0.8829 -1.354000      1.766000  
1 1 1 11 19 15  o 49.870  0.7233 -0.7758000     1.447000  
1 1 1 11 19 16  o 40.210  0.7028 -0.8027000E-01 1.406000  
1 1 1 11 19 17  o 32.850  0.5699 -2.246000      1.140000  
1 1 1 11 19 18  o 27.390  0.4791 0.9085000      0.9583000 
1 1 1 11 19 19  o 16.310  0.5294 0.2269000      1.059000  
1 1 1 11 19 20  o 18.170  0.5166 -1.673000      1.033000  
1 1 1 11 19 21  o 27.900  0.5314 -2.966000      1.063000  
1 1 1 11 19 22  f 30.290  0.5099 0.3933000      1.020000  
1 1 1 11 19 23  o 9.6120  0.8180 2.030000       1.636000  
1 1 1 11 19 24  o 15.940  0.5095 -1.374000      1.019000  
1 1 1 11 19 25  o 11.760  0.6850 0.3427000      1.370000  
1 1 1 11 19 26  o 11.770  0.6959 1.881000       1.392000  
1 1 1 11 19 27  o 19.640  0.5257 1.222000       1.051000  
1 1 1 11 19 28  o 13.900  0.7367 1.960000       1.473000  
1 1 1 11 19 29  o 7.0730  1.1090 -1.246000      2.218000  
1 1 1 11 19 30  o 12.750  0.6566 0.6053000      1.313000  
1 1 1 11 19 31  o 11.700  0.7075 -1.702000      1.415000  
1 1 1 11 19 32  o 12.620  0.6937 -0.5663000     1.387000  
1 1 1 11 19 33  o 6.4380  1.2390 3.056000       2.479000  
1 1 1 11 19 34  o 14.010  0.7553 2.718000       1.511000  
1 1 1 11 19 35  o 15.490  0.6794 0.9874000      1.359000  
1 1 1 11 19 36  o 7.5240  1.2290 -0.4087000     2.458000  
1 1 1 11 19 37  o 15.800  0.6697 0.1546000      1.339000  
1 1 1 11 19 38  o 6.3110  1.3110 -0.8407000     2.623000  
1 1 1 11 19 39  o 8.5240  1.1280 1.618000       2.256000  
1 1 1 11 19 40  f 5.5070  1.3240 -1.704000      2.648000  
1 1 1 11 19 41  o 10.670  0.9639 0.3514000      1.928000  
1 1 1 11 19 42  o 8.9920  1.1060 1.951000       2.213000  
1 1 1 11 19 43  o 11.370  0.8957 0.5561000E-01  1.791000  
1 1 1 11 19 44  o 8.7640  1.1650 0.5674000      2.331000  
1 1 1 11 19 45  o 15.280  0.7383 -0.9878000     1.477000  
1 1 1 11 19 46  f 12.050  0.8747 0.1866000E-01  1.749000  
1 1 1 11 19 47  o 8.4550  1.2180 1.490000       2.437000  
1 1 1 11 19 48  o 10.730  0.9714 -0.6703000     1.943000  
1 1 1 11 19 49  o 9.8160  1.0570 -0.2520000     2.115000  
1 1 1 11 19 50  o 6.9730  1.3130 2.647000       2.626000  
1 1 1 11 19 51  o 6.3550  1.3350 -2.355000      2.670000  
1 1 1 11 19 52  o 4.9020  1.3250 2.093000       2.649000  
1 1 1 11 19 53  o 5.6020  1.3610 1.728000       2.722000  
1 1 1 11 19 54  o 6.3510  1.3860 -1.938000      2.772000  
1 1 1 11 19 55  o 4.3150  1.3030 -1.040000      2.607000  
1 1 1 11 19 56  o 4.4990  1.3340 0.7149000      2.668000  
1 1 1 11 19 57  o 4.2450  1.3050 0.1683000      2.611000  
1 1 1 11 19 58  o 4.9860  1.3290 2.117000       2.659000  
1 1 1 11 19 59  o 4.0640  1.2710 0.2672000      2.541000  
1 1 1 11 19 60  o 5.1870  1.3890 1.772000       2.778000  
1 1 1 11 19 61  o 3.9430  1.2440 -0.2336000     2.488000  
1 1 1 11 19 62  o 6.1620  1.4700 -0.3265000     2.939000  
1 1 1 11 19 63  o 5.2960  1.4570 -0.2241000     2.915000  
1 1 1 11 19 64  o 7.2950  1.4220 2.210000       2.844000  
1 1 1 11 19 65  o 4.6030  1.3720 -0.3606000     2.744000  
1 1 1 11 19 66  o 5.6200  1.5510 -0.6659000     3.101000  
1 1 1 11 19 67  o 5.4290  1.5780 1.404000       3.155000  
1 1 1 11 19 68  o 4.4040  1.4030 -0.1038000     2.806000  
1 1 1 11 19 69  o 4.9590  1.4630 1.285000       2.926000  
1 1 1 11 19 70  o 4.0520  1.2990 -0.3283000     2.597000  
1 1 1 11 19 71  o 4.2720  1.3880 0.1847000      2.776000  
1 1 1 11 19 72  o 3.5480  1.8060 ?              ?         
1 1 1 11 20 0   o 6.4480  1.6700 0.000000       0.000000  
1 1 1 11 20 1   o 15.460  0.4670 -0.1263000     0.9340000 
1 1 1 11 20 2   o 22.640  0.4326 0.2382000      0.8653000 
1 1 1 11 20 3   o 24.420  0.4480 -1.509000      0.8959000 
1 1 1 11 20 4   o 19.550  0.4733 -1.876000      0.9466000 
1 1 1 11 20 5   o 16.840  0.5638 0.2040000      1.128000  
1 1 1 11 20 6   o 27.820  0.4678 0.4202000E-01  0.9355000 
1 1 1 11 20 7   o 19.790  0.4795 0.3150000      0.9590000 
1 1 1 11 20 8   o 17.620  0.5032 -0.7755000E-01 1.006000  
1 1 1 11 20 9   o 25.270  0.4978 1.047000       0.9956000 
1 1 1 11 20 10  o 31.910  0.5528 -2.232000      1.106000  
1 1 1 11 20 11  o 20.460  0.4472 -0.6590000     0.8944000 
1 1 1 11 20 12  o 10.880  0.7802 -3.328000      1.560000  
1 1 1 11 20 13  o 11.170  0.8396 -5.983000      1.679000  
1 1 1 11 20 14  o 44.110  0.7062 -2.541000      1.412000  
1 1 1 11 20 15  f 29.880  0.5871 -1.100000      1.174000  
1 1 1 11 20 16  o 15.330  0.7379 -1.814000      1.476000  
1 1 1 11 20 17  o 12.580  0.5478 0.4019000      1.096000  
1 1 1 11 20 18  o 8.4670  0.9208 2.961000       1.842000  
1 1 1 11 20 19  o 20.130  0.4559 -1.699000      0.9117000 
1 1 1 11 20 20  f 25.510  0.5119 3.056000       1.024000  
1 1 1 11 20 21  o 13.980  0.7786 4.688000       1.557000  
1 1 1 11 20 22  o 19.510  0.4700 0.2173000      0.9400000 
1 1 1 11 20 23  o 17.050  0.4974 0.1473000E-01  0.9948000 
1 1 1 11 20 24  o 15.810  0.5080 -0.5918000     1.016000  
1 1 1 11 20 25  o 5.7810  1.0790 2.085000       2.159000  
1 1 1 11 20 26  o 21.410  0.5264 0.1551000      1.053000  
1 1 1 11 20 27  f 14.350  0.7217 2.145000       1.443000  
1 1 1 11 20 28  f 19.580  0.5366 0.7552000      1.073000  
1 1 1 11 20 29  f 5.5980  1.3770 -1.342000      2.755000  
1 1 1 11 20 30  f 6.5520  1.1700 -0.9791000     2.340000  
1 1 1 11 20 31  o 10.940  0.7678 0.7276000      1.536000  
1 1 1 11 20 32  o 13.820  0.6493 -1.404000      1.299000  
1 1 1 11 20 33  o 10.960  0.7974 0.6197000      1.595000  
1 1 1 11 20 34  o 11.270  0.7862 -1.230000      1.572000  
1 1 1 11 20 35  o 12.590  0.7850 0.6519000      1.570000  
1 1 1 11 20 36  o 5.6710  1.2890 -2.631000      2.577000  
1 1 1 11 20 37  o 13.910  0.7305 0.1583000      1.461000  
1 1 1 11 20 38  o 5.4250  1.2300 -3.588000      2.460000  
1 1 1 11 20 39  o 8.1580  1.1770 0.7379000      2.353000  
1 1 1 11 20 40  o 21.560  0.6200 -0.3812000     1.240000  
1 1 1 11 20 41  o 15.940  0.7120 -2.135000      1.424000  
1 1 1 11 20 42  o 13.750  0.7872 -2.547000      1.574000  
1 1 1 11 20 43  o 13.910  0.7623 -0.1114000     1.525000  
1 1 1 11 20 44  o 4.0560  1.2210 1.214000       2.442000  
1 1 1 11 20 45  f 4.2590  1.2540 -1.142000      2.508000  
1 1 1 11 20 46  o 8.4020  1.1840 -0.8365000     2.369000  
1 1 1 11 20 47  o 4.6020  1.3140 0.8152000      2.627000  
1 1 1 11 20 48  o 4.8660  1.3560 0.6050000E-01  2.713000  
1 1 1 11 20 49  o 4.7390  1.3350 -0.4749000     2.670000  
1 1 1 11 20 50  o 5.7580  1.3290 -2.671000      2.658000  
1 1 1 11 20 51  o 4.3910  1.3150 0.7537000E-01  2.630000  
1 1 1 11 20 52  o 6.1890  1.4090 -0.1459000     2.817000  
1 1 1 11 20 53  o 7.6430  1.3750 -0.6020000     2.750000  
1 1 1 11 20 54  o 8.2270  1.3550 -1.521000      2.710000  
1 1 1 11 20 55  o 4.7180  1.3680 -1.006000      2.736000  
1 1 1 11 20 56  o 6.3690  1.3390 -3.400000      2.678000  
1 1 1 11 20 57  o 6.4940  1.4200 -0.6432000     2.841000  
1 1 1 11 20 58  o 5.9200  1.4540 1.168000       2.909000  
1 1 1 11 20 59  o 4.1070  1.2830 -0.3500000     2.565000  
1 1 1 11 20 60  o 4.7140  1.3790 -0.5025000     2.758000  
1 1 1 11 20 61  o 4.4700  1.3220 1.405000       2.643000  
1 1 1 11 20 62  o 6.9040  1.4610 -0.5055000     2.922000  
1 1 1 11 20 63  o 3.5480  1.1710 -0.7775000     2.341000  
1 1 1 11 20 64  o 5.1140  1.3890 -1.553000      2.778000  
1 1 1 11 20 65  o 3.3870  1.1400 -0.1903000     2.279000  
1 1 1 11 20 66  o 3.5950  1.1710 -0.6691000     2.342000  
1 1 1 11 20 67  o 4.2980  1.2880 1.235000       2.577000  
1 1 1 11 20 68  f 3.7450  1.2320 0.7673000      2.463000  
1 1 1 11 20 69  o 4.2390  1.4730 0.4442000      2.947000  
1 1 1 11 21 0   o 22.930  0.6437 -0.000000      0.000000  
1 1 1 11 21 1   o 22.620  0.4481 0.5812000      0.8962000 
1 1 1 11 21 2   o 16.710  0.4722 0.5021000      0.9445000 
1 1 1 11 21 3   o 16.310  0.5455 -4.777000      1.091000  
1 1 1 11 21 4   o 32.580  0.5162 -0.1867000     1.032000  
1 1 1 11 21 5   o 14.560  0.7145 0.1051000      1.429000  
1 1 1 11 21 6   o 17.520  0.4568 -1.082000      0.9136000 
1 1 1 11 21 7   o 10.870  0.6753 0.8936000      1.351000  
1 1 1 11 21 8   o 17.180  0.4630 -1.654000      0.9261000 
1 1 1 11 21 9   o 20.330  0.4492 0.5675000      0.8984000 
1 1 1 11 21 10  o 16.990  0.5613 -3.806000      1.123000  
1 1 1 11 21 11  o 33.490  0.5707 -2.056000      1.141000  
1 1 1 11 21 12  o 18.860  0.6251 -4.938000      1.250000  
1 1 1 11 21 13  f 10.150  0.8061 1.549000       1.612000  
1 1 1 11 21 14  o 17.090  0.5226 -2.037000      1.045000  
1 1 1 11 21 15  o 22.000  0.4620 0.1439000      0.9239000 
1 1 1 11 21 16  o 18.030  0.5540 1.544000       1.108000  
1 1 1 11 21 17  o 22.280  0.4623 -0.1563000     0.9245000 
1 1 1 11 21 18  o 11.190  0.7082 2.018000       1.416000  
1 1 1 11 21 19  o 23.810  0.5162 -1.432000      1.032000  
1 1 1 11 21 20  o 6.3360  1.2030 0.7002000      2.406000  
1 1 1 11 21 21  o 13.150  0.5770 -1.152000      1.154000  
1 1 1 11 21 22  o 27.230  0.4958 0.6803000      0.9917000 
1 1 1 11 21 23  o 10.640  0.7630 2.275000       1.526000  
1 1 1 11 21 24  o 11.380  0.6447 -1.238000      1.289000  
1 1 1 11 21 25  o 10.150  0.7162 -0.6423000     1.432000  
1 1 1 11 21 26  o 19.090  0.4892 0.4360000E-01  0.9784000 
1 1 1 11 21 27  o 10.650  0.7851 0.6445000      1.570000  
1 1 1 11 21 28  o 5.3010  1.1260 -3.777000      2.252000  
1 1 1 11 21 29  o 14.790  0.6066 0.8195000      1.213000  
1 1 1 11 21 30  o 8.0640  1.0400 -2.527000      2.079000  
1 1 1 11 21 31  o 7.5070  1.1070 -1.300000      2.213000  
1 1 1 11 21 32  o 5.2870  1.2430 -1.371000      2.485000  
1 1 1 11 21 33  o 20.710  0.5526 0.5965000      1.105000  
1 1 1 11 21 34  o 7.0510  1.2610 -2.107000      2.522000  
1 1 1 11 21 35  o 10.560  0.8107 -0.8535000     1.621000  
1 1 1 11 21 36  o 19.170  0.6227 0.6936000E-01  1.245000  
1 1 1 11 21 37  o 14.210  0.7367 0.2952000      1.473000  
1 1 1 11 21 38  o 8.4070  1.1400 -0.5672000     2.280000  
1 1 1 11 21 39  o 10.850  0.8886 1.127000       1.777000  
1 1 1 11 21 40  f 3.9200  1.1990 0.7527000      2.399000  
1 1 1 11 21 41  o 9.3370  1.0460 0.6008000E-01  2.093000  
1 1 1 11 21 42  o 9.0310  1.1240 2.302000       2.247000  
1 1 1 11 21 43  o 8.5500  1.1560 -1.912000      2.312000  
1 1 1 11 21 44  o 4.9730  1.3290 0.7574000      2.658000  
1 1 1 11 21 45  f 3.6850  1.1760 -0.4580000     2.351000  
1 1 1 11 21 46  o 4.1930  1.2620 0.6931000E-01  2.524000  
1 1 1 11 21 47  o 5.6020  1.3860 1.141000       2.772000  
1 1 1 11 21 48  o 4.4160  1.3150 -0.2421000     2.631000  
1 1 1 11 21 49  f 4.5790  1.3510 0.1338000      2.703000  
1 1 1 11 21 50  o 5.2580  1.3900 1.048000       2.779000  
1 1 1 11 21 51  o 7.2410  1.3800 0.1391000      2.761000  
1 1 1 11 21 52  o 6.5110  1.3440 2.610000       2.688000  
1 1 1 11 21 53  o 4.4080  1.3150 0.7825000      2.630000  
1 1 1 11 21 54  o 10.780  1.0670 0.4044000      2.134000  
1 1 1 11 21 55  o 5.0230  1.3980 0.1517000      2.797000  
1 1 1 11 21 56  o 5.5810  1.4280 -1.116000      2.856000  
1 1 1 11 21 57  o 4.9220  1.3950 0.6546000      2.791000  
1 1 1 11 21 58  o 6.1560  1.4600 2.367000       2.920000  
1 1 1 11 21 59  o 7.2980  1.4470 -1.222000      2.893000  
1 1 1 11 21 60  o 5.7450  1.4400 -1.233000      2.879000  
1 1 1 11 21 61  o 4.1630  1.2910 0.2290000      2.582000  
1 1 1 11 21 62  o 7.0760  1.4270 -1.676000      2.855000  
1 1 1 11 21 63  o 3.3490  1.1160 -0.3990000     2.232000  
1 1 1 11 21 64  o 7.6370  1.3180 -1.935000      2.636000  
1 1 1 11 21 65  o 4.6520  1.3350 0.1552000      2.670000  
1 1 1 11 21 66  o 3.5970  1.2810 -0.2147000     2.561000  
1 1 1 11 22 0   f 9.2810  1.0420 -0.000000      0.000000  
1 1 1 11 22 1   o 11.780  0.5608 1.211000       1.122000  
1 1 1 11 22 2   o 11.340  0.7204 0.7741000      1.441000  
1 1 1 11 22 3   o 22.720  0.4552 -0.1029000     0.9104000 
1 1 1 11 22 4   o 26.330  0.4757 -1.363000      0.9514000 
1 1 1 11 22 5   o 17.880  0.5652 -1.658000      1.130000  
1 1 1 11 22 6   o 14.370  0.5654 -0.9647000     1.131000  
1 1 1 11 22 7   o 19.780  0.4679 -0.2161000     0.9357000 
1 1 1 11 22 8   o 21.420  0.4550 0.3107000      0.9101000 
1 1 1 11 22 9   o 14.080  0.6195 -3.530000      1.239000  
1 1 1 11 22 10  o 11.340  0.6994 -3.197000      1.399000  
1 1 1 11 22 11  o 24.580  0.5379 -3.413000      1.076000  
1 1 1 11 22 12  o 9.6020  1.0750 -5.171000      2.150000  
1 1 1 11 22 13  o 5.9520  1.0410 -0.1806000     2.083000  
1 1 1 11 22 14  o 11.080  0.7137 -1.813000      1.427000  
1 1 1 11 22 15  f 22.430  0.4647 0.8170000      0.9294000 
1 1 1 11 22 16  o 15.330  0.5715 3.611000       1.143000  
1 1 1 11 22 17  o 10.740  0.6523 -0.4188000     1.305000  
1 1 1 11 22 18  o 12.410  0.5785 -2.617000      1.157000  
1 1 1 11 22 19  o 22.630  0.5115 -2.099000      1.023000  
1 1 1 11 22 20  o 12.360  0.7275 -0.4233000     1.455000  
1 1 1 11 22 21  o 13.010  0.5596 -1.939000      1.119000  
1 1 1 11 22 22  f 8.6000  0.8087 -0.7392000     1.617000  
1 1 1 11 22 23  o 9.0490  0.7781 0.5008000      1.556000  
1 1 1 11 22 24  o 17.050  0.4900 -0.5457000     0.9801000 
1 1 1 11 22 25  o 7.0980  0.9757 -0.1984000     1.951000  
1 1 1 11 22 26  o 3.8780  1.0940 0.7184000      2.188000  
1 1 1 11 22 27  o 5.8080  1.1030 -0.5129000     2.206000  
1 1 1 11 22 28  o 5.4080  1.2300 -0.2861000     2.460000  
1 1 1 11 22 29  o 10.650  0.7718 0.6729000      1.544000  
1 1 1 11 22 30  o 7.4530  1.0680 -1.657000      2.136000  
1 1 1 11 22 31  o 8.8590  0.9510 1.937000       1.902000  
1 1 1 11 22 32  o 13.380  0.6468 0.2180000      1.294000  
1 1 1 11 22 33  o 7.1520  1.1150 1.079000       2.229000  
1 1 1 11 22 34  o 8.9480  0.9277 -0.1948000     1.855000  
1 1 1 11 22 35  o 14.620  0.6344 -0.7231000     1.269000  
1 1 1 11 22 36  o 8.7610  0.9782 -1.232000      1.956000  
1 1 1 11 22 37  o 4.8740  1.3350 0.4784000E-01  2.670000  
1 1 1 11 22 38  o 14.490  0.7397 1.845000       1.479000  
1 1 1 11 22 39  o 10.280  0.9993 0.3764000      1.999000  
1 1 1 11 22 40  o 7.4060  1.2790 0.9937000E-01  2.557000  
1 1 1 11 22 41  o 6.2080  1.3710 0.8021000      2.742000  
1 1 1 11 22 42  o 12.670  0.8419 0.5960000      1.684000  
1 1 1 11 22 43  o 3.9510  1.2300 0.2519000E-01  2.460000  
1 1 1 11 22 44  o 8.8730  1.1910 -1.771000      2.381000  
1 1 1 11 22 45  o 12.570  0.8734 0.4377000      1.747000  
1 1 1 11 22 46  o 5.5500  1.3700 -2.316000      2.740000  
1 1 1 11 22 47  o 4.8390  1.3720 0.7196000E-01  2.745000  
1 1 1 11 22 48  o 5.7050  1.4170 -0.2384000     2.835000  
1 1 1 11 22 49  o 6.2230  1.4320 -0.3697000     2.863000  
1 1 1 11 22 50  o 9.8450  1.1110 -0.6840000     2.222000  
1 1 1 11 22 51  o 5.3790  1.3990 1.156000       2.798000  
1 1 1 11 22 52  o 3.8880  1.2260 -0.4011000     2.452000  
1 1 1 11 22 53  o 4.9050  1.3800 -0.3015000     2.759000  
1 1 1 11 22 54  o 4.4570  1.3350 0.1253000      2.670000  
1 1 1 11 22 55  o 3.3180  1.1110 1.092000       2.223000  
1 1 1 11 22 56  o 4.6120  1.3450 -0.1399000     2.689000  
1 1 1 11 22 57  f 3.9040  1.2290 0.6684000      2.457000  
1 1 1 11 22 58  o 4.1330  1.2750 -0.9808000     2.551000  
1 1 1 11 22 59  o 5.7420  1.4100 1.878000       2.820000  
1 1 1 11 22 60  o 4.3180  1.2680 1.376000       2.536000  
1 1 1 11 22 61  o 4.3000  1.2760 1.255000       2.552000  
1 1 1 11 22 62  o 5.7070  1.4090 -0.3981000E-01 2.818000  
1 1 1 11 22 63  o 3.9940  1.9970 ?              ?         
1 1 1 11 23 0   o 17.160  0.6895 -0.000000      0.000000  
1 1 1 11 23 1   o 15.680  0.4813 -0.3676000     0.9627000 
1 1 1 11 23 2   o 18.560  0.4588 0.6759000      0.9177000 
1 1 1 11 23 3   o 21.530  0.4567 -1.881000      0.9134000 
1 1 1 11 23 4   o 17.760  0.4713 -0.2503000     0.9426000 
1 1 1 11 23 5   o 12.490  0.5602 -0.6497000     1.120000  
1 1 1 11 23 6   o 4.7090  1.0950 -0.1712000     2.191000  
1 1 1 11 23 7   o 7.6870  0.8219 -0.8760000     1.644000  
1 1 1 11 23 8   o 12.880  0.5412 -0.6366000     1.082000  
1 1 1 11 23 9   o 15.180  0.4877 0.6698000      0.9755000 
1 1 1 11 23 10  o 13.660  0.5239 1.710000       1.048000  
1 1 1 11 23 11  o 7.8140  0.8447 -1.286000      1.689000  
1 1 1 11 23 12  f 4.8790  1.0730 1.532000       2.145000  
1 1 1 11 23 13  o 3.8320  1.0750 0.5649000E-01  2.149000  
1 1 1 11 23 14  o 11.990  0.5829 -0.1853000     1.166000  
1 1 1 11 23 15  o 16.910  0.4753 -0.6273000     0.9505000 
1 1 1 11 23 16  o 7.9850  0.9578 7.040000       1.916000  
1 1 1 11 23 17  o 17.020  0.4826 -0.3338000     0.9652000 
1 1 1 11 23 18  o 8.8400  0.7414 -0.5939000     1.483000  
1 1 1 11 23 19  o 7.8190  0.8815 -1.858000      1.763000  
1 1 1 11 23 20  o 8.5390  0.8039 -1.441000      1.608000  
1 1 1 11 23 21  o 7.7500  0.8808 0.9218000      1.762000  
1 1 1 11 23 22  o 4.7960  1.1500 -0.3941000     2.300000  
1 1 1 11 23 23  f 11.610  0.6331 -0.8899000     1.266000  
1 1 1 11 23 24  o 5.9630  1.1120 -0.4813000     2.225000  
1 1 1 11 23 25  o 10.580  0.6873 0.1903000      1.375000  
1 1 1 11 23 26  o 14.760  0.5457 -0.4211000     1.091000  
1 1 1 11 23 27  o 7.2130  1.0090 0.9569000      2.018000  
1 1 1 11 23 28  o 8.3430  0.8719 0.9118000      1.744000  
1 1 1 11 23 29  o 10.830  0.7635 -1.261000      1.527000  
1 1 1 11 23 30  o 11.890  0.7168 0.4241000E-01  1.434000  
1 1 1 11 23 31  o 8.8530  0.9910 1.517000       1.982000  
1 1 1 11 23 32  o 4.9740  1.2530 -0.4841000     2.507000  
1 1 1 11 23 33  o 4.9150  1.2540 -1.524000      2.507000  
1 1 1 11 23 34  o 6.6150  1.2230 -0.8409000     2.447000  
1 1 1 11 23 35  o 4.1100  1.1580 1.234000       2.316000  
1 1 1 11 23 36  o 11.350  0.7999 -0.8511000     1.600000  
1 1 1 11 23 37  o 7.8650  1.0900 -0.3628000     2.180000  
1 1 1 11 23 38  o 9.0950  1.1410 -0.5580000     2.282000  
1 1 1 11 23 39  o 5.4560  1.3410 -2.176000      2.682000  
1 1 1 11 23 40  o 7.6370  1.2680 2.920000       2.536000  
1 1 1 11 23 41  o 10.770  1.0030 -1.060000      2.007000  
1 1 1 11 23 42  o 4.7010  1.3340 -0.2168000     2.669000  
1 1 1 11 23 43  o 5.0710  1.3280 -1.882000      2.656000  
1 1 1 11 23 44  o 11.920  0.9048 -0.1996000     1.810000  
1 1 1 11 23 45  o 3.8650  1.2210 0.3825000      2.441000  
1 1 1 11 23 46  o 5.0650  1.3590 0.7031000      2.718000  
1 1 1 11 23 47  o 3.6910  1.1830 -1.102000      2.367000  
1 1 1 11 23 48  f 14.020  0.8128 -0.1466000     1.626000  
1 1 1 11 23 49  o 6.2850  1.4080 -2.248000      2.815000  
1 1 1 11 23 50  o 3.2980  1.1130 0.1799000      2.225000  
1 1 1 11 23 51  o 3.6570  1.1890 -0.7129000     2.378000  
1 1 1 11 23 52  o 6.4830  1.4420 0.8415000      2.883000  
1 1 1 11 23 53  o 6.1440  1.4090 -1.538000      2.817000  
1 1 1 11 23 54  o 4.6140  1.3460 -0.2262000     2.693000  
1 1 1 11 23 55  f 3.7570  1.2090 -0.4194000     2.417000  
1 1 1 11 23 56  o 3.5830  1.1690 0.6568000      2.338000  
1 1 1 11 23 57  o 4.0030  1.2420 0.4182000      2.484000  
1 1 1 11 23 58  o 5.9210  1.4150 -0.8634000     2.831000  
1 1 1 11 23 59  o 3.4340  1.6920 ?              ?         
1 1 1 11 24 0   o 5.9990  1.7580 -0.000000      0.000000  
1 1 1 11 24 1   o 7.3960  0.8798 -0.4602000     1.760000  
1 1 1 11 24 2   o 10.720  0.6284 -0.8659000     1.257000  
1 1 1 11 24 3   o 12.530  0.6820 -3.803000      1.364000  
1 1 1 11 24 4   o 15.150  0.5021 -0.9024000     1.004000  
1 1 1 11 24 5   o 6.5460  0.9999 2.007000       2.000000  
1 1 1 11 24 6   o 5.4890  1.0710 2.428000       2.141000  
1 1 1 11 24 7   o 6.8480  0.9601 2.786000       1.920000  
1 1 1 11 24 8   o 11.010  0.6212 2.313000       1.242000  
1 1 1 11 24 9   o 15.150  0.5078 -0.6311000     1.016000  
1 1 1 11 24 10  f 8.3490  0.8099 0.5417000      1.620000  
1 1 1 11 24 11  o 7.7170  0.9641 -5.600000      1.928000  
1 1 1 11 24 12  o 21.910  0.5068 -1.724000      1.014000  
1 1 1 11 24 13  o 12.740  0.6288 -2.431000      1.258000  
1 1 1 11 24 14  o 8.5530  0.7519 -1.254000      1.504000  
1 1 1 11 24 15  o 5.8580  1.0720 1.324000       2.143000  
1 1 1 11 24 16  o 9.9740  0.7026 0.3774000      1.405000  
1 1 1 11 24 17  o 16.240  0.4887 0.1454000      0.9773000 
1 1 1 11 24 18  o 7.3180  0.9026 1.646000       1.805000  
1 1 1 11 24 19  o 9.7920  0.7131 -0.8347000E-01 1.426000  
1 1 1 11 24 20  o 8.1340  0.8650 0.1440000      1.730000  
1 1 1 11 24 21  o 9.2450  0.7536 0.1183000      1.507000  
1 1 1 11 24 22  o 12.790  0.5792 -0.7637000     1.158000  
1 1 1 11 24 23  o 7.1920  1.0000 -1.927000      2.000000  
1 1 1 11 24 24  o 5.0280  1.1430 1.665000       2.287000  
1 1 1 11 24 25  f 13.300  0.5820 0.1401000      1.164000  
1 1 1 11 24 26  o 5.7410  1.1360 0.3600000      2.272000  
1 1 1 11 24 27  o 4.5050  1.1800 -0.1481000     2.359000  
1 1 1 11 24 28  o 9.7040  0.7846 -1.801000      1.569000  
1 1 1 11 24 29  o 4.2630  1.1330 -1.349000      2.267000  
1 1 1 11 24 30  o 3.7390  1.1370 -0.9730000     2.275000  
1 1 1 11 24 31  o 4.2270  1.1680 1.009000       2.336000  
1 1 1 11 24 32  o 8.1980  1.0740 2.337000       2.147000  
1 1 1 11 24 33  o 8.8420  0.9617 -3.712000      1.923000  
1 1 1 11 24 34  f 13.860  0.6583 -0.5487000E-01 1.317000  
1 1 1 11 24 35  o 5.8780  1.2670 -1.023000      2.535000  
1 1 1 11 24 36  o 2.9560  0.9845 0.1262000      1.969000  
1 1 1 11 24 37  o 9.6570  0.8644 -0.3877000     1.729000  
1 1 1 11 24 38  o 3.2230  1.0270 0.6762000      2.054000  
1 1 1 11 24 39  o 4.8450  1.3020 -1.193000      2.605000  
1 1 1 11 24 40  o 4.6630  1.2880 1.317000       2.577000  
1 1 1 11 24 41  o 4.0490  1.2310 -1.232000      2.462000  
1 1 1 11 24 42  o 10.250  1.0240 0.6612000      2.048000  
1 1 1 11 24 43  o 4.2450  1.2760 -0.6305000     2.552000  
1 1 1 11 24 44  o 4.3370  1.2890 0.5525000      2.578000  
1 1 1 11 24 45  o 4.3140  1.3020 -0.5678000     2.604000  
1 1 1 11 24 46  o 6.6910  1.4140 -0.4747000     2.828000  
1 1 1 11 24 47  o 6.1300  1.3370 -2.782000      2.673000  
1 1 1 11 24 48  f 2.9200  1.0090 0.1794000      2.017000  
1 1 1 11 24 49  o 3.4530  1.1350 -1.201000      2.270000  
1 1 1 11 24 50  o 5.6850  1.4340 0.8151000      2.868000  
1 1 1 11 24 51  o 4.5170  1.3190 -1.511000      2.639000  
1 1 1 11 24 52  o 3.8560  1.2340 -0.1190000     2.467000  
1 1 1 11 24 53  o 4.0020  1.2500 -0.3955000     2.500000  
1 1 1 11 24 54  o 7.7480  1.3300 -1.119000      2.659000  
1 1 1 11 24 55  o 3.9880  1.9110 ?              ?         
1 1 1 11 25 0   o 22.260  0.6878 0.000000       0.000000  
1 1 1 11 25 1   o 16.850  0.5483 1.458000       1.097000  
1 1 1 11 25 2   o 9.1090  0.7441 -0.4659000     1.488000  
1 1 1 11 25 3   o 10.440  0.6878 1.070000       1.376000  
1 1 1 11 25 4   o 13.390  0.5756 -0.6011000     1.151000  
1 1 1 11 25 5   f 9.5730  0.7093 -0.9234000     1.419000  
1 1 1 11 25 6   o 13.270  0.5659 -1.297000      1.132000  
1 1 1 11 25 7   o 12.550  0.5941 0.2694000      1.188000  
1 1 1 11 25 8   o 8.0510  0.8499 0.3850000      1.700000  
1 1 1 11 25 9   o 9.5770  0.7029 -1.116000      1.406000  
1 1 1 11 25 10  o 7.7200  0.8879 -0.6904000     1.776000  
1 1 1 11 25 11  o 6.9590  0.9853 -1.682000      1.971000  
1 1 1 11 25 12  f 8.7780  0.8065 -2.933000      1.613000  
1 1 1 11 25 13  o 6.6240  0.9986 -0.8724000     1.997000  
1 1 1 11 25 14  o 12.160  0.5891 -1.414000      1.178000  
1 1 1 11 25 15  o 10.790  0.6652 1.243000       1.330000  
1 1 1 11 25 16  o 12.070  0.5884 -0.2711000     1.177000  
1 1 1 11 25 17  o 9.2090  0.7297 -0.5016000E-01 1.459000  
1 1 1 11 25 18  o 12.700  0.5714 1.317000       1.143000  
1 1 1 11 25 19  o 11.700  0.6434 0.5287000      1.287000  
1 1 1 11 25 20  o 15.160  0.5306 -0.8219000     1.061000  
1 1 1 11 25 21  o 19.610  0.4782 0.1877000      0.9565000 
1 1 1 11 25 22  o 13.500  0.5826 -1.359000      1.165000  
1 1 1 11 25 23  o 6.6730  1.0810 0.3331000      2.162000  
1 1 1 11 25 24  o 6.1250  1.0730 -1.315000      2.145000  
1 1 1 11 25 25  o 5.6510  1.1130 2.184000       2.225000  
1 1 1 11 25 26  o 4.7430  1.1720 -0.9853000     2.345000  
1 1 1 11 25 27  o 11.570  0.6545 -0.7290000     1.309000  
1 1 1 11 25 28  o 6.5300  1.1180 1.600000       2.236000  
1 1 1 11 25 29  o 6.9780  1.0820 -0.7646000     2.165000  
1 1 1 11 25 30  o 13.600  0.5863 -0.3071000     1.173000  
1 1 1 11 25 31  o 6.1090  1.2310 -1.334000      2.461000  
1 1 1 11 25 32  o 3.4520  1.0900 0.3383000E-01  2.181000  
1 1 1 11 25 33  o 5.6430  1.2530 -0.2029000     2.506000  
1 1 1 11 25 34  o 7.6610  1.1180 -1.346000      2.236000  
1 1 1 11 25 35  o 7.0060  1.1780 -0.9440000     2.356000  
1 1 1 11 25 36  o 9.0180  0.9826 -0.1621000     1.965000  
1 1 1 11 25 37  o 6.6300  1.2490 0.5208000      2.497000  
1 1 1 11 25 38  o 8.3940  1.0530 -1.242000      2.105000  
1 1 1 11 25 39  o 8.7020  1.0120 -1.433000      2.024000  
1 1 1 11 25 40  o 4.5170  1.3130 0.8496000      2.626000  
1 1 1 11 25 41  o 4.1980  1.2570 1.785000       2.515000  
1 1 1 11 25 42  o 9.6920  1.1620 -4.818000      2.324000  
1 1 1 11 25 43  o 6.6360  1.4090 0.1594000      2.819000  
1 1 1 11 25 44  o 4.8800  1.3430 1.354000       2.685000  
1 1 1 11 25 45  o 4.5490  1.2980 -1.629000      2.596000  
1 1 1 11 25 46  o 3.1390  1.0600 0.9276000E-01  2.120000  
1 1 1 11 25 47  o 5.1480  1.3620 1.177000       2.723000  
1 1 1 11 25 48  o 3.2880  1.1010 0.3105000      2.201000  
1 1 1 11 25 49  o 3.3720  1.1220 0.9034000E-01  2.244000  
1 1 1 11 25 50  o 3.9330  1.2730 0.9836000      2.546000  
1 1 1 11 25 51  o 3.5830  1.7490 ?              ?         
1 1 1 11 26 0   o 6.6950  1.6460 0.000000       0.000000  
1 1 1 11 26 1   f 7.2520  0.9786 -0.2234000     1.957000  
1 1 1 11 26 2   o 7.9080  0.9489 -1.335000      1.898000  
1 1 1 11 26 3   o 15.360  0.5367 -0.4061000E-01 1.073000  
1 1 1 11 26 4   o 12.950  0.6100 -0.3390000     1.220000  
1 1 1 11 26 5   o 11.430  0.6464 -0.7713000     1.293000  
1 1 1 11 26 6   o 10.640  0.6672 -0.8758000     1.334000  
1 1 1 11 26 7   o 9.1570  0.7614 -1.328000      1.523000  
1 1 1 11 26 8   o 12.150  0.6158 0.3089000      1.232000  
1 1 1 11 26 9   o 11.740  0.6359 -0.1210000     1.272000  
1 1 1 11 26 10  o 12.450  0.5811 -0.4764000     1.162000  
1 1 1 11 26 11  o 8.4790  0.8122 -0.7839000     1.624000  
1 1 1 11 26 12  o 6.4410  1.0310 -1.895000      2.061000  
1 1 1 11 26 13  f 6.4110  1.0860 -0.3135000     2.173000  
1 1 1 11 26 14  o 5.1600  1.0930 2.597000       2.187000  
1 1 1 11 26 15  o 5.3630  0.9997 -3.628000      1.999000  
1 1 1 11 26 16  o 8.0600  0.8620 0.2107000      1.724000  
1 1 1 11 26 17  o 6.0060  1.1100 0.4453000      2.220000  
1 1 1 11 26 18  o 7.4960  0.9732 0.8024000      1.946000  
1 1 1 11 26 19  o 10.790  0.7097 -1.877000      1.419000  
1 1 1 11 26 20  o 11.220  0.6499 0.8062000      1.300000  
1 1 1 11 26 21  o 11.050  0.6676 -1.097000      1.335000  
1 1 1 11 26 22  o 4.8150  1.1780 -0.6103000     2.356000  
1 1 1 11 26 23  o 6.4850  1.0450 -2.872000      2.089000  
1 1 1 11 26 24  o 4.8560  1.1640 -0.4614000     2.327000  
1 1 1 11 26 25  o 8.4590  0.8685 2.361000       1.737000  
1 1 1 11 26 26  o 8.7670  0.8610 1.569000       1.722000  
1 1 1 11 26 27  o 4.8980  1.1870 -0.7132000     2.373000  
1 1 1 11 26 28  f 4.9030  1.1290 1.818000       2.258000  
1 1 1 11 26 29  o 5.5210  1.1510 -1.767000      2.303000  
1 1 1 11 26 30  o 3.5850  1.0770 0.3969000      2.155000  
1 1 1 11 26 31  o 4.0870  1.1400 -0.7200000     2.279000  
1 1 1 11 26 32  o 6.5980  1.2200 -0.2798000     2.440000  
1 1 1 11 26 33  o 6.2960  1.2130 -2.616000      2.425000  
1 1 1 11 26 34  o 4.0100  1.1760 -1.185000      2.353000  
1 1 1 11 26 35  o 7.1590  1.1540 0.7558000      2.309000  
1 1 1 11 26 36  o 4.2220  1.2250 -0.3346000     2.450000  
1 1 1 11 26 37  o 5.3300  1.2530 -2.336000      2.505000  
1 1 1 11 26 38  o 4.5650  1.1060 3.181000       2.211000  
1 1 1 11 26 39  o 5.5980  1.1750 2.424000       2.351000  
1 1 1 11 26 40  o 5.5600  1.2710 1.089000       2.542000  
1 1 1 11 26 41  o 4.3510  1.2880 0.4082000      2.575000  
1 1 1 11 26 42  o 3.7700  1.1810 -0.7716000     2.361000  
1 1 1 11 26 43  o 3.6570  1.1610 -1.040000      2.322000  
1 1 1 11 26 44  o 5.5050  1.3800 1.657000       2.759000  
1 1 1 11 26 45  o 4.4520  1.3460 -1.264000      2.693000  
1 1 1 11 26 46  o 3.7260  1.8590 ?              ?         
1 1 1 11 27 0   o 8.1100  1.3090 -0.000000      0.000000  
1 1 1 11 27 1   f 10.450  0.6953 0.7506000      1.391000  
1 1 1 11 27 2   o 9.0540  0.7592 -0.2844000E-01 1.518000  
1 1 1 11 27 3   o 6.5870  1.0440 -0.2521000E-01 2.088000  
1 1 1 11 27 4   o 4.6670  1.1110 -2.053000      2.222000  
1 1 1 11 27 5   o 6.3040  1.1100 -0.3613000     2.221000  
1 1 1 11 27 6   o 4.4880  1.1160 -1.495000      2.233000  
1 1 1 11 27 7   o 3.5140  1.0460 -0.6657000     2.092000  
1 1 1 11 27 8   o 4.0210  1.0880 1.785000       2.176000  
1 1 1 11 27 9   o 9.0930  0.7896 -0.8478000     1.579000  
1 1 1 11 27 10  o 6.2740  1.1150 -0.4138000     2.229000  
1 1 1 11 27 11  o 5.0830  1.1620 -0.2798000     2.323000  
1 1 1 11 27 12  o 3.1610  1.0010 -0.3850000     2.003000  
1 1 1 11 27 13  o 3.4940  1.0310 -1.091000      2.063000  
1 1 1 11 27 14  o 4.4480  1.1410 0.6869000      2.283000  
1 1 1 11 27 15  o 5.0780  1.1280 1.761000       2.256000  
1 1 1 11 27 16  o 6.5090  1.0720 -1.760000      2.145000  
1 1 1 11 27 17  o 5.1260  1.1630 1.576000       2.326000  
1 1 1 11 27 18  o 6.0650  1.0810 1.998000       2.161000  
1 1 1 11 27 19  o 4.7600  1.1640 -0.6652000     2.328000  
1 1 1 11 27 20  o 8.7530  0.8152 -0.2184000E-01 1.630000  
1 1 1 11 27 21  o 8.9720  0.8075 -0.3881000     1.615000  
1 1 1 11 27 22  o 4.2060  1.1230 0.6463000      2.246000  
1 1 1 11 27 23  f 6.4940  1.0800 -1.661000      2.161000  
1 1 1 11 27 24  o 7.0420  1.0240 1.608000       2.047000  
1 1 1 11 27 25  o 6.6060  1.1110 -1.569000      2.221000  
1 1 1 11 27 26  o 6.2280  1.1600 1.277000       2.321000  
1 1 1 11 27 27  o 5.1270  1.1900 -0.5652000     2.381000  
1 1 1 11 27 28  o 5.5820  1.1700 -1.639000      2.341000  
1 1 1 11 27 29  f 8.4380  0.9333 2.253000       1.867000  
1 1 1 11 27 30  f 7.6040  1.0330 -0.1352000     2.066000  
1 1 1 11 27 31  o 5.5370  1.1510 -2.146000      2.302000  
1 1 1 11 27 32  f 2.9010  0.9652 -0.2988000     1.930000  
1 1 1 11 27 33  o 3.3120  1.0580 0.3559000      2.117000  
1 1 1 11 27 34  o 4.2450  1.1340 2.330000       2.269000  
1 1 1 11 27 35  o 4.2130  1.2040 -0.5298000     2.407000  
1 1 1 11 27 36  o 4.9180  1.2760 -0.9307000     2.552000  
1 1 1 11 27 37  o 4.2890  1.2120 0.5725000      2.424000  
1 1 1 11 27 38  o 4.3420  1.2030 1.504000       2.407000  
1 1 1 11 27 39  o 4.2910  1.3800 0.2054000      2.761000  
1 1 1 11 27 40  o 4.0600  1.9740 ?              ?         
1 1 1 11 28 0   o 9.9590  1.0690 -0.000000      0.000000  
1 1 1 11 28 1   o 7.7860  0.9417 1.378000       1.883000  
1 1 1 11 28 2   o 6.2830  1.0970 -0.2642000     2.195000  
1 1 1 11 28 3   o 7.2010  1.0010 -3.145000      2.003000  
1 1 1 11 28 4   o 7.2400  0.9991 -1.681000      1.998000  
1 1 1 11 28 5   o 7.0140  1.0670 -1.095000      2.134000  
1 1 1 11 28 6   o 10.940  0.6788 -1.027000      1.358000  
1 1 1 11 28 7   o 12.240  0.6421 1.229000       1.284000  
1 1 1 11 28 8   o 13.290  0.5963 -0.7661000     1.193000  
1 1 1 11 28 9   o 5.6220  1.1210 -2.102000      2.242000  
1 1 1 11 28 10  o 3.0890  0.9927 0.3939000      1.985000  
1 1 1 11 28 11  o 4.0690  1.1440 0.1166000      2.289000  
1 1 1 11 28 12  o 8.7210  0.8539 -0.5919000     1.708000  
1 1 1 11 28 13  f 7.9890  0.9312 1.299000       1.862000  
1 1 1 11 28 14  o 5.8020  1.1470 0.5750000      2.294000  
1 1 1 11 28 15  o 8.6180  0.8769 0.9594000      1.754000  
1 1 1 11 28 16  o 11.020  0.6890 0.6018000      1.378000  
1 1 1 11 28 17  o 6.6790  1.0930 -2.730000      2.186000  
1 1 1 11 28 18  o 9.2090  0.8326 1.598000       1.665000  
1 1 1 11 28 19  o 10.930  0.7078 0.6494000      1.416000  
1 1 1 11 28 20  o 8.1320  0.8953 -1.025000      1.791000  
1 1 1 11 28 21  o 4.4820  1.1500 1.496000       2.300000  
1 1 1 11 28 22  o 4.5940  1.1720 0.5831000E-01  2.344000  
1 1 1 11 28 23  o 4.4910  1.1770 -1.086000      2.354000  
1 1 1 11 28 24  o 10.050  0.7812 -0.3278000     1.562000  
1 1 1 11 28 25  o 5.1020  1.2120 1.569000       2.423000  
1 1 1 11 28 26  o 4.3590  1.1770 -0.6993000     2.355000  
1 1 1 11 28 27  o 4.3640  1.1950 -0.1836000     2.390000  
1 1 1 11 28 28  o 4.0010  1.1420 -0.4072000     2.284000  
1 1 1 11 28 29  o 4.4300  1.1230 -2.396000      2.245000  
1 1 1 11 28 30  o 4.0450  1.1580 -0.5591000     2.316000  
1 1 1 11 28 31  o 3.9670  1.3240 -1.694000      2.649000  
1 1 1 11 28 32  o 4.9820  1.3980 3.507000       2.795000  
1 1 1 11 28 33  o 3.8110  1.9140 ?              ?         
1 1 1 11 29 0   o 2.6130  1.6720 0.000000       0.000000  
1 1 1 11 29 1   o 4.6240  1.1430 1.332000       2.287000  
1 1 1 11 29 2   o 5.6390  1.1590 -0.1729000     2.319000  
1 1 1 11 29 3   f 6.0010  1.1590 0.3529000      2.318000  
1 1 1 11 29 4   o 6.4760  1.1010 0.7748000      2.201000  
1 1 1 11 29 5   o 7.3170  1.0320 -0.1942000     2.064000  
1 1 1 11 29 6   o 3.2600  1.0280 0.6272000      2.056000  
1 1 1 11 29 7   o 2.9720  0.9609 1.053000       1.922000  
1 1 1 11 29 8   o 3.3910  1.0550 0.6063000      2.110000  
1 1 1 11 29 9   o 5.4770  1.1620 1.415000       2.324000  
1 1 1 11 29 10  o 4.5730  1.1540 1.847000       2.308000  
1 1 1 11 29 11  o 3.3970  1.0610 0.8979000E-01  2.122000  
1 1 1 11 29 12  o 4.1120  1.1470 -1.368000      2.295000  
1 1 1 11 29 13  o 5.7680  1.2020 -0.6122000E-01 2.404000  
1 1 1 11 29 14  o 4.6260  1.1920 -0.1663000     2.385000  
1 1 1 11 29 15  o 5.3700  1.2060 -0.2445000E-01 2.413000  
1 1 1 11 29 16  o 6.6000  1.1030 -0.3650000     2.206000  
1 1 1 11 29 17  o 9.4310  0.8331 -1.319000      1.666000  
1 1 1 11 29 18  o 7.1700  1.0340 -1.408000      2.068000  
1 1 1 11 29 19  o 4.2220  1.1530 1.576000       2.305000  
1 1 1 11 29 20  o 3.7190  1.1460 0.2601000      2.292000  
1 1 1 11 29 21  o 6.0020  1.8520 ?              ?         
1 1 1 11 29 22  o 3.7660  1.8730 ?              ?         
1 1 1 11 29 23  o 4.4960  2.1790 ?              ?         
1 1 1 11 29 24  o 3.2570  1.6620 ?              ?         
1 1 1 12 0  0   o 12.040  0.6562 0.000000       0.000000  
1 1 1 12 0  1   o 67.640  2.6870 0.000000       0.000000  
1 1 1 12 0  2   o 20.560  0.8572 -0.000000      0.000000  
1 1 1 12 0  3   o 47.590  1.8830 -0.000000      0.000000  
1 1 1 12 0  4   o 34.620  1.3730 -0.000000      0.000000  
1 1 1 12 0  5   o 84.840  3.3940 0.000000       0.000000  
1 1 1 12 0  6   o 35.280  1.3960 0.000000       0.000000  
1 1 1 12 0  7   o 32.290  1.2790 -0.000000      0.000000  
1 1 1 12 0  8   o 55.850  2.2120 0.000000       0.000000  
1 1 1 12 0  9   o 26.580  1.0630 0.000000       0.000000  
1 1 1 12 0  10  o 22.980  0.9352 0.000000       0.000000  
1 1 1 12 0  11  o 26.220  1.0580 0.000000       0.000000  
1 1 1 12 0  12  o 13.660  0.6853 0.000000       0.000000  
1 1 1 12 0  13  o 2.0010  1.0140 0.000000       0.000000  
1 1 1 12 0  15  o 2.4290  0.9843 0.000000       0.000000  
1 1 1 12 0  18  o 39.710  1.1110 0.000000       0.000000  
1 1 1 12 0  20  o 43.090  1.2100 0.000000       0.000000  
1 1 1 12 0  21  o 16.680  0.7406 0.000000       0.000000  
1 1 1 12 0  22  o 34.500  1.3710 0.000000       0.000000  
1 1 1 12 0  23  o 7.1070  0.9239 0.000000       0.000000  
1 1 1 12 0  24  o 5.0890  1.5100 0.000000       0.000000  
1 1 1 12 0  25  o 29.170  1.1860 0.000000       0.000000  
1 1 1 12 0  26  o 18.110  0.8677 -0.000000      0.000000  
1 1 1 12 0  27  f 97.330  3.8740 0.000000       0.000000  
1 1 1 12 0  28  o 66.590  2.6350 0.000000       0.000000  
1 1 1 12 0  29  o 13.320  0.9519 0.000000       0.000000  
1 1 1 12 0  30  f 15.070  0.9596 0.000000       0.000000  
1 1 1 12 0  32  o 9.2570  1.4670 0.000000       0.000000  
1 1 1 12 0  33  o 20.240  1.0660 -0.000000      0.000000  
1 1 1 12 0  34  o 50.880  2.0460 0.000000       0.000000  
1 1 1 12 0  35  o 19.580  1.1400 0.000000       0.000000  
1 1 1 12 0  36  o 21.630  1.1640 0.000000       0.000000  
1 1 1 12 0  37  o 25.760  1.2420 0.000000       0.000000  
1 1 1 12 0  38  o 37.100  1.5630 0.000000       0.000000  
1 1 1 12 0  39  o 14.060  1.4690 0.000000       0.000000  
1 1 1 12 0  40  o 65.830  2.6390 0.000000       0.000000  
1 1 1 12 0  41  o 21.980  1.3210 0.000000       0.000000  
1 1 1 12 0  42  o 6.1430  2.9210 0.000000       0.000000  
1 1 1 12 0  43  o 29.480  1.4180 0.000000       0.000000  
1 1 1 12 0  44  o 11.260  2.1690 0.000000       0.000000  
1 1 1 12 0  45  o 14.380  1.7830 0.000000       0.000000  
1 1 1 12 0  46  o 16.710  1.6660 0.000000       0.000000  
1 1 1 12 0  47  o 32.620  1.5610 0.000000       0.000000  
1 1 1 12 0  48  o 4.5240  2.7510 0.000000       0.000000  
1 1 1 12 0  49  o 6.6500  3.1950 0.000000       0.000000  
1 1 1 12 0  50  o 4.2840  2.7830 0.000000       0.000000  
1 1 1 12 0  51  f 16.740  2.0710 0.000000       0.000000  
1 1 1 12 0  52  o 15.440  2.1580 0.000000       0.000000  
1 1 1 12 0  53  o 16.690  1.9470 0.000000       0.000000  
1 1 1 12 0  54  o 16.100  2.2950 0.000000       0.000000  
1 1 1 12 0  55  o 3.5340  2.4660 0.000000       0.000000  
1 1 1 12 0  56  o 25.220  1.8390 0.000000       0.000000  
1 1 1 12 0  57  o 10.390  3.6090 0.000000       0.000000  
1 1 1 12 0  58  o 15.350  2.4680 0.000000       0.000000  
1 1 1 12 0  59  o 24.070  1.8160 0.000000       0.000000  
1 1 1 12 0  60  o 4.0450  2.7610 0.000000       0.000000  
1 1 1 12 0  61  o 6.0440  3.5710 -0.000000      0.000000  
1 1 1 12 0  62  o 6.2960  3.6790 0.000000       0.000000  
1 1 1 12 0  63  o 15.040  2.7900 0.000000       0.000000  
1 1 1 12 0  64  o 28.770  1.9230 -0.000000      0.000000  
1 1 1 12 0  65  o 5.2260  3.3830 0.000000       0.000000  
1 1 1 12 0  66  o 4.2600  2.9570 -0.000000      0.000000  
1 1 1 12 0  67  o 8.9430  4.3470 -0.000000      0.000000  
1 1 1 12 0  68  o 6.7680  4.0210 -0.000000      0.000000  
1 1 1 12 0  69  f 7.9790  4.4370 0.000000       0.000000  
1 1 1 12 0  70  o 6.7940  4.1750 -0.000000      0.000000  
1 1 1 12 0  71  o 6.3260  3.9420 -0.000000      0.000000  
1 1 1 12 0  72  o 10.040  4.8980 -0.000000      0.000000  
1 1 1 12 0  73  o 5.1290  3.4960 0.000000       0.000000  
1 1 1 12 0  74  o 13.000  4.7760 -0.000000      0.000000  
1 1 1 12 0  75  o 5.4280  3.6220 0.000000       0.000000  
1 1 1 12 0  76  o 5.6750  3.7550 0.000000       0.000000  
1 1 1 12 0  77  o 5.8110  3.7290 0.000000       0.000000  
1 1 1 12 0  78  o 6.9550  4.1370 -0.000000      0.000000  
1 1 1 12 0  79  o 5.8770  3.7440 0.000000       0.000000  
1 1 1 12 0  80  o 4.6300  3.1610 0.000000       0.000000  
1 1 1 12 0  81  o 3.7370  2.6660 0.000000       0.000000  
1 1 1 12 0  82  o 3.7150  2.6520 -0.000000      0.000000  
1 1 1 12 0  83  o 4.6310  3.1740 0.000000       0.000000  
1 1 1 12 0  84  o 4.5290  3.1260 -0.000000      0.000000  
1 1 1 12 0  85  o 4.4760  3.1020 -0.000000      0.000000  
1 1 1 12 0  86  o 3.7230  2.6540 -0.000000      0.000000  
1 1 1 12 0  87  o 4.0990  2.8510 -0.000000      0.000000  
1 1 1 12 0  88  o 3.7200  2.6170 0.000000       0.000000  
1 1 1 12 0  89  o 3.0360  2.1360 -0.000000      0.000000  
1 1 1 12 0  90  o 3.7190  2.4220 0.000000       0.000000  
1 1 1 12 1  0   o 18.690  0.8192 -0.000000      0.000000  
1 1 1 12 1  1   o 19.530  0.5946 0.2911000      1.189000  
1 1 1 12 1  2   o 40.470  0.9811 0.1667000      1.962000  
1 1 1 12 1  3   o 28.220  0.7976 -0.7680000     1.595000  
1 1 1 12 1  4   o 37.020  1.0360 0.2922000      2.072000  
1 1 1 12 1  5   o 31.440  0.8826 -0.7047000     1.765000  
1 1 1 12 1  6   o 60.080  1.6970 2.218000       3.395000  
1 1 1 12 1  7   o 60.870  1.7210 -1.902000      3.441000  
1 1 1 12 1  8   o 33.670  0.9471 -0.4573000     1.894000  
1 1 1 12 1  9   o 76.740  2.2300 4.270000       4.460000  
1 1 1 12 1  10  o 57.090  1.6040 -6.837000      3.207000  
1 1 1 12 1  11  o 46.530  1.3060 6.996000       2.613000  
1 1 1 12 1  12  o 14.840  0.4958 -6.241000      0.9916000 
1 1 1 12 1  13  f 48.240  1.3530 1.823000       2.705000  
1 1 1 12 1  14  o 34.380  0.9686 -1.082000      1.937000  
1 1 1 12 1  15  o 57.860  2.2940 ?              ?         
1 1 1 12 1  16  f 20.020  0.8223 36.73000       1.645000  
1 1 1 12 1  17  o 50.260  1.9840 ?              ?         
1 1 1 12 1  18  o 31.040  1.2290 ?              ?         
1 1 1 12 1  19  o 15.540  0.6881 ?              ?         
1 1 1 12 1  20  o 29.740  1.1840 ?              ?         
1 1 1 12 1  21  o 21.050  0.5577 2.739000       1.115000  
1 1 1 12 1  22  o 27.670  0.6762 -3.142000      1.352000  
1 1 1 12 1  23  o 14.190  0.4620 0.3516000      0.9241000 
1 1 1 12 1  24  o 30.710  0.7578 -0.9455000     1.516000  
1 1 1 12 1  25  o 43.740  1.0530 -2.432000      2.106000  
1 1 1 12 1  26  o 29.590  0.7470 0.7851000      1.494000  
1 1 1 12 1  27  o 38.790  0.9501 -0.4271000     1.900000  
1 1 1 12 1  28  o 57.940  1.4020 -0.4309000     2.805000  
1 1 1 12 1  29  o 54.240  1.3150 -1.017000      2.629000  
1 1 1 12 1  30  o 30.920  0.9099 -1.740000      1.820000  
1 1 1 12 1  31  o 45.010  1.2760 1.384000       2.551000  
1 1 1 12 1  32  o 24.850  0.8077 1.680000       1.615000  
1 1 1 12 1  33  o 69.430  1.9860 -1.497000      3.973000  
1 1 1 12 1  34  o 23.170  0.8113 3.726000       1.623000  
1 1 1 12 1  35  o 13.760  0.8808 2.082000       1.762000  
1 1 1 12 1  36  f 47.450  1.3560 0.8366000      2.712000  
1 1 1 12 1  37  o 48.880  1.4000 1.485000       2.800000  
1 1 1 12 1  38  o 29.970  0.9585 2.027000       1.917000  
1 1 1 12 1  39  o 30.420  0.9738 -0.1848000     1.948000  
1 1 1 12 1  40  o 23.380  0.9135 1.667000       1.827000  
1 1 1 12 1  41  o 57.080  1.6400 1.100000       3.280000  
1 1 1 12 1  42  o 37.970  1.1660 0.3514000      2.332000  
1 1 1 12 1  43  o 12.350  1.3200 -0.7733000     2.640000  
1 1 1 12 1  44  o 38.340  1.1790 0.4404000E-01  2.357000  
1 1 1 12 1  45  o 21.600  1.0020 1.004000       2.004000  
1 1 1 12 1  46  o 20.470  1.0410 0.5929000      2.083000  
1 1 1 12 1  47  f 21.890  1.0340 -0.8948000     2.069000  
1 1 1 12 1  48  o 25.050  1.0460 2.183000       2.093000  
1 1 1 12 1  49  o 18.470  1.1950 -1.904000      2.389000  
1 1 1 12 1  50  o 22.470  1.1210 -0.6936000     2.242000  
1 1 1 12 1  51  o 8.5310  1.9880 1.893000       3.976000  
1 1 1 12 1  52  o 24.960  1.1590 -0.3286000     2.318000  
1 1 1 12 1  53  f 32.240  1.1840 1.214000       2.367000  
1 1 1 12 1  54  o 9.5690  2.0540 -2.759000      4.108000  
1 1 1 12 1  55  o 22.210  1.2590 1.278000       2.518000  
1 1 1 12 1  56  o 12.240  2.0220 -3.243000      4.045000  
1 1 1 12 1  57  f 18.440  1.4970 -0.1377000     2.995000  
1 1 1 12 1  58  o 6.5560  1.9780 -1.136000      3.957000  
1 1 1 12 1  59  o 18.880  1.5050 -0.4909000     3.010000  
1 1 1 12 1  60  o 22.270  1.4330 0.6028000      2.865000  
1 1 1 12 1  61  o 22.970  1.4630 -1.522000      2.926000  
1 1 1 12 1  62  o 21.410  1.4930 -1.639000      2.986000  
1 1 1 12 1  63  o 8.3820  2.2940 0.3928000      4.588000  
1 1 1 12 1  64  o 5.8980  1.9230 -1.314000      3.846000  
1 1 1 12 1  65  o 9.8150  2.3560 4.858000       4.713000  
1 1 1 12 1  66  o 10.130  2.4710 2.831000       4.941000  
1 1 1 12 1  67  o 6.2990  2.0610 1.068000       4.123000  
1 1 1 12 1  68  f 7.7090  2.3620 -0.1950000     4.723000  
1 1 1 12 1  69  o 5.4990  1.9160 0.7610000      3.832000  
1 1 1 12 1  70  f 14.080  2.4930 -8.760000      4.986000  
1 1 1 12 1  71  o 8.0720  2.4960 -0.8546000     4.992000  
1 1 1 12 1  72  o 9.0590  2.6200 -3.506000      5.239000  
1 1 1 12 1  73  o 8.0330  2.4490 -0.2347000     4.898000  
1 1 1 12 1  74  o 7.0690  2.2840 -2.471000      4.567000  
1 1 1 12 1  75  o 7.8500  2.4330 1.188000       4.867000  
1 1 1 12 1  76  o 5.3790  1.8660 -1.283000      3.733000  
1 1 1 12 1  77  f 8.0850  2.3640 -4.205000      4.729000  
1 1 1 12 1  78  o 6.0110  2.0350 -0.4798000     4.070000  
1 1 1 12 1  79  o 6.4790  2.1400 1.115000       4.280000  
1 1 1 12 1  80  o 7.8030  2.2330 -4.383000      4.466000  
1 1 1 12 1  81  f 6.5300  2.1120 0.4295000      4.225000  
1 1 1 12 1  82  o 6.3510  2.0770 1.237000       4.154000  
1 1 1 12 1  83  f 6.5060  2.0920 -1.660000      4.184000  
1 1 1 12 1  84  o 5.7680  1.9470 -0.5658000     3.893000  
1 1 1 12 1  85  o 6.0560  1.9850 -1.807000      3.971000  
1 1 1 12 1  86  o 4.4450  1.5650 -0.1864000     3.130000  
1 1 1 12 1  87  o 5.5040  1.8360 -1.106000      3.672000  
1 1 1 12 1  88  o 4.4070  1.5400 0.8360000      3.079000  
1 1 1 12 1  89  o 4.1110  1.4030 0.1174000      2.806000  
1 1 1 12 1  90  o 3.3830  1.6870 ?              ?         
1 1 1 12 2  0   o 34.040  1.3620 0.000000       0.000000  
1 1 1 12 2  1   o 29.290  0.7278 -0.3100000     1.456000  
1 1 1 12 2  2   o 42.080  1.0120 2.579000       2.024000  
1 1 1 12 2  3   o 22.870  0.6087 -5.341000      1.217000  
1 1 1 12 2  4   f 8.6020  0.5098 -4.802000      1.020000  
1 1 1 12 2  5   o 5.1960  0.5297 -0.8153000     1.059000  
1 1 1 12 2  6   o 51.120  1.2270 5.776000       2.455000  
1 1 1 12 2  7   o 64.910  2.5890 ?              ?         
1 1 1 12 2  8   o 56.860  1.5990 -7.928000      3.198000  
1 1 1 12 2  9   o 42.880  1.1980 2.472000       2.396000  
1 1 1 12 2  10  o 30.100  0.8517 -3.975000      1.703000  
1 1 1 12 2  11  o 38.100  1.0690 4.176000       2.139000  
1 1 1 12 2  12  o 26.900  0.7699 -4.952000      1.540000  
1 1 1 12 2  13  o 46.660  1.3110 2.699000       2.623000  
1 1 1 12 2  14  o 39.110  1.0960 0.9076000      2.193000  
1 1 1 12 2  15  o 88.700  2.5230 0.2916000      5.046000  
1 1 1 12 2  16  o 36.070  1.0400 15.09000       2.081000  
1 1 1 12 2  17  o 16.810  0.5677 2.111000       1.135000  
1 1 1 12 2  18  f 17.780  0.7595 ?              ?         
1 1 1 12 2  19  o 35.080  1.3880 ?              ?         
1 1 1 12 2  20  o 23.510  0.9602 ?              ?         
1 1 1 12 2  21  o 12.840  0.6754 ?              ?         
1 1 1 12 2  22  o 9.9780  0.4945 3.557000       0.9891000 
1 1 1 12 2  23  o 18.950  0.5214 -2.952000      1.043000  
1 1 1 12 2  24  o 42.240  1.0090 -5.380000      2.018000  
1 1 1 12 2  25  o 34.200  0.8515 1.959000       1.703000  
1 1 1 12 2  26  o 24.460  0.6386 -1.994000      1.277000  
1 1 1 12 2  27  o 27.530  0.7110 0.9000000      1.422000  
1 1 1 12 2  28  o 29.320  0.7446 -0.9095000     1.489000  
1 1 1 12 2  29  o 26.450  0.7009 0.8893000      1.402000  
1 1 1 12 2  30  o 19.100  0.6031 -0.7458000     1.206000  
1 1 1 12 2  31  o 36.150  0.9119 1.068000       1.824000  
1 1 1 12 2  32  o 49.890  1.2200 -0.6966000     2.440000  
1 1 1 12 2  33  o 17.340  0.6586 0.8404000      1.317000  
1 1 1 12 2  34  o 16.560  0.6893 1.824000       1.379000  
1 1 1 12 2  35  o 71.310  1.7420 -1.821000      3.483000  
1 1 1 12 2  36  o 52.610  1.3170 3.655000       2.634000  
1 1 1 12 2  37  o 61.950  1.7740 -2.129000      3.548000  
1 1 1 12 2  38  o 16.180  0.9099 3.665000       1.820000  
1 1 1 12 2  39  o 38.440  1.1400 0.3619000      2.281000  
1 1 1 12 2  40  o 11.470  1.2450 0.5818000      2.489000  
1 1 1 12 2  41  o 23.820  0.9298 3.427000       1.860000  
1 1 1 12 2  42  o 8.1060  1.6500 -1.463000      3.301000  
1 1 1 12 2  43  o 30.380  1.0200 2.656000       2.040000  
1 1 1 12 2  44  o 23.480  0.9601 2.476000       1.920000  
1 1 1 12 2  45  o 16.320  1.1400 2.205000       2.280000  
1 1 1 12 2  46  o 30.790  1.0520 -1.487000      2.104000  
1 1 1 12 2  47  o 20.570  1.0600 1.678000       2.120000  
1 1 1 12 2  48  o 31.950  1.0950 -0.1865000     2.190000  
1 1 1 12 2  49  o 24.120  1.0800 -1.309000      2.159000  
1 1 1 12 2  50  o 31.890  1.1240 -2.499000      2.248000  
1 1 1 12 2  51  o 11.570  1.8220 -2.037000      3.643000  
1 1 1 12 2  52  o 11.850  1.8260 -2.800000      3.652000  
1 1 1 12 2  53  o 11.270  1.8210 -3.477000      3.643000  
1 1 1 12 2  54  o 7.1930  2.0120 -0.2225000     4.024000  
1 1 1 12 2  55  o 7.5790  2.0690 1.209000       4.138000  
1 1 1 12 2  56  o 7.5470  2.0560 3.287000       4.111000  
1 1 1 12 2  57  o 7.6490  2.1190 -0.5277000     4.238000  
1 1 1 12 2  58  o 26.310  1.2620 -1.346000      2.523000  
1 1 1 12 2  59  o 14.580  1.9090 -3.798000      3.818000  
1 1 1 12 2  60  o 8.1250  2.2660 -0.4356000     4.532000  
1 1 1 12 2  61  o 22.580  1.5130 -3.055000      3.026000  
1 1 1 12 2  62  o 9.0170  2.3140 1.436000       4.628000  
1 1 1 12 2  63  o 9.2210  2.3360 -3.247000      4.673000  
1 1 1 12 2  64  o 13.690  2.2810 -1.637000      4.563000  
1 1 1 12 2  65  o 7.2360  2.1890 -1.754000      4.379000  
1 1 1 12 2  66  o 8.4120  2.3520 2.095000       4.705000  
1 1 1 12 2  67  o 7.6780  2.3320 0.1699000      4.664000  
1 1 1 12 2  68  o 7.7810  2.3920 -0.8252000     4.784000  
1 1 1 12 2  69  o 17.270  2.4250 2.081000       4.850000  
1 1 1 12 2  70  o 6.5780  2.2060 1.567000       4.411000  
1 1 1 12 2  71  o 7.8480  2.4550 0.2241000      4.909000  
1 1 1 12 2  72  o 5.0780  1.7910 0.3891000E-01  3.581000  
1 1 1 12 2  73  f 7.6820  2.3910 0.3369000      4.783000  
1 1 1 12 2  74  o 6.5900  2.1510 -0.7535000     4.303000  
1 1 1 12 2  75  o 8.9880  2.5590 2.344000       5.119000  
1 1 1 12 2  76  o 7.0870  2.2950 -0.4984000     4.589000  
1 1 1 12 2  77  f 6.6090  2.2120 1.429000       4.423000  
1 1 1 12 2  78  f 6.2330  2.1050 0.3815000      4.210000  
1 1 1 12 2  79  o 6.2280  2.0920 0.2884000      4.185000  
1 1 1 12 2  80  o 5.8230  1.9730 1.365000       3.945000  
1 1 1 12 2  81  o 5.6000  1.9100 0.1223000      3.821000  
1 1 1 12 2  82  o 8.2290  2.3180 3.013000       4.637000  
1 1 1 12 2  83  o 5.8250  1.9800 0.3239000      3.960000  
1 1 1 12 2  84  o 5.8070  1.9900 0.6711000      3.980000  
1 1 1 12 2  85  o 4.8920  1.7320 1.243000       3.463000  
1 1 1 12 2  86  o 5.5960  1.8940 1.333000       3.788000  
1 1 1 12 2  87  o 4.4220  1.5600 -0.1837000     3.121000  
1 1 1 12 2  88  o 4.3460  1.5200 -0.6684000     3.040000  
1 1 1 12 2  89  o 4.7940  1.5500 -0.4804000     3.100000  
1 1 1 12 2  90  o 3.7470  1.8310 ?              ?         
1 1 1 12 3  0   o 32.160  0.9162 -0.000000      0.000000  
1 1 1 12 3  1   o 20.050  0.4552 0.9399000      0.9105000 
1 1 1 12 3  2   o 42.840  0.8489 2.585000       1.698000  
1 1 1 12 3  3   o 47.040  0.9314 1.903000       1.863000  
1 1 1 12 3  4   o 64.150  1.2670 1.799000       2.534000  
1 1 1 12 3  5   o 16.960  0.4518 ?              ?         
1 1 1 12 3  6   o 39.310  0.7149 2.990000       1.430000  
1 1 1 12 3  7   o 26.600  0.5573 -3.972000      1.115000  
1 1 1 12 3  8   o 18.150  0.4286 -0.9682000     0.8571000 
1 1 1 12 3  9   o 40.460  1.6020 ?              ?         
1 1 1 12 3  10  o 30.470  0.7512 -1.409000      1.502000  
1 1 1 12 3  11  o 28.280  0.7031 -1.455000      1.406000  
1 1 1 12 3  12  o 43.630  1.0580 -0.5860000     2.116000  
1 1 1 12 3  13  o 35.380  0.9938 0.7838000      1.988000  
1 1 1 12 3  14  o 72.090  2.0360 0.4885000      4.072000  
1 1 1 12 3  15  o 46.340  1.2980 3.730000       2.596000  
1 1 1 12 3  16  o 26.380  0.7660 0.8781000      1.532000  
1 1 1 12 3  17  o 47.830  1.3440 -3.202000      2.688000  
1 1 1 12 3  18  o 31.890  0.9132 4.352000       1.826000  
1 1 1 12 3  19  o 29.280  1.1710 ?              ?         
1 1 1 12 3  20  o 26.390  0.7817 2.254000       1.563000  
1 1 1 12 3  21  f 15.320  0.7380 ?              ?         
1 1 1 12 3  22  o 49.660  1.9660 ?              ?         
1 1 1 12 3  23  o 41.590  1.0310 3.672000       2.062000  
1 1 1 12 3  24  f 31.390  0.8076 5.625000       1.615000  
1 1 1 12 3  25  o 22.750  0.6097 -1.216000      1.219000  
1 1 1 12 3  26  o 24.830  0.6553 0.3014000      1.311000  
1 1 1 12 3  27  o 35.060  0.8635 -1.915000      1.727000  
1 1 1 12 3  28  o 61.730  1.4890 -2.603000      2.978000  
1 1 1 12 3  29  o 39.030  0.9986 7.316000       1.997000  
1 1 1 12 3  30  o 37.610  0.9360 -0.4977000     1.872000  
1 1 1 12 3  31  o 30.960  0.7971 -1.006000      1.594000  
1 1 1 12 3  32  o 19.890  0.6433 -0.4646000     1.287000  
1 1 1 12 3  33  f 10.030  0.8631 1.419000       1.726000  
1 1 1 12 3  34  o 14.910  0.6957 0.4611000      1.391000  
1 1 1 12 3  35  o 44.480  1.0970 -2.000000      2.194000  
1 1 1 12 3  36  o 24.490  0.7428 2.431000       1.486000  
1 1 1 12 3  37  o 26.700  0.7663 -0.4272000     1.533000  
1 1 1 12 3  38  o 34.370  0.9322 6.024000       1.864000  
1 1 1 12 3  39  o 46.470  1.1580 -2.119000      2.316000  
1 1 1 12 3  40  o 25.380  0.8062 4.285000       1.612000  
1 1 1 12 3  41  o 15.490  0.8673 -2.349000      1.735000  
1 1 1 12 3  42  o 18.860  0.8236 -0.7433000     1.647000  
1 1 1 12 3  43  o 29.110  0.8556 0.3448000      1.711000  
1 1 1 12 3  44  o 36.260  1.6240 ?              ?         
1 1 1 12 3  45  o 13.710  1.2560 0.3758000      2.511000  
1 1 1 12 3  46  o 19.180  1.0380 -0.1959000     2.077000  
1 1 1 12 3  47  o 16.010  1.1750 0.2061000      2.351000  
1 1 1 12 3  48  o 27.800  1.0480 0.4250000      2.097000  
1 1 1 12 3  49  o 28.590  1.5240 ?              ?         
1 1 1 12 3  50  o 14.390  2.0660 ?              ?         
1 1 1 12 3  51  o 5.5600  2.4430 ?              ?         
1 1 1 12 3  52  o 10.350  2.6930 ?              ?         
1 1 1 12 3  53  o 17.630  1.8370 ?              ?         
1 1 1 12 3  54  o 29.500  1.6410 ?              ?         
1 1 1 12 3  55  o 19.850  1.8490 ?              ?         
1 1 1 12 3  56  o 18.400  1.9660 ?              ?         
1 1 1 12 3  57  o 12.840  2.6850 ?              ?         
1 1 1 12 3  58  o 18.790  2.0640 ?              ?         
1 1 1 12 3  59  o 13.300  3.0570 ?              ?         
1 1 1 12 3  60  f 7.4250  3.0710 ?              ?         
1 1 1 12 3  61  o 7.8120  3.1780 ?              ?         
1 1 1 12 3  62  f 11.080  3.3700 ?              ?         
1 1 1 12 3  63  o 11.000  3.4530 ?              ?         
1 1 1 12 3  64  o 14.300  3.2050 ?              ?         
1 1 1 12 3  65  o 13.110  3.5290 ?              ?         
1 1 1 12 3  66  o 8.0040  3.3510 ?              ?         
1 1 1 12 3  67  o 14.870  3.5040 ?              ?         
1 1 1 12 3  68  o 7.3080  3.2940 ?              ?         
1 1 1 12 3  69  o 11.900  3.8690 ?              ?         
1 1 1 12 3  70  o 5.7360  2.7980 ?              ?         
1 1 1 12 3  71  o 7.3780  3.2930 ?              ?         
1 1 1 12 3  72  o 9.0000  3.5920 ?              ?         
1 1 1 12 3  73  o 6.1620  2.0560 1.304000       4.112000  
1 1 1 12 3  74  o 6.3960  2.1030 -1.271000      4.205000  
1 1 1 12 3  75  o 6.1030  2.0530 1.430000       4.107000  
1 1 1 12 3  76  f 7.3390  2.3370 -0.9891000     4.674000  
1 1 1 12 3  77  o 6.2560  2.0780 1.244000       4.157000  
1 1 1 12 3  78  o 7.2020  2.2830 -2.478000      4.566000  
1 1 1 12 3  79  f 5.6350  1.9240 0.5927000      3.847000  
1 1 1 12 3  80  o 6.9350  2.2020 1.481000       4.403000  
1 1 1 12 3  81  o 5.1670  1.7730 -0.4986000     3.546000  
1 1 1 12 3  82  o 5.9520  2.0020 0.4703000      4.004000  
1 1 1 12 3  83  o 5.4290  1.8660 -0.1407000     3.732000  
1 1 1 12 3  84  o 5.3780  1.8510 -0.1853000     3.702000  
1 1 1 12 3  85  o 5.3190  1.7970 -1.396000      3.593000  
1 1 1 12 3  86  o 4.2690  1.5190 0.6888000      3.038000  
1 1 1 12 3  87  o 4.4520  1.5720 0.9274000      3.145000  
1 1 1 12 3  88  o 3.7700  1.3380 0.4308000      2.677000  
1 1 1 12 3  89  o 4.7130  1.5600 0.9528000      3.120000  
1 1 1 12 3  90  o 3.7800  1.8510 ?              ?         
1 1 1 12 4  0   o 91.570  3.6550 -0.000000      0.000000  
1 1 1 12 4  2   o 57.500  1.1370 4.232000       2.273000  
1 1 1 12 4  3   o 61.930  1.1160 -2.029000      2.232000  
1 1 1 12 4  4   o 25.540  0.7525 ?              ?         
1 1 1 12 4  5   o 44.330  0.8017 0.9684000E-01  1.603000  
1 1 1 12 4  6   o 19.080  0.6135 ?              ?         
1 1 1 12 4  7   o 8.8610  0.3762 -1.909000      0.7525000 
1 1 1 12 4  8   o 44.110  1.2350 ?              ?         
1 1 1 12 4  9   o 20.640  0.6412 ?              ?         
1 1 1 12 4  10  o 52.650  1.4650 ?              ?         
1 1 1 12 4  11  f 20.300  0.8669 ?              ?         
1 1 1 12 4  12  o 50.590  2.0010 ?              ?         
1 1 1 12 4  13  o 41.610  1.0020 -2.795000      2.005000  
1 1 1 12 4  14  o 26.620  0.6876 0.9356000      1.375000  
1 1 1 12 4  15  o 34.090  0.8399 -0.8362000     1.680000  
1 1 1 12 4  16  f 33.380  0.8443 3.355000       1.689000  
1 1 1 12 4  17  o 23.970  0.6580 3.842000       1.316000  
1 1 1 12 4  18  o 26.430  0.6777 -1.322000      1.355000  
1 1 1 12 4  19  o 13.390  0.4575 5.012000       0.9151000 
1 1 1 12 4  20  f 29.290  0.6742 -3.658000      1.348000  
1 1 1 12 4  21  o 31.400  0.7980 0.7693000      1.596000  
1 1 1 12 4  22  o 40.260  0.9112 -3.156000      1.822000  
1 1 1 12 4  23  o 28.900  0.7635 2.843000       1.527000  
1 1 1 12 4  24  o 44.520  1.0860 -1.747000      2.171000  
1 1 1 12 4  25  o 21.070  0.6527 4.512000       1.305000  
1 1 1 12 4  26  f 51.660  1.2270 -9.743000      2.453000  
1 1 1 12 4  27  o 45.910  1.1490 4.386000       2.299000  
1 1 1 12 4  28  o 22.460  0.7023 5.280000       1.405000  
1 1 1 12 4  29  o 19.500  0.6914 3.988000       1.383000  
1 1 1 12 4  30  o 50.880  1.2360 -3.984000      2.472000  
1 1 1 12 4  31  f 11.220  1.0740 8.091000       2.147000  
1 1 1 12 4  32  o 55.990  1.3570 -4.888000      2.713000  
1 1 1 12 4  33  o 26.870  0.8877 1.439000       1.775000  
1 1 1 12 4  34  o 50.100  1.4330 2.132000       2.865000  
1 1 1 12 4  35  o 19.920  0.8287 1.325000       1.657000  
1 1 1 12 4  36  o 33.530  1.0270 0.3556000      2.053000  
1 1 1 12 4  37  f 21.320  0.8888 4.488000       1.778000  
1 1 1 12 4  38  o 43.610  1.2760 -2.129000      2.553000  
1 1 1 12 4  39  o 58.350  1.6720 1.747000       3.345000  
1 1 1 12 4  40  f 27.540  0.9664 2.630000       1.933000  
1 1 1 12 4  41  o 17.340  1.0480 3.938000       2.095000  
1 1 1 12 4  42  o 37.970  1.1740 -0.8706000E-01 2.348000  
1 1 1 12 4  43  o 25.830  1.0020 1.802000       2.003000  
1 1 1 12 4  44  o 23.050  1.0150 -1.108000      2.029000  
1 1 1 12 4  45  o 13.370  1.3780 2.722000       2.757000  
1 1 1 12 4  46  o 18.820  1.1280 -0.8804000     2.257000  
1 1 1 12 4  47  o 17.660  1.2050 0.4638000      2.410000  
1 1 1 12 4  48  o 17.420  1.1940 -3.789000      2.388000  
1 1 1 12 4  49  o 42.700  1.9280 ?              ?         
1 1 1 12 4  50  o 40.290  1.7810 ?              ?         
1 1 1 12 4  51  f 20.360  1.5880 ?              ?         
1 1 1 12 4  52  o 24.170  1.5460 ?              ?         
1 1 1 12 4  53  o 16.480  1.9300 ?              ?         
1 1 1 12 4  54  o 36.340  1.7360 ?              ?         
1 1 1 12 4  55  o 21.610  1.7380 ?              ?         
1 1 1 12 4  56  o 25.780  1.7210 ?              ?         
1 1 1 12 4  57  o 10.600  3.0840 ?              ?         
1 1 1 12 4  58  o 23.250  1.9070 ?              ?         
1 1 1 12 4  59  f 8.0620  3.1680 ?              ?         
1 1 1 12 4  60  o 6.3780  2.8540 ?              ?         
1 1 1 12 4  61  o 6.8810  2.9770 ?              ?         
1 1 1 12 4  62  o 7.5220  3.2170 ?              ?         
1 1 1 12 4  63  o 9.8800  3.4610 ?              ?         
1 1 1 12 4  64  o 10.670  3.4890 ?              ?         
1 1 1 12 4  65  o 11.380  3.5930 ?              ?         
1 1 1 12 4  66  o 11.020  3.7670 ?              ?         
1 1 1 12 4  67  o 15.080  3.5230 ?              ?         
1 1 1 12 4  68  o 6.5090  3.0480 ?              ?         
1 1 1 12 4  69  o 7.4220  3.2940 ?              ?         
1 1 1 12 4  70  o 6.5690  3.0470 ?              ?         
1 1 1 12 4  71  o 12.460  3.6420 ?              ?         
1 1 1 12 4  72  o 7.8990  3.3600 ?              ?         
1 1 1 12 4  73  o 11.210  3.6960 ?              ?         
1 1 1 12 4  74  o 6.7770  3.0920 ?              ?         
1 1 1 12 4  75  o 6.5950  3.0650 ?              ?         
1 1 1 12 4  76  o 7.3540  3.3160 ?              ?         
1 1 1 12 4  77  o 6.5220  3.0660 ?              ?         
1 1 1 12 4  78  o 7.1940  3.2090 ?              ?         
1 1 1 12 4  79  o 5.3340  2.5890 ?              ?         
1 1 1 12 4  80  o 6.7300  3.0600 ?              ?         
1 1 1 12 4  81  o 5.8480  2.7820 ?              ?         
1 1 1 12 4  82  o 5.0040  2.4790 ?              ?         
1 1 1 12 4  83  o 5.1170  2.5410 ?              ?         
1 1 1 12 4  84  f 4.4590  2.2570 ?              ?         
1 1 1 12 4  85  f 5.4840  2.6670 ?              ?         
1 1 1 12 4  86  o 5.2410  2.5550 ?              ?         
1 1 1 12 4  87  f 5.0740  2.4900 ?              ?         
1 1 1 12 4  88  o 4.5990  2.2660 ?              ?         
1 1 1 12 4  89  o 5.1030  2.4270 ?              ?         
1 1 1 12 5  0   o 23.620  0.7122 0.000000       0.000000  
1 1 1 12 5  1   o 18.930  0.3975 -0.6531000E-01 0.7950000 
1 1 1 12 5  2   o 20.960  0.4607 -1.080000      0.9214000 
1 1 1 12 5  3   o 26.220  0.7744 ?              ?         
1 1 1 12 5  4   o 60.750  1.0840 4.630000       2.169000  
1 1 1 12 5  5   o 65.910  1.1830 0.3271000      2.367000  
1 1 1 12 5  7   o 13.840  0.3679 -1.231000      0.7358000 
1 1 1 12 5  8   f 43.310  0.7891 -1.374000      1.578000  
1 1 1 12 5  9   f 27.760  0.5315 -1.810000      1.063000  
1 1 1 12 5  10  o 31.270  0.5870 -1.215000      1.174000  
1 1 1 12 5  11  o 32.850  0.6702 0.9605000      1.340000  
1 1 1 12 5  13  o 33.500  0.9566 ?              ?         
1 1 1 12 5  14  o 29.010  0.7421 0.9107000      1.484000  
1 1 1 12 5  15  o 29.530  0.7433 0.8205000E-02  1.487000  
1 1 1 12 5  16  o 14.110  0.5063 11.37000       1.013000  
1 1 1 12 5  17  o 26.590  0.6217 -2.495000      1.243000  
1 1 1 12 5  18  o 40.450  0.9087 -3.946000      1.817000  
1 1 1 12 5  19  o 24.730  0.6176 1.662000       1.235000  
1 1 1 12 5  20  o 49.330  1.0920 -7.129000      2.184000  
1 1 1 12 5  21  o 48.760  1.1480 5.218000       2.295000  
1 1 1 12 5  22  o 45.220  1.0450 1.399000       2.090000  
1 1 1 12 5  23  o 21.870  0.5798 2.744000       1.160000  
1 1 1 12 5  24  o 53.640  1.2010 -5.299000      2.401000  
1 1 1 12 5  25  o 42.650  1.0770 5.038000       2.153000  
1 1 1 12 5  26  o 63.080  1.4960 -10.82000      2.991000  
1 1 1 12 5  27  o 68.280  1.9470 5.467000       3.893000  
1 1 1 12 5  28  o 49.010  1.2040 0.1056000      2.408000  
1 1 1 12 5  29  f 37.450  0.9698 4.232000       1.940000  
1 1 1 12 5  30  o 54.150  1.2970 -8.520000      2.595000  
1 1 1 12 5  31  o 48.920  1.2230 3.224000       2.446000  
1 1 1 12 5  32  o 13.860  0.8556 7.052000       1.711000  
1 1 1 12 5  33  o 7.0030  1.2540 -3.976000      2.507000  
1 1 1 12 5  34  o 48.120  1.1840 -3.509000      2.369000  
1 1 1 12 5  35  o 20.570  0.7743 6.234000       1.549000  
1 1 1 12 5  36  o 29.370  0.8310 -0.3765000     1.662000  
1 1 1 12 5  37  o 39.930  1.0290 -0.5415000     2.057000  
1 1 1 12 5  38  o 30.490  0.8715 0.6435000      1.743000  
1 1 1 12 5  39  o 42.200  1.1030 3.383000       2.206000  
1 1 1 12 5  40  o 33.410  0.9130 -3.135000      1.826000  
1 1 1 12 5  41  o 38.980  1.0430 2.018000       2.086000  
1 1 1 12 5  42  o 15.830  0.9541 -0.6657000     1.908000  
1 1 1 12 5  43  o 43.210  1.1330 0.9593000      2.266000  
1 1 1 12 5  44  o 11.070  1.4250 5.744000       2.850000  
1 1 1 12 5  45  o 45.280  1.1860 0.6600000      2.372000  
1 1 1 12 5  46  o 26.770  0.9442 3.423000       1.888000  
1 1 1 12 5  47  o 16.290  1.1010 3.129000       2.202000  
1 1 1 12 5  48  o 29.850  0.9664 -0.4763000     1.933000  
1 1 1 12 5  49  o 17.060  1.1350 -3.155000      2.269000  
1 1 1 12 5  50  o 6.5170  1.7660 -2.860000      3.532000  
1 1 1 12 5  51  o 19.410  1.0920 -2.074000      2.184000  
1 1 1 12 5  52  o 16.750  1.2170 -1.542000      2.434000  
1 1 1 12 5  53  o 20.060  1.1010 0.8822000      2.203000  
1 1 1 12 5  54  o 8.0560  2.0190 -2.172000      4.037000  
1 1 1 12 5  55  o 32.280  1.1180 -0.5352000     2.237000  
1 1 1 12 5  56  o 17.800  1.9420 1.979000       3.885000  
1 1 1 12 5  57  o 9.3490  2.0830 6.117000       4.166000  
1 1 1 12 5  58  o 8.6750  2.3780 -0.7078000     4.757000  
1 1 1 12 5  59  o 18.180  1.9060 -5.370000      3.812000  
1 1 1 12 5  60  f 8.6500  2.4700 -1.167000      4.939000  
1 1 1 12 5  61  f 11.840  2.4860 3.996000       4.972000  
1 1 1 12 5  62  o 14.270  2.4990 -1.598000      4.998000  
1 1 1 12 5  63  o 7.4920  2.3490 -0.6120000     4.698000  
1 1 1 12 5  64  o 12.750  2.6650 2.238000       5.331000  
1 1 1 12 5  65  o 10.090  2.6930 1.107000       5.387000  
1 1 1 12 5  66  o 7.3750  2.3430 0.4267000      4.687000  
1 1 1 12 5  67  o 8.1500  2.4970 -1.565000      4.994000  
1 1 1 12 5  68  o 8.8380  2.6070 -1.127000      5.214000  
1 1 1 12 5  69  f 6.7880  2.2190 0.7657000      4.438000  
1 1 1 12 5  70  o 8.7910  2.5880 -2.216000      5.175000  
1 1 1 12 5  71  o 7.1500  2.3090 -1.783000      4.618000  
1 1 1 12 5  72  o 7.7380  2.4060 -4.237000      4.811000  
1 1 1 12 5  73  o 6.3560  2.1290 -0.3422000     4.258000  
1 1 1 12 5  74  o 7.2460  2.2910 1.686000       4.582000  
1 1 1 12 5  75  o 6.8540  2.2630 -3.096000      4.527000  
1 1 1 12 5  76  o 7.6210  2.4030 0.4120000      4.805000  
1 1 1 12 5  77  o 6.2150  2.0980 -0.6063000E-01 4.195000  
1 1 1 12 5  78  o 5.4120  1.8650 0.6195000      3.730000  
1 1 1 12 5  79  o 6.5830  2.1720 -1.826000      4.344000  
1 1 1 12 5  80  o 6.2350  2.0970 -1.067000      4.194000  
1 1 1 12 5  81  o 6.6700  2.1870 -2.750000      4.375000  
1 1 1 12 5  82  o 5.0270  1.7630 -0.1557000     3.527000  
1 1 1 12 5  83  o 6.0400  2.0250 -1.211000      4.050000  
1 1 1 12 5  84  o 4.9690  1.7420 0.3963000      3.483000  
1 1 1 12 5  85  o 5.1790  1.7860 -0.8293000     3.572000  
1 1 1 12 5  86  o 5.2270  1.8060 0.9124000E-01  3.612000  
1 1 1 12 5  87  o 4.3850  1.5470 -0.9595000E-01 3.094000  
1 1 1 12 5  88  o 4.5610  1.5560 -0.6396000     3.113000  
1 1 1 12 5  89  o 4.1140  2.0480 ?              ?         
1 1 1 12 6  0   f 9.4310  0.5868 0.000000       0.000000  
1 1 1 12 6  1   o 18.930  0.3221 1.255000       0.6442000 
1 1 1 12 6  2   o 22.800  0.3831 -0.6139000     0.7663000 
1 1 1 12 6  3   o 16.930  0.3309 0.3965000      0.6618000 
1 1 1 12 6  4   o 20.480  0.3730 0.4132000      0.7460000 
1 1 1 12 6  5   o 26.230  0.4471 -1.304000      0.8942000 
1 1 1 12 6  6   o 52.170  0.8404 1.271000       1.681000  
1 1 1 12 6  7   o 25.140  0.4910 5.066000       0.9819000 
1 1 1 12 6  8   o 51.570  0.9348 -2.377000      1.870000  
1 1 1 12 6  9   o 47.830  0.7726 1.529000       1.545000  
1 1 1 12 6  10  o 37.710  0.6929 1.010000       1.386000  
1 1 1 12 6  11  o 39.860  0.6502 0.4436000      1.300000  
1 1 1 12 6  12  o 68.920  1.1100 1.150000       2.220000  
1 1 1 12 6  13  o 27.290  0.8276 ?              ?         
1 1 1 12 6  14  o 32.250  0.6010 -1.367000      1.202000  
1 1 1 12 6  15  o 19.020  0.4182 2.580000       0.8365000 
1 1 1 12 6  16  o 22.400  0.4835 0.2551000      0.9670000 
1 1 1 12 6  17  o 31.500  0.7313 -1.276000      1.463000  
1 1 1 12 6  18  o 50.490  1.1360 -3.264000      2.272000  
1 1 1 12 6  19  o 38.010  0.9356 1.848000       1.871000  
1 1 1 12 6  20  o 53.330  1.1960 -4.220000      2.391000  
1 1 1 12 6  21  o 30.950  1.2530 ?              ?         
1 1 1 12 6  22  o 32.320  0.7434 -4.048000      1.487000  
1 1 1 12 6  23  o 33.380  0.7855 -0.3867000     1.571000  
1 1 1 12 6  24  o 64.980  1.4500 -6.762000      2.901000  
1 1 1 12 6  25  o 43.190  1.0640 10.14000       2.129000  
1 1 1 12 6  26  o 42.310  0.9607 -3.426000      1.921000  
1 1 1 12 6  27  o 29.960  0.7427 2.917000       1.485000  
1 1 1 12 6  28  o 30.890  0.7473 -0.1378000     1.495000  
1 1 1 12 6  29  o 40.160  0.9978 -2.605000      1.996000  
1 1 1 12 6  30  o 21.300  0.7287 6.453000       1.457000  
1 1 1 12 6  31  o 15.950  0.6936 -1.040000      1.387000  
1 1 1 12 6  32  o 19.920  0.6861 -3.273000      1.372000  
1 1 1 12 6  33  o 42.860  1.0640 -3.612000      2.128000  
1 1 1 12 6  34  o 39.140  0.9970 -1.582000      1.994000  
1 1 1 12 6  35  o 55.510  1.3520 -5.434000      2.704000  
1 1 1 12 6  36  o 18.650  0.8929 10.51000       1.786000  
1 1 1 12 6  37  o 32.720  0.8785 -5.195000      1.757000  
1 1 1 12 6  38  o 29.220  0.8665 3.370000       1.733000  
1 1 1 12 6  39  f 22.240  0.7885 -1.873000      1.577000  
1 1 1 12 6  40  o 25.160  0.8192 1.526000       1.638000  
1 1 1 12 6  41  o 8.9300  1.4050 4.582000       2.811000  
1 1 1 12 6  42  o 18.320  0.9099 2.623000       1.820000  
1 1 1 12 6  43  o 21.730  0.8932 2.599000       1.786000  
1 1 1 12 6  44  o 43.160  1.1310 -0.2232000     2.263000  
1 1 1 12 6  45  f 25.970  0.9183 3.934000       1.837000  
1 1 1 12 6  46  o 7.1790  1.7210 0.8468000      3.443000  
1 1 1 12 6  47  o 5.6660  1.6220 1.365000       3.245000  
1 1 1 12 6  48  o 22.490  0.9689 -0.7338000     1.938000  
1 1 1 12 6  49  o 20.900  1.0020 0.1473000      2.005000  
1 1 1 12 6  50  o 32.360  1.0040 -0.2418000     2.007000  
1 1 1 12 6  51  o 23.080  1.0250 3.033000       2.050000  
1 1 1 12 6  52  o 11.660  1.7610 2.563000       3.522000  
1 1 1 12 6  53  f 20.690  1.1600 1.714000       2.321000  
1 1 1 12 6  54  o 10.510  1.9490 -0.8833000     3.899000  
1 1 1 12 6  55  o 8.8320  2.0130 -1.019000      4.027000  
1 1 1 12 6  56  o 12.080  1.9200 4.770000       3.839000  
1 1 1 12 6  57  o 10.850  2.1040 -0.3597000     4.208000  
1 1 1 12 6  58  o 20.650  1.3790 -1.094000      2.759000  
1 1 1 12 6  59  o 18.850  1.5260 3.274000       3.051000  
1 1 1 12 6  60  o 20.830  1.9820 ?              ?         
1 1 1 12 6  61  o 6.6200  2.0240 3.274000       4.048000  
1 1 1 12 6  62  o 9.1360  2.4880 -5.106000      4.976000  
1 1 1 12 6  63  o 10.970  2.5380 4.333000       5.077000  
1 1 1 12 6  64  o 10.790  2.6540 3.123000       5.308000  
1 1 1 12 6  65  o 8.0500  2.4540 1.745000       4.908000  
1 1 1 12 6  66  o 7.5200  2.3900 -0.9277000     4.781000  
1 1 1 12 6  67  o 9.0680  2.5650 -0.1992000     5.130000  
1 1 1 12 6  68  o 15.330  2.6540 1.432000       5.307000  
1 1 1 12 6  69  o 7.1370  2.2950 0.7191000      4.590000  
1 1 1 12 6  70  o 6.6190  2.1800 -0.9580000     4.360000  
1 1 1 12 6  71  f 6.6510  2.1960 -1.170000      4.392000  
1 1 1 12 6  72  o 7.0240  2.2450 0.4268000      4.490000  
1 1 1 12 6  73  o 6.7360  2.2110 0.2416000      4.422000  
1 1 1 12 6  74  o 6.6290  2.2070 -1.086000      4.414000  
1 1 1 12 6  75  o 10.850  2.7500 -5.117000      5.501000  
1 1 1 12 6  76  o 6.5090  2.1580 0.3146000      4.317000  
1 1 1 12 6  77  o 6.5770  2.1450 1.388000       4.291000  
1 1 1 12 6  78  o 5.7150  1.9640 -1.969000      3.928000  
1 1 1 12 6  79  o 5.8310  1.9880 -0.4312000     3.976000  
1 1 1 12 6  80  o 5.5590  1.9250 -0.8459000     3.849000  
1 1 1 12 6  81  o 5.2720  1.8290 -0.4119000     3.658000  
1 1 1 12 6  82  o 5.3840  1.8510 -1.757000      3.701000  
1 1 1 12 6  83  o 5.2740  1.8300 -0.6433000     3.661000  
1 1 1 12 6  84  o 4.3600  1.5490 -0.7351000     3.099000  
1 1 1 12 6  85  o 4.9450  1.7280 0.2076000      3.455000  
1 1 1 12 6  86  o 4.3700  1.5560 0.6812000      3.111000  
1 1 1 12 6  87  o 4.8420  1.6290 0.1931000E-01  3.258000  
1 1 1 12 6  88  o 4.5660  2.2270 ?              ?         
1 1 1 12 7  0   o 43.890  0.8748 -0.000000      0.000000  
1 1 1 12 7  1   o 19.750  0.3858 0.5556000      0.7716000 
1 1 1 12 7  2   o 44.870  0.6303 0.3914000      1.261000  
1 1 1 12 7  3   f 24.550  0.4633 0.2285000      0.9265000 
1 1 1 12 7  4   o 32.260  0.5012 -0.3908000     1.002000  
1 1 1 12 7  5   f 28.290  0.4521 -0.8191000     0.9042000 
1 1 1 12 7  6   o 21.160  0.4026 0.2734000      0.8051000 
1 1 1 12 7  7   o 62.930  1.2360 ?              ?         
1 1 1 12 7  8   o 45.020  0.6841 -0.4879000     1.368000  
1 1 1 12 7  9   o 20.210  0.4839 2.521000       0.9677000 
1 1 1 12 7  10  f 9.3130  0.3772 -1.170000      0.7544000 
1 1 1 12 7  11  o 9.0020  0.4063 0.6129000      0.8125000 
1 1 1 12 7  12  o 21.370  0.4373 -1.613000      0.8745000 
1 1 1 12 7  13  o 30.150  0.4792 -0.5223000     0.9584000 
1 1 1 12 7  14  o 29.740  0.5038 -0.4326000     1.008000  
1 1 1 12 7  15  o 16.630  0.4447 2.381000       0.8894000 
1 1 1 12 7  16  o 41.460  0.7613 1.584000       1.523000  
1 1 1 12 7  17  o 34.820  0.8243 ?              ?         
1 1 1 12 7  18  f 53.140  0.9623 0.5236000      1.925000  
1 1 1 12 7  19  o 41.850  0.9765 ?              ?         
1 1 1 12 7  20  o 38.190  0.8756 -1.826000      1.751000  
1 1 1 12 7  21  f 27.240  0.6634 0.8730000E-01  1.327000  
1 1 1 12 7  22  o 38.560  0.8887 -1.346000      1.777000  
1 1 1 12 7  23  o 18.970  0.5578 4.526000       1.116000  
1 1 1 12 7  24  o 30.590  0.7298 -1.073000      1.460000  
1 1 1 12 7  25  o 53.360  1.1920 -7.039000      2.384000  
1 1 1 12 7  26  o 19.350  0.7204 19.24000       1.441000  
1 1 1 12 7  27  f 31.360  0.7483 -2.132000      1.497000  
1 1 1 12 7  28  o 28.440  0.7088 0.9203000      1.418000  
1 1 1 12 7  29  o 28.060  0.6902 -2.132000      1.380000  
1 1 1 12 7  30  o 25.070  0.6520 -0.7190000     1.304000  
1 1 1 12 7  31  o 30.670  0.7703 2.424000       1.541000  
1 1 1 12 7  32  o 29.210  0.8111 0.2329000      1.622000  
1 1 1 12 7  33  o 26.770  0.7896 0.6304000      1.579000  
1 1 1 12 7  34  o 69.490  1.6770 -9.709000      3.354000  
1 1 1 12 7  35  o 45.140  1.2050 13.07000       2.411000  
1 1 1 12 7  36  o 11.260  1.1560 5.226000       2.312000  
1 1 1 12 7  37  o 30.730  0.8507 -2.361000      1.701000  
1 1 1 12 7  38  o 32.730  0.9032 0.2541000      1.806000  
1 1 1 12 7  39  o 27.390  0.8433 0.6677000      1.687000  
1 1 1 12 7  40  o 35.710  0.9658 -1.023000      1.932000  
1 1 1 12 7  41  o 26.270  0.8575 4.133000       1.715000  
1 1 1 12 7  42  o 12.270  1.1260 -0.3572000     2.252000  
1 1 1 12 7  43  o 21.830  0.8557 0.2062000      1.711000  
1 1 1 12 7  44  o 24.020  0.8730 -4.012000      1.746000  
1 1 1 12 7  45  o 33.200  0.9771 0.6130000      1.954000  
1 1 1 12 7  46  o 23.810  0.9238 1.617000       1.848000  
1 1 1 12 7  47  o 14.730  1.2100 -3.483000      2.421000  
1 1 1 12 7  48  o 18.980  1.0700 3.482000       2.139000  
1 1 1 12 7  49  o 20.750  1.0050 -1.193000      2.010000  
1 1 1 12 7  50  o 10.790  1.7240 -0.5395000E-01 3.447000  
1 1 1 12 7  51  o 34.970  1.0560 -0.1185000     2.112000  
1 1 1 12 7  52  o 22.130  1.0820 2.286000       2.164000  
1 1 1 12 7  53  o 26.980  1.0400 1.590000       2.079000  
1 1 1 12 7  54  f 16.350  1.3740 -3.784000      2.748000  
1 1 1 12 7  55  o 24.660  1.1330 0.1387000      2.266000  
1 1 1 12 7  56  o 7.4320  2.0370 -1.810000      4.073000  
1 1 1 12 7  57  o 14.030  1.7920 -4.238000      3.584000  
1 1 1 12 7  58  o 8.8900  2.0800 3.957000       4.161000  
1 1 1 12 7  59  o 6.1770  1.9650 -0.4288000     3.930000  
1 1 1 12 7  60  o 7.1150  2.1380 0.9553000      4.276000  
1 1 1 12 7  61  o 7.9520  2.2930 1.163000       4.586000  
1 1 1 12 7  62  o 7.3810  2.2450 0.3203000      4.491000  
1 1 1 12 7  63  o 7.2280  2.2220 3.495000       4.443000  
1 1 1 12 7  64  o 13.160  2.3410 0.9397000      4.682000  
1 1 1 12 7  65  o 6.0490  1.9880 -0.8436000     3.976000  
1 1 1 12 7  66  f 9.9110  3.4510 ?              ?         
1 1 1 12 7  67  o 9.1750  2.6060 -0.4368000     5.211000  
1 1 1 12 7  68  o 7.6170  2.4010 -3.167000      4.802000  
1 1 1 12 7  69  o 6.3940  2.1470 -0.9467000     4.294000  
1 1 1 12 7  70  o 7.2860  2.3320 -1.240000      4.663000  
1 1 1 12 7  71  o 6.3250  2.1190 -1.782000      4.238000  
1 1 1 12 7  72  o 10.570  2.6690 -3.826000      5.338000  
1 1 1 12 7  73  o 7.2740  2.2600 1.150000       4.519000  
1 1 1 12 7  74  o 6.7630  2.2150 -2.946000      4.430000  
1 1 1 12 7  75  o 6.5660  2.1640 -2.573000      4.328000  
1 1 1 12 7  76  o 5.7400  1.9480 0.2366000      3.895000  
1 1 1 12 7  77  o 6.2750  2.0630 -0.6815000     4.126000  
1 1 1 12 7  78  o 6.5130  2.1090 -0.8241000     4.218000  
1 1 1 12 7  79  o 4.8880  1.7090 -0.8753000E-01 3.418000  
1 1 1 12 7  80  o 4.7660  1.6840 0.2820000      3.368000  
1 1 1 12 7  81  o 5.7610  1.9660 -1.536000      3.932000  
1 1 1 12 7  82  o 5.4430  1.8770 -0.1280000     3.755000  
1 1 1 12 7  83  o 5.5090  1.8790 -0.3785000     3.758000  
1 1 1 12 7  84  o 5.5570  1.8890 -0.3800000     3.779000  
1 1 1 12 7  85  o 4.5760  1.6140 -0.7851000     3.228000  
1 1 1 12 7  86  o 4.0740  1.4370 -0.2138000     2.874000  
1 1 1 12 7  87  o 4.4560  1.5140 0.2763000      3.029000  
1 1 1 12 8  0   o 12.660  0.6590 0.000000       0.000000  
1 1 1 12 8  1   o 33.200  0.4766 0.3167000      0.9532000 
1 1 1 12 8  2   o 33.000  0.4752 -0.6859000     0.9505000 
1 1 1 12 8  3   o 24.190  0.3763 -0.4528000     0.7525000 
1 1 1 12 8  4   o 13.180  0.3728 -3.643000      0.7457000 
1 1 1 12 8  5   f 80.630  1.2160 -4.794000      2.432000  
1 1 1 12 8  6   o 34.040  0.7051 -0.1718000     1.410000  
1 1 1 12 8  7   o 47.140  0.7622 -0.9986000     1.524000  
1 1 1 12 8  8   o 75.930  1.3000 -2.110000      2.600000  
1 1 1 12 8  9   o 34.140  0.6385 3.155000       1.277000  
1 1 1 12 8  10  f 66.470  1.1470 -4.126000      2.294000  
1 1 1 12 8  11  o 33.590  0.6291 2.666000       1.258000  
1 1 1 12 8  12  o 41.390  0.6315 0.4226000      1.263000  
1 1 1 12 8  13  o 44.420  0.6739 2.542000       1.348000  
1 1 1 12 8  14  f 42.480  0.6481 1.304000       1.296000  
1 1 1 12 8  15  o 10.780  0.5970 ?              ?         
1 1 1 12 8  16  o 47.840  0.9600 8.216000       1.920000  
1 1 1 12 8  17  o 72.300  1.1620 -1.252000      2.325000  
1 1 1 12 8  18  o 38.210  1.0830 ?              ?         
1 1 1 12 8  19  o 33.630  0.5792 0.2949000      1.158000  
1 1 1 12 8  20  o 46.320  0.7612 0.1996000      1.522000  
1 1 1 12 8  21  o 22.670  0.5887 -1.036000      1.177000  
1 1 1 12 8  22  o 15.870  0.4345 0.1765000      0.8691000 
1 1 1 12 8  23  o 10.430  0.5732 1.143000       1.146000  
1 1 1 12 8  24  o 6.5610  0.8726 -3.439000      1.745000  
1 1 1 12 8  25  o 6.3420  0.8970 -0.3532000     1.794000  
1 1 1 12 8  26  o 18.220  0.5531 -0.6344000     1.106000  
1 1 1 12 8  27  o 27.680  0.6835 -2.449000      1.367000  
1 1 1 12 8  28  o 11.360  0.6269 4.260000       1.254000  
1 1 1 12 8  29  o 22.830  0.6309 0.7941000      1.262000  
1 1 1 12 8  30  o 35.530  0.8136 -7.470000      1.627000  
1 1 1 12 8  31  o 59.830  1.3610 -3.205000      2.722000  
1 1 1 12 8  32  o 24.080  0.7632 11.32000       1.526000  
1 1 1 12 8  33  o 13.740  0.6814 3.367000       1.363000  
1 1 1 12 8  34  o 24.020  0.7120 -2.087000      1.424000  
1 1 1 12 8  35  o 23.120  0.6635 -0.9371000     1.327000  
1 1 1 12 8  36  o 19.580  0.7669 0.1871000      1.534000  
1 1 1 12 8  37  o 39.930  1.0290 -2.363000      2.057000  
1 1 1 12 8  38  o 48.220  1.2270 0.6915000      2.453000  
1 1 1 12 8  39  o 22.690  0.8609 6.102000       1.722000  
1 1 1 12 8  40  o 16.030  0.9349 1.631000       1.870000  
1 1 1 12 8  41  o 17.540  0.9006 -1.033000      1.801000  
1 1 1 12 8  42  o 18.350  0.9118 0.6708000      1.824000  
1 1 1 12 8  43  o 34.310  0.9582 -4.234000      1.916000  
1 1 1 12 8  44  o 29.200  0.9379 4.526000       1.876000  
1 1 1 12 8  45  o 14.440  1.1570 -0.7467000     2.314000  
1 1 1 12 8  46  o 21.390  0.9395 -2.863000      1.879000  
1 1 1 12 8  47  o 18.440  1.0440 2.814000       2.087000  
1 1 1 12 8  48  o 13.220  1.3640 -0.1990000     2.728000  
1 1 1 12 8  49  o 10.310  1.7010 2.505000       3.402000  
1 1 1 12 8  50  o 7.3110  1.8490 1.395000       3.698000  
1 1 1 12 8  51  o 12.300  1.5400 -0.1284000     3.079000  
1 1 1 12 8  52  o 11.710  1.6970 6.151000       3.394000  
1 1 1 12 8  53  o 10.450  1.8660 0.7680000      3.731000  
1 1 1 12 8  54  o 35.380  1.1010 -2.076000      2.202000  
1 1 1 12 8  55  o 32.140  1.1070 0.7382000      2.214000  
1 1 1 12 8  56  o 16.350  1.4670 1.532000       2.935000  
1 1 1 12 8  57  o 7.0680  2.0240 -1.405000      4.048000  
1 1 1 12 8  58  f 9.3930  2.1940 -1.148000      4.389000  
1 1 1 12 8  59  o 22.510  1.3990 2.432000       2.797000  
1 1 1 12 8  60  o 16.280  1.9270 -5.985000      3.854000  
1 1 1 12 8  61  o 13.350  2.2880 -1.627000      4.575000  
1 1 1 12 8  62  o 6.9020  2.1480 -0.6733000E-01 4.296000  
1 1 1 12 8  63  o 8.6140  2.3020 3.566000       4.603000  
1 1 1 12 8  64  o 12.820  2.2840 -3.908000      4.569000  
1 1 1 12 8  65  o 7.7420  2.2030 3.967000       4.407000  
1 1 1 12 8  66  o 8.1000  2.3070 -1.077000      4.614000  
1 1 1 12 8  67  o 10.650  2.4090 -0.8484000     4.818000  
1 1 1 12 8  68  o 7.1490  2.1640 -0.2355000     4.329000  
1 1 1 12 8  69  o 8.8270  2.3030 -1.465000      4.606000  
1 1 1 12 8  70  o 11.200  2.2990 -1.037000      4.599000  
1 1 1 12 8  71  o 8.7900  2.2970 -1.268000      4.594000  
1 1 1 12 8  72  o 8.4790  3.7640 ?              ?         
1 1 1 12 8  73  o 7.1410  3.3750 ?              ?         
1 1 1 12 8  74  o 6.5180  2.1620 -1.401000      4.324000  
1 1 1 12 8  75  o 7.0070  2.2260 0.3213000      4.452000  
1 1 1 12 8  76  o 6.7510  2.1810 -1.346000      4.363000  
1 1 1 12 8  77  o 6.0500  2.0220 -1.204000      4.045000  
1 1 1 12 8  78  o 5.4900  1.8810 -0.6372000     3.763000  
1 1 1 12 8  79  o 5.8520  1.9630 0.9413000      3.926000  
1 1 1 12 8  80  o 5.4870  1.8990 -0.4171000     3.798000  
1 1 1 12 8  81  o 5.1610  1.8160 -1.640000      3.632000  
1 1 1 12 8  82  o 5.5000  1.8840 0.5296000E-01  3.768000  
1 1 1 12 8  83  o 5.1290  1.7700 0.2401000E-01  3.541000  
1 1 1 12 8  84  o 4.1900  1.4990 0.4162000      2.998000  
1 1 1 12 8  85  o 4.0580  1.4390 0.2717000      2.879000  
1 1 1 12 8  86  o 4.3140  1.4820 0.2240000      2.964000  
1 1 1 12 9  0   f 33.690  0.8010 -0.000000      0.000000  
1 1 1 12 9  1   o 49.660  0.6929 -0.1586000E-01 1.386000  
1 1 1 12 9  2   o 40.530  0.5741 -0.2092000     1.148000  
1 1 1 12 9  3   o 32.880  0.4765 0.5669000      0.9530000 
1 1 1 12 9  4   o 38.750  0.5492 0.4131000      1.098000  
1 1 1 12 9  5   o 27.110  0.5371 -0.3542000     1.074000  
1 1 1 12 9  6   o 51.370  0.7175 0.7330000      1.435000  
1 1 1 12 9  7   o 43.210  0.6128 -1.026000      1.226000  
1 1 1 12 9  8   o 13.560  0.5168 6.693000       1.034000  
1 1 1 12 9  9   o 60.060  0.9062 0.5304000      1.812000  
1 1 1 12 9  10  f 41.600  0.6382 2.332000       1.276000  
1 1 1 12 9  11  o 54.330  0.8194 0.2325000      1.639000  
1 1 1 12 9  12  o 49.370  0.7473 0.8720000      1.495000  
1 1 1 12 9  13  o 36.740  0.6455 2.626000       1.291000  
1 1 1 12 9  14  o 31.420  0.5066 -0.1973000     1.013000  
1 1 1 12 9  15  o 10.610  0.4943 -0.1268000     0.9887000 
1 1 1 12 9  16  o 27.730  0.4932 2.474000       0.9864000 
1 1 1 12 9  17  o 29.050  0.4837 -2.007000      0.9675000 
1 1 1 12 9  18  o 35.430  0.6882 3.296000       1.376000  
1 1 1 12 9  19  o 38.880  0.6507 -1.648000      1.301000  
1 1 1 12 9  20  o 7.6980  1.4830 ?              ?         
1 1 1 12 9  21  o 7.9970  0.5790 0.4769000      1.158000  
1 1 1 12 9  22  o 46.450  0.7670 0.5711000      1.534000  
1 1 1 12 9  23  o 16.310  0.5988 -3.974000      1.198000  
1 1 1 12 9  24  f 17.570  0.4415 -0.5183000     0.8830000 
1 1 1 12 9  25  f 14.300  0.4677 1.364000       0.9355000 
1 1 1 12 9  26  f 40.580  0.9679 ?              ?         
1 1 1 12 9  27  o 21.040  0.6388 -0.4743000E-01 1.278000  
1 1 1 12 9  28  o 19.400  0.5379 -0.5181000     1.076000  
1 1 1 12 9  29  f 16.030  0.6039 -1.890000      1.208000  
1 1 1 12 9  30  f 36.630  0.8542 -4.187000      1.708000  
1 1 1 12 9  31  o 41.330  0.9709 -1.060000      1.942000  
1 1 1 12 9  32  o 23.440  0.6643 2.219000       1.329000  
1 1 1 12 9  33  o 28.980  0.7265 -3.872000      1.453000  
1 1 1 12 9  34  o 33.310  0.8387 2.715000       1.677000  
1 1 1 12 9  35  o 11.290  0.8859 7.037000       1.772000  
1 1 1 12 9  36  o 15.520  0.6877 -1.794000      1.375000  
1 1 1 12 9  37  o 31.180  0.7975 -0.1944000     1.595000  
1 1 1 12 9  38  o 16.370  0.7076 -0.8957000     1.415000  
1 1 1 12 9  39  o 35.300  0.9636 0.3498000      1.927000  
1 1 1 12 9  40  o 15.220  1.1520 8.538000       2.304000  
1 1 1 12 9  41  o 31.840  0.9109 -1.530000      1.822000  
1 1 1 12 9  42  o 33.630  0.9531 -0.6497000E-01 1.906000  
1 1 1 12 9  43  o 15.740  1.1100 5.104000       2.220000  
1 1 1 12 9  44  o 27.560  0.9150 -0.8311000     1.830000  
1 1 1 12 9  45  o 17.870  1.0900 4.739000       2.181000  
1 1 1 12 9  46  f 10.410  1.6240 0.8878000      3.249000  
1 1 1 12 9  47  o 15.700  1.1810 1.292000       2.362000  
1 1 1 12 9  48  o 20.130  1.0660 1.133000       2.132000  
1 1 1 12 9  49  o 22.620  1.0580 4.512000       2.117000  
1 1 1 12 9  50  o 44.200  1.2010 -3.218000      2.402000  
1 1 1 12 9  51  o 55.840  1.4860 1.473000       2.972000  
1 1 1 12 9  52  o 23.050  1.1930 9.414000       2.386000  
1 1 1 12 9  53  o 8.1510  1.8590 -5.146000      3.718000  
1 1 1 12 9  54  o 13.830  1.6760 0.4971000      3.352000  
1 1 1 12 9  55  o 5.7180  1.7870 -2.227000      3.575000  
1 1 1 12 9  56  o 8.7070  2.1230 0.6144000      4.245000  
1 1 1 12 9  57  o 13.620  1.9090 -4.308000      3.817000  
1 1 1 12 9  58  o 5.9300  1.9180 -0.1207000E-01 3.835000  
1 1 1 12 9  59  o 6.3880  1.9900 -1.201000      3.980000  
1 1 1 12 9  60  o 16.840  1.6620 1.093000       3.323000  
1 1 1 12 9  61  o 8.2000  2.1650 -2.365000      4.330000  
1 1 1 12 9  62  o 10.590  2.3000 1.276000       4.599000  
1 1 1 12 9  63  o 7.4310  2.1540 -2.968000      4.308000  
1 1 1 12 9  64  o 8.6220  2.1830 -4.791000      4.365000  
1 1 1 12 9  65  o 8.0580  2.2550 -1.406000      4.511000  
1 1 1 12 9  66  o 5.4560  1.8380 -1.351000      3.677000  
1 1 1 12 9  67  o 9.0240  2.2500 -4.049000      4.501000  
1 1 1 12 9  68  o 5.4110  1.8210 0.2433000      3.641000  
1 1 1 12 9  69  o 7.7080  2.2080 0.6021000      4.417000  
1 1 1 12 9  70  o 8.4100  2.2880 0.6212000      4.576000  
1 1 1 12 9  71  o 6.2570  2.0150 -1.159000      4.030000  
1 1 1 12 9  72  o 6.6900  2.0840 -0.4063000     4.168000  
1 1 1 12 9  73  o 5.8630  1.9230 0.8232000      3.845000  
1 1 1 12 9  74  f 7.1170  2.0990 2.947000       4.198000  
1 1 1 12 9  75  o 6.1540  1.9440 -2.515000      3.889000  
1 1 1 12 9  76  o 5.0860  1.7720 -0.5215000     3.544000  
1 1 1 12 9  77  o 5.9980  2.0150 -1.501000      4.031000  
1 1 1 12 9  78  o 4.8330  1.7020 -0.9781000     3.404000  
1 1 1 12 9  79  o 5.7470  2.8480 ?              ?         
1 1 1 12 9  80  o 6.5130  3.1210 ?              ?         
1 1 1 12 9  81  f 5.9330  1.9290 1.460000       3.858000  
1 1 1 12 9  82  o 4.7930  1.6710 -0.3780000     3.343000  
1 1 1 12 9  83  o 4.8700  1.6820 0.8410000      3.364000  
1 1 1 12 9  84  o 4.7070  1.6310 -1.435000      3.262000  
1 1 1 12 9  85  o 4.7890  1.6010 -1.285000      3.203000  
1 1 1 12 10 0   o 36.670  0.7411 0.000000       0.000000  
1 1 1 12 10 1   o 27.070  0.4761 2.658000       0.9523000 
1 1 1 12 10 2   o 27.270  0.4124 0.2393000      0.8248000 
1 1 1 12 10 3   o 30.090  0.5139 -2.905000      1.028000  
1 1 1 12 10 4   o 46.170  0.6485 0.3157000      1.297000  
1 1 1 12 10 5   o 23.790  0.5348 3.956000       1.070000  
1 1 1 12 10 6   o 64.690  0.9746 -2.541000      1.949000  
1 1 1 12 10 7   o 49.440  0.7994 4.568000       1.599000  
1 1 1 12 10 8   o 71.880  1.0810 -0.2206000     2.161000  
1 1 1 12 10 9   o 50.050  0.8653 -0.5945000     1.731000  
1 1 1 12 10 10  o 56.460  0.8505 2.604000       1.701000  
1 1 1 12 10 11  o 43.090  0.7960 -0.8196000     1.592000  
1 1 1 12 10 12  o 24.090  0.5101 -0.5063000     1.020000  
1 1 1 12 10 13  o 24.660  0.4265 1.541000       0.8531000 
1 1 1 12 10 14  o 33.210  0.5258 0.3996000      1.052000  
1 1 1 12 10 15  o 41.460  0.6381 2.769000       1.276000  
1 1 1 12 10 16  o 23.230  0.5277 -6.546000      1.055000  
1 1 1 12 10 17  o 31.920  0.5132 1.873000       1.026000  
1 1 1 12 10 18  f 37.760  0.5908 -0.9096000     1.182000  
1 1 1 12 10 19  o 7.8540  0.7751 -6.624000      1.550000  
1 1 1 12 10 20  o 23.760  0.5451 1.602000       1.090000  
1 1 1 12 10 21  o 12.330  0.4699 -1.623000      0.9398000 
1 1 1 12 10 22  o 15.820  0.4392 0.2179000E-01  0.8784000 
1 1 1 12 10 23  o 29.040  0.5280 -1.322000      1.056000  
1 1 1 12 10 24  o 5.8170  1.7710 ?              ?         
1 1 1 12 10 25  o 17.290  0.5462 2.384000       1.092000  
1 1 1 12 10 26  o 21.600  0.4751 -0.9013000     0.9502000 
1 1 1 12 10 27  o 20.100  0.4675 -0.9181000     0.9350000 
1 1 1 12 10 28  o 38.480  0.6619 -2.217000      1.324000  
1 1 1 12 10 29  f 30.820  0.5761 1.378000       1.152000  
1 1 1 12 10 30  o 30.090  0.6424 -1.232000      1.285000  
1 1 1 12 10 31  o 22.160  0.5791 0.8731000      1.158000  
1 1 1 12 10 32  o 13.380  0.6581 1.459000       1.316000  
1 1 1 12 10 33  f 16.970  0.5908 -1.177000      1.182000  
1 1 1 12 10 34  o 25.600  0.6282 -3.263000      1.256000  
1 1 1 12 10 35  o 34.760  0.7242 -0.4379000     1.448000  
1 1 1 12 10 36  o 15.890  0.7232 7.041000       1.446000  
1 1 1 12 10 37  o 21.130  0.6912 -0.8575000     1.382000  
1 1 1 12 10 38  o 28.500  0.7653 -1.207000      1.531000  
1 1 1 12 10 39  f 15.030  0.8045 -3.714000      1.609000  
1 1 1 12 10 40  o 20.780  0.7342 -0.1498000E-01 1.468000  
1 1 1 12 10 41  f 9.9300  1.1530 0.7908000      2.305000  
1 1 1 12 10 42  o 15.650  0.8482 0.8234000      1.696000  
1 1 1 12 10 43  o 18.920  0.9525 0.9445000      1.905000  
1 1 1 12 10 44  o 18.800  0.9470 -1.140000      1.894000  
1 1 1 12 10 45  o 13.590  1.2350 -4.250000      2.470000  
1 1 1 12 10 46  o 17.410  1.1010 2.615000       2.201000  
1 1 1 12 10 47  o 23.760  0.9612 -4.057000      1.922000  
1 1 1 12 10 48  o 28.950  0.9945 -2.369000      1.989000  
1 1 1 12 10 49  o 42.130  1.1740 -1.741000      2.348000  
1 1 1 12 10 50  o 19.850  1.1850 6.526000       2.369000  
1 1 1 12 10 51  o 10.0000 1.9110 -0.1577000     3.821000  
1 1 1 12 10 52  f 23.340  1.0920 1.757000       2.183000  
1 1 1 12 10 53  o 12.980  1.8010 7.076000       3.601000  
1 1 1 12 10 54  o 9.2270  1.9380 -5.703000      3.877000  
1 1 1 12 10 55  o 9.8640  2.0230 3.625000       4.047000  
1 1 1 12 10 56  o 7.5600  2.0570 -2.571000      4.114000  
1 1 1 12 10 57  o 9.6910  2.1380 -2.121000      4.276000  
1 1 1 12 10 58  o 12.830  1.8620 3.135000       3.725000  
1 1 1 12 10 59  o 7.1450  2.0310 1.684000       4.062000  
1 1 1 12 10 60  o 12.510  1.9860 -0.8079000     3.972000  
1 1 1 12 10 61  o 7.8340  2.1590 0.8321000      4.318000  
1 1 1 12 10 62  f 6.3270  1.9610 1.724000       3.921000  
1 1 1 12 10 63  f 10.470  2.2970 0.1825000E-01  4.594000  
1 1 1 12 10 64  o 6.7830  2.0850 -0.3855000     4.170000  
1 1 1 12 10 65  o 15.630  1.8970 2.636000       3.793000  
1 1 1 12 10 66  o 10.100  2.3260 -1.715000      4.652000  
1 1 1 12 10 67  o 11.070  2.2430 -3.135000      4.485000  
1 1 1 12 10 68  o 6.2610  1.9780 -1.401000      3.956000  
1 1 1 12 10 69  o 7.4610  2.1870 -0.8733000     4.375000  
1 1 1 12 10 70  o 8.7070  2.2390 -3.986000      4.479000  
1 1 1 12 10 71  o 5.8870  1.9260 0.7064000      3.852000  
1 1 1 12 10 72  o 6.0000  1.9630 0.2135000E-01  3.927000  
1 1 1 12 10 73  o 5.0280  1.7230 0.1758000      3.446000  
1 1 1 12 10 74  o 4.5580  1.5840 -0.2280000E-01 3.168000  
1 1 1 12 10 75  o 5.7480  1.8780 1.181000       3.756000  
1 1 1 12 10 76  o 5.2460  1.7650 -1.372000      3.529000  
1 1 1 12 10 77  o 4.9350  1.6960 0.7074000      3.392000  
1 1 1 12 10 78  o 5.9230  1.9100 -1.887000      3.820000  
1 1 1 12 10 79  o 5.0120  1.7210 -0.2162000     3.442000  
1 1 1 12 10 80  o 4.9900  1.6930 2.057000       3.386000  
1 1 1 12 10 81  o 4.1940  1.4970 -0.1777000     2.993000  
1 1 1 12 10 82  o 4.8220  1.6630 1.578000       3.326000  
1 1 1 12 10 83  o 4.0360  1.4310 -0.1009000     2.862000  
1 1 1 12 10 84  o 5.3190  1.7240 0.4543000      3.449000  
1 1 1 12 10 85  o 3.8060  1.8940 ?              ?         
1 1 1 12 11 0   o 40.700  0.8166 -0.000000      0.000000  
1 1 1 12 11 1   f 29.070  0.5066 3.028000       1.013000  
1 1 1 12 11 2   o 9.7620  0.4828 -0.9770000     0.9656000 
1 1 1 12 11 3   o 27.760  0.4552 -1.890000      0.9103000 
1 1 1 12 11 4   o 52.240  0.7901 0.2808000      1.580000  
1 1 1 12 11 5   o 37.450  0.6231 -0.6010000     1.246000  
1 1 1 12 11 6   o 10.800  0.4854 2.200000       0.9708000 
1 1 1 12 11 7   o 7.3760  0.5726 -1.729000      1.145000  
1 1 1 12 11 8   o 24.890  0.4254 2.924000       0.8507000 
1 1 1 12 11 9   o 41.450  0.6394 -0.2071000     1.279000  
1 1 1 12 11 10  o 55.790  0.7817 2.717000       1.563000  
1 1 1 12 11 11  o 59.590  0.8999 -0.2031000     1.800000  
1 1 1 12 11 12  o 37.540  0.7079 -1.095000      1.416000  
1 1 1 12 11 13  o 39.410  0.6122 2.030000       1.224000  
1 1 1 12 11 14  o 75.600  1.1340 3.345000       2.268000  
1 1 1 12 11 15  o 42.390  0.8243 -15.22000      1.649000  
1 1 1 12 11 16  o 60.710  1.0990 1.716000       2.199000  
1 1 1 12 11 17  o 19.590  0.6287 ?              ?         
1 1 1 12 11 18  f 11.990  0.5258 0.3740000      1.052000  
1 1 1 12 11 19  o 37.580  0.6789 -1.846000      1.358000  
1 1 1 12 11 20  o 30.610  0.5354 2.792000       1.071000  
1 1 1 12 11 21  o 41.910  0.6530 0.1432000      1.306000  
1 1 1 12 11 22  o 38.880  0.6597 -2.039000      1.319000  
1 1 1 12 11 23  o 6.6710  0.9674 -5.316000      1.935000  
1 1 1 12 11 24  o 14.800  0.4731 -0.3281000     0.9463000 
1 1 1 12 11 25  o 14.180  0.4969 -0.9285000     0.9938000 
1 1 1 12 11 26  o 26.380  0.5976 -0.3967000     1.195000  
1 1 1 12 11 27  f 26.240  0.5231 -0.5374000     1.046000  
1 1 1 12 11 28  o 26.000  0.5221 -1.797000      1.044000  
1 1 1 12 11 29  o 15.690  0.5131 1.094000       1.026000  
1 1 1 12 11 30  o 19.950  0.5094 -0.3877000     1.019000  
1 1 1 12 11 31  o 25.160  0.5337 0.1003000E-01  1.067000  
1 1 1 12 11 32  o 49.720  0.8334 -1.485000      1.667000  
1 1 1 12 11 33  o 15.850  0.9018 ?              ?         
1 1 1 12 11 34  o 7.1980  1.1610 2.277000       2.322000  
1 1 1 12 11 35  o 25.570  0.6341 -0.8612000     1.268000  
1 1 1 12 11 36  o 24.040  0.6508 -1.741000      1.302000  
1 1 1 12 11 37  f 28.410  0.6755 -2.123000      1.351000  
1 1 1 12 11 38  o 13.660  0.8136 8.464000       1.627000  
1 1 1 12 11 39  o 11.910  0.8961 0.3009000      1.792000  
1 1 1 12 11 40  o 6.0430  1.4020 1.542000       2.803000  
1 1 1 12 11 41  o 14.890  0.8045 -2.158000      1.609000  
1 1 1 12 11 42  o 4.6490  1.3590 1.714000       2.718000  
1 1 1 12 11 43  o 20.280  0.7950 -2.290000      1.590000  
1 1 1 12 11 44  o 24.800  0.8161 -1.833000      1.632000  
1 1 1 12 11 45  o 9.0030  1.3940 5.857000       2.788000  
1 1 1 12 11 46  o 15.880  0.9154 0.4534000      1.831000  
1 1 1 12 11 47  o 10.220  1.6890 0.2758000      3.378000  
1 1 1 12 11 48  o 9.3180  1.8060 -2.016000      3.612000  
1 1 1 12 11 49  o 20.700  1.0870 1.818000       2.174000  
1 1 1 12 11 50  o 30.190  1.0600 1.980000       2.120000  
1 1 1 12 11 51  o 14.220  1.7020 9.428000       3.404000  
1 1 1 12 11 52  o 12.590  1.8140 -1.375000      3.627000  
1 1 1 12 11 53  o 19.930  1.2310 1.175000       2.461000  
1 1 1 12 11 54  o 10.610  1.9780 2.641000       3.956000  
1 1 1 12 11 55  o 9.3830  2.0230 -1.197000      4.046000  
1 1 1 12 11 56  o 8.9990  2.0050 1.231000       4.010000  
1 1 1 12 11 57  o 6.1770  1.8620 -0.5225000     3.725000  
1 1 1 12 11 58  o 15.590  1.5260 -1.069000      3.053000  
1 1 1 12 11 59  o 10.330  2.0120 4.028000       4.024000  
1 1 1 12 11 60  o 11.130  2.0060 -5.662000      4.013000  
1 1 1 12 11 61  o 6.8210  2.0080 -2.655000      4.015000  
1 1 1 12 11 62  o 7.6630  2.1090 -0.3468000     4.218000  
1 1 1 12 11 63  o 9.8330  2.1660 -0.8380000     4.331000  
1 1 1 12 11 64  o 6.9110  2.0560 -0.6694000     4.112000  
1 1 1 12 11 65  o 6.3950  1.9530 1.333000       3.907000  
1 1 1 12 11 66  o 6.2870  1.9520 1.240000       3.904000  
1 1 1 12 11 67  o 9.5410  2.2600 0.3885000      4.520000  
1 1 1 12 11 68  o 7.6470  2.1560 -2.922000      4.312000  
1 1 1 12 11 69  o 5.4070  1.8100 -0.4910000     3.619000  
1 1 1 12 11 70  o 7.2410  2.1550 -1.183000      4.309000  
1 1 1 12 11 71  o 5.4350  1.8270 -0.1734000     3.655000  
1 1 1 12 11 72  o 5.6170  1.8520 -0.8001000     3.704000  
1 1 1 12 11 73  o 5.5780  1.8180 -2.606000      3.636000  
1 1 1 12 11 74  o 5.1420  1.7460 1.422000       3.491000  
1 1 1 12 11 75  o 5.9770  1.9380 -1.411000      3.875000  
1 1 1 12 11 76  o 5.6970  1.8720 1.184000       3.743000  
1 1 1 12 11 77  o 5.0900  1.7380 1.124000       3.475000  
1 1 1 12 11 78  o 4.5760  1.5890 -0.6479000     3.178000  
1 1 1 12 11 79  o 5.3100  1.7480 -1.879000      3.497000  
1 1 1 12 11 80  o 5.9610  1.9320 1.644000       3.864000  
1 1 1 12 11 81  o 4.3540  1.5220 0.2943000      3.044000  
1 1 1 12 11 82  o 4.2790  1.4310 -1.224000      2.863000  
1 1 1 12 11 83  o 4.2120  1.4230 0.1917000      2.846000  
1 1 1 12 11 84  o 5.0270  2.3860 ?              ?         
1 1 1 12 12 0   o 21.020  0.7018 0.000000       0.000000  
1 1 1 12 12 1   o 35.640  0.5142 -1.196000      1.028000  
1 1 1 12 12 2   o 20.450  0.4230 3.556000       0.8461000 
1 1 1 12 12 3   o 16.090  0.4116 0.3051000      0.8232000 
1 1 1 12 12 4   o 23.120  0.5003 -5.061000      1.001000  
1 1 1 12 12 5   o 43.990  0.6231 0.8556000      1.246000  
1 1 1 12 12 6   o 14.290  0.6032 ?              ?         
1 1 1 12 12 7   o 48.420  0.7406 -2.134000      1.481000  
1 1 1 12 12 8   o 44.600  0.6340 0.8348000      1.268000  
1 1 1 12 12 9   o 28.300  0.6281 0.4314000      1.256000  
1 1 1 12 12 10  o 105.800 1.6110 -6.637000      3.223000  
1 1 1 12 12 11  o 31.270  0.9841 ?              ?         
1 1 1 12 12 12  o 34.850  0.5952 -0.1769000E-01 1.190000  
1 1 1 12 12 13  o 41.020  0.6360 0.6220000E-01  1.272000  
1 1 1 12 12 14  o 50.920  0.7744 0.2682000      1.549000  
1 1 1 12 12 15  o 24.930  0.5138 0.1627000      1.028000  
1 1 1 12 12 16  o 18.040  0.4587 2.307000       0.9175000 
1 1 1 12 12 17  f 47.910  0.8389 -1.799000      1.678000  
1 1 1 12 12 18  o 25.000  0.5494 -0.5071000     1.099000  
1 1 1 12 12 19  f 25.770  0.4558 2.066000       0.9115000 
1 1 1 12 12 20  o 31.320  0.5273 -2.218000      1.055000  
1 1 1 12 12 21  o 50.930  0.9333 2.466000       1.867000  
1 1 1 12 12 22  o 10.100  0.8713 ?              ?         
1 1 1 12 12 23  o 46.150  0.8746 2.339000       1.749000  
1 1 1 12 12 24  o 25.410  0.6660 -6.118000      1.332000  
1 1 1 12 12 25  o 11.770  0.5683 -0.6603000     1.137000  
1 1 1 12 12 26  o 16.100  0.5029 -0.2530000     1.006000  
1 1 1 12 12 27  o 41.200  0.7083 -0.3838000     1.417000  
1 1 1 12 12 28  o 10.150  1.1510 ?              ?         
1 1 1 12 12 29  o 27.260  0.5535 -0.9493000E-02 1.107000  
1 1 1 12 12 30  o 17.360  0.6771 -3.410000      1.354000  
1 1 1 12 12 31  o 22.220  0.5354 -0.2438000E-02 1.071000  
1 1 1 12 12 32  o 32.130  0.6072 -0.4087000     1.214000  
1 1 1 12 12 33  o 33.780  0.6287 -1.137000      1.257000  
1 1 1 12 12 34  o 27.980  0.6206 2.222000       1.241000  
1 1 1 12 12 35  o 8.0240  1.1420 -3.679000      2.283000  
1 1 1 12 12 36  o 25.800  0.6601 -1.719000      1.320000  
1 1 1 12 12 37  o 11.600  1.1990 ?              ?         
1 1 1 12 12 38  o 28.860  0.6857 -1.739000      1.371000  
1 1 1 12 12 39  o 15.910  0.7385 4.542000       1.477000  
1 1 1 12 12 40  o 8.6040  1.2350 2.045000       2.471000  
1 1 1 12 12 41  o 22.750  0.7111 -1.932000      1.422000  
1 1 1 12 12 42  o 7.9880  1.3390 1.961000       2.677000  
1 1 1 12 12 43  f 12.300  0.9302 1.479000       1.860000  
1 1 1 12 12 44  o 13.590  0.9265 0.2240000      1.853000  
1 1 1 12 12 45  o 7.0480  1.4590 -0.5796000E-01 2.917000  
1 1 1 12 12 46  o 5.1570  1.4160 -0.9449000     2.832000  
1 1 1 12 12 47  o 13.120  1.0510 -0.3704000     2.102000  
1 1 1 12 12 48  o 22.960  0.8708 -0.6593000     1.742000  
1 1 1 12 12 49  o 7.9040  1.5200 -2.140000      3.039000  
1 1 1 12 12 50  o 9.7130  1.4600 -2.195000      2.919000  
1 1 1 12 12 51  o 8.2520  1.9070 -1.843000      3.815000  
1 1 1 12 12 52  o 20.550  1.1170 -0.3491000     2.234000  
1 1 1 12 12 53  o 13.480  1.5570 -0.4183000     3.115000  
1 1 1 12 12 54  f 8.5410  1.9990 2.140000       3.999000  
1 1 1 12 12 55  f 6.4920  1.8950 -1.185000      3.790000  
1 1 1 12 12 56  o 9.1990  1.9870 -3.891000      3.973000  
1 1 1 12 12 57  o 6.4470  1.9110 -0.2454000     3.823000  
1 1 1 12 12 58  o 6.4690  1.8400 2.997000       3.680000  
1 1 1 12 12 59  o 11.670  1.9420 -1.997000      3.884000  
1 1 1 12 12 60  o 9.9180  2.0460 2.414000       4.093000  
1 1 1 12 12 61  o 6.1240  1.8850 -1.411000      3.770000  
1 1 1 12 12 62  o 11.560  1.9750 1.564000       3.950000  
1 1 1 12 12 63  o 9.8460  2.1300 -0.1896000     4.260000  
1 1 1 12 12 64  o 16.440  1.6210 3.661000       3.241000  
1 1 1 12 12 65  o 7.2090  2.0810 -0.8473000E-01 4.161000  
1 1 1 12 12 66  o 5.2640  1.7500 0.2545000E-01  3.499000  
1 1 1 12 12 67  o 6.5680  2.0010 0.2020000      4.003000  
1 1 1 12 12 68  o 5.6640  1.8530 -0.9183000     3.706000  
1 1 1 12 12 69  o 6.3130  1.9320 -3.528000      3.865000  
1 1 1 12 12 70  o 6.1440  1.9310 -1.467000      3.861000  
1 1 1 12 12 71  o 5.0150  1.6940 -0.7834000     3.388000  
1 1 1 12 12 72  o 5.9740  1.8940 2.048000       3.788000  
1 1 1 12 12 73  o 4.7750  1.6420 -0.5438000     3.284000  
1 1 1 12 12 74  o 5.1380  1.7410 -1.121000      3.482000  
1 1 1 12 12 75  o 6.2570  1.9770 2.104000       3.954000  
1 1 1 12 12 76  o 5.1440  1.7480 -0.2826000     3.495000  
1 1 1 12 12 77  o 6.0940  1.9470 -0.3644000     3.893000  
1 1 1 12 12 78  o 4.4890  1.5590 -0.7120000     3.118000  
1 1 1 12 12 79  o 4.9120  1.6800 0.2097000      3.360000  
1 1 1 12 12 80  o 4.5210  1.5610 0.2423000      3.121000  
1 1 1 12 12 81  o 3.8840  1.3520 0.1529000      2.705000  
1 1 1 12 12 82  o 4.2570  1.4810 0.7316000      2.961000  
1 1 1 12 12 83  o 4.4620  2.1760 ?              ?         
1 1 1 12 13 0   o 15.790  0.5036 -0.000000      0.000000  
1 1 1 12 13 1   o 13.730  0.3661 -0.3475000     0.7322000 
1 1 1 12 13 2   o 18.700  0.3591 0.1600000      0.7182000 
1 1 1 12 13 3   o 12.770  0.4271 1.318000       0.8542000 
1 1 1 12 13 4   o 21.620  0.4367 -1.060000      0.8734000 
1 1 1 12 13 5   o 16.900  0.3946 2.453000       0.7892000 
1 1 1 12 13 6   f 26.030  0.4124 0.5401000      0.8248000 
1 1 1 12 13 7   o 12.890  0.5819 -0.8169000     1.164000  
1 1 1 12 13 8   f 37.830  0.5945 -1.368000      1.189000  
1 1 1 12 13 9   o 33.770  0.6076 0.6796000      1.215000  
1 1 1 12 13 10  o 50.470  0.7111 0.3163000      1.422000  
1 1 1 12 13 11  o 28.100  0.6275 8.208000       1.255000  
1 1 1 12 13 12  o 31.790  0.4785 -0.6022000     0.9571000 
1 1 1 12 13 13  o 29.810  0.5059 -2.252000      1.012000  
1 1 1 12 13 14  o 17.800  0.4648 3.553000       0.9296000 
1 1 1 12 13 15  o 45.620  0.7010 1.332000       1.402000  
1 1 1 12 13 16  o 29.770  0.6072 -7.322000      1.214000  
1 1 1 12 13 17  o 47.250  0.8254 1.238000       1.651000  
1 1 1 12 13 18  o 16.330  0.7015 ?              ?         
1 1 1 12 13 19  o 35.330  0.5712 0.1364000      1.142000  
1 1 1 12 13 20  o 23.980  0.5194 0.2540000      1.039000  
1 1 1 12 13 21  o 17.150  0.5123 1.175000       1.025000  
1 1 1 12 13 22  o 51.510  0.9396 4.678000       1.879000  
1 1 1 12 13 23  o 29.320  0.6374 -3.496000      1.275000  
1 1 1 12 13 24  f 23.220  0.4900 2.055000       0.9799000 
1 1 1 12 13 25  o 26.570  0.5339 -1.995000      1.068000  
1 1 1 12 13 26  o 42.450  0.8301 3.327000       1.660000  
1 1 1 12 13 27  o 34.110  0.7122 -4.327000      1.424000  
1 1 1 12 13 28  o 23.210  0.5994 0.1580000      1.199000  
1 1 1 12 13 29  o 18.010  0.5250 1.027000       1.050000  
1 1 1 12 13 30  o 12.620  0.6091 0.3100000      1.218000  
1 1 1 12 13 31  o 16.650  0.5480 -0.6038000     1.096000  
1 1 1 12 13 32  o 8.7770  0.8828 0.6310000E-01  1.766000  
1 1 1 12 13 33  o 24.840  0.5631 -0.6790000     1.126000  
1 1 1 12 13 34  o 50.290  0.8499 -1.710000      1.700000  
1 1 1 12 13 35  o 4.2200  1.2690 -0.6765000     2.537000  
1 1 1 12 13 36  o 23.020  0.5728 -0.2567000     1.146000  
1 1 1 12 13 37  o 12.960  0.6928 0.3609000      1.386000  
1 1 1 12 13 38  o 17.290  0.6072 -1.091000      1.214000  
1 1 1 12 13 39  o 15.440  0.6425 -1.355000      1.285000  
1 1 1 12 13 40  o 9.6740  1.1960 -3.181000      2.391000  
1 1 1 12 13 41  o 15.210  0.8073 3.140000       1.615000  
1 1 1 12 13 42  o 21.910  0.7406 -2.230000      1.481000  
1 1 1 12 13 43  o 24.740  0.7346 -0.9539000     1.469000  
1 1 1 12 13 44  o 11.380  1.2310 ?              ?         
1 1 1 12 13 45  o 21.410  0.7718 -4.692000      1.544000  
1 1 1 12 13 46  f 14.780  0.9021 2.233000       1.804000  
1 1 1 12 13 47  o 15.900  0.9105 -1.358000      1.821000  
1 1 1 12 13 48  o 20.980  0.7869 1.706000       1.574000  
1 1 1 12 13 49  o 6.0960  1.5540 1.139000       3.107000  
1 1 1 12 13 50  o 12.410  1.1390 -0.1780000     2.279000  
1 1 1 12 13 51  o 4.2830  1.3770 1.139000       2.755000  
1 1 1 12 13 52  o 15.830  0.9758 -1.050000      1.952000  
1 1 1 12 13 53  o 7.8390  1.6530 2.006000       3.306000  
1 1 1 12 13 54  o 9.1610  1.5460 -1.937000      3.092000  
1 1 1 12 13 55  o 7.6350  1.9640 1.253000       3.929000  
1 1 1 12 13 56  o 11.020  1.8920 2.201000       3.783000  
1 1 1 12 13 57  o 8.4080  2.0360 -0.4613000     4.073000  
1 1 1 12 13 58  f 5.7360  1.7980 0.4339000      3.596000  
1 1 1 12 13 59  o 5.2400  1.7130 -0.7668000     3.426000  
1 1 1 12 13 60  o 5.1780  1.6860 0.3448000      3.372000  
1 1 1 12 13 61  o 12.170  1.9080 -0.3174000     3.816000  
1 1 1 12 13 62  o 11.330  2.0020 1.963000       4.005000  
1 1 1 12 13 63  o 7.8030  2.0520 2.113000       4.105000  
1 1 1 12 13 64  o 5.9610  1.8460 1.612000       3.692000  
1 1 1 12 13 65  o 4.9940  1.6860 -1.008000      3.372000  
1 1 1 12 13 66  o 9.5880  2.2210 0.9139000      4.441000  
1 1 1 12 13 67  o 5.6520  1.8380 -0.8721000E-01 3.675000  
1 1 1 12 13 68  o 6.5830  2.0090 -0.2014000     4.018000  
1 1 1 12 13 69  o 5.8960  1.8860 -1.228000      3.772000  
1 1 1 12 13 70  o 5.2140  1.7380 0.8358000      3.476000  
1 1 1 12 13 71  o 5.6380  1.8360 0.4750000      3.672000  
1 1 1 12 13 72  o 4.7490  1.6300 0.2412000      3.259000  
1 1 1 12 13 73  o 4.1360  1.4600 -0.2035000     2.921000  
1 1 1 12 13 74  o 5.4460  1.8060 1.538000       3.612000  
1 1 1 12 13 75  o 6.0380  1.9320 0.4432000      3.864000  
1 1 1 12 13 76  o 5.3170  1.7560 -0.5097000E-01 3.512000  
1 1 1 12 13 77  o 5.1430  1.7190 -0.6847000     3.438000  
1 1 1 12 13 78  o 4.7570  1.6270 1.335000       3.254000  
1 1 1 12 13 79  o 3.6380  1.2860 0.8631000E-01  2.573000  
1 1 1 12 13 80  o 4.3160  1.4350 -0.5140000     2.870000  
1 1 1 12 13 81  o 3.5420  1.7870 ?              ?         
1 1 1 12 13 82  o 3.7430  1.8790 ?              ?         
1 1 1 12 14 0   o 28.460  0.8777 -0.000000      0.000000  
1 1 1 12 14 1   o 46.730  0.6626 0.3088000      1.325000  
1 1 1 12 14 2   o 26.310  0.5479 5.005000       1.096000  
1 1 1 12 14 3   o 18.690  0.3726 -0.4612000     0.7452000 
1 1 1 12 14 4   o 13.540  0.4645 -1.372000      0.9290000 
1 1 1 12 14 5   o 23.040  0.4594 -1.985000      0.9187000 
1 1 1 12 14 6   o 43.460  0.6220 0.4953000      1.244000  
1 1 1 12 14 7   o 25.150  0.4741 3.150000       0.9483000 
1 1 1 12 14 8   o 34.260  0.5071 0.3612000      1.014000  
1 1 1 12 14 9   o 20.170  0.5755 9.811000       1.151000  
1 1 1 12 14 10  o 40.560  0.6374 -0.9079000     1.275000  
1 1 1 12 14 11  o 51.940  0.7938 1.540000       1.588000  
1 1 1 12 14 12  o 22.400  0.6115 0.8761000      1.223000  
1 1 1 12 14 13  f 35.520  0.5258 -0.6040000     1.052000  
1 1 1 12 14 14  f 19.680  0.4716 0.8427000      0.9432000 
1 1 1 12 14 15  o 32.910  0.4998 -0.4746000     0.9997000 
1 1 1 12 14 16  o 23.550  0.5593 2.868000       1.119000  
1 1 1 12 14 17  o 39.360  0.6242 -0.2305000     1.248000  
1 1 1 12 14 18  o 32.480  0.5387 0.4196000      1.077000  
1 1 1 12 14 19  o 26.610  0.4890 -2.710000      0.9780000 
1 1 1 12 14 20  o 20.480  0.4527 -0.8574000     0.9053000 
1 1 1 12 14 21  f 10.340  0.5968 -1.765000      1.194000  
1 1 1 12 14 22  o 38.260  0.6684 3.422000       1.337000  
1 1 1 12 14 23  o 54.820  0.8432 -0.2928000     1.686000  
1 1 1 12 14 24  o 13.210  0.8555 ?              ?         
1 1 1 12 14 25  o 33.620  0.6195 0.8961000      1.239000  
1 1 1 12 14 26  o 24.230  0.6846 0.1448000      1.369000  
1 1 1 12 14 27  o 33.600  0.6150 -2.755000      1.230000  
1 1 1 12 14 28  o 16.880  0.6530 3.781000       1.306000  
1 1 1 12 14 29  o 23.040  0.5462 -0.9015000E-01 1.092000  
1 1 1 12 14 30  o 21.980  0.5372 -0.8321000     1.074000  
1 1 1 12 14 31  o 30.190  0.5989 0.7663000      1.198000  
1 1 1 12 14 32  o 39.810  0.7043 -1.454000      1.409000  
1 1 1 12 14 33  o 18.080  0.7393 -0.3578000     1.479000  
1 1 1 12 14 34  f 18.910  0.5781 -1.172000      1.156000  
1 1 1 12 14 35  o 8.0000  1.0810 -4.469000      2.161000  
1 1 1 12 14 36  o 18.560  0.5884 -1.951000      1.177000  
1 1 1 12 14 37  o 13.880  0.8356 -2.446000      1.671000  
1 1 1 12 14 38  o 22.310  0.5996 0.5465000      1.199000  
1 1 1 12 14 39  o 21.940  0.5917 -0.3965000     1.183000  
1 1 1 12 14 40  o 13.460  0.7151 0.3740000      1.430000  
1 1 1 12 14 41  o 10.840  0.8545 -0.6550000     1.709000  
1 1 1 12 14 42  o 9.7150  0.9727 -0.5785000     1.945000  
1 1 1 12 14 43  o 21.630  0.6217 -0.3344000     1.243000  
1 1 1 12 14 44  o 20.130  0.7969 0.2917000E-01  1.594000  
1 1 1 12 14 45  o 26.250  0.7447 -0.1538000     1.489000  
1 1 1 12 14 46  o 14.430  0.8900 3.681000       1.780000  
1 1 1 12 14 47  o 11.270  1.1120 -0.4197000     2.225000  
1 1 1 12 14 48  o 20.010  0.7999 -1.718000      1.600000  
1 1 1 12 14 49  f 9.3880  1.3140 4.078000       2.627000  
1 1 1 12 14 50  o 9.9060  1.2900 2.064000       2.580000  
1 1 1 12 14 51  o 5.7960  1.5560 2.059000       3.113000  
1 1 1 12 14 52  o 9.4700  1.4480 0.7879000      2.896000  
1 1 1 12 14 53  o 6.9050  1.6340 1.649000       3.268000  
1 1 1 12 14 54  f 7.2590  1.6160 1.084000       3.232000  
1 1 1 12 14 55  o 5.8430  1.5870 0.5963000      3.174000  
1 1 1 12 14 56  o 7.1800  1.5390 -1.650000      3.078000  
1 1 1 12 14 57  o 4.4860  1.4300 1.301000       2.860000  
1 1 1 12 14 58  o 8.8750  1.5490 -1.749000      3.098000  
1 1 1 12 14 59  o 7.4360  1.9900 -0.5401000     3.979000  
1 1 1 12 14 60  o 5.3990  1.7420 -1.397000      3.485000  
1 1 1 12 14 61  o 5.9070  1.8240 1.112000       3.647000  
1 1 1 12 14 62  o 14.360  1.7080 -2.587000      3.416000  
1 1 1 12 14 63  o 7.5950  1.9520 3.627000       3.905000  
1 1 1 12 14 64  o 4.8760  1.6410 -0.3809000E-01 3.282000  
1 1 1 12 14 65  o 7.3520  1.9580 3.208000       3.917000  
1 1 1 12 14 66  o 5.5620  1.7800 1.302000       3.559000  
1 1 1 12 14 67  o 5.3120  1.7370 -0.4242000     3.474000  
1 1 1 12 14 68  f 6.4350  1.9510 0.7671000      3.902000  
1 1 1 12 14 69  o 8.4210  2.1700 1.183000       4.341000  
1 1 1 12 14 70  o 4.6340  1.5980 -0.1870000     3.195000  
1 1 1 12 14 71  f 6.3930  2.0020 0.1838000      4.005000  
1 1 1 12 14 72  o 5.6810  1.8610 -1.735000      3.721000  
1 1 1 12 14 73  o 5.8180  1.8460 -2.679000      3.693000  
1 1 1 12 14 74  o 6.2690  1.9330 -1.308000      3.866000  
1 1 1 12 14 75  o 4.6060  1.5890 0.5437000      3.178000  
1 1 1 12 14 76  o 4.5040  1.5460 -0.8325000     3.092000  
1 1 1 12 14 77  o 4.4270  1.5120 0.1867000      3.025000  
1 1 1 12 14 78  o 3.7970  1.3160 -0.7153000E-01 2.632000  
1 1 1 12 14 79  o 4.5700  1.4930 -0.2060000     2.987000  
1 1 1 12 14 80  o 3.7830  1.8930 ?              ?         
1 1 1 12 15 0   o 15.640  0.5476 0.000000       0.000000  
1 1 1 12 15 1   o 19.440  0.3828 1.884000       0.7657000 
1 1 1 12 15 2   o 28.910  0.4508 1.922000       0.9015000 
1 1 1 12 15 3   o 29.330  0.4537 -0.1534000     0.9074000 
1 1 1 12 15 4   o 24.830  0.4490 0.6787000      0.8981000 
1 1 1 12 15 5   o 32.790  0.4927 -0.3318000     0.9855000 
1 1 1 12 15 6   o 28.450  0.4804 2.327000       0.9607000 
1 1 1 12 15 7   o 25.090  0.4216 0.8033000E-01  0.8432000 
1 1 1 12 15 8   o 21.840  0.4371 0.3649000      0.8741000 
1 1 1 12 15 9   f 38.760  0.5657 0.6343000      1.131000  
1 1 1 12 15 10  o 32.220  0.4920 2.127000       0.9839000 
1 1 1 12 15 11  o 25.760  0.5492 -2.339000      1.098000  
1 1 1 12 15 12  o 45.520  0.7067 -0.6531000     1.413000  
1 1 1 12 15 13  o 14.390  0.6710 4.482000       1.342000  
1 1 1 12 15 14  o 16.730  0.4109 -0.7695000     0.8218000 
1 1 1 12 15 15  f 5.7170  0.9613 1.964000       1.923000  
1 1 1 12 15 16  o 16.200  0.4581 -3.302000      0.9162000 
1 1 1 12 15 17  o 40.310  0.5946 0.6344000      1.189000  
1 1 1 12 15 18  o 38.960  0.6280 -1.288000      1.256000  
1 1 1 12 15 19  o 38.110  0.6155 2.046000       1.231000  
1 1 1 12 15 20  f 44.320  0.6958 2.137000       1.392000  
1 1 1 12 15 21  o 10.340  0.8302 -3.615000      1.660000  
1 1 1 12 15 22  o 42.660  0.7769 -1.958000      1.554000  
1 1 1 12 15 23  f 31.980  0.5571 0.6868000E-01  1.114000  
1 1 1 12 15 24  o 16.520  0.6141 -0.5105000     1.228000  
1 1 1 12 15 25  o 9.0210  0.7705 -0.8183000     1.541000  
1 1 1 12 15 26  o 14.140  0.5467 -1.871000      1.093000  
1 1 1 12 15 27  o 22.330  0.5036 2.428000       1.007000  
1 1 1 12 15 28  o 28.030  0.6609 0.4838000      1.322000  
1 1 1 12 15 29  o 44.210  0.7637 -1.898000      1.527000  
1 1 1 12 15 30  o 19.240  0.7472 1.023000       1.494000  
1 1 1 12 15 31  o 15.040  0.6235 0.3173000      1.247000  
1 1 1 12 15 32  f 7.7830  1.0650 0.8895000      2.129000  
1 1 1 12 15 33  o 13.540  0.6812 -1.681000      1.362000  
1 1 1 12 15 34  o 20.760  0.5892 -1.040000      1.178000  
1 1 1 12 15 35  o 11.130  0.8459 0.4846000      1.692000  
1 1 1 12 15 36  o 16.480  0.6370 -1.530000      1.274000  
1 1 1 12 15 37  o 28.390  0.6112 -0.3594000     1.222000  
1 1 1 12 15 38  o 38.840  0.7138 -1.957000      1.428000  
1 1 1 12 15 39  o 14.160  0.7981 3.362000       1.596000  
1 1 1 12 15 40  o 5.9610  1.3260 0.8799000      2.652000  
1 1 1 12 15 41  o 19.380  0.6209 -0.4877000E-01 1.242000  
1 1 1 12 15 42  o 9.8260  0.9796 1.224000       1.959000  
1 1 1 12 15 43  o 26.090  0.6206 -0.5003000     1.241000  
1 1 1 12 15 44  o 9.9020  1.1980 -1.131000      2.396000  
1 1 1 12 15 45  o 14.500  0.7443 0.7927000      1.489000  
1 1 1 12 15 46  o 16.150  0.7076 -0.7323000E-01 1.415000  
1 1 1 12 15 47  o 13.730  0.7567 -1.350000      1.513000  
1 1 1 12 15 48  o 5.2670  1.4710 0.6510000      2.941000  
1 1 1 12 15 49  o 8.4050  1.3820 -1.668000      2.764000  
1 1 1 12 15 50  o 16.000  0.8831 0.1735000      1.766000  
1 1 1 12 15 51  o 4.4830  1.3790 1.946000       2.759000  
1 1 1 12 15 52  o 8.5660  1.4640 -0.8267000E-01 2.927000  
1 1 1 12 15 53  o 7.3420  1.5170 -0.7989000     3.034000  
1 1 1 12 15 54  o 4.8510  1.4850 0.6261000      2.969000  
1 1 1 12 15 55  o 6.4820  1.5560 -1.565000      3.113000  
1 1 1 12 15 56  o 9.5010  1.5140 -0.1084000     3.029000  
1 1 1 12 15 57  o 11.870  1.2650 -0.3405000     2.529000  
1 1 1 12 15 58  f 5.3050  1.5530 0.3223000      3.105000  
1 1 1 12 15 59  o 6.9230  1.6610 2.854000       3.322000  
1 1 1 12 15 60  o 6.0720  1.5940 -1.298000      3.189000  
1 1 1 12 15 61  o 6.6940  1.4820 -3.605000      2.964000  
1 1 1 12 15 62  f 8.2480  1.5780 -2.188000      3.156000  
1 1 1 12 15 63  o 6.2070  1.6530 -0.4830000     3.306000  
1 1 1 12 15 64  o 5.4520  1.7580 0.8107000      3.517000  
1 1 1 12 15 65  o 4.7030  1.5940 -1.094000      3.188000  
1 1 1 12 15 66  o 5.4120  1.7550 -0.1852000     3.509000  
1 1 1 12 15 67  o 6.8600  1.9600 1.595000       3.921000  
1 1 1 12 15 68  o 6.8410  1.9880 0.9193000      3.976000  
1 1 1 12 15 69  o 5.3970  1.7810 -1.069000      3.562000  
1 1 1 12 15 70  o 4.7220  1.6180 -0.2970000     3.237000  
1 1 1 12 15 71  o 6.5810  1.9850 -2.784000      3.969000  
1 1 1 12 15 72  o 4.3910  1.5230 -0.4655000E-01 3.045000  
1 1 1 12 15 73  o 4.3410  1.5080 1.417000       3.015000  
1 1 1 12 15 74  o 4.0730  1.4300 -0.6231000     2.860000  
1 1 1 12 15 75  o 5.2600  1.7170 1.833000       3.434000  
1 1 1 12 15 76  o 4.2060  1.4340 0.3889000      2.868000  
1 1 1 12 15 77  o 3.6580  1.2780 -0.1160000     2.555000  
1 1 1 12 15 78  f 3.8970  1.9360 ?              ?         
1 1 1 12 16 0   o 15.590  0.6270 0.000000       0.000000  
1 1 1 12 16 1   o 16.770  0.3973 0.3327000      0.7946000 
1 1 1 12 16 2   o 9.3660  0.6217 1.712000       1.243000  
1 1 1 12 16 3   o 15.550  0.4347 -0.2225000     0.8695000 
1 1 1 12 16 4   o 16.710  0.6083 -1.247000      1.217000  
1 1 1 12 16 5   o 40.020  0.6306 -0.9140000     1.261000  
1 1 1 12 16 6   o 23.660  0.4945 -0.2162000     0.9890000 
1 1 1 12 16 7   o 40.430  0.5900 -1.428000      1.180000  
1 1 1 12 16 8   o 47.770  0.6844 1.815000       1.369000  
1 1 1 12 16 9   o 39.910  0.5887 -0.6977000     1.177000  
1 1 1 12 16 10  o 28.760  0.5384 0.2234000      1.077000  
1 1 1 12 16 11  f 24.460  0.4317 -0.6341000     0.8634000 
1 1 1 12 16 12  o 12.800  0.5775 -0.4612000     1.155000  
1 1 1 12 16 13  o 37.560  0.6413 -2.387000      1.283000  
1 1 1 12 16 14  o 15.680  0.5209 -1.057000      1.042000  
1 1 1 12 16 15  o 32.810  0.5063 -0.2526000     1.013000  
1 1 1 12 16 16  o 10.990  0.6594 -1.521000      1.319000  
1 1 1 12 16 17  o 6.1900  0.8944 -0.1525000     1.789000  
1 1 1 12 16 18  o 11.690  0.5361 -0.1638000     1.072000  
1 1 1 12 16 19  o 21.660  0.4777 -1.720000      0.9553000 
1 1 1 12 16 20  o 19.990  0.5273 -3.451000      1.055000  
1 1 1 12 16 21  o 14.730  0.5394 -2.471000      1.079000  
1 1 1 12 16 22  o 21.520  0.4910 1.090000       0.9821000 
1 1 1 12 16 23  o 26.120  0.5100 0.5528000      1.020000  
1 1 1 12 16 24  o 16.860  0.6251 -1.521000      1.250000  
1 1 1 12 16 25  o 11.870  0.6242 -2.201000      1.248000  
1 1 1 12 16 26  o 10.960  0.6820 -0.5784000     1.364000  
1 1 1 12 16 27  o 11.340  0.6574 -1.174000      1.315000  
1 1 1 12 16 28  f 23.710  0.5025 0.7903000E-01  1.005000  
1 1 1 12 16 29  f 17.770  0.5769 0.3053000      1.154000  
1 1 1 12 16 30  o 17.200  0.5997 1.046000       1.199000  
1 1 1 12 16 31  o 7.3230  1.1790 0.2235000      2.358000  
1 1 1 12 16 32  o 33.000  0.6382 1.140000       1.276000  
1 1 1 12 16 33  o 15.960  0.7249 4.495000       1.450000  
1 1 1 12 16 34  o 28.750  0.6080 -0.4801000     1.216000  
1 1 1 12 16 35  o 30.970  0.6282 -1.200000      1.256000  
1 1 1 12 16 36  o 16.370  0.6520 0.4963000      1.304000  
1 1 1 12 16 37  o 19.730  0.6098 -0.2428000     1.220000  
1 1 1 12 16 38  o 15.300  0.6736 1.239000       1.347000  
1 1 1 12 16 39  o 22.680  0.6132 0.1571000      1.226000  
1 1 1 12 16 40  o 5.3290  1.3100 1.882000       2.620000  
1 1 1 12 16 41  o 14.470  0.7387 0.1744000      1.477000  
1 1 1 12 16 42  f 13.660  0.7288 0.2801000      1.458000  
1 1 1 12 16 43  o 20.580  0.6313 0.5921000      1.263000  
1 1 1 12 16 44  o 4.7710  1.2780 2.048000       2.555000  
1 1 1 12 16 45  o 19.570  0.6365 -0.9489000E-01 1.273000  
1 1 1 12 16 46  f 11.100  0.9003 -0.4641000     1.801000  
1 1 1 12 16 47  o 6.5650  1.3310 -2.023000      2.663000  
1 1 1 12 16 48  o 10.570  0.9787 -0.7206000     1.957000  
1 1 1 12 16 49  o 4.1130  1.2670 -0.1748000     2.534000  
1 1 1 12 16 50  o 16.220  1.2080 6.551000       2.416000  
1 1 1 12 16 51  o 11.630  0.9203 1.969000       1.841000  
1 1 1 12 16 52  o 7.7180  1.4810 2.876000       2.963000  
1 1 1 12 16 53  o 14.040  1.0470 -0.2139000     2.094000  
1 1 1 12 16 54  o 10.010  1.4080 -2.307000      2.815000  
1 1 1 12 16 55  o 8.7080  1.4840 1.167000       2.968000  
1 1 1 12 16 56  o 6.6040  1.5630 -1.948000      3.126000  
1 1 1 12 16 57  o 5.3050  1.5540 2.614000       3.109000  
1 1 1 12 16 58  o 5.4890  1.6090 1.718000       3.217000  
1 1 1 12 16 59  o 4.1960  1.3880 1.259000       2.777000  
1 1 1 12 16 60  o 6.1570  1.6030 -0.4068000     3.206000  
1 1 1 12 16 61  o 7.9330  1.7020 2.849000       3.404000  
1 1 1 12 16 62  o 5.5620  1.5960 0.7242000      3.192000  
1 1 1 12 16 63  o 4.7090  1.4440 -0.5449000     2.889000  
1 1 1 12 16 64  o 7.5800  1.4410 -4.692000      2.883000  
1 1 1 12 16 65  o 5.3260  1.5700 0.3539000      3.141000  
1 1 1 12 16 66  o 4.0750  1.3490 0.2349000      2.697000  
1 1 1 12 16 67  o 4.0820  1.3720 0.7273000      2.743000  
1 1 1 12 16 68  o 5.0070  1.6790 0.5485000E-01  3.358000  
1 1 1 12 16 69  o 5.0550  1.6890 -0.8545000     3.378000  
1 1 1 12 16 70  o 5.0190  1.6780 -0.1882000     3.357000  
1 1 1 12 16 71  o 5.1260  1.6950 -0.3328000     3.390000  
1 1 1 12 16 72  o 5.9440  1.8620 -0.5484000     3.724000  
1 1 1 12 16 73  o 5.4250  1.7500 0.4893000      3.500000  
1 1 1 12 16 74  o 4.3910  1.4870 0.5142000      2.974000  
1 1 1 12 16 75  o 4.0870  1.3990 0.3012000      2.799000  
1 1 1 12 16 76  o 3.9010  1.9400 ?              ?         
1 1 1 12 17 0   o 7.7360  1.2570 -0.000000      0.000000  
1 1 1 12 17 1   o 20.950  0.4078 0.1952000      0.8156000 
1 1 1 12 17 2   o 13.450  0.5340 -0.7374000     1.068000  
1 1 1 12 17 3   o 17.420  0.4523 -2.042000      0.9045000 
1 1 1 12 17 4   o 25.640  0.4729 -0.3662000     0.9458000 
1 1 1 12 17 5   o 21.880  0.4548 -1.077000      0.9096000 
1 1 1 12 17 6   o 21.750  0.4186 -0.9094000E-01 0.8371000 
1 1 1 12 17 7   o 24.650  0.4318 -0.1649000E-01 0.8637000 
1 1 1 12 17 8   o 19.000  0.4839 4.460000       0.9677000 
1 1 1 12 17 9   o 29.290  0.4713 -0.1144000     0.9426000 
1 1 1 12 17 10  o 18.170  0.5078 -1.326000      1.016000  
1 1 1 12 17 11  o 22.630  0.4265 0.5696000      0.8530000 
1 1 1 12 17 12  f 29.520  0.4767 0.6384000      0.9533000 
1 1 1 12 17 13  o 23.790  0.5151 0.1533000      1.030000  
1 1 1 12 17 14  o 39.060  0.5802 1.533000       1.160000  
1 1 1 12 17 15  o 28.920  0.4776 0.9182000      0.9552000 
1 1 1 12 17 16  o 26.470  0.5027 0.7032000E-01  1.005000  
1 1 1 12 17 17  o 13.120  0.5716 3.064000       1.143000  
1 1 1 12 17 18  o 16.360  0.4474 -0.1244000     0.8949000 
1 1 1 12 17 19  f 9.3520  0.7394 1.711000       1.479000  
1 1 1 12 17 20  o 21.380  0.4405 -0.5514000     0.8810000 
1 1 1 12 17 21  o 38.500  0.6269 1.260000       1.254000  
1 1 1 12 17 22  o 15.910  0.6641 -4.288000      1.328000  
1 1 1 12 17 23  o 21.990  0.4914 2.048000       0.9829000 
1 1 1 12 17 24  o 8.5140  1.0860 -4.237000      2.171000  
1 1 1 12 17 25  o 7.3470  0.9563 -0.4436000     1.913000  
1 1 1 12 17 26  o 5.6710  1.0710 -3.525000      2.142000  
1 1 1 12 17 27  o 24.440  0.5664 3.220000       1.133000  
1 1 1 12 17 28  o 21.130  0.5591 -5.328000      1.118000  
1 1 1 12 17 29  o 30.560  0.6888 2.809000       1.378000  
1 1 1 12 17 30  o 27.230  0.5991 -0.7507000E-01 1.198000  
1 1 1 12 17 31  o 13.930  0.6739 -1.624000      1.348000  
1 1 1 12 17 32  o 16.740  0.6093 -0.5690000     1.219000  
1 1 1 12 17 33  o 17.870  0.6104 -1.285000      1.221000  
1 1 1 12 17 34  o 6.7370  1.2240 2.174000       2.449000  
1 1 1 12 17 35  o 15.020  0.6704 -1.460000      1.341000  
1 1 1 12 17 36  o 9.0750  1.0310 0.8407000      2.062000  
1 1 1 12 17 37  o 26.690  0.6169 -0.6344000     1.234000  
1 1 1 12 17 38  o 4.5500  1.3480 -0.9108000     2.696000  
1 1 1 12 17 39  o 7.5050  1.2260 -0.5280000     2.452000  
1 1 1 12 17 40  o 5.5860  1.2040 3.481000       2.409000  
1 1 1 12 17 41  o 7.4670  1.1990 2.430000       2.399000  
1 1 1 12 17 42  o 5.4850  1.3080 -1.204000      2.617000  
1 1 1 12 17 43  f 5.4490  1.3340 -1.441000      2.667000  
1 1 1 12 17 44  o 23.570  0.6335 0.7300000      1.267000  
1 1 1 12 17 45  o 11.220  0.8963 1.385000       1.793000  
1 1 1 12 17 46  f 5.0470  1.3500 0.2757000      2.700000  
1 1 1 12 17 47  o 7.8070  1.2480 1.008000       2.496000  
1 1 1 12 17 48  o 18.170  0.6820 -0.7655000     1.364000  
1 1 1 12 17 49  o 19.280  0.6813 0.5846000      1.363000  
1 1 1 12 17 50  o 3.9120  1.2340 0.8661000      2.467000  
1 1 1 12 17 51  o 15.350  0.8037 0.8336000      1.607000  
1 1 1 12 17 52  o 17.730  0.8133 0.2042000      1.627000  
1 1 1 12 17 53  o 9.6550  1.1840 2.537000       2.369000  
1 1 1 12 17 54  o 4.9020  1.3590 0.8415000      2.718000  
1 1 1 12 17 55  o 4.3890  1.3100 1.395000       2.620000  
1 1 1 12 17 56  o 4.3570  1.2970 0.7724000      2.594000  
1 1 1 12 17 57  o 9.8580  1.4250 -4.159000      2.850000  
1 1 1 12 17 58  o 14.870  1.0730 0.1079000      2.146000  
1 1 1 12 17 59  o 5.8220  1.6010 3.190000       3.201000  
1 1 1 12 17 60  o 4.3060  1.3980 0.9050000      2.797000  
1 1 1 12 17 61  o 4.7650  1.4690 0.3032000      2.938000  
1 1 1 12 17 62  o 5.1490  1.5650 2.700000       3.131000  
1 1 1 12 17 63  f 5.8290  1.6130 0.3558000      3.225000  
1 1 1 12 17 64  o 5.8020  1.4820 -2.077000      2.964000  
1 1 1 12 17 65  o 4.2180  1.3760 0.2807000      2.752000  
1 1 1 12 17 66  o 5.3160  1.5410 -0.6861000     3.081000  
1 1 1 12 17 67  o 6.4030  1.6740 0.8483000      3.348000  
1 1 1 12 17 68  o 5.2310  1.4220 -2.278000      2.845000  
1 1 1 12 17 69  o 4.0670  1.3640 1.123000       2.728000  
1 1 1 12 17 70  o 5.1920  1.5750 1.717000       3.151000  
1 1 1 12 17 71  o 4.9660  1.4170 -1.968000      2.835000  
1 1 1 12 17 72  o 5.6990  1.5140 -1.901000      3.029000  
1 1 1 12 17 73  o 5.3710  1.6960 0.9498000      3.393000  
1 1 1 12 17 74  f 4.6140  2.2280 ?              ?         
1 1 1 12 18 0   o 31.980  0.7041 0.000000       0.000000  
1 1 1 12 18 1   o 14.640  0.6163 1.191000       1.233000  
1 1 1 12 18 2   o 27.710  0.4584 -0.7931000     0.9169000 
1 1 1 12 18 3   o 27.490  0.5036 0.6428000      1.007000  
1 1 1 12 18 4   o 30.180  0.6042 6.871000       1.208000  
1 1 1 12 18 5   o 41.760  0.6103 0.2124000E-01  1.221000  
1 1 1 12 18 6   o 22.840  0.5134 0.2360000      1.027000  
1 1 1 12 18 7   o 14.810  0.5377 -0.7347000     1.075000  
1 1 1 12 18 8   o 8.7040  0.8130 3.200000       1.626000  
1 1 1 12 18 9   o 8.9880  0.7894 -0.3285000     1.579000  
1 1 1 12 18 10  o 24.000  0.4333 -0.8713000E-01 0.8666000 
1 1 1 12 18 11  o 12.770  0.6039 4.184000       1.208000  
1 1 1 12 18 12  o 20.270  0.4280 0.9976000      0.8560000 
1 1 1 12 18 13  o 23.530  0.4521 0.5639000      0.9042000 
1 1 1 12 18 14  o 31.340  0.5004 -0.2277000     1.001000  
1 1 1 12 18 15  o 14.070  0.6772 0.6978000      1.354000  
1 1 1 12 18 16  f 31.690  0.5511 -0.7572000     1.102000  
1 1 1 12 18 17  o 30.300  0.4991 0.1508000      0.9982000 
1 1 1 12 18 18  o 21.990  0.5338 -0.7853000     1.068000  
1 1 1 12 18 19  o 11.850  0.6306 1.434000       1.261000  
1 1 1 12 18 20  f 26.830  0.4696 0.7017000      0.9392000 
1 1 1 12 18 21  o 14.030  0.6154 1.470000       1.231000  
1 1 1 12 18 22  o 13.570  0.5747 -1.655000      1.149000  
1 1 1 12 18 23  o 20.560  0.5033 0.2923000      1.007000  
1 1 1 12 18 24  o 16.860  0.5383 -0.5721000E-01 1.077000  
1 1 1 12 18 25  o 7.0750  1.0210 -3.752000      2.042000  
1 1 1 12 18 26  o 5.0040  1.1850 0.6107000      2.369000  
1 1 1 12 18 27  o 20.050  0.5108 -0.6934000     1.022000  
1 1 1 12 18 28  o 5.8050  1.1400 -2.540000      2.280000  
1 1 1 12 18 29  o 12.780  0.6400 0.1532000      1.280000  
1 1 1 12 18 30  o 16.000  0.5633 0.4721000      1.127000  
1 1 1 12 18 31  o 6.0320  1.1740 -1.258000      2.347000  
1 1 1 12 18 32  o 3.4810  1.1100 0.1621000      2.220000  
1 1 1 12 18 33  o 12.150  0.7707 0.7721000      1.541000  
1 1 1 12 18 34  o 10.640  0.8688 -0.2815000     1.738000  
1 1 1 12 18 35  o 4.5430  1.2070 -2.322000      2.415000  
1 1 1 12 18 36  o 9.3180  0.9972 -0.5342000     1.994000  
1 1 1 12 18 37  o 20.020  0.6194 1.651000       1.239000  
1 1 1 12 18 38  o 10.100  0.9377 -0.4329000     1.875000  
1 1 1 12 18 39  o 7.3250  1.2390 0.8865000      2.478000  
1 1 1 12 18 40  o 13.740  0.7471 0.5533000      1.494000  
1 1 1 12 18 41  o 7.5500  1.2440 -0.7747000     2.488000  
1 1 1 12 18 42  o 4.9010  1.3170 -1.116000      2.633000  
1 1 1 12 18 43  o 7.4430  1.2180 3.863000       2.436000  
1 1 1 12 18 44  o 16.920  0.7084 0.9185000      1.417000  
1 1 1 12 18 45  o 7.2160  1.2980 2.796000       2.596000  
1 1 1 12 18 46  o 6.6490  1.3410 -2.081000      2.682000  
1 1 1 12 18 47  o 11.900  0.8941 -0.3788000     1.788000  
1 1 1 12 18 48  o 9.3370  1.1590 -3.052000      2.318000  
1 1 1 12 18 49  o 13.390  0.8376 -0.1515000     1.675000  
1 1 1 12 18 50  o 3.7800  1.2100 0.1733000      2.420000  
1 1 1 12 18 51  o 5.2470  1.3950 0.5600000      2.791000  
1 1 1 12 18 52  o 4.4120  1.3090 -0.5458000     2.619000  
1 1 1 12 18 53  o 6.3210  1.3970 -1.066000      2.794000  
1 1 1 12 18 54  o 7.1980  1.3870 2.389000       2.774000  
1 1 1 12 18 55  o 5.4970  1.4310 -0.3345000     2.862000  
1 1 1 12 18 56  f 6.5290  1.4350 0.8527000      2.869000  
1 1 1 12 18 57  o 4.8680  1.3670 -0.1619000     2.734000  
1 1 1 12 18 58  o 5.5080  1.3560 -2.690000      2.712000  
1 1 1 12 18 59  o 6.5090  1.4500 0.4694000E-01  2.900000  
1 1 1 12 18 60  o 7.3050  1.3950 0.3841000      2.791000  
1 1 1 12 18 61  o 7.4130  1.3900 2.309000       2.781000  
1 1 1 12 18 62  o 5.9510  1.6310 0.6032000      3.263000  
1 1 1 12 18 63  o 3.7610  1.2820 0.7257000      2.564000  
1 1 1 12 18 64  o 4.9580  1.5190 0.6382000      3.039000  
1 1 1 12 18 65  o 4.6400  1.4490 0.1035000E-01  2.898000  
1 1 1 12 18 66  o 8.1690  1.5700 -2.617000      3.140000  
1 1 1 12 18 67  f 4.8580  1.4900 0.9402000      2.980000  
1 1 1 12 18 68  o 5.3910  1.5400 0.4624000      3.081000  
1 1 1 12 18 69  o 4.4520  1.3700 -0.5916000     2.739000  
1 1 1 12 18 70  f 4.5510  1.4080 1.544000       2.815000  
1 1 1 12 18 71  o 4.5240  1.5130 0.6314000      3.026000  
1 1 1 12 19 0   f 9.5640  0.9076 0.000000       0.000000  
1 1 1 12 19 1   o 14.130  0.4887 0.1951000      0.9774000 
1 1 1 12 19 2   o 17.510  0.4409 -0.3096000     0.8819000 
1 1 1 12 19 3   o 17.190  0.5352 -2.891000      1.070000  
1 1 1 12 19 4   o 33.550  0.6090 -1.520000      1.218000  
1 1 1 12 19 5   f 40.510  0.5988 0.1588000      1.198000  
1 1 1 12 19 6   o 22.020  0.5860 8.975000       1.172000  
1 1 1 12 19 7   o 12.300  0.6504 -1.979000      1.301000  
1 1 1 12 19 8   o 9.2800  0.7615 1.147000       1.523000  
1 1 1 12 19 9   o 12.320  0.5162 0.5083000      1.032000  
1 1 1 12 19 10  o 12.970  0.5085 -0.5264000     1.017000  
1 1 1 12 19 11  o 11.120  0.6259 0.3098000E-01  1.252000  
1 1 1 12 19 12  o 22.610  0.4430 -0.2900000     0.8859000 
1 1 1 12 19 13  o 11.060  0.7206 4.749000       1.441000  
1 1 1 12 19 14  o 12.410  0.5385 -0.9473000     1.077000  
1 1 1 12 19 15  o 20.650  0.4475 0.4124000      0.8950000 
1 1 1 12 19 16  o 8.3390  0.9641 3.056000       1.928000  
1 1 1 12 19 17  o 14.870  0.5441 -0.8133000     1.088000  
1 1 1 12 19 18  o 26.680  0.4724 -0.5267000     0.9448000 
1 1 1 12 19 19  o 15.880  0.5521 -2.955000      1.104000  
1 1 1 12 19 20  o 34.670  0.5941 -1.285000      1.188000  
1 1 1 12 19 21  o 7.3740  1.0880 0.8549000      2.176000  
1 1 1 12 19 22  o 33.100  0.5863 1.879000       1.173000  
1 1 1 12 19 23  o 8.4060  1.1350 -0.9503000E-02 2.270000  
1 1 1 12 19 24  o 4.6940  1.1720 -0.3247000     2.345000  
1 1 1 12 19 25  o 5.7870  1.0660 -3.969000      2.132000  
1 1 1 12 19 26  o 4.2450  1.1570 -1.613000      2.314000  
1 1 1 12 19 27  o 12.490  0.6457 -0.3678000     1.291000  
1 1 1 12 19 28  o 9.8790  0.7960 -0.9161000     1.592000  
1 1 1 12 19 29  o 4.8050  1.2110 -1.064000      2.423000  
1 1 1 12 19 30  o 9.7340  0.8017 0.5604000E-02  1.603000  
1 1 1 12 19 31  o 5.3320  1.1690 -2.614000      2.338000  
1 1 1 12 19 32  o 4.8090  1.1880 0.3219000      2.377000  
1 1 1 12 19 33  o 5.2370  1.2630 -1.823000      2.526000  
1 1 1 12 19 34  o 11.060  0.8694 -1.541000      1.739000  
1 1 1 12 19 35  o 9.3240  1.0050 -0.8182000     2.011000  
1 1 1 12 19 36  f 8.6550  1.0890 0.2099000E-01  2.178000  
1 1 1 12 19 37  o 11.080  0.8725 1.499000       1.745000  
1 1 1 12 19 38  o 9.4770  1.0170 -0.9801000     2.034000  
1 1 1 12 19 39  o 19.370  0.6344 -1.490000      1.269000  
1 1 1 12 19 40  o 11.610  0.8993 0.5498000      1.799000  
1 1 1 12 19 41  o 5.2100  1.3770 -0.6227000E-01 2.754000  
1 1 1 12 19 42  o 10.560  0.9639 0.6118000      1.928000  
1 1 1 12 19 43  o 6.9100  1.3190 2.230000       2.637000  
1 1 1 12 19 44  o 8.3720  1.2080 2.576000       2.416000  
1 1 1 12 19 45  o 7.9960  1.2670 -0.9708000     2.535000  
1 1 1 12 19 46  o 13.130  0.8399 0.8717000E-01  1.680000  
1 1 1 12 19 47  f 12.130  0.8945 1.320000       1.789000  
1 1 1 12 19 48  o 7.7970  1.2840 1.490000       2.569000  
1 1 1 12 19 49  f 5.1140  1.2050 -3.873000      2.411000  
1 1 1 12 19 50  f 10.990  0.9548 1.330000       1.910000  
1 1 1 12 19 51  f 5.2090  1.3870 -0.1370000E-01 2.774000  
1 1 1 12 19 52  o 7.3890  1.3510 -0.1279000     2.702000  
1 1 1 12 19 53  o 4.7110  1.3340 -1.192000      2.668000  
1 1 1 12 19 54  o 12.980  0.9162 -2.157000      1.832000  
1 1 1 12 19 55  f 5.0270  1.3950 -0.4279000     2.791000  
1 1 1 12 19 56  o 5.5560  1.3870 -1.168000      2.774000  
1 1 1 12 19 57  o 3.8600  1.2330 0.7940000      2.466000  
1 1 1 12 19 58  o 4.8130  1.3630 1.459000       2.726000  
1 1 1 12 19 59  o 7.1770  1.4320 0.3066000      2.865000  
1 1 1 12 19 60  o 6.1840  1.4140 1.725000       2.828000  
1 1 1 12 19 61  o 4.1920  1.2890 -1.153000      2.578000  
1 1 1 12 19 62  o 4.4050  1.3310 0.3603000      2.662000  
1 1 1 12 19 63  o 6.4480  1.4010 2.780000       2.801000  
1 1 1 12 19 64  o 5.0160  1.4190 0.7465000      2.837000  
1 1 1 12 19 65  o 3.4350  1.1460 0.4783000      2.292000  
1 1 1 12 19 66  f 3.9680  1.2570 0.3259000      2.514000  
1 1 1 12 19 67  o 3.8540  1.2290 -0.7934000     2.458000  
1 1 1 12 19 68  o 4.0080  1.3010 -0.3119000     2.603000  
1 1 1 12 19 69  o 4.1780  1.4490 0.7334000      2.897000  
1 1 1 12 20 0   o 12.000  0.7887 0.000000       0.000000  
1 1 1 12 20 1   o 10.160  0.8015 -5.730000      1.603000  
1 1 1 12 20 2   o 29.080  0.4873 -0.2042000     0.9746000 
1 1 1 12 20 3   o 16.010  0.5453 5.204000       1.091000  
1 1 1 12 20 4   o 19.920  0.4447 -0.2014000     0.8893000 
1 1 1 12 20 5   o 16.860  0.4926 0.5542000      0.9852000 
1 1 1 12 20 6   o 6.2200  1.0680 -2.261000      2.137000  
1 1 1 12 20 7   o 11.650  0.5707 0.6472000      1.141000  
1 1 1 12 20 8   o 24.180  0.4998 0.2625000      0.9997000 
1 1 1 12 20 9   o 35.790  0.6012 0.4809000      1.202000  
1 1 1 12 20 10  o 17.830  0.6367 -2.150000      1.273000  
1 1 1 12 20 11  o 19.540  0.6050 9.956000       1.210000  
1 1 1 12 20 12  o 32.590  0.5218 -1.046000      1.044000  
1 1 1 12 20 13  o 21.920  0.5202 5.188000       1.040000  
1 1 1 12 20 14  o 19.370  0.5544 -5.597000      1.109000  
1 1 1 12 20 15  o 28.680  0.4975 0.2543000      0.9949000 
1 1 1 12 20 16  o 26.750  0.4837 -0.6461000     0.9673000 
1 1 1 12 20 17  o 10.070  0.8073 -0.3690000     1.615000  
1 1 1 12 20 18  o 20.380  0.4565 -0.2492000     0.9131000 
1 1 1 12 20 19  o 14.930  0.5585 1.931000       1.117000  
1 1 1 12 20 20  o 12.180  0.5805 -2.164000      1.161000  
1 1 1 12 20 21  o 9.8820  0.7061 0.4758000E-01  1.412000  
1 1 1 12 20 22  o 19.140  0.4670 -1.075000      0.9339000 
1 1 1 12 20 23  o 15.500  0.5093 -1.053000      1.019000  
1 1 1 12 20 24  f 20.270  0.4727 -2.109000      0.9454000 
1 1 1 12 20 25  o 18.250  0.5291 0.1213000      1.058000  
1 1 1 12 20 26  o 6.3380  1.2510 -3.956000      2.502000  
1 1 1 12 20 27  o 23.210  0.5206 0.4851000      1.041000  
1 1 1 12 20 28  o 3.8720  1.2040 -0.9604000E-01 2.408000  
1 1 1 12 20 29  o 9.2630  0.8812 1.092000       1.762000  
1 1 1 12 20 30  o 4.6450  1.2240 -0.4565000     2.449000  
1 1 1 12 20 31  o 7.3710  1.0720 -0.5015000     2.144000  
1 1 1 12 20 32  o 4.5220  1.1930 -2.277000      2.387000  
1 1 1 12 20 33  o 14.440  0.6228 -0.2567000     1.246000  
1 1 1 12 20 34  o 10.920  0.8844 1.341000       1.769000  
1 1 1 12 20 35  o 10.470  0.9146 -0.2580000     1.829000  
1 1 1 12 20 36  o 7.8780  1.2230 1.867000       2.446000  
1 1 1 12 20 37  o 11.790  0.8853 2.728000       1.771000  
1 1 1 12 20 38  o 7.8560  1.2510 1.401000       2.502000  
1 1 1 12 20 39  o 4.9000  1.3010 -2.013000      2.602000  
1 1 1 12 20 40  o 22.460  0.6336 -0.5494000     1.267000  
1 1 1 12 20 41  o 20.130  0.7328 0.2399000      1.466000  
1 1 1 12 20 42  o 8.3270  1.2270 0.8981000      2.454000  
1 1 1 12 20 43  o 7.4530  1.2620 3.189000       2.524000  
1 1 1 12 20 44  o 16.210  0.7116 -1.140000      1.423000  
1 1 1 12 20 45  o 12.500  0.8458 -0.4473000     1.692000  
1 1 1 12 20 46  f 5.6340  1.3520 -1.438000      2.704000  
1 1 1 12 20 47  f 5.9480  1.4070 0.5182000      2.813000  
1 1 1 12 20 48  o 11.050  0.9816 0.8982000      1.963000  
1 1 1 12 20 49  o 8.4290  1.2430 -3.435000      2.486000  
1 1 1 12 20 50  o 12.160  0.9118 -0.4963000     1.824000  
1 1 1 12 20 51  o 9.4560  1.1450 1.047000       2.289000  
1 1 1 12 20 52  o 7.5320  1.3180 3.249000       2.637000  
1 1 1 12 20 53  o 3.9950  1.2540 -0.4571000     2.509000  
1 1 1 12 20 54  o 4.3390  1.2830 -1.163000      2.565000  
1 1 1 12 20 55  o 6.5740  1.3790 -1.120000      2.758000  
1 1 1 12 20 56  o 5.5050  1.3770 2.080000       2.754000  
1 1 1 12 20 57  o 5.3150  1.4140 -1.516000      2.829000  
1 1 1 12 20 58  o 6.2300  1.4720 -0.7490000E-01 2.943000  
1 1 1 12 20 59  o 4.6370  1.3530 -0.2328000     2.706000  
1 1 1 12 20 60  o 4.1090  1.2950 0.4910000      2.590000  
1 1 1 12 20 61  o 9.3230  1.2920 -1.619000      2.585000  
1 1 1 12 20 62  o 4.9950  1.4140 0.9707000      2.828000  
1 1 1 12 20 63  o 5.6700  1.4510 -0.3494000     2.903000  
1 1 1 12 20 64  o 3.6300  1.1770 0.1810000      2.355000  
1 1 1 12 20 65  o 5.5920  1.4440 1.924000       2.887000  
1 1 1 12 20 66  o 4.0090  1.3980 0.5494000      2.797000  
1 1 1 12 21 0   o 49.270  1.0190 -0.000000      0.000000  
1 1 1 12 21 1   o 19.850  0.6777 -11.69000      1.355000  
1 1 1 12 21 2   o 7.7640  0.9448 -0.2124000     1.890000  
1 1 1 12 21 3   o 8.7610  0.8035 -2.821000      1.607000  
1 1 1 12 21 4   o 9.9130  0.6645 -0.6391000     1.329000  
1 1 1 12 21 5   o 12.220  0.5781 -0.7500000     1.156000  
1 1 1 12 21 6   o 13.940  0.6087 -2.186000      1.217000  
1 1 1 12 21 7   o 25.460  0.4734 -0.3892000     0.9469000 
1 1 1 12 21 8   o 16.540  0.5546 -0.4391000     1.109000  
1 1 1 12 21 9   o 9.6000  0.8100 3.009000       1.620000  
1 1 1 12 21 10  o 10.170  0.6619 -1.776000      1.324000  
1 1 1 12 21 11  f 17.190  0.4648 -0.1642000E-01 0.9297000 
1 1 1 12 21 12  o 12.800  0.6752 -4.223000      1.350000  
1 1 1 12 21 13  o 15.710  0.4912 -1.220000      0.9824000 
1 1 1 12 21 14  o 17.940  0.4671 0.1571000      0.9342000 
1 1 1 12 21 15  f 9.9020  0.6798 0.4583000      1.360000  
1 1 1 12 21 16  f 6.9550  0.9600 1.520000       1.920000  
1 1 1 12 21 17  o 15.470  0.4899 -1.116000      0.9798000 
1 1 1 12 21 18  o 12.590  0.5497 -0.6117000     1.099000  
1 1 1 12 21 19  o 6.7440  0.9870 2.354000       1.974000  
1 1 1 12 21 20  o 7.6990  0.8610 0.5607000      1.722000  
1 1 1 12 21 21  f 18.490  0.4739 1.197000       0.9479000 
1 1 1 12 21 22  o 18.000  0.4891 0.3911000      0.9783000 
1 1 1 12 21 23  o 24.000  0.5343 1.481000       1.069000  
1 1 1 12 21 24  o 16.590  0.5923 -2.229000      1.185000  
1 1 1 12 21 25  o 9.2460  0.7536 -0.3432000     1.507000  
1 1 1 12 21 26  o 10.020  0.7798 -1.655000      1.560000  
1 1 1 12 21 27  f 6.9060  1.1160 -1.056000      2.232000  
1 1 1 12 21 28  o 10.130  0.7999 0.5293000      1.600000  
1 1 1 12 21 29  o 6.1360  1.2000 -0.7956000     2.399000  
1 1 1 12 21 30  o 8.5120  0.9595 -0.6636000     1.919000  
1 1 1 12 21 31  o 11.920  0.7188 -1.127000      1.438000  
1 1 1 12 21 32  o 5.8210  1.2610 -0.7724000     2.522000  
1 1 1 12 21 33  o 10.220  0.8877 1.674000       1.775000  
1 1 1 12 21 34  o 6.2120  1.2380 -0.5821000     2.477000  
1 1 1 12 21 35  o 10.930  0.8910 0.4833000E-01  1.782000  
1 1 1 12 21 36  o 3.8390  1.1910 -1.183000      2.382000  
1 1 1 12 21 37  o 15.700  0.6995 -1.225000      1.399000  
1 1 1 12 21 38  o 13.720  0.7571 -1.346000      1.514000  
1 1 1 12 21 39  f 6.8060  1.2520 -3.267000      2.504000  
1 1 1 12 21 40  o 9.8790  1.0120 -0.1702000     2.024000  
1 1 1 12 21 41  o 13.990  0.7520 -0.1709000     1.504000  
1 1 1 12 21 42  o 5.5710  1.3470 -1.183000      2.695000  
1 1 1 12 21 43  o 10.630  0.9568 1.768000       1.914000  
1 1 1 12 21 44  o 8.0120  1.2460 -0.8482000     2.492000  
1 1 1 12 21 45  o 9.1040  1.1680 0.8544000      2.337000  
1 1 1 12 21 46  o 7.8680  1.3120 -0.3571000     2.624000  
1 1 1 12 21 47  o 6.8710  1.3400 -2.937000      2.680000  
1 1 1 12 21 48  o 6.0240  1.4100 1.149000       2.820000  
1 1 1 12 21 49  o 7.7300  1.3210 -0.6638000E-01 2.642000  
1 1 1 12 21 50  f 5.8090  1.4060 0.3283000      2.812000  
1 1 1 12 21 51  f 4.7770  1.3620 0.4639000      2.724000  
1 1 1 12 21 52  o 8.0420  1.3150 -2.857000      2.629000  
1 1 1 12 21 53  o 3.8380  1.2120 -1.561000      2.424000  
1 1 1 12 21 54  o 4.9480  1.3850 -0.6163000     2.770000  
1 1 1 12 21 55  o 3.1250  1.0640 -0.6252000E-02 2.127000  
1 1 1 12 21 56  o 4.2870  1.2990 -0.8231000     2.599000  
1 1 1 12 21 57  o 10.020  1.1670 1.416000       2.333000  
1 1 1 12 21 58  o 3.2220  1.0930 -0.5028000     2.185000  
1 1 1 12 21 59  o 9.2810  1.1870 0.7293000      2.374000  
1 1 1 12 21 60  o 4.5310  1.3410 0.1081000      2.683000  
1 1 1 12 21 61  o 7.0490  1.3900 -0.6587000E-01 2.779000  
1 1 1 12 21 62  o 3.9950  1.2410 -0.7114000E-01 2.482000  
1 1 1 12 21 63  o 4.4440  2.1820 ?              ?         
1 1 1 12 22 0   o 14.990  0.7269 -0.000000      0.000000  
1 1 1 12 22 1   o 12.760  0.5599 0.1352000      1.120000  
1 1 1 12 22 2   o 11.300  0.6106 -0.8755000E-01 1.221000  
1 1 1 12 22 3   o 12.390  0.5619 -0.7376000     1.124000  
1 1 1 12 22 4   o 8.7470  0.7697 -2.612000      1.539000  
1 1 1 12 22 5   o 13.660  0.5271 -1.443000      1.054000  
1 1 1 12 22 6   o 8.2070  0.8117 -1.088000      1.623000  
1 1 1 12 22 7   o 6.5930  0.9818 -2.072000      1.964000  
1 1 1 12 22 8   o 7.4800  0.8783 1.992000       1.757000  
1 1 1 12 22 9   o 10.080  0.6614 0.5404000      1.323000  
1 1 1 12 22 10  o 9.1390  0.8163 -0.6732000     1.633000  
1 1 1 12 22 11  o 17.410  0.4677 -0.7834000     0.9354000 
1 1 1 12 22 12  o 11.790  0.6005 -2.924000      1.201000  
1 1 1 12 22 13  o 19.750  0.4627 -1.130000      0.9254000 
1 1 1 12 22 14  o 13.140  0.6020 0.8292000      1.204000  
1 1 1 12 22 15  o 7.5560  0.9036 -2.051000      1.807000  
1 1 1 12 22 16  o 7.2080  0.9072 1.239000       1.814000  
1 1 1 12 22 17  f 6.4850  1.0000 1.667000       2.000000  
1 1 1 12 22 18  f 7.7190  0.8935 -2.472000      1.787000  
1 1 1 12 22 19  o 13.850  0.5338 1.171000       1.068000  
1 1 1 12 22 20  f 20.250  0.4683 0.1560000      0.9366000 
1 1 1 12 22 21  o 10.590  0.6598 0.5180000      1.320000  
1 1 1 12 22 22  o 9.3190  0.7538 -1.612000      1.508000  
1 1 1 12 22 23  o 13.240  0.5659 -1.028000      1.132000  
1 1 1 12 22 24  o 7.7430  0.9122 -0.2091000E-01 1.824000  
1 1 1 12 22 25  o 5.7200  1.1080 -0.3508000     2.215000  
1 1 1 12 22 26  f 3.7680  1.0690 -1.127000      2.138000  
1 1 1 12 22 27  o 4.0570  1.1690 -0.5635000     2.338000  
1 1 1 12 22 28  f 7.9060  1.0220 0.4812000      2.043000  
1 1 1 12 22 29  o 14.690  0.6063 0.6142000      1.213000  
1 1 1 12 22 30  o 7.7740  1.0370 -1.047000      2.075000  
1 1 1 12 22 31  o 4.7610  1.1890 -2.272000      2.379000  
1 1 1 12 22 32  o 3.1370  1.0260 -0.7040000     2.052000  
1 1 1 12 22 33  o 4.5370  1.1610 1.720000       2.322000  
1 1 1 12 22 34  o 13.580  0.6720 0.8495000      1.344000  
1 1 1 12 22 35  o 6.6890  1.0480 -6.067000      2.095000  
1 1 1 12 22 36  o 14.120  0.7368 -0.5271000     1.474000  
1 1 1 12 22 37  o 11.210  0.8879 -0.7603000     1.776000  
1 1 1 12 22 38  o 6.2310  1.2590 -3.323000      2.517000  
1 1 1 12 22 39  o 17.020  0.6665 -0.2517000     1.333000  
1 1 1 12 22 40  o 9.9910  1.0130 -1.434000      2.025000  
1 1 1 12 22 41  o 9.4360  1.0860 0.8124000      2.172000  
1 1 1 12 22 42  o 9.4280  1.0710 -0.9868000     2.141000  
1 1 1 12 22 43  o 7.5090  1.2850 -0.4605000     2.570000  
1 1 1 12 22 44  o 4.8270  1.3420 0.1363000      2.685000  
1 1 1 12 22 45  o 3.4330  1.1320 -0.4927000     2.264000  
1 1 1 12 22 46  o 11.660  0.9503 0.7133000      1.901000  
1 1 1 12 22 47  f 9.3930  1.1730 -0.9759000     2.346000  
1 1 1 12 22 48  o 5.3690  1.4140 -0.7002000E-01 2.828000  
1 1 1 12 22 49  o 3.7870  1.2170 -0.2808000E-01 2.434000  
1 1 1 12 22 50  o 5.7130  1.3640 1.727000       2.727000  
1 1 1 12 22 51  o 6.3020  1.3970 -1.132000      2.793000  
1 1 1 12 22 52  o 6.8280  1.4220 -0.3870000     2.845000  
1 1 1 12 22 53  o 3.8020  1.2240 0.1503000      2.448000  
1 1 1 12 22 54  o 3.8160  1.2170 -0.7483000     2.433000  
1 1 1 12 22 55  o 4.6250  1.3430 0.5525000      2.686000  
1 1 1 12 22 56  o 4.0440  1.2580 -0.3640000     2.517000  
1 1 1 12 22 57  o 5.2190  1.3960 0.6311000      2.791000  
1 1 1 12 22 58  o 3.8830  1.2230 -0.3950000     2.447000  
1 1 1 12 22 59  o 4.8980  1.3790 -0.5738000     2.759000  
1 1 1 12 22 60  o 3.4880  1.7750 ?              ?         
1 1 1 12 23 0   o 12.880  1.0010 -0.000000      0.000000  
1 1 1 12 23 1   o 19.410  0.4560 0.8673000      0.9120000 
1 1 1 12 23 2   o 11.820  0.6871 -2.549000      1.374000  
1 1 1 12 23 3   f 7.1350  0.9228 1.634000       1.846000  
1 1 1 12 23 4   o 6.9100  0.9054 -0.8486000     1.811000  
1 1 1 12 23 5   f 6.6060  0.9574 -1.701000      1.915000  
1 1 1 12 23 6   o 5.6500  1.0570 2.022000       2.113000  
1 1 1 12 23 7   o 7.5770  0.8528 0.2987000      1.706000  
1 1 1 12 23 8   f 15.050  0.4951 0.8101000E-01  0.9903000 
1 1 1 12 23 9   o 10.290  0.7139 1.710000       1.428000  
1 1 1 12 23 10  o 8.1370  0.8055 -1.574000      1.611000  
1 1 1 12 23 11  o 13.090  0.5463 -0.2957000     1.093000  
1 1 1 12 23 12  o 7.5970  0.8903 1.836000       1.781000  
1 1 1 12 23 13  o 7.7260  0.8336 0.4908000      1.667000  
1 1 1 12 23 14  o 7.1490  0.9413 0.3714000      1.883000  
1 1 1 12 23 15  o 9.4370  0.7278 -0.1452000     1.456000  
1 1 1 12 23 16  o 17.100  0.5113 -2.554000      1.023000  
1 1 1 12 23 17  o 6.5670  1.1820 -1.221000      2.364000  
1 1 1 12 23 18  o 9.4750  0.7229 -1.695000      1.446000  
1 1 1 12 23 19  o 6.9620  0.9522 -1.437000      1.904000  
1 1 1 12 23 20  o 8.1960  0.8257 -0.3962000E-01 1.651000  
1 1 1 12 23 21  o 7.6490  0.8896 -0.4982000     1.779000  
1 1 1 12 23 22  o 4.2210  1.1040 -0.8455000     2.207000  
1 1 1 12 23 23  o 5.6500  1.1220 -0.1091000     2.245000  
1 1 1 12 23 24  o 9.7480  0.7331 1.128000       1.466000  
1 1 1 12 23 25  o 14.580  0.5461 1.752000       1.092000  
1 1 1 12 23 26  o 6.6070  1.0390 1.155000       2.077000  
1 1 1 12 23 27  o 9.7820  0.7146 -0.8529000     1.429000  
1 1 1 12 23 28  f 6.1840  1.1910 -0.3110000     2.382000  
1 1 1 12 23 29  o 3.6040  1.1170 -0.9988000     2.233000  
1 1 1 12 23 30  o 9.1930  0.9058 -0.6108000     1.812000  
1 1 1 12 23 31  o 5.3710  1.2370 0.2491000      2.474000  
1 1 1 12 23 32  o 9.1650  0.9240 0.4157000      1.848000  
1 1 1 12 23 33  o 9.2840  0.9428 1.115000       1.886000  
1 1 1 12 23 34  o 7.5010  1.1090 -2.301000      2.218000  
1 1 1 12 23 35  o 8.9940  0.9720 -0.7089000     1.944000  
1 1 1 12 23 36  o 3.9830  1.1950 -0.4437000     2.390000  
1 1 1 12 23 37  o 17.690  0.6681 -0.7752000     1.336000  
1 1 1 12 23 38  o 9.2080  1.1240 1.694000       2.247000  
1 1 1 12 23 39  o 3.7460  1.1880 -0.5362000     2.376000  
1 1 1 12 23 40  o 6.3580  1.3560 1.933000       2.712000  
1 1 1 12 23 41  o 4.7330  1.3370 -0.1802000     2.674000  
1 1 1 12 23 42  o 4.3200  1.2920 0.1455000      2.583000  
1 1 1 12 23 43  o 10.280  1.0460 1.292000       2.093000  
1 1 1 12 23 44  o 5.3570  1.3700 -0.2964000     2.741000  
1 1 1 12 23 45  o 7.9250  1.2480 -1.950000      2.495000  
1 1 1 12 23 46  o 3.5980  1.1660 -0.6315000     2.332000  
1 1 1 12 23 47  f 8.3640  1.2490 -0.1882000     2.499000  
1 1 1 12 23 48  o 4.6710  1.3450 -0.3456000     2.690000  
1 1 1 12 23 49  o 4.5840  1.3480 -0.9710000E-01 2.695000  
1 1 1 12 23 50  o 3.1570  1.0750 -0.7201000     2.149000  
1 1 1 12 23 51  o 3.2530  1.1000 -0.1956000     2.199000  
1 1 1 12 23 52  o 5.0830  1.3950 0.6343000      2.789000  
1 1 1 12 23 53  o 4.8990  1.3480 1.274000       2.695000  
1 1 1 12 23 54  o 4.3710  1.3110 -0.2189000     2.622000  
1 1 1 12 23 55  o 7.3260  1.3650 0.3246000      2.729000  
1 1 1 12 23 56  o 6.9320  2.5130 ?              ?         
1 1 1 12 24 0   o 17.510  0.6826 0.000000       0.000000  
1 1 1 12 24 1   o 10.260  0.7459 2.481000       1.492000  
1 1 1 12 24 2   o 6.8030  0.9538 0.8455000      1.908000  
1 1 1 12 24 3   o 13.090  0.6667 5.949000       1.333000  
1 1 1 12 24 4   o 23.210  0.4690 0.2115000      0.9380000 
1 1 1 12 24 5   o 17.660  0.5161 0.8376000      1.032000  
1 1 1 12 24 6   o 11.480  0.6520 -3.176000      1.304000  
1 1 1 12 24 7   o 5.5920  1.0910 1.924000       2.181000  
1 1 1 12 24 8   o 6.8950  0.9558 0.5158000      1.912000  
1 1 1 12 24 9   o 13.750  0.5289 0.1023000      1.058000  
1 1 1 12 24 10  o 13.730  0.5560 1.775000       1.112000  
1 1 1 12 24 11  o 18.840  0.4676 -0.8394000     0.9353000 
1 1 1 12 24 12  o 13.720  0.5387 -0.6247000     1.077000  
1 1 1 12 24 13  o 10.720  0.6587 -0.7677000     1.317000  
1 1 1 12 24 14  o 12.510  0.5598 -1.348000      1.120000  
1 1 1 12 24 15  o 10.890  0.6217 0.6771000      1.243000  
1 1 1 12 24 16  o 5.2730  1.1180 0.8249000      2.237000  
1 1 1 12 24 17  o 5.4940  1.0940 -1.609000      2.189000  
1 1 1 12 24 18  o 8.3190  0.8209 -0.7359000     1.642000  
1 1 1 12 24 19  o 10.570  0.6421 0.5988000      1.284000  
1 1 1 12 24 20  f 3.8840  1.1030 -0.4302000     2.207000  
1 1 1 12 24 21  o 8.4110  0.8654 2.288000       1.731000  
1 1 1 12 24 22  o 13.670  0.5525 -1.027000      1.105000  
1 1 1 12 24 23  o 5.8720  1.1110 1.076000       2.222000  
1 1 1 12 24 24  o 5.0120  1.1520 0.5645000      2.304000  
1 1 1 12 24 25  o 3.3890  1.0500 0.4881000      2.100000  
1 1 1 12 24 26  o 8.0550  0.9111 0.9927000      1.822000  
1 1 1 12 24 27  o 8.1600  0.8844 0.1073000      1.769000  
1 1 1 12 24 28  o 10.350  0.7093 0.2383000      1.419000  
1 1 1 12 24 29  o 5.1140  1.2340 0.9837000      2.468000  
1 1 1 12 24 30  o 8.4630  1.0210 0.6268000      2.042000  
1 1 1 12 24 31  o 3.4110  1.0860 -1.004000      2.173000  
1 1 1 12 24 32  o 5.1620  1.2530 -0.7537000     2.507000  
1 1 1 12 24 33  o 11.450  0.7573 0.3941000      1.515000  
1 1 1 12 24 34  o 6.0940  1.1950 -3.059000      2.391000  
1 1 1 12 24 35  f 3.5320  1.1100 -1.029000      2.221000  
1 1 1 12 24 36  o 5.1280  1.2790 -0.4980000     2.558000  
1 1 1 12 24 37  o 3.2100  1.0570 -0.5521000     2.114000  
1 1 1 12 24 38  o 3.9370  1.1930 -1.736000      2.387000  
1 1 1 12 24 39  o 6.3010  1.3530 -0.3345000     2.705000  
1 1 1 12 24 40  o 3.8730  1.2120 0.4707000      2.423000  
1 1 1 12 24 41  o 3.6220  1.1720 -0.3596000     2.344000  
1 1 1 12 24 42  o 4.9580  1.3430 -1.359000      2.686000  
1 1 1 12 24 43  o 6.6330  1.3840 0.9329000      2.767000  
1 1 1 12 24 44  o 3.5770  1.1740 0.6305000E-01  2.347000  
1 1 1 12 24 45  o 3.5890  1.1640 -1.207000      2.327000  
1 1 1 12 24 46  o 5.2710  1.3740 -0.7804000     2.747000  
1 1 1 12 24 47  o 4.2350  1.2780 0.2656000      2.556000  
1 1 1 12 24 48  o 4.0360  1.2350 1.002000       2.470000  
1 1 1 12 24 49  f 3.2650  1.0900 -0.2753000     2.180000  
1 1 1 12 24 50  o 5.1900  1.3000 -2.876000      2.600000  
1 1 1 12 24 51  o 4.9000  1.3090 -2.796000      2.619000  
1 1 1 12 24 52  o 3.2360  1.6210 ?              ?         
1 1 1 12 25 0   o 16.130  0.7342 0.000000       0.000000  
1 1 1 12 25 1   o 12.700  0.5793 -0.3982000     1.159000  
1 1 1 12 25 2   o 18.720  0.4798 -0.4058000     0.9596000 
1 1 1 12 25 3   o 10.850  0.7718 -0.7078000     1.544000  
1 1 1 12 25 4   o 7.6800  0.9255 2.394000       1.851000  
1 1 1 12 25 5   o 10.240  0.6720 0.3839000      1.344000  
1 1 1 12 25 6   o 13.060  0.5744 0.6221000      1.149000  
1 1 1 12 25 7   o 13.270  0.5659 -0.5020000     1.132000  
1 1 1 12 25 8   o 8.7950  0.7864 -1.121000      1.573000  
1 1 1 12 25 9   o 5.1960  1.1210 -0.5831000     2.242000  
1 1 1 12 25 10  o 8.5450  0.7949 -0.4936000     1.590000  
1 1 1 12 25 11  o 5.5240  1.0940 -0.7673000     2.189000  
1 1 1 12 25 12  o 5.4360  1.1300 -0.6806000     2.260000  
1 1 1 12 25 13  o 4.5360  1.1170 -0.8557000     2.234000  
1 1 1 12 25 14  o 3.9140  1.0800 -0.8301000     2.159000  
1 1 1 12 25 15  o 4.7310  1.1100 -1.761000      2.220000  
1 1 1 12 25 16  o 9.3840  0.7643 -1.102000      1.529000  
1 1 1 12 25 17  o 12.630  0.5875 -0.1653000     1.175000  
1 1 1 12 25 18  o 14.170  0.5395 1.205000       1.079000  
1 1 1 12 25 19  o 11.220  0.6667 1.419000       1.333000  
1 1 1 12 25 20  o 9.1770  0.8194 -2.223000      1.639000  
1 1 1 12 25 21  o 10.930  0.6778 -1.163000      1.356000  
1 1 1 12 25 22  o 5.5600  1.0830 1.463000       2.167000  
1 1 1 12 25 23  o 6.8990  1.0170 1.638000       2.035000  
1 1 1 12 25 24  o 4.1740  1.1370 0.7098000      2.273000  
1 1 1 12 25 25  o 3.7260  1.0910 -0.6183000     2.182000  
1 1 1 12 25 26  o 11.460  0.6621 -0.6950000     1.324000  
1 1 1 12 25 27  f 8.8490  0.8231 0.8381000E-01  1.646000  
1 1 1 12 25 28  o 3.3470  1.0080 1.529000       2.015000  
1 1 1 12 25 29  o 7.5920  0.9654 0.5932000      1.931000  
1 1 1 12 25 30  o 6.9670  1.1760 -0.2529000     2.352000  
1 1 1 12 25 31  o 8.7960  0.9527 -0.8997000     1.905000  
1 1 1 12 25 32  o 4.6220  1.2460 0.2921000      2.491000  
1 1 1 12 25 33  o 9.4730  1.0260 4.055000       2.053000  
1 1 1 12 25 34  o 7.5260  1.1030 -1.730000      2.205000  
1 1 1 12 25 35  o 3.5380  1.1060 0.3832000      2.212000  
1 1 1 12 25 36  o 4.0470  1.1820 -2.171000      2.364000  
1 1 1 12 25 37  o 3.2270  1.0570 -0.4540000     2.114000  
1 1 1 12 25 38  o 3.7190  1.1500 0.6634000E-01  2.300000  
1 1 1 12 25 39  o 3.2260  1.0810 0.7748000      2.162000  
1 1 1 12 25 40  o 8.1460  1.2300 1.808000       2.460000  
1 1 1 12 25 41  o 5.4520  1.2930 -2.752000      2.587000  
1 1 1 12 25 42  o 4.1300  1.2590 -0.9427000     2.519000  
1 1 1 12 25 43  o 4.0870  1.2570 0.4295000      2.514000  
1 1 1 12 25 44  o 5.0670  1.3210 -1.739000      2.643000  
1 1 1 12 25 45  o 3.4380  1.1360 -0.1336000     2.271000  
1 1 1 12 25 46  o 4.0430  1.3000 0.4850000      2.600000  
1 1 1 12 25 47  o 3.0550  1.4720 ?              ?         
1 1 1 12 25 48  o 5.1290  2.4040 ?              ?         
1 1 1 12 26 0   o 6.6470  1.6800 0.000000       0.000000  
1 1 1 12 26 1   f 8.8170  0.8115 -1.147000      1.623000  
1 1 1 12 26 2   o 11.070  0.6431 -1.659000      1.286000  
1 1 1 12 26 3   o 11.230  0.6449 0.4925000      1.290000  
1 1 1 12 26 4   o 11.320  0.6576 -1.201000      1.315000  
1 1 1 12 26 5   o 7.6360  0.9507 -0.9059000     1.901000  
1 1 1 12 26 6   o 7.0210  0.9993 -0.7439000E-01 1.999000  
1 1 1 12 26 7   o 7.7890  0.9160 -2.266000      1.832000  
1 1 1 12 26 8   o 11.870  0.6350 -0.8754000     1.270000  
1 1 1 12 26 9   o 6.4610  1.0840 0.4523000      2.169000  
1 1 1 12 26 10  o 6.3780  1.0660 0.7580000      2.131000  
1 1 1 12 26 11  o 5.8580  1.0890 1.245000       2.177000  
1 1 1 12 26 12  o 4.8490  1.0950 1.944000       2.190000  
1 1 1 12 26 13  o 5.1720  1.1490 -0.5647000E-01 2.298000  
1 1 1 12 26 14  o 5.5920  1.1350 0.4779000      2.271000  
1 1 1 12 26 15  o 5.8900  1.0890 0.6206000      2.177000  
1 1 1 12 26 16  o 4.2020  1.1210 -0.2440000     2.243000  
1 1 1 12 26 17  o 4.6560  1.0510 -2.769000      2.102000  
1 1 1 12 26 18  f 4.9770  1.1000 2.242000       2.200000  
1 1 1 12 26 19  f 3.7820  1.1090 -0.6171000E-01 2.218000  
1 1 1 12 26 20  o 8.1920  0.8910 -0.6271000     1.782000  
1 1 1 12 26 21  o 6.0690  1.0550 -1.984000      2.111000  
1 1 1 12 26 22  o 4.0590  1.1050 1.115000       2.211000  
1 1 1 12 26 23  o 7.4990  0.9860 2.597000       1.972000  
1 1 1 12 26 24  o 4.7150  1.1020 2.435000       2.203000  
1 1 1 12 26 25  o 7.1370  1.0370 -2.080000      2.074000  
1 1 1 12 26 26  o 4.1040  1.1120 1.375000       2.223000  
1 1 1 12 26 27  o 3.8410  1.1130 0.3645000      2.226000  
1 1 1 12 26 28  o 3.9120  1.1270 0.1946000      2.254000  
1 1 1 12 26 29  o 4.5490  1.1600 0.4834000      2.321000  
1 1 1 12 26 30  o 3.6850  1.1040 -0.1204000     2.208000  
1 1 1 12 26 31  o 5.7170  1.2690 -1.011000      2.538000  
1 1 1 12 26 32  f 6.2440  1.2420 -1.325000      2.484000  
1 1 1 12 26 33  o 5.4980  1.1790 -3.989000      2.358000  
1 1 1 12 26 34  o 3.8120  1.1520 0.1063000      2.304000  
1 1 1 12 26 35  o 4.7880  1.2810 -0.3223000E-01 2.562000  
1 1 1 12 26 36  o 4.6860  1.2520 0.3330000      2.504000  
1 1 1 12 26 37  o 3.5400  1.1270 -0.2369000     2.253000  
1 1 1 12 26 38  o 3.8830  1.1670 0.6385000      2.334000  
1 1 1 12 26 39  o 3.7440  1.1600 -0.3585000     2.319000  
1 1 1 12 26 40  o 3.6040  1.1610 0.1317000E-01  2.321000  
1 1 1 12 26 41  o 5.1140  1.8710 ?              ?         
1 1 1 12 26 42  o 3.6910  1.8420 ?              ?         
1 1 1 12 27 0   o 6.6820  1.7220 -0.000000      0.000000  
1 1 1 12 27 1   o 7.3260  1.0120 -2.092000      2.024000  
1 1 1 12 27 2   o 11.250  0.6458 -0.9576000     1.292000  
1 1 1 12 27 3   o 8.3730  0.8557 -0.2031000     1.711000  
1 1 1 12 27 4   o 7.1780  0.9624 0.6048000      1.925000  
1 1 1 12 27 5   o 3.6610  1.0680 1.523000       2.137000  
1 1 1 12 27 6   o 4.7430  1.1570 0.6776000      2.315000  
1 1 1 12 27 7   o 4.5680  1.1610 0.6239000E-01  2.321000  
1 1 1 12 27 8   o 3.6140  1.0570 1.536000       2.114000  
1 1 1 12 27 9   o 4.9660  1.1390 -1.098000      2.279000  
1 1 1 12 27 10  o 5.9400  1.0770 -2.682000      2.154000  
1 1 1 12 27 11  o 6.3470  1.0890 -0.2967000     2.178000  
1 1 1 12 27 12  o 5.7720  1.0240 -4.130000      2.048000  
1 1 1 12 27 13  o 4.1470  1.1240 -0.1301000     2.248000  
1 1 1 12 27 14  o 6.3970  1.0690 0.8047000      2.138000  
1 1 1 12 27 15  o 6.9890  1.0110 0.3832000      2.022000  
1 1 1 12 27 16  o 3.9310  1.1280 -0.5690000E-02 2.256000  
1 1 1 12 27 17  o 5.2330  1.2060 0.1970000      2.412000  
1 1 1 12 27 18  o 11.980  0.6352 -0.5681000     1.270000  
1 1 1 12 27 19  o 13.300  0.5961 1.354000       1.192000  
1 1 1 12 27 20  o 7.4960  0.9466 0.4628000      1.893000  
1 1 1 12 27 21  o 5.9930  1.1370 0.4642000      2.274000  
1 1 1 12 27 22  o 9.2450  0.8102 -0.6816000     1.620000  
1 1 1 12 27 23  o 5.6520  1.1400 1.554000       2.280000  
1 1 1 12 27 24  o 3.0920  1.0020 -0.5296000     2.004000  
1 1 1 12 27 25  o 7.5460  0.9988 -1.533000      1.998000  
1 1 1 12 27 26  o 4.0260  1.1050 2.446000       2.211000  
1 1 1 12 27 27  o 3.0390  0.9887 -0.1493000     1.977000  
1 1 1 12 27 28  o 3.3740  1.0570 -0.7666000     2.114000  
1 1 1 12 27 29  o 6.8670  1.1210 -0.9316000     2.243000  
1 1 1 12 27 30  f 5.6100  1.1950 -1.793000      2.390000  
1 1 1 12 27 31  o 6.6750  1.1540 -0.8621000     2.308000  
1 1 1 12 27 32  o 10.410  0.8269 -1.190000      1.654000  
1 1 1 12 27 33  f 4.1670  1.2030 0.2215000      2.407000  
1 1 1 12 27 34  o 6.2860  1.6880 -2.359000      3.376000  
1 1 1 12 28 0   o 11.420  0.9605 0.000000       0.000000  
1 1 1 12 28 1   o 6.8420  1.0520 2.623000       2.105000  
1 1 1 12 28 2   o 4.4450  1.1460 0.4812000      2.293000  
1 1 1 12 28 3   o 4.9820  1.1550 0.3963000E-02  2.311000  
1 1 1 12 28 4   o 4.8080  1.1390 -0.8311000     2.279000  
1 1 1 12 28 5   o 7.5990  0.9519 1.339000       1.904000  
1 1 1 12 28 6   o 12.630  0.6088 -0.2947000     1.218000  
1 1 1 12 28 7   o 6.1460  1.1580 1.172000       2.317000  
1 1 1 12 28 8   o 8.9230  0.8232 -0.9059000E-01 1.646000  
1 1 1 12 28 9   o 6.0540  1.1370 -0.1710000     2.275000  
1 1 1 12 28 10  o 5.1880  1.1470 1.196000       2.293000  
1 1 1 12 28 11  o 4.4870  1.1720 0.3355000      2.344000  
1 1 1 12 28 12  o 8.1410  0.9138 0.1448000      1.828000  
1 1 1 12 28 13  o 9.6570  0.7833 -0.7906000     1.567000  
1 1 1 12 28 14  o 4.2960  1.1570 -0.5248000E-01 2.314000  
1 1 1 12 28 15  o 3.5180  1.0730 -0.5463000     2.145000  
1 1 1 12 28 16  f 3.0930  0.9801 -1.063000      1.960000  
1 1 1 12 28 17  o 3.3430  1.0460 0.4597000      2.091000  
1 1 1 12 28 18  o 3.7830  1.0920 1.155000       2.184000  
1 1 1 12 28 19  o 8.9700  0.8405 1.176000       1.681000  
1 1 1 12 28 20  o 8.5310  0.8665 -1.374000      1.733000  
1 1 1 12 28 21  o 3.1550  1.0170 0.1440000      2.033000  
1 1 1 12 28 22  o 4.3570  1.1620 -0.4526000     2.323000  
1 1 1 12 28 23  o 5.5550  1.1970 0.4582000      2.394000  
1 1 1 12 28 24  o 6.7080  1.5410 -2.972000      3.082000  
1 1 1 12 28 25  o 4.5620  1.4090 -0.6791000     2.819000  
1 1 1 12 28 26  o 3.8720  1.9400 ?              ?         
1 1 1 12 28 27  o 4.9760  2.3940 ?              ?         
1 1 1 12 29 0   f 5.4460  2.0440 0.000000       0.000000  
1 1 1 12 29 1   o 7.5630  1.0200 1.126000       2.039000  
1 1 1 12 29 2   o 6.2020  1.1200 -2.335000      2.241000  
1 1 1 12 29 3   o 4.4030  1.1960 -0.5417000     2.393000  
1 1 1 12 29 4   o 4.6790  1.1790 -1.751000      2.358000  
1 1 1 12 29 5   o 5.3580  1.1910 1.490000       2.382000  
1 1 1 12 29 6   o 5.1520  1.2120 2.003000       2.424000  
1 1 1 12 29 7   o 4.1680  1.2000 -2.313000      2.401000  
1 1 1 12 29 8   o 7.0820  1.2790 3.930000       2.557000  
1 1 1 12 29 9   o 4.0870  2.0080 ?              ?         
1 1 1 12 29 10  o 3.5540  1.7900 ?              ?         
1 1 1 12 29 11  o 3.1600  1.6050 ?              ?         
1 1 1 12 29 12  o 3.4060  1.7060 ?              ?         
1 1 1 12 29 13  f 3.8050  1.8850 ?              ?         
1 1 1 13 0  1   o 34.170  0.9614 0.000000       0.000000  
1 1 1 13 0  2   o 16.900  0.7532 0.000000       0.000000  
1 1 1 13 0  3   o 5.4190  1.0660 0.000000       0.000000  
1 1 1 13 0  4   o 15.690  0.7038 0.000000       0.000000  
1 1 1 13 0  5   o 21.220  0.8741 0.000000       0.000000  
1 1 1 13 0  6   o 49.690  1.9630 -0.000000      0.000000  
1 1 1 13 0  7   o 31.360  1.2470 0.000000       0.000000  
1 1 1 13 0  8   o 18.580  0.7723 0.000000       0.000000  
1 1 1 13 0  9   o 21.690  0.8870 0.000000       0.000000  
1 1 1 13 0  10  o 24.920  1.0090 0.000000       0.000000  
1 1 1 13 0  11  o 11.490  0.6683 0.000000       0.000000  
1 1 1 13 0  12  o 58.780  2.3340 0.000000       0.000000  
1 1 1 13 0  13  o 38.060  1.5190 0.000000       0.000000  
1 1 1 13 0  15  o 1.2610  0.8459 0.000000       0.000000  
1 1 1 13 0  20  o 37.730  1.0640 0.000000       0.000000  
1 1 1 13 0  21  f 26.300  0.7702 0.000000       0.000000  
1 1 1 13 0  22  o 20.240  0.8534 0.000000       0.000000  
1 1 1 13 0  23  o 8.9820  0.7354 0.000000       0.000000  
1 1 1 13 0  24  o 12.910  0.7269 0.000000       0.000000  
1 1 1 13 0  25  o 23.840  1.0010 0.000000       0.000000  
1 1 1 13 0  26  o 16.770  0.8137 0.000000       0.000000  
1 1 1 13 0  27  o 9.0620  0.9869 0.000000       0.000000  
1 1 1 13 0  28  o 66.610  2.6420 0.000000       0.000000  
1 1 1 13 0  29  o 80.510  3.2070 0.000000       0.000000  
1 1 1 13 0  30  o 16.750  0.9282 0.000000       0.000000  
1 1 1 13 0  31  o 13.240  0.9965 0.000000       0.000000  
1 1 1 13 0  32  f 51.650  2.0620 0.000000       0.000000  
1 1 1 13 0  33  o 8.3160  1.6690 0.000000       0.000000  
1 1 1 13 0  34  o 17.520  1.0370 0.000000       0.000000  
1 1 1 13 0  36  o 25.270  1.1930 0.000000       0.000000  
1 1 1 13 0  37  o 8.5920  2.2930 0.000000       0.000000  
1 1 1 13 0  38  f 22.470  1.2410 0.000000       0.000000  
1 1 1 13 0  39  o 19.280  1.3010 0.000000       0.000000  
1 1 1 13 0  40  o 20.250  1.3000 0.000000       0.000000  
1 1 1 13 0  41  o 6.0810  2.8550 0.000000       0.000000  
1 1 1 13 0  42  f 17.230  1.4330 0.000000       0.000000  
1 1 1 13 0  43  o 11.650  2.0680 0.000000       0.000000  
1 1 1 13 0  44  o 58.720  2.3980 0.000000       0.000000  
1 1 1 13 0  45  o 23.350  1.4300 0.000000       0.000000  
1 1 1 13 0  46  o 41.670  1.7980 0.000000       0.000000  
1 1 1 13 0  47  o 11.380  2.6180 0.000000       0.000000  
1 1 1 13 0  48  o 6.1850  3.1950 0.000000       0.000000  
1 1 1 13 0  49  o 7.9350  3.3780 0.000000       0.000000  
1 1 1 13 0  50  o 14.040  2.4210 0.000000       0.000000  
1 1 1 13 0  51  f 4.6190  2.9540 0.000000       0.000000  
1 1 1 13 0  52  o 32.620  1.7120 0.000000       0.000000  
1 1 1 13 0  53  o 29.760  1.7050 0.000000       0.000000  
1 1 1 13 0  54  o 7.9820  3.6490 0.000000       0.000000  
1 1 1 13 0  55  o 36.740  1.8000 0.000000       0.000000  
1 1 1 13 0  56  o 37.700  1.8820 0.000000       0.000000  
1 1 1 13 0  57  o 17.790  2.2350 0.000000       0.000000  
1 1 1 13 0  58  o 4.1890  2.8750 0.000000       0.000000  
1 1 1 13 0  59  o 3.4260  2.4340 -0.000000      0.000000  
1 1 1 13 0  60  o 8.4080  3.8620 0.000000       0.000000  
1 1 1 13 0  61  o 5.5620  3.4120 0.000000       0.000000  
1 1 1 13 0  62  o 8.1910  4.1110 0.000000       0.000000  
1 1 1 13 0  63  o 4.7180  3.1230 0.000000       0.000000  
1 1 1 13 0  64  o 10.570  4.1330 0.000000       0.000000  
1 1 1 13 0  65  o 5.3800  3.4070 0.000000       0.000000  
1 1 1 13 0  66  o 9.8010  4.3870 0.000000       0.000000  
1 1 1 13 0  67  o 5.2190  3.4780 -0.000000      0.000000  
1 1 1 13 0  68  o 10.300  4.4150 0.000000       0.000000  
1 1 1 13 0  69  o 6.5840  3.9490 -0.000000      0.000000  
1 1 1 13 0  70  o 8.2750  4.2790 -0.000000      0.000000  
1 1 1 13 0  71  f 4.8580  3.2950 0.000000       0.000000  
1 1 1 13 0  72  o 4.5380  3.1420 0.000000       0.000000  
1 1 1 13 0  73  o 5.6850  3.7290 0.000000       0.000000  
1 1 1 13 0  74  o 4.3970  3.0850 -0.000000      0.000000  
1 1 1 13 0  75  o 9.2360  4.6070 0.000000       0.000000  
1 1 1 13 0  76  o 6.0190  3.8460 0.000000       0.000000  
1 1 1 13 0  77  o 4.9290  3.3150 0.000000       0.000000  
1 1 1 13 0  78  o 7.4090  4.1000 0.000000       0.000000  
1 1 1 13 0  79  f 4.1210  2.8810 0.000000       0.000000  
1 1 1 13 0  80  o 3.1490  2.2990 -0.000000      0.000000  
1 1 1 13 0  81  o 4.5280  3.0960 0.000000       0.000000  
1 1 1 13 0  82  f 4.1080  2.8870 0.000000       0.000000  
1 1 1 13 0  83  o 3.7360  2.6630 0.000000       0.000000  
1 1 1 13 0  84  o 3.3090  2.3850 0.000000       0.000000  
1 1 1 13 0  85  o 4.0790  2.8340 0.000000       0.000000  
1 1 1 13 0  86  o 4.2140  2.8230 0.000000       0.000000  
1 1 1 13 0  87  o 3.3340  2.2830 0.000000       0.000000  
1 1 1 13 1  0   f 16.230  0.7808 -0.000000      0.000000  
1 1 1 13 1  1   o 44.550  1.2500 0.9216000      2.500000  
1 1 1 13 1  2   o 61.810  1.4870 2.916000       2.975000  
1 1 1 13 1  3   o 50.960  1.2560 -5.130000      2.512000  
1 1 1 13 1  4   o 42.550  1.1900 -0.8646000     2.381000  
1 1 1 13 1  5   o 51.660  1.4470 -0.9051000     2.895000  
1 1 1 13 1  6   o 64.930  1.8350 -1.228000      3.671000  
1 1 1 13 1  7   o 35.840  1.0060 -0.4820000     2.012000  
1 1 1 13 1  8   o 27.760  0.7855 0.7178000      1.571000  
1 1 1 13 1  9   o 32.790  0.9274 0.7796000      1.855000  
1 1 1 13 1  10  f 23.920  0.6934 -0.5082000     1.387000  
1 1 1 13 1  11  o 43.920  1.7350 ?              ?         
1 1 1 13 1  12  o 36.970  1.0390 2.811000       2.078000  
1 1 1 13 1  13  o 29.690  0.8418 -0.9225000     1.684000  
1 1 1 13 1  14  o 28.000  0.8005 1.246000       1.601000  
1 1 1 13 1  15  f 26.550  0.7638 -0.9683000     1.528000  
1 1 1 13 1  16  o 55.110  1.5430 1.326000       3.087000  
1 1 1 13 1  17  o 22.370  0.6809 6.744000       1.362000  
1 1 1 13 1  18  f 23.390  0.6927 -1.520000      1.385000  
1 1 1 13 1  19  o 39.540  1.1120 -2.327000      2.224000  
1 1 1 13 1  20  o 37.010  1.4620 ?              ?         
1 1 1 13 1  21  o 35.350  1.3990 ?              ?         
1 1 1 13 1  22  o 17.100  0.4984 4.309000       0.9969000 
1 1 1 13 1  23  o 26.420  0.6552 -2.594000      1.310000  
1 1 1 13 1  24  o 13.560  0.4935 3.939000       0.9871000 
1 1 1 13 1  25  o 27.570  0.6939 -0.5169000     1.388000  
1 1 1 13 1  26  o 35.230  0.8604 -2.452000      1.721000  
1 1 1 13 1  27  f 65.210  1.5760 -3.576000      3.152000  
1 1 1 13 1  28  o 45.540  1.1210 2.362000       2.243000  
1 1 1 13 1  29  o 17.670  0.5784 -1.075000      1.157000  
1 1 1 13 1  30  o 84.390  2.4250 -3.865000      4.850000  
1 1 1 13 1  31  o 45.070  1.8060 ?              ?         
1 1 1 13 1  32  o 25.010  0.7903 -0.6284000E-01 1.581000  
1 1 1 13 1  33  o 5.4370  1.3060 -1.437000      2.612000  
1 1 1 13 1  34  o 36.850  1.0770 0.7237000      2.154000  
1 1 1 13 1  35  o 31.680  0.9629 1.459000       1.926000  
1 1 1 13 1  36  o 8.9950  1.2480 -0.6913000     2.496000  
1 1 1 13 1  37  o 11.380  1.0720 -1.926000      2.144000  
1 1 1 13 1  38  f 27.170  0.9035 1.164000       1.807000  
1 1 1 13 1  39  o 5.6520  2.1820 ?              ?         
1 1 1 13 1  40  o 19.090  0.9132 0.4000000      1.826000  
1 1 1 13 1  41  o 23.940  0.9205 -0.4878000     1.841000  
1 1 1 13 1  42  o 60.560  1.7530 0.7297000      3.507000  
1 1 1 13 1  43  o 12.420  1.3370 1.015000       2.673000  
1 1 1 13 1  44  o 30.270  1.0370 -0.3736000     2.074000  
1 1 1 13 1  45  o 13.280  1.3410 1.133000       2.681000  
1 1 1 13 1  46  o 30.670  1.0670 0.7844000      2.135000  
1 1 1 13 1  47  o 7.4720  1.8680 1.631000       3.737000  
1 1 1 13 1  48  o 13.800  1.4390 0.4711000      2.878000  
1 1 1 13 1  49  o 16.180  1.3040 0.5460000      2.608000  
1 1 1 13 1  50  o 13.730  1.5420 4.032000       3.085000  
1 1 1 13 1  51  o 9.9040  2.0020 1.320000       4.004000  
1 1 1 13 1  52  o 8.2120  1.9550 3.492000       3.910000  
1 1 1 13 1  53  o 12.670  1.8410 -3.031000      3.681000  
1 1 1 13 1  54  o 19.710  1.3330 1.388000       2.666000  
1 1 1 13 1  55  o 8.7150  2.1590 -0.5564000     4.319000  
1 1 1 13 1  56  o 12.260  2.0260 -1.534000      4.053000  
1 1 1 13 1  57  f 20.200  1.4010 -1.703000      2.802000  
1 1 1 13 1  58  o 7.0070  2.0570 1.708000       4.114000  
1 1 1 13 1  59  f 7.2980  2.1350 0.1201000      4.269000  
1 1 1 13 1  60  o 19.170  1.5360 1.775000       3.071000  
1 1 1 13 1  61  o 7.4890  2.1390 0.5705000      4.277000  
1 1 1 13 1  62  o 17.530  1.7330 2.280000       3.466000  
1 1 1 13 1  63  o 8.6120  2.2920 1.221000       4.584000  
1 1 1 13 1  64  o 9.5010  2.3670 1.165000       4.733000  
1 1 1 13 1  65  o 9.2020  2.4130 -0.2757000     4.827000  
1 1 1 13 1  66  o 7.7140  2.3170 0.8433000      4.634000  
1 1 1 13 1  67  o 6.6290  2.1360 1.184000       4.272000  
1 1 1 13 1  68  o 7.5590  2.3330 -0.7128000     4.666000  
1 1 1 13 1  69  o 7.5880  2.3310 -2.082000      4.663000  
1 1 1 13 1  70  o 7.7480  2.3800 -2.143000      4.760000  
1 1 1 13 1  71  o 8.3580  2.4610 2.569000       4.923000  
1 1 1 13 1  72  o 7.8680  2.4260 1.287000       4.853000  
1 1 1 13 1  73  o 7.3560  2.3250 2.514000       4.649000  
1 1 1 13 1  74  o 8.7520  2.5640 -3.270000      5.128000  
1 1 1 13 1  75  o 6.8300  2.2590 0.2846000      4.518000  
1 1 1 13 1  76  o 6.0760  2.0600 0.3364000      4.121000  
1 1 1 13 1  77  o 6.4500  2.1120 -1.355000      4.223000  
1 1 1 13 1  78  o 6.8390  2.1740 1.288000       4.348000  
1 1 1 13 1  79  o 5.8400  1.9770 0.9052000      3.954000  
1 1 1 13 1  80  f 6.6440  2.1470 0.5767000      4.295000  
1 1 1 13 1  81  o 5.4160  1.8750 -0.2190000     3.750000  
1 1 1 13 1  82  o 4.7100  1.6680 -0.1730000     3.337000  
1 1 1 13 1  83  o 5.7840  1.9350 -1.163000      3.869000  
1 1 1 13 1  84  f 4.8670  1.6860 0.8452000      3.372000  
1 1 1 13 1  85  o 5.2810  1.7960 -1.289000      3.593000  
1 1 1 13 1  86  o 4.3970  1.5170 -0.3824000     3.034000  
1 1 1 13 1  87  o 4.0530  1.3770 -0.1623000     2.754000  
1 1 1 13 2  0   o 18.470  0.8439 0.000000       0.000000  
1 1 1 13 2  1   o 38.770  1.0940 2.522000       2.188000  
1 1 1 13 2  2   o 40.850  0.9857 2.515000       1.971000  
1 1 1 13 2  3   f 13.520  0.5248 -8.683000      1.050000  
1 1 1 13 2  4   o 35.080  0.7835 4.494000       1.567000  
1 1 1 13 2  5   o 28.370  0.6676 -1.219000      1.335000  
1 1 1 13 2  6   o 37.520  0.8569 0.8497000      1.714000  
1 1 1 13 2  7   o 66.100  2.6300 ?              ?         
1 1 1 13 2  8   o 55.570  2.2010 ?              ?         
1 1 1 13 2  9   o 60.160  1.7040 15.86000       3.408000  
1 1 1 13 2  10  o 44.920  1.2610 -8.426000      2.523000  
1 1 1 13 2  11  o 35.850  1.0060 0.7149000      2.011000  
1 1 1 13 2  12  o 29.780  0.8456 -3.766000      1.691000  
1 1 1 13 2  13  o 49.730  1.3940 4.020000       2.788000  
1 1 1 13 2  14  o 23.060  0.6782 -2.804000      1.356000  
1 1 1 13 2  15  o 17.670  0.5679 0.9426000      1.136000  
1 1 1 13 2  16  o 17.450  0.5674 0.3226000      1.135000  
1 1 1 13 2  17  o 35.950  1.0130 -1.646000      2.025000  
1 1 1 13 2  18  o 36.710  1.0340 -1.690000      2.069000  
1 1 1 13 2  19  o 12.980  0.7844 10.71000       1.569000  
1 1 1 13 2  20  o 42.400  1.1940 -4.686000      2.387000  
1 1 1 13 2  21  o 51.320  1.4400 -2.833000      2.880000  
1 1 1 13 2  22  f 45.650  1.8030 ?              ?         
1 1 1 13 2  23  o 37.700  1.4960 ?              ?         
1 1 1 13 2  24  o 60.020  1.4260 -7.459000      2.852000  
1 1 1 13 2  25  o 36.530  0.9223 5.421000       1.845000  
1 1 1 13 2  26  o 31.200  0.7717 -2.375000      1.543000  
1 1 1 13 2  27  o 15.830  0.7308 4.011000       1.462000  
1 1 1 13 2  28  o 33.920  0.8378 -2.415000      1.676000  
1 1 1 13 2  29  o 22.360  0.6258 0.2260000      1.252000  
1 1 1 13 2  30  o 21.950  0.6295 0.9749000      1.259000  
1 1 1 13 2  31  o 23.970  0.6665 -1.592000      1.333000  
1 1 1 13 2  32  o 56.680  1.3750 -2.819000      2.750000  
1 1 1 13 2  33  f 10.760  1.0160 9.051000       2.032000  
1 1 1 13 2  34  o 29.070  0.7885 0.8888000      1.577000  
1 1 1 13 2  35  o 14.170  0.7539 1.148000       1.508000  
1 1 1 13 2  36  o 18.940  1.1100 ?              ?         
1 1 1 13 2  37  f 44.790  1.2940 0.2856000      2.588000  
1 1 1 13 2  38  f 18.510  0.8753 2.385000       1.751000  
1 1 1 13 2  39  o 38.750  1.1540 1.525000       2.308000  
1 1 1 13 2  40  o 38.330  1.1560 -0.1331000     2.311000  
1 1 1 13 2  41  o 27.400  0.9615 2.393000       1.923000  
1 1 1 13 2  42  o 48.740  1.6390 -47.00000      3.278000  
1 1 1 13 2  43  o 12.700  1.2590 3.601000       2.518000  
1 1 1 13 2  44  o 25.350  1.3890 ?              ?         
1 1 1 13 2  45  o 26.540  1.0010 -2.182000      2.003000  
1 1 1 13 2  46  o 22.090  1.0350 -0.6232000     2.070000  
1 1 1 13 2  47  o 6.5250  1.7410 1.796000       3.482000  
1 1 1 13 2  48  o 10.030  1.8020 2.151000       3.605000  
1 1 1 13 2  49  o 9.9870  1.8080 -3.658000      3.615000  
1 1 1 13 2  50  o 7.5950  1.9350 -0.3158000     3.870000  
1 1 1 13 2  51  o 9.4420  1.9860 -1.222000      3.973000  
1 1 1 13 2  52  o 12.350  1.8140 -1.675000      3.629000  
1 1 1 13 2  53  o 34.120  1.2080 1.636000       2.416000  
1 1 1 13 2  54  o 19.120  1.3340 -1.083000      2.668000  
1 1 1 13 2  55  o 15.520  1.6460 0.5685000      3.291000  
1 1 1 13 2  56  o 8.0290  2.0780 -3.387000      4.156000  
1 1 1 13 2  57  o 7.5780  2.0440 -3.088000      4.089000  
1 1 1 13 2  58  o 13.470  2.0120 0.8222000E-01  4.024000  
1 1 1 13 2  59  o 7.4600  2.1210 0.6805000      4.242000  
1 1 1 13 2  60  o 13.230  2.0440 1.953000       4.088000  
1 1 1 13 2  61  o 7.7960  2.1830 1.577000       4.365000  
1 1 1 13 2  62  o 6.7160  2.0450 -1.687000      4.090000  
1 1 1 13 2  63  o 6.8580  2.0800 1.515000       4.160000  
1 1 1 13 2  64  o 12.000  2.3220 -3.055000      4.643000  
1 1 1 13 2  65  o 8.3140  2.3240 2.349000       4.647000  
1 1 1 13 2  66  o 10.420  2.4210 -5.731000      4.841000  
1 1 1 13 2  67  o 7.1280  2.2240 -0.5768000     4.448000  
1 1 1 13 2  68  o 12.240  2.5420 -2.847000      5.084000  
1 1 1 13 2  69  o 10.490  2.4750 4.822000       4.951000  
1 1 1 13 2  70  f 11.710  2.5830 -1.832000      5.166000  
1 1 1 13 2  71  o 7.3930  2.2980 0.2567000      4.596000  
1 1 1 13 2  72  o 6.9580  2.2520 -0.8206000     4.505000  
1 1 1 13 2  73  o 6.2490  2.0980 -1.381000      4.197000  
1 1 1 13 2  74  o 7.7130  2.4230 -0.5224000E-01 4.846000  
1 1 1 13 2  75  o 6.5780  2.1910 -1.373000      4.382000  
1 1 1 13 2  76  o 6.7360  2.2000 0.7576000      4.400000  
1 1 1 13 2  77  o 5.8440  1.9780 -0.8700000E-01 3.956000  
1 1 1 13 2  78  o 4.9250  1.7280 0.4790000E-01  3.455000  
1 1 1 13 2  79  o 6.1770  2.0230 0.2113000      4.046000  
1 1 1 13 2  80  o 5.9260  1.9960 0.5121000E-01  3.992000  
1 1 1 13 2  81  o 5.5210  1.8860 -1.398000      3.773000  
1 1 1 13 2  82  o 6.0190  2.0260 0.5559000      4.053000  
1 1 1 13 2  83  o 5.0350  1.7470 -0.5811000     3.495000  
1 1 1 13 2  84  f 4.9830  1.7090 -0.1316000     3.419000  
1 1 1 13 2  85  o 5.8050  1.9140 0.6707000      3.827000  
1 1 1 13 2  86  o 4.5660  1.5600 -0.1450000     3.120000  
1 1 1 13 2  87  o 5.0780  1.6180 0.6224000      3.236000  
1 1 1 13 3  0   o 33.920  0.9683 0.000000       0.000000  
1 1 1 13 3  1   o 33.210  0.6745 0.4397000E-01  1.349000  
1 1 1 13 3  2   o 42.390  0.8420 0.5663000      1.684000  
1 1 1 13 3  3   o 35.880  0.7238 1.405000       1.448000  
1 1 1 13 3  4   o 67.650  2.7040 ?              ?         
1 1 1 13 3  5   o 54.770  1.0840 -1.923000      2.167000  
1 1 1 13 3  6   o 27.060  0.7937 ?              ?         
1 1 1 13 3  7   o 37.710  0.7557 4.558000       1.511000  
1 1 1 13 3  8   o 24.510  0.5342 -3.517000      1.068000  
1 1 1 13 3  9   o 50.190  1.9870 ?              ?         
1 1 1 13 3  10  o 38.470  0.9440 0.5240000      1.888000  
1 1 1 13 3  11  o 11.320  0.6767 ?              ?         
1 1 1 13 3  12  f 25.580  1.0380 ?              ?         
1 1 1 13 3  13  o 17.430  0.5600 -1.908000      1.120000  
1 1 1 13 3  14  o 19.980  0.6156 -0.9880000E-01 1.231000  
1 1 1 13 3  15  o 26.690  0.7731 2.229000       1.546000  
1 1 1 13 3  16  o 53.360  1.4920 -1.387000      2.984000  
1 1 1 13 3  17  o 42.450  1.1900 2.149000       2.380000  
1 1 1 13 3  18  f 23.450  0.7084 3.230000       1.417000  
1 1 1 13 3  19  o 35.090  0.9953 -2.806000      1.991000  
1 1 1 13 3  20  o 31.240  0.8998 1.262000       1.800000  
1 1 1 13 3  21  o 43.860  1.7340 ?              ?         
1 1 1 13 3  22  o 56.930  2.2570 ?              ?         
1 1 1 13 3  23  o 37.810  1.5040 ?              ?         
1 1 1 13 3  24  o 41.300  1.6430 ?              ?         
1 1 1 13 3  25  o 32.600  0.8019 -3.587000      1.604000  
1 1 1 13 3  26  o 25.730  0.6744 0.4662000      1.349000  
1 1 1 13 3  27  o 17.990  0.5645 -0.4466000     1.129000  
1 1 1 13 3  28  o 27.630  0.7156 -0.9160000     1.431000  
1 1 1 13 3  29  o 21.400  0.6144 -0.2465000     1.229000  
1 1 1 13 3  30  o 17.670  0.6036 0.9304000      1.207000  
1 1 1 13 3  31  o 34.260  0.8564 -2.652000      1.713000  
1 1 1 13 3  32  o 22.360  0.6914 6.243000       1.383000  
1 1 1 13 3  33  o 30.530  0.7929 -3.000000      1.586000  
1 1 1 13 3  34  o 54.170  1.3340 0.8463000      2.669000  
1 1 1 13 3  35  o 23.580  0.7275 2.576000       1.455000  
1 1 1 13 3  36  o 52.000  1.2860 0.9719000E-01  2.573000  
1 1 1 13 3  37  o 37.210  0.9834 4.608000       1.967000  
1 1 1 13 3  38  f 30.350  0.8428 1.056000       1.686000  
1 1 1 13 3  39  f 9.2390  1.2560 -0.8442000     2.511000  
1 1 1 13 3  40  o 9.5690  1.2390 2.466000       2.478000  
1 1 1 13 3  41  o 29.570  0.8552 1.279000       1.710000  
1 1 1 13 3  42  o 6.0030  1.5330 -0.4038000     3.066000  
1 1 1 13 3  43  o 22.320  0.8279 -0.2247000     1.656000  
1 1 1 13 3  44  o 35.440  1.1250 -0.6642000     2.249000  
1 1 1 13 3  45  o 10.610  1.6080 0.5976000      3.217000  
1 1 1 13 3  46  o 29.620  1.0450 -0.3644000     2.089000  
1 1 1 13 3  47  o 12.040  1.5700 2.436000       3.140000  
1 1 1 13 3  48  o 8.2620  1.8500 -0.7053000     3.700000  
1 1 1 13 3  49  o 15.370  1.3280 -0.4610000     2.656000  
1 1 1 13 3  50  o 6.2900  1.7950 -2.472000      3.590000  
1 1 1 13 3  51  o 23.140  1.1480 -0.3595000     2.295000  
1 1 1 13 3  52  o 24.030  1.2010 2.052000       2.401000  
1 1 1 13 3  53  o 21.650  1.2890 2.604000       2.578000  
1 1 1 13 3  54  o 36.130  1.2510 -0.1222000     2.502000  
1 1 1 13 3  55  o 20.860  1.3130 -1.083000      2.626000  
1 1 1 13 3  56  o 26.090  1.2700 -0.5945000E-01 2.539000  
1 1 1 13 3  57  o 27.250  1.2680 -2.734000      2.536000  
1 1 1 13 3  58  o 10.150  2.1330 -5.568000      4.267000  
1 1 1 13 3  59  o 9.2160  2.2180 2.118000       4.437000  
1 1 1 13 3  60  o 23.540  1.3830 -3.777000      2.767000  
1 1 1 13 3  61  o 9.5910  2.2860 -0.8881000     4.573000  
1 1 1 13 3  62  o 12.250  2.1510 2.559000       4.302000  
1 1 1 13 3  63  o 14.990  2.0680 3.633000       4.136000  
1 1 1 13 3  64  o 18.420  1.8630 -4.941000      3.726000  
1 1 1 13 3  65  o 16.300  2.0750 -0.1024000E-02 4.151000  
1 1 1 13 3  66  o 12.110  2.5260 -1.556000      5.051000  
1 1 1 13 3  67  o 10.830  2.6190 -0.2434000E-01 5.237000  
1 1 1 13 3  68  o 9.7530  2.5740 -0.6734000     5.149000  
1 1 1 13 3  69  o 7.7650  2.3660 0.4836000      4.732000  
1 1 1 13 3  70  o 6.5630  2.1250 1.741000       4.251000  
1 1 1 13 3  71  o 6.4930  2.1180 1.480000       4.237000  
1 1 1 13 3  72  o 5.7660  1.9530 -0.3818000     3.907000  
1 1 1 13 3  73  o 5.9700  2.0210 -0.8352000     4.043000  
1 1 1 13 3  74  o 6.8490  2.2170 0.8058000      4.435000  
1 1 1 13 3  75  o 5.6580  1.9370 -1.530000      3.875000  
1 1 1 13 3  76  o 6.4760  2.0970 -2.523000      4.195000  
1 1 1 13 3  77  o 5.1360  1.7770 -0.5507000     3.554000  
1 1 1 13 3  78  o 5.9210  1.9730 -0.2509000     3.945000  
1 1 1 13 3  79  o 5.8740  1.9590 1.667000       3.919000  
1 1 1 13 3  80  o 4.7720  1.6680 0.2250000      3.336000  
1 1 1 13 3  81  o 6.1180  2.0030 -0.5596000     4.006000  
1 1 1 13 3  82  o 6.2160  2.0300 1.333000       4.060000  
1 1 1 13 3  83  o 4.8280  1.6750 0.2955000      3.350000  
1 1 1 13 3  84  o 4.5560  1.5950 -0.6447000     3.190000  
1 1 1 13 3  85  o 5.9130  1.8700 2.165000       3.741000  
1 1 1 13 3  86  o 4.3630  1.4980 0.1149000      2.996000  
1 1 1 13 3  87  o 4.6240  2.2140 ?              ?         
1 1 1 13 4  1   o 72.210  1.4260 0.1619000      2.851000  
1 1 1 13 4  3   o 63.790  1.2590 2.194000       2.519000  
1 1 1 13 4  4   f 52.520  1.0380 -1.618000      2.075000  
1 1 1 13 4  5   o 37.290  0.7455 -1.706000      1.491000  
1 1 1 13 4  6   o 70.330  1.2610 4.397000       2.523000  
1 1 1 13 4  7   o 42.130  1.1860 ?              ?         
1 1 1 13 4  8   o 43.920  0.8753 4.050000       1.751000  
1 1 1 13 4  9   o 18.320  0.6197 ?              ?         
1 1 1 13 4  10  o 15.600  0.4365 -3.283000      0.8730000 
1 1 1 13 4  11  o 46.300  1.2950 ?              ?         
1 1 1 13 4  12  o 15.310  0.7440 ?              ?         
1 1 1 13 4  13  o 33.820  1.3470 ?              ?         
1 1 1 13 4  14  o 17.880  0.7964 ?              ?         
1 1 1 13 4  15  o 21.790  0.9102 ?              ?         
1 1 1 13 4  16  o 35.150  0.8750 1.216000       1.750000  
1 1 1 13 4  17  o 24.180  0.6451 0.7429000E-01  1.290000  
1 1 1 13 4  18  o 37.400  0.9173 -1.421000      1.835000  
1 1 1 13 4  19  o 42.470  1.0420 0.7522000      2.084000  
1 1 1 13 4  20  o 20.040  0.6456 7.125000       1.291000  
1 1 1 13 4  21  f 42.200  1.0180 -4.808000      2.036000  
1 1 1 13 4  22  o 41.020  0.9369 -2.131000      1.874000  
1 1 1 13 4  23  o 34.180  0.7890 -2.537000      1.578000  
1 1 1 13 4  24  o 64.990  1.4720 -3.803000      2.944000  
1 1 1 13 4  25  o 46.160  1.0630 -0.6465000     2.126000  
1 1 1 13 4  26  f 74.470  1.7040 -3.042000      3.407000  
1 1 1 13 4  27  o 32.170  0.8241 8.725000       1.648000  
1 1 1 13 4  28  o 32.330  0.7760 -0.4065000E-01 1.552000  
1 1 1 13 4  29  f 19.160  0.6071 4.152000       1.214000  
1 1 1 13 4  30  o 25.140  0.6406 -3.377000      1.281000  
1 1 1 13 4  31  f 35.970  0.8413 -3.432000      1.683000  
1 1 1 13 4  32  f 29.480  0.8074 6.037000       1.615000  
1 1 1 13 4  33  o 41.690  1.0230 -3.969000      2.046000  
1 1 1 13 4  34  o 24.540  0.7558 8.151000       1.512000  
1 1 1 13 4  35  f 36.110  0.9118 -4.590000      1.824000  
1 1 1 13 4  36  o 43.890  1.2960 5.090000       2.592000  
1 1 1 13 4  37  o 12.470  1.2590 3.514000       2.517000  
1 1 1 13 4  38  o 22.810  0.9164 0.6938000      1.833000  
1 1 1 13 4  39  o 14.100  1.1520 1.324000       2.303000  
1 1 1 13 4  40  o 5.9150  1.5940 0.9181000      3.189000  
1 1 1 13 4  41  o 19.420  1.0120 -0.9836000     2.024000  
1 1 1 13 4  42  o 10.580  1.5010 -0.8564000     3.002000  
1 1 1 13 4  43  o 20.770  1.0140 -0.1647000     2.029000  
1 1 1 13 4  44  o 10.610  1.5910 2.872000       3.181000  
1 1 1 13 4  45  o 28.750  1.0550 -2.107000      2.109000  
1 1 1 13 4  46  o 34.330  1.1350 1.093000       2.271000  
1 1 1 13 4  47  o 14.970  1.3980 1.847000       2.797000  
1 1 1 13 4  48  o 23.630  1.0790 -1.779000      2.158000  
1 1 1 13 4  49  o 20.510  1.1630 -0.3963000     2.326000  
1 1 1 13 4  50  o 12.250  2.2410 ?              ?         
1 1 1 13 4  51  o 30.580  1.5440 ?              ?         
1 1 1 13 4  52  o 34.900  1.6560 ?              ?         
1 1 1 13 4  53  o 12.320  2.3410 ?              ?         
1 1 1 13 4  54  o 7.8660  2.9450 ?              ?         
1 1 1 13 4  55  o 11.070  2.7170 ?              ?         
1 1 1 13 4  56  o 10.270  2.8880 ?              ?         
1 1 1 13 4  57  f 13.400  2.5590 ?              ?         
1 1 1 13 4  58  o 9.6480  3.0750 ?              ?         
1 1 1 13 4  59  o 11.780  2.7880 ?              ?         
1 1 1 13 4  60  o 15.460  2.3520 ?              ?         
1 1 1 13 4  61  o 9.6190  3.1710 ?              ?         
1 1 1 13 4  62  o 7.1370  3.0320 ?              ?         
1 1 1 13 4  63  o 5.8320  2.7260 ?              ?         
1 1 1 13 4  64  o 6.1640  2.8230 ?              ?         
1 1 1 13 4  65  o 15.390  3.1280 ?              ?         
1 1 1 13 4  66  o 7.2630  3.2060 ?              ?         
1 1 1 13 4  67  o 16.120  3.1550 ?              ?         
1 1 1 13 4  68  o 7.2670  3.2200 ?              ?         
1 1 1 13 4  69  o 6.9140  3.0960 ?              ?         
1 1 1 13 4  70  o 5.5860  2.6730 ?              ?         
1 1 1 13 4  71  o 6.3070  2.9120 ?              ?         
1 1 1 13 4  72  o 7.5170  3.2310 ?              ?         
1 1 1 13 4  73  o 6.8230  3.1150 ?              ?         
1 1 1 13 4  74  o 5.0400  2.5000 ?              ?         
1 1 1 13 4  75  o 6.4260  3.0050 ?              ?         
1 1 1 13 4  76  o 5.5750  2.6810 ?              ?         
1 1 1 13 4  77  o 6.3160  2.9000 ?              ?         
1 1 1 13 4  78  o 5.3860  2.5970 ?              ?         
1 1 1 13 4  79  o 5.0080  2.4530 ?              ?         
1 1 1 13 4  80  o 4.5850  2.2910 ?              ?         
1 1 1 13 4  81  o 8.9260  3.4630 ?              ?         
1 1 1 13 4  82  o 4.9970  2.4430 ?              ?         
1 1 1 13 4  83  o 5.8020  2.7060 ?              ?         
1 1 1 13 4  84  o 4.9270  2.4050 ?              ?         
1 1 1 13 4  85  o 4.1890  2.0950 ?              ?         
1 1 1 13 4  86  o 3.6170  1.8250 ?              ?         
1 1 1 13 4  87  o 3.9580  1.9700 ?              ?         
1 1 1 13 5  0   o 31.770  0.9112 -0.000000      0.000000  
1 1 1 13 5  2   o 49.940  0.9892 2.344000       1.978000  
1 1 1 13 5  3   o 47.860  1.1130 -2.953000      2.226000  
1 1 1 13 5  4   o 21.360  0.4850 -4.439000      0.9700000 
1 1 1 13 5  5   o 26.510  0.5614 4.555000       1.123000  
1 1 1 13 5  6   o 18.840  0.5910 ?              ?         
1 1 1 13 5  7   o 47.630  1.0860 ?              ?         
1 1 1 13 5  8   o 25.160  0.7295 ?              ?         
1 1 1 13 5  9   o 22.330  0.4584 -1.046000      0.9168000 
1 1 1 13 5  10  f 43.420  1.2200 ?              ?         
1 1 1 13 5  12  o 25.230  0.7576 ?              ?         
1 1 1 13 5  13  o 19.500  0.4903 -0.3928000     0.9806000 
1 1 1 13 5  14  o 41.550  0.8386 1.021000       1.677000  
1 1 1 13 5  15  o 32.900  0.8274 0.9507000      1.655000  
1 1 1 13 5  16  o 20.220  0.5887 0.6280000      1.177000  
1 1 1 13 5  17  o 41.380  1.0030 -3.153000      2.006000  
1 1 1 13 5  18  o 31.780  1.2810 ?              ?         
1 1 1 13 5  19  o 31.120  0.7803 -2.426000      1.561000  
1 1 1 13 5  20  o 50.570  1.1290 -6.037000      2.257000  
1 1 1 13 5  21  o 41.380  1.0150 0.7363000      2.031000  
1 1 1 13 5  22  o 71.980  1.5930 -10.88000      3.186000  
1 1 1 13 5  23  o 37.810  1.0570 20.73000       2.115000  
1 1 1 13 5  24  o 30.880  0.7518 1.287000       1.504000  
1 1 1 13 5  25  o 71.680  1.5960 -9.566000      3.192000  
1 1 1 13 5  26  o 32.940  0.9406 18.12000       1.881000  
1 1 1 13 5  27  o 34.830  0.8139 -2.585000      1.628000  
1 1 1 13 5  28  o 17.900  0.7056 5.346000       1.411000  
1 1 1 13 5  29  o 8.0180  1.0440 -2.942000      2.088000  
1 1 1 13 5  30  o 33.440  0.8626 -2.266000      1.725000  
1 1 1 13 5  31  o 18.250  0.7527 5.212000       1.505000  
1 1 1 13 5  32  o 43.850  1.0750 -6.084000      2.149000  
1 1 1 13 5  33  o 41.500  1.0700 3.329000       2.140000  
1 1 1 13 5  34  o 38.940  1.0210 3.912000       2.042000  
1 1 1 13 5  35  o 37.260  0.9650 -1.949000      1.930000  
1 1 1 13 5  36  o 21.580  0.8161 6.082000       1.632000  
1 1 1 13 5  37  o 39.600  1.0140 -4.746000      2.028000  
1 1 1 13 5  38  o 49.320  1.2590 2.527000       2.518000  
1 1 1 13 5  39  o 21.520  0.8145 0.2128000      1.629000  
1 1 1 13 5  40  o 6.8330  1.4520 3.138000       2.905000  
1 1 1 13 5  41  o 17.150  0.8900 -1.386000      1.780000  
1 1 1 13 5  42  o 25.180  0.8545 -1.129000      1.709000  
1 1 1 13 5  43  o 10.380  1.4910 3.120000       2.983000  
1 1 1 13 5  44  o 19.760  0.9482 -0.5004000     1.896000  
1 1 1 13 5  45  f 34.140  0.9796 -3.651000      1.959000  
1 1 1 13 5  46  f 35.750  1.0410 1.452000       2.083000  
1 1 1 13 5  47  o 33.410  1.0240 2.735000       2.049000  
1 1 1 13 5  48  o 16.460  1.1830 0.3793000      2.366000  
1 1 1 13 5  49  o 10.730  1.6660 3.865000       3.332000  
1 1 1 13 5  50  o 8.2860  1.8930 0.2146000      3.786000  
1 1 1 13 5  51  o 23.270  1.0310 0.2358000      2.063000  
1 1 1 13 5  52  o 7.7150  1.8290 3.143000       3.657000  
1 1 1 13 5  53  o 28.030  1.0260 0.1875000      2.051000  
1 1 1 13 5  54  o 17.620  1.2650 0.1501000      2.531000  
1 1 1 13 5  55  o 20.020  1.1840 -3.454000      2.367000  
1 1 1 13 5  56  f 8.1550  2.3220 -5.473000      4.643000  
1 1 1 13 5  57  o 7.2760  2.1280 0.9355000      4.255000  
1 1 1 13 5  58  o 8.0570  2.2510 -0.2589000     4.501000  
1 1 1 13 5  59  o 11.670  3.8190 ?              ?         
1 1 1 13 5  60  o 13.030  2.3750 -1.070000      4.749000  
1 1 1 13 5  61  o 6.5180  2.1060 -0.5662000     4.211000  
1 1 1 13 5  62  o 16.980  2.1310 -1.041000      4.263000  
1 1 1 13 5  63  o 12.280  2.5280 -2.867000      5.055000  
1 1 1 13 5  64  o 6.7520  2.1370 1.552000       4.273000  
1 1 1 13 5  65  o 9.4630  2.5980 -3.844000      5.197000  
1 1 1 13 5  66  o 7.4960  2.3690 -0.6777000     4.739000  
1 1 1 13 5  67  o 6.7750  2.1800 1.143000       4.360000  
1 1 1 13 5  68  o 10.540  2.6920 -0.6782000     5.385000  
1 1 1 13 5  69  o 7.3480  2.3160 -0.4504000     4.632000  
1 1 1 13 5  70  o 6.3140  2.0970 -1.139000      4.194000  
1 1 1 13 5  71  o 6.7850  2.1970 0.2714000      4.394000  
1 1 1 13 5  72  o 8.9830  2.5460 -4.219000      5.092000  
1 1 1 13 5  73  o 7.4310  2.3840 -2.056000      4.768000  
1 1 1 13 5  74  o 6.1250  2.0870 -1.309000      4.175000  
1 1 1 13 5  75  o 7.3140  2.2790 2.051000       4.558000  
1 1 1 13 5  76  o 5.3530  1.8400 0.6345000      3.681000  
1 1 1 13 5  77  o 6.5550  2.1680 -0.8906000     4.335000  
1 1 1 13 5  78  o 6.1180  2.0210 1.196000       4.042000  
1 1 1 13 5  79  o 7.6650  2.2750 2.852000       4.550000  
1 1 1 13 5  80  o 6.1910  2.0690 -1.339000      4.138000  
1 1 1 13 5  81  f 4.7000  1.6640 -0.1022000     3.328000  
1 1 1 13 5  82  o 5.0840  1.7690 -0.9949000E-02 3.538000  
1 1 1 13 5  83  o 4.8870  1.7020 0.9333000E-01  3.405000  
1 1 1 13 5  84  o 4.3790  1.5500 0.1606000      3.099000  
1 1 1 13 5  85  o 3.4310  1.2330 -0.2742000     2.465000  
1 1 1 13 5  86  o 4.7400  1.5730 -0.3171000     3.146000  
1 1 1 13 6  0   o 57.860  1.3140 -0.000000      0.000000  
1 1 1 13 6  1   o 44.160  1.0160 ?              ?         
1 1 1 13 6  2   o 18.630  0.5080 ?              ?         
1 1 1 13 6  3   o 14.180  0.5573 ?              ?         
1 1 1 13 6  4   o 46.920  0.9317 -6.692000      1.863000  
1 1 1 13 6  5   o 56.970  0.9173 -1.242000      1.835000  
1 1 1 13 6  6   o 36.380  0.7419 10.41000       1.484000  
1 1 1 13 6  7   o 75.450  1.7140 ?              ?         
1 1 1 13 6  8   o 54.070  0.8708 1.219000       1.742000  
1 1 1 13 6  9   o 37.560  0.6870 5.364000       1.374000  
1 1 1 13 6  10  o 25.120  0.4404 -0.7600000     0.8808000 
1 1 1 13 6  11  o 12.490  0.4462 1.775000       0.8925000 
1 1 1 13 6  12  o 10.160  0.4475 -0.5684000     0.8950000 
1 1 1 13 6  13  o 9.5670  0.5476 -1.519000      1.095000  
1 1 1 13 6  14  o 6.8110  0.6115 -0.4238000     1.223000  
1 1 1 13 6  15  o 54.300  1.0860 -8.506000      2.172000  
1 1 1 13 6  16  o 21.490  0.7451 ?              ?         
1 1 1 13 6  17  o 36.510  0.6765 -1.377000      1.353000  
1 1 1 13 6  18  o 32.810  0.7642 -1.423000      1.528000  
1 1 1 13 6  19  o 19.160  0.5854 6.006000       1.171000  
1 1 1 13 6  20  o 17.130  0.5058 0.4600000      1.012000  
1 1 1 13 6  21  o 34.230  0.7858 -3.409000      1.572000  
1 1 1 13 6  22  o 27.340  0.6753 1.729000       1.351000  
1 1 1 13 6  23  o 52.980  1.1890 -4.643000      2.377000  
1 1 1 13 6  24  o 30.840  0.7799 6.744000       1.560000  
1 1 1 13 6  25  o 31.440  0.7459 -1.337000      1.492000  
1 1 1 13 6  26  o 33.180  0.8003 1.789000       1.601000  
1 1 1 13 6  27  o 32.950  0.7688 -3.372000      1.538000  
1 1 1 13 6  28  o 29.730  0.7125 -3.388000      1.425000  
1 1 1 13 6  29  o 35.700  0.8636 2.594000       1.727000  
1 1 1 13 6  30  o 9.4640  0.7202 4.445000       1.440000  
1 1 1 13 6  31  o 14.510  0.7413 -5.045000      1.483000  
1 1 1 13 6  32  o 40.760  1.0350 0.1724000E-01  2.070000  
1 1 1 13 6  33  o 29.130  0.8057 -2.164000      1.611000  
1 1 1 13 6  34  o 23.460  0.7440 -0.6145000     1.488000  
1 1 1 13 6  35  o 27.010  0.8060 1.186000       1.612000  
1 1 1 13 6  36  o 22.370  0.7766 -2.472000      1.553000  
1 1 1 13 6  37  o 35.160  0.9537 1.198000       1.907000  
1 1 1 13 6  38  o 24.940  0.8124 0.7916000      1.625000  
1 1 1 13 6  39  o 20.400  0.8356 2.920000       1.671000  
1 1 1 13 6  40  o 31.300  0.8949 -2.074000      1.790000  
1 1 1 13 6  41  o 9.7580  1.4270 5.471000       2.854000  
1 1 1 13 6  42  o 21.050  0.8600 -1.613000      1.720000  
1 1 1 13 6  43  o 37.280  1.0540 5.578000       2.108000  
1 1 1 13 6  44  o 29.730  0.9300 -1.329000      1.860000  
1 1 1 13 6  45  o 24.270  0.9295 1.104000       1.859000  
1 1 1 13 6  46  o 14.240  1.2670 3.858000       2.534000  
1 1 1 13 6  47  o 34.620  1.0200 -0.1928000     2.040000  
1 1 1 13 6  48  o 43.170  1.1760 1.629000       2.353000  
1 1 1 13 6  49  o 27.940  0.9920 1.237000       1.984000  
1 1 1 13 6  50  o 10.910  1.7150 3.923000       3.431000  
1 1 1 13 6  51  o 24.790  1.0130 -1.437000      2.025000  
1 1 1 13 6  52  o 12.400  1.6300 7.481000       3.259000  
1 1 1 13 6  53  o 12.510  1.6250 0.7202000      3.249000  
1 1 1 13 6  54  o 14.510  1.4540 -0.5084000     2.908000  
1 1 1 13 6  55  o 11.960  1.7890 1.916000       3.578000  
1 1 1 13 6  56  o 4.8400  1.6030 -0.6167000     3.206000  
1 1 1 13 6  57  o 14.850  1.5610 -0.8848000E-01 3.121000  
1 1 1 13 6  58  o 7.3690  2.0020 2.236000       4.004000  
1 1 1 13 6  59  o 15.780  1.6320 -4.270000      3.265000  
1 1 1 13 6  60  o 12.900  1.9330 -0.1191000     3.866000  
1 1 1 13 6  61  o 4.9540  1.6730 -0.3347000     3.346000  
1 1 1 13 6  62  o 6.9530  2.2070 -1.348000      4.414000  
1 1 1 13 6  63  o 7.3370  2.3030 -2.738000      4.606000  
1 1 1 13 6  64  o 6.6050  2.1750 -0.8756000     4.350000  
1 1 1 13 6  65  o 11.890  4.2210 ?              ?         
1 1 1 13 6  66  o 7.5870  2.3550 -0.3591000     4.710000  
1 1 1 13 6  67  o 11.410  2.5930 0.9103000      5.185000  
1 1 1 13 6  68  f 7.0520  2.2340 0.2198000      4.468000  
1 1 1 13 6  69  o 7.3490  2.2760 0.6455000      4.553000  
1 1 1 13 6  70  o 6.9490  2.2480 -1.223000      4.497000  
1 1 1 13 6  71  o 6.4690  2.1570 -1.329000      4.314000  
1 1 1 13 6  72  f 7.1220  2.2350 1.517000       4.469000  
1 1 1 13 6  73  o 6.4090  2.1250 -0.2008000     4.251000  
1 1 1 13 6  74  f 6.4550  2.1360 0.4624000      4.271000  
1 1 1 13 6  75  o 5.2480  1.8110 0.3153000      3.623000  
1 1 1 13 6  76  o 6.2380  2.0800 -0.5244000     4.160000  
1 1 1 13 6  77  o 5.9370  2.0080 -0.9315000     4.016000  
1 1 1 13 6  78  o 5.4650  1.8850 -0.8104000     3.770000  
1 1 1 13 6  79  o 5.1350  1.7880 -0.5699000     3.576000  
1 1 1 13 6  80  o 5.3160  1.8450 0.2484000      3.689000  
1 1 1 13 6  81  o 6.3020  2.0910 -0.2154000     4.181000  
1 1 1 13 6  82  f 4.1910  1.5060 0.4017000      3.011000  
1 1 1 13 6  83  o 4.9570  1.7360 -0.4612000     3.471000  
1 1 1 13 6  84  o 4.4040  1.5370 -0.2959000     3.074000  
1 1 1 13 6  85  o 4.9460  1.6200 -0.7737000     3.241000  
1 1 1 13 6  86  o 3.7830  1.8860 ?              ?         
1 1 1 13 7  0   o 20.880  0.7321 -0.000000      0.000000  
1 1 1 13 7  1   o 52.160  0.7297 1.148000       1.459000  
1 1 1 13 7  2   o 51.560  0.7778 -0.4190000     1.556000  
1 1 1 13 7  3   o 66.100  0.9929 0.9489000      1.986000  
1 1 1 13 7  4   o 52.550  0.8991 1.072000       1.798000  
1 1 1 13 7  5   o 41.050  0.6704 0.9333000      1.341000  
1 1 1 13 7  6   o 51.610  0.7784 0.9662000      1.557000  
1 1 1 13 7  7   f 25.670  0.5612 6.381000       1.122000  
1 1 1 13 7  8   o 21.400  0.4400 0.4291000      0.8799000 
1 1 1 13 7  9   o 67.180  1.2100 -1.025000      2.420000  
1 1 1 13 7  11  o 14.690  0.3547 0.6823000      0.7095000 
1 1 1 13 7  12  o 19.620  0.3819 -0.7446000     0.7638000 
1 1 1 13 7  13  o 53.590  0.9742 -2.518000      1.948000  
1 1 1 13 7  14  o 33.990  0.6376 -0.4083000     1.275000  
1 1 1 13 7  15  o 38.240  0.7092 1.702000       1.418000  
1 1 1 13 7  16  o 27.600  0.8702 ?              ?         
1 1 1 13 7  17  o 31.990  0.6547 0.7207000      1.309000  
1 1 1 13 7  18  o 51.580  0.9336 -0.5591000     1.867000  
1 1 1 13 7  19  o 64.010  1.4610 ?              ?         
1 1 1 13 7  20  o 44.120  1.2390 ?              ?         
1 1 1 13 7  21  o 25.250  0.6569 -1.224000      1.314000  
1 1 1 13 7  22  o 54.330  1.2270 -3.746000      2.455000  
1 1 1 13 7  23  o 41.450  0.9617 -0.1274000     1.923000  
1 1 1 13 7  24  o 29.620  0.7500 5.381000       1.500000  
1 1 1 13 7  25  o 19.300  0.5628 0.7434000      1.126000  
1 1 1 13 7  26  o 17.870  0.5473 -1.595000      1.095000  
1 1 1 13 7  27  o 25.760  0.6521 -1.340000      1.304000  
1 1 1 13 7  28  o 59.970  1.3380 -7.411000      2.676000  
1 1 1 13 7  29  o 29.150  0.8359 11.70000       1.672000  
1 1 1 13 7  30  o 66.950  1.4980 -9.382000      2.995000  
1 1 1 13 7  31  o 40.400  1.0790 11.38000       2.158000  
1 1 1 13 7  32  o 37.680  0.9540 -3.312000      1.908000  
1 1 1 13 7  33  o 29.610  0.7606 0.4444000      1.521000  
1 1 1 13 7  34  o 36.340  0.9502 -1.724000      1.900000  
1 1 1 13 7  35  o 40.790  1.0470 -0.4857000     2.094000  
1 1 1 13 7  36  o 20.500  0.7848 2.070000       1.570000  
1 1 1 13 7  37  o 36.150  0.9626 -0.7053000     1.925000  
1 1 1 13 7  38  o 12.710  1.0670 1.790000       2.134000  
1 1 1 13 7  39  o 26.250  0.8373 0.8388000E-01  1.675000  
1 1 1 13 7  40  o 17.060  0.9570 3.953000       1.914000  
1 1 1 13 7  41  o 47.820  1.2070 -5.933000      2.414000  
1 1 1 13 7  42  o 36.390  1.0410 6.230000       2.081000  
1 1 1 13 7  43  o 26.740  0.9057 -0.9037000     1.811000  
1 1 1 13 7  44  o 18.490  0.9672 0.7878000      1.934000  
1 1 1 13 7  45  o 24.570  0.9303 2.319000       1.861000  
1 1 1 13 7  46  o 10.230  1.5700 4.782000       3.140000  
1 1 1 13 7  47  o 14.170  1.2930 1.060000       2.586000  
1 1 1 13 7  48  o 14.190  1.2650 -1.744000      2.529000  
1 1 1 13 7  49  o 8.5790  1.8240 1.076000       3.648000  
1 1 1 13 7  50  o 20.890  1.0200 -3.801000      2.040000  
1 1 1 13 7  51  o 6.0690  1.7630 1.341000       3.525000  
1 1 1 13 7  52  o 18.040  1.1790 -0.4474000     2.357000  
1 1 1 13 7  53  o 10.580  1.7610 -6.366000      3.522000  
1 1 1 13 7  54  o 7.9770  1.9050 -3.191000      3.809000  
1 1 1 13 7  55  o 12.710  1.6680 -1.519000      3.336000  
1 1 1 13 7  56  o 8.4470  2.0030 -3.545000      4.007000  
1 1 1 13 7  57  o 13.560  1.7740 -5.247000      3.548000  
1 1 1 13 7  58  o 12.010  1.9830 -1.419000      3.966000  
1 1 1 13 7  59  f 7.2980  2.0350 -2.294000      4.070000  
1 1 1 13 7  60  o 8.9330  2.1240 -1.432000      4.249000  
1 1 1 13 7  61  o 10.020  2.2400 -0.5358000     4.480000  
1 1 1 13 7  62  o 7.8800  2.2090 1.502000       4.417000  
1 1 1 13 7  63  o 20.730  1.5390 -1.835000      3.079000  
1 1 1 13 7  64  o 7.4690  2.2070 -1.146000      4.415000  
1 1 1 13 7  65  o 7.3340  2.1700 -1.656000      4.339000  
1 1 1 13 7  66  o 7.7350  2.1600 -3.385000      4.321000  
1 1 1 13 7  67  o 6.3040  2.1260 -2.126000      4.253000  
1 1 1 13 7  68  o 6.6650  2.2130 -2.855000      4.426000  
1 1 1 13 7  69  o 8.3220  2.4420 -0.5861000     4.884000  
1 1 1 13 7  70  o 5.4270  1.8820 -1.285000      3.764000  
1 1 1 13 7  71  f 9.9700  4.0130 ?              ?         
1 1 1 13 7  72  o 6.8520  2.2240 -1.152000      4.448000  
1 1 1 13 7  73  o 7.1320  2.2380 -0.3186000     4.475000  
1 1 1 13 7  74  o 5.0870  1.7820 -0.6599000     3.564000  
1 1 1 13 7  75  o 6.3560  2.0780 -0.3892000     4.156000  
1 1 1 13 7  76  o 6.5290  2.1360 -1.119000      4.271000  
1 1 1 13 7  77  o 5.7510  1.9390 -0.1861000     3.878000  
1 1 1 13 7  78  o 5.3170  1.8270 0.5466000      3.655000  
1 1 1 13 7  79  o 6.1350  2.0770 -2.573000      4.154000  
1 1 1 13 7  80  o 4.9600  1.7390 0.4377000      3.478000  
1 1 1 13 7  81  o 5.3240  1.8380 -0.6585000     3.677000  
1 1 1 13 7  82  o 4.8510  1.7030 -0.1498000     3.407000  
1 1 1 13 7  83  o 5.3860  1.8280 -0.6732000     3.656000  
1 1 1 13 7  84  o 4.8910  1.6410 -0.9662000     3.281000  
1 1 1 13 7  85  o 3.5250  1.7780 ?              ?         
1 1 1 13 8  0   o 30.480  0.7332 0.000000       0.000000  
1 1 1 13 8  1   o 33.030  0.5188 -0.7987000     1.038000  
1 1 1 13 8  2   o 48.220  0.7305 0.7960000      1.461000  
1 1 1 13 8  3   o 16.830  0.4995 -1.712000      0.9991000 
1 1 1 13 8  4   o 17.140  0.3567 -0.1651000     0.7134000 
1 1 1 13 8  5   o 39.520  0.6965 -2.153000      1.393000  
1 1 1 13 8  6   o 16.300  0.4632 5.484000       0.9264000 
1 1 1 13 8  7   o 32.590  0.6151 1.138000       1.230000  
1 1 1 13 8  8   o 38.240  0.5895 0.3007000      1.179000  
1 1 1 13 8  9   o 26.550  0.5723 3.054000       1.145000  
1 1 1 13 8  10  o 17.670  0.4328 1.680000       0.8656000 
1 1 1 13 8  11  o 14.680  0.3601 1.343000       0.7202000 
1 1 1 13 8  12  o 28.860  0.4670 0.6284000      0.9339000 
1 1 1 13 8  13  o 17.810  0.3723 1.334000       0.7446000 
1 1 1 13 8  14  o 27.670  0.4792 -1.842000      0.9585000 
1 1 1 13 8  15  o 49.910  0.7584 0.9355000E-01  1.517000  
1 1 1 13 8  16  o 36.290  0.6147 1.247000       1.229000  
1 1 1 13 8  17  f 37.190  0.6902 -0.1360000     1.380000  
1 1 1 13 8  18  o 34.410  0.6508 -0.3857000     1.302000  
1 1 1 13 8  19  o 28.640  0.5662 -0.7418000     1.132000  
1 1 1 13 8  20  o 32.160  0.6151 -0.5223000     1.230000  
1 1 1 13 8  21  o 23.370  0.5030 1.280000       1.006000  
1 1 1 13 8  22  o 32.220  0.6149 -1.520000      1.230000  
1 1 1 13 8  23  o 39.040  0.9285 ?              ?         
1 1 1 13 8  24  o 18.720  0.6586 11.98000       1.317000  
1 1 1 13 8  25  o 20.910  0.5843 -1.737000      1.169000  
1 1 1 13 8  26  o 28.780  0.7164 0.1241000      1.433000  
1 1 1 13 8  27  o 21.170  0.6036 0.8103000      1.207000  
1 1 1 13 8  28  o 26.640  0.6753 -1.718000      1.351000  
1 1 1 13 8  29  o 12.440  0.8067 -2.310000      1.613000  
1 1 1 13 8  30  o 18.560  0.6136 1.969000       1.227000  
1 1 1 13 8  31  o 29.270  0.7262 -5.356000      1.452000  
1 1 1 13 8  32  o 53.580  1.2490 -0.4268000     2.499000  
1 1 1 13 8  33  o 32.940  0.8863 7.534000       1.773000  
1 1 1 13 8  34  f 26.770  0.7064 -3.605000      1.413000  
1 1 1 13 8  35  o 52.930  1.2460 0.7594000      2.491000  
1 1 1 13 8  36  o 29.850  0.8737 9.889000       1.747000  
1 1 1 13 8  37  o 30.010  0.7649 -4.754000      1.530000  
1 1 1 13 8  38  o 20.450  0.8383 2.203000       1.677000  
1 1 1 13 8  39  o 15.000  0.9598 -2.361000      1.920000  
1 1 1 13 8  40  o 20.810  0.8634 -1.669000      1.727000  
1 1 1 13 8  41  o 30.950  0.9361 4.556000       1.872000  
1 1 1 13 8  42  f 8.5150  1.4940 4.164000       2.987000  
1 1 1 13 8  43  o 15.120  1.0480 -1.700000      2.097000  
1 1 1 13 8  44  o 9.2750  1.4490 6.911000       2.898000  
1 1 1 13 8  45  o 17.870  1.0000 0.1409000E-01  2.000000  
1 1 1 13 8  46  o 15.890  1.1310 1.042000       2.261000  
1 1 1 13 8  47  f 8.2460  1.7880 0.9542000      3.576000  
1 1 1 13 8  48  o 11.750  1.5480 2.755000       3.095000  
1 1 1 13 8  49  o 14.970  1.3060 0.8877000      2.612000  
1 1 1 13 8  50  o 7.0970  1.8250 -2.258000      3.650000  
1 1 1 13 8  51  o 13.950  1.4640 -1.839000      2.929000  
1 1 1 13 8  52  o 16.420  1.2880 -1.550000      2.576000  
1 1 1 13 8  53  o 15.410  1.4320 -0.2270000E-01 2.864000  
1 1 1 13 8  54  o 9.1870  2.0260 0.9581000E-01  4.052000  
1 1 1 13 8  55  o 7.1890  2.0140 -0.7872000     4.028000  
1 1 1 13 8  56  o 14.100  1.7290 -6.194000      3.458000  
1 1 1 13 8  57  o 21.430  1.2370 2.199000       2.474000  
1 1 1 13 8  58  o 16.740  1.5270 0.2806000      3.054000  
1 1 1 13 8  59  o 11.080  2.0510 -4.513000      4.102000  
1 1 1 13 8  60  o 14.170  1.9170 -0.2377000     3.834000  
1 1 1 13 8  61  o 8.0660  2.2250 -1.483000      4.449000  
1 1 1 13 8  62  o 5.7110  1.8810 0.3791000      3.762000  
1 1 1 13 8  63  o 10.760  2.2660 -3.803000      4.532000  
1 1 1 13 8  64  o 7.3330  2.1270 1.164000       4.254000  
1 1 1 13 8  65  o 6.0980  1.9470 -0.3671000E-01 3.894000  
1 1 1 13 8  66  o 15.130  1.9080 -4.632000      3.817000  
1 1 1 13 8  67  o 6.9890  2.1100 -1.932000      4.220000  
1 1 1 13 8  68  f 5.2570  1.7760 -1.357000      3.551000  
1 1 1 13 8  69  o 6.2100  1.9610 -2.578000      3.923000  
1 1 1 13 8  70  o 6.6200  2.0590 0.9750000      4.118000  
1 1 1 13 8  71  o 6.0960  1.9630 -1.631000      3.926000  
1 1 1 13 8  72  o 5.6500  1.9270 -0.4261000     3.855000  
1 1 1 13 8  73  o 6.2090  2.0440 -0.5524000     4.088000  
1 1 1 13 8  74  o 5.7440  1.8980 0.9686000      3.796000  
1 1 1 13 8  75  o 6.3750  2.0560 0.4853000E-01  4.113000  
1 1 1 13 8  76  o 5.0840  1.7710 -0.8354000     3.541000  
1 1 1 13 8  77  o 5.2770  1.8250 -0.7036000     3.651000  
1 1 1 13 8  78  o 4.9060  2.4740 ?              ?         
1 1 1 13 8  79  o 5.6620  1.9360 -0.4569000     3.872000  
1 1 1 13 8  80  o 5.8140  1.9580 -0.7299000     3.917000  
1 1 1 13 8  81  o 4.2260  1.5110 -0.4876000     3.022000  
1 1 1 13 8  82  f 4.4880  1.5860 -0.6739000     3.172000  
1 1 1 13 8  83  o 4.1540  1.4510 0.1762000      2.901000  
1 1 1 13 8  84  o 4.0950  1.4240 0.8757000      2.847000  
1 1 1 13 9  0   f 31.750  0.6582 -0.000000      0.000000  
1 1 1 13 9  1   o 21.620  0.4486 -4.105000      0.8971000 
1 1 1 13 9  2   f 50.890  0.7744 -2.667000      1.549000  
1 1 1 13 9  3   o 23.360  0.4932 0.8046000      0.9864000 
1 1 1 13 9  4   o 27.060  0.4138 0.7893000      0.8277000 
1 1 1 13 9  5   o 26.910  0.4135 0.7918000      0.8269000 
1 1 1 13 9  6   o 38.180  0.5902 -0.4371000     1.180000  
1 1 1 13 9  7   o 16.460  0.4746 2.020000       0.9492000 
1 1 1 13 9  8   o 10.860  0.4436 0.3508000      0.8872000 
1 1 1 13 9  9   o 33.730  0.6412 -1.586000      1.282000  
1 1 1 13 9  10  o 71.760  1.2290 -1.265000      2.458000  
1 1 1 13 9  11  o 66.470  1.0050 -2.271000      2.010000  
1 1 1 13 9  12  o 42.710  0.6581 1.843000       1.316000  
1 1 1 13 9  13  o 15.750  0.4766 0.2794000      0.9533000 
1 1 1 13 9  14  o 34.540  0.5791 -1.273000      1.158000  
1 1 1 13 9  15  o 42.360  0.6525 1.637000       1.305000  
1 1 1 13 9  16  o 6.4140  1.0140 ?              ?         
1 1 1 13 9  17  o 18.610  0.3962 1.561000       0.7925000 
1 1 1 13 9  18  o 25.800  0.4862 -1.737000      0.9723000 
1 1 1 13 9  19  o 17.280  0.4555 -0.4416000     0.9109000 
1 1 1 13 9  20  o 15.940  0.4923 -0.3012000     0.9845000 
1 1 1 13 9  21  o 36.860  0.6319 -2.416000      1.264000  
1 1 1 13 9  22  o 38.780  0.6588 0.9107000      1.318000  
1 1 1 13 9  23  o 39.670  0.6729 0.7508000      1.346000  
1 1 1 13 9  24  o 32.280  0.6403 1.374000       1.281000  
1 1 1 13 9  25  f 42.110  0.7791 -1.895000      1.558000  
1 1 1 13 9  26  o 13.000  0.8255 ?              ?         
1 1 1 13 9  27  o 32.580  0.7752 -3.630000      1.550000  
1 1 1 13 9  28  o 32.020  0.7785 -1.089000      1.557000  
1 1 1 13 9  29  o 20.770  0.6410 3.860000       1.282000  
1 1 1 13 9  30  o 31.290  0.7634 -4.190000      1.527000  
1 1 1 13 9  31  o 37.240  0.9014 0.5567000      1.803000  
1 1 1 13 9  32  o 44.660  1.0510 -1.188000      2.102000  
1 1 1 13 9  33  o 41.070  0.9957 2.135000       1.991000  
1 1 1 13 9  34  o 14.050  0.7243 7.362000       1.449000  
1 1 1 13 9  35  o 16.550  0.6817 -1.946000      1.363000  
1 1 1 13 9  36  o 22.450  0.6963 2.066000       1.393000  
1 1 1 13 9  37  o 26.470  0.7461 -2.433000      1.492000  
1 1 1 13 9  38  o 31.900  0.8494 3.761000       1.699000  
1 1 1 13 9  39  o 51.020  1.1720 -7.163000      2.343000  
1 1 1 13 9  40  o 16.660  1.0920 19.45000       2.185000  
1 1 1 13 9  41  o 19.290  0.8921 -0.9188000     1.784000  
1 1 1 13 9  42  o 14.920  1.1030 2.716000       2.206000  
1 1 1 13 9  43  o 5.1940  1.5550 -1.220000      3.111000  
1 1 1 13 9  44  o 5.0600  1.5510 -0.7161000     3.102000  
1 1 1 13 9  45  o 8.8630  1.6990 -1.710000      3.399000  
1 1 1 13 9  46  o 9.8080  1.6900 -2.511000      3.380000  
1 1 1 13 9  47  o 20.970  0.9894 -0.9214000     1.979000  
1 1 1 13 9  48  o 9.9960  1.8040 -1.368000      3.607000  
1 1 1 13 9  49  o 23.560  1.0420 -2.074000      2.083000  
1 1 1 13 9  50  o 28.920  1.0440 0.5769000      2.088000  
1 1 1 13 9  51  o 8.0740  1.9110 2.637000       3.821000  
1 1 1 13 9  52  o 15.140  1.4640 -3.263000      2.927000  
1 1 1 13 9  53  o 18.500  1.3010 -2.144000      2.602000  
1 1 1 13 9  54  o 7.9180  2.0690 -1.345000      4.137000  
1 1 1 13 9  55  o 10.200  1.9760 -6.358000      3.952000  
1 1 1 13 9  56  o 17.030  1.5740 1.286000       3.148000  
1 1 1 13 9  57  o 7.9720  2.0600 4.871000       4.121000  
1 1 1 13 9  58  o 15.740  1.7770 -0.6526000     3.554000  
1 1 1 13 9  59  o 6.4320  2.0080 0.5833000      4.017000  
1 1 1 13 9  60  o 8.1650  2.1910 -2.358000      4.381000  
1 1 1 13 9  61  f 5.8920  1.8890 -0.5916000     3.778000  
1 1 1 13 9  62  o 12.040  2.1300 -3.054000      4.259000  
1 1 1 13 9  63  o 7.2010  2.1010 -1.043000      4.202000  
1 1 1 13 9  64  o 7.4800  2.1290 -0.5035000     4.257000  
1 1 1 13 9  65  o 6.0910  1.9320 -1.869000      3.865000  
1 1 1 13 9  66  o 6.2390  1.9470 0.4737000      3.894000  
1 1 1 13 9  67  o 6.4730  2.0050 -0.6805000     4.010000  
1 1 1 13 9  68  o 11.310  2.2460 0.3497000      4.493000  
1 1 1 13 9  69  f 7.0620  2.0360 3.748000       4.072000  
1 1 1 13 9  70  o 6.9680  2.0670 2.933000       4.134000  
1 1 1 13 9  71  o 6.6640  2.0590 -1.685000      4.118000  
1 1 1 13 9  72  f 5.5350  1.8320 -0.7130000     3.663000  
1 1 1 13 9  73  o 5.9380  1.8850 -2.576000      3.769000  
1 1 1 13 9  74  o 6.3040  1.9510 -2.161000      3.902000  
1 1 1 13 9  75  o 5.0560  1.7060 -0.1624000E-01 3.413000  
1 1 1 13 9  76  o 6.0680  1.9330 2.094000       3.867000  
1 1 1 13 9  77  o 5.7400  1.9560 -0.5841000     3.912000  
1 1 1 13 9  78  o 5.4850  1.8690 1.062000       3.737000  
1 1 1 13 9  79  o 5.8000  1.9240 0.5473000      3.849000  
1 1 1 13 9  80  o 4.3750  1.5560 -0.3784000     3.112000  
1 1 1 13 9  81  o 4.4940  1.5840 -0.5364000     3.169000  
1 1 1 13 9  82  o 4.6140  1.5760 -1.059000      3.152000  
1 1 1 13 9  83  o 3.9920  1.3890 1.396000       2.777000  
1 1 1 13 9  84  o 4.9520  2.2970 ?              ?         
1 1 1 13 10 0   f 22.570  0.6073 0.000000       0.000000  
1 1 1 13 10 1   o 31.200  0.5360 -1.752000      1.072000  
1 1 1 13 10 2   o 32.120  0.5483 0.8279000      1.097000  
1 1 1 13 10 3   o 54.500  0.8239 1.252000       1.648000  
1 1 1 13 10 4   o 16.880  0.5210 1.251000       1.042000  
1 1 1 13 10 5   o 20.630  0.3895 0.4109000E-01  0.7791000 
1 1 1 13 10 6   o 28.680  0.4727 -0.6249000     0.9454000 
1 1 1 13 10 7   o 11.000  0.4699 3.234000       0.9398000 
1 1 1 13 10 8   o 21.580  0.4653 -2.652000      0.9305000 
1 1 1 13 10 9   o 12.110  0.5060 0.5525000      1.012000  
1 1 1 13 10 10  o 21.840  0.4783 -2.201000      0.9566000 
1 1 1 13 10 11  o 19.370  0.4256 1.046000       0.8512000 
1 1 1 13 10 12  o 39.660  0.6149 1.410000       1.230000  
1 1 1 13 10 13  o 19.800  0.4975 2.907000       0.9949000 
1 1 1 13 10 14  f 39.910  0.6212 1.689000       1.242000  
1 1 1 13 10 15  o 41.910  0.6485 0.1608000      1.297000  
1 1 1 13 10 16  o 29.870  0.5853 4.617000       1.171000  
1 1 1 13 10 17  f 62.110  0.9382 2.985000       1.876000  
1 1 1 13 10 18  o 16.990  0.6319 ?              ?         
1 1 1 13 10 19  o 10.660  0.5490 -0.6513000     1.098000  
1 1 1 13 10 20  o 47.420  0.9622 6.218000       1.924000  
1 1 1 13 10 21  o 27.070  0.9753 ?              ?         
1 1 1 13 10 22  f 49.850  0.8247 1.593000       1.649000  
1 1 1 13 10 23  o 27.150  0.6771 1.591000       1.354000  
1 1 1 13 10 24  o 55.170  0.9062 0.2593000      1.812000  
1 1 1 13 10 25  o 23.020  0.9535 ?              ?         
1 1 1 13 10 26  o 22.980  0.5658 -2.241000      1.132000  
1 1 1 13 10 27  o 43.480  0.7362 0.7494000E-01  1.472000  
1 1 1 13 10 28  o 23.820  0.6717 -1.937000      1.343000  
1 1 1 13 10 29  o 14.770  0.5201 -0.4449000E-01 1.040000  
1 1 1 13 10 30  o 34.120  0.6980 -1.666000      1.396000  
1 1 1 13 10 31  o 29.350  0.7544 -0.4666000     1.509000  
1 1 1 13 10 32  o 34.460  0.8539 0.2006000      1.708000  
1 1 1 13 10 33  o 24.400  0.7076 1.838000       1.415000  
1 1 1 13 10 34  o 12.730  0.7792 2.833000       1.558000  
1 1 1 13 10 35  o 16.240  0.7013 -1.284000      1.403000  
1 1 1 13 10 36  o 14.700  0.7334 1.404000       1.467000  
1 1 1 13 10 37  o 37.660  0.9019 -4.405000      1.804000  
1 1 1 13 10 38  o 18.480  0.8190 11.65000       1.638000  
1 1 1 13 10 39  o 15.690  1.3170 ?              ?         
1 1 1 13 10 40  o 22.890  0.7550 0.4407000      1.510000  
1 1 1 13 10 41  o 19.230  0.7576 -0.1284000     1.515000  
1 1 1 13 10 42  o 18.530  0.7752 -0.1643000     1.550000  
1 1 1 13 10 43  f 12.440  0.9717 4.477000       1.943000  
1 1 1 13 10 44  o 6.0720  1.4560 3.669000       2.911000  
1 1 1 13 10 45  o 18.760  1.0240 -0.9923000     2.048000  
1 1 1 13 10 46  o 16.470  1.1220 -1.357000      2.244000  
1 1 1 13 10 47  o 23.020  1.0070 2.238000       2.014000  
1 1 1 13 10 48  o 17.610  1.1580 -4.252000      2.316000  
1 1 1 13 10 49  o 18.380  1.2110 1.717000       2.422000  
1 1 1 13 10 50  o 14.490  1.5280 -0.8807000     3.057000  
1 1 1 13 10 51  o 27.550  1.0790 -0.7090000     2.159000  
1 1 1 13 10 52  o 9.5790  2.0350 3.439000       4.071000  
1 1 1 13 10 53  o 10.760  2.0750 0.1405000      4.150000  
1 1 1 13 10 54  o 6.2910  1.9670 0.6349000      3.934000  
1 1 1 13 10 55  o 11.200  2.1850 -0.9463000     4.369000  
1 1 1 13 10 56  o 15.730  1.7860 -2.884000      3.573000  
1 1 1 13 10 57  o 12.340  2.1850 1.138000       4.369000  
1 1 1 13 10 58  o 9.2880  2.2530 -1.291000      4.507000  
1 1 1 13 10 59  o 9.7040  2.1380 2.792000       4.275000  
1 1 1 13 10 60  o 8.7430  2.2150 -0.1134000     4.431000  
1 1 1 13 10 61  o 6.4000  1.9780 -0.2695000     3.957000  
1 1 1 13 10 62  o 13.390  1.8940 -0.9468000     3.788000  
1 1 1 13 10 63  o 6.9230  1.9840 -3.735000      3.967000  
1 1 1 13 10 64  o 12.360  2.0550 1.333000       4.110000  
1 1 1 13 10 65  o 7.9740  2.1600 -1.996000      4.320000  
1 1 1 13 10 66  o 6.0640  1.8330 2.519000       3.666000  
1 1 1 13 10 67  f 9.4980  2.0620 4.460000       4.124000  
1 1 1 13 10 68  o 4.7080  1.6290 -0.8510000     3.257000  
1 1 1 13 10 69  o 5.4210  1.8010 -1.624000      3.602000  
1 1 1 13 10 70  o 5.9870  1.9050 0.3133000      3.809000  
1 1 1 13 10 71  o 5.9750  1.8820 -2.001000      3.765000  
1 1 1 13 10 72  o 11.490  2.1930 -1.037000      4.386000  
1 1 1 13 10 73  o 5.6350  1.8530 1.688000       3.706000  
1 1 1 13 10 74  o 6.1170  1.9520 -0.2420000     3.905000  
1 1 1 13 10 75  o 6.1910  1.9570 -0.8598000     3.914000  
1 1 1 13 10 76  o 5.4410  1.8130 0.5258000      3.626000  
1 1 1 13 10 77  o 5.0740  1.7140 -0.3998000     3.429000  
1 1 1 13 10 78  f 4.7680  1.6310 -0.9580000E-01 3.262000  
1 1 1 13 10 79  o 4.9120  1.6690 -0.1861000     3.338000  
1 1 1 13 10 80  o 4.1620  1.4550 0.1882000      2.909000  
1 1 1 13 10 81  o 4.5460  1.5680 0.2415000      3.137000  
1 1 1 13 10 82  o 4.4510  1.5230 0.3726000      3.045000  
1 1 1 13 10 83  f 4.1580  2.0450 ?              ?         
1 1 1 13 11 0   o 24.710  0.7700 0.000000       0.000000  
1 1 1 13 11 1   o 55.360  0.8357 -0.3286000     1.671000  
1 1 1 13 11 2   o 47.350  0.7211 0.8833000      1.442000  
1 1 1 13 11 3   o 28.750  0.4777 -0.1897000     0.9554000 
1 1 1 13 11 4   o 31.920  0.4750 1.418000       0.9499000 
1 1 1 13 11 5   o 33.940  0.4976 -0.4717000     0.9952000 
1 1 1 13 11 6   o 28.960  0.4442 2.079000       0.8885000 
1 1 1 13 11 7   o 24.850  0.4650 3.064000       0.9299000 
1 1 1 13 11 8   o 27.960  0.4732 -0.9867000     0.9464000 
1 1 1 13 11 9   f 64.600  0.9771 -1.973000      1.954000  
1 1 1 13 11 10  o 38.910  0.8115 -2.655000      1.623000  
1 1 1 13 11 11  o 28.650  0.5559 1.762000       1.112000  
1 1 1 13 11 12  o 27.070  0.4657 1.296000       0.9315000 
1 1 1 13 11 13  o 32.090  0.5219 -0.1572000     1.044000  
1 1 1 13 11 14  o 13.790  0.6099 0.9566000E-01  1.220000  
1 1 1 13 11 15  o 63.910  0.9664 3.851000       1.933000  
1 1 1 13 11 16  o 46.900  0.7797 -6.514000      1.559000  
1 1 1 13 11 17  o 41.360  0.6475 -1.455000      1.295000  
1 1 1 13 11 18  o 14.660  0.5367 -0.5294000     1.073000  
1 1 1 13 11 19  o 22.240  0.4355 -0.3432000E-01 0.8711000 
1 1 1 13 11 20  o 23.960  0.4495 1.308000       0.8990000 
1 1 1 13 11 21  o 33.160  0.5875 -0.6673000     1.175000  
1 1 1 13 11 22  o 17.150  0.5927 2.587000       1.185000  
1 1 1 13 11 23  o 29.910  0.5529 -1.040000      1.106000  
1 1 1 13 11 24  o 26.010  0.5267 0.4510000E-01  1.053000  
1 1 1 13 11 25  o 20.710  0.5520 1.751000       1.104000  
1 1 1 13 11 26  o 20.820  0.4976 -0.4941000     0.9951000 
1 1 1 13 11 27  o 23.920  0.5182 0.2861000      1.036000  
1 1 1 13 11 28  o 14.750  0.6205 1.729000       1.241000  
1 1 1 13 11 29  o 33.720  0.6134 -0.1278000     1.227000  
1 1 1 13 11 30  f 21.950  0.5225 -0.6618000     1.045000  
1 1 1 13 11 31  o 21.280  0.5306 -0.4577000     1.061000  
1 1 1 13 11 32  o 18.810  0.5441 0.9925000      1.088000  
1 1 1 13 11 33  o 24.070  0.5423 -1.102000      1.085000  
1 1 1 13 11 34  o 52.540  0.9955 -0.3833000     1.991000  
1 1 1 13 11 35  o 6.1620  1.7670 ?              ?         
1 1 1 13 11 36  o 28.210  0.6751 -1.972000      1.350000  
1 1 1 13 11 37  o 23.020  0.6839 1.282000       1.368000  
1 1 1 13 11 38  o 11.900  0.9059 3.136000       1.812000  
1 1 1 13 11 39  o 15.450  0.7978 -0.4258000     1.596000  
1 1 1 13 11 40  o 20.590  0.7591 0.3098000      1.518000  
1 1 1 13 11 41  o 22.340  0.8108 1.944000       1.622000  
1 1 1 13 11 42  o 15.410  0.8452 3.321000       1.690000  
1 1 1 13 11 43  f 10.090  1.2130 -0.2866000     2.426000  
1 1 1 13 11 44  o 11.170  1.1870 -3.653000      2.375000  
1 1 1 13 11 45  o 22.870  0.8075 -0.4339000E-01 1.615000  
1 1 1 13 11 46  o 12.420  1.1020 -0.2529000     2.204000  
1 1 1 13 11 47  o 14.480  1.0320 -0.3362000     2.064000  
1 1 1 13 11 48  o 9.6730  1.4470 -0.6137000E-01 2.894000  
1 1 1 13 11 49  o 19.770  1.1500 -1.022000      2.300000  
1 1 1 13 11 50  o 13.760  1.6490 0.5650000      3.298000  
1 1 1 13 11 51  o 22.570  1.2080 -0.9357000     2.415000  
1 1 1 13 11 52  o 17.530  1.5780 6.066000       3.157000  
1 1 1 13 11 53  o 18.080  1.5090 1.021000       3.019000  
1 1 1 13 11 54  o 8.3660  2.0680 4.712000       4.135000  
1 1 1 13 11 55  o 13.520  1.9180 -1.018000      3.836000  
1 1 1 13 11 56  o 14.800  1.7930 5.541000       3.586000  
1 1 1 13 11 57  o 9.6590  2.1350 1.215000       4.270000  
1 1 1 13 11 58  o 11.010  2.0540 -5.025000      4.107000  
1 1 1 13 11 59  o 6.5140  1.9850 -1.716000      3.970000  
1 1 1 13 11 60  o 12.190  1.9540 -3.222000      3.909000  
1 1 1 13 11 61  o 8.4510  2.1140 -1.257000      4.228000  
1 1 1 13 11 62  o 7.2390  1.9940 -2.677000      3.988000  
1 1 1 13 11 63  f 6.1630  1.8890 -1.991000      3.778000  
1 1 1 13 11 64  f 12.500  1.9140 1.850000       3.828000  
1 1 1 13 11 65  o 6.8970  2.0550 -1.139000      4.111000  
1 1 1 13 11 66  o 6.8340  2.0480 -2.253000      4.096000  
1 1 1 13 11 67  o 5.9540  1.8900 -2.589000      3.780000  
1 1 1 13 11 68  o 5.9070  1.8800 -0.3418000     3.761000  
1 1 1 13 11 69  o 5.4250  1.7780 -1.406000      3.556000  
1 1 1 13 11 70  f 8.6320  2.1790 -0.6763000     4.358000  
1 1 1 13 11 71  o 5.2170  1.7320 -0.4876000     3.464000  
1 1 1 13 11 72  o 6.1920  1.9370 -1.195000      3.875000  
1 1 1 13 11 73  f 5.5740  1.8370 -1.175000      3.674000  
1 1 1 13 11 74  o 5.6700  1.8500 -1.765000      3.700000  
1 1 1 13 11 75  o 6.0810  1.9010 3.060000       3.803000  
1 1 1 13 11 76  o 5.1400  1.7240 -0.2065000     3.448000  
1 1 1 13 11 77  o 4.4740  1.5440 -0.8026000E-01 3.089000  
1 1 1 13 11 78  o 4.6130  1.5840 0.2401000      3.168000  
1 1 1 13 11 79  o 3.7990  1.3400 0.2201000      2.680000  
1 1 1 13 11 80  o 4.4400  1.4750 0.9964000E-01  2.951000  
1 1 1 13 11 81  o 4.0240  1.4070 -0.4003000     2.814000  
1 1 1 13 11 82  o 3.2090  1.6350 ?              ?         
1 1 1 13 12 0   o 44.860  0.8986 0.000000       0.000000  
1 1 1 13 12 1   o 17.740  0.4993 0.9015000      0.9987000 
1 1 1 13 12 2   o 19.270  0.4262 -1.133000      0.8525000 
1 1 1 13 12 3   o 34.590  0.5865 -3.362000      1.173000  
1 1 1 13 12 4   o 52.980  0.7449 -0.7525000     1.490000  
1 1 1 13 12 5   o 28.110  0.6379 14.51000       1.276000  
1 1 1 13 12 6   o 62.060  0.9424 -2.621000      1.885000  
1 1 1 13 12 7   o 23.600  0.5238 4.751000       1.048000  
1 1 1 13 12 8   o 27.080  0.5780 -0.9270000     1.156000  
1 1 1 13 12 9   o 61.570  0.8624 -0.1037000     1.725000  
1 1 1 13 12 10  o 35.510  0.6887 -0.3763000     1.377000  
1 1 1 13 12 11  o 14.700  0.5443 0.3025000      1.089000  
1 1 1 13 12 12  o 36.820  0.6679 -1.422000      1.336000  
1 1 1 13 12 13  o 24.000  0.5136 1.794000       1.027000  
1 1 1 13 12 14  o 28.610  0.4897 -0.2239000     0.9793000 
1 1 1 13 12 15  o 25.910  0.4669 -1.564000      0.9339000 
1 1 1 13 12 16  o 20.720  0.4298 -0.9808000E-01 0.8596000 
1 1 1 13 12 17  o 35.370  0.6127 3.364000       1.225000  
1 1 1 13 12 18  o 20.850  0.5370 -0.8989000     1.074000  
1 1 1 13 12 19  o 13.150  0.5496 2.254000       1.099000  
1 1 1 13 12 20  o 33.080  0.5502 1.256000       1.100000  
1 1 1 13 12 21  o 7.4780  0.8348 -8.700000      1.670000  
1 1 1 13 12 22  o 7.4870  0.7346 -2.286000      1.469000  
1 1 1 13 12 23  o 6.5240  0.9560 -1.468000      1.912000  
1 1 1 13 12 24  o 12.100  0.5816 -0.8071000E-01 1.163000  
1 1 1 13 12 25  o 39.220  0.7443 -2.775000      1.489000  
1 1 1 13 12 26  o 30.690  0.5810 0.4328000      1.162000  
1 1 1 13 12 27  o 40.530  0.7002 -2.508000      1.400000  
1 1 1 13 12 28  o 9.8600  1.0600 -3.249000      2.120000  
1 1 1 13 12 29  o 17.380  0.5367 -1.523000      1.073000  
1 1 1 13 12 30  o 42.330  0.7326 -0.5491000     1.465000  
1 1 1 13 12 31  o 10.980  0.9550 -1.625000      1.910000  
1 1 1 13 12 32  o 39.620  0.6997 -0.7634000     1.399000  
1 1 1 13 12 33  o 14.910  1.1720 ?              ?         
1 1 1 13 12 34  o 36.680  0.7667 0.4194000      1.533000  
1 1 1 13 12 35  o 15.190  0.7704 -0.4882000     1.541000  
1 1 1 13 12 36  o 12.280  0.6947 -1.775000      1.389000  
1 1 1 13 12 37  o 10.480  1.0480 -1.854000      2.095000  
1 1 1 13 12 38  o 9.1160  1.1390 -0.5897000     2.279000  
1 1 1 13 12 39  o 21.290  0.7065 -3.151000      1.413000  
1 1 1 13 12 40  o 21.730  0.7014 1.902000       1.403000  
1 1 1 13 12 41  o 21.160  0.7287 -2.208000      1.457000  
1 1 1 13 12 42  o 26.170  0.7360 0.5433000      1.472000  
1 1 1 13 12 43  o 10.150  1.2300 2.413000       2.461000  
1 1 1 13 12 44  o 11.120  1.2290 -2.024000      2.459000  
1 1 1 13 12 45  o 5.8000  1.4990 1.655000       2.998000  
1 1 1 13 12 46  o 16.150  0.9712 -1.586000      1.942000  
1 1 1 13 12 47  o 10.400  1.3680 -0.3944000     2.737000  
1 1 1 13 12 48  o 21.490  0.9133 1.261000       1.827000  
1 1 1 13 12 49  o 9.7280  1.5940 -0.2645000     3.189000  
1 1 1 13 12 50  o 9.0490  1.5550 -3.788000      3.111000  
1 1 1 13 12 51  o 6.1880  1.6900 1.392000       3.380000  
1 1 1 13 12 52  o 9.0080  1.5820 -1.614000      3.164000  
1 1 1 13 12 53  o 8.6490  2.0340 1.846000       4.068000  
1 1 1 13 12 54  o 9.1580  2.0620 1.366000       4.125000  
1 1 1 13 12 55  o 17.340  1.4870 1.119000       2.974000  
1 1 1 13 12 56  f 6.5760  1.9090 2.742000       3.818000  
1 1 1 13 12 57  o 5.7090  1.8040 0.8695000      3.609000  
1 1 1 13 12 58  o 8.8220  1.8860 5.694000       3.773000  
1 1 1 13 12 59  o 6.9460  1.9710 1.642000       3.941000  
1 1 1 13 12 60  o 10.140  1.9370 -4.581000      3.874000  
1 1 1 13 12 61  o 7.4740  1.9660 2.995000       3.932000  
1 1 1 13 12 62  o 7.9950  2.0960 0.6220000      4.192000  
1 1 1 13 12 63  o 7.2400  2.0430 -2.228000      4.085000  
1 1 1 13 12 64  o 4.9800  1.6610 0.4393000      3.323000  
1 1 1 13 12 65  o 6.4190  1.9570 -2.587000      3.915000  
1 1 1 13 12 66  o 7.4040  2.0570 0.8196000      4.114000  
1 1 1 13 12 67  o 5.4160  1.7740 -0.5227000     3.548000  
1 1 1 13 12 68  o 4.5730  1.5630 -0.7002000     3.126000  
1 1 1 13 12 69  o 5.9550  1.8550 -1.938000      3.710000  
1 1 1 13 12 70  o 5.1310  1.7120 -0.7589000     3.424000  
1 1 1 13 12 71  o 5.3960  1.7730 -0.9172000     3.545000  
1 1 1 13 12 72  o 5.7080  1.8590 -1.897000      3.718000  
1 1 1 13 12 73  o 5.6240  1.8510 -1.062000      3.702000  
1 1 1 13 12 74  o 5.0890  1.7190 1.660000       3.437000  
1 1 1 13 12 75  o 4.8320  1.6430 0.5707000E-01  3.287000  
1 1 1 13 12 76  o 4.8300  1.6410 -0.3264000     3.283000  
1 1 1 13 12 77  f 4.0890  1.4380 0.5554000      2.875000  
1 1 1 13 12 78  o 4.2190  1.4450 -0.2925000E-02 2.890000  
1 1 1 13 12 79  o 3.8430  1.3360 0.7963000      2.672000  
1 1 1 13 12 80  o 4.9360  2.3150 ?              ?         
1 1 1 13 12 81  o 2.9390  1.5080 ?              ?         
1 1 1 13 13 0   o 35.280  0.7402 -0.000000      0.000000  
1 1 1 13 13 1   o 25.800  0.5955 -5.518000      1.191000  
1 1 1 13 13 2   o 52.660  0.7408 0.1377000      1.482000  
1 1 1 13 13 3   o 35.270  0.7437 8.698000       1.487000  
1 1 1 13 13 4   o 54.730  0.7694 -0.2249000     1.539000  
1 1 1 13 13 5   o 43.840  0.6300 0.6669000      1.260000  
1 1 1 13 13 6   o 20.110  0.4871 0.9860000      0.9743000 
1 1 1 13 13 7   o 13.130  0.5027 3.579000       1.005000  
1 1 1 13 13 8   o 7.1520  0.8217 -1.360000      1.643000  
1 1 1 13 13 9   o 33.100  0.4996 0.3973000      0.9991000 
1 1 1 13 13 10  o 19.970  0.4700 2.108000       0.9400000 
1 1 1 13 13 11  o 36.530  0.5381 0.3522000      1.076000  
1 1 1 13 13 12  o 18.330  0.6018 -3.797000      1.204000  
1 1 1 13 13 13  f 37.390  0.6812 -0.9346000     1.362000  
1 1 1 13 13 14  o 21.410  0.5488 2.348000       1.098000  
1 1 1 13 13 15  o 37.810  0.6016 2.369000       1.203000  
1 1 1 13 13 16  o 21.780  0.5490 1.240000       1.098000  
1 1 1 13 13 17  o 16.090  0.5606 -2.366000      1.121000  
1 1 1 13 13 18  o 26.340  0.4763 1.016000       0.9526000 
1 1 1 13 13 19  o 20.380  0.4933 -4.796000      0.9866000 
1 1 1 13 13 20  o 4.5260  1.0440 -1.458000      2.089000  
1 1 1 13 13 21  o 11.010  0.5683 1.456000       1.137000  
1 1 1 13 13 22  o 23.670  0.4728 2.079000       0.9457000 
1 1 1 13 13 23  o 54.690  0.8461 -2.498000      1.692000  
1 1 1 13 13 24  o 32.260  0.7592 1.337000       1.518000  
1 1 1 13 13 25  f 47.570  0.8004 -0.4388000     1.601000  
1 1 1 13 13 26  o 15.010  0.8718 -8.555000      1.744000  
1 1 1 13 13 27  o 30.570  0.6553 -2.344000      1.311000  
1 1 1 13 13 28  o 40.930  0.7132 1.333000       1.426000  
1 1 1 13 13 29  o 34.130  0.7279 -3.803000      1.456000  
1 1 1 13 13 30  o 19.860  0.5468 1.041000       1.094000  
1 1 1 13 13 31  f 31.100  0.6127 -0.5686000     1.225000  
1 1 1 13 13 32  o 12.420  0.8809 -1.738000      1.762000  
1 1 1 13 13 33  o 5.7170  1.2010 -1.779000      2.402000  
1 1 1 13 13 34  o 6.3590  1.2100 0.1171000      2.420000  
1 1 1 13 13 35  o 6.1850  1.2260 0.5794000      2.452000  
1 1 1 13 13 36  o 10.470  0.8013 -0.2428000     1.603000  
1 1 1 13 13 37  f 29.370  0.6205 -1.055000      1.241000  
1 1 1 13 13 38  f 25.690  0.6415 -1.227000      1.283000  
1 1 1 13 13 39  o 11.690  0.8079 -1.892000      1.616000  
1 1 1 13 13 40  o 5.7070  1.2570 1.567000       2.514000  
1 1 1 13 13 41  o 17.330  0.7696 -0.6907000     1.539000  
1 1 1 13 13 42  o 6.8170  1.4470 -0.4546000     2.893000  
1 1 1 13 13 43  o 10.330  1.1970 3.998000       2.394000  
1 1 1 13 13 44  o 8.7420  1.4190 -0.2853000     2.837000  
1 1 1 13 13 45  o 8.5100  1.5120 -1.151000      3.024000  
1 1 1 13 13 46  o 16.220  0.9476 -1.531000      1.895000  
1 1 1 13 13 47  f 7.9720  1.4620 -1.602000      2.923000  
1 1 1 13 13 48  o 3.9120  1.2640 0.1923000      2.529000  
1 1 1 13 13 49  o 8.7680  1.4880 -0.8508000     2.976000  
1 1 1 13 13 50  o 15.160  1.0330 0.4159000      2.065000  
1 1 1 13 13 51  o 4.8510  1.4970 1.971000       2.994000  
1 1 1 13 13 52  o 10.820  1.5090 -2.270000      3.017000  
1 1 1 13 13 53  o 10.680  1.5100 1.390000       3.020000  
1 1 1 13 13 54  o 10.420  1.5480 -1.642000      3.096000  
1 1 1 13 13 55  o 7.1800  1.7150 2.355000       3.430000  
1 1 1 13 13 56  o 5.3010  1.5660 1.039000       3.132000  
1 1 1 13 13 57  o 7.0420  1.9390 -2.320000      3.878000  
1 1 1 13 13 58  o 11.000  1.8910 2.699000       3.781000  
1 1 1 13 13 59  o 7.8390  1.9170 -4.928000      3.834000  
1 1 1 13 13 60  o 6.9960  1.9980 -0.3004000     3.996000  
1 1 1 13 13 61  o 5.6230  1.8010 -0.4501000     3.601000  
1 1 1 13 13 62  o 5.7500  1.7910 1.777000       3.582000  
1 1 1 13 13 63  o 9.3150  2.1570 0.3782000      4.314000  
1 1 1 13 13 64  o 6.2700  1.9000 1.090000       3.800000  
1 1 1 13 13 65  o 6.7090  1.9920 -0.9861000     3.984000  
1 1 1 13 13 66  o 5.0320  1.6690 -0.9765000     3.337000  
1 1 1 13 13 67  o 5.4640  1.7590 0.1711000      3.518000  
1 1 1 13 13 68  o 5.8720  1.8640 -0.8522000     3.728000  
1 1 1 13 13 69  o 6.0220  1.9000 -0.6567000     3.801000  
1 1 1 13 13 70  o 5.5700  1.8220 -0.3455000     3.644000  
1 1 1 13 13 71  o 4.9560  1.6900 -1.446000      3.380000  
1 1 1 13 13 72  o 5.9630  1.8860 -2.604000      3.771000  
1 1 1 13 13 73  o 5.4370  1.7810 1.237000       3.562000  
1 1 1 13 13 74  o 5.4570  1.7800 1.515000       3.561000  
1 1 1 13 13 75  o 4.0220  1.4150 0.7707000      2.831000  
1 1 1 13 13 76  o 3.8460  1.3450 -0.3483000     2.689000  
1 1 1 13 13 77  o 4.9020  1.5940 1.817000       3.188000  
1 1 1 13 13 78  f 3.9730  1.4000 0.1480000      2.799000  
1 1 1 13 13 79  o 3.7680  1.8810 ?              ?         
1 1 1 13 14 0   o 30.760  0.6727 0.000000       0.000000  
1 1 1 13 14 1   o 34.320  0.5140 -0.6674000     1.028000  
1 1 1 13 14 2   o 43.280  0.6219 0.7083000      1.244000  
1 1 1 13 14 3   o 34.620  0.5164 -0.4134000     1.033000  
1 1 1 13 14 4   o 34.110  0.5134 -0.8383000E-01 1.027000  
1 1 1 13 14 5   o 22.040  0.4762 0.5614000      0.9524000 
1 1 1 13 14 6   o 23.710  0.4139 -0.7401000     0.8279000 
1 1 1 13 14 7   o 27.420  0.4761 -2.412000      0.9521000 
1 1 1 13 14 8   f 51.000  0.7832 0.7115000      1.566000  
1 1 1 13 14 9   o 52.560  0.7457 -0.6742000     1.491000  
1 1 1 13 14 10  o 27.760  0.7522 ?              ?         
1 1 1 13 14 11  o 56.320  0.7971 0.5378000E-01  1.594000  
1 1 1 13 14 12  f 29.020  0.6119 2.315000       1.224000  
1 1 1 13 14 13  o 14.640  0.4787 1.864000       0.9574000 
1 1 1 13 14 14  o 10.430  0.5327 0.3174000      1.065000  
1 1 1 13 14 15  o 25.230  0.4750 0.4142000      0.9499000 
1 1 1 13 14 16  o 24.400  0.4701 0.1701000      0.9403000 
1 1 1 13 14 17  o 16.440  0.4571 -0.8555000     0.9143000 
1 1 1 13 14 18  o 11.740  0.5579 0.2257000      1.116000  
1 1 1 13 14 19  o 9.1360  0.6896 -2.068000      1.379000  
1 1 1 13 14 20  o 33.880  0.5679 -0.2924000     1.136000  
1 1 1 13 14 21  o 39.960  0.6407 -0.1779000     1.281000  
1 1 1 13 14 22  o 11.660  0.8581 -9.116000      1.716000  
1 1 1 13 14 23  o 28.200  0.5148 -0.1647000     1.030000  
1 1 1 13 14 24  o 20.330  0.4868 1.767000       0.9736000 
1 1 1 13 14 25  f 47.870  0.7526 0.1073000E-01  1.505000  
1 1 1 13 14 26  o 17.170  0.7500 -4.140000      1.500000  
1 1 1 13 14 27  o 22.100  0.5549 0.1720000      1.110000  
1 1 1 13 14 28  o 15.760  0.7196 -3.200000      1.439000  
1 1 1 13 14 29  o 31.700  0.6168 -0.5188000     1.234000  
1 1 1 13 14 30  o 12.500  0.8003 4.354000       1.601000  
1 1 1 13 14 31  o 23.290  0.5573 -2.516000      1.115000  
1 1 1 13 14 32  o 28.780  0.5921 -0.8183000     1.184000  
1 1 1 13 14 33  f 14.170  0.6504 -0.5424000     1.301000  
1 1 1 13 14 34  o 14.580  0.6580 -0.9156000     1.316000  
1 1 1 13 14 35  o 18.750  0.6004 -0.6478000     1.201000  
1 1 1 13 14 36  o 9.1070  0.9523 -0.4604000     1.905000  
1 1 1 13 14 37  o 12.490  0.7490 -0.9145000     1.498000  
1 1 1 13 14 38  o 6.3100  1.1990 -3.003000      2.398000  
1 1 1 13 14 39  f 3.8770  1.1830 -0.3012000     2.366000  
1 1 1 13 14 40  o 8.8170  1.1020 0.3247000      2.204000  
1 1 1 13 14 41  o 9.2300  1.0530 0.7757000      2.106000  
1 1 1 13 14 42  o 24.020  0.6174 -2.270000      1.235000  
1 1 1 13 14 43  o 19.050  0.6605 -1.678000      1.321000  
1 1 1 13 14 44  o 13.600  0.7461 -0.3348000E-01 1.492000  
1 1 1 13 14 45  o 6.4090  1.4300 -1.318000      2.859000  
1 1 1 13 14 46  o 7.5500  1.4970 1.085000       2.994000  
1 1 1 13 14 47  f 10.930  1.2480 1.268000       2.496000  
1 1 1 13 14 48  o 4.6430  1.4120 1.039000       2.824000  
1 1 1 13 14 49  o 11.780  1.1860 -2.634000      2.371000  
1 1 1 13 14 50  o 9.5080  1.3460 0.7196000      2.692000  
1 1 1 13 14 51  o 4.6630  1.4100 1.305000       2.820000  
1 1 1 13 14 52  o 7.0110  1.5140 -1.096000      3.028000  
1 1 1 13 14 53  o 7.8920  1.5580 0.4054000      3.117000  
1 1 1 13 14 54  o 10.130  1.4760 0.2925000      2.951000  
1 1 1 13 14 55  o 6.3240  1.6570 0.1815000      3.313000  
1 1 1 13 14 56  o 7.6360  1.6220 -1.646000      3.244000  
1 1 1 13 14 57  o 5.3900  1.5330 -1.019000      3.066000  
1 1 1 13 14 58  o 5.5090  1.5900 -0.1974000     3.181000  
1 1 1 13 14 59  o 4.5210  1.4600 1.033000       2.921000  
1 1 1 13 14 60  o 4.8780  1.4600 -1.052000      2.921000  
1 1 1 13 14 61  o 6.6910  1.9650 0.5902000      3.930000  
1 1 1 13 14 62  o 7.0200  1.9890 -3.515000      3.978000  
1 1 1 13 14 63  o 5.3380  1.7280 0.6472000E-01  3.457000  
1 1 1 13 14 64  o 4.5850  1.5610 -0.3761000     3.121000  
1 1 1 13 14 65  o 7.5760  2.0500 -0.4828000     4.100000  
1 1 1 13 14 66  o 5.8230  1.8400 -1.213000      3.681000  
1 1 1 13 14 67  o 5.2240  1.7170 -0.1968000     3.433000  
1 1 1 13 14 68  o 4.7080  1.6060 -0.5233000     3.212000  
1 1 1 13 14 69  o 5.5780  1.8120 -0.7151000E-01 3.624000  
1 1 1 13 14 70  o 5.0440  1.6800 1.240000       3.360000  
1 1 1 13 14 71  o 5.3070  1.7510 0.1888000      3.501000  
1 1 1 13 14 72  o 5.5450  1.7920 0.6025000      3.585000  
1 1 1 13 14 73  o 4.6580  1.5890 -0.1707000     3.178000  
1 1 1 13 14 74  o 4.4090  1.5150 0.6233000      3.031000  
1 1 1 13 14 75  o 3.9000  1.3570 0.4890000      2.715000  
1 1 1 13 14 76  o 4.4800  1.4420 -1.590000      2.884000  
1 1 1 13 14 77  o 5.4260  2.4570 ?              ?         
1 1 1 13 15 0   o 16.010  0.6888 0.000000       0.000000  
1 1 1 13 15 1   o 20.190  0.4041 0.3038000E-02  0.8082000 
1 1 1 13 15 2   o 24.350  0.4217 -0.1080000     0.8434000 
1 1 1 13 15 3   f 20.890  0.4053 0.3414000      0.8107000 
1 1 1 13 15 4   f 18.710  0.4045 0.4545000      0.8090000 
1 1 1 13 15 5   o 14.340  0.4755 0.4593000      0.9510000 
1 1 1 13 15 6   o 6.6240  1.0100 -4.307000      2.019000  
1 1 1 13 15 7   o 26.450  0.4836 -1.400000      0.9673000 
1 1 1 13 15 8   o 28.330  0.4640 -1.299000      0.9280000 
1 1 1 13 15 9   o 15.780  0.5697 -1.655000      1.139000  
1 1 1 13 15 10  o 34.520  0.5240 -0.7589000     1.048000  
1 1 1 13 15 11  o 34.910  0.5731 -2.270000      1.146000  
1 1 1 13 15 12  o 50.330  0.7209 -0.1428000     1.442000  
1 1 1 13 15 13  o 41.160  0.6044 1.402000       1.209000  
1 1 1 13 15 14  o 24.420  0.6210 5.635000       1.242000  
1 1 1 13 15 15  o 23.010  0.4766 1.425000       0.9532000 
1 1 1 13 15 16  o 27.350  0.4976 -1.287000      0.9952000 
1 1 1 13 15 17  o 22.610  0.4728 -2.240000      0.9456000 
1 1 1 13 15 18  o 27.830  0.5091 0.3646000      1.018000  
1 1 1 13 15 19  o 37.940  0.6188 -2.154000      1.238000  
1 1 1 13 15 20  o 14.320  0.7292 -0.7989000     1.458000  
1 1 1 13 15 21  f 53.980  0.8969 0.5998000      1.794000  
1 1 1 13 15 22  o 21.880  0.6156 1.034000       1.231000  
1 1 1 13 15 23  f 38.570  0.6317 0.9795000E-01  1.263000  
1 1 1 13 15 24  o 24.960  0.5735 0.2391000      1.147000  
1 1 1 13 15 25  o 28.180  0.5290 -1.785000      1.058000  
1 1 1 13 15 26  o 8.2850  0.9801 -4.755000      1.960000  
1 1 1 13 15 27  o 16.730  0.5658 -1.540000      1.132000  
1 1 1 13 15 28  o 10.980  0.7648 -2.399000      1.530000  
1 1 1 13 15 29  o 19.680  0.6833 4.489000       1.367000  
1 1 1 13 15 30  o 23.080  0.5669 -1.073000      1.134000  
1 1 1 13 15 31  o 14.440  0.6437 -0.4881000     1.287000  
1 1 1 13 15 32  o 7.5380  1.1440 -1.383000      2.287000  
1 1 1 13 15 33  o 10.340  0.8651 -2.216000      1.730000  
1 1 1 13 15 34  o 7.8820  1.1020 1.243000       2.203000  
1 1 1 13 15 35  o 19.660  0.5913 -2.078000      1.183000  
1 1 1 13 15 36  o 13.970  0.6832 0.2433000      1.366000  
1 1 1 13 15 37  o 4.8760  1.2500 -2.094000      2.499000  
1 1 1 13 15 38  o 10.470  0.8781 -1.406000      1.756000  
1 1 1 13 15 39  o 12.310  0.7797 -1.184000      1.559000  
1 1 1 13 15 40  o 20.580  0.6098 -0.6463000     1.220000  
1 1 1 13 15 41  o 17.590  0.6532 0.6475000      1.306000  
1 1 1 13 15 42  f 9.1560  1.0430 -0.3752000     2.085000  
1 1 1 13 15 43  f 8.6970  1.1060 0.2565000      2.211000  
1 1 1 13 15 44  o 11.480  0.8590 1.876000       1.718000  
1 1 1 13 15 45  o 12.570  0.8023 -0.4567000     1.605000  
1 1 1 13 15 46  o 14.480  0.7390 -1.793000      1.478000  
1 1 1 13 15 47  o 6.4740  1.3330 -1.647000      2.666000  
1 1 1 13 15 48  o 13.980  0.7400 1.462000       1.480000  
1 1 1 13 15 49  o 10.240  1.3170 -0.9037000     2.634000  
1 1 1 13 15 50  o 9.2130  1.4020 -2.270000      2.804000  
1 1 1 13 15 51  o 6.2240  1.5150 0.2866000      3.030000  
1 1 1 13 15 52  o 6.1890  1.4080 -2.706000      2.816000  
1 1 1 13 15 53  o 12.570  1.0450 0.1323000      2.089000  
1 1 1 13 15 54  o 6.4930  1.5680 0.2183000      3.136000  
1 1 1 13 15 55  o 5.8200  1.5710 2.343000       3.141000  
1 1 1 13 15 56  o 6.0510  1.6290 0.6320000      3.258000  
1 1 1 13 15 57  o 5.4520  1.6000 2.720000       3.200000  
1 1 1 13 15 58  o 5.7070  1.6330 0.3493000      3.267000  
1 1 1 13 15 59  o 4.9520  1.5490 0.5596000      3.098000  
1 1 1 13 15 60  o 7.9340  1.7190 -0.1986000E-01 3.439000  
1 1 1 13 15 61  o 5.8270  1.6560 2.405000       3.312000  
1 1 1 13 15 62  o 3.8730  1.3140 0.7771000      2.627000  
1 1 1 13 15 63  o 6.1150  1.6110 -0.8648000     3.223000  
1 1 1 13 15 64  o 4.5460  1.4660 1.136000       2.931000  
1 1 1 13 15 65  o 5.5240  1.6360 2.939000       3.272000  
1 1 1 13 15 66  f 5.5060  1.7720 0.3049000      3.544000  
1 1 1 13 15 67  o 5.5170  1.7300 2.385000       3.460000  
1 1 1 13 15 68  o 4.7170  1.5920 0.9497000      3.184000  
1 1 1 13 15 69  f 4.8670  1.6430 -0.3600000     3.286000  
1 1 1 13 15 70  f 4.5790  1.5640 -0.1523000     3.128000  
1 1 1 13 15 71  o 5.1480  1.7110 -0.2969000     3.422000  
1 1 1 13 15 72  o 4.7950  1.6000 -1.285000      3.201000  
1 1 1 13 15 73  o 3.8440  1.3410 0.2187000      2.681000  
1 1 1 13 15 74  o 4.2850  1.4550 0.8684000      2.911000  
1 1 1 13 15 75  o 4.9450  2.3210 ?              ?         
1 1 1 13 16 0   o 7.8090  1.0410 0.000000       0.000000  
1 1 1 13 16 1   o 9.2970  0.6080 0.6391000      1.216000  
1 1 1 13 16 2   o 10.850  0.5504 0.2143000      1.101000  
1 1 1 13 16 3   o 18.800  0.4204 0.4685000      0.8409000 
1 1 1 13 16 4   o 14.260  0.4559 1.262000       0.9119000 
1 1 1 13 16 5   o 16.200  0.4845 -1.988000      0.9691000 
1 1 1 13 16 6   o 35.840  0.5871 -2.933000      1.174000  
1 1 1 13 16 7   o 19.630  0.5003 1.633000       1.001000  
1 1 1 13 16 8   o 9.7420  0.8879 -1.421000      1.776000  
1 1 1 13 16 9   o 28.260  0.5023 -0.5441000     1.005000  
1 1 1 13 16 10  o 12.740  0.5978 1.885000       1.196000  
1 1 1 13 16 11  o 25.520  0.4458 -1.144000      0.8915000 
1 1 1 13 16 12  o 32.590  0.5091 1.904000       1.018000  
1 1 1 13 16 13  o 30.630  0.5867 0.1454000      1.173000  
1 1 1 13 16 14  o 46.420  0.6728 0.5635000      1.346000  
1 1 1 13 16 15  o 28.070  0.5392 6.076000       1.078000  
1 1 1 13 16 16  o 22.890  0.5507 0.4273000      1.101000  
1 1 1 13 16 17  o 30.750  0.4940 -1.539000      0.9879000 
1 1 1 13 16 18  o 9.8370  1.0380 -2.893000      2.076000  
1 1 1 13 16 19  o 30.110  0.5316 0.5375000      1.063000  
1 1 1 13 16 20  o 32.250  0.5659 -2.132000      1.132000  
1 1 1 13 16 21  o 18.430  0.5827 -4.595000      1.165000  
1 1 1 13 16 22  o 9.3890  0.9576 -6.686000      1.915000  
1 1 1 13 16 23  o 27.830  0.5208 -0.6171000     1.042000  
1 1 1 13 16 24  o 12.640  0.7488 2.639000       1.498000  
1 1 1 13 16 25  o 15.340  0.5489 -0.9581000     1.098000  
1 1 1 13 16 26  o 13.770  0.5733 -0.4995000     1.147000  
1 1 1 13 16 27  o 16.190  0.5391 -1.795000      1.078000  
1 1 1 13 16 28  o 12.510  0.6257 -0.4070000     1.251000  
1 1 1 13 16 29  o 5.3780  1.2290 1.654000       2.459000  
1 1 1 13 16 30  o 16.430  0.6072 0.4810000      1.214000  
1 1 1 13 16 31  o 18.940  0.5836 0.8590000E-01  1.167000  
1 1 1 13 16 32  o 31.750  0.6354 -1.588000      1.271000  
1 1 1 13 16 33  f 13.890  0.8185 4.202000       1.637000  
1 1 1 13 16 34  o 33.780  0.6604 0.4960000      1.321000  
1 1 1 13 16 35  o 8.4890  1.3540 1.044000       2.708000  
1 1 1 13 16 36  o 12.110  0.7661 -1.372000      1.532000  
1 1 1 13 16 37  o 9.3980  1.0070 2.016000       2.013000  
1 1 1 13 16 38  o 7.9980  1.1400 2.993000       2.279000  
1 1 1 13 16 39  o 24.030  0.6058 -1.305000      1.212000  
1 1 1 13 16 40  o 12.680  0.7595 -0.8504000E-01 1.519000  
1 1 1 13 16 41  o 9.9750  0.9351 0.8950000E-01  1.870000  
1 1 1 13 16 42  o 16.680  0.6772 -0.4676000     1.354000  
1 1 1 13 16 43  o 8.4890  1.1130 -0.1489000     2.226000  
1 1 1 13 16 44  o 9.3540  1.0260 1.424000       2.052000  
1 1 1 13 16 45  o 5.4680  1.3400 0.7145000      2.681000  
1 1 1 13 16 46  o 19.040  0.6467 -0.9954000     1.293000  
1 1 1 13 16 47  o 18.260  0.6542 -0.5517000     1.308000  
1 1 1 13 16 48  o 10.910  0.9352 -0.1457000     1.870000  
1 1 1 13 16 49  o 8.7170  1.2010 -1.206000      2.403000  
1 1 1 13 16 50  o 4.3030  1.2760 0.1263000      2.552000  
1 1 1 13 16 51  o 4.2720  1.2900 -0.6265000     2.580000  
1 1 1 13 16 52  o 4.6640  1.3220 0.6543000      2.643000  
1 1 1 13 16 53  o 6.8260  1.5600 3.209000       3.120000  
1 1 1 13 16 54  o 4.5690  1.4150 0.9169000      2.831000  
1 1 1 13 16 55  o 3.8510  1.2920 2.120000       2.584000  
1 1 1 13 16 56  o 5.6670  1.5250 -1.472000      3.049000  
1 1 1 13 16 57  o 11.130  1.3420 -0.2545000     2.683000  
1 1 1 13 16 58  o 4.8270  1.4860 2.579000       2.971000  
1 1 1 13 16 59  o 4.4460  1.4130 0.2713000      2.825000  
1 1 1 13 16 60  o 5.7420  1.4930 -2.522000      2.986000  
1 1 1 13 16 61  o 7.1590  1.6790 1.039000       3.359000  
1 1 1 13 16 62  o 4.4320  1.4320 1.060000       2.863000  
1 1 1 13 16 63  o 5.6570  1.5800 0.4787000      3.160000  
1 1 1 13 16 64  o 3.8570  1.3090 0.8269000      2.617000  
1 1 1 13 16 65  o 4.2140  1.3950 0.9557000      2.791000  
1 1 1 13 16 66  o 3.9060  1.3140 0.5470000      2.628000  
1 1 1 13 16 67  o 5.1940  1.5820 1.439000       3.163000  
1 1 1 13 16 68  o 4.8100  1.3920 -1.810000      2.784000  
1 1 1 13 16 69  o 4.2820  1.4170 0.7716000      2.833000  
1 1 1 13 16 70  o 4.6690  1.4840 0.5791000      2.967000  
1 1 1 13 16 71  o 4.5760  1.5300 -0.4462000     3.059000  
1 1 1 13 16 72  o 3.6670  1.2860 0.5674000      2.572000  
1 1 1 13 16 73  o 4.5530  2.1810 ?              ?         
1 1 1 13 17 0   o 25.380  0.6233 0.000000       0.000000  
1 1 1 13 17 1   o 11.340  0.8244 3.135000       1.649000  
1 1 1 13 17 2   o 20.010  0.4283 -0.5758000     0.8565000 
1 1 1 13 17 3   o 15.850  0.4437 -0.2738000E-01 0.8874000 
1 1 1 13 17 4   o 19.650  0.4218 -0.5835000     0.8437000 
1 1 1 13 17 5   o 18.110  0.4274 -0.6678000     0.8548000 
1 1 1 13 17 6   o 8.7260  0.6682 -1.720000      1.336000  
1 1 1 13 17 7   o 13.230  0.4770 -0.6083000E-01 0.9541000 
1 1 1 13 17 8   o 18.090  0.4298 -0.1535000     0.8596000 
1 1 1 13 17 9   o 19.030  0.4300 0.2269000      0.8600000 
1 1 1 13 17 10  f 22.230  0.4416 -0.1034000     0.8832000 
1 1 1 13 17 11  o 29.750  0.4846 0.4947000      0.9691000 
1 1 1 13 17 12  o 14.190  0.7596 1.910000       1.519000  
1 1 1 13 17 13  o 10.850  0.5592 0.4461000      1.118000  
1 1 1 13 17 14  o 10.160  0.5959 -0.4437000     1.192000  
1 1 1 13 17 15  f 15.490  0.4730 0.3248000      0.9460000 
1 1 1 13 17 16  o 26.750  0.4665 -0.2859000     0.9330000 
1 1 1 13 17 17  o 12.070  0.6507 -0.3171000     1.301000  
1 1 1 13 17 18  o 25.540  0.4571 -0.2487000     0.9142000 
1 1 1 13 17 19  o 13.530  0.6919 -6.286000      1.384000  
1 1 1 13 17 20  o 16.360  0.5330 3.579000       1.066000  
1 1 1 13 17 21  o 18.910  0.5008 -2.172000      1.002000  
1 1 1 13 17 22  o 13.850  0.6393 0.3961000      1.279000  
1 1 1 13 17 23  o 29.760  0.5423 2.315000       1.085000  
1 1 1 13 17 24  f 22.990  0.5595 -5.588000      1.119000  
1 1 1 13 17 25  o 16.570  0.5453 1.437000       1.091000  
1 1 1 13 17 26  o 14.780  0.5788 -0.4576000     1.158000  
1 1 1 13 17 27  o 18.010  0.5314 -0.9071000     1.063000  
1 1 1 13 17 28  o 15.190  0.5683 1.082000       1.137000  
1 1 1 13 17 29  o 9.8630  0.7558 -2.016000      1.512000  
1 1 1 13 17 30  o 11.370  0.7727 -1.125000      1.545000  
1 1 1 13 17 31  o 13.670  0.6916 0.3409000      1.383000  
1 1 1 13 17 32  o 12.430  0.7345 -1.394000      1.469000  
1 1 1 13 17 33  o 8.6180  1.0850 -5.513000      2.170000  
1 1 1 13 17 34  o 24.630  0.6593 -1.477000      1.319000  
1 1 1 13 17 35  o 15.610  0.6696 -1.978000      1.339000  
1 1 1 13 17 36  o 18.740  0.6114 1.422000       1.223000  
1 1 1 13 17 37  o 16.050  0.6557 -0.1155000     1.311000  
1 1 1 13 17 38  o 6.5040  1.2130 3.486000       2.425000  
1 1 1 13 17 39  o 8.0380  1.1460 1.964000       2.292000  
1 1 1 13 17 40  o 5.9280  1.3260 -0.9701000     2.652000  
1 1 1 13 17 41  o 4.9480  1.3130 -0.7169000     2.626000  
1 1 1 13 17 42  o 7.9940  1.1750 0.9622000      2.350000  
1 1 1 13 17 43  o 17.380  0.6727 -0.3023000     1.345000  
1 1 1 13 17 44  o 13.860  0.7708 1.875000       1.542000  
1 1 1 13 17 45  f 17.140  0.6947 -0.5138000     1.389000  
1 1 1 13 17 46  f 11.800  0.8885 0.3585000      1.777000  
1 1 1 13 17 47  o 11.140  0.9222 -0.2628000     1.844000  
1 1 1 13 17 48  o 7.8630  1.2640 1.452000       2.527000  
1 1 1 13 17 49  o 10.020  1.0450 -2.046000      2.091000  
1 1 1 13 17 50  o 11.180  0.9664 2.002000       1.933000  
1 1 1 13 17 51  o 3.9660  1.2300 -1.193000      2.460000  
1 1 1 13 17 52  o 4.7780  1.3470 1.264000       2.693000  
1 1 1 13 17 53  o 5.6840  1.4310 1.420000       2.862000  
1 1 1 13 17 54  o 7.1300  1.4210 1.613000       2.841000  
1 1 1 13 17 55  o 4.8590  1.3840 0.8256000      2.769000  
1 1 1 13 17 56  o 4.7080  1.2660 -2.898000      2.533000  
1 1 1 13 17 57  o 4.1680  1.2740 1.003000       2.548000  
1 1 1 13 17 58  f 5.7260  1.5460 0.4016000      3.091000  
1 1 1 13 17 59  o 5.7180  1.5030 -0.6867000     3.005000  
1 1 1 13 17 60  o 6.6720  1.4790 -2.388000      2.957000  
1 1 1 13 17 61  o 5.1630  1.5320 1.891000       3.064000  
1 1 1 13 17 62  o 5.4270  1.4650 -1.908000      2.930000  
1 1 1 13 17 63  f 4.6410  1.4650 0.8734000      2.929000  
1 1 1 13 17 64  o 5.8420  1.5430 -1.683000      3.086000  
1 1 1 13 17 65  o 4.4130  1.4170 0.8509000      2.834000  
1 1 1 13 17 66  o 3.7070  1.2640 1.139000       2.529000  
1 1 1 13 17 67  o 5.8020  1.6030 1.136000       3.206000  
1 1 1 13 17 68  o 3.8810  1.2810 -0.4809000     2.563000  
1 1 1 13 17 69  o 7.2280  1.6850 4.831000       3.371000  
1 1 1 13 17 70  o 4.1420  1.3900 2.078000       2.781000  
1 1 1 13 17 71  o 3.7750  1.8640 ?              ?         
1 1 1 13 18 0   o 11.170  0.7924 -0.000000      0.000000  
1 1 1 13 18 1   o 15.400  0.4588 -0.1857000     0.9177000 
1 1 1 13 18 2   o 12.330  0.7233 -7.161000      1.447000  
1 1 1 13 18 3   o 22.140  0.4778 -1.526000      0.9556000 
1 1 1 13 18 4   o 24.420  0.4484 0.8547000      0.8968000 
1 1 1 13 18 5   o 11.810  0.6570 -0.7757000     1.314000  
1 1 1 13 18 6   o 22.090  0.4844 -2.866000      0.9688000 
1 1 1 13 18 7   o 36.400  0.6059 -1.458000      1.212000  
1 1 1 13 18 8   o 22.610  0.5852 10.01000       1.170000  
1 1 1 13 18 9   o 24.780  0.4538 -0.4416000     0.9075000 
1 1 1 13 18 10  o 22.410  0.5251 -3.620000      1.050000  
1 1 1 13 18 11  o 8.4630  0.9100 -4.748000      1.820000  
1 1 1 13 18 12  o 24.810  0.4986 -0.9381000     0.9972000 
1 1 1 13 18 13  o 19.790  0.4886 -1.384000      0.9772000 
1 1 1 13 18 14  o 25.120  0.4551 -0.2352000     0.9101000 
1 1 1 13 18 15  o 20.810  0.4478 0.7041000      0.8956000 
1 1 1 13 18 16  o 20.690  0.4508 -0.6907000     0.9015000 
1 1 1 13 18 17  f 9.6660  0.6717 0.9748000      1.343000  
1 1 1 13 18 18  o 12.070  0.5608 -0.1518000     1.122000  
1 1 1 13 18 19  o 16.910  0.4656 0.6857000E-01  0.9312000 
1 1 1 13 18 20  o 12.980  0.5289 0.7549000E-01  1.058000  
1 1 1 13 18 21  o 11.630  0.8313 3.001000       1.663000  
1 1 1 13 18 22  o 31.900  0.5730 0.7273000      1.146000  
1 1 1 13 18 23  o 7.0770  1.2290 -2.618000      2.457000  
1 1 1 13 18 24  o 5.2150  1.1570 -2.178000      2.314000  
1 1 1 13 18 25  o 16.330  0.5393 0.8214000      1.079000  
1 1 1 13 18 26  o 7.2300  1.0230 -3.823000      2.046000  
1 1 1 13 18 27  o 4.9920  1.1960 0.1368000      2.393000  
1 1 1 13 18 28  o 17.050  0.5409 -0.1897000     1.082000  
1 1 1 13 18 29  o 11.590  0.6702 -0.2610000     1.340000  
1 1 1 13 18 30  o 15.610  0.5823 1.271000       1.165000  
1 1 1 13 18 31  o 21.770  0.5842 0.3475000      1.168000  
1 1 1 13 18 32  o 15.040  0.6629 -1.937000      1.326000  
1 1 1 13 18 33  o 16.670  0.6417 0.2426000      1.283000  
1 1 1 13 18 34  o 24.530  0.5980 -0.1453000E-01 1.196000  
1 1 1 13 18 35  o 10.400  0.8962 2.277000       1.792000  
1 1 1 13 18 36  o 8.6800  1.0350 -0.5869000     2.070000  
1 1 1 13 18 37  o 10.470  0.9009 1.633000       1.802000  
1 1 1 13 18 38  o 4.2170  1.2350 -1.582000      2.471000  
1 1 1 13 18 39  o 6.5310  1.2920 1.692000       2.585000  
1 1 1 13 18 40  o 8.5610  1.1330 0.2063000      2.266000  
1 1 1 13 18 41  o 7.0120  1.2930 1.235000       2.586000  
1 1 1 13 18 42  o 11.420  0.8801 2.427000       1.760000  
1 1 1 13 18 43  o 4.3030  1.2450 1.862000       2.489000  
1 1 1 13 18 44  f 7.3100  1.2940 -0.5375000     2.587000  
1 1 1 13 18 45  o 6.0810  1.3560 0.7424000      2.712000  
1 1 1 13 18 46  f 4.4480  1.2960 -0.3540000     2.591000  
1 1 1 13 18 47  o 3.9360  1.2030 -1.479000      2.406000  
1 1 1 13 18 48  o 6.2460  1.3600 1.737000       2.719000  
1 1 1 13 18 49  o 4.9820  1.3680 0.1538000      2.736000  
1 1 1 13 18 50  o 9.4080  1.1760 -1.129000      2.353000  
1 1 1 13 18 51  o 8.6360  1.2350 -0.8704000     2.471000  
1 1 1 13 18 52  o 8.2560  1.2820 -0.7920000     2.564000  
1 1 1 13 18 53  o 4.2330  1.2780 0.3634000      2.557000  
1 1 1 13 18 54  o 3.4430  1.1390 0.4192000      2.279000  
1 1 1 13 18 55  f 7.0400  1.3730 -1.126000      2.746000  
1 1 1 13 18 56  o 3.9450  1.2300 -0.3861000     2.460000  
1 1 1 13 18 57  o 6.1980  1.4200 0.9252000      2.840000  
1 1 1 13 18 58  o 5.6170  1.2640 3.846000       2.529000  
1 1 1 13 18 59  o 3.8150  1.1930 -1.078000      2.386000  
1 1 1 13 18 60  o 4.6360  1.3460 0.3666000      2.693000  
1 1 1 13 18 61  f 8.3400  1.2720 -0.7194000     2.544000  
1 1 1 13 18 62  o 4.7970  1.4510 1.256000       2.903000  
1 1 1 13 18 63  o 4.4460  1.4040 1.978000       2.807000  
1 1 1 13 18 64  o 3.7060  1.2460 0.3651000      2.493000  
1 1 1 13 18 65  o 3.4320  1.1670 -0.1755000     2.333000  
1 1 1 13 18 66  f 3.7810  1.2480 0.5067000      2.495000  
1 1 1 13 18 67  o 3.7490  1.2140 -0.3958000     2.428000  
1 1 1 13 18 68  o 4.1680  1.3850 1.233000       2.770000  
1 1 1 13 19 0   f 1.9910  1.3540 0.000000       0.000000  
1 1 1 13 19 1   o 4.3460  1.0790 -1.244000      2.157000  
1 1 1 13 19 2   o 12.720  0.5180 0.5297000E-02  1.036000  
1 1 1 13 19 3   o 9.2700  0.6691 -0.4180000     1.338000  
1 1 1 13 19 4   o 7.6010  0.8124 0.8620000E-01  1.625000  
1 1 1 13 19 5   f 10.960  0.5806 -0.8434000     1.161000  
1 1 1 13 19 6   o 12.240  0.5926 -1.364000      1.185000  
1 1 1 13 19 7   o 22.700  0.4506 0.2708000E-01  0.9012000 
1 1 1 13 19 8   o 19.530  0.4515 -1.015000      0.9029000 
1 1 1 13 19 9   o 27.150  0.4764 -1.583000      0.9527000 
1 1 1 13 19 10  o 11.120  0.7375 5.193000       1.475000  
1 1 1 13 19 11  o 21.630  0.4921 -1.981000      0.9842000 
1 1 1 13 19 12  o 17.110  0.5551 1.960000       1.110000  
1 1 1 13 19 13  o 8.4910  0.8725 -2.458000      1.745000  
1 1 1 13 19 14  o 18.310  0.4546 -1.006000      0.9093000 
1 1 1 13 19 15  o 11.850  0.6583 0.8721000      1.317000  
1 1 1 13 19 16  o 23.180  0.4573 -0.4037000     0.9147000 
1 1 1 13 19 17  o 23.590  0.4738 1.721000       0.9477000 
1 1 1 13 19 18  o 7.8140  1.0380 5.730000       2.077000  
1 1 1 13 19 19  o 14.550  0.5159 -0.5383000     1.032000  
1 1 1 13 19 20  o 19.430  0.4719 0.5505000      0.9438000 
1 1 1 13 19 21  o 20.950  0.4706 -0.3830000     0.9412000 
1 1 1 13 19 22  o 5.8160  1.1640 2.245000       2.328000  
1 1 1 13 19 23  o 14.360  0.5759 0.5702000      1.152000  
1 1 1 13 19 24  o 16.280  0.5425 -0.9706000     1.085000  
1 1 1 13 19 25  o 25.360  0.5248 2.127000       1.050000  
1 1 1 13 19 26  o 23.790  0.5254 -0.6496000     1.051000  
1 1 1 13 19 27  o 16.520  0.5779 1.927000       1.156000  
1 1 1 13 19 28  o 17.530  0.5557 0.3031000      1.111000  
1 1 1 13 19 29  f 12.410  0.6654 -4.189000      1.331000  
1 1 1 13 19 30  o 20.270  0.5410 2.905000       1.082000  
1 1 1 13 19 31  o 10.900  0.7386 -0.8941000     1.477000  
1 1 1 13 19 32  o 7.6240  1.1560 -3.367000      2.311000  
1 1 1 13 19 33  o 11.570  0.8142 -2.776000      1.628000  
1 1 1 13 19 34  o 13.830  0.7111 -0.7025000     1.422000  
1 1 1 13 19 35  o 8.2250  1.0980 2.310000       2.197000  
1 1 1 13 19 36  o 8.0260  1.1420 -2.036000      2.284000  
1 1 1 13 19 37  o 15.860  0.6887 -0.6907000     1.377000  
1 1 1 13 19 38  o 13.150  0.7831 0.6261000      1.566000  
1 1 1 13 19 39  f 6.9760  1.2860 -0.3939000     2.571000  
1 1 1 13 19 40  o 9.2320  1.0700 -0.1755000     2.141000  
1 1 1 13 19 41  o 12.710  0.8142 1.120000       1.628000  
1 1 1 13 19 42  o 9.8030  1.0260 -0.9303000     2.052000  
1 1 1 13 19 43  o 5.3260  1.3370 1.216000       2.673000  
1 1 1 13 19 44  o 11.330  0.8875 -0.1707000     1.775000  
1 1 1 13 19 45  o 5.9760  1.3480 -2.013000      2.696000  
1 1 1 13 19 46  f 4.2760  1.2610 0.1323000      2.522000  
1 1 1 13 19 47  o 7.3490  1.2880 -1.146000      2.576000  
1 1 1 13 19 48  o 5.5890  1.3660 1.738000       2.731000  
1 1 1 13 19 49  o 4.8430  1.3250 2.083000       2.649000  
1 1 1 13 19 50  o 8.3550  1.2610 -1.699000      2.522000  
1 1 1 13 19 51  o 4.3020  1.2820 1.632000       2.564000  
1 1 1 13 19 52  o 4.8410  1.3360 1.734000       2.672000  
1 1 1 13 19 53  o 7.3180  1.3470 0.3685000      2.695000  
1 1 1 13 19 54  o 3.7610  1.1970 0.7854000      2.394000  
1 1 1 13 19 55  o 4.1260  1.2660 0.2040000      2.532000  
1 1 1 13 19 56  o 3.7100  1.2010 0.8938000      2.402000  
1 1 1 13 19 57  o 7.1780  1.3840 1.785000       2.768000  
1 1 1 13 19 58  o 3.5510  1.1520 -1.294000      2.304000  
1 1 1 13 19 59  o 6.5690  1.4650 1.120000       2.930000  
1 1 1 13 19 60  o 4.2440  1.2980 -0.6206000     2.596000  
1 1 1 13 19 61  o 4.3760  1.3300 -0.2322000     2.660000  
1 1 1 13 19 62  o 4.0740  1.2740 0.8414000      2.549000  
1 1 1 13 19 63  o 3.4630  1.1440 0.6072000      2.288000  
1 1 1 13 19 64  f 4.5180  1.3020 -0.3270000     2.604000  
1 1 1 13 19 65  f 4.0850  1.2800 0.2309000      2.560000  
1 1 1 13 19 66  o 4.3660  2.1470 ?              ?         
1 1 1 13 20 0   o 5.4960  2.0030 0.000000       0.000000  
1 1 1 13 20 1   o 14.570  0.4948 0.6500000      0.9896000 
1 1 1 13 20 2   o 10.780  0.6797 -2.068000      1.359000  
1 1 1 13 20 3   o 20.050  0.4494 0.9085000      0.8988000 
1 1 1 13 20 4   o 15.110  0.5308 1.095000       1.062000  
1 1 1 13 20 5   o 8.9930  0.7166 0.3872000      1.433000  
1 1 1 13 20 6   o 10.350  0.6150 -0.8894000E-01 1.230000  
1 1 1 13 20 7   o 8.2120  0.7737 -0.9866000     1.547000  
1 1 1 13 20 8   o 9.2280  0.6960 -0.4914000     1.392000  
1 1 1 13 20 9   o 18.780  0.4596 0.3175000      0.9191000 
1 1 1 13 20 10  o 10.080  0.7293 0.3170000E-01  1.459000  
1 1 1 13 20 11  o 13.210  0.5871 -0.8750000     1.174000  
1 1 1 13 20 12  o 27.630  0.5378 -2.071000      1.076000  
1 1 1 13 20 13  o 25.250  0.5184 1.854000       1.037000  
1 1 1 13 20 14  o 12.470  0.7043 -0.5128000     1.409000  
1 1 1 13 20 15  o 16.940  0.4804 -0.5945000     0.9609000 
1 1 1 13 20 16  o 15.970  0.4960 -0.8006000     0.9920000 
1 1 1 13 20 17  o 20.130  0.4570 -0.5354000     0.9141000 
1 1 1 13 20 18  o 8.4850  0.9440 1.381000       1.888000  
1 1 1 13 20 19  f 19.330  0.4621 -1.514000      0.9241000 
1 1 1 13 20 20  o 8.1530  0.9277 2.597000       1.855000  
1 1 1 13 20 21  o 16.670  0.4957 -2.055000      0.9915000 
1 1 1 13 20 22  o 19.750  0.4810 1.214000       0.9619000 
1 1 1 13 20 23  o 11.780  0.7684 -3.132000      1.537000  
1 1 1 13 20 24  o 5.9470  1.1060 -3.092000      2.212000  
1 1 1 13 20 25  o 5.1730  1.1760 0.8956000      2.353000  
1 1 1 13 20 26  o 17.410  0.5422 0.6803000      1.084000  
1 1 1 13 20 27  o 5.4330  1.1760 2.267000       2.353000  
1 1 1 13 20 28  f 19.010  0.5463 -0.1440000     1.093000  
1 1 1 13 20 29  o 11.080  0.9672 5.041000       1.934000  
1 1 1 13 20 30  o 6.6450  1.1500 -0.5494000     2.300000  
1 1 1 13 20 31  o 4.8370  1.2130 -1.156000      2.427000  
1 1 1 13 20 32  o 7.2500  1.1040 -0.1012000E-01 2.208000  
1 1 1 13 20 33  o 18.620  0.5648 1.138000       1.130000  
1 1 1 13 20 34  o 12.240  0.7754 0.9245000E-01  1.551000  
1 1 1 13 20 35  o 11.850  0.8077 0.7264000      1.615000  
1 1 1 13 20 36  o 9.4530  1.0200 -0.8574000     2.040000  
1 1 1 13 20 37  o 14.210  0.7381 -0.7335000     1.476000  
1 1 1 13 20 38  o 9.4240  1.0610 2.546000       2.122000  
1 1 1 13 20 39  o 4.7820  1.3230 0.4268000      2.647000  
1 1 1 13 20 40  o 4.8360  1.3380 -0.4573000     2.676000  
1 1 1 13 20 41  o 6.3640  1.3380 -1.469000      2.676000  
1 1 1 13 20 42  o 17.050  0.6816 1.067000       1.363000  
1 1 1 13 20 43  o 7.2880  1.3390 2.397000       2.677000  
1 1 1 13 20 44  f 5.5610  1.3680 -0.3989000     2.736000  
1 1 1 13 20 45  f 6.1430  1.3730 1.252000       2.746000  
1 1 1 13 20 46  f 6.8520  1.3550 0.3717000      2.710000  
1 1 1 13 20 47  o 5.7650  1.4090 -0.2377000     2.819000  
1 1 1 13 20 48  o 4.3560  1.2950 0.2197000      2.590000  
1 1 1 13 20 49  o 4.2160  1.2520 -1.384000      2.504000  
1 1 1 13 20 50  o 5.7050  1.4110 0.9591000      2.823000  
1 1 1 13 20 51  o 4.3560  1.2970 0.8820000E-01  2.593000  
1 1 1 13 20 52  f 4.8850  1.3480 -1.007000      2.695000  
1 1 1 13 20 53  o 8.0990  1.2360 4.376000       2.472000  
1 1 1 13 20 54  o 4.5260  1.3250 -0.3877000     2.651000  
1 1 1 13 20 55  o 8.2660  1.3140 0.4445000      2.628000  
1 1 1 13 20 56  o 5.7800  1.4060 -1.331000      2.813000  
1 1 1 13 20 57  f 4.0680  1.2700 -0.2941000     2.540000  
1 1 1 13 20 58  o 4.8380  1.3320 2.297000       2.664000  
1 1 1 13 20 59  o 3.8280  1.2280 0.9963000      2.456000  
1 1 1 13 20 60  o 4.4230  1.3190 0.5772000      2.638000  
1 1 1 13 20 61  o 6.0610  1.3830 -1.050000      2.765000  
1 1 1 13 20 62  o 3.9240  1.2740 1.002000       2.547000  
1 1 1 13 20 63  o 3.7100  1.8780 ?              ?         
1 1 1 13 21 0   o 9.1380  1.0610 -0.000000      0.000000  
1 1 1 13 21 1   o 12.080  0.5588 0.6390000      1.118000  
1 1 1 13 21 2   o 18.650  0.4715 1.448000       0.9430000 
1 1 1 13 21 3   o 17.950  0.4669 -0.5051000     0.9338000 
1 1 1 13 21 4   f 13.620  0.6117 2.384000       1.223000  
1 1 1 13 21 5   o 9.0290  0.7466 -2.740000      1.493000  
1 1 1 13 21 6   o 8.6300  0.7469 0.9514000E-01  1.494000  
1 1 1 13 21 7   o 17.030  0.4732 0.3870000E-01  0.9465000 
1 1 1 13 21 8   o 16.420  0.4773 0.4359000      0.9545000 
1 1 1 13 21 9   o 11.930  0.5917 -2.071000      1.183000  
1 1 1 13 21 10  o 12.810  0.5393 0.3948000E-01  1.079000  
1 1 1 13 21 11  o 10.330  0.6856 4.407000       1.371000  
1 1 1 13 21 12  f 13.810  0.5207 -0.4286000     1.041000  
1 1 1 13 21 13  o 9.1820  0.8345 3.308000       1.669000  
1 1 1 13 21 14  o 10.350  0.6581 -1.145000      1.316000  
1 1 1 13 21 15  o 16.290  0.4915 -0.3262000E-01 0.9831000 
1 1 1 13 21 16  o 6.9890  0.8880 7.352000       1.776000  
1 1 1 13 21 17  o 13.140  0.5526 1.057000       1.105000  
1 1 1 13 21 18  o 9.2030  0.7298 1.086000       1.460000  
1 1 1 13 21 19  o 11.420  0.6183 0.6738000E-01  1.237000  
1 1 1 13 21 20  o 8.2550  0.8239 0.6937000      1.648000  
1 1 1 13 21 21  o 12.240  0.5847 -1.090000      1.169000  
1 1 1 13 21 22  o 10.380  0.6842 0.7139000      1.368000  
1 1 1 13 21 23  o 9.4570  0.7620 1.528000       1.524000  
1 1 1 13 21 24  o 16.540  0.5557 -0.3106000     1.111000  
1 1 1 13 21 25  f 8.1720  1.1230 2.520000       2.246000  
1 1 1 13 21 26  o 13.340  0.6333 1.305000       1.267000  
1 1 1 13 21 27  o 5.1410  1.2730 0.8503000E-01  2.546000  
1 1 1 13 21 28  o 5.8850  1.2240 -0.5150000     2.448000  
1 1 1 13 21 29  o 6.6340  1.1670 -0.4590000     2.334000  
1 1 1 13 21 30  o 15.620  0.5957 0.6790000      1.191000  
1 1 1 13 21 31  o 8.2000  1.1640 2.351000       2.328000  
1 1 1 13 21 32  f 18.710  0.5736 -0.1214000     1.147000  
1 1 1 13 21 33  o 10.360  0.9934 -3.762000      1.987000  
1 1 1 13 21 34  o 11.010  0.8212 0.5379000      1.642000  
1 1 1 13 21 35  f 4.9880  1.3010 -2.069000      2.602000  
1 1 1 13 21 36  o 4.5450  1.2670 -1.490000      2.533000  
1 1 1 13 21 37  o 6.8060  1.2970 -0.3324000     2.595000  
1 1 1 13 21 38  o 8.2250  1.1920 -1.492000      2.385000  
1 1 1 13 21 39  o 11.630  0.8785 -0.7966000E-01 1.757000  
1 1 1 13 21 40  o 4.3920  1.2790 -0.7330000     2.559000  
1 1 1 13 21 41  o 12.440  0.8503 -0.5780000     1.701000  
1 1 1 13 21 42  o 7.2110  1.2930 2.501000       2.587000  
1 1 1 13 21 43  o 15.580  0.7279 -0.8414000E-01 1.456000  
1 1 1 13 21 44  o 3.7730  1.1970 0.4893000E-02  2.393000  
1 1 1 13 21 45  o 3.5330  1.1440 -0.3033000     2.288000  
1 1 1 13 21 46  o 4.4810  1.2790 1.705000       2.558000  
1 1 1 13 21 47  o 6.4780  1.3670 0.3309000      2.735000  
1 1 1 13 21 48  o 5.1510  1.3640 -1.119000      2.729000  
1 1 1 13 21 49  o 6.2700  1.3160 -3.499000      2.632000  
1 1 1 13 21 50  o 4.4960  1.3280 0.1012000      2.657000  
1 1 1 13 21 51  o 11.260  0.9869 0.7477000      1.974000  
1 1 1 13 21 52  o 3.9480  1.2410 0.1083000E-01  2.481000  
1 1 1 13 21 53  o 4.7580  1.3280 -1.321000      2.655000  
1 1 1 13 21 54  o 6.5210  1.4180 -0.8108000     2.836000  
1 1 1 13 21 55  o 4.3170  1.3030 1.326000       2.607000  
1 1 1 13 21 56  o 4.9940  1.3780 0.9107000      2.756000  
1 1 1 13 21 57  o 4.3230  1.2820 0.4839000      2.565000  
1 1 1 13 21 58  o 3.9210  1.2240 0.6610000      2.449000  
1 1 1 13 21 59  o 5.1240  1.4290 -0.3673000E-01 2.857000  
1 1 1 13 21 60  o 3.7800  1.9040 ?              ?         
1 1 1 13 22 0   o 17.020  0.6747 0.000000       0.000000  
1 1 1 13 22 1   o 17.090  0.4724 0.5967000      0.9449000 
1 1 1 13 22 2   o 10.610  0.6330 -1.006000      1.266000  
1 1 1 13 22 3   o 11.170  0.5981 0.5415000      1.196000  
1 1 1 13 22 4   o 11.480  0.5982 -0.2525000     1.196000  
1 1 1 13 22 5   o 11.350  0.5858 -0.8246000E-01 1.172000  
1 1 1 13 22 6   o 14.970  0.4995 -0.1012000     0.9989000 
1 1 1 13 22 7   o 12.400  0.5636 -0.1623000     1.127000  
1 1 1 13 22 8   o 9.2050  0.8055 2.335000       1.611000  
1 1 1 13 22 9   o 6.9740  0.9694 -1.493000      1.939000  
1 1 1 13 22 10  o 11.750  0.5816 0.8388000E-01  1.163000  
1 1 1 13 22 11  o 9.8490  0.6728 -0.5520000     1.346000  
1 1 1 13 22 12  f 9.6330  0.7036 -0.7619000     1.407000  
1 1 1 13 22 13  o 9.0860  0.7278 -1.116000      1.456000  
1 1 1 13 22 14  o 10.850  0.6380 -1.469000      1.276000  
1 1 1 13 22 15  o 10.660  0.6508 -0.2235000E-01 1.302000  
1 1 1 13 22 16  o 5.6910  1.1030 0.5260000      2.206000  
1 1 1 13 22 17  o 15.550  0.5175 -0.5387000E-01 1.035000  
1 1 1 13 22 18  o 15.880  0.5004 -0.5284000     1.001000  
1 1 1 13 22 19  o 9.6610  0.7181 2.411000       1.436000  
1 1 1 13 22 20  o 7.6660  0.8994 0.8611000E-01  1.799000  
1 1 1 13 22 21  o 8.4510  0.8180 -0.9441000E-01 1.636000  
1 1 1 13 22 22  o 5.4940  1.1050 0.3091000      2.210000  
1 1 1 13 22 23  o 5.7340  1.1250 0.6592000      2.251000  
1 1 1 13 22 24  o 9.6500  0.7543 0.9471000      1.509000  
1 1 1 13 22 25  o 5.2840  1.1440 0.4334000      2.289000  
1 1 1 13 22 26  o 6.5550  1.1570 -0.7215000     2.315000  
1 1 1 13 22 27  o 8.1980  1.0230 2.162000       2.046000  
1 1 1 13 22 28  o 6.7420  1.1670 -0.8140000E-01 2.335000  
1 1 1 13 22 29  o 13.600  0.6647 0.7577000      1.329000  
1 1 1 13 22 30  o 13.820  0.6455 -1.885000      1.291000  
1 1 1 13 22 31  o 8.8420  0.9995 3.199000       1.999000  
1 1 1 13 22 32  o 7.6540  1.0680 0.3146000      2.137000  
1 1 1 13 22 33  o 4.3890  1.1650 1.353000       2.330000  
1 1 1 13 22 34  o 4.2680  1.2060 -0.5281000     2.412000  
1 1 1 13 22 35  o 6.4620  1.2080 -1.259000      2.416000  
1 1 1 13 22 36  f 9.7930  0.9899 -0.6608000     1.980000  
1 1 1 13 22 37  o 4.9500  1.3150 0.8990000      2.630000  
1 1 1 13 22 38  o 5.6910  1.3220 -0.6643000     2.644000  
1 1 1 13 22 39  o 4.4880  1.2800 0.2443000      2.560000  
1 1 1 13 22 40  o 5.5310  1.3270 -1.109000      2.655000  
1 1 1 13 22 41  o 7.6170  1.2220 3.004000       2.443000  
1 1 1 13 22 42  o 4.1570  1.2550 -0.9354000E-01 2.510000  
1 1 1 13 22 43  o 4.5820  1.3100 0.3437000      2.620000  
1 1 1 13 22 44  o 4.1780  1.2600 -0.2110000E-02 2.521000  
1 1 1 13 22 45  f 4.8460  1.3510 -0.1787000     2.702000  
1 1 1 13 22 46  o 10.110  1.0650 0.1599000      2.130000  
1 1 1 13 22 47  o 3.9950  1.2420 -1.010000      2.485000  
1 1 1 13 22 48  o 6.4850  1.4030 -1.073000      2.806000  
1 1 1 13 22 49  o 3.9540  1.2400 0.7122000      2.481000  
1 1 1 13 22 50  o 3.8220  1.2250 -0.2895000     2.450000  
1 1 1 13 22 51  o 6.2890  1.4880 0.5596000      2.975000  
1 1 1 13 22 52  o 3.2640  1.1000 0.1513000      2.200000  
1 1 1 13 22 53  o 7.9050  1.3160 -0.2535000     2.631000  
1 1 1 13 22 54  o 9.2410  1.1240 0.4051000E-02  2.249000  
1 1 1 13 22 55  o 4.1510  1.2580 -0.8230000     2.517000  
1 1 1 13 22 56  o 3.7620  1.8100 ?              ?         
1 1 1 13 23 0   o 12.490  0.7859 -0.000000      0.000000  
1 1 1 13 23 1   o 11.400  0.8673 -0.1096000     1.735000  
1 1 1 13 23 2   o 31.070  0.5154 0.4250000      1.031000  
1 1 1 13 23 3   o 12.850  0.8987 0.5714000E-01  1.797000  
1 1 1 13 23 4   o 9.8860  0.7414 0.4364000      1.483000  
1 1 1 13 23 5   o 12.070  0.5832 0.7426000      1.166000  
1 1 1 13 23 6   o 7.9720  1.0030 -3.617000      2.007000  
1 1 1 13 23 7   f 19.040  0.4643 -0.6668000     0.9287000 
1 1 1 13 23 8   o 9.7360  1.0560 4.746000       2.113000  
1 1 1 13 23 9   o 16.080  0.4876 -0.3557000     0.9752000 
1 1 1 13 23 10  o 11.940  0.5796 -0.9860000E-01 1.159000  
1 1 1 13 23 11  o 10.110  0.6719 -1.192000      1.344000  
1 1 1 13 23 12  o 12.130  0.5691 0.2881000      1.138000  
1 1 1 13 23 13  o 6.8300  0.9478 2.191000       1.896000  
1 1 1 13 23 14  o 10.750  0.6201 -0.9743000     1.240000  
1 1 1 13 23 15  o 7.4420  0.8849 0.3284000      1.770000  
1 1 1 13 23 16  o 7.8250  0.8653 2.160000       1.731000  
1 1 1 13 23 17  f 6.3860  1.0150 0.5940000E-01  2.031000  
1 1 1 13 23 18  o 4.1550  1.1050 0.5205000      2.209000  
1 1 1 13 23 19  f 7.1260  0.9379 -0.4466000     1.876000  
1 1 1 13 23 20  o 5.5540  1.1100 0.7083000      2.220000  
1 1 1 13 23 21  o 7.8340  0.9581 -0.2241000     1.916000  
1 1 1 13 23 22  o 16.770  0.5046 -1.609000      1.009000  
1 1 1 13 23 23  o 6.0200  1.2070 0.7865000      2.413000  
1 1 1 13 23 24  o 8.3140  0.8530 -0.8407000     1.706000  
1 1 1 13 23 25  o 7.2150  0.9813 -3.460000      1.963000  
1 1 1 13 23 26  o 8.6480  0.8599 -2.242000      1.720000  
1 1 1 13 23 27  o 10.150  0.8019 0.1160000      1.604000  
1 1 1 13 23 28  o 11.520  0.7279 -0.4382000     1.456000  
1 1 1 13 23 29  o 6.1980  1.2020 0.8781000      2.403000  
1 1 1 13 23 30  o 3.9760  1.1710 -0.5825000     2.341000  
1 1 1 13 23 31  o 7.1210  1.1160 2.222000       2.232000  
1 1 1 13 23 32  o 9.6260  0.8519 -2.046000      1.704000  
1 1 1 13 23 33  o 5.6420  1.1960 -2.504000      2.393000  
1 1 1 13 23 34  o 12.320  0.6977 -1.081000      1.395000  
1 1 1 13 23 35  o 4.3120  1.2180 -0.2952000     2.436000  
1 1 1 13 23 36  o 12.960  0.7228 1.011000       1.446000  
1 1 1 13 23 37  o 9.3920  1.1130 -1.583000      2.226000  
1 1 1 13 23 38  o 7.5950  1.3040 -0.5791000     2.607000  
1 1 1 13 23 39  o 5.0780  1.3510 0.5120000      2.703000  
1 1 1 13 23 40  o 4.1300  1.2560 -0.1039000     2.511000  
1 1 1 13 23 41  o 7.1190  1.3140 -2.110000      2.628000  
1 1 1 13 23 42  o 4.8540  1.3450 -0.4361000     2.690000  
1 1 1 13 23 43  o 5.9950  1.4070 0.4165000      2.813000  
1 1 1 13 23 44  o 7.4310  1.3600 -0.9414000E-01 2.720000  
1 1 1 13 23 45  o 3.8840  1.2240 -1.479000      2.447000  
1 1 1 13 23 46  o 3.2700  1.0990 0.5753000      2.197000  
1 1 1 13 23 47  o 4.9110  1.3600 1.350000       2.721000  
1 1 1 13 23 48  o 3.4850  1.1490 0.3690000      2.299000  
1 1 1 13 23 49  o 3.7260  1.1930 0.8561000E-01  2.386000  
1 1 1 13 23 50  o 4.4360  1.3010 0.4584000      2.602000  
1 1 1 13 23 51  o 4.9950  1.3550 1.328000       2.710000  
1 1 1 13 23 52  o 4.9470  1.9460 ?              ?         
1 1 1 13 23 53  o 3.6040  1.8110 ?              ?         
1 1 1 13 24 0   o 23.280  0.6731 -0.000000      0.000000  
1 1 1 13 24 1   o 19.320  0.4773 1.513000       0.9545000 
1 1 1 13 24 2   o 15.510  0.5009 -0.4231000     1.002000  
1 1 1 13 24 3   o 13.370  0.5633 -0.5085000     1.127000  
1 1 1 13 24 4   o 13.470  0.5564 1.287000       1.113000  
1 1 1 13 24 5   o 9.6370  0.6915 -0.4636000     1.383000  
1 1 1 13 24 6   o 12.260  0.5739 -1.282000      1.148000  
1 1 1 13 24 7   o 8.5500  0.8142 1.333000       1.628000  
1 1 1 13 24 8   o 12.100  0.5790 -0.8907000     1.158000  
1 1 1 13 24 9   o 7.0920  0.9381 -2.540000      1.876000  
1 1 1 13 24 10  o 6.1800  1.0480 -0.8253000     2.095000  
1 1 1 13 24 11  o 10.930  0.6330 1.281000       1.266000  
1 1 1 13 24 12  o 12.760  0.5594 -0.2732000     1.119000  
1 1 1 13 24 13  o 17.570  0.4815 -0.1810000     0.9631000 
1 1 1 13 24 14  o 12.160  0.6076 1.736000       1.215000  
1 1 1 13 24 15  o 5.2180  1.1190 -0.3061000     2.238000  
1 1 1 13 24 16  o 6.7620  0.9811 0.2645000      1.962000  
1 1 1 13 24 17  o 6.2960  1.0620 -1.089000      2.124000  
1 1 1 13 24 18  f 7.5520  0.9366 -0.1441000     1.873000  
1 1 1 13 24 19  f 8.1050  0.8727 0.5135000E-01  1.745000  
1 1 1 13 24 20  o 8.6500  0.8202 0.5966000      1.640000  
1 1 1 13 24 21  o 13.060  0.5786 0.1553000      1.157000  
1 1 1 13 24 22  o 13.230  0.5840 -0.2800000     1.168000  
1 1 1 13 24 23  o 8.8250  0.8204 -2.620000      1.641000  
1 1 1 13 24 24  o 5.0740  1.1460 -0.3796000     2.291000  
1 1 1 13 24 25  o 3.7620  1.0970 -0.8051000     2.194000  
1 1 1 13 24 26  o 4.4720  1.0720 2.864000       2.144000  
1 1 1 13 24 27  o 5.1740  1.1620 1.039000       2.325000  
1 1 1 13 24 28  o 3.8370  1.1310 0.7820000      2.263000  
1 1 1 13 24 29  o 5.6750  1.2270 1.212000       2.454000  
1 1 1 13 24 30  o 8.6630  0.9881 0.1313000      1.976000  
1 1 1 13 24 31  o 9.5940  0.9291 0.1507000      1.858000  
1 1 1 13 24 32  f 5.9410  1.2510 0.6443000      2.502000  
1 1 1 13 24 33  o 4.4880  1.2360 -1.535000      2.472000  
1 1 1 13 24 34  o 6.6160  1.1860 -2.967000      2.372000  
1 1 1 13 24 35  o 11.040  0.8251 1.235000       1.650000  
1 1 1 13 24 36  o 5.6330  1.2880 0.2050000      2.577000  
1 1 1 13 24 37  o 4.4860  1.2390 -0.5794000     2.478000  
1 1 1 13 24 38  o 3.8980  1.2160 -0.8169000     2.433000  
1 1 1 13 24 39  o 4.4230  1.2990 0.6753000      2.598000  
1 1 1 13 24 40  o 5.7750  1.3950 -0.7087000     2.789000  
1 1 1 13 24 41  o 5.3960  1.4000 -0.1481000     2.800000  
1 1 1 13 24 42  o 5.4250  1.4000 1.102000       2.800000  
1 1 1 13 24 43  o 3.2760  1.1000 -0.1586000     2.199000  
1 1 1 13 24 44  o 4.3590  1.2980 -0.2272000     2.596000  
1 1 1 13 24 45  o 7.2760  1.2020 5.242000       2.404000  
1 1 1 13 24 46  o 4.2750  1.2790 -0.5713000E-01 2.558000  
1 1 1 13 24 47  o 5.0460  1.4890 0.9719000      2.978000  
1 1 1 13 24 48  o 5.4390  2.2990 ?              ?         
1 1 1 13 25 0   o 4.8750  1.9470 -0.000000      0.000000  
1 1 1 13 25 1   o 8.6600  0.7886 -1.774000      1.577000  
1 1 1 13 25 2   o 7.5010  0.8956 1.842000       1.791000  
1 1 1 13 25 3   o 8.7750  0.7805 -1.189000      1.561000  
1 1 1 13 25 4   o 6.4140  1.0620 -0.7311000     2.125000  
1 1 1 13 25 5   o 7.6740  0.9066 -1.243000      1.813000  
1 1 1 13 25 6   o 12.890  0.5715 -1.165000      1.143000  
1 1 1 13 25 7   o 9.1970  0.7448 0.7864000      1.490000  
1 1 1 13 25 8   f 9.7360  0.7516 -2.879000      1.503000  
1 1 1 13 25 9   o 14.660  0.5401 -0.7032000     1.080000  
1 1 1 13 25 10  f 9.2120  0.7673 -1.283000      1.535000  
1 1 1 13 25 11  o 5.6850  1.1100 -1.040000      2.220000  
1 1 1 13 25 12  o 3.5820  1.0630 0.8518000      2.126000  
1 1 1 13 25 13  o 5.8080  1.1290 1.028000       2.258000  
1 1 1 13 25 14  o 16.290  0.5111 -0.5356000     1.022000  
1 1 1 13 25 15  o 12.340  0.5827 -0.9800000     1.165000  
1 1 1 13 25 16  o 5.5540  1.1390 0.8052000      2.279000  
1 1 1 13 25 17  o 4.0780  1.1210 0.9511000      2.242000  
1 1 1 13 25 18  o 4.4110  1.1430 1.100000       2.286000  
1 1 1 13 25 19  o 5.4430  1.1240 -0.1114000E-01 2.248000  
1 1 1 13 25 20  o 3.5410  1.0700 -0.1140000     2.139000  
1 1 1 13 25 21  o 4.0010  1.0950 1.732000       2.190000  
1 1 1 13 25 22  f 8.9430  0.8559 -2.941000      1.712000  
1 1 1 13 25 23  o 6.9010  1.0160 0.1929000      2.032000  
1 1 1 13 25 24  f 8.2610  0.8547 -0.4974000     1.709000  
1 1 1 13 25 25  o 5.6360  1.1540 -0.1424000     2.308000  
1 1 1 13 25 26  o 5.3270  1.1770 0.4473000      2.353000  
1 1 1 13 25 27  o 5.5120  1.1670 -0.6621000     2.333000  
1 1 1 13 25 28  o 11.220  0.6907 0.7840000      1.381000  
1 1 1 13 25 29  o 4.7680  1.2310 -1.952000      2.463000  
1 1 1 13 25 30  o 7.1560  1.1440 -0.4583000     2.288000  
1 1 1 13 25 31  o 4.3320  1.2180 -0.3103000E-01 2.435000  
1 1 1 13 25 32  o 2.8420  0.9578 0.2383000      1.916000  
1 1 1 13 25 33  o 4.5110  1.2370 -0.4100000     2.474000  
1 1 1 13 25 34  o 5.0320  1.2830 -0.1821000     2.565000  
1 1 1 13 25 35  f 4.5200  1.2490 -0.7482000     2.497000  
1 1 1 13 25 36  o 4.4160  1.2050 0.9619000      2.410000  
1 1 1 13 25 37  o 7.1720  1.1790 3.144000       2.358000  
1 1 1 13 25 38  o 3.7760  1.1650 -0.3347000     2.331000  
1 1 1 13 25 39  o 3.4170  1.1270 -0.3267000     2.253000  
1 1 1 13 25 40  o 4.4380  1.3030 -0.7545000     2.606000  
1 1 1 13 25 41  o 6.5120  1.3710 1.965000       2.741000  
1 1 1 13 25 42  o 6.3500  1.8950 ?              ?         
1 1 1 13 25 43  o 4.1160  2.0160 ?              ?         
1 1 1 13 26 0   o 3.8260  1.9580 0.000000       0.000000  
1 1 1 13 26 1   o 8.3490  0.8867 -0.3151000     1.773000  
1 1 1 13 26 2   o 11.450  0.6422 -1.317000      1.284000  
1 1 1 13 26 3   o 13.250  0.5753 -0.4572000E-01 1.151000  
1 1 1 13 26 4   o 8.5840  0.8413 -0.3634000     1.683000  
1 1 1 13 26 5   f 9.2640  1.0920 -8.979000      2.185000  
1 1 1 13 26 6   o 18.150  0.5014 0.3034000      1.003000  
1 1 1 13 26 7   o 8.7050  0.8155 1.494000       1.631000  
1 1 1 13 26 8   o 8.8690  0.8055 0.5006000      1.611000  
1 1 1 13 26 9   f 7.5370  0.9545 -0.6270000     1.909000  
1 1 1 13 26 10  o 6.7210  1.0530 -0.6544000     2.106000  
1 1 1 13 26 11  o 5.4330  1.1180 -1.901000      2.236000  
1 1 1 13 26 12  o 9.1450  0.7986 -2.123000      1.597000  
1 1 1 13 26 13  o 7.8990  0.8646 0.2664000      1.729000  
1 1 1 13 26 14  o 8.1330  0.8750 1.097000       1.750000  
1 1 1 13 26 15  o 4.9590  1.1020 2.507000       2.204000  
1 1 1 13 26 16  o 4.6350  1.1520 -0.5182000E-01 2.304000  
1 1 1 13 26 17  o 8.8400  0.8125 -1.052000      1.625000  
1 1 1 13 26 18  o 12.920  0.5877 0.1679000E-01  1.175000  
1 1 1 13 26 19  o 5.5460  1.1340 -1.076000      2.268000  
1 1 1 13 26 20  o 5.8980  1.1190 -1.735000      2.238000  
1 1 1 13 26 21  o 8.9240  0.8188 -1.233000      1.638000  
1 1 1 13 26 22  o 7.6480  0.9332 1.173000       1.866000  
1 1 1 13 26 23  o 4.6330  1.1630 -0.1994000     2.326000  
1 1 1 13 26 24  f 3.6430  1.0820 -0.6492000E-01 2.164000  
1 1 1 13 26 25  o 4.2280  1.0050 -3.534000      2.010000  
1 1 1 13 26 26  f 9.7240  0.7842 0.6897000      1.568000  
1 1 1 13 26 27  o 8.2920  0.9522 2.498000       1.904000  
1 1 1 13 26 28  o 3.3490  1.0510 0.4062000      2.101000  
1 1 1 13 26 29  o 4.2420  1.1500 -0.7885000     2.299000  
1 1 1 13 26 30  o 5.7900  1.1380 2.523000       2.276000  
1 1 1 13 26 31  o 4.5630  1.2260 0.3996000      2.451000  
1 1 1 13 26 32  o 5.3610  1.2170 1.525000       2.435000  
1 1 1 13 26 33  o 3.9840  1.1350 1.113000       2.270000  
1 1 1 13 26 34  o 5.0240  1.2480 -2.297000      2.497000  
1 1 1 13 26 35  o 6.8620  1.4080 0.8566000      2.816000  
1 1 1 13 26 36  o 5.0870  2.3460 ?              ?         
1 1 1 13 27 0   o 2.1070  1.4380 0.000000       0.000000  
1 1 1 13 27 1   o 4.9970  1.1880 -0.1731000E-03 2.375000  
1 1 1 13 27 2   o 9.9790  0.7284 0.4213000      1.457000  
1 1 1 13 27 3   f 6.9820  1.0070 3.991000       2.014000  
1 1 1 13 27 4   o 7.5190  0.9499 -0.7749000     1.900000  
1 1 1 13 27 5   o 8.5000  0.8737 1.842000       1.747000  
1 1 1 13 27 6   o 4.0350  1.0750 2.118000       2.150000  
1 1 1 13 27 7   o 6.7290  1.0720 0.6394000      2.143000  
1 1 1 13 27 8   o 12.200  0.6342 -0.4487000     1.268000  
1 1 1 13 27 9   o 9.1270  0.8019 0.9971000      1.604000  
1 1 1 13 27 10  f 6.2840  1.0950 0.9606000E-01  2.190000  
1 1 1 13 27 11  o 3.7940  1.0950 0.5670000      2.189000  
1 1 1 13 27 12  o 6.2170  1.1120 1.639000       2.225000  
1 1 1 13 27 13  o 4.6090  1.1680 0.3438000      2.335000  
1 1 1 13 27 14  o 3.3380  1.0320 -0.5942000     2.063000  
1 1 1 13 27 15  o 4.8670  1.1620 0.3251000      2.324000  
1 1 1 13 27 16  o 4.4110  1.1140 -1.486000      2.227000  
1 1 1 13 27 17  o 3.2800  1.0090 -1.383000      2.019000  
1 1 1 13 27 18  o 6.8070  1.0630 0.5163000E-01  2.126000  
1 1 1 13 27 19  o 4.8270  1.1690 0.6550000      2.338000  
1 1 1 13 27 20  o 4.0290  1.1210 -1.175000      2.241000  
1 1 1 13 27 21  o 3.0960  0.9793 -1.432000      1.959000  
1 1 1 13 27 22  o 5.8970  1.0820 -2.858000      2.165000  
1 1 1 13 27 23  o 6.6790  1.0570 0.6984000      2.113000  
1 1 1 13 27 24  o 4.5070  1.1160 1.594000       2.233000  
1 1 1 13 27 25  o 5.2370  1.1860 0.9770000      2.372000  
1 1 1 13 27 26  o 4.5640  1.2060 0.4952000      2.412000  
1 1 1 13 27 27  o 4.5040  1.4120 -3.381000      2.824000  
1 1 1 13 27 28  o 3.7440  1.8760 ?              ?         
1 1 1 13 27 29  o 3.9080  1.9390 ?              ?         
1 1 1 13 28 0   o 3.3640  1.8990 0.000000       0.000000  
1 1 1 13 28 1   o 3.9380  1.1300 1.065000       2.260000  
1 1 1 13 28 2   o 7.5160  0.9815 0.3137000      1.963000  
1 1 1 13 28 3   o 5.0460  1.1530 1.734000       2.307000  
1 1 1 13 28 4   o 3.4320  1.0530 0.5823000      2.106000  
1 1 1 13 28 5   o 4.3850  1.1630 0.2255000      2.327000  
1 1 1 13 28 6   o 3.6640  1.0880 -0.4431000     2.175000  
1 1 1 13 28 7   o 4.3190  1.1710 -0.5769000E-01 2.343000  
1 1 1 13 28 8   o 3.6590  1.1000 -0.7386000     2.200000  
1 1 1 13 28 9   o 5.1100  1.2070 0.3882000      2.414000  
1 1 1 13 28 10  o 4.3050  1.1030 -2.046000      2.207000  
1 1 1 13 28 11  f 4.5680  1.1430 -1.763000      2.287000  
1 1 1 13 28 12  o 3.7390  1.1010 0.3695000      2.203000  
1 1 1 13 28 13  o 3.7400  1.1170 0.5780000E-01  2.233000  
1 1 1 13 28 14  o 3.9440  1.5810 ?              ?         
1 1 1 13 28 15  o 3.7920  1.7670 ?              ?         
1 1 1 13 28 16  o 4.4090  2.1390 ?              ?         
1 1 1 13 28 17  o 3.7980  1.8960 ?              ?         
1 1 1 13 28 18  o 3.6110  1.8080 ?              ?         
1 1 1 13 28 19  o 3.8900  1.9230 ?              ?         
1 1 1 14 0  0   o 47.420  1.8780 0.000000       0.000000  
1 1 1 14 0  2   o 3.8090  1.4570 0.000000       0.000000  
1 1 1 14 0  3   o 15.690  0.7301 0.000000       0.000000  
1 1 1 14 0  4   o 61.560  2.4330 -0.000000      0.000000  
1 1 1 14 0  5   o 43.100  1.7030 0.000000       0.000000  
1 1 1 14 0  6   o 43.510  1.7190 -0.000000      0.000000  
1 1 1 14 0  7   o 31.290  1.2470 -0.000000      0.000000  
1 1 1 14 0  8   o 36.530  1.4480 0.000000       0.000000  
1 1 1 14 0  9   o 66.050  2.6190 0.000000       0.000000  
1 1 1 14 0  10  f 37.610  1.4960 0.000000       0.000000  
1 1 1 14 0  11  o 5.9040  1.1300 0.000000       0.000000  
1 1 1 14 0  12  o 42.680  1.6990 0.000000       0.000000  
1 1 1 14 0  13  o 18.140  0.8341 0.000000       0.000000  
1 1 1 14 0  14  o 35.620  1.4400 -0.000000      0.000000  
1 1 1 14 0  15  o 78.820  3.1670 0.000000       0.000000  
1 1 1 14 0  21  o 44.560  1.2490 0.000000       0.000000  
1 1 1 14 0  22  f 39.210  1.5580 0.000000       0.000000  
1 1 1 14 0  23  o 29.830  1.1970 0.000000       0.000000  
1 1 1 14 0  24  o 14.900  0.7294 0.000000       0.000000  
1 1 1 14 0  25  o 12.180  0.7336 0.000000       0.000000  
1 1 1 14 0  26  o 32.060  1.2910 0.000000       0.000000  
1 1 1 14 0  27  o 18.450  0.8543 0.000000       0.000000  
1 1 1 14 0  28  o 10.730  0.8911 0.000000       0.000000  
1 1 1 14 0  29  o 9.8740  0.9798 0.000000       0.000000  
1 1 1 14 0  30  o 26.890  1.1360 0.000000       0.000000  
1 1 1 14 0  31  o 59.490  2.3640 0.000000       0.000000  
1 1 1 14 0  32  o 15.270  0.9773 0.000000       0.000000  
1 1 1 14 0  33  o 21.240  1.0360 0.000000       0.000000  
1 1 1 14 0  34  o 31.060  1.3200 0.000000       0.000000  
1 1 1 14 0  35  o 40.700  1.6660 0.000000       0.000000  
1 1 1 14 0  36  o 46.870  1.8970 0.000000       0.000000  
1 1 1 14 0  37  o 8.6240  1.9680 0.000000       0.000000  
1 1 1 14 0  38  o 14.370  1.2270 0.000000       0.000000  
1 1 1 14 0  40  o 15.810  1.2820 0.000000       0.000000  
1 1 1 14 0  41  o 17.450  1.3710 0.000000       0.000000  
1 1 1 14 0  42  o 4.6060  2.6760 0.000000       0.000000  
1 1 1 14 0  43  o 21.400  1.3920 0.000000       0.000000  
1 1 1 14 0  44  o 21.920  1.3830 0.000000       0.000000  
1 1 1 14 0  45  o 9.6700  2.8130 0.000000       0.000000  
1 1 1 14 0  46  o 4.0840  2.5900 0.000000       0.000000  
1 1 1 14 0  47  o 4.1370  2.6250 0.000000       0.000000  
1 1 1 14 0  48  o 4.7230  2.8800 0.000000       0.000000  
1 1 1 14 0  49  o 17.420  1.8110 0.000000       0.000000  
1 1 1 14 0  50  f 6.1600  3.3060 0.000000       0.000000  
1 1 1 14 0  51  o 12.570  2.7540 0.000000       0.000000  
1 1 1 14 0  52  o 13.100  2.6820 0.000000       0.000000  
1 1 1 14 0  53  o 17.700  2.0410 0.000000       0.000000  
1 1 1 14 0  54  o 5.6260  3.3320 0.000000       0.000000  
1 1 1 14 0  55  o 7.1580  3.5660 0.000000       0.000000  
1 1 1 14 0  56  o 5.4780  3.3310 0.000000       0.000000  
1 1 1 14 0  57  o 19.560  2.1310 0.000000       0.000000  
1 1 1 14 0  58  o 6.9620  3.7530 0.000000       0.000000  
1 1 1 14 0  59  o 24.170  1.8370 0.000000       0.000000  
1 1 1 14 0  60  o 6.9420  3.8000 0.000000       0.000000  
1 1 1 14 0  61  o 4.0310  2.7590 0.000000       0.000000  
1 1 1 14 0  62  o 13.670  3.4110 0.000000       0.000000  
1 1 1 14 0  63  o 8.4610  4.2450 0.000000       0.000000  
1 1 1 14 0  64  o 6.3570  3.8100 0.000000       0.000000  
1 1 1 14 0  65  f 21.370  2.4620 0.000000       0.000000  
1 1 1 14 0  66  o 10.0000 4.2240 0.000000       0.000000  
1 1 1 14 0  67  o 4.8580  3.2260 0.000000       0.000000  
1 1 1 14 0  68  f 5.4080  3.5130 0.000000       0.000000  
1 1 1 14 0  69  o 4.3430  2.9990 0.000000       0.000000  
1 1 1 14 0  70  o 4.5260  3.1210 -0.000000      0.000000  
1 1 1 14 0  71  o 22.330  2.7160 0.000000       0.000000  
1 1 1 14 0  72  f 7.4250  4.3150 0.000000       0.000000  
1 1 1 14 0  73  o 8.8510  4.6300 0.000000       0.000000  
1 1 1 14 0  74  o 5.1640  3.4770 -0.000000      0.000000  
1 1 1 14 0  75  o 4.6330  3.1520 0.000000       0.000000  
1 1 1 14 0  76  o 5.1300  3.3870 0.000000       0.000000  
1 1 1 14 0  77  o 4.5020  3.1180 0.000000       0.000000  
1 1 1 14 0  78  o 4.3010  3.0340 -0.000000      0.000000  
1 1 1 14 0  79  o 7.0980  4.1630 0.000000       0.000000  
1 1 1 14 0  80  f 4.6770  3.1810 -0.000000      0.000000  
1 1 1 14 0  81  o 3.6910  2.6060 0.000000       0.000000  
1 1 1 14 0  82  o 4.6190  3.0840 0.000000       0.000000  
1 1 1 14 0  83  o 2.7780  2.0370 0.000000       0.000000  
1 1 1 14 0  84  f 3.3940  2.3560 0.000000       0.000000  
1 1 1 14 0  85  o 3.0370  2.1010 0.000000       0.000000  
1 1 1 14 1  0   o 28.520  1.1590 0.000000       0.000000  
1 1 1 14 1  1   o 15.610  0.4659 -2.329000      0.9318000 
1 1 1 14 1  2   o 27.040  0.6677 1.261000       1.335000  
1 1 1 14 1  3   o 52.090  1.2460 3.236000       2.493000  
1 1 1 14 1  4   o 52.150  1.2580 0.3646000      2.516000  
1 1 1 14 1  5   o 30.150  0.8531 -4.953000      1.706000  
1 1 1 14 1  6   o 35.450  0.9941 -0.1114000     1.988000  
1 1 1 14 1  7   o 24.390  0.6975 -0.2698000     1.395000  
1 1 1 14 1  8   o 31.550  0.8888 0.1103000      1.778000  
1 1 1 14 1  9   o 26.740  0.7649 -2.883000      1.530000  
1 1 1 14 1  10  o 76.150  2.1980 7.302000       4.396000  
1 1 1 14 1  11  o 47.110  1.8680 ?              ?         
1 1 1 14 1  12  o 28.480  1.1570 ?              ?         
1 1 1 14 1  13  o 49.400  1.9610 ?              ?         
1 1 1 14 1  14  o 44.500  1.2530 6.141000       2.506000  
1 1 1 14 1  15  o 14.440  0.5378 -0.8055000     1.076000  
1 1 1 14 1  16  o 51.770  1.4570 1.957000       2.914000  
1 1 1 14 1  17  o 13.950  0.6257 5.855000       1.251000  
1 1 1 14 1  18  f 29.000  0.8386 -2.066000      1.677000  
1 1 1 14 1  19  f 18.820  0.6238 0.7176000      1.248000  
1 1 1 14 1  20  o 24.040  0.7256 -2.656000      1.451000  
1 1 1 14 1  21  o 18.580  0.6583 4.292000       1.317000  
1 1 1 14 1  22  f 26.770  1.0790 ?              ?         
1 1 1 14 1  23  o 30.240  1.2110 ?              ?         
1 1 1 14 1  24  o 25.590  0.6451 -1.607000      1.290000  
1 1 1 14 1  25  o 42.880  1.0420 -1.501000      2.083000  
1 1 1 14 1  26  o 30.240  0.7537 -0.2455000     1.507000  
1 1 1 14 1  27  o 15.310  0.5502 5.678000       1.100000  
1 1 1 14 1  28  o 32.000  0.7911 -2.501000      1.582000  
1 1 1 14 1  29  o 25.220  0.6839 3.327000       1.368000  
1 1 1 14 1  30  o 15.480  0.6323 0.3870000      1.265000  
1 1 1 14 1  31  o 31.580  0.9217 -0.4416000     1.843000  
1 1 1 14 1  32  o 32.910  0.9637 0.9870000      1.927000  
1 1 1 14 1  33  o 50.840  1.4430 -2.865000      2.887000  
1 1 1 14 1  34  o 21.060  0.7585 4.476000       1.517000  
1 1 1 14 1  35  o 29.420  1.2650 ?              ?         
1 1 1 14 1  36  f 19.740  0.7807 -0.8469000     1.561000  
1 1 1 14 1  37  o 13.860  0.8777 -1.566000      1.755000  
1 1 1 14 1  38  o 31.990  0.9899 2.232000       1.980000  
1 1 1 14 1  39  o 12.670  1.0430 1.338000       2.086000  
1 1 1 14 1  40  o 29.070  0.9518 -0.6117000     1.904000  
1 1 1 14 1  41  o 24.690  0.9077 2.969000       1.815000  
1 1 1 14 1  42  f 36.940  1.1390 -1.469000      2.278000  
1 1 1 14 1  43  f 7.3540  1.7510 -0.3485000     3.502000  
1 1 1 14 1  44  f 10.040  1.6310 -0.8017000     3.262000  
1 1 1 14 1  45  o 15.170  1.2010 0.4219000      2.401000  
1 1 1 14 1  46  o 5.1160  1.5990 0.5035000      3.199000  
1 1 1 14 1  47  o 7.5900  1.8650 -0.7471000     3.729000  
1 1 1 14 1  48  o 8.9570  1.8980 1.010000       3.795000  
1 1 1 14 1  49  o 6.8440  1.8920 -0.7747000     3.784000  
1 1 1 14 1  50  o 12.890  1.6580 2.014000       3.316000  
1 1 1 14 1  51  o 15.170  1.4550 0.9283000      2.911000  
1 1 1 14 1  52  o 10.950  1.9120 0.5533000E-01  3.824000  
1 1 1 14 1  53  o 31.680  1.1860 -2.333000      2.372000  
1 1 1 14 1  54  o 14.770  1.6230 3.072000       3.245000  
1 1 1 14 1  55  o 21.220  1.3250 -0.1748000     2.650000  
1 1 1 14 1  56  o 15.450  1.6960 -2.755000      3.393000  
1 1 1 14 1  57  o 9.3310  2.1110 -4.049000      4.221000  
1 1 1 14 1  58  o 6.8280  2.0550 -1.507000      4.111000  
1 1 1 14 1  59  o 8.6450  2.1130 3.880000       4.226000  
1 1 1 14 1  60  o 7.5600  2.1370 1.338000       4.274000  
1 1 1 14 1  61  o 6.3250  1.9960 0.3047000      3.992000  
1 1 1 14 1  62  o 16.590  1.9010 0.5922000E-01  3.801000  
1 1 1 14 1  63  o 6.4950  2.0640 0.1109000      4.128000  
1 1 1 14 1  64  o 7.9780  2.3370 -0.5650000     4.674000  
1 1 1 14 1  65  o 8.1160  2.3070 2.382000       4.614000  
1 1 1 14 1  66  o 7.3000  2.2240 0.7148000      4.448000  
1 1 1 14 1  67  f 19.480  1.7760 1.777000       3.551000  
1 1 1 14 1  68  o 7.0330  2.1780 0.7620000      4.355000  
1 1 1 14 1  69  o 10.400  2.5130 1.401000       5.025000  
1 1 1 14 1  70  o 6.4820  2.1190 -1.889000      4.238000  
1 1 1 14 1  71  o 6.5950  2.1720 0.4160000      4.345000  
1 1 1 14 1  72  o 9.5270  2.6560 2.457000       5.313000  
1 1 1 14 1  73  f 8.1890  2.4600 -0.4457000E-01 4.921000  
1 1 1 14 1  74  o 5.4090  1.8600 -0.1892000     3.721000  
1 1 1 14 1  75  o 5.6060  1.9020 0.1571000      3.805000  
1 1 1 14 1  76  o 5.3380  1.8330 -1.023000      3.666000  
1 1 1 14 1  77  o 5.7580  1.9500 1.728000       3.900000  
1 1 1 14 1  78  o 6.5480  2.1600 1.061000       4.320000  
1 1 1 14 1  79  o 4.4760  1.5980 -0.6090000     3.196000  
1 1 1 14 1  80  f 5.3580  1.8410 -1.711000      3.681000  
1 1 1 14 1  81  f 5.2300  1.7780 -1.103000      3.557000  
1 1 1 14 1  82  o 4.5940  1.6080 0.4854000      3.216000  
1 1 1 14 1  83  o 5.3590  1.7900 -0.4529000     3.580000  
1 1 1 14 1  84  o 3.9020  1.3570 -0.1801000     2.714000  
1 1 1 14 1  85  o 3.9640  1.3500 -0.6026000     2.700000  
1 1 1 14 2  0   o 16.550  0.7887 -0.000000      0.000000  
1 1 1 14 2  1   o 45.900  1.2890 2.738000       2.577000  
1 1 1 14 2  2   o 34.900  1.3920 ?              ?         
1 1 1 14 2  3   o 25.410  0.6268 -4.024000      1.254000  
1 1 1 14 2  4   o 30.280  0.7400 1.434000       1.480000  
1 1 1 14 2  5   o 26.590  0.6569 0.9774000      1.314000  
1 1 1 14 2  6   o 37.210  0.8408 2.423000       1.682000  
1 1 1 14 2  7   o 28.070  0.8076 -5.014000      1.615000  
1 1 1 14 2  8   o 47.720  1.8840 ?              ?         
1 1 1 14 2  9   o 32.200  1.2840 ?              ?         
1 1 1 14 2  10  o 35.940  1.4270 ?              ?         
1 1 1 14 2  11  o 25.200  0.7352 -6.531000      1.470000  
1 1 1 14 2  12  o 16.680  0.5560 2.348000       1.112000  
1 1 1 14 2  13  o 13.650  0.5219 -4.127000      1.044000  
1 1 1 14 2  14  o 3.4020  0.8810 -2.544000      1.762000  
1 1 1 14 2  15  o 18.500  0.5938 0.6082000      1.188000  
1 1 1 14 2  16  o 21.570  0.6596 1.017000       1.319000  
1 1 1 14 2  17  o 40.560  1.1420 -1.216000      2.285000  
1 1 1 14 2  18  o 28.220  0.8206 2.133000       1.641000  
1 1 1 14 2  19  o 40.290  1.1370 -2.418000      2.273000  
1 1 1 14 2  20  o 43.230  1.2190 3.306000       2.439000  
1 1 1 14 2  21  o 17.830  0.6870 8.755000       1.374000  
1 1 1 14 2  22  o 28.310  0.8327 -2.528000      1.665000  
1 1 1 14 2  23  o 9.7710  0.9296 5.284000       1.859000  
1 1 1 14 2  24  o 44.540  1.7670 ?              ?         
1 1 1 14 2  25  o 35.390  1.4140 ?              ?         
1 1 1 14 2  26  o 23.490  0.6137 -3.043000      1.227000  
1 1 1 14 2  27  o 22.880  0.6289 2.331000       1.258000  
1 1 1 14 2  28  o 29.670  0.7431 -2.680000      1.486000  
1 1 1 14 2  29  o 50.700  1.2410 -0.1152000     2.481000  
1 1 1 14 2  30  o 45.050  1.0910 -3.592000      2.183000  
1 1 1 14 2  31  o 34.610  1.0310 5.866000       2.062000  
1 1 1 14 2  32  o 15.170  0.6304 -0.3003000     1.261000  
1 1 1 14 2  33  o 31.860  0.8225 0.9663000E-01  1.645000  
1 1 1 14 2  34  o 30.960  0.8066 -1.277000      1.613000  
1 1 1 14 2  35  o 27.080  0.7525 0.9686000      1.505000  
1 1 1 14 2  36  o 36.070  0.9367 2.037000       1.873000  
1 1 1 14 2  37  o 8.9980  1.2860 3.186000       2.572000  
1 1 1 14 2  38  o 10.260  1.1900 0.5413000      2.380000  
1 1 1 14 2  39  o 24.050  0.8704 0.5344000      1.741000  
1 1 1 14 2  40  o 31.940  1.0130 -1.296000      2.027000  
1 1 1 14 2  41  o 24.510  0.9301 1.414000       1.860000  
1 1 1 14 2  42  o 40.240  1.2120 0.4829000      2.424000  
1 1 1 14 2  43  f 9.1800  1.5190 5.316000       3.038000  
1 1 1 14 2  44  o 16.190  1.1130 -0.3818000     2.227000  
1 1 1 14 2  45  o 18.050  1.0870 -1.581000      2.174000  
1 1 1 14 2  46  o 10.030  1.7170 -1.906000      3.435000  
1 1 1 14 2  47  o 13.410  1.4380 1.991000       2.875000  
1 1 1 14 2  48  o 10.990  2.6240 ?              ?         
1 1 1 14 2  49  o 13.780  1.5180 1.659000       3.035000  
1 1 1 14 2  50  o 10.380  1.8470 1.956000       3.694000  
1 1 1 14 2  51  o 16.600  1.2900 -1.091000      2.579000  
1 1 1 14 2  52  o 16.520  1.4280 -3.477000      2.855000  
1 1 1 14 2  53  o 27.710  1.1810 2.302000       2.361000  
1 1 1 14 2  54  o 10.150  2.0580 1.250000       4.116000  
1 1 1 14 2  55  o 13.030  1.9010 0.1316000      3.801000  
1 1 1 14 2  56  o 12.520  1.9490 2.617000       3.897000  
1 1 1 14 2  57  o 18.900  1.4520 1.010000       2.904000  
1 1 1 14 2  58  o 12.880  1.9450 2.494000       3.889000  
1 1 1 14 2  59  o 9.2170  2.1960 -2.074000      4.393000  
1 1 1 14 2  60  o 8.8050  2.2160 -1.450000      4.433000  
1 1 1 14 2  61  o 9.2700  2.3040 -0.1330000     4.608000  
1 1 1 14 2  62  o 9.7730  2.3610 0.5653000      4.722000  
1 1 1 14 2  63  o 8.0160  2.3010 -0.4888000E-01 4.601000  
1 1 1 14 2  64  o 16.070  2.0320 -2.932000      4.063000  
1 1 1 14 2  65  o 9.9810  2.4080 -4.571000      4.815000  
1 1 1 14 2  66  o 7.4460  2.2800 -1.055000      4.561000  
1 1 1 14 2  67  o 9.3790  2.4940 -0.9776000     4.989000  
1 1 1 14 2  68  o 6.5820  2.1100 -0.4741000E-01 4.221000  
1 1 1 14 2  69  o 6.1960  2.0400 -1.942000      4.079000  
1 1 1 14 2  70  o 7.2430  2.2570 1.329000       4.514000  
1 1 1 14 2  71  o 8.3500  2.4760 -0.5199000     4.951000  
1 1 1 14 2  72  o 5.5710  1.9200 -0.1598000     3.841000  
1 1 1 14 2  73  o 5.3830  1.8670 0.8674000      3.734000  
1 1 1 14 2  74  o 5.2670  1.8150 -0.4356000     3.631000  
1 1 1 14 2  75  o 5.7250  1.9180 -0.9905000     3.836000  
1 1 1 14 2  76  o 6.2960  2.0430 -1.476000      4.086000  
1 1 1 14 2  77  o 6.0980  2.0200 -0.2927000     4.041000  
1 1 1 14 2  78  o 4.5150  1.6050 0.7215000      3.210000  
1 1 1 14 2  79  o 5.4240  1.8630 -0.6310000E-02 3.726000  
1 1 1 14 2  80  o 4.9360  1.7190 -0.2669000     3.438000  
1 1 1 14 2  81  f 5.5420  1.8460 -0.8443000     3.692000  
1 1 1 14 2  82  o 5.2790  1.7880 -1.038000      3.575000  
1 1 1 14 2  83  o 5.4520  1.8170 1.065000       3.634000  
1 1 1 14 2  84  o 4.3270  1.4730 0.1413000      2.946000  
1 1 1 14 2  85  o 3.9540  1.9480 ?              ?         
1 1 1 14 3  1   o 50.240  0.9930 1.886000       1.986000  
1 1 1 14 3  2   o 21.860  0.6862 ?              ?         
1 1 1 14 3  3   o 31.680  0.6464 0.9032000      1.293000  
1 1 1 14 3  4   o 13.430  0.8331 ?              ?         
1 1 1 14 3  5   o 37.380  0.6833 1.571000       1.367000  
1 1 1 14 3  6   o 20.000  0.5065 ?              ?         
1 1 1 14 3  7   o 32.050  1.3150 ?              ?         
1 1 1 14 3  8   o 13.430  0.8964 ?              ?         
1 1 1 14 3  9   o 24.420  0.5355 5.107000       1.071000  
1 1 1 14 3  10  o 24.940  0.6544 1.259000       1.309000  
1 1 1 14 3  11  o 44.430  1.0930 2.364000       2.185000  
1 1 1 14 3  12  o 38.820  0.9616 1.239000       1.923000  
1 1 1 14 3  13  o 24.900  0.7321 -0.3946000     1.464000  
1 1 1 14 3  14  o 21.180  0.6480 -2.619000      1.296000  
1 1 1 14 3  15  o 42.940  1.2080 1.529000       2.415000  
1 1 1 14 3  16  o 81.500  2.3280 -0.1894000     4.657000  
1 1 1 14 3  17  o 53.190  1.5000 -0.1304000     3.001000  
1 1 1 14 3  18  o 39.100  1.1050 -1.327000      2.211000  
1 1 1 14 3  19  o 17.240  0.6311 4.430000       1.262000  
1 1 1 14 3  20  o 29.300  0.8555 -2.667000      1.711000  
1 1 1 14 3  21  f 30.650  0.8912 0.4458000      1.782000  
1 1 1 14 3  22  o 14.550  0.7100 4.285000       1.420000  
1 1 1 14 3  23  o 24.890  0.7679 -3.822000      1.536000  
1 1 1 14 3  24  o 44.330  1.2590 -2.793000      2.518000  
1 1 1 14 3  25  o 21.700  0.9415 ?              ?         
1 1 1 14 3  26  f 19.970  0.5684 -0.9448000     1.137000  
1 1 1 14 3  27  o 41.000  1.1740 -3.337000      2.348000  
1 1 1 14 3  28  f 19.710  0.6367 8.869000       1.273000  
1 1 1 14 3  29  o 32.380  0.8129 -1.068000      1.626000  
1 1 1 14 3  30  o 29.890  0.7634 -2.984000      1.527000  
1 1 1 14 3  31  o 36.770  0.9328 2.506000       1.866000  
1 1 1 14 3  32  o 44.180  1.0780 -4.313000      2.155000  
1 1 1 14 3  33  f 15.260  0.7555 8.686000       1.511000  
1 1 1 14 3  34  f 31.710  0.8242 -1.140000      1.648000  
1 1 1 14 3  35  o 25.530  0.7244 -3.946000      1.449000  
1 1 1 14 3  36  o 52.790  1.3110 0.4323000      2.621000  
1 1 1 14 3  37  o 32.710  0.8710 1.126000       1.742000  
1 1 1 14 3  38  o 21.570  0.7395 2.743000       1.479000  
1 1 1 14 3  39  o 19.520  0.7467 -0.6920000     1.493000  
1 1 1 14 3  40  o 32.020  0.8707 -1.904000      1.741000  
1 1 1 14 3  41  o 37.480  0.9946 1.900000       1.989000  
1 1 1 14 3  42  o 8.6820  1.3440 6.304000       2.687000  
1 1 1 14 3  43  f 5.7120  1.5340 -0.6381000     3.069000  
1 1 1 14 3  44  f 42.030  1.2670 -0.3213000     2.534000  
1 1 1 14 3  45  o 32.030  1.0810 2.100000       2.163000  
1 1 1 14 3  46  o 18.460  1.0830 -0.4091000E-01 2.166000  
1 1 1 14 3  47  o 31.630  1.1060 2.103000       2.211000  
1 1 1 14 3  48  o 11.660  1.7270 0.2275000E-02  3.454000  
1 1 1 14 3  49  o 19.730  1.1160 -1.243000      2.233000  
1 1 1 14 3  50  o 8.8910  1.7260 5.078000       3.452000  
1 1 1 14 3  51  o 29.620  1.1250 0.5567000E-01  2.249000  
1 1 1 14 3  52  o 23.000  1.1640 0.5774000      2.329000  
1 1 1 14 3  53  f 9.7770  3.1380 ?              ?         
1 1 1 14 3  54  o 12.750  1.7470 0.8996000      3.494000  
1 1 1 14 3  55  o 5.8200  1.8200 -1.681000      3.640000  
1 1 1 14 3  56  o 9.4170  2.1420 -0.6779000     4.284000  
1 1 1 14 3  57  o 7.2590  2.0240 2.130000       4.048000  
1 1 1 14 3  58  o 6.9050  2.0290 -0.7176000     4.059000  
1 1 1 14 3  59  o 15.510  1.8450 5.260000       3.690000  
1 1 1 14 3  60  f 9.6270  2.1510 4.186000       4.301000  
1 1 1 14 3  61  o 9.9360  2.3070 1.030000       4.614000  
1 1 1 14 3  62  o 6.6170  2.0290 2.819000       4.058000  
1 1 1 14 3  63  o 9.2600  2.4080 -1.300000      4.817000  
1 1 1 14 3  64  o 8.3600  2.3570 -0.8366000     4.713000  
1 1 1 14 3  65  o 7.1180  2.2120 -0.7156000     4.425000  
1 1 1 14 3  66  o 11.920  2.4570 -0.3323000     4.914000  
1 1 1 14 3  67  f 6.8450  2.1090 -1.316000      4.217000  
1 1 1 14 3  68  o 7.9580  2.2150 -3.927000      4.429000  
1 1 1 14 3  69  o 8.0680  2.3130 2.534000       4.626000  
1 1 1 14 3  70  o 10.640  2.5440 1.947000       5.088000  
1 1 1 14 3  71  o 7.8780  2.3500 -1.717000      4.699000  
1 1 1 14 3  72  o 5.8530  1.9710 0.9520000      3.942000  
1 1 1 14 3  73  o 6.3330  2.0740 0.4175000      4.147000  
1 1 1 14 3  74  o 7.1170  2.2110 0.7053000E-01  4.422000  
1 1 1 14 3  75  o 5.7990  1.9370 -1.803000      3.874000  
1 1 1 14 3  76  o 5.6050  1.8930 0.4583000      3.787000  
1 1 1 14 3  77  o 5.6180  1.8840 2.331000       3.769000  
1 1 1 14 3  78  o 6.6600  2.0960 -1.495000      4.192000  
1 1 1 14 3  79  o 6.3520  2.0550 0.1224000      4.111000  
1 1 1 14 3  80  o 4.7120  1.6440 0.1403000      3.287000  
1 1 1 14 3  81  o 5.3580  1.8000 1.259000       3.599000  
1 1 1 14 3  82  o 4.9280  1.6950 1.503000       3.389000  
1 1 1 14 3  83  o 3.9100  1.3830 0.2920000E-01  2.766000  
1 1 1 14 3  84  o 4.1570  1.4160 -0.1227000E-01 2.832000  
1 1 1 14 3  85  o 4.0370  2.0060 ?              ?         
1 1 1 14 4  1   o 36.770  0.9032 -0.4586000E-01 1.806000  
1 1 1 14 4  3   o 55.520  1.0960 1.795000       2.191000  
1 1 1 14 4  4   o 42.150  0.8428 -2.325000      1.686000  
1 1 1 14 4  5   o 19.040  0.6031 ?              ?         
1 1 1 14 4  6   o 35.990  0.6596 3.909000       1.319000  
1 1 1 14 4  7   o 14.980  0.5869 ?              ?         
1 1 1 14 4  8   o 32.830  0.9428 ?              ?         
1 1 1 14 4  9   o 22.060  0.5058 -6.229000      1.012000  
1 1 1 14 4  10  o 10.720  0.4921 -4.954000      0.9841000 
1 1 1 14 4  11  o 25.820  0.5634 3.742000       1.127000  
1 1 1 14 4  12  o 27.900  0.5947 0.4819000      1.189000  
1 1 1 14 4  13  o 50.250  1.9950 ?              ?         
1 1 1 14 4  14  o 19.330  0.8494 ?              ?         
1 1 1 14 4  15  o 40.990  1.0080 0.6126000E-01  2.015000  
1 1 1 14 4  16  o 22.500  0.9499 ?              ?         
1 1 1 14 4  17  o 39.430  0.9659 -1.264000      1.932000  
1 1 1 14 4  18  o 28.270  0.7527 2.892000       1.505000  
1 1 1 14 4  19  o 41.100  1.0010 -2.882000      2.002000  
1 1 1 14 4  20  f 25.960  1.0690 ?              ?         
1 1 1 14 4  21  o 49.910  1.2030 -4.780000      2.405000  
1 1 1 14 4  22  o 25.850  1.0660 ?              ?         
1 1 1 14 4  23  o 15.850  0.6057 -0.1280000     1.211000  
1 1 1 14 4  24  o 25.240  0.6059 -6.667000      1.212000  
1 1 1 14 4  25  o 20.020  0.5874 0.6738000      1.175000  
1 1 1 14 4  26  o 38.090  0.8469 -1.808000      1.694000  
1 1 1 14 4  27  f 21.560  0.5837 -2.801000      1.167000  
1 1 1 14 4  28  o 19.360  0.5812 0.4831000      1.162000  
1 1 1 14 4  29  o 39.000  0.9164 -0.5971000     1.833000  
1 1 1 14 4  30  o 30.690  0.7812 4.535000       1.562000  
1 1 1 14 4  31  o 18.150  0.6141 1.432000       1.228000  
1 1 1 14 4  32  f 12.020  0.7615 0.7083000      1.523000  
1 1 1 14 4  33  o 21.430  0.6695 0.6526000      1.339000  
1 1 1 14 4  34  o 32.440  0.8423 -1.170000      1.685000  
1 1 1 14 4  35  o 48.200  1.1980 0.1530000      2.396000  
1 1 1 14 4  36  o 25.220  0.7709 6.803000       1.542000  
1 1 1 14 4  37  o 42.870  1.0640 -4.787000      2.128000  
1 1 1 14 4  38  f 41.740  1.0820 4.679000       2.165000  
1 1 1 14 4  39  o 28.710  0.8100 -1.789000      1.620000  
1 1 1 14 4  40  o 13.130  0.9478 4.108000       1.896000  
1 1 1 14 4  41  o 8.9490  1.2980 2.063000       2.597000  
1 1 1 14 4  42  o 27.880  0.8317 0.1179000      1.663000  
1 1 1 14 4  43  o 10.960  1.2200 2.212000       2.440000  
1 1 1 14 4  44  o 16.090  0.9199 -0.5295000     1.840000  
1 1 1 14 4  45  o 5.9020  1.5690 1.990000       3.137000  
1 1 1 14 4  46  o 28.960  0.8998 -1.425000      1.800000  
1 1 1 14 4  47  o 23.610  0.9138 2.679000       1.828000  
1 1 1 14 4  48  o 34.340  0.9869 -0.2633000E-01 1.974000  
1 1 1 14 4  49  o 35.000  1.0230 2.243000       2.046000  
1 1 1 14 4  50  o 13.960  1.5630 2.554000       3.126000  
1 1 1 14 4  51  f 11.410  1.7880 -0.8109000     3.576000  
1 1 1 14 4  52  o 6.7770  1.8090 2.923000       3.619000  
1 1 1 14 4  53  o 8.3610  2.0070 -1.862000      4.015000  
1 1 1 14 4  54  o 9.8800  1.9780 1.326000       3.956000  
1 1 1 14 4  55  o 9.1010  1.9280 -6.423000      3.857000  
1 1 1 14 4  56  o 7.2430  2.0410 -0.9503000     4.082000  
1 1 1 14 4  57  o 11.450  1.9140 -4.187000      3.828000  
1 1 1 14 4  58  o 6.1020  2.7220 ?              ?         
1 1 1 14 4  59  o 12.880  1.9640 -3.654000      3.927000  
1 1 1 14 4  60  o 6.0570  1.9090 0.2491000      3.818000  
1 1 1 14 4  61  o 6.5630  2.0150 1.106000       4.030000  
1 1 1 14 4  62  o 16.520  1.7870 1.942000       3.573000  
1 1 1 14 4  63  o 13.220  2.1170 -5.018000      4.234000  
1 1 1 14 4  64  o 8.5590  2.2650 -3.155000      4.530000  
1 1 1 14 4  65  f 7.6670  2.1950 -2.467000      4.390000  
1 1 1 14 4  66  o 9.2360  2.3050 2.809000       4.611000  
1 1 1 14 4  67  o 6.3200  2.0120 1.294000       4.024000  
1 1 1 14 4  68  o 6.0630  1.9810 0.7405000      3.963000  
1 1 1 14 4  69  o 6.1570  2.0250 -0.5130000     4.051000  
1 1 1 14 4  70  o 6.6850  2.1470 -0.9352000     4.293000  
1 1 1 14 4  71  o 5.7200  1.9360 0.9225000E-01  3.873000  
1 1 1 14 4  72  o 6.4770  2.0890 -0.5177000E-01 4.177000  
1 1 1 14 4  73  o 6.5080  2.0730 1.645000       4.146000  
1 1 1 14 4  74  o 5.2190  1.7770 0.5644000      3.553000  
1 1 1 14 4  75  o 5.8290  1.9500 0.1600000E-01  3.899000  
1 1 1 14 4  76  o 5.5320  1.8720 -0.9028000     3.743000  
1 1 1 14 4  77  o 6.3640  2.0370 -1.934000      4.075000  
1 1 1 14 4  78  o 6.3530  2.0430 -0.6535000     4.087000  
1 1 1 14 4  79  o 5.8790  1.9390 1.093000       3.877000  
1 1 1 14 4  80  o 5.7000  1.8960 -0.1385000     3.792000  
1 1 1 14 4  81  o 5.1150  1.7470 -0.2105000     3.495000  
1 1 1 14 4  82  o 5.8220  1.8900 -0.8204000     3.780000  
1 1 1 14 4  83  o 4.3640  1.4870 -0.1541000     2.974000  
1 1 1 14 4  84  o 4.5190  1.5030 0.2275000      3.005000  
1 1 1 14 5  1   o 46.760  0.9277 0.7011000      1.855000  
1 1 1 14 5  3   o 52.660  1.2730 1.870000       2.545000  
1 1 1 14 5  4   o 30.490  0.8841 ?              ?         
1 1 1 14 5  5   o 68.150  1.5470 ?              ?         
1 1 1 14 5  6   o 28.640  0.8320 ?              ?         
1 1 1 14 5  7   o 50.720  0.9215 -0.6214000     1.843000  
1 1 1 14 5  8   o 59.820  1.0760 4.720000       2.152000  
1 1 1 14 5  9   o 32.480  0.9405 ?              ?         
1 1 1 14 5  10  o 11.050  0.6454 ?              ?         
1 1 1 14 5  11  o 25.920  0.7789 ?              ?         
1 1 1 14 5  12  o 36.490  0.7439 1.294000       1.488000  
1 1 1 14 5  14  o 27.770  0.6032 3.191000       1.206000  
1 1 1 14 5  15  o 36.080  0.8902 -2.232000      1.780000  
1 1 1 14 5  16  o 38.850  0.9586 -0.9882000E-01 1.917000  
1 1 1 14 5  17  o 36.530  0.9000 -2.069000      1.800000  
1 1 1 14 5  18  o 40.050  0.9933 0.5802000      1.987000  
1 1 1 14 5  19  f 18.180  0.8382 ?              ?         
1 1 1 14 5  20  o 22.260  0.6334 -0.8512000     1.267000  
1 1 1 14 5  21  o 19.230  0.6127 0.3513000      1.225000  
1 1 1 14 5  22  o 52.440  2.0840 ?              ?         
1 1 1 14 5  23  o 28.380  0.7631 8.611000       1.526000  
1 1 1 14 5  24  o 20.080  0.5471 -2.457000      1.094000  
1 1 1 14 5  25  o 28.460  0.7055 1.090000       1.411000  
1 1 1 14 5  26  o 18.980  0.5515 4.329000       1.103000  
1 1 1 14 5  27  o 32.170  0.7116 -5.636000      1.423000  
1 1 1 14 5  28  o 20.870  0.5944 0.7686000      1.189000  
1 1 1 14 5  29  o 36.750  0.8621 -1.998000      1.724000  
1 1 1 14 5  30  o 30.370  0.8348 1.377000       1.670000  
1 1 1 14 5  31  o 39.480  0.9925 -4.831000      1.985000  
1 1 1 14 5  32  o 42.290  1.0830 1.492000       2.165000  
1 1 1 14 5  33  o 27.360  0.8174 2.913000       1.635000  
1 1 1 14 5  34  o 29.040  0.8284 -0.8032000     1.657000  
1 1 1 14 5  35  f 11.240  1.1620 4.947000       2.323000  
1 1 1 14 5  36  o 34.610  0.9338 0.6184000      1.868000  
1 1 1 14 5  37  o 13.580  1.2550 10.29000       2.510000  
1 1 1 14 5  38  o 19.210  0.8524 3.582000       1.705000  
1 1 1 14 5  39  o 8.8330  1.4400 2.927000       2.879000  
1 1 1 14 5  40  o 25.240  0.8469 0.9988000      1.694000  
1 1 1 14 5  41  o 12.300  1.1750 -1.527000      2.350000  
1 1 1 14 5  42  o 28.580  0.8886 -1.692000      1.777000  
1 1 1 14 5  43  o 11.960  1.4140 7.853000       2.828000  
1 1 1 14 5  44  o 18.000  0.9878 2.129000       1.976000  
1 1 1 14 5  45  o 23.200  0.9396 0.3531000E-01  1.879000  
1 1 1 14 5  46  o 32.130  0.9994 1.136000       1.999000  
1 1 1 14 5  47  o 27.230  0.9682 0.6693000      1.936000  
1 1 1 14 5  48  o 10.510  1.5980 5.604000       3.195000  
1 1 1 14 5  49  o 34.970  1.0380 -3.602000      2.076000  
1 1 1 14 5  50  f 35.010  1.0590 1.678000       2.117000  
1 1 1 14 5  51  f 8.5110  1.9020 0.7461000      3.805000  
1 1 1 14 5  52  o 15.930  1.2980 0.2444000      2.595000  
1 1 1 14 5  53  o 6.9570  1.8570 1.505000       3.713000  
1 1 1 14 5  54  o 12.140  1.6700 -6.522000      3.340000  
1 1 1 14 5  55  o 13.570  1.5590 0.3569000      3.118000  
1 1 1 14 5  56  o 7.5750  2.0510 2.231000       4.102000  
1 1 1 14 5  57  o 8.4040  2.3450 -3.503000      4.690000  
1 1 1 14 5  58  o 9.7890  2.3940 -1.829000      4.787000  
1 1 1 14 5  59  o 8.7200  2.3250 -0.9984000     4.649000  
1 1 1 14 5  60  o 14.090  2.2190 -5.005000      4.439000  
1 1 1 14 5  61  o 7.8070  2.3190 -1.402000      4.637000  
1 1 1 14 5  62  o 6.7210  2.1720 -2.416000      4.344000  
1 1 1 14 5  63  o 8.1610  2.3000 0.6486000      4.599000  
1 1 1 14 5  64  o 6.1970  2.9780 ?              ?         
1 1 1 14 5  65  o 7.9370  2.3100 0.9487000      4.619000  
1 1 1 14 5  66  f 6.6020  2.1560 -2.487000      4.312000  
1 1 1 14 5  67  o 10.030  2.5700 -0.2083000     5.139000  
1 1 1 14 5  68  o 6.5960  2.1540 -0.8164000     4.308000  
1 1 1 14 5  69  o 6.5350  2.1360 0.1803000      4.272000  
1 1 1 14 5  70  o 5.4740  1.8860 -0.8060000     3.773000  
1 1 1 14 5  71  o 5.7080  1.9550 -0.8102000     3.911000  
1 1 1 14 5  72  o 6.4170  2.1030 0.3046000      4.206000  
1 1 1 14 5  73  o 5.4070  1.8490 0.6964000      3.698000  
1 1 1 14 5  74  o 5.8100  1.9740 -1.159000      3.948000  
1 1 1 14 5  75  o 7.6980  2.3150 0.3950000      4.631000  
1 1 1 14 5  76  o 5.6790  1.9390 -0.7139000     3.877000  
1 1 1 14 5  77  o 4.6630  1.6470 -0.2337000     3.294000  
1 1 1 14 5  78  o 6.0710  1.9960 1.981000       3.991000  
1 1 1 14 5  79  o 4.6920  1.6570 -0.6971000     3.313000  
1 1 1 14 5  80  o 4.6920  1.6500 0.3369000      3.299000  
1 1 1 14 5  81  o 3.8530  1.3880 0.1326000      2.775000  
1 1 1 14 5  82  o 4.3890  1.5400 -0.2679000     3.080000  
1 1 1 14 5  83  o 4.6660  1.5680 -0.9578000     3.136000  
1 1 1 14 5  84  o 4.6760  2.2310 ?              ?         
1 1 1 14 6  0   o 57.300  1.5960 0.000000       0.000000  
1 1 1 14 6  1   o 53.830  1.5030 ?              ?         
1 1 1 14 6  2   o 14.560  0.6063 ?              ?         
1 1 1 14 6  3   o 29.320  0.6952 ?              ?         
1 1 1 14 6  4   o 15.690  0.4838 ?              ?         
1 1 1 14 6  5   o 17.450  0.6550 ?              ?         
1 1 1 14 6  6   o 64.490  1.4640 ?              ?         
1 1 1 14 6  8   o 14.290  0.4112 0.2136000      0.8224000 
1 1 1 14 6  9   o 16.690  0.4200 4.121000       0.8401000 
1 1 1 14 6  10  o 36.990  0.6816 3.202000       1.363000  
1 1 1 14 6  11  o 25.850  0.5712 1.488000       1.142000  
1 1 1 14 6  12  o 25.370  0.5637 -0.2298000     1.127000  
1 1 1 14 6  13  f 15.810  0.4934 -1.410000      0.9869000 
1 1 1 14 6  14  o 26.930  0.5966 5.463000       1.193000  
1 1 1 14 6  15  o 62.080  1.2370 0.9735000      2.474000  
1 1 1 14 6  16  o 37.010  1.0650 ?              ?         
1 1 1 14 6  17  o 43.720  0.8846 2.667000       1.769000  
1 1 1 14 6  18  o 56.040  1.3710 -0.2895000     2.741000  
1 1 1 14 6  19  o 23.440  0.7573 15.14000       1.515000  
1 1 1 14 6  20  f 22.190  0.5694 -4.300000      1.139000  
1 1 1 14 6  21  o 30.660  0.7310 -1.063000      1.462000  
1 1 1 14 6  22  o 14.670  0.5064 1.622000       1.013000  
1 1 1 14 6  23  o 26.170  0.6708 -3.097000      1.342000  
1 1 1 14 6  24  o 43.630  1.0160 0.2561000      2.031000  
1 1 1 14 6  25  o 37.960  0.8779 -2.552000      1.756000  
1 1 1 14 6  26  o 48.850  1.1400 1.006000       2.281000  
1 1 1 14 6  27  o 33.130  0.8186 3.630000       1.637000  
1 1 1 14 6  28  o 8.4550  0.7452 2.376000       1.490000  
1 1 1 14 6  29  o 21.780  0.6093 -2.307000      1.219000  
1 1 1 14 6  30  o 34.370  0.8722 -5.050000      1.744000  
1 1 1 14 6  31  o 55.070  1.2930 1.538000       2.586000  
1 1 1 14 6  32  o 49.370  1.1240 -5.627000      2.247000  
1 1 1 14 6  33  o 58.520  1.4550 -0.6372000E-01 2.909000  
1 1 1 14 6  34  o 28.100  0.8617 5.554000       1.723000  
1 1 1 14 6  35  o 26.910  0.8451 5.596000       1.690000  
1 1 1 14 6  36  o 32.150  0.8779 -5.721000      1.756000  
1 1 1 14 6  37  o 29.470  0.9003 5.369000       1.801000  
1 1 1 14 6  38  o 26.260  0.8360 -0.3555000     1.672000  
1 1 1 14 6  39  o 16.330  0.9327 2.011000       1.865000  
1 1 1 14 6  40  o 15.880  0.9447 3.011000       1.889000  
1 1 1 14 6  41  o 12.950  1.0730 -0.8390000     2.146000  
1 1 1 14 6  42  o 15.680  1.0310 3.219000       2.063000  
1 1 1 14 6  43  o 38.230  1.0360 -3.277000      2.072000  
1 1 1 14 6  44  o 31.060  1.0220 10.10000       2.043000  
1 1 1 14 6  45  o 41.130  1.1060 -4.376000      2.212000  
1 1 1 14 6  46  o 14.030  1.4130 7.477000       2.826000  
1 1 1 14 6  47  o 22.410  0.9576 -2.185000      1.915000  
1 1 1 14 6  48  o 31.940  0.9807 -0.8402000     1.961000  
1 1 1 14 6  49  o 11.040  1.6440 0.9406000      3.289000  
1 1 1 14 6  50  o 21.390  1.0170 -0.4426000     2.035000  
1 1 1 14 6  51  o 14.010  1.3910 -0.2952000     2.782000  
1 1 1 14 6  52  o 10.170  1.7760 0.4045000      3.552000  
1 1 1 14 6  53  o 6.4820  1.8290 0.2736000      3.659000  
1 1 1 14 6  54  o 5.9960  1.7780 1.186000       3.556000  
1 1 1 14 6  55  o 10.370  1.8700 -3.766000      3.740000  
1 1 1 14 6  56  o 7.4310  1.9790 -0.2558000     3.958000  
1 1 1 14 6  57  f 14.430  1.5840 -1.340000      3.168000  
1 1 1 14 6  58  o 7.6780  2.0320 0.7354000      4.064000  
1 1 1 14 6  59  o 6.5720  1.9400 -1.913000      3.880000  
1 1 1 14 6  60  o 17.200  1.4620 -3.627000      2.925000  
1 1 1 14 6  61  o 7.2360  2.0540 0.7414000      4.109000  
1 1 1 14 6  62  o 6.3020  2.0770 -2.138000      4.155000  
1 1 1 14 6  63  o 10.370  2.4960 0.7647000      4.992000  
1 1 1 14 6  64  o 6.6400  2.1210 -0.2928000E-02 4.243000  
1 1 1 14 6  65  o 9.3960  2.3280 3.681000       4.655000  
1 1 1 14 6  66  o 8.9460  2.4600 0.3316000      4.920000  
1 1 1 14 6  67  o 9.6450  2.5820 -3.389000      5.164000  
1 1 1 14 6  68  o 7.1240  2.2240 0.1282000      4.447000  
1 1 1 14 6  69  o 6.6600  2.1070 1.071000       4.213000  
1 1 1 14 6  70  o 7.2660  3.3960 ?              ?         
1 1 1 14 6  71  o 6.6980  2.1570 0.1764000      4.314000  
1 1 1 14 6  72  o 5.7500  1.9430 -0.4561000     3.886000  
1 1 1 14 6  73  o 5.5690  1.8840 0.5525000      3.768000  
1 1 1 14 6  74  o 5.5170  1.8880 -0.8210000     3.776000  
1 1 1 14 6  75  o 5.6810  1.9390 -1.564000      3.878000  
1 1 1 14 6  76  o 5.0340  1.7240 1.131000       3.447000  
1 1 1 14 6  77  o 6.4180  2.0960 -0.8857000     4.192000  
1 1 1 14 6  78  o 4.4610  1.5770 -0.9199000E-01 3.154000  
1 1 1 14 6  79  o 5.2590  1.7970 -1.149000      3.593000  
1 1 1 14 6  80  o 4.9970  1.7270 -0.1283000     3.453000  
1 1 1 14 6  81  o 4.6970  1.6310 0.5411000      3.261000  
1 1 1 14 6  82  o 3.6230  1.2900 0.3264000      2.580000  
1 1 1 14 6  83  o 4.2350  2.0760 ?              ?         
1 1 1 14 7  0   o 35.800  0.7301 -0.000000      0.000000  
1 1 1 14 7  1   o 31.510  0.5939 -1.739000      1.188000  
1 1 1 14 7  2   o 51.280  0.8316 0.5058000      1.663000  
1 1 1 14 7  3   o 41.500  0.6800 0.6577000      1.360000  
1 1 1 14 7  4   o 42.460  0.6923 0.2960000E-01  1.385000  
1 1 1 14 7  5   o 31.780  0.5387 -0.2793000     1.077000  
1 1 1 14 7  6   o 25.970  0.4570 -1.102000      0.9140000 
1 1 1 14 7  7   o 36.060  0.5953 -0.6284000     1.191000  
1 1 1 14 7  8   o 15.860  0.4819 3.534000       0.9637000 
1 1 1 14 7  9   o 9.0070  0.4631 -0.7383000     0.9261000 
1 1 1 14 7  10  o 19.120  0.4200 -0.5863000     0.8399000 
1 1 1 14 7  11  o 15.490  0.4113 3.181000       0.8227000 
1 1 1 14 7  12  f 51.460  1.0280 5.575000       2.056000  
1 1 1 14 7  13  o 44.860  0.8167 -2.741000      1.633000  
1 1 1 14 7  14  o 23.160  0.7909 ?              ?         
1 1 1 14 7  15  o 29.510  0.9140 ?              ?         
1 1 1 14 7  16  o 43.330  0.7969 1.063000       1.594000  
1 1 1 14 7  17  o 35.350  1.0130 ?              ?         
1 1 1 14 7  18  o 16.810  0.4379 2.187000       0.8758000 
1 1 1 14 7  19  o 29.310  0.5679 -3.857000      1.136000  
1 1 1 14 7  20  o 22.350  0.4864 -0.4315000E-01 0.9729000 
1 1 1 14 7  21  o 35.490  0.8276 -1.618000      1.655000  
1 1 1 14 7  22  o 16.180  0.5753 4.757000       1.151000  
1 1 1 14 7  23  o 41.360  0.9513 -2.751000      1.903000  
1 1 1 14 7  24  o 44.900  1.0470 0.7155000      2.095000  
1 1 1 14 7  25  o 42.080  0.9857 0.3454000      1.971000  
1 1 1 14 7  26  f 20.830  0.5852 -1.008000      1.170000  
1 1 1 14 7  27  o 16.110  0.5679 3.400000       1.136000  
1 1 1 14 7  28  o 14.180  0.5837 0.5734000      1.167000  
1 1 1 14 7  29  o 21.990  0.6116 -4.120000      1.223000  
1 1 1 14 7  30  o 18.590  0.6020 0.8473000      1.204000  
1 1 1 14 7  31  o 28.200  0.7172 -1.115000      1.434000  
1 1 1 14 7  32  o 16.450  0.6256 0.7418000      1.251000  
1 1 1 14 7  33  o 18.630  0.6384 -3.003000      1.277000  
1 1 1 14 7  34  o 10.550  0.8207 6.820000       1.641000  
1 1 1 14 7  35  o 17.120  0.6528 0.3165000      1.306000  
1 1 1 14 7  36  o 21.110  0.7985 -1.961000      1.597000  
1 1 1 14 7  37  o 35.270  0.9615 -0.7415000     1.923000  
1 1 1 14 7  38  o 11.650  1.2830 7.895000       2.565000  
1 1 1 14 7  39  o 11.010  1.1960 -1.627000      2.391000  
1 1 1 14 7  40  o 8.8380  1.4580 -0.1854000     2.916000  
1 1 1 14 7  41  o 11.180  1.2720 -0.8139000     2.544000  
1 1 1 14 7  42  o 19.110  0.8828 -3.495000      1.766000  
1 1 1 14 7  43  o 15.700  1.0370 1.259000       2.073000  
1 1 1 14 7  44  o 10.170  1.4890 4.600000       2.979000  
1 1 1 14 7  45  o 8.2460  1.7070 -1.442000      3.414000  
1 1 1 14 7  46  o 10.490  1.5710 4.005000       3.141000  
1 1 1 14 7  47  o 15.830  1.1420 1.686000       2.285000  
1 1 1 14 7  48  f 11.890  1.4490 -2.050000      2.898000  
1 1 1 14 7  49  o 7.4900  1.7870 0.6623000      3.573000  
1 1 1 14 7  50  f 8.3250  1.8260 0.9229000E-02  3.652000  
1 1 1 14 7  51  o 17.790  1.1050 1.009000       2.211000  
1 1 1 14 7  52  o 16.700  1.2050 -1.281000      2.410000  
1 1 1 14 7  53  o 6.5320  1.8370 -0.1286000     3.675000  
1 1 1 14 7  54  o 6.6570  1.8500 1.387000       3.701000  
1 1 1 14 7  55  o 15.370  1.3740 -1.715000      2.748000  
1 1 1 14 7  56  o 8.0640  1.9690 -2.846000      3.938000  
1 1 1 14 7  57  o 9.6460  2.0430 -2.009000      4.086000  
1 1 1 14 7  58  o 5.3500  1.7180 1.209000       3.435000  
1 1 1 14 7  59  o 9.8680  2.0630 2.364000       4.126000  
1 1 1 14 7  60  o 7.2550  2.0430 0.3417000      4.086000  
1 1 1 14 7  61  o 18.380  1.4660 -0.1762000     2.931000  
1 1 1 14 7  62  o 6.5080  2.0080 0.6931000      4.016000  
1 1 1 14 7  63  o 8.7680  1.9820 6.441000       3.963000  
1 1 1 14 7  64  f 14.840  1.8840 -3.887000      3.768000  
1 1 1 14 7  65  o 8.1090  2.1870 1.359000       4.373000  
1 1 1 14 7  66  o 5.5800  1.8410 -0.8934000     3.682000  
1 1 1 14 7  67  o 7.3190  2.2630 0.1132000E-01  4.526000  
1 1 1 14 7  68  o 7.0960  2.2470 -0.7403000     4.495000  
1 1 1 14 7  69  o 6.0470  2.0300 -0.5995000     4.060000  
1 1 1 14 7  70  o 6.3190  2.0750 -0.4685000     4.151000  
1 1 1 14 7  71  o 5.7660  1.9180 0.5860000      3.835000  
1 1 1 14 7  72  o 6.2290  2.0630 -1.959000      4.126000  
1 1 1 14 7  73  o 6.7910  2.1320 0.7956000      4.263000  
1 1 1 14 7  74  o 6.2320  2.0690 -2.332000      4.138000  
1 1 1 14 7  75  o 6.0470  1.9670 0.4263000      3.934000  
1 1 1 14 7  76  o 5.6610  1.8920 0.2909000      3.783000  
1 1 1 14 7  77  o 5.1510  2.5630 ?              ?         
1 1 1 14 7  78  o 4.4960  1.5720 -0.1410000     3.145000  
1 1 1 14 7  79  o 5.1370  1.7500 -0.7899000     3.499000  
1 1 1 14 7  80  o 4.3080  1.5090 0.2573000      3.018000  
1 1 1 14 7  81  o 3.7830  1.3390 0.7213000      2.677000  
1 1 1 14 7  82  o 3.7920  1.3200 -0.3041000E-01 2.641000  
1 1 1 14 8  0   o 15.830  0.6728 -0.000000      0.000000  
1 1 1 14 8  1   o 41.690  0.5942 0.8298000      1.188000  
1 1 1 14 8  2   o 38.560  0.6015 -1.746000      1.203000  
1 1 1 14 8  3   o 15.080  0.5045 0.9480000      1.009000  
1 1 1 14 8  4   o 50.650  0.8844 -3.279000      1.769000  
1 1 1 14 8  5   o 38.210  0.5949 0.6559000      1.190000  
1 1 1 14 8  6   o 40.950  0.6338 -0.8298000     1.268000  
1 1 1 14 8  7   o 38.370  0.5985 -0.2185000     1.197000  
1 1 1 14 8  8   f 25.150  0.5101 2.492000       1.020000  
1 1 1 14 8  9   o 40.760  0.7209 -1.307000      1.442000  
1 1 1 14 8  10  o 19.960  0.5778 -0.3804000     1.156000  
1 1 1 14 8  11  o 16.990  0.3844 -0.3808000     0.7689000 
1 1 1 14 8  12  o 11.710  0.4120 -2.283000      0.8240000 
1 1 1 14 8  13  o 45.190  0.8279 0.4563000      1.656000  
1 1 1 14 8  14  o 24.320  0.7487 ?              ?         
1 1 1 14 8  15  o 62.880  1.2500 -3.206000      2.500000  
1 1 1 14 8  16  o 14.500  0.8042 ?              ?         
1 1 1 14 8  17  o 25.380  0.5195 -1.173000      1.039000  
1 1 1 14 8  18  o 28.150  0.5608 -0.5013000E-01 1.122000  
1 1 1 14 8  19  o 35.010  0.6608 -0.8644000     1.322000  
1 1 1 14 8  21  o 38.720  0.9255 ?              ?         
1 1 1 14 8  22  o 41.310  0.7669 -3.476000      1.534000  
1 1 1 14 8  23  o 18.780  0.6837 ?              ?         
1 1 1 14 8  24  o 17.460  0.5707 -0.5583000     1.141000  
1 1 1 14 8  25  o 23.190  0.6297 0.5784000      1.259000  
1 1 1 14 8  26  o 36.920  0.8526 -4.741000      1.705000  
1 1 1 14 8  27  o 21.810  0.6306 2.899000       1.261000  
1 1 1 14 8  28  o 9.2370  0.7777 4.441000       1.555000  
1 1 1 14 8  29  o 6.7790  1.0060 -3.097000      2.012000  
1 1 1 14 8  30  o 13.720  0.6334 0.7459000      1.267000  
1 1 1 14 8  31  o 7.0300  1.0330 2.632000       2.066000  
1 1 1 14 8  32  f 16.780  0.6347 0.4080000E-01  1.269000  
1 1 1 14 8  33  o 16.640  0.6649 -0.1396000     1.330000  
1 1 1 14 8  34  o 24.050  0.6959 -0.2212000     1.392000  
1 1 1 14 8  35  o 4.7820  1.2200 2.811000       2.441000  
1 1 1 14 8  36  f 20.190  0.6698 -3.757000      1.340000  
1 1 1 14 8  37  o 15.260  0.7168 3.540000       1.434000  
1 1 1 14 8  38  o 30.250  0.8103 -0.1785000     1.621000  
1 1 1 14 8  39  f 18.820  0.8673 -4.546000      1.735000  
1 1 1 14 8  40  o 34.620  0.9486 -3.732000      1.897000  
1 1 1 14 8  41  o 19.230  0.9292 5.996000       1.858000  
1 1 1 14 8  42  o 9.9470  1.4040 -2.372000      2.809000  
1 1 1 14 8  43  o 7.4290  1.6780 -1.454000      3.356000  
1 1 1 14 8  44  o 16.060  1.0560 1.478000       2.112000  
1 1 1 14 8  45  o 22.410  0.9036 -1.900000      1.807000  
1 1 1 14 8  46  o 15.390  1.1090 -0.2981000     2.218000  
1 1 1 14 8  47  f 29.300  0.9402 -0.6292000     1.880000  
1 1 1 14 8  48  o 16.220  1.2100 4.381000       2.419000  
1 1 1 14 8  49  o 13.900  1.3410 -4.681000      2.682000  
1 1 1 14 8  50  o 9.3670  1.6070 6.062000       3.213000  
1 1 1 14 8  51  o 11.230  1.6410 6.056000       3.281000  
1 1 1 14 8  52  o 21.660  1.0230 -2.262000      2.046000  
1 1 1 14 8  53  o 12.140  1.6940 2.181000       3.387000  
1 1 1 14 8  54  o 18.620  1.2130 0.6840000      2.426000  
1 1 1 14 8  55  o 15.890  1.3870 2.841000       2.775000  
1 1 1 14 8  56  o 8.0650  1.9920 2.265000       3.983000  
1 1 1 14 8  57  o 6.4990  1.8960 -2.723000      3.791000  
1 1 1 14 8  58  o 8.3580  2.0570 -1.188000      4.113000  
1 1 1 14 8  59  o 5.6560  1.8140 -1.778000      3.629000  
1 1 1 14 8  60  o 20.280  1.3820 -2.848000      2.764000  
1 1 1 14 8  61  o 8.1900  2.1200 2.303000       4.240000  
1 1 1 14 8  62  o 10.430  2.1830 -2.099000      4.366000  
1 1 1 14 8  63  o 6.0260  1.8880 1.247000       3.776000  
1 1 1 14 8  64  o 7.1240  2.0840 -1.213000      4.167000  
1 1 1 14 8  65  f 5.0440  1.6940 0.2403000      3.387000  
1 1 1 14 8  66  o 6.4300  1.9880 0.2784000      3.977000  
1 1 1 14 8  67  o 6.8840  2.0750 0.2686000      4.150000  
1 1 1 14 8  68  o 5.2900  1.7780 0.3465000E-01  3.556000  
1 1 1 14 8  69  o 8.2740  2.1810 -2.484000      4.361000  
1 1 1 14 8  70  o 10.380  2.2130 1.958000       4.425000  
1 1 1 14 8  71  f 5.8350  1.8700 -0.8618000     3.740000  
1 1 1 14 8  72  o 5.9020  1.9800 -2.018000      3.959000  
1 1 1 14 8  73  o 4.8270  1.7020 -1.420000      3.403000  
1 1 1 14 8  74  o 6.3970  2.1000 -1.641000      4.199000  
1 1 1 14 8  75  o 4.8750  1.7200 -1.306000      3.440000  
1 1 1 14 8  76  o 5.8410  1.8980 1.407000       3.796000  
1 1 1 14 8  77  o 4.9410  1.7150 -0.9452000     3.429000  
1 1 1 14 8  78  o 4.8590  1.6690 0.6018000      3.338000  
1 1 1 14 8  79  f 5.0490  1.7410 -1.311000      3.481000  
1 1 1 14 8  80  o 3.4660  1.2400 0.1796000      2.479000  
1 1 1 14 8  81  o 3.9280  1.3590 -0.9217000E-03 2.717000  
1 1 1 14 8  82  o 3.7810  1.8610 ?              ?         
1 1 1 14 9  0   o 25.660  0.5759 -0.000000      0.000000  
1 1 1 14 9  1   o 15.880  0.3912 -0.5203000     0.7824000 
1 1 1 14 9  2   o 36.910  0.5340 0.3493000      1.068000  
1 1 1 14 9  3   o 25.880  0.4843 -1.717000      0.9685000 
1 1 1 14 9  4   f 35.410  0.5583 -0.4674000     1.117000  
1 1 1 14 9  5   o 63.860  1.1130 -4.494000      2.225000  
1 1 1 14 9  6   f 26.990  0.6170 7.492000       1.234000  
1 1 1 14 9  7   o 35.700  0.5622 1.172000       1.124000  
1 1 1 14 9  8   o 40.840  0.6749 -4.888000      1.350000  
1 1 1 14 9  9   o 19.460  0.5021 -0.8247000     1.004000  
1 1 1 14 9  10  o 14.510  0.4022 0.2636000      0.8045000 
1 1 1 14 9  11  o 18.890  0.4002 2.176000       0.8005000 
1 1 1 14 9  12  o 22.710  0.4203 0.9241000      0.8407000 
1 1 1 14 9  13  o 37.940  0.6766 1.081000       1.353000  
1 1 1 14 9  14  o 38.690  0.6106 -2.110000      1.221000  
1 1 1 14 9  15  o 9.9950  0.6215 -2.025000      1.243000  
1 1 1 14 9  16  o 33.770  0.5451 1.363000       1.090000  
1 1 1 14 9  17  o 8.6780  1.0050 -5.789000      2.009000  
1 1 1 14 9  18  o 13.270  0.4722 -0.3407000     0.9443000 
1 1 1 14 9  19  f 31.600  0.7867 ?              ?         
1 1 1 14 9  20  o 38.350  0.7244 -1.199000      1.449000  
1 1 1 14 9  21  o 29.510  0.5874 1.321000       1.175000  
1 1 1 14 9  22  o 27.990  0.5672 0.1784000      1.134000  
1 1 1 14 9  23  o 32.120  0.8298 ?              ?         
1 1 1 14 9  24  o 26.360  0.5569 0.4386000      1.114000  
1 1 1 14 9  25  o 18.580  0.5031 0.8134000      1.006000  
1 1 1 14 9  26  f 17.160  0.6616 ?              ?         
1 1 1 14 9  27  o 7.1970  0.8476 0.3151000      1.695000  
1 1 1 14 9  28  o 16.910  0.6094 -1.283000      1.219000  
1 1 1 14 9  29  o 21.250  0.6307 -1.303000      1.261000  
1 1 1 14 9  30  o 28.150  0.7304 -0.2994000     1.461000  
1 1 1 14 9  31  o 16.850  0.6454 3.151000       1.291000  
1 1 1 14 9  32  o 35.750  0.8664 -2.282000      1.733000  
1 1 1 14 9  33  o 23.130  0.6860 2.634000       1.372000  
1 1 1 14 9  34  o 13.740  0.7143 2.942000       1.429000  
1 1 1 14 9  35  o 7.7610  1.1600 -1.540000      2.320000  
1 1 1 14 9  36  o 25.100  0.7150 -4.693000      1.430000  
1 1 1 14 9  37  o 47.570  1.1990 -3.588000      2.398000  
1 1 1 14 9  38  o 18.160  0.7917 11.23000       1.583000  
1 1 1 14 9  39  o 9.9770  1.0200 1.550000       2.040000  
1 1 1 14 9  40  o 12.870  0.8445 2.179000       1.689000  
1 1 1 14 9  41  o 19.330  0.7388 -3.011000      1.478000  
1 1 1 14 9  42  o 21.920  0.7509 2.421000       1.502000  
1 1 1 14 9  43  o 8.4420  1.5850 1.797000       3.169000  
1 1 1 14 9  44  f 18.580  0.9562 -0.8523000E-01 1.912000  
1 1 1 14 9  45  o 24.140  0.9435 -2.047000      1.887000  
1 1 1 14 9  46  o 31.180  0.9718 -2.206000      1.944000  
1 1 1 14 9  47  o 25.480  0.9848 6.337000       1.970000  
1 1 1 14 9  48  o 14.900  1.1830 -6.390000      2.366000  
1 1 1 14 9  49  o 8.0380  1.6310 3.831000       3.261000  
1 1 1 14 9  50  o 23.130  0.9811 -2.094000      1.962000  
1 1 1 14 9  51  o 14.900  1.5940 8.834000       3.188000  
1 1 1 14 9  52  o 21.400  1.1140 -3.369000      2.228000  
1 1 1 14 9  53  o 22.980  1.1250 3.423000       2.250000  
1 1 1 14 9  54  o 13.450  1.5980 -4.090000      3.197000  
1 1 1 14 9  55  o 7.4760  1.9340 2.136000       3.869000  
1 1 1 14 9  56  o 6.3750  1.8980 0.3115000      3.796000  
1 1 1 14 9  57  o 5.8220  1.8330 -1.653000      3.665000  
1 1 1 14 9  58  o 7.8820  1.9780 3.470000       3.957000  
1 1 1 14 9  59  o 9.0550  2.1400 1.499000       4.281000  
1 1 1 14 9  60  o 6.8160  2.0140 -2.265000      4.028000  
1 1 1 14 9  61  f 10.290  2.1050 1.798000       4.210000  
1 1 1 14 9  62  o 8.4310  2.1190 -0.1446000     4.238000  
1 1 1 14 9  63  o 6.9190  2.0250 -0.5710000     4.050000  
1 1 1 14 9  64  o 8.2590  2.1450 -0.1548000     4.290000  
1 1 1 14 9  65  o 8.2450  2.0110 3.485000       4.022000  
1 1 1 14 9  66  o 7.5360  2.0990 0.4832000      4.197000  
1 1 1 14 9  67  o 5.6080  1.8210 -1.504000      3.643000  
1 1 1 14 9  68  o 5.5010  1.7840 1.219000       3.568000  
1 1 1 14 9  69  o 4.8750  1.6530 0.7751000      3.306000  
1 1 1 14 9  70  o 5.2660  1.7500 -1.440000      3.500000  
1 1 1 14 9  71  o 5.3590  1.7690 1.420000       3.537000  
1 1 1 14 9  72  o 5.3650  1.7640 1.759000       3.529000  
1 1 1 14 9  73  o 4.9840  1.6810 0.2286000      3.363000  
1 1 1 14 9  74  o 4.3960  1.5250 0.5107000      3.050000  
1 1 1 14 9  75  o 5.9850  1.8660 -1.110000      3.733000  
1 1 1 14 9  76  o 4.9600  1.6510 -0.8380000     3.302000  
1 1 1 14 9  77  o 4.8350  1.6750 0.1856000      3.350000  
1 1 1 14 9  78  o 4.5760  1.5970 0.4150000      3.194000  
1 1 1 14 9  79  o 3.6830  1.3110 -0.3013000     2.622000  
1 1 1 14 9  80  o 4.0340  1.3970 0.4508000      2.793000  
1 1 1 14 9  81  o 5.2990  2.3970 ?              ?         
1 1 1 14 10 0   o 57.790  1.1430 0.000000       0.000000  
1 1 1 14 10 1   o 24.240  0.4658 5.914000       0.9315000 
1 1 1 14 10 2   o 36.470  0.5311 -0.2201000     1.062000  
1 1 1 14 10 3   o 27.800  0.4752 -1.253000      0.9505000 
1 1 1 14 10 4   o 37.010  0.5406 -0.9289000     1.081000  
1 1 1 14 10 5   o 24.240  0.5336 8.784000       1.067000  
1 1 1 14 10 6   o 26.550  0.4643 -0.1295000     0.9286000 
1 1 1 14 10 7   o 36.120  0.5702 1.868000       1.140000  
1 1 1 14 10 8   o 27.660  0.5462 1.187000       1.092000  
1 1 1 14 10 9   o 31.830  0.5550 0.8189000      1.110000  
1 1 1 14 10 10  o 54.820  0.8319 1.435000       1.664000  
1 1 1 14 10 11  o 50.180  0.7706 -0.6721000     1.541000  
1 1 1 14 10 12  o 53.470  0.8154 0.2066000      1.631000  
1 1 1 14 10 13  o 11.350  0.7591 0.4086000E-01  1.518000  
1 1 1 14 10 14  o 31.210  0.5910 -0.5444000     1.182000  
1 1 1 14 10 15  o 22.240  0.4740 -4.928000      0.9481000 
1 1 1 14 10 16  o 13.770  0.4440 0.6501000      0.8879000 
1 1 1 14 10 17  o 30.550  0.5135 0.9296000      1.027000  
1 1 1 14 10 18  o 70.650  1.0700 0.4415000      2.140000  
1 1 1 14 10 19  o 16.040  0.9656 ?              ?         
1 1 1 14 10 20  o 23.370  0.4916 0.8670000E-01  0.9832000 
1 1 1 14 10 21  o 19.750  0.4859 -2.147000      0.9719000 
1 1 1 14 10 22  o 28.060  0.5347 0.2636000      1.069000  
1 1 1 14 10 23  o 17.470  0.6512 -5.013000      1.302000  
1 1 1 14 10 24  f 33.650  0.6037 -1.056000      1.207000  
1 1 1 14 10 25  o 41.840  0.7127 -1.073000      1.425000  
1 1 1 14 10 26  o 23.850  0.7190 ?              ?         
1 1 1 14 10 27  o 29.130  0.5958 -2.576000      1.192000  
1 1 1 14 10 28  o 33.570  0.6685 0.3654000      1.337000  
1 1 1 14 10 29  f 20.190  0.7317 ?              ?         
1 1 1 14 10 30  o 15.800  0.5494 -2.564000      1.099000  
1 1 1 14 10 31  o 34.060  0.8572 1.594000       1.714000  
1 1 1 14 10 32  f 27.270  0.7279 -0.1082000     1.456000  
1 1 1 14 10 33  o 20.470  0.6779 2.554000       1.356000  
1 1 1 14 10 34  o 32.850  0.8149 -3.709000      1.630000  
1 1 1 14 10 35  o 37.440  0.9250 0.5533000      1.850000  
1 1 1 14 10 36  o 11.540  0.8600 4.652000       1.720000  
1 1 1 14 10 37  o 14.090  0.7791 0.5243000      1.558000  
1 1 1 14 10 38  o 10.770  0.9564 -1.121000      1.913000  
1 1 1 14 10 39  o 17.880  0.7209 -1.174000      1.442000  
1 1 1 14 10 40  o 29.430  0.8066 -0.6091000     1.613000  
1 1 1 14 10 41  o 10.070  1.1690 8.469000       2.338000  
1 1 1 14 10 42  o 35.200  0.9070 -6.783000      1.814000  
1 1 1 14 10 43  o 44.640  1.1320 2.957000       2.264000  
1 1 1 14 10 44  o 22.290  0.7831 -0.4871000     1.566000  
1 1 1 14 10 45  o 26.750  0.8103 -0.1126000     1.621000  
1 1 1 14 10 46  o 14.780  0.8717 1.398000       1.743000  
1 1 1 14 10 47  o 21.140  0.9607 -1.887000      1.921000  
1 1 1 14 10 48  o 16.230  1.1960 -1.200000      2.391000  
1 1 1 14 10 49  o 20.120  1.1200 3.788000       2.240000  
1 1 1 14 10 50  o 7.1860  1.8220 -3.097000      3.645000  
1 1 1 14 10 51  o 10.630  1.7260 -4.507000      3.452000  
1 1 1 14 10 52  o 17.650  1.1850 1.052000       2.371000  
1 1 1 14 10 53  o 12.610  1.6670 -3.340000      3.334000  
1 1 1 14 10 54  o 18.850  1.3020 1.758000       2.605000  
1 1 1 14 10 55  o 8.2090  2.1070 0.4152000      4.214000  
1 1 1 14 10 56  o 6.8180  1.9840 0.6749000      3.968000  
1 1 1 14 10 57  o 6.5870  1.8530 -5.315000      3.705000  
1 1 1 14 10 58  o 5.3450  1.7280 0.8752000      3.455000  
1 1 1 14 10 59  f 8.1130  2.0820 0.5353000E-01  4.163000  
1 1 1 14 10 60  o 5.7960  1.8200 -0.4994000     3.640000  
1 1 1 14 10 61  o 7.3800  2.0070 1.576000       4.015000  
1 1 1 14 10 62  o 8.4530  2.1350 -2.925000      4.270000  
1 1 1 14 10 63  o 10.080  2.0300 3.912000       4.060000  
1 1 1 14 10 64  o 5.7300  1.8340 -0.9095000     3.668000  
1 1 1 14 10 65  o 7.1580  2.0650 -0.9376000     4.130000  
1 1 1 14 10 66  o 6.5750  1.9810 -1.628000      3.963000  
1 1 1 14 10 67  o 6.7110  1.9320 2.561000       3.865000  
1 1 1 14 10 68  o 5.6130  1.8040 1.508000       3.608000  
1 1 1 14 10 69  o 6.4700  1.9180 -2.638000      3.836000  
1 1 1 14 10 70  o 7.2980  2.0250 -3.140000      4.049000  
1 1 1 14 10 71  o 5.2110  1.7280 -0.8801000     3.455000  
1 1 1 14 10 72  o 4.9370  1.6650 0.3701000      3.331000  
1 1 1 14 10 73  o 4.9070  1.6600 0.5015000      3.320000  
1 1 1 14 10 74  o 5.7380  1.8410 0.5395000      3.681000  
1 1 1 14 10 75  f 5.7180  1.8120 -0.7741000     3.625000  
1 1 1 14 10 76  o 4.8010  1.6240 0.2174000      3.248000  
1 1 1 14 10 77  o 4.1680  1.4430 -0.4074000     2.886000  
1 1 1 14 10 78  o 4.1570  1.4250 1.079000       2.849000  
1 1 1 14 10 79  o 4.8140  1.5430 0.6742000      3.087000  
1 1 1 14 10 80  o 4.9620  2.2960 ?              ?         
1 1 1 14 11 0   o 24.660  0.5815 -0.000000      0.000000  
1 1 1 14 11 1   o 33.710  0.5015 0.3600000      1.003000  
1 1 1 14 11 2   o 21.020  0.4901 3.410000       0.9802000 
1 1 1 14 11 3   o 7.6720  0.7071 0.4701000      1.414000  
1 1 1 14 11 4   o 25.160  0.4837 -0.3404000     0.9674000 
1 1 1 14 11 5   o 24.810  0.5213 -0.2118000     1.043000  
1 1 1 14 11 6   o 46.140  0.6590 -0.7826000E-01 1.318000  
1 1 1 14 11 7   o 23.580  0.6066 12.42000       1.213000  
1 1 1 14 11 8   o 47.300  0.8276 0.3712000      1.655000  
1 1 1 14 11 9   o 46.130  0.7154 -1.621000      1.431000  
1 1 1 14 11 10  o 36.100  0.5790 -1.016000      1.158000  
1 1 1 14 11 11  f 51.550  0.9076 -3.267000      1.815000  
1 1 1 14 11 12  o 12.160  0.7332 -1.546000      1.466000  
1 1 1 14 11 13  o 9.7210  0.7280 1.314000       1.456000  
1 1 1 14 11 14  f 36.820  0.6692 0.5907000      1.338000  
1 1 1 14 11 15  o 54.100  0.8245 3.300000       1.649000  
1 1 1 14 11 16  f 73.370  1.1140 -1.564000      2.227000  
1 1 1 14 11 17  o 27.880  0.7647 ?              ?         
1 1 1 14 11 18  o 28.790  0.5035 -0.8199000     1.007000  
1 1 1 14 11 19  o 31.030  0.5210 1.534000       1.042000  
1 1 1 14 11 20  o 13.980  1.1080 ?              ?         
1 1 1 14 11 21  o 33.990  0.7515 5.111000       1.503000  
1 1 1 14 11 22  o 14.350  0.7658 -5.115000      1.532000  
1 1 1 14 11 23  o 40.150  0.7954 3.781000       1.591000  
1 1 1 14 11 24  o 38.500  0.6788 -2.419000      1.358000  
1 1 1 14 11 25  o 41.740  0.7159 -1.324000      1.432000  
1 1 1 14 11 26  o 33.920  0.6262 0.7413000E-01  1.252000  
1 1 1 14 11 27  o 58.930  0.9733 -2.255000      1.947000  
1 1 1 14 11 28  o 12.590  1.2950 ?              ?         
1 1 1 14 11 29  o 21.180  0.5260 0.2896000      1.052000  
1 1 1 14 11 30  o 18.640  0.5285 1.092000       1.057000  
1 1 1 14 11 31  o 24.760  0.5436 -0.4459000     1.087000  
1 1 1 14 11 32  o 15.070  0.7132 -1.950000      1.426000  
1 1 1 14 11 33  o 19.620  0.5545 -2.098000      1.109000  
1 1 1 14 11 34  o 32.240  0.6653 -0.9631000     1.331000  
1 1 1 14 11 35  o 24.540  0.7356 -0.2873000     1.471000  
1 1 1 14 11 36  o 18.070  0.7500 1.404000       1.500000  
1 1 1 14 11 37  o 10.340  1.0450 3.110000       2.090000  
1 1 1 14 11 38  f 14.570  0.8206 3.530000       1.641000  
1 1 1 14 11 39  o 20.240  0.7452 -0.4888000     1.490000  
1 1 1 14 11 40  o 15.500  0.8586 -2.482000      1.717000  
1 1 1 14 11 41  o 37.490  0.9572 -0.9701000     1.914000  
1 1 1 14 11 42  o 18.180  0.8172 7.652000       1.634000  
1 1 1 14 11 43  o 17.910  0.8841 -3.844000      1.768000  
1 1 1 14 11 44  o 14.890  0.9468 5.398000       1.894000  
1 1 1 14 11 45  o 21.550  0.8388 -3.498000      1.678000  
1 1 1 14 11 46  o 12.150  1.0730 3.868000       2.145000  
1 1 1 14 11 47  o 7.1690  1.3650 -3.473000      2.731000  
1 1 1 14 11 48  o 11.600  1.1810 0.3368000      2.363000  
1 1 1 14 11 49  o 5.2090  1.4950 0.8666000      2.990000  
1 1 1 14 11 50  o 14.830  1.1210 -1.672000      2.241000  
1 1 1 14 11 51  o 8.7240  1.9710 1.568000       3.942000  
1 1 1 14 11 52  o 10.280  1.9370 -1.808000      3.873000  
1 1 1 14 11 53  o 7.1870  1.9750 -0.9438000E-01 3.950000  
1 1 1 14 11 54  o 6.1760  1.8720 -0.9059000     3.745000  
1 1 1 14 11 55  o 7.5910  1.8570 3.626000       3.713000  
1 1 1 14 11 56  o 20.760  1.2030 -1.982000      2.407000  
1 1 1 14 11 57  o 15.400  1.5620 3.071000       3.125000  
1 1 1 14 11 58  o 6.2970  1.8700 1.813000       3.740000  
1 1 1 14 11 59  o 6.6870  1.9610 -1.300000      3.921000  
1 1 1 14 11 60  o 5.4950  1.7660 -1.886000      3.532000  
1 1 1 14 11 61  f 7.0940  1.9930 0.4352000      3.985000  
1 1 1 14 11 62  o 6.7340  1.9190 2.101000       3.839000  
1 1 1 14 11 63  f 6.2710  1.9260 -1.156000      3.853000  
1 1 1 14 11 64  o 5.0450  1.6850 -0.6458000     3.371000  
1 1 1 14 11 65  f 5.9340  1.8440 0.6006000      3.687000  
1 1 1 14 11 66  o 6.4010  1.9370 -0.3408000     3.875000  
1 1 1 14 11 67  o 6.6570  1.9550 -2.302000      3.909000  
1 1 1 14 11 68  o 4.9200  1.6510 -1.096000      3.303000  
1 1 1 14 11 69  o 5.0780  1.6860 1.263000       3.372000  
1 1 1 14 11 70  f 6.1860  1.9330 -0.6046000     3.866000  
1 1 1 14 11 71  o 7.5110  2.1230 0.4924000      4.246000  
1 1 1 14 11 72  o 5.2110  1.7390 1.266000       3.478000  
1 1 1 14 11 73  o 5.0350  1.6920 1.365000       3.384000  
1 1 1 14 11 74  o 4.1880  1.4590 0.1713000      2.917000  
1 1 1 14 11 75  f 5.0090  1.6700 -0.5536000     3.341000  
1 1 1 14 11 76  o 5.2470  1.7010 2.240000       3.403000  
1 1 1 14 11 77  o 4.4910  1.4900 1.284000       2.980000  
1 1 1 14 11 78  o 5.2460  1.6920 0.5541000      3.385000  
1 1 1 14 11 79  o 3.9620  1.9520 ?              ?         
1 1 1 14 12 0   o 41.700  0.8476 0.000000       0.000000  
1 1 1 14 12 1   o 18.820  0.4377 1.091000       0.8754000 
1 1 1 14 12 2   o 20.550  0.4238 -2.007000      0.8475000 
1 1 1 14 12 3   o 34.350  0.5116 -0.4159000     1.023000  
1 1 1 14 12 4   o 30.300  0.4745 1.518000       0.9490000 
1 1 1 14 12 5   o 36.900  0.5455 0.9161000      1.091000  
1 1 1 14 12 6   o 35.860  0.5348 0.2719000      1.070000  
1 1 1 14 12 7   o 37.320  0.5493 0.4203000      1.099000  
1 1 1 14 12 8   o 17.570  0.5651 1.806000       1.130000  
1 1 1 14 12 9   o 15.480  0.4314 0.5585000      0.8628000 
1 1 1 14 12 10  o 27.050  0.4771 -0.2253000     0.9543000 
1 1 1 14 12 11  o 15.590  0.5048 -1.699000      1.010000  
1 1 1 14 12 12  f 15.400  0.4530 1.762000       0.9060000 
1 1 1 14 12 13  o 16.160  0.4442 0.2455000      0.8884000 
1 1 1 14 12 14  o 8.6180  0.8819 1.782000       1.764000  
1 1 1 14 12 15  o 41.050  0.7800 1.061000       1.560000  
1 1 1 14 12 16  o 27.640  0.6136 -4.813000      1.227000  
1 1 1 14 12 17  o 22.520  0.4483 0.7365000      0.8966000 
1 1 1 14 12 18  o 17.380  0.5249 -4.670000      1.050000  
1 1 1 14 12 19  o 7.7170  0.7384 -0.3443000     1.477000  
1 1 1 14 12 20  o 24.180  0.4707 0.8957000      0.9414000 
1 1 1 14 12 21  o 22.970  0.4719 1.668000       0.9439000 
1 1 1 14 12 22  o 25.690  0.5383 -2.279000      1.077000  
1 1 1 14 12 23  o 41.570  0.7141 -0.2724000     1.428000  
1 1 1 14 12 24  o 26.640  0.7071 -11.25000      1.414000  
1 1 1 14 12 25  o 53.390  1.1010 0.6925000      2.201000  
1 1 1 14 12 26  o 13.690  0.9299 -7.732000      1.860000  
1 1 1 14 12 27  o 40.470  0.7063 -0.6427000     1.413000  
1 1 1 14 12 28  f 11.320  0.9036 -2.405000      1.807000  
1 1 1 14 12 29  o 16.390  0.5599 -1.813000      1.120000  
1 1 1 14 12 30  o 36.140  0.6604 -1.788000      1.321000  
1 1 1 14 12 31  o 15.580  0.7435 -0.2544000     1.487000  
1 1 1 14 12 32  o 14.540  0.6170 -0.9514000     1.234000  
1 1 1 14 12 33  o 4.9300  1.1240 3.072000       2.247000  
1 1 1 14 12 34  o 21.760  0.5721 -0.3340000     1.144000  
1 1 1 14 12 35  o 15.440  0.6116 0.6487000      1.223000  
1 1 1 14 12 36  o 22.770  0.5725 -0.3021000     1.145000  
1 1 1 14 12 37  o 19.170  0.5964 -1.625000      1.193000  
1 1 1 14 12 38  o 37.310  0.8228 1.045000       1.646000  
1 1 1 14 12 39  o 22.780  0.7889 0.6732000      1.578000  
1 1 1 14 12 40  o 36.820  0.9580 0.3421000      1.916000  
1 1 1 14 12 41  f 13.250  0.9988 8.632000       1.998000  
1 1 1 14 12 42  o 13.690  1.0050 -2.728000      2.009000  
1 1 1 14 12 43  o 15.360  0.9137 1.700000       1.827000  
1 1 1 14 12 44  o 4.5410  1.4100 2.924000       2.820000  
1 1 1 14 12 45  o 5.0660  1.4970 1.250000       2.995000  
1 1 1 14 12 46  o 9.1630  1.5180 0.8554000      3.036000  
1 1 1 14 12 47  o 5.9940  1.5870 1.072000       3.175000  
1 1 1 14 12 48  o 12.210  1.3190 -2.706000      2.639000  
1 1 1 14 12 49  o 15.220  1.0570 -1.471000      2.113000  
1 1 1 14 12 50  o 4.9410  1.4800 0.5141000      2.959000  
1 1 1 14 12 51  o 8.5030  1.5490 1.183000       3.098000  
1 1 1 14 12 52  o 5.4040  1.5280 4.090000       3.056000  
1 1 1 14 12 53  o 5.1570  1.5400 1.609000       3.080000  
1 1 1 14 12 54  o 15.770  1.0240 0.6278000      2.047000  
1 1 1 14 12 55  o 6.5160  1.8810 -1.051000      3.763000  
1 1 1 14 12 56  o 16.920  1.3530 0.7750000      2.707000  
1 1 1 14 12 57  o 5.2380  1.6560 1.639000       3.311000  
1 1 1 14 12 58  o 8.0670  1.9700 -4.167000      3.940000  
1 1 1 14 12 59  o 12.350  1.8360 -2.932000      3.673000  
1 1 1 14 12 60  o 6.9750  1.9890 -1.690000      3.979000  
1 1 1 14 12 61  o 6.8540  1.9880 0.2765000      3.977000  
1 1 1 14 12 62  o 6.1340  1.8720 0.8925000      3.744000  
1 1 1 14 12 63  o 5.2350  1.7190 -2.478000      3.438000  
1 1 1 14 12 64  f 5.6770  1.7900 -0.4044000     3.579000  
1 1 1 14 12 65  f 6.6270  1.9220 -0.8445000     3.843000  
1 1 1 14 12 66  o 5.8880  1.7730 2.349000       3.546000  
1 1 1 14 12 67  o 5.5790  1.7750 0.9089000      3.549000  
1 1 1 14 12 68  o 4.1560  1.4480 0.4660000      2.897000  
1 1 1 14 12 69  o 6.2540  1.8430 3.640000       3.686000  
1 1 1 14 12 70  f 6.1370  1.9240 -0.3799000E-01 3.848000  
1 1 1 14 12 71  o 7.7130  2.0750 2.785000       4.150000  
1 1 1 14 12 72  o 5.4840  1.7720 -0.6565000     3.544000  
1 1 1 14 12 73  o 4.7400  1.6110 0.4228000      3.222000  
1 1 1 14 12 74  f 6.1660  1.8950 -0.6879000     3.790000  
1 1 1 14 12 75  o 3.5680  1.2630 0.2144000      2.525000  
1 1 1 14 12 76  o 5.9840  1.7310 1.045000       3.463000  
1 1 1 14 12 77  o 3.5140  1.2540 -0.1753000     2.508000  
1 1 1 14 12 78  o 3.3100  1.6770 ?              ?         
1 1 1 14 13 0   o 33.860  0.7246 0.000000       0.000000  
1 1 1 14 13 1   o 28.400  0.4580 -0.5005000E-01 0.9160000 
1 1 1 14 13 2   o 24.520  0.4196 1.568000       0.8391000 
1 1 1 14 13 3   o 10.670  0.6556 5.225000       1.311000  
1 1 1 14 13 4   f 12.780  0.4835 -1.389000      0.9670000 
1 1 1 14 13 5   f 17.950  0.4000 -0.6085000     0.8000000 
1 1 1 14 13 6   o 16.510  0.4511 0.8810000      0.9022000 
1 1 1 14 13 7   o 16.340  0.4421 -0.3027000     0.8842000 
1 1 1 14 13 8   o 30.120  0.5203 -0.9341000     1.041000  
1 1 1 14 13 9   o 19.780  0.5487 8.581000       1.097000  
1 1 1 14 13 10  o 33.920  0.5171 0.4961000      1.034000  
1 1 1 14 13 11  f 22.050  0.5365 1.093000       1.073000  
1 1 1 14 13 12  o 19.500  0.4477 0.2305000      0.8953000 
1 1 1 14 13 13  o 17.640  0.4574 0.4401000      0.9147000 
1 1 1 14 13 14  o 24.350  0.4700 0.6158000      0.9400000 
1 1 1 14 13 15  o 34.820  0.6183 3.492000       1.237000  
1 1 1 14 13 16  o 19.660  0.5766 -2.899000      1.153000  
1 1 1 14 13 17  o 20.430  0.4611 3.189000       0.9223000 
1 1 1 14 13 18  o 13.690  0.6382 -0.2787000     1.276000  
1 1 1 14 13 19  o 17.300  0.4640 -2.433000      0.9280000 
1 1 1 14 13 20  o 30.050  0.5271 -0.4592000E-01 1.054000  
1 1 1 14 13 21  f 42.130  0.6695 0.6618000      1.339000  
1 1 1 14 13 22  o 11.490  0.8603 ?              ?         
1 1 1 14 13 23  o 12.590  0.5408 -0.2208000     1.082000  
1 1 1 14 13 24  o 6.8490  1.0240 1.119000       2.048000  
1 1 1 14 13 25  o 13.740  0.5924 -0.3442000     1.185000  
1 1 1 14 13 26  o 20.190  0.5288 -0.4507000     1.058000  
1 1 1 14 13 27  o 11.100  0.6921 -0.5237000     1.384000  
1 1 1 14 13 28  o 16.190  0.5584 1.111000       1.117000  
1 1 1 14 13 29  o 22.580  0.5543 0.2222000      1.109000  
1 1 1 14 13 30  o 15.420  0.5981 -2.794000      1.196000  
1 1 1 14 13 31  o 25.640  0.5735 0.5389000      1.147000  
1 1 1 14 13 32  o 6.9530  1.3440 -1.264000      2.687000  
1 1 1 14 13 33  o 10.790  0.7709 -1.263000      1.542000  
1 1 1 14 13 34  o 20.980  0.5858 -1.413000      1.172000  
1 1 1 14 13 35  o 10.060  0.8547 -0.3796000     1.709000  
1 1 1 14 13 36  o 8.9910  0.9581 -0.3836000     1.916000  
1 1 1 14 13 37  o 21.060  0.6038 0.2015000      1.208000  
1 1 1 14 13 38  o 14.520  0.6783 -0.3426000     1.357000  
1 1 1 14 13 39  o 16.670  0.6604 -0.4501000     1.321000  
1 1 1 14 13 40  o 13.390  0.7457 1.257000       1.491000  
1 1 1 14 13 41  o 5.3430  1.2410 2.505000       2.481000  
1 1 1 14 13 42  o 9.4870  1.3600 1.503000       2.721000  
1 1 1 14 13 43  o 6.8820  1.4450 -2.225000      2.890000  
1 1 1 14 13 44  o 9.9850  1.3570 1.559000       2.713000  
1 1 1 14 13 45  o 10.870  1.4400 -1.679000      2.879000  
1 1 1 14 13 46  o 19.880  0.9445 2.534000       1.889000  
1 1 1 14 13 47  o 5.2150  1.5480 1.021000       3.096000  
1 1 1 14 13 48  o 10.030  1.4380 0.1927000      2.875000  
1 1 1 14 13 49  o 6.0730  1.5250 4.415000       3.050000  
1 1 1 14 13 50  o 4.8400  1.4000 -0.5017000     2.799000  
1 1 1 14 13 51  o 10.970  1.3400 -4.039000      2.679000  
1 1 1 14 13 52  o 17.430  0.9203 2.080000       1.841000  
1 1 1 14 13 53  o 6.6640  1.4830 5.689000       2.966000  
1 1 1 14 13 54  o 4.8020  1.4680 2.121000       2.935000  
1 1 1 14 13 55  f 10.520  1.4440 -5.405000      2.888000  
1 1 1 14 13 56  o 9.2210  1.5720 2.227000       3.145000  
1 1 1 14 13 57  o 4.7660  1.4960 1.583000       2.993000  
1 1 1 14 13 58  o 5.6260  1.5870 0.8535000      3.174000  
1 1 1 14 13 59  o 8.8480  1.9070 3.791000       3.813000  
1 1 1 14 13 60  o 5.3200  1.7310 -1.697000      3.462000  
1 1 1 14 13 61  o 4.9680  1.6300 0.3520000      3.261000  
1 1 1 14 13 62  o 5.5180  1.7380 -1.912000      3.477000  
1 1 1 14 13 63  o 5.9980  1.8100 -1.519000      3.620000  
1 1 1 14 13 64  o 5.9170  1.8150 1.399000       3.630000  
1 1 1 14 13 65  o 5.6770  1.7900 0.8563000      3.580000  
1 1 1 14 13 66  o 5.8240  1.8440 0.2659000      3.687000  
1 1 1 14 13 67  f 4.8660  1.6480 -0.7487000     3.296000  
1 1 1 14 13 68  o 6.6750  1.9390 2.085000       3.878000  
1 1 1 14 13 69  o 6.6990  2.0120 0.4925000      4.024000  
1 1 1 14 13 70  o 4.2620  1.4810 -0.4579000     2.962000  
1 1 1 14 13 71  o 4.5910  1.5640 0.8388000      3.128000  
1 1 1 14 13 72  o 3.9680  1.3940 -0.2355000     2.789000  
1 1 1 14 13 73  o 7.1130  1.9690 0.6329000      3.938000  
1 1 1 14 13 74  o 5.4620  1.6780 2.860000       3.357000  
1 1 1 14 13 75  o 4.2050  1.4220 0.8014000      2.843000  
1 1 1 14 13 76  o 4.6450  2.2160 ?              ?         
1 1 1 14 14 0   o 4.0880  1.7060 -0.000000      0.000000  
1 1 1 14 14 1   o 13.010  0.4485 0.5723000      0.8971000 
1 1 1 14 14 2   o 9.9030  0.5356 -0.2835000     1.071000  
1 1 1 14 14 3   o 8.9310  0.9249 -3.943000      1.850000  
1 1 1 14 14 4   o 33.810  0.5137 0.1319000      1.027000  
1 1 1 14 14 5   f 17.310  0.4601 1.853000       0.9203000 
1 1 1 14 14 6   o 22.160  0.4862 -0.9698000     0.9724000 
1 1 1 14 14 7   o 29.900  0.4748 -0.8782000     0.9497000 
1 1 1 14 14 8   o 19.160  0.5221 3.881000       1.044000  
1 1 1 14 14 9   o 12.780  0.4737 -1.384000      0.9475000 
1 1 1 14 14 10  o 27.010  0.4567 0.4816000      0.9134000 
1 1 1 14 14 11  o 35.340  0.5849 0.4593000      1.170000  
1 1 1 14 14 12  o 18.600  0.6050 -0.3764000     1.210000  
1 1 1 14 14 13  o 11.100  0.5909 -0.1274000     1.182000  
1 1 1 14 14 14  o 18.130  0.4709 0.4399000      0.9418000 
1 1 1 14 14 15  o 20.460  0.4631 0.7769000E-01  0.9261000 
1 1 1 14 14 16  o 22.250  0.4797 -1.889000      0.9593000 
1 1 1 14 14 17  o 25.790  0.4954 2.407000       0.9908000 
1 1 1 14 14 18  o 21.460  0.5260 -2.961000      1.052000  
1 1 1 14 14 19  o 22.920  0.4792 0.7320000      0.9585000 
1 1 1 14 14 20  o 9.9450  0.8490 2.426000       1.698000  
1 1 1 14 14 21  o 19.130  0.4827 1.039000       0.9654000 
1 1 1 14 14 22  o 21.180  0.4841 -0.7361000     0.9683000 
1 1 1 14 14 23  o 19.860  0.4838 -2.952000      0.9675000 
1 1 1 14 14 24  o 17.080  0.5017 -1.211000      1.003000  
1 1 1 14 14 25  o 22.360  0.5372 -0.4463000     1.074000  
1 1 1 14 14 26  o 16.560  0.5805 -0.2928000     1.161000  
1 1 1 14 14 27  f 16.220  0.5700 -0.8746000     1.140000  
1 1 1 14 14 28  o 13.600  0.6388 -1.773000      1.278000  
1 1 1 14 14 29  o 22.210  0.5587 0.3741000      1.117000  
1 1 1 14 14 30  o 26.370  0.5825 -1.808000      1.165000  
1 1 1 14 14 31  o 5.4960  1.1730 3.023000       2.347000  
1 1 1 14 14 32  o 31.810  0.6311 -1.630000      1.262000  
1 1 1 14 14 33  o 8.6330  1.2070 -4.280000      2.415000  
1 1 1 14 14 34  o 5.1000  1.2550 0.8181000      2.509000  
1 1 1 14 14 35  o 13.250  0.7162 0.4816000      1.432000  
1 1 1 14 14 36  o 4.9020  1.2780 0.8296000      2.556000  
1 1 1 14 14 37  o 13.990  0.7293 -1.394000      1.459000  
1 1 1 14 14 38  o 6.3800  1.2680 1.845000       2.537000  
1 1 1 14 14 39  o 9.1450  1.0300 -0.2043000     2.060000  
1 1 1 14 14 40  o 7.4620  1.2140 -2.901000      2.428000  
1 1 1 14 14 41  o 11.350  0.8874 -0.2502000     1.775000  
1 1 1 14 14 42  o 12.360  0.8206 0.6199000      1.641000  
1 1 1 14 14 43  o 5.3080  1.3770 0.3532000      2.754000  
1 1 1 14 14 44  o 28.790  0.6658 -0.1119000     1.332000  
1 1 1 14 14 45  o 7.7720  1.2920 -3.062000      2.584000  
1 1 1 14 14 46  f 5.0540  1.4690 0.4190000      2.939000  
1 1 1 14 14 47  o 11.910  1.2820 -4.480000      2.564000  
1 1 1 14 14 48  o 12.100  1.1340 2.054000       2.268000  
1 1 1 14 14 49  o 11.470  1.2450 -1.232000      2.490000  
1 1 1 14 14 50  o 15.400  1.0260 1.046000       2.052000  
1 1 1 14 14 51  o 3.7750  1.2670 1.431000       2.534000  
1 1 1 14 14 52  o 4.4870  1.3880 1.646000       2.775000  
1 1 1 14 14 53  o 3.9870  1.2840 -0.2430000     2.568000  
1 1 1 14 14 54  o 9.5790  1.4110 2.072000       2.821000  
1 1 1 14 14 55  o 8.3730  1.6220 0.5890000      3.244000  
1 1 1 14 14 56  o 7.7640  1.5810 -1.145000      3.163000  
1 1 1 14 14 57  o 13.000  1.2310 0.6767000      2.462000  
1 1 1 14 14 58  o 5.7890  1.6100 0.1496000      3.220000  
1 1 1 14 14 59  o 4.7810  1.4990 2.761000       2.998000  
1 1 1 14 14 60  o 4.2910  1.4040 2.521000       2.807000  
1 1 1 14 14 61  o 4.5980  1.4450 0.4311000      2.890000  
1 1 1 14 14 62  o 4.8100  1.4240 -1.330000      2.848000  
1 1 1 14 14 63  o 4.8140  1.4990 0.4166000      2.998000  
1 1 1 14 14 64  o 5.4160  1.7140 1.320000       3.428000  
1 1 1 14 14 65  o 5.8180  1.8350 -0.7184000     3.670000  
1 1 1 14 14 66  f 5.7440  1.8290 -0.9847000     3.659000  
1 1 1 14 14 67  o 6.5010  1.8810 2.990000       3.762000  
1 1 1 14 14 68  f 4.4670  1.5330 -0.5669000     3.065000  
1 1 1 14 14 69  o 4.7130  1.5910 1.250000       3.183000  
1 1 1 14 14 70  o 5.6580  1.7930 -1.080000      3.586000  
1 1 1 14 14 71  o 4.9480  1.6210 0.8878000      3.242000  
1 1 1 14 14 72  o 3.8480  1.3330 0.5645000E-01  2.666000  
1 1 1 14 14 73  o 4.5850  1.5100 0.3541000      3.021000  
1 1 1 14 14 74  o 4.0020  1.9670 ?              ?         
1 1 1 14 15 0   f 40.120  0.8337 0.000000       0.000000  
1 1 1 14 15 1   o 21.770  0.5065 2.706000       1.013000  
1 1 1 14 15 2   o 25.800  0.4451 0.2203000      0.8903000 
1 1 1 14 15 3   o 21.930  0.4652 -0.5735000     0.9303000 
1 1 1 14 15 4   o 27.900  0.4632 0.1156000E-01  0.9264000 
1 1 1 14 15 5   o 20.190  0.4646 1.089000       0.9291000 
1 1 1 14 15 6   f 16.090  0.4869 -3.399000      0.9739000 
1 1 1 14 15 7   o 26.730  0.5031 -0.2556000     1.006000  
1 1 1 14 15 8   o 33.670  0.5239 1.985000       1.048000  
1 1 1 14 15 9   o 20.620  0.5113 1.470000       1.023000  
1 1 1 14 15 10  o 17.930  0.4773 0.6163000      0.9547000 
1 1 1 14 15 11  o 17.730  0.6504 6.873000       1.301000  
1 1 1 14 15 12  f 39.230  0.5856 0.1962000      1.171000  
1 1 1 14 15 13  o 17.720  0.6100 5.506000       1.220000  
1 1 1 14 15 14  o 12.950  0.5524 -1.839000      1.105000  
1 1 1 14 15 15  o 23.160  0.4784 1.258000       0.9568000 
1 1 1 14 15 16  o 10.490  0.8332 -2.120000      1.666000  
1 1 1 14 15 17  o 9.2440  0.7264 -0.3379000     1.453000  
1 1 1 14 15 18  o 19.280  0.4801 0.8937000      0.9602000 
1 1 1 14 15 19  f 22.150  0.4882 3.170000       0.9764000 
1 1 1 14 15 20  o 7.1500  1.0950 -0.1305000     2.189000  
1 1 1 14 15 21  o 10.660  0.7083 1.278000       1.417000  
1 1 1 14 15 22  f 28.260  0.6062 -0.5849000     1.212000  
1 1 1 14 15 23  o 20.990  0.5099 0.1808000      1.020000  
1 1 1 14 15 24  o 11.920  0.6463 1.173000       1.293000  
1 1 1 14 15 25  o 27.350  0.5376 0.8905000      1.075000  
1 1 1 14 15 26  o 18.960  0.5265 0.4320000      1.053000  
1 1 1 14 15 27  o 6.6830  1.1790 -3.995000      2.357000  
1 1 1 14 15 28  o 7.1890  1.1430 2.113000       2.287000  
1 1 1 14 15 29  o 35.610  0.7566 -0.4627000     1.513000  
1 1 1 14 15 30  o 20.910  0.6605 3.451000       1.321000  
1 1 1 14 15 31  o 15.380  0.6458 -0.9845000     1.292000  
1 1 1 14 15 32  o 18.950  0.6101 -1.127000      1.220000  
1 1 1 14 15 33  f 18.040  0.6194 0.2079000      1.239000  
1 1 1 14 15 34  f 16.360  0.6506 -1.430000      1.301000  
1 1 1 14 15 35  o 17.230  0.6507 -1.704000      1.301000  
1 1 1 14 15 36  o 11.520  0.8068 1.102000       1.614000  
1 1 1 14 15 37  o 7.1360  1.2050 1.781000       2.410000  
1 1 1 14 15 38  o 12.280  0.7735 0.8151000      1.547000  
1 1 1 14 15 39  o 8.0880  1.1450 -3.126000      2.290000  
1 1 1 14 15 40  o 11.890  0.7951 -0.1657000     1.590000  
1 1 1 14 15 41  o 5.1190  1.2310 -2.525000      2.462000  
1 1 1 14 15 42  o 13.810  0.7401 -1.307000      1.480000  
1 1 1 14 15 43  o 10.130  0.9636 -0.6051000E-01 1.927000  
1 1 1 14 15 44  o 4.8710  1.3130 1.010000       2.627000  
1 1 1 14 15 45  o 21.880  0.6558 -1.172000      1.312000  
1 1 1 14 15 46  o 15.290  0.7386 2.202000       1.477000  
1 1 1 14 15 47  o 6.8940  1.3100 1.586000       2.620000  
1 1 1 14 15 48  o 9.1240  1.1030 -0.8571000     2.205000  
1 1 1 14 15 49  o 7.8300  1.3040 0.2282000      2.608000  
1 1 1 14 15 50  o 8.5710  1.4140 -0.4466000     2.829000  
1 1 1 14 15 51  o 13.510  1.0630 -1.173000      2.126000  
1 1 1 14 15 52  o 4.3070  1.3740 1.173000       2.748000  
1 1 1 14 15 53  o 7.2610  1.4490 -3.303000      2.898000  
1 1 1 14 15 54  o 10.590  1.2760 0.5058000      2.551000  
1 1 1 14 15 55  o 4.2650  1.3590 1.358000       2.718000  
1 1 1 14 15 56  o 5.6070  1.5300 0.7017000      3.060000  
1 1 1 14 15 57  o 4.1560  1.3480 2.174000       2.697000  
1 1 1 14 15 58  o 4.9960  1.4750 -0.3695000     2.950000  
1 1 1 14 15 59  o 7.4760  1.5620 -2.353000      3.124000  
1 1 1 14 15 60  o 5.5860  1.5900 1.667000       3.180000  
1 1 1 14 15 61  o 3.8390  1.2930 0.3552000      2.587000  
1 1 1 14 15 62  o 5.1980  1.5970 1.949000       3.193000  
1 1 1 14 15 63  f 7.6400  1.7000 -0.4435000     3.400000  
1 1 1 14 15 64  o 12.290  1.3700 0.9737000      2.740000  
1 1 1 14 15 65  o 5.6710  1.6250 0.6839000      3.250000  
1 1 1 14 15 66  o 5.4790  1.5810 0.1659000E-03  3.162000  
1 1 1 14 15 67  f 4.4430  1.4230 0.3734000      2.847000  
1 1 1 14 15 68  o 4.5040  1.5360 0.2843000      3.071000  
1 1 1 14 15 69  o 4.5340  1.5290 -0.8575000     3.058000  
1 1 1 14 15 70  o 4.1190  1.4050 0.4223000      2.809000  
1 1 1 14 15 71  f 3.8670  1.3230 -0.9294000E-01 2.646000  
1 1 1 14 15 72  o 3.8950  1.9170 ?              ?         
1 1 1 14 16 0   o 16.240  0.7549 0.000000       0.000000  
1 1 1 14 16 1   o 22.110  0.5137 -3.962000      1.027000  
1 1 1 14 16 2   o 33.120  0.5147 0.6301000      1.029000  
1 1 1 14 16 3   o 22.180  0.6355 -5.925000      1.271000  
1 1 1 14 16 4   o 33.080  0.5142 0.5487000      1.028000  
1 1 1 14 16 5   o 18.680  0.6056 2.518000       1.211000  
1 1 1 14 16 6   o 12.600  0.5600 1.210000       1.120000  
1 1 1 14 16 7   o 13.900  0.5299 -1.276000      1.060000  
1 1 1 14 16 8   o 26.000  0.4551 1.916000       0.9103000 
1 1 1 14 16 9   o 16.860  0.4977 1.560000       0.9955000 
1 1 1 14 16 10  f 21.050  0.4835 0.4802000      0.9669000 
1 1 1 14 16 11  f 17.980  0.5320 4.046000       1.064000  
1 1 1 14 16 12  o 18.320  0.4353 -0.5951000E-01 0.8706000 
1 1 1 14 16 13  o 12.450  0.5286 0.5849000E-01  1.057000  
1 1 1 14 16 14  o 26.390  0.4650 0.5186000E-01  0.9300000 
1 1 1 14 16 15  o 18.880  0.5332 -0.4422000     1.066000  
1 1 1 14 16 16  o 8.2630  0.8211 -1.407000      1.642000  
1 1 1 14 16 17  o 21.510  0.4857 0.8066000E-01  0.9714000 
1 1 1 14 16 18  o 19.720  0.4862 0.4121000      0.9724000 
1 1 1 14 16 19  o 13.840  0.5643 0.6313000      1.129000  
1 1 1 14 16 20  o 5.2360  1.1420 -1.725000      2.284000  
1 1 1 14 16 21  o 10.880  0.6869 0.2593000      1.374000  
1 1 1 14 16 22  o 19.350  0.5109 -0.2260000     1.022000  
1 1 1 14 16 23  o 15.660  0.6616 3.601000       1.323000  
1 1 1 14 16 24  o 29.300  0.5496 0.6283000      1.099000  
1 1 1 14 16 25  o 13.260  0.7411 3.977000       1.482000  
1 1 1 14 16 26  o 22.240  0.5222 -0.3830000     1.044000  
1 1 1 14 16 27  o 15.820  0.5512 0.4644000      1.102000  
1 1 1 14 16 28  o 11.460  0.7518 1.669000       1.504000  
1 1 1 14 16 29  o 15.450  0.6335 0.2357000      1.267000  
1 1 1 14 16 30  o 9.5940  0.9351 -3.005000      1.870000  
1 1 1 14 16 31  o 17.810  0.6288 -2.794000      1.258000  
1 1 1 14 16 32  o 12.830  0.7419 1.648000       1.484000  
1 1 1 14 16 33  o 23.810  0.6079 -1.055000      1.216000  
1 1 1 14 16 34  f 21.350  0.5985 -0.9275000E-02 1.197000  
1 1 1 14 16 35  o 15.250  0.6715 1.491000       1.343000  
1 1 1 14 16 36  o 11.220  0.8409 -2.624000      1.682000  
1 1 1 14 16 37  o 17.660  0.6371 1.101000       1.274000  
1 1 1 14 16 38  o 17.920  0.6587 -0.6554000     1.317000  
1 1 1 14 16 39  o 10.980  0.8812 -0.6238000     1.762000  
1 1 1 14 16 40  o 15.330  0.7039 1.665000       1.408000  
1 1 1 14 16 41  o 19.050  0.6572 -1.162000      1.314000  
1 1 1 14 16 42  o 11.990  0.8322 0.7303000      1.664000  
1 1 1 14 16 43  o 11.330  0.8883 1.731000       1.777000  
1 1 1 14 16 44  o 19.350  0.6714 0.2857000      1.343000  
1 1 1 14 16 45  o 6.6400  1.3180 -1.775000      2.636000  
1 1 1 14 16 46  o 8.8540  1.1340 1.730000       2.268000  
1 1 1 14 16 47  o 7.8170  1.3060 0.1583000      2.613000  
1 1 1 14 16 48  o 5.4290  1.3010 2.751000       2.601000  
1 1 1 14 16 49  o 7.4430  1.2940 -0.8477000     2.589000  
1 1 1 14 16 50  o 5.8780  1.3580 -2.111000      2.716000  
1 1 1 14 16 51  o 4.0210  1.2580 -0.1827000     2.517000  
1 1 1 14 16 52  o 5.2080  1.3900 -0.7199000     2.781000  
1 1 1 14 16 53  o 7.5360  1.2970 1.890000       2.593000  
1 1 1 14 16 54  o 9.1270  1.4310 0.4088000      2.863000  
1 1 1 14 16 55  o 5.8720  1.5350 3.180000       3.071000  
1 1 1 14 16 56  o 5.2260  1.4680 -0.5841000     2.935000  
1 1 1 14 16 57  o 5.7340  1.4310 -2.160000      2.861000  
1 1 1 14 16 58  o 3.9360  1.2650 -0.6660000     2.530000  
1 1 1 14 16 59  o 4.8310  1.4550 0.3713000      2.909000  
1 1 1 14 16 60  o 4.9200  1.4820 0.2833000      2.964000  
1 1 1 14 16 61  o 4.0050  1.3370 1.316000       2.674000  
1 1 1 14 16 62  o 4.4970  1.4180 -0.2378000     2.837000  
1 1 1 14 16 63  o 4.9160  1.5370 1.819000       3.073000  
1 1 1 14 16 64  f 4.0810  1.3550 0.6603000      2.710000  
1 1 1 14 16 65  o 4.5800  1.4810 1.246000       2.962000  
1 1 1 14 16 66  o 5.8650  1.5250 -1.825000      3.050000  
1 1 1 14 16 67  o 4.6870  1.4250 -0.9278000     2.851000  
1 1 1 14 16 68  o 3.7900  1.2750 0.2021000      2.550000  
1 1 1 14 16 69  o 3.0630  1.0780 0.2465000      2.156000  
1 1 1 14 16 70  o 5.2180  2.3350 ?              ?         
1 1 1 14 17 0   o 11.040  0.9498 0.000000       0.000000  
1 1 1 14 17 1   o 23.340  0.4408 -0.6807000     0.8816000 
1 1 1 14 17 2   o 25.860  0.4954 0.5067000      0.9908000 
1 1 1 14 17 3   o 14.270  0.5172 0.5799000      1.034000  
1 1 1 14 17 4   o 8.6190  0.6843 -0.5275000     1.369000  
1 1 1 14 17 5   o 8.5800  0.7846 -1.506000      1.569000  
1 1 1 14 17 6   o 21.460  0.4779 1.464000       0.9558000 
1 1 1 14 17 7   o 26.130  0.4598 -1.364000      0.9196000 
1 1 1 14 17 8   o 15.310  0.6842 -2.015000      1.368000  
1 1 1 14 17 9   o 28.420  0.5205 -1.540000      1.041000  
1 1 1 14 17 10  o 20.830  0.4733 -2.251000      0.9466000 
1 1 1 14 17 11  o 14.470  0.5372 -0.2369000     1.074000  
1 1 1 14 17 12  o 16.460  0.4596 -0.4691000     0.9192000 
1 1 1 14 17 13  o 10.930  0.5882 1.812000       1.176000  
1 1 1 14 17 14  o 7.7070  0.7969 -0.4561000     1.594000  
1 1 1 14 17 15  o 11.940  0.5496 0.2299000      1.099000  
1 1 1 14 17 16  o 11.360  0.6411 -3.358000      1.282000  
1 1 1 14 17 17  o 7.1550  0.8957 2.015000       1.791000  
1 1 1 14 17 18  o 24.960  0.5793 -1.493000      1.159000  
1 1 1 14 17 19  o 17.810  0.5093 0.1226000      1.019000  
1 1 1 14 17 20  o 21.880  0.5007 -0.4701000     1.001000  
1 1 1 14 17 21  o 16.690  0.6668 4.852000       1.334000  
1 1 1 14 17 22  f 27.570  0.5392 -1.378000      1.078000  
1 1 1 14 17 23  o 16.870  0.6504 2.021000       1.301000  
1 1 1 14 17 24  o 14.900  0.5710 -0.8557000     1.142000  
1 1 1 14 17 25  o 10.270  0.7419 -1.116000      1.484000  
1 1 1 14 17 26  f 19.440  0.5330 -0.4560000E-01 1.066000  
1 1 1 14 17 27  o 6.3510  1.1390 -1.252000      2.278000  
1 1 1 14 17 28  o 12.990  0.6520 -4.908000      1.304000  
1 1 1 14 17 29  o 24.060  0.5907 -0.6506000     1.181000  
1 1 1 14 17 30  o 12.410  0.8307 1.145000       1.661000  
1 1 1 14 17 31  o 16.370  0.6238 -1.628000      1.248000  
1 1 1 14 17 32  o 11.360  0.8282 -1.647000      1.656000  
1 1 1 14 17 33  o 13.300  0.7285 -0.3621000     1.457000  
1 1 1 14 17 34  o 13.710  0.7226 -1.110000      1.445000  
1 1 1 14 17 35  f 25.030  0.6088 0.8727000      1.218000  
1 1 1 14 17 36  o 20.920  0.6177 1.260000       1.235000  
1 1 1 14 17 37  o 7.2010  1.2220 2.334000       2.445000  
1 1 1 14 17 38  o 11.240  0.8210 0.1315000      1.642000  
1 1 1 14 17 39  o 3.8300  1.1790 -0.2155000     2.358000  
1 1 1 14 17 40  o 14.400  0.7004 0.7465000      1.401000  
1 1 1 14 17 41  o 7.4040  1.1790 3.800000       2.357000  
1 1 1 14 17 42  o 12.350  0.8266 -0.2270000     1.653000  
1 1 1 14 17 43  o 14.210  0.7470 -1.164000      1.494000  
1 1 1 14 17 44  o 7.2810  1.2990 -0.8638000     2.599000  
1 1 1 14 17 45  o 4.1700  1.2530 0.3074000      2.507000  
1 1 1 14 17 46  o 3.9960  1.2260 0.7929000      2.452000  
1 1 1 14 17 47  o 4.2220  1.2650 -1.064000      2.530000  
1 1 1 14 17 48  f 10.040  1.0620 1.261000       2.124000  
1 1 1 14 17 49  o 4.6490  1.3420 -0.5396000     2.683000  
1 1 1 14 17 50  o 6.5940  1.4000 0.4780000      2.800000  
1 1 1 14 17 51  o 7.1850  1.3440 -0.3634000     2.688000  
1 1 1 14 17 52  o 4.4700  1.3190 0.6488000      2.639000  
1 1 1 14 17 53  o 9.8150  1.0660 0.2848000      2.133000  
1 1 1 14 17 54  o 4.1160  1.2720 -0.1652000     2.544000  
1 1 1 14 17 55  o 4.0040  1.2180 -1.866000      2.436000  
1 1 1 14 17 56  o 6.8960  1.4160 1.095000       2.832000  
1 1 1 14 17 57  o 3.9090  1.2440 -1.208000      2.488000  
1 1 1 14 17 58  o 5.7230  1.4280 -1.099000      2.857000  
1 1 1 14 17 59  o 3.6580  1.2410 1.197000       2.482000  
1 1 1 14 17 60  o 6.5070  1.5850 1.235000       3.170000  
1 1 1 14 17 61  f 4.7000  1.4200 -0.4221000     2.840000  
1 1 1 14 17 62  o 3.8840  1.2850 0.3202000      2.569000  
1 1 1 14 17 63  o 4.8570  1.4340 0.3309000      2.868000  
1 1 1 14 17 64  o 3.1480  1.0980 0.6070000      2.196000  
1 1 1 14 17 65  o 3.8650  1.3160 1.724000       2.633000  
1 1 1 14 17 66  o 4.2100  1.3730 0.6829000      2.746000  
1 1 1 14 17 67  o 4.0510  1.3000 -0.5522000     2.601000  
1 1 1 14 18 0   f 20.560  0.6194 -0.000000      0.000000  
1 1 1 14 18 1   o 16.130  0.5461 -2.969000      1.092000  
1 1 1 14 18 2   o 11.570  0.5501 1.325000       1.100000  
1 1 1 14 18 3   o 14.190  0.4820 -0.6854000     0.9639000 
1 1 1 14 18 4   o 15.550  0.4680 -0.2795000     0.9361000 
1 1 1 14 18 5   o 10.990  0.6439 2.402000       1.288000  
1 1 1 14 18 6   f 7.6070  0.9438 -5.209000      1.888000  
1 1 1 14 18 7   o 22.150  0.4826 -1.255000      0.9653000 
1 1 1 14 18 8   o 23.310  0.5300 -0.9054000E-01 1.060000  
1 1 1 14 18 9   o 26.180  0.4645 -0.5105000     0.9290000 
1 1 1 14 18 10  f 20.280  0.4917 1.665000       0.9834000 
1 1 1 14 18 11  o 24.070  0.4571 1.119000       0.9143000 
1 1 1 14 18 12  o 10.780  0.7672 2.085000       1.534000  
1 1 1 14 18 13  o 13.700  0.7162 -9.164000      1.432000  
1 1 1 14 18 14  o 35.990  0.5905 -0.1194000     1.181000  
1 1 1 14 18 15  o 25.300  0.6062 6.913000       1.212000  
1 1 1 14 18 16  o 27.690  0.5286 -1.060000      1.057000  
1 1 1 14 18 17  o 16.560  0.6332 7.637000       1.266000  
1 1 1 14 18 18  o 23.050  0.4595 -0.4550000     0.9190000 
1 1 1 14 18 19  o 12.330  0.7803 0.2816000E-01  1.561000  
1 1 1 14 18 20  o 7.8770  0.9247 -2.698000      1.849000  
1 1 1 14 18 21  o 13.090  0.6053 -0.4615000     1.211000  
1 1 1 14 18 22  o 6.1760  1.1310 -1.075000      2.261000  
1 1 1 14 18 23  f 10.350  0.7279 -0.4807000     1.456000  
1 1 1 14 18 24  o 14.880  0.5725 1.100000       1.145000  
1 1 1 14 18 25  o 13.170  0.6150 -1.575000      1.230000  
1 1 1 14 18 26  o 10.290  0.7522 0.3845000      1.504000  
1 1 1 14 18 27  o 13.320  0.6341 2.428000       1.268000  
1 1 1 14 18 28  f 18.420  0.5593 1.723000       1.119000  
1 1 1 14 18 29  o 21.680  0.5399 -2.540000      1.080000  
1 1 1 14 18 30  o 13.550  0.6346 1.906000       1.269000  
1 1 1 14 18 31  o 21.990  0.5932 0.4551000      1.186000  
1 1 1 14 18 32  o 12.270  1.0890 -5.148000      2.178000  
1 1 1 14 18 33  o 11.690  0.8131 0.3903000      1.626000  
1 1 1 14 18 34  o 6.9110  1.2300 1.796000       2.459000  
1 1 1 14 18 35  o 5.1930  1.2960 -0.9411000     2.592000  
1 1 1 14 18 36  o 4.5770  1.2720 -0.6493000     2.544000  
1 1 1 14 18 37  o 10.840  0.8986 -0.6215000     1.797000  
1 1 1 14 18 38  o 6.4930  1.3290 -1.039000      2.657000  
1 1 1 14 18 39  o 4.8480  1.2600 -2.460000      2.519000  
1 1 1 14 18 40  o 9.0160  1.0880 1.341000       2.176000  
1 1 1 14 18 41  o 4.3310  1.2620 1.021000       2.524000  
1 1 1 14 18 42  o 10.070  1.0070 -2.324000      2.015000  
1 1 1 14 18 43  o 6.9440  1.2520 2.921000       2.504000  
1 1 1 14 18 44  o 4.6090  1.3060 -0.8030000     2.613000  
1 1 1 14 18 45  o 10.530  0.9981 -1.481000      1.996000  
1 1 1 14 18 46  o 7.7850  1.2600 1.884000       2.520000  
1 1 1 14 18 47  o 4.5140  1.3160 0.9037000E-01  2.632000  
1 1 1 14 18 48  o 3.3920  1.1240 -0.6058000E-01 2.248000  
1 1 1 14 18 49  o 7.1550  1.3590 1.028000       2.719000  
1 1 1 14 18 50  o 4.2680  1.2870 -0.7448000     2.574000  
1 1 1 14 18 51  o 3.6410  1.1700 -0.7190000     2.340000  
1 1 1 14 18 52  o 4.6770  1.3510 1.029000       2.702000  
1 1 1 14 18 53  o 4.8900  1.3290 -1.990000      2.658000  
1 1 1 14 18 54  o 11.120  1.0210 0.8232000      2.042000  
1 1 1 14 18 55  o 6.3970  1.4200 0.4878000      2.840000  
1 1 1 14 18 56  o 8.5810  1.2270 0.2156000      2.454000  
1 1 1 14 18 57  o 3.9130  1.2400 0.3763000      2.480000  
1 1 1 14 18 58  o 5.4380  1.4130 0.9424000      2.827000  
1 1 1 14 18 59  o 4.8420  1.3250 1.983000       2.650000  
1 1 1 14 18 60  o 3.8790  1.2340 -0.9891000     2.468000  
1 1 1 14 18 61  o 4.3810  1.3140 1.084000       2.628000  
1 1 1 14 18 62  o 4.5970  1.3120 1.040000       2.624000  
1 1 1 14 18 63  o 3.1060  1.0630 -0.1624000     2.126000  
1 1 1 14 18 64  o 3.1830  1.1130 0.7301000      2.225000  
1 1 1 14 18 65  o 3.9830  1.3920 -1.088000      2.784000  
1 1 1 14 19 0   o 18.070  0.6273 -0.000000      0.000000  
1 1 1 14 19 1   o 11.690  0.6744 2.129000       1.349000  
1 1 1 14 19 2   o 15.220  0.4683 -0.5328000     0.9366000 
1 1 1 14 19 3   o 13.120  0.5178 -0.7532000     1.036000  
1 1 1 14 19 4   o 11.580  0.5567 -0.7491000E-01 1.113000  
1 1 1 14 19 5   o 15.890  0.4640 1.396000       0.9280000 
1 1 1 14 19 6   o 9.8640  0.6583 2.028000       1.317000  
1 1 1 14 19 7   o 12.140  0.5998 -1.321000      1.200000  
1 1 1 14 19 8   o 9.6520  0.6519 -0.8413000E-01 1.304000  
1 1 1 14 19 9   o 9.9780  0.6350 -0.4979000     1.270000  
1 1 1 14 19 10  f 11.110  0.5833 -0.9139000     1.167000  
1 1 1 14 19 11  o 14.660  0.5895 -5.524000      1.179000  
1 1 1 14 19 12  o 30.880  0.5559 -2.159000      1.112000  
1 1 1 14 19 13  o 15.660  0.5917 0.3739000E-01  1.183000  
1 1 1 14 19 14  o 18.110  0.4630 0.3750000E-01  0.9260000 
1 1 1 14 19 15  o 11.130  0.5952 0.6042000      1.190000  
1 1 1 14 19 16  o 13.180  0.6636 0.1352000      1.327000  
1 1 1 14 19 17  o 35.130  0.6079 -2.050000      1.216000  
1 1 1 14 19 18  o 21.560  0.6740 -0.5917000     1.348000  
1 1 1 14 19 19  o 11.480  0.7465 1.344000       1.493000  
1 1 1 14 19 20  o 22.470  0.4701 0.4468000E-01  0.9402000 
1 1 1 14 19 21  o 19.780  0.5198 1.306000       1.040000  
1 1 1 14 19 22  o 6.1010  1.1960 1.229000       2.392000  
1 1 1 14 19 23  o 12.060  0.6480 -0.2891000     1.296000  
1 1 1 14 19 24  o 22.400  0.5160 0.1564000      1.032000  
1 1 1 14 19 25  o 14.700  0.6178 -3.608000      1.236000  
1 1 1 14 19 26  o 19.940  0.5838 4.274000       1.168000  
1 1 1 14 19 27  o 11.690  0.8094 -0.3382000E-01 1.619000  
1 1 1 14 19 28  o 10.820  0.7678 0.8139000      1.536000  
1 1 1 14 19 29  o 10.660  0.7726 -0.5337000     1.545000  
1 1 1 14 19 30  o 8.5220  0.9707 1.075000       1.941000  
1 1 1 14 19 31  o 11.270  0.7331 -0.1451000     1.466000  
1 1 1 14 19 32  o 5.4780  1.3200 -0.6080000     2.640000  
1 1 1 14 19 33  o 11.780  0.8132 -0.9681000     1.626000  
1 1 1 14 19 34  o 5.4660  1.3510 0.5413000      2.703000  
1 1 1 14 19 35  f 5.5420  1.3500 -1.012000      2.699000  
1 1 1 14 19 36  o 6.3150  1.3270 1.197000       2.653000  
1 1 1 14 19 37  o 11.300  0.8819 -1.093000      1.764000  
1 1 1 14 19 38  o 5.0530  1.2940 2.218000       2.588000  
1 1 1 14 19 39  f 7.4020  1.2710 1.328000       2.542000  
1 1 1 14 19 40  o 6.9440  1.3250 1.035000       2.651000  
1 1 1 14 19 41  o 9.4750  1.0420 -0.5734000E-01 2.085000  
1 1 1 14 19 42  o 7.2470  1.2680 0.8456000      2.537000  
1 1 1 14 19 43  o 8.6620  1.1650 -2.376000      2.331000  
1 1 1 14 19 44  o 4.9440  1.3560 0.5239000E-01  2.711000  
1 1 1 14 19 45  o 5.1100  1.3760 0.1921000      2.751000  
1 1 1 14 19 46  o 4.4610  1.3160 -0.7363000     2.633000  
1 1 1 14 19 47  o 8.3190  1.2970 1.400000       2.594000  
1 1 1 14 19 48  o 4.0780  1.2600 -0.6709000     2.520000  
1 1 1 14 19 49  o 11.850  0.9270 0.7510000      1.854000  
1 1 1 14 19 50  o 3.9430  1.2340 -0.3775000     2.469000  
1 1 1 14 19 51  o 4.0680  1.2680 0.8517000E-01  2.536000  
1 1 1 14 19 52  o 6.3460  1.3910 2.444000       2.781000  
1 1 1 14 19 53  o 6.9070  1.3660 -2.442000      2.732000  
1 1 1 14 19 54  o 5.0720  1.3890 -0.9199000     2.777000  
1 1 1 14 19 55  o 5.9360  1.3770 1.278000       2.755000  
1 1 1 14 19 56  o 4.5130  1.3400 0.7297000E-01  2.680000  
1 1 1 14 19 57  o 7.7920  1.3420 -0.6129000     2.684000  
1 1 1 14 19 58  o 3.8100  1.2150 -0.7647000E-01 2.431000  
1 1 1 14 19 59  o 5.5350  1.3920 -0.8745000E-01 2.783000  
1 1 1 14 19 60  o 4.0740  1.2340 1.693000       2.468000  
1 1 1 14 19 61  o 5.3650  1.4140 -0.9480000     2.828000  
1 1 1 14 19 62  o 5.1250  1.5520 1.106000       3.105000  
1 1 1 14 19 63  o 3.0450  1.5680 ?              ?         
1 1 1 14 20 0   o 5.6840  2.4330 -0.000000      0.000000  
1 1 1 14 20 1   o 17.980  0.4571 -1.488000      0.9143000 
1 1 1 14 20 2   o 11.100  0.6119 -0.6401000     1.224000  
1 1 1 14 20 3   o 6.2630  0.9834 1.720000       1.967000  
1 1 1 14 20 4   o 6.6190  0.9557 2.703000       1.911000  
1 1 1 14 20 5   o 13.400  0.5181 0.7673000      1.036000  
1 1 1 14 20 6   o 15.310  0.5501 2.073000       1.100000  
1 1 1 14 20 7   o 22.240  0.4561 -0.7180000     0.9122000 
1 1 1 14 20 8   o 14.330  0.5077 0.5297000      1.015000  
1 1 1 14 20 9   o 11.110  0.5886 -1.738000      1.177000  
1 1 1 14 20 10  o 9.2650  0.6796 -2.063000      1.359000  
1 1 1 14 20 11  o 6.5750  0.9729 0.5091000      1.946000  
1 1 1 14 20 12  o 8.7810  0.7260 0.1699000      1.452000  
1 1 1 14 20 13  o 12.480  0.5592 1.434000       1.118000  
1 1 1 14 20 14  o 14.030  0.5140 0.5102000      1.028000  
1 1 1 14 20 15  o 19.220  0.4673 -0.4499000     0.9346000 
1 1 1 14 20 16  o 27.000  0.4915 -0.2773000     0.9829000 
1 1 1 14 20 17  o 23.240  0.5474 -1.692000      1.095000  
1 1 1 14 20 18  o 11.380  0.6978 2.642000       1.396000  
1 1 1 14 20 19  o 13.120  0.5451 0.7315000      1.090000  
1 1 1 14 20 20  o 13.630  0.5262 -1.119000      1.052000  
1 1 1 14 20 21  o 5.3720  1.0720 2.715000       2.145000  
1 1 1 14 20 22  o 24.850  0.5306 -1.178000      1.061000  
1 1 1 14 20 23  o 7.7480  1.2190 -3.815000      2.438000  
1 1 1 14 20 24  o 5.8720  1.1680 0.6152000E-01  2.337000  
1 1 1 14 20 25  o 11.660  0.7047 1.045000       1.409000  
1 1 1 14 20 26  o 21.700  0.5266 -1.814000      1.053000  
1 1 1 14 20 27  o 11.930  0.7385 2.400000       1.477000  
1 1 1 14 20 28  o 16.050  0.5847 -0.7706000     1.169000  
1 1 1 14 20 29  o 8.9060  0.9652 1.047000       1.930000  
1 1 1 14 20 30  o 5.4500  1.1490 -3.969000      2.298000  
1 1 1 14 20 31  o 10.890  0.8529 2.859000       1.706000  
1 1 1 14 20 32  o 6.3870  1.2350 -1.224000      2.470000  
1 1 1 14 20 33  o 4.3720  1.2460 -1.772000      2.492000  
1 1 1 14 20 34  o 6.7170  1.3180 -0.8864000     2.637000  
1 1 1 14 20 35  o 5.9910  1.3510 -1.186000      2.702000  
1 1 1 14 20 36  o 5.1630  1.2510 -3.294000      2.502000  
1 1 1 14 20 37  o 4.6810  1.2980 -0.5090000     2.596000  
1 1 1 14 20 38  o 9.0620  1.0780 -1.147000      2.156000  
1 1 1 14 20 39  o 4.0300  1.2200 -1.003000      2.441000  
1 1 1 14 20 40  o 4.8570  1.3270 -0.7882000     2.654000  
1 1 1 14 20 41  o 3.7950  1.1990 0.3612000      2.398000  
1 1 1 14 20 42  o 4.7300  1.3190 0.9018000      2.639000  
1 1 1 14 20 43  o 6.6280  1.3480 1.234000       2.696000  
1 1 1 14 20 44  o 4.1540  1.2570 0.9968000      2.513000  
1 1 1 14 20 45  o 4.1930  1.2730 -0.6251000     2.546000  
1 1 1 14 20 46  o 5.6840  1.4250 1.109000       2.850000  
1 1 1 14 20 47  o 6.4090  1.4210 1.072000       2.843000  
1 1 1 14 20 48  o 6.6250  1.3910 -1.921000      2.781000  
1 1 1 14 20 49  o 3.9390  1.2360 -0.6441000E-01 2.473000  
1 1 1 14 20 50  o 7.6080  1.2730 0.9475000      2.547000  
1 1 1 14 20 51  o 5.8330  1.3810 -1.147000      2.762000  
1 1 1 14 20 52  o 4.0650  1.2580 0.2346000E-01  2.517000  
1 1 1 14 20 53  o 5.9650  1.4100 -0.1554000     2.819000  
1 1 1 14 20 54  o 6.6050  1.3720 -1.331000      2.745000  
1 1 1 14 20 55  f 4.1650  1.2340 -1.605000      2.469000  
1 1 1 14 20 56  o 3.8210  1.1990 -0.6961000     2.398000  
1 1 1 14 20 57  o 4.5450  1.3070 0.4568000E-01  2.615000  
1 1 1 14 20 58  o 8.4090  1.2050 0.5639000      2.409000  
1 1 1 14 20 59  o 4.6990  1.4640 1.314000       2.929000  
1 1 1 14 20 60  o 3.7670  1.9040 ?              ?         
1 1 1 14 21 0   o 18.370  0.6663 0.000000       0.000000  
1 1 1 14 21 1   o 17.660  0.4844 -0.8279000     0.9688000 
1 1 1 14 21 2   o 11.020  0.7034 1.567000       1.407000  
1 1 1 14 21 3   o 9.0740  0.7518 -2.613000      1.504000  
1 1 1 14 21 4   o 6.3920  0.9976 -1.102000      1.995000  
1 1 1 14 21 5   o 8.8320  0.7276 0.3726000      1.455000  
1 1 1 14 21 6   o 12.550  0.5638 -2.444000      1.128000  
1 1 1 14 21 7   o 14.680  0.5052 -1.534000      1.010000  
1 1 1 14 21 8   o 9.0350  0.8295 2.634000       1.659000  
1 1 1 14 21 9   o 8.8000  0.7364 0.2110000      1.473000  
1 1 1 14 21 10  o 10.440  0.6215 -0.5348000     1.243000  
1 1 1 14 21 11  o 10.220  0.6435 -0.6418000E-03 1.287000  
1 1 1 14 21 12  o 14.750  0.4983 -0.7524000     0.9966000 
1 1 1 14 21 13  o 10.320  0.6294 -0.2283000     1.259000  
1 1 1 14 21 14  o 9.3670  0.7035 0.8903000      1.407000  
1 1 1 14 21 15  f 14.570  0.5014 -0.3948000E-01 1.003000  
1 1 1 14 21 16  o 17.380  0.4816 -0.1135000     0.9632000 
1 1 1 14 21 17  o 7.8820  0.9924 3.385000       1.985000  
1 1 1 14 21 18  o 14.420  0.5084 -0.2031000     1.017000  
1 1 1 14 21 19  o 12.100  0.5753 -0.6533000     1.151000  
1 1 1 14 21 20  o 6.0320  1.0490 -2.253000      2.099000  
1 1 1 14 21 21  o 3.8830  1.0780 0.4483000      2.156000  
1 1 1 14 21 22  o 3.2100  0.9987 -0.4903000     1.997000  
1 1 1 14 21 23  o 9.9310  0.8532 2.200000       1.706000  
1 1 1 14 21 24  o 15.660  0.5822 -1.966000      1.164000  
1 1 1 14 21 25  o 10.0000 0.8307 0.8558000      1.661000  
1 1 1 14 21 26  o 15.310  0.5893 -1.263000      1.179000  
1 1 1 14 21 27  o 8.3010  0.9709 -2.658000      1.942000  
1 1 1 14 21 28  o 12.610  0.7109 1.695000       1.422000  
1 1 1 14 21 29  o 6.7680  1.1240 -4.255000      2.248000  
1 1 1 14 21 30  o 4.4130  1.2240 -0.1383000     2.448000  
1 1 1 14 21 31  o 6.1910  1.2370 0.3852000      2.475000  
1 1 1 14 21 32  o 5.6610  1.2450 -2.387000      2.490000  
1 1 1 14 21 33  o 3.9760  1.1760 -0.4409000     2.353000  
1 1 1 14 21 34  f 7.0250  1.2840 0.5034000      2.569000  
1 1 1 14 21 35  o 4.2330  1.2530 -0.8265000     2.506000  
1 1 1 14 21 36  o 4.3240  1.2680 0.5815000      2.536000  
1 1 1 14 21 37  o 6.4460  1.3420 0.3586000      2.683000  
1 1 1 14 21 38  o 11.150  0.8942 0.7735000      1.788000  
1 1 1 14 21 39  o 8.6400  1.1770 -3.172000      2.353000  
1 1 1 14 21 40  o 4.8040  1.3040 -1.586000      2.608000  
1 1 1 14 21 41  f 9.6380  1.0370 0.5488000E-02  2.075000  
1 1 1 14 21 42  o 11.460  0.8997 -0.9482000     1.799000  
1 1 1 14 21 43  o 4.1130  1.2380 -1.214000      2.475000  
1 1 1 14 21 44  o 5.4750  1.2930 3.217000       2.587000  
1 1 1 14 21 45  o 3.3990  1.1120 -0.8122000     2.225000  
1 1 1 14 21 46  o 8.3350  1.2550 -1.269000      2.509000  
1 1 1 14 21 47  o 4.8940  1.3400 -1.202000      2.681000  
1 1 1 14 21 48  o 5.4370  1.3000 3.424000       2.600000  
1 1 1 14 21 49  o 9.2660  1.1720 0.2084000      2.343000  
1 1 1 14 21 50  o 4.8100  1.3300 1.426000       2.660000  
1 1 1 14 21 51  o 3.5560  1.1570 -0.8169000     2.315000  
1 1 1 14 21 52  o 4.6580  1.3150 1.308000       2.630000  
1 1 1 14 21 53  o 3.3450  1.1090 -0.2699000E-01 2.217000  
1 1 1 14 21 54  o 3.6500  1.1660 0.5343000      2.333000  
1 1 1 14 21 55  o 4.6820  1.2950 0.8411000      2.590000  
1 1 1 14 21 56  o 3.5890  1.7610 ?              ?         
1 1 1 14 22 0   o 19.510  0.6629 0.000000       0.000000  
1 1 1 14 22 1   o 11.560  0.6477 1.118000       1.295000  
1 1 1 14 22 2   o 9.1330  0.7249 -0.6140000     1.450000  
1 1 1 14 22 3   o 7.2810  0.9261 -2.206000      1.852000  
1 1 1 14 22 4   o 6.9670  0.9287 -2.633000      1.857000  
1 1 1 14 22 5   f 13.380  0.5430 1.018000       1.086000  
1 1 1 14 22 6   o 10.930  0.6181 -1.061000      1.236000  
1 1 1 14 22 7   o 8.0720  0.8088 1.121000       1.618000  
1 1 1 14 22 8   o 10.210  0.6570 0.3806000      1.314000  
1 1 1 14 22 9   o 9.3320  0.7138 -1.085000      1.428000  
1 1 1 14 22 10  o 10.450  0.6353 -0.1622000     1.271000  
1 1 1 14 22 11  o 11.360  0.6051 -0.7035000     1.210000  
1 1 1 14 22 12  o 10.940  0.6113 0.5919000E-01  1.223000  
1 1 1 14 22 13  o 8.6960  0.7667 1.517000       1.533000  
1 1 1 14 22 14  o 6.4540  0.9881 2.298000       1.976000  
1 1 1 14 22 15  o 7.6250  0.8784 -1.694000      1.757000  
1 1 1 14 22 16  o 11.730  0.5982 -1.263000      1.196000  
1 1 1 14 22 17  o 12.420  0.5857 0.3633000      1.171000  
1 1 1 14 22 18  o 6.6740  1.0120 2.188000       2.023000  
1 1 1 14 22 19  o 5.3780  1.1120 -0.9031000E-01 2.224000  
1 1 1 14 22 20  o 4.5510  1.1430 -0.3631000E-01 2.285000  
1 1 1 14 22 21  o 9.4710  0.7485 -0.8987000     1.497000  
1 1 1 14 22 22  o 11.550  0.6232 0.7581000E-01  1.246000  
1 1 1 14 22 23  o 7.9070  0.8875 -1.482000      1.775000  
1 1 1 14 22 24  o 3.8420  1.1240 -1.708000      2.248000  
1 1 1 14 22 25  o 8.6370  0.9524 0.9349000      1.905000  
1 1 1 14 22 26  o 10.120  0.8346 1.034000       1.669000  
1 1 1 14 22 27  o 7.3630  1.1050 -1.104000      2.210000  
1 1 1 14 22 28  o 4.7070  1.1990 -1.727000      2.398000  
1 1 1 14 22 29  f 4.9930  1.2230 0.5132000      2.446000  
1 1 1 14 22 30  o 3.1990  1.0430 -1.138000      2.086000  
1 1 1 14 22 31  o 7.4270  1.0930 -0.3386000     2.186000  
1 1 1 14 22 32  o 3.8500  1.1230 1.174000       2.246000  
1 1 1 14 22 33  o 8.8770  0.9692 -0.2682000     1.938000  
1 1 1 14 22 34  o 9.8470  0.8783 -1.090000      1.757000  
1 1 1 14 22 35  o 17.060  0.6894 1.291000       1.379000  
1 1 1 14 22 36  o 9.7630  1.0740 0.4806000      2.148000  
1 1 1 14 22 37  o 7.6820  1.2870 -2.463000      2.573000  
1 1 1 14 22 38  o 5.1820  1.3790 0.8738000      2.759000  
1 1 1 14 22 39  o 11.190  0.9584 0.2279000      1.917000  
1 1 1 14 22 40  o 7.7210  1.2930 -0.8647000     2.587000  
1 1 1 14 22 41  o 4.8180  1.3260 -0.9429000     2.652000  
1 1 1 14 22 42  o 10.270  1.0250 0.5382000      2.051000  
1 1 1 14 22 43  f 4.4240  1.3060 -0.5112000     2.612000  
1 1 1 14 22 44  f 3.7840  1.2020 0.6140000      2.403000  
1 1 1 14 22 45  o 3.8030  1.1890 -1.540000      2.377000  
1 1 1 14 22 46  o 3.1830  1.0720 -0.7141000     2.144000  
1 1 1 14 22 47  f 5.3500  1.3590 1.635000       2.718000  
1 1 1 14 22 48  o 2.9770  1.0190 -0.1559000     2.039000  
1 1 1 14 22 49  f 3.5160  1.1480 0.4493000      2.295000  
1 1 1 14 22 50  o 3.5070  1.1440 -0.1394000     2.287000  
1 1 1 14 22 51  o 5.4710  1.3780 0.4590000      2.756000  
1 1 1 14 22 52  f 3.9710  1.7580 ?              ?         
1 1 1 14 23 0   o 8.3940  1.0980 -0.000000      0.000000  
1 1 1 14 23 1   o 7.4470  0.9264 1.862000       1.853000  
1 1 1 14 23 2   o 10.420  0.6593 -0.5481000     1.319000  
1 1 1 14 23 3   o 4.8930  1.0820 1.545000       2.165000  
1 1 1 14 23 4   o 6.2350  1.0500 -1.594000      2.099000  
1 1 1 14 23 5   o 11.520  0.6168 -0.8846000     1.234000  
1 1 1 14 23 6   o 12.320  0.5691 0.5178000      1.138000  
1 1 1 14 23 7   o 8.6520  0.7705 -0.7879000     1.541000  
1 1 1 14 23 8   f 18.170  0.4695 0.3491000      0.9389000 
1 1 1 14 23 9   o 8.0530  0.9409 4.798000       1.882000  
1 1 1 14 23 10  o 7.5270  0.8953 -2.846000      1.791000  
1 1 1 14 23 11  o 13.150  0.5499 -1.166000      1.100000  
1 1 1 14 23 12  o 11.220  0.6218 1.550000       1.244000  
1 1 1 14 23 13  f 15.690  0.4949 0.4616000      0.9899000 
1 1 1 14 23 14  o 8.6510  0.9135 4.035000       1.827000  
1 1 1 14 23 15  f 5.4480  1.0720 -1.922000      2.143000  
1 1 1 14 23 16  o 3.7140  1.0220 -1.673000      2.045000  
1 1 1 14 23 17  o 4.0560  1.0770 -1.404000      2.155000  
1 1 1 14 23 18  o 4.8820  1.1340 0.5785000      2.268000  
1 1 1 14 23 19  o 7.0880  0.9475 -0.6401000     1.895000  
1 1 1 14 23 20  f 15.960  0.5012 -0.1938000     1.002000  
1 1 1 14 23 21  o 12.220  0.6070 -0.6965000     1.214000  
1 1 1 14 23 22  o 4.6320  1.1360 1.271000       2.271000  
1 1 1 14 23 23  o 9.4920  0.7533 0.3616000      1.507000  
1 1 1 14 23 24  o 13.310  0.5749 -0.5112000     1.150000  
1 1 1 14 23 25  o 9.9540  0.8031 -2.086000      1.606000  
1 1 1 14 23 26  o 10.090  0.8480 2.618000       1.696000  
1 1 1 14 23 27  o 8.5920  0.9459 0.5053000      1.892000  
1 1 1 14 23 28  o 7.1620  1.1210 -0.4361000     2.242000  
1 1 1 14 23 29  o 7.2560  1.1240 -0.1260000     2.248000  
1 1 1 14 23 30  f 6.1220  1.1670 2.179000       2.334000  
1 1 1 14 23 31  o 11.260  0.7687 0.1754000      1.537000  
1 1 1 14 23 32  o 7.4410  1.0990 -2.853000      2.198000  
1 1 1 14 23 33  o 10.810  0.7922 -0.7535000     1.584000  
1 1 1 14 23 34  o 14.670  0.6718 1.619000       1.344000  
1 1 1 14 23 35  o 9.1950  0.9449 -2.564000      1.890000  
1 1 1 14 23 36  o 3.9030  1.2080 -0.6687000     2.416000  
1 1 1 14 23 37  o 5.1640  1.3520 -0.4574000     2.703000  
1 1 1 14 23 38  o 6.3030  1.3270 -1.920000      2.654000  
1 1 1 14 23 39  o 4.0170  1.2080 1.726000       2.415000  
1 1 1 14 23 40  o 7.6050  1.2970 -0.9383000     2.595000  
1 1 1 14 23 41  o 3.8560  1.2060 0.1043000      2.413000  
1 1 1 14 23 42  o 11.780  0.8941 -1.097000      1.788000  
1 1 1 14 23 43  o 4.3250  1.2520 2.263000       2.504000  
1 1 1 14 23 44  o 3.2770  1.0920 -0.2886000     2.185000  
1 1 1 14 23 45  o 4.4600  1.3070 0.4535000      2.614000  
1 1 1 14 23 46  o 3.2910  1.0930 -0.7220000     2.187000  
1 1 1 14 23 47  o 3.6680  1.1950 1.959000       2.390000  
1 1 1 14 23 48  o 3.2110  1.5960 ?              ?         
1 1 1 14 24 0   o 18.640  0.6877 0.000000       0.000000  
1 1 1 14 24 1   o 17.500  0.4924 1.508000       0.9848000 
1 1 1 14 24 2   o 11.240  0.6396 0.3871000      1.279000  
1 1 1 14 24 3   o 14.160  0.5481 0.8173000E-01  1.096000  
1 1 1 14 24 4   o 13.830  0.5549 0.6036000      1.110000  
1 1 1 14 24 5   o 10.930  0.7119 0.5570000      1.424000  
1 1 1 14 24 6   o 14.020  0.5488 -0.2912000     1.098000  
1 1 1 14 24 7   o 12.600  0.5878 -1.323000      1.176000  
1 1 1 14 24 8   o 15.000  0.5252 -1.196000      1.050000  
1 1 1 14 24 9   o 14.880  0.5263 -1.170000      1.053000  
1 1 1 14 24 10  o 10.570  0.6757 -0.3648000     1.351000  
1 1 1 14 24 11  o 5.4860  1.0660 2.542000       2.132000  
1 1 1 14 24 12  o 5.4990  1.0720 -2.269000      2.144000  
1 1 1 14 24 13  o 4.6140  1.1100 -1.445000      2.220000  
1 1 1 14 24 14  o 11.340  0.6235 -0.1476000     1.247000  
1 1 1 14 24 15  o 7.9730  0.8741 -0.3312000     1.748000  
1 1 1 14 24 16  o 6.3240  1.0540 1.077000       2.109000  
1 1 1 14 24 17  o 10.540  0.7008 -3.093000      1.402000  
1 1 1 14 24 18  o 13.750  0.5496 -0.4886000     1.099000  
1 1 1 14 24 19  o 9.4190  0.7547 0.9011000      1.509000  
1 1 1 14 24 20  o 8.3520  0.8474 1.379000       1.695000  
1 1 1 14 24 21  o 7.4610  0.9753 -0.9257000     1.951000  
1 1 1 14 24 22  o 5.9680  1.1000 -1.886000      2.199000  
1 1 1 14 24 23  o 8.3360  0.8812 -0.1661000     1.762000  
1 1 1 14 24 24  o 10.420  0.7091 -0.6976000E-01 1.418000  
1 1 1 14 24 25  o 15.030  0.5518 -0.3268000     1.104000  
1 1 1 14 24 26  o 11.780  0.7093 -2.157000      1.419000  
1 1 1 14 24 27  f 7.5110  1.0660 -1.608000      2.132000  
1 1 1 14 24 28  o 9.9780  0.8408 -1.938000      1.682000  
1 1 1 14 24 29  o 6.6840  1.1880 0.1164000      2.375000  
1 1 1 14 24 30  o 12.450  0.7249 -0.1409000     1.450000  
1 1 1 14 24 31  o 6.0380  1.2590 -1.128000      2.517000  
1 1 1 14 24 32  f 3.9550  1.1690 -1.522000      2.337000  
1 1 1 14 24 33  o 4.0690  1.1830 -0.8308000     2.366000  
1 1 1 14 24 34  o 3.6340  1.1290 -1.021000      2.257000  
1 1 1 14 24 35  o 4.3710  1.1790 1.429000       2.358000  
1 1 1 14 24 36  o 5.4250  1.2610 -1.295000      2.521000  
1 1 1 14 24 37  o 6.5790  1.3790 1.033000       2.758000  
1 1 1 14 24 38  o 9.5910  1.1080 -0.5328000     2.215000  
1 1 1 14 24 39  o 3.8510  1.2160 -0.1075000     2.431000  
1 1 1 14 24 40  o 5.0980  1.2590 -2.973000      2.518000  
1 1 1 14 24 41  o 3.8150  1.2080 0.8918000      2.416000  
1 1 1 14 24 42  o 3.5760  1.1890 0.3727000      2.378000  
1 1 1 14 24 43  o 3.0640  1.5250 ?              ?         
1 1 1 14 25 0   o 7.1660  1.5630 0.000000       0.000000  
1 1 1 14 25 1   o 11.130  0.6455 -0.7785000     1.291000  
1 1 1 14 25 2   o 6.9850  0.9786 -0.4483000     1.957000  
1 1 1 14 25 3   o 8.3820  0.8638 -1.963000      1.728000  
1 1 1 14 25 4   f 16.000  0.5783 -3.262000      1.157000  
1 1 1 14 25 5   o 10.260  0.7152 -0.7171000     1.430000  
1 1 1 14 25 6   o 7.8390  0.9214 2.158000       1.843000  
1 1 1 14 25 7   o 11.750  0.6105 -1.274000      1.221000  
1 1 1 14 25 8   o 10.020  0.7447 -1.778000      1.489000  
1 1 1 14 25 9   o 10.790  0.6856 -0.5981000     1.371000  
1 1 1 14 25 10  o 9.3800  0.7663 0.5038000      1.533000  
1 1 1 14 25 11  o 6.5780  1.0450 -0.3467000E-03 2.091000  
1 1 1 14 25 12  o 13.060  0.5952 0.6875000      1.190000  
1 1 1 14 25 13  o 10.530  0.7015 -0.3693000     1.403000  
1 1 1 14 25 14  o 9.6510  0.7725 -0.8357000     1.545000  
1 1 1 14 25 15  o 13.090  0.5859 -0.5661000     1.172000  
1 1 1 14 25 16  o 7.9580  0.8989 2.068000       1.798000  
1 1 1 14 25 17  o 10.640  0.6909 -0.4867000     1.382000  
1 1 1 14 25 18  o 12.100  0.6395 0.2046000      1.279000  
1 1 1 14 25 19  f 11.340  0.6615 0.3461000      1.323000  
1 1 1 14 25 20  o 5.9160  1.1240 -1.444000      2.247000  
1 1 1 14 25 21  o 11.390  0.6623 -1.411000      1.325000  
1 1 1 14 25 22  o 8.3310  0.9265 -2.807000      1.853000  
1 1 1 14 25 23  o 9.1060  0.8474 -1.085000      1.695000  
1 1 1 14 25 24  o 4.0350  1.1120 1.392000       2.224000  
1 1 1 14 25 25  o 4.8610  1.1740 -0.1003000     2.347000  
1 1 1 14 25 26  o 5.7660  1.1370 0.4007000      2.275000  
1 1 1 14 25 27  o 3.7950  1.0950 1.296000       2.190000  
1 1 1 14 25 28  o 9.7950  0.8638 0.8602000E-03  1.728000  
1 1 1 14 25 29  o 4.3830  1.1830 0.9013000      2.367000  
1 1 1 14 25 30  o 3.7160  1.1360 -0.2135000     2.272000  
1 1 1 14 25 31  o 4.0810  1.1620 0.9301000      2.323000  
1 1 1 14 25 32  o 3.7270  1.1200 0.9675000      2.240000  
1 1 1 14 25 33  o 10.330  0.9266 3.212000       1.853000  
1 1 1 14 25 34  o 7.9460  1.1000 -2.583000      2.200000  
1 1 1 14 25 35  o 3.7530  1.1590 -0.7993000     2.318000  
1 1 1 14 25 36  o 4.0670  1.2990 -0.4336000     2.599000  
1 1 1 14 25 37  o 3.0280  1.5410 ?              ?         
1 1 1 14 26 0   o 5.7540  1.8460 0.000000       0.000000  
1 1 1 14 26 1   o 4.6610  1.1570 -0.2776000     2.314000  
1 1 1 14 26 2   o 4.4150  1.1270 -1.030000      2.254000  
1 1 1 14 26 3   o 8.8000  0.7971 -0.3854000     1.594000  
1 1 1 14 26 4   o 10.880  0.6794 -0.6510000     1.359000  
1 1 1 14 26 5   o 10.040  0.7398 -0.2729000E-01 1.480000  
1 1 1 14 26 6   o 9.9090  0.7339 -0.6750000     1.468000  
1 1 1 14 26 7   o 6.5970  1.0350 -0.6511000     2.070000  
1 1 1 14 26 8   o 7.9900  0.8676 1.178000       1.735000  
1 1 1 14 26 9   o 8.8170  0.8092 -1.368000      1.618000  
1 1 1 14 26 10  o 8.8600  0.8513 -1.664000      1.703000  
1 1 1 14 26 11  o 9.1410  0.8139 -1.671000      1.628000  
1 1 1 14 26 12  o 6.9130  1.0540 -0.1204000     2.108000  
1 1 1 14 26 13  o 8.0340  0.8837 -1.476000      1.767000  
1 1 1 14 26 14  o 10.320  0.7060 1.627000       1.412000  
1 1 1 14 26 15  o 7.7720  0.9309 0.5265000      1.862000  
1 1 1 14 26 16  o 4.1270  1.0910 -2.180000      2.182000  
1 1 1 14 26 17  o 4.1410  1.1320 -0.8591000     2.264000  
1 1 1 14 26 18  o 7.8550  0.9248 -0.6126000     1.850000  
1 1 1 14 26 19  o 5.8580  1.1140 -1.425000      2.227000  
1 1 1 14 26 20  o 3.4650  1.0230 1.304000       2.047000  
1 1 1 14 26 21  o 4.0310  1.1120 1.391000       2.225000  
1 1 1 14 26 22  o 7.7370  0.9980 0.9013000      1.996000  
1 1 1 14 26 23  o 8.3220  0.9087 -1.235000      1.817000  
1 1 1 14 26 24  o 8.4670  0.8837 -0.3898000     1.767000  
1 1 1 14 26 25  o 4.4790  1.1610 -1.055000      2.322000  
1 1 1 14 26 26  o 3.2490  1.0180 -1.160000      2.036000  
1 1 1 14 26 27  o 2.9730  0.9698 0.1064000      1.940000  
1 1 1 14 26 28  o 6.1430  1.3830 1.833000       2.766000  
1 1 1 14 26 29  o 4.6890  2.0680 ?              ?         
1 1 1 14 27 0   o 10.0000 1.0020 -0.000000      0.000000  
1 1 1 14 27 1   o 5.8890  1.1360 0.9583000      2.272000  
1 1 1 14 27 2   o 5.8360  1.0150 4.027000       2.030000  
1 1 1 14 27 3   o 6.5980  1.0690 -0.2346000     2.139000  
1 1 1 14 27 4   o 4.3010  1.1390 -0.8670000     2.277000  
1 1 1 14 27 5   o 6.6730  1.0750 -0.7047000     2.151000  
1 1 1 14 27 6   o 10.0000 0.7534 -1.348000      1.507000  
1 1 1 14 27 7   f 5.3340  1.1020 2.267000       2.205000  
1 1 1 14 27 8   o 3.8580  1.0810 1.535000       2.162000  
1 1 1 14 27 9   o 4.5450  1.1510 0.1615000      2.303000  
1 1 1 14 27 10  o 6.0200  1.1030 2.233000       2.205000  
1 1 1 14 27 11  o 9.6260  0.7875 -1.069000      1.575000  
1 1 1 14 27 12  o 6.2630  1.1130 1.515000       2.225000  
1 1 1 14 27 13  o 4.0960  1.1500 0.3578000      2.300000  
1 1 1 14 27 14  o 5.8860  1.1480 -1.594000      2.296000  
1 1 1 14 27 15  o 3.7820  1.1160 0.3935000      2.231000  
1 1 1 14 27 16  o 5.4700  1.2120 -1.640000      2.424000  
1 1 1 14 27 17  o 5.2850  1.6030 ?              ?         
1 1 1 14 27 18  o 6.4330  2.1390 ?              ?         
1 1 1 14 27 19  o 3.7100  1.8530 ?              ?         
1 1 1 14 27 20  o 3.7110  1.8630 ?              ?         
1 1 1 15 0  1   o 14.990  0.5303 -0.000000      0.000000  
1 1 1 15 0  2   f 15.200  0.5388 -0.000000      0.000000  
1 1 1 15 0  3   o 22.040  0.9249 0.000000       0.000000  
1 1 1 15 0  4   o 59.080  2.3390 0.000000       0.000000  
1 1 1 15 0  5   o 33.410  1.3320 0.000000       0.000000  
1 1 1 15 0  6   o 24.350  0.9909 0.000000       0.000000  
1 1 1 15 0  7   o 82.510  3.2920 -0.000000      0.000000  
1 1 1 15 0  8   o 60.070  2.3850 0.000000       0.000000  
1 1 1 15 0  9   o 51.410  2.0400 0.000000       0.000000  
1 1 1 15 0  10  o 25.230  1.0290 0.000000       0.000000  
1 1 1 15 0  11  o 25.150  1.0300 0.000000       0.000000  
1 1 1 15 0  12  o 14.060  0.7197 0.000000       0.000000  
1 1 1 15 0  13  o 12.950  0.7400 0.000000       0.000000  
1 1 1 15 0  15  o 40.040  1.6070 0.000000       0.000000  
1 1 1 15 0  16  o 38.600  1.5510 0.000000       0.000000  
1 1 1 15 0  17  o 31.390  1.2850 0.000000       0.000000  
1 1 1 15 0  18  o 54.640  2.1850 0.000000       0.000000  
1 1 1 15 0  21  o 40.160  1.6020 0.000000       0.000000  
1 1 1 15 0  22  o 36.000  1.4360 0.000000       0.000000  
1 1 1 15 0  23  o 16.150  0.7322 0.000000       0.000000  
1 1 1 15 0  24  o 11.890  0.6640 0.000000       0.000000  
1 1 1 15 0  25  o 7.4530  0.8474 0.000000       0.000000  
1 1 1 15 0  26  o 20.270  0.8753 0.000000       0.000000  
1 1 1 15 0  27  o 13.080  0.7973 0.000000       0.000000  
1 1 1 15 0  28  o 63.210  2.5230 0.000000       0.000000  
1 1 1 15 0  29  o 72.020  2.8770 0.000000       0.000000  
1 1 1 15 0  30  o 46.140  1.8440 0.000000       0.000000  
1 1 1 15 0  31  o 55.330  2.2080 0.000000       0.000000  
1 1 1 15 0  32  o 30.150  1.2620 0.000000       0.000000  
1 1 1 15 0  33  o 24.150  1.0820 0.000000       0.000000  
1 1 1 15 0  34  o 3.5220  1.9920 0.000000       0.000000  
1 1 1 15 0  35  o 2.3450  1.6010 0.000000       0.000000  
1 1 1 15 0  36  o 4.0570  2.2040 0.000000       0.000000  
1 1 1 15 0  37  f 5.1210  2.3930 0.000000       0.000000  
1 1 1 15 0  38  o 30.370  1.3350 0.000000       0.000000  
1 1 1 15 0  39  o 6.8240  2.5380 0.000000       0.000000  
1 1 1 15 0  40  o 16.060  1.2500 0.000000       0.000000  
1 1 1 15 0  41  o 3.5200  2.2070 0.000000       0.000000  
1 1 1 15 0  42  o 3.7660  2.3240 0.000000       0.000000  
1 1 1 15 0  44  f 8.2610  2.8800 0.000000       0.000000  
1 1 1 15 0  45  o 20.180  1.4840 0.000000       0.000000  
1 1 1 15 0  46  o 3.9570  2.5530 0.000000       0.000000  
1 1 1 15 0  47  o 6.1370  3.0790 0.000000       0.000000  
1 1 1 15 0  48  o 33.770  1.6150 0.000000       0.000000  
1 1 1 15 0  49  o 18.180  1.7390 0.000000       0.000000  
1 1 1 15 0  50  o 6.9780  3.3390 0.000000       0.000000  
1 1 1 15 0  51  o 14.450  2.1200 0.000000       0.000000  
1 1 1 15 0  52  o 7.0400  3.3800 0.000000       0.000000  
1 1 1 15 0  53  o 3.4040  2.3650 0.000000       0.000000  
1 1 1 15 0  54  o 6.8780  3.4800 0.000000       0.000000  
1 1 1 15 0  55  o 15.590  2.3130 0.000000       0.000000  
1 1 1 15 0  56  o 5.5030  3.2690 0.000000       0.000000  
1 1 1 15 0  57  o 5.2310  3.2240 0.000000       0.000000  
1 1 1 15 0  58  o 18.380  2.2510 0.000000       0.000000  
1 1 1 15 0  59  o 9.5160  3.9750 0.000000       0.000000  
1 1 1 15 0  60  o 3.9910  2.7590 0.000000       0.000000  
1 1 1 15 0  61  o 6.6370  3.6810 0.000000       0.000000  
1 1 1 15 0  62  o 4.7780  3.1400 -0.000000      0.000000  
1 1 1 15 0  63  o 3.5730  2.5260 0.000000       0.000000  
1 1 1 15 0  64  o 5.9520  3.5440 0.000000       0.000000  
1 1 1 15 0  65  o 6.3840  3.7390 0.000000       0.000000  
1 1 1 15 0  66  o 6.2000  3.6550 0.000000       0.000000  
1 1 1 15 0  67  o 5.7350  3.6370 0.000000       0.000000  
1 1 1 15 0  68  o 8.4650  4.2650 0.000000       0.000000  
1 1 1 15 0  69  o 6.1360  3.8570 0.000000       0.000000  
1 1 1 15 0  70  o 4.8480  3.2330 0.000000       0.000000  
1 1 1 15 0  71  o 3.9060  2.7380 0.000000       0.000000  
1 1 1 15 0  72  o 5.0460  3.2740 0.000000       0.000000  
1 1 1 15 0  73  o 6.3080  3.7790 0.000000       0.000000  
1 1 1 15 0  74  o 3.7330  2.6820 0.000000       0.000000  
1 1 1 15 0  75  f 12.430  4.4640 0.000000       0.000000  
1 1 1 15 0  76  o 3.4970  2.5440 0.000000       0.000000  
1 1 1 15 0  77  o 5.5800  3.6000 0.000000       0.000000  
1 1 1 15 0  78  o 4.6400  3.0900 0.000000       0.000000  
1 1 1 15 0  79  o 7.1970  3.8560 0.000000       0.000000  
1 1 1 15 0  80  o 3.9960  2.7520 0.000000       0.000000  
1 1 1 15 0  81  o 4.4960  2.8650 -0.000000      0.000000  
1 1 1 15 0  82  o 3.4700  2.3320 -0.000000      0.000000  
1 1 1 15 1  0   o 38.530  1.0810 0.000000       0.000000  
1 1 1 15 1  1   o 28.810  0.7134 0.7445000      1.427000  
1 1 1 15 1  2   o 34.850  0.8493 0.5961000      1.699000  
1 1 1 15 1  3   o 41.080  0.9909 1.694000       1.982000  
1 1 1 15 1  4   f 22.520  0.9345 ?              ?         
1 1 1 15 1  5   o 35.420  0.8482 4.197000       1.696000  
1 1 1 15 1  6   o 36.040  1.0120 -2.579000      2.025000  
1 1 1 15 1  7   o 38.060  1.0690 -1.123000      2.138000  
1 1 1 15 1  8   o 31.890  0.9017 2.540000       1.803000  
1 1 1 15 1  9   o 27.110  0.7753 0.6341000      1.551000  
1 1 1 15 1  10  o 36.790  1.0450 -0.7689000     2.089000  
1 1 1 15 1  11  o 50.780  2.0170 ?              ?         
1 1 1 15 1  12  o 28.650  1.1620 ?              ?         
1 1 1 15 1  13  o 46.900  1.8640 ?              ?         
1 1 1 15 1  14  o 26.260  1.0850 ?              ?         
1 1 1 15 1  15  o 62.200  1.7690 8.296000       3.538000  
1 1 1 15 1  16  o 57.890  1.6300 3.613000       3.259000  
1 1 1 15 1  17  o 13.310  0.6846 ?              ?         
1 1 1 15 1  18  o 41.410  1.1670 -1.926000      2.334000  
1 1 1 15 1  19  o 14.500  0.5810 1.071000       1.162000  
1 1 1 15 1  20  o 35.410  1.0080 -1.972000      2.016000  
1 1 1 15 1  21  f 27.610  0.8116 1.661000       1.623000  
1 1 1 15 1  22  o 17.300  0.6214 0.3892000      1.243000  
1 1 1 15 1  23  o 36.220  1.0350 0.6616000      2.071000  
1 1 1 15 1  24  o 21.750  0.9122 ?              ?         
1 1 1 15 1  25  o 28.570  1.1570 ?              ?         
1 1 1 15 1  26  o 42.960  1.0400 -3.301000      2.080000  
1 1 1 15 1  27  f 34.010  1.3710 ?              ?         
1 1 1 15 1  28  o 12.450  0.5531 2.091000       1.106000  
1 1 1 15 1  29  o 31.720  0.7985 -0.5443000     1.597000  
1 1 1 15 1  30  o 17.600  0.6400 2.047000       1.280000  
1 1 1 15 1  31  o 32.030  0.9303 -2.039000      1.861000  
1 1 1 15 1  32  o 22.840  0.7366 1.188000       1.473000  
1 1 1 15 1  33  o 33.400  0.9756 0.8499000      1.951000  
1 1 1 15 1  34  o 11.260  0.8188 0.8106000      1.638000  
1 1 1 15 1  35  o 4.0130  1.2080 0.2013000      2.417000  
1 1 1 15 1  36  o 21.330  0.7623 0.4638000      1.525000  
1 1 1 15 1  37  o 15.790  0.7938 -1.655000      1.588000  
1 1 1 15 1  38  o 17.560  0.8050 -1.065000      1.610000  
1 1 1 15 1  39  o 22.030  1.1490 ?              ?         
1 1 1 15 1  40  o 18.760  0.8508 2.270000       1.702000  
1 1 1 15 1  41  o 10.980  1.2300 0.1240000      2.459000  
1 1 1 15 1  42  o 17.450  0.9533 1.250000       1.907000  
1 1 1 15 1  43  o 19.370  0.9512 0.5810000      1.902000  
1 1 1 15 1  44  o 35.530  1.1190 0.9749000      2.237000  
1 1 1 15 1  45  o 8.0250  1.6960 3.212000       3.392000  
1 1 1 15 1  46  o 18.570  1.0810 1.935000       2.163000  
1 1 1 15 1  47  o 8.7840  1.7980 1.152000       3.596000  
1 1 1 15 1  48  o 8.3570  2.7540 ?              ?         
1 1 1 15 1  49  o 9.6940  1.8130 1.894000       3.627000  
1 1 1 15 1  50  o 11.200  1.7750 -1.475000      3.550000  
1 1 1 15 1  51  o 19.160  1.2000 -0.2776000     2.400000  
1 1 1 15 1  52  o 11.660  1.8000 2.518000       3.601000  
1 1 1 15 1  53  o 16.840  1.3910 -0.1821000     2.782000  
1 1 1 15 1  54  o 11.410  1.9380 2.758000       3.877000  
1 1 1 15 1  55  o 6.7730  1.9470 1.786000       3.894000  
1 1 1 15 1  56  o 14.600  1.6990 -0.1658000     3.398000  
1 1 1 15 1  57  o 13.600  1.8360 -2.331000      3.672000  
1 1 1 15 1  58  o 8.3280  2.1720 -3.482000      4.345000  
1 1 1 15 1  59  o 8.3960  2.2520 0.4149000E-01  4.504000  
1 1 1 15 1  60  o 11.350  2.2470 -1.456000      4.494000  
1 1 1 15 1  61  o 9.2530  2.3710 0.4192000      4.741000  
1 1 1 15 1  62  o 7.5000  2.1330 2.944000       4.266000  
1 1 1 15 1  63  o 12.970  2.1800 3.798000       4.359000  
1 1 1 15 1  64  o 9.0060  2.2670 2.579000       4.533000  
1 1 1 15 1  65  o 13.460  2.2340 -2.267000      4.467000  
1 1 1 15 1  66  o 6.5940  2.0690 0.8021000      4.138000  
1 1 1 15 1  67  o 7.4880  2.2830 -3.158000      4.565000  
1 1 1 15 1  68  o 6.4240  2.1060 -0.7760000     4.211000  
1 1 1 15 1  69  o 11.840  2.5180 3.550000       5.036000  
1 1 1 15 1  70  o 9.3640  2.5100 0.7789000      5.019000  
1 1 1 15 1  71  o 6.0590  1.9840 -0.4240000     3.968000  
1 1 1 15 1  72  o 5.2990  1.8040 0.8792000      3.608000  
1 1 1 15 1  73  o 5.7250  1.9230 1.418000       3.846000  
1 1 1 15 1  74  o 6.8740  2.1550 1.990000       4.311000  
1 1 1 15 1  75  o 5.4990  1.8920 0.1845000      3.784000  
1 1 1 15 1  76  o 5.8430  1.9770 0.2769000      3.954000  
1 1 1 15 1  77  o 5.9460  1.9980 -1.340000      3.996000  
1 1 1 15 1  78  o 4.9050  1.6870 -0.3613000     3.373000  
1 1 1 15 1  79  f 4.7590  1.6420 -0.3836000     3.284000  
1 1 1 15 1  80  o 4.5340  1.5770 -0.4358000     3.154000  
1 1 1 15 1  81  o 4.0530  1.4030 -0.7042000     2.807000  
1 1 1 15 1  82  o 4.0150  1.3810 1.085000       2.763000  
1 1 1 15 2  0   f 44.370  1.7660 0.000000       0.000000  
1 1 1 15 2  1   o 47.140  1.1450 1.087000       2.289000  
1 1 1 15 2  2   o 45.780  1.1320 -3.610000      2.263000  
1 1 1 15 2  3   o 27.360  0.6542 -0.9427000     1.308000  
1 1 1 15 2  4   o 47.430  1.0870 -0.1618000     2.175000  
1 1 1 15 2  5   o 17.480  0.6880 -17.86000      1.376000  
1 1 1 15 2  6   o 34.160  0.7696 3.893000       1.539000  
1 1 1 15 2  7   o 34.660  0.8263 -4.155000      1.653000  
1 1 1 15 2  8   o 15.890  0.7406 ?              ?         
1 1 1 15 2  9   o 16.110  0.7508 ?              ?         
1 1 1 15 2  10  o 33.710  1.3440 ?              ?         
1 1 1 15 2  11  f 38.630  1.5370 ?              ?         
1 1 1 15 2  12  o 44.530  1.7700 ?              ?         
1 1 1 15 2  13  o 15.560  0.5953 -10.38000      1.191000  
1 1 1 15 2  14  o 53.030  1.4970 5.710000       2.993000  
1 1 1 15 2  15  o 23.040  0.7248 -15.13000      1.450000  
1 1 1 15 2  16  o 44.720  1.2620 3.131000       2.524000  
1 1 1 15 2  17  o 13.960  0.5663 -5.302000      1.133000  
1 1 1 15 2  18  o 64.070  1.8090 -0.6219000     3.617000  
1 1 1 15 2  19  o 43.510  1.2320 -2.883000      2.465000  
1 1 1 15 2  20  o 33.130  1.3250 ?              ?         
1 1 1 15 2  21  o 25.170  0.7614 2.151000       1.523000  
1 1 1 15 2  22  o 26.790  0.7979 -1.815000      1.596000  
1 1 1 15 2  23  o 37.560  1.0730 -0.5610000     2.146000  
1 1 1 15 2  24  o 29.660  0.8792 1.991000       1.758000  
1 1 1 15 2  25  o 22.900  0.7572 4.408000       1.514000  
1 1 1 15 2  26  o 3.9020  0.7707 4.330000       1.541000  
1 1 1 15 2  27  o 13.210  0.5394 -2.961000      1.079000  
1 1 1 15 2  28  o 12.110  0.5679 0.9830000      1.136000  
1 1 1 15 2  29  f 10.380  0.6420 1.524000       1.284000  
1 1 1 15 2  30  o 50.620  1.2270 -3.859000      2.454000  
1 1 1 15 2  31  o 23.810  1.0540 ?              ?         
1 1 1 15 2  32  o 17.740  0.6024 -2.330000      1.205000  
1 1 1 15 2  33  o 13.990  0.6550 2.676000       1.310000  
1 1 1 15 2  34  o 9.7750  0.8739 -0.9227000     1.748000  
1 1 1 15 2  35  o 31.030  0.9720 0.6354000      1.944000  
1 1 1 15 2  36  o 16.040  0.7298 5.407000       1.460000  
1 1 1 15 2  37  o 24.940  0.8404 -0.5666000     1.681000  
1 1 1 15 2  38  o 19.690  0.8432 3.801000       1.686000  
1 1 1 15 2  39  f 32.700  1.0140 -1.230000      2.028000  
1 1 1 15 2  40  o 45.350  1.3400 4.431000       2.680000  
1 1 1 15 2  41  o 12.480  1.2390 2.898000       2.478000  
1 1 1 15 2  42  o 34.500  1.0820 -2.016000      2.164000  
1 1 1 15 2  43  o 22.320  0.9745 4.709000       1.949000  
1 1 1 15 2  44  o 17.010  1.0800 2.216000       2.160000  
1 1 1 15 2  45  o 18.790  1.0450 3.108000       2.089000  
1 1 1 15 2  46  o 11.280  1.5610 -1.878000      3.122000  
1 1 1 15 2  47  o 13.990  1.3870 1.209000       2.773000  
1 1 1 15 2  48  f 6.8520  1.7790 -3.856000      3.557000  
1 1 1 15 2  49  o 11.170  1.6940 -1.833000      3.389000  
1 1 1 15 2  50  o 5.8810  1.7750 -0.7286000     3.550000  
1 1 1 15 2  51  f 17.200  1.2760 -0.9902000     2.553000  
1 1 1 15 2  52  o 9.9240  1.9110 1.574000       3.823000  
1 1 1 15 2  53  o 12.190  2.7680 ?              ?         
1 1 1 15 2  54  o 6.8780  1.9720 -0.6220000     3.944000  
1 1 1 15 2  55  o 21.820  1.2420 -0.4259000     2.484000  
1 1 1 15 2  56  o 9.0180  1.9590 -4.507000      3.918000  
1 1 1 15 2  57  o 7.2090  2.0060 1.537000       4.013000  
1 1 1 15 2  58  f 7.6060  2.0410 2.661000       4.082000  
1 1 1 15 2  59  o 10.380  2.2910 -1.462000      4.581000  
1 1 1 15 2  60  o 15.070  1.8790 2.162000       3.758000  
1 1 1 15 2  61  o 12.810  2.1190 6.240000       4.239000  
1 1 1 15 2  62  o 7.2980  2.1400 -2.656000      4.280000  
1 1 1 15 2  63  o 6.9630  2.1250 -0.8099000     4.250000  
1 1 1 15 2  64  o 6.5460  2.0450 0.7885000      4.090000  
1 1 1 15 2  65  o 6.4330  2.0430 -0.5882000E-01 4.085000  
1 1 1 15 2  66  o 6.2420  2.0300 0.6048000      4.060000  
1 1 1 15 2  67  o 9.3060  2.3900 2.461000       4.781000  
1 1 1 15 2  68  o 7.7640  2.3310 0.6101000      4.661000  
1 1 1 15 2  69  o 8.8130  2.4180 0.8176000      4.836000  
1 1 1 15 2  70  o 6.4040  2.0530 -0.8748000     4.105000  
1 1 1 15 2  71  o 5.8380  1.9320 0.4098000      3.864000  
1 1 1 15 2  72  f 7.9510  2.2890 0.2522000      4.578000  
1 1 1 15 2  73  o 5.9760  1.9680 -0.5214000     3.935000  
1 1 1 15 2  74  o 6.1440  1.9910 2.605000       3.982000  
1 1 1 15 2  75  o 6.2480  2.0310 -2.800000      4.062000  
1 1 1 15 2  76  o 6.2810  2.0600 -1.460000      4.119000  
1 1 1 15 2  77  o 6.4960  2.0800 1.085000       4.161000  
1 1 1 15 2  78  o 5.4890  1.8290 1.143000       3.659000  
1 1 1 15 2  79  o 5.4940  1.8350 -0.5223000     3.671000  
1 1 1 15 2  80  o 4.7380  1.6230 -0.9712000     3.247000  
1 1 1 15 2  81  o 4.1070  1.4160 0.1149000      2.832000  
1 1 1 15 2  82  o 4.0880  1.4020 0.8084000      2.805000  
1 1 1 15 3  1   o 11.330  0.6930 ?              ?         
1 1 1 15 3  2   o 51.880  1.0330 2.381000       2.066000  
1 1 1 15 3  4   o 52.720  1.0520 3.590000       2.104000  
1 1 1 15 3  5   o 46.580  0.8518 -1.355000      1.704000  
1 1 1 15 3  6   o 53.000  0.9680 0.4744000      1.936000  
1 1 1 15 3  7   o 20.250  0.9770 ?              ?         
1 1 1 15 3  8   o 40.570  1.0340 6.732000       2.068000  
1 1 1 15 3  9   o 18.060  0.9231 ?              ?         
1 1 1 15 3  10  f 42.380  1.1960 ?              ?         
1 1 1 15 3  11  o 41.190  1.0120 -0.9319000     2.024000  
1 1 1 15 3  12  o 20.270  0.8903 ?              ?         
1 1 1 15 3  13  o 35.270  0.9992 1.274000       1.998000  
1 1 1 15 3  14  o 34.610  0.9842 -1.415000      1.968000  
1 1 1 15 3  15  o 28.080  0.8171 -5.012000      1.634000  
1 1 1 15 3  16  o 41.450  1.1670 1.068000       2.335000  
1 1 1 15 3  17  o 19.690  0.6378 -7.453000      1.276000  
1 1 1 15 3  18  o 47.820  1.3500 0.7333000      2.699000  
1 1 1 15 3  19  o 46.000  1.3000 2.387000       2.599000  
1 1 1 15 3  20  o 43.150  1.2190 -1.477000      2.437000  
1 1 1 15 3  21  o 23.360  0.7246 1.764000       1.449000  
1 1 1 15 3  22  o 27.730  0.8223 -0.7223000     1.645000  
1 1 1 15 3  23  o 25.970  0.7900 -0.3610000E-01 1.580000  
1 1 1 15 3  24  o 29.800  0.8824 -1.055000      1.765000  
1 1 1 15 3  25  o 29.080  0.8726 0.8331000      1.745000  
1 1 1 15 3  26  o 32.040  0.9434 -0.7648000     1.887000  
1 1 1 15 3  27  o 21.270  0.9557 ?              ?         
1 1 1 15 3  28  o 31.320  0.7882 -1.646000      1.576000  
1 1 1 15 3  29  f 11.890  0.6832 6.137000       1.366000  
1 1 1 15 3  30  o 6.8680  0.9966 -2.792000      1.993000  
1 1 1 15 3  31  o 45.280  1.3120 -4.761000      2.623000  
1 1 1 15 3  32  o 12.880  0.9609 13.57000       1.922000  
1 1 1 15 3  33  o 24.610  0.6934 -2.624000      1.387000  
1 1 1 15 3  34  o 34.980  0.8998 0.9443000      1.800000  
1 1 1 15 3  35  o 31.740  0.8291 -3.396000      1.658000  
1 1 1 15 3  36  o 42.640  1.0860 2.102000       2.171000  
1 1 1 15 3  37  o 19.590  0.7554 6.721000       1.511000  
1 1 1 15 3  38  o 35.720  0.9208 -3.216000      1.842000  
1 1 1 15 3  39  o 18.370  0.7752 1.575000       1.550000  
1 1 1 15 3  40  o 14.650  0.8823 2.339000       1.765000  
1 1 1 15 3  41  o 11.690  1.0680 1.508000       2.135000  
1 1 1 15 3  42  f 7.3620  1.4450 3.557000       2.891000  
1 1 1 15 3  43  o 17.550  0.8736 0.2988000      1.747000  
1 1 1 15 3  44  o 19.260  1.0320 0.9857000      2.063000  
1 1 1 15 3  45  o 27.980  1.0200 -0.5551000E-01 2.039000  
1 1 1 15 3  46  o 12.300  1.5720 5.567000       3.144000  
1 1 1 15 3  47  o 7.5730  1.8640 -3.067000      3.727000  
1 1 1 15 3  48  o 15.220  1.2790 -0.9957000     2.559000  
1 1 1 15 3  49  o 14.200  1.3920 -1.803000      2.784000  
1 1 1 15 3  50  o 15.220  1.3480 0.5542000      2.696000  
1 1 1 15 3  51  o 14.940  1.3840 -1.862000      2.767000  
1 1 1 15 3  52  o 13.160  1.6280 2.636000       3.257000  
1 1 1 15 3  53  o 10.680  1.9010 1.229000       3.802000  
1 1 1 15 3  54  o 6.7770  1.9170 0.2811000      3.835000  
1 1 1 15 3  55  o 8.4250  1.8760 -6.164000      3.753000  
1 1 1 15 3  56  o 10.900  1.9640 -2.384000      3.928000  
1 1 1 15 3  57  o 11.410  2.0240 -0.1215000     4.048000  
1 1 1 15 3  58  o 14.610  3.0160 ?              ?         
1 1 1 15 3  59  o 7.2120  2.0830 -0.6785000     4.165000  
1 1 1 15 3  60  o 8.3360  2.1220 -5.229000      4.244000  
1 1 1 15 3  61  o 7.4410  2.1220 0.6159000      4.244000  
1 1 1 15 3  62  f 9.4550  2.2620 1.986000       4.525000  
1 1 1 15 3  63  o 8.7170  2.2420 2.010000       4.484000  
1 1 1 15 3  64  o 9.3800  2.3830 -1.325000      4.766000  
1 1 1 15 3  65  o 13.360  2.2520 -3.208000      4.503000  
1 1 1 15 3  66  o 5.5320  1.8630 0.1861000      3.727000  
1 1 1 15 3  67  o 7.0910  2.1740 1.699000       4.348000  
1 1 1 15 3  68  o 6.7560  2.0850 3.029000       4.171000  
1 1 1 15 3  69  o 6.0610  1.9860 1.213000       3.972000  
1 1 1 15 3  70  o 6.6010  2.0770 0.3332000      4.153000  
1 1 1 15 3  71  o 4.9660  1.7000 -0.4341000     3.400000  
1 1 1 15 3  72  o 6.5640  2.0600 -0.8997000     4.120000  
1 1 1 15 3  73  o 5.2950  1.7910 -1.330000      3.583000  
1 1 1 15 3  74  o 6.0070  1.9710 -1.480000      3.942000  
1 1 1 15 3  75  o 5.4370  1.8480 1.883000       3.697000  
1 1 1 15 3  76  o 6.0980  2.0170 -0.6422000     4.035000  
1 1 1 15 3  77  o 5.5670  1.8790 0.6085000E-01  3.757000  
1 1 1 15 3  78  o 4.6970  1.6300 -1.307000      3.260000  
1 1 1 15 3  79  f 4.3020  1.5180 -0.3316000     3.036000  
1 1 1 15 3  80  o 5.7960  1.8180 -1.739000      3.636000  
1 1 1 15 3  81  o 4.0590  1.3980 0.7069000      2.796000  
1 1 1 15 3  82  o 3.9120  1.9320 ?              ?         
1 1 1 15 4  0   o 14.340  0.6684 -0.000000      0.000000  
1 1 1 15 4  1   o 20.720  0.6721 14.89000       1.344000  
1 1 1 15 4  2   o 55.000  1.0920 1.632000       2.183000  
1 1 1 15 4  3   o 31.830  0.9227 ?              ?         
1 1 1 15 4  4   o 50.080  0.9993 3.377000       1.999000  
1 1 1 15 4  6   o 61.280  1.2250 3.168000       2.450000  
1 1 1 15 4  7   o 21.100  0.9972 ?              ?         
1 1 1 15 4  8   o 10.890  0.6431 ?              ?         
1 1 1 15 4  9   o 14.700  0.4624 1.591000       0.9248000 
1 1 1 15 4  10  o 23.100  0.5335 3.271000       1.067000  
1 1 1 15 4  11  o 26.850  0.8002 ?              ?         
1 1 1 15 4  12  o 26.520  0.5866 4.769000       1.173000  
1 1 1 15 4  13  o 13.770  0.5535 -3.895000      1.107000  
1 1 1 15 4  14  o 27.530  0.7152 -0.3817000     1.430000  
1 1 1 15 4  15  o 24.970  0.6700 -0.4036000     1.340000  
1 1 1 15 4  16  f 34.290  0.8586 -1.032000      1.717000  
1 1 1 15 4  17  o 28.740  0.7519 0.4989000E-01  1.504000  
1 1 1 15 4  18  o 16.260  0.5790 -2.293000      1.158000  
1 1 1 15 4  19  o 55.300  2.2100 ?              ?         
1 1 1 15 4  20  o 37.970  1.5200 ?              ?         
1 1 1 15 4  21  o 26.370  0.7094 -0.3821000     1.419000  
1 1 1 15 4  22  o 45.310  1.1250 0.7502000      2.251000  
1 1 1 15 4  23  o 29.320  0.7835 1.477000       1.567000  
1 1 1 15 4  24  o 25.950  0.7255 -0.1752000     1.451000  
1 1 1 15 4  25  o 35.830  0.9036 -3.183000      1.807000  
1 1 1 15 4  26  o 15.420  0.5086 1.503000       1.017000  
1 1 1 15 4  27  o 12.890  0.7111 -0.8232000     1.422000  
1 1 1 15 4  28  o 19.410  0.5458 2.135000       1.092000  
1 1 1 15 4  29  o 24.400  0.6444 -1.223000      1.289000  
1 1 1 15 4  30  o 11.370  0.8034 7.240000       1.607000  
1 1 1 15 4  31  o 18.640  0.6163 -0.9272000     1.233000  
1 1 1 15 4  32  o 31.300  0.7728 -1.528000      1.546000  
1 1 1 15 4  33  o 36.750  0.9391 1.151000       1.878000  
1 1 1 15 4  34  o 42.740  1.0720 -0.6562000     2.143000  
1 1 1 15 4  35  o 26.380  0.8028 8.867000       1.606000  
1 1 1 15 4  36  o 30.460  0.8101 -4.500000      1.620000  
1 1 1 15 4  37  f 24.290  0.7636 3.837000       1.527000  
1 1 1 15 4  38  o 34.290  0.9160 1.200000       1.832000  
1 1 1 15 4  39  o 8.4240  1.1810 7.328000       2.362000  
1 1 1 15 4  40  o 20.490  0.7577 -2.800000      1.515000  
1 1 1 15 4  41  o 26.400  0.8196 0.8412000      1.639000  
1 1 1 15 4  42  o 20.910  0.8237 -0.2226000E-01 1.647000  
1 1 1 15 4  43  o 17.970  0.8813 2.496000       1.763000  
1 1 1 15 4  44  o 15.520  0.9412 -2.806000      1.882000  
1 1 1 15 4  45  o 27.050  0.8587 -0.3742000     1.717000  
1 1 1 15 4  46  o 19.250  0.9130 0.4809000E-01  1.826000  
1 1 1 15 4  47  o 16.140  1.0530 3.811000       2.105000  
1 1 1 15 4  48  o 19.640  0.9407 -2.325000      1.881000  
1 1 1 15 4  49  o 14.480  1.1750 0.9821000      2.349000  
1 1 1 15 4  50  o 17.720  1.2190 -2.261000      2.438000  
1 1 1 15 4  51  o 21.700  1.1580 0.7361000      2.317000  
1 1 1 15 4  52  o 9.3400  1.9720 -2.933000      3.944000  
1 1 1 15 4  53  o 7.3290  1.8220 -5.648000      3.644000  
1 1 1 15 4  54  o 11.120  1.9240 0.7008000      3.847000  
1 1 1 15 4  55  o 5.6220  1.7920 -1.176000      3.585000  
1 1 1 15 4  56  o 7.0930  1.9620 0.2927000      3.924000  
1 1 1 15 4  57  o 8.4980  2.1000 -3.334000      4.200000  
1 1 1 15 4  58  o 9.3970  2.2120 -1.963000      4.424000  
1 1 1 15 4  59  o 11.620  2.1620 -0.4659000     4.324000  
1 1 1 15 4  60  o 5.9360  1.8630 1.627000       3.726000  
1 1 1 15 4  61  o 6.7210  2.0300 0.4564000      4.060000  
1 1 1 15 4  62  o 9.4450  2.1980 -0.3616000     4.397000  
1 1 1 15 4  63  o 8.3260  3.2400 ?              ?         
1 1 1 15 4  64  o 9.4110  3.3930 ?              ?         
1 1 1 15 4  65  o 6.7360  2.0710 -1.120000      4.143000  
1 1 1 15 4  66  o 6.6670  2.0940 -1.079000      4.188000  
1 1 1 15 4  67  o 7.9940  2.2320 2.061000       4.465000  
1 1 1 15 4  68  o 5.7380  1.9220 -2.960000      3.844000  
1 1 1 15 4  69  o 6.6700  2.1070 -0.4420000     4.214000  
1 1 1 15 4  70  o 6.2470  2.0050 0.7999000      4.011000  
1 1 1 15 4  71  f 6.5430  2.0760 -1.272000      4.152000  
1 1 1 15 4  72  o 5.4700  1.8180 -1.564000      3.636000  
1 1 1 15 4  73  o 5.7860  1.8990 1.556000       3.798000  
1 1 1 15 4  74  o 5.7430  1.8960 -0.2158000E-02 3.791000  
1 1 1 15 4  75  o 5.4410  1.8270 -0.8184000     3.655000  
1 1 1 15 4  76  o 4.8610  1.6930 -0.6799000     3.385000  
1 1 1 15 4  77  o 4.8950  1.6940 0.2822000      3.387000  
1 1 1 15 4  78  o 5.5630  1.8570 1.333000       3.715000  
1 1 1 15 4  79  o 5.2370  1.7530 -0.7502000     3.505000  
1 1 1 15 4  80  o 3.7490  1.3200 0.1521000      2.640000  
1 1 1 15 4  81  o 5.1070  1.6120 -0.7697000E-01 3.225000  
1 1 1 15 5  0   o 32.420  0.9504 0.000000       0.000000  
1 1 1 15 5  1   o 46.340  0.9222 0.8562000      1.844000  
1 1 1 15 5  2   f 35.280  0.7195 -2.466000      1.439000  
1 1 1 15 5  3   o 43.250  0.8648 3.580000       1.730000  
1 1 1 15 5  4   o 45.920  0.9176 1.025000       1.835000  
1 1 1 15 5  5   o 43.860  1.2560 ?              ?         
1 1 1 15 5  6   o 48.360  1.1080 ?              ?         
1 1 1 15 5  7   o 38.400  0.7173 -0.4401000     1.435000  
1 1 1 15 5  8   o 32.120  0.6715 0.8274000      1.343000  
1 1 1 15 5  9   o 21.000  0.6851 ?              ?         
1 1 1 15 5  10  o 27.800  0.6022 1.274000       1.204000  
1 1 1 15 5  11  o 38.540  1.0960 ?              ?         
1 1 1 15 5  12  o 26.710  0.8160 ?              ?         
1 1 1 15 5  13  o 60.410  1.6960 ?              ?         
1 1 1 15 5  15  o 22.770  0.5502 -0.4965000     1.100000  
1 1 1 15 5  16  o 30.060  0.7735 0.3440000      1.547000  
1 1 1 15 5  17  o 28.950  1.1890 ?              ?         
1 1 1 15 5  18  f 52.260  2.0870 ?              ?         
1 1 1 15 5  19  o 31.130  1.2650 ?              ?         
1 1 1 15 5  20  o 19.740  0.6292 1.364000       1.258000  
1 1 1 15 5  21  o 31.170  0.7979 -1.717000      1.596000  
1 1 1 15 5  22  f 36.650  0.9328 0.5784000      1.866000  
1 1 1 15 5  23  o 25.270  0.7212 0.8743000      1.442000  
1 1 1 15 5  24  o 34.740  0.8803 -2.489000      1.761000  
1 1 1 15 5  25  o 17.120  0.5913 11.73000       1.183000  
1 1 1 15 5  26  o 32.930  0.7787 -2.437000      1.557000  
1 1 1 15 5  27  o 25.770  0.6611 0.6566000      1.322000  
1 1 1 15 5  28  o 39.080  0.9605 -2.895000      1.921000  
1 1 1 15 5  29  o 32.950  0.7795 1.870000       1.559000  
1 1 1 15 5  30  o 21.720  0.5744 -3.397000      1.149000  
1 1 1 15 5  31  o 24.550  0.6545 4.752000       1.309000  
1 1 1 15 5  32  o 40.690  0.9414 -5.375000      1.883000  
1 1 1 15 5  33  o 23.960  0.7429 9.016000       1.486000  
1 1 1 15 5  34  o 10.280  0.9885 4.939000       1.977000  
1 1 1 15 5  35  o 24.690  0.6931 -4.414000      1.386000  
1 1 1 15 5  36  o 35.830  0.8988 1.466000       1.798000  
1 1 1 15 5  37  o 7.4400  1.2310 4.523000       2.463000  
1 1 1 15 5  38  o 21.790  0.7078 -1.471000      1.416000  
1 1 1 15 5  39  o 18.200  0.8097 5.748000       1.619000  
1 1 1 15 5  40  f 5.2640  1.4020 -2.615000      2.804000  
1 1 1 15 5  41  o 20.650  0.7625 -5.275000      1.525000  
1 1 1 15 5  42  o 23.400  0.7991 4.316000       1.598000  
1 1 1 15 5  43  o 36.730  0.9109 -6.732000      1.822000  
1 1 1 15 5  44  o 26.410  0.8572 6.722000       1.714000  
1 1 1 15 5  45  o 12.470  1.1960 3.850000       2.392000  
1 1 1 15 5  46  o 11.080  1.3090 -4.465000      2.618000  
1 1 1 15 5  47  o 28.750  0.8604 -1.549000      1.721000  
1 1 1 15 5  48  o 7.3950  1.5740 4.676000       3.147000  
1 1 1 15 5  49  o 9.8000  1.7420 -0.7722000     3.484000  
1 1 1 15 5  50  o 11.990  1.5830 -0.6069000     3.165000  
1 1 1 15 5  51  o 9.4580  1.8540 1.169000       3.707000  
1 1 1 15 5  52  o 7.0750  1.8840 0.1942000      3.767000  
1 1 1 15 5  53  o 22.460  1.0550 -2.217000      2.111000  
1 1 1 15 5  54  o 7.9680  1.9540 0.6464000      3.907000  
1 1 1 15 5  55  o 8.0730  1.8650 3.210000       3.731000  
1 1 1 15 5  56  o 16.620  2.0580 -1.521000      4.117000  
1 1 1 15 5  57  o 6.9340  2.0970 0.4063000      4.193000  
1 1 1 15 5  58  o 7.1500  2.1140 0.8903000      4.228000  
1 1 1 15 5  59  o 6.3720  2.1140 -3.230000      4.229000  
1 1 1 15 5  60  o 5.7400  1.9510 -2.286000      3.902000  
1 1 1 15 5  61  o 8.8360  2.2870 1.420000       4.574000  
1 1 1 15 5  62  o 8.3310  2.3120 -0.4823000E-01 4.624000  
1 1 1 15 5  63  o 6.6850  2.1080 -0.4929000     4.216000  
1 1 1 15 5  64  o 6.8490  2.1880 -2.831000      4.376000  
1 1 1 15 5  65  o 6.4370  2.0580 0.5406000E-01  4.115000  
1 1 1 15 5  66  o 6.2410  2.0140 0.4922000      4.029000  
1 1 1 15 5  67  o 7.0220  2.2280 -2.697000      4.457000  
1 1 1 15 5  68  o 5.6960  1.8470 2.023000       3.694000  
1 1 1 15 5  69  o 5.0410  2.5150 ?              ?         
1 1 1 15 5  70  o 6.5530  3.0700 ?              ?         
1 1 1 15 5  71  o 6.4160  2.0770 -0.3239000     4.155000  
1 1 1 15 5  72  o 5.5650  1.8750 0.6615000      3.751000  
1 1 1 15 5  73  o 5.3240  1.8050 1.167000       3.610000  
1 1 1 15 5  74  o 6.1320  1.8900 -1.940000      3.781000  
1 1 1 15 5  75  o 4.4010  1.5340 0.5759000      3.068000  
1 1 1 15 5  76  o 5.2780  1.7310 -0.5337000     3.462000  
1 1 1 15 5  77  o 5.8160  1.8180 -0.6308000     3.635000  
1 1 1 15 5  78  o 4.3100  1.4860 -0.2355000     2.971000  
1 1 1 15 5  79  o 4.5680  1.5330 0.5190000      3.065000  
1 1 1 15 5  80  o 3.3350  1.1720 0.5474000      2.344000  
1 1 1 15 5  81  o 3.9760  1.9590 ?              ?         
1 1 1 15 6  1   o 45.060  0.9004 -2.095000      1.801000  
1 1 1 15 6  3   o 48.130  0.9603 2.636000       1.921000  
1 1 1 15 6  4   o 40.830  1.1600 ?              ?         
1 1 1 15 6  5   o 25.640  0.5629 0.4818000E-01  1.126000  
1 1 1 15 6  6   o 46.290  1.0280 7.136000       2.055000  
1 1 1 15 6  7   f 33.370  0.6383 -1.858000      1.277000  
1 1 1 15 6  8   f 54.700  0.9946 0.5557000      1.989000  
1 1 1 15 6  9   o 48.920  0.8932 0.9383000      1.786000  
1 1 1 15 6  10  o 39.500  0.9179 ?              ?         
1 1 1 15 6  11  f 63.040  1.7640 ?              ?         
1 1 1 15 6  12  o 37.220  1.0780 ?              ?         
1 1 1 15 6  13  o 25.870  0.5974 1.112000       1.195000  
1 1 1 15 6  14  o 48.560  0.9765 3.560000       1.953000  
1 1 1 15 6  15  o 44.120  0.8956 1.095000       1.791000  
1 1 1 15 6  17  o 11.340  0.6059 -0.2720000     1.212000  
1 1 1 15 6  18  o 13.750  0.5670 -0.2494000     1.134000  
1 1 1 15 6  19  o 40.810  1.0190 0.4004000      2.038000  
1 1 1 15 6  20  o 25.100  1.0710 ?              ?         
1 1 1 15 6  21  o 20.440  0.6392 -1.086000      1.278000  
1 1 1 15 6  22  o 18.220  0.6491 3.123000       1.298000  
1 1 1 15 6  23  o 15.460  0.6443 0.2326000      1.289000  
1 1 1 15 6  24  o 10.350  0.5720 -0.8784000     1.144000  
1 1 1 15 6  25  f 30.750  0.7338 -2.258000      1.468000  
1 1 1 15 6  26  o 23.050  0.6372 3.517000       1.274000  
1 1 1 15 6  27  o 20.940  0.5845 -2.950000      1.169000  
1 1 1 15 6  28  o 45.030  1.0490 -1.214000      2.098000  
1 1 1 15 6  29  o 14.540  0.6201 8.755000       1.240000  
1 1 1 15 6  30  o 11.220  0.6456 2.347000       1.291000  
1 1 1 15 6  31  o 9.6350  0.7438 0.6636000E-01  1.488000  
1 1 1 15 6  32  o 18.640  0.6017 0.3916000E-01  1.203000  
1 1 1 15 6  33  o 12.930  0.9071 -5.071000      1.814000  
1 1 1 15 6  34  o 42.070  0.9961 -1.064000      1.992000  
1 1 1 15 6  35  o 18.260  0.9056 7.530000       1.811000  
1 1 1 15 6  36  o 18.190  0.8390 2.513000       1.678000  
1 1 1 15 6  37  o 18.250  0.8753 -0.2916000     1.751000  
1 1 1 15 6  38  o 19.660  0.9024 3.141000       1.805000  
1 1 1 15 6  39  o 7.8780  1.5780 0.8725000      3.156000  
1 1 1 15 6  40  o 38.930  1.0520 -0.3433000     2.103000  
1 1 1 15 6  41  o 14.490  1.1400 3.446000       2.281000  
1 1 1 15 6  42  o 13.190  1.2720 2.747000       2.545000  
1 1 1 15 6  43  o 10.850  1.4760 1.382000       2.953000  
1 1 1 15 6  44  f 15.480  1.1010 -4.385000      2.201000  
1 1 1 15 6  45  o 28.040  0.9549 0.8161000      1.910000  
1 1 1 15 6  46  o 15.140  1.1810 0.9654000      2.363000  
1 1 1 15 6  47  o 10.170  1.6810 1.500000       3.361000  
1 1 1 15 6  48  o 5.5010  1.6510 -1.979000      3.302000  
1 1 1 15 6  49  o 11.810  1.5410 1.809000       3.081000  
1 1 1 15 6  50  o 5.6540  1.6920 -0.5378000     3.384000  
1 1 1 15 6  51  o 8.5240  1.8510 -1.681000      3.702000  
1 1 1 15 6  52  o 15.680  1.2620 -3.157000      2.525000  
1 1 1 15 6  53  o 8.7290  1.8730 2.287000       3.746000  
1 1 1 15 6  54  o 10.840  1.7950 -6.129000      3.590000  
1 1 1 15 6  55  o 15.650  1.4320 0.6262000      2.864000  
1 1 1 15 6  56  o 15.970  1.5780 3.116000       3.156000  
1 1 1 15 6  57  o 6.3360  1.8660 1.572000       3.731000  
1 1 1 15 6  58  o 9.2400  1.9130 4.746000       3.826000  
1 1 1 15 6  59  o 6.5480  1.9240 -1.974000      3.848000  
1 1 1 15 6  60  f 7.1350  1.8240 4.279000       3.648000  
1 1 1 15 6  61  o 5.9960  1.8500 0.2736000      3.701000  
1 1 1 15 6  62  o 6.1690  2.0140 -1.001000      4.028000  
1 1 1 15 6  63  o 6.3520  2.0540 -0.3981000     4.108000  
1 1 1 15 6  64  o 5.4480  1.8690 -0.9834000     3.739000  
1 1 1 15 6  65  o 8.5030  2.4630 -4.313000      4.925000  
1 1 1 15 6  66  o 5.2840  1.8350 -0.8198000     3.669000  
1 1 1 15 6  67  o 8.9400  2.5060 -1.944000      5.011000  
1 1 1 15 6  68  o 6.7050  2.1510 -0.6045000     4.302000  
1 1 1 15 6  69  o 5.0470  1.7620 -1.060000      3.524000  
1 1 1 15 6  70  o 5.7700  1.9520 -1.170000      3.905000  
1 1 1 15 6  71  o 6.0820  2.0260 -1.453000      4.053000  
1 1 1 15 6  72  o 5.4460  1.8530 -0.5095000     3.707000  
1 1 1 15 6  73  o 5.0110  1.7250 0.1477000      3.451000  
1 1 1 15 6  74  o 6.2120  2.0450 -1.942000      4.091000  
1 1 1 15 6  75  o 5.3650  1.8190 -0.5768000     3.637000  
1 1 1 15 6  76  o 5.1050  2.5140 ?              ?         
1 1 1 15 6  77  o 5.6830  1.8480 1.091000       3.696000  
1 1 1 15 6  78  o 5.6020  1.8500 -1.710000      3.700000  
1 1 1 15 6  79  o 4.2050  1.4550 0.3874000      2.911000  
1 1 1 15 6  80  o 3.7260  1.8540 ?              ?         
1 1 1 15 7  0   o 89.220  2.4990 -0.000000      0.000000  
1 1 1 15 7  1   o 38.440  1.0960 ?              ?         
1 1 1 15 7  2   o 60.830  1.0970 0.4806000      2.193000  
1 1 1 15 7  3   o 38.940  1.1050 ?              ?         
1 1 1 15 7  4   o 24.940  0.7532 ?              ?         
1 1 1 15 7  5   o 37.150  0.8634 ?              ?         
1 1 1 15 7  6   o 27.290  0.6670 ?              ?         
1 1 1 15 7  7   o 39.580  0.7267 3.927000       1.453000  
1 1 1 15 7  8   o 20.750  0.4943 2.713000       0.9886000 
1 1 1 15 7  9   o 40.560  0.7592 -2.683000      1.518000  
1 1 1 15 7  10  o 29.060  0.6962 ?              ?         
1 1 1 15 7  11  o 41.860  0.7768 0.7974000      1.554000  
1 1 1 15 7  12  f 52.080  0.8489 -3.481000      1.698000  
1 1 1 15 7  13  f 29.070  0.6518 4.432000       1.304000  
1 1 1 15 7  14  o 51.220  0.9364 -0.7934000     1.873000  
1 1 1 15 7  15  o 16.660  0.8718 ?              ?         
1 1 1 15 7  16  o 12.750  0.5045 -2.077000      1.009000  
1 1 1 15 7  17  o 60.670  1.7100 ?              ?         
1 1 1 15 7  18  o 15.800  0.8397 ?              ?         
1 1 1 15 7  19  o 24.950  0.6041 1.069000       1.208000  
1 1 1 15 7  20  o 23.620  0.5132 1.974000       1.026000  
1 1 1 15 7  21  o 36.080  0.6821 -1.024000      1.364000  
1 1 1 15 7  22  o 28.570  0.7221 2.390000       1.444000  
1 1 1 15 7  23  o 30.900  0.7516 0.3348000      1.503000  
1 1 1 15 7  24  o 24.260  0.6432 2.348000       1.286000  
1 1 1 15 7  25  o 13.370  0.5574 1.024000       1.115000  
1 1 1 15 7  26  o 17.840  0.5696 -1.329000      1.139000  
1 1 1 15 7  27  o 22.650  0.6269 0.9457000E-01  1.254000  
1 1 1 15 7  28  o 22.800  0.6173 -1.995000      1.235000  
1 1 1 15 7  29  o 10.850  0.6603 4.862000       1.321000  
1 1 1 15 7  30  o 21.760  0.6202 -2.339000      1.240000  
1 1 1 15 7  31  o 22.070  0.6550 4.906000       1.310000  
1 1 1 15 7  32  f 34.150  0.8180 -3.840000      1.636000  
1 1 1 15 7  33  o 11.790  0.9042 13.63000       1.808000  
1 1 1 15 7  34  f 28.640  0.7443 -1.790000      1.489000  
1 1 1 15 7  35  o 16.200  0.6782 2.366000       1.356000  
1 1 1 15 7  36  o 27.220  0.7251 -3.923000      1.450000  
1 1 1 15 7  37  o 20.400  0.7030 4.986000       1.406000  
1 1 1 15 7  38  o 31.000  0.8872 -4.822000      1.774000  
1 1 1 15 7  39  o 18.270  0.9549 4.971000       1.910000  
1 1 1 15 7  40  o 16.430  1.0900 7.206000       2.180000  
1 1 1 15 7  41  o 14.800  1.0220 -2.552000      2.044000  
1 1 1 15 7  42  o 28.120  0.9057 -0.9110000     1.811000  
1 1 1 15 7  43  o 9.9670  1.5320 2.155000       3.065000  
1 1 1 15 7  44  o 9.5710  1.5950 2.109000       3.189000  
1 1 1 15 7  45  o 7.3120  1.6990 0.9945000      3.399000  
1 1 1 15 7  46  o 7.1340  1.6580 1.521000       3.317000  
1 1 1 15 7  47  o 10.790  1.5230 3.953000       3.047000  
1 1 1 15 7  48  o 6.2300  1.7290 -1.630000      3.459000  
1 1 1 15 7  49  o 6.3120  1.7490 -0.7855000     3.498000  
1 1 1 15 7  50  o 5.7580  1.6840 0.9801000      3.368000  
1 1 1 15 7  51  o 10.480  1.6500 3.525000       3.301000  
1 1 1 15 7  52  o 8.2530  1.8280 2.459000       3.656000  
1 1 1 15 7  53  o 7.4130  1.8930 -0.2897000E-01 3.786000  
1 1 1 15 7  54  o 22.490  1.1260 1.053000       2.252000  
1 1 1 15 7  55  o 8.2820  2.0160 -0.4083000     4.032000  
1 1 1 15 7  56  o 9.3220  2.0540 -0.8114000E-01 4.108000  
1 1 1 15 7  57  o 5.0530  1.6710 -0.2880000     3.342000  
1 1 1 15 7  58  f 10.850  1.9730 0.2440000      3.946000  
1 1 1 15 7  59  o 11.560  1.8750 -1.946000      3.749000  
1 1 1 15 7  60  o 13.400  1.7070 1.602000       3.413000  
1 1 1 15 7  61  f 5.9810  1.8520 -0.4624000     3.705000  
1 1 1 15 7  62  o 6.4830  1.9100 1.189000       3.821000  
1 1 1 15 7  63  o 6.3080  1.9370 -0.6399000     3.874000  
1 1 1 15 7  64  o 6.5170  1.9280 2.225000       3.856000  
1 1 1 15 7  65  o 8.0230  2.0840 -4.722000      4.168000  
1 1 1 15 7  66  o 6.9850  1.9490 4.273000       3.899000  
1 1 1 15 7  67  f 6.3380  2.0890 -2.222000      4.179000  
1 1 1 15 7  68  o 5.0940  1.7540 -0.5661000     3.507000  
1 1 1 15 7  69  o 5.9620  1.9700 -0.9213000     3.940000  
1 1 1 15 7  70  o 6.7660  2.0940 1.577000       4.188000  
1 1 1 15 7  71  o 4.8380  1.6820 -0.1870000     3.363000  
1 1 1 15 7  72  o 5.5480  1.8820 -0.6808000     3.764000  
1 1 1 15 7  73  o 6.5560  2.0880 0.2430000      4.175000  
1 1 1 15 7  74  o 4.5810  1.6260 -1.305000      3.252000  
1 1 1 15 7  75  o 5.3250  1.7990 0.2274000      3.597000  
1 1 1 15 7  76  o 5.7060  1.8940 -0.1939000     3.788000  
1 1 1 15 7  77  o 4.3100  1.5160 0.4943000E-01  3.031000  
1 1 1 15 7  78  o 4.6380  1.5720 -0.5789000E-01 3.144000  
1 1 1 15 7  79  o 4.2950  1.4580 1.131000       2.916000  
1 1 1 15 7  80  o 3.7370  1.8510 ?              ?         
1 1 1 15 8  0   o 63.910  1.2610 -0.000000      0.000000  
1 1 1 15 8  1   o 30.660  0.8994 ?              ?         
1 1 1 15 8  2   o 58.230  1.0150 -3.002000      2.029000  
1 1 1 15 8  3   o 33.120  0.6088 2.960000       1.218000  
1 1 1 15 8  4   f 42.040  0.6931 2.075000       1.386000  
1 1 1 15 8  5   o 47.250  0.7717 0.1213000      1.543000  
1 1 1 15 8  6   o 19.990  0.5150 4.186000       1.030000  
1 1 1 15 8  7   o 35.170  0.6601 0.1448000      1.320000  
1 1 1 15 8  8   o 48.620  0.7952 3.671000       1.590000  
1 1 1 15 8  9   o 23.780  0.5772 4.795000       1.154000  
1 1 1 15 8  10  o 18.700  0.5097 -0.9036000     1.019000  
1 1 1 15 8  11  o 30.920  0.6133 -1.543000      1.227000  
1 1 1 15 8  12  o 36.720  0.6165 -1.631000      1.233000  
1 1 1 15 8  13  o 32.510  0.5568 -1.012000      1.114000  
1 1 1 15 8  14  o 31.290  0.8088 -0.2894000     1.618000  
1 1 1 15 8  15  o 51.340  0.9370 -0.7093000     1.874000  
1 1 1 15 8  16  o 30.460  0.9749 ?              ?         
1 1 1 15 8  17  f 17.340  0.4757 3.169000       0.9513000 
1 1 1 15 8  18  o 20.060  0.4859 -3.092000      0.9718000 
1 1 1 15 8  19  o 19.030  0.4756 0.4339000      0.9511000 
1 1 1 15 8  20  o 21.810  0.5018 -1.994000      1.004000  
1 1 1 15 8  21  o 30.180  0.6010 1.981000       1.202000  
1 1 1 15 8  22  o 28.540  0.5868 -0.7112000     1.174000  
1 1 1 15 8  23  f 10.570  0.8544 ?              ?         
1 1 1 15 8  24  o 15.150  0.4883 0.6306000      0.9765000 
1 1 1 15 8  25  o 12.190  0.6088 0.5385000      1.218000  
1 1 1 15 8  26  o 12.460  0.6280 1.528000       1.256000  
1 1 1 15 8  27  o 31.220  0.7663 -1.423000      1.533000  
1 1 1 15 8  28  o 23.250  0.6499 1.410000       1.300000  
1 1 1 15 8  29  o 32.420  0.7848 -2.899000      1.570000  
1 1 1 15 8  30  o 19.500  0.6375 4.577000       1.275000  
1 1 1 15 8  31  o 12.990  0.6742 -0.3143000     1.348000  
1 1 1 15 8  32  o 7.0250  1.0700 3.382000       2.141000  
1 1 1 15 8  33  o 27.970  0.7406 -0.7685000     1.481000  
1 1 1 15 8  34  o 23.890  0.6983 2.970000       1.397000  
1 1 1 15 8  35  f 8.2690  1.0800 3.661000       2.160000  
1 1 1 15 8  36  o 16.250  0.6827 1.251000       1.365000  
1 1 1 15 8  37  o 9.6870  0.9243 0.3487000      1.849000  
1 1 1 15 8  38  o 17.670  0.6845 -0.6945000     1.369000  
1 1 1 15 8  39  o 21.160  0.6949 -3.789000      1.390000  
1 1 1 15 8  40  o 22.990  0.7368 5.042000       1.474000  
1 1 1 15 8  41  o 16.870  0.7713 -2.011000      1.543000  
1 1 1 15 8  42  o 14.280  1.1420 2.482000       2.284000  
1 1 1 15 8  43  o 18.460  0.9615 -1.041000      1.923000  
1 1 1 15 8  44  o 13.350  1.3330 4.337000       2.666000  
1 1 1 15 8  45  o 16.310  1.0550 -3.068000      2.109000  
1 1 1 15 8  46  o 19.890  0.9570 0.4465000      1.914000  
1 1 1 15 8  47  o 15.780  1.2020 4.431000       2.404000  
1 1 1 15 8  48  o 18.770  1.0440 2.389000       2.087000  
1 1 1 15 8  49  o 6.4140  1.7200 0.7698000      3.440000  
1 1 1 15 8  50  o 11.710  1.5810 2.303000       3.162000  
1 1 1 15 8  51  o 10.570  1.7400 0.5896000      3.479000  
1 1 1 15 8  52  o 16.870  1.1970 -4.174000      2.393000  
1 1 1 15 8  53  o 15.320  1.4850 3.062000       2.970000  
1 1 1 15 8  54  o 14.660  1.4260 -1.287000      2.852000  
1 1 1 15 8  55  f 6.2040  1.8330 -1.684000      3.667000  
1 1 1 15 8  56  o 10.620  1.9020 2.696000       3.804000  
1 1 1 15 8  57  o 6.6090  1.8670 1.439000       3.733000  
1 1 1 15 8  58  o 7.9730  2.0100 0.2195000      4.019000  
1 1 1 15 8  59  o 7.3850  2.0160 0.5963000      4.032000  
1 1 1 15 8  60  o 7.8470  2.1010 -1.556000      4.203000  
1 1 1 15 8  61  o 5.5620  1.7850 0.2257000      3.571000  
1 1 1 15 8  62  o 5.4800  1.7980 -1.417000      3.596000  
1 1 1 15 8  63  o 5.2750  1.7540 -1.675000      3.507000  
1 1 1 15 8  64  o 4.6840  1.6040 -0.6395000     3.207000  
1 1 1 15 8  65  o 5.8630  1.8670 -0.8702000     3.733000  
1 1 1 15 8  66  o 7.3150  2.0450 1.135000       4.090000  
1 1 1 15 8  67  o 5.9680  1.8820 0.2484000      3.764000  
1 1 1 15 8  68  o 4.7820  1.6260 0.6094000E-01  3.251000  
1 1 1 15 8  69  o 6.5360  1.9390 2.750000       3.879000  
1 1 1 15 8  70  f 5.2330  1.7270 0.6572000      3.455000  
1 1 1 15 8  71  o 5.4920  1.7620 2.142000       3.523000  
1 1 1 15 8  72  o 6.1720  1.9880 0.8138000      3.976000  
1 1 1 15 8  73  o 5.3200  1.8110 0.3385000      3.622000  
1 1 1 15 8  74  o 5.9080  1.9430 -0.2072000     3.886000  
1 1 1 15 8  75  o 5.7850  1.9160 0.1810000      3.832000  
1 1 1 15 8  76  o 5.8320  1.9050 1.182000       3.810000  
1 1 1 15 8  77  o 4.0810  1.4300 0.1525000      2.860000  
1 1 1 15 8  78  o 4.1910  1.4380 0.5320000      2.877000  
1 1 1 15 8  79  o 4.0630  1.9990 ?              ?         
1 1 1 15 9  0   o 26.840  0.6032 -0.000000      0.000000  
1 1 1 15 9  1   f 10.540  0.7313 -1.127000      1.463000  
1 1 1 15 9  2   f 26.880  0.4263 -0.5500000     0.8527000 
1 1 1 15 9  3   o 16.820  0.5976 5.789000       1.195000  
1 1 1 15 9  4   o 22.140  0.5224 0.1563000E-01  1.045000  
1 1 1 15 9  5   o 53.350  0.8140 0.5085000      1.628000  
1 1 1 15 9  6   o 31.430  0.6007 -0.2818000E-01 1.201000  
1 1 1 15 9  7   o 15.250  0.6042 4.301000       1.208000  
1 1 1 15 9  8   o 13.230  0.5814 -1.830000      1.163000  
1 1 1 15 9  9   o 46.280  0.8188 -1.016000      1.638000  
1 1 1 15 9  10  o 31.780  0.5671 0.2098000      1.134000  
1 1 1 15 9  11  o 29.770  0.6138 -2.755000      1.228000  
1 1 1 15 9  12  o 57.990  1.0270 -5.582000      2.053000  
1 1 1 15 9  13  o 54.160  0.8815 1.034000       1.763000  
1 1 1 15 9  14  o 28.330  0.5838 5.215000       1.168000  
1 1 1 15 9  15  f 19.640  0.5505 -3.507000      1.101000  
1 1 1 15 9  16  o 8.4350  0.8429 0.8709000      1.686000  
1 1 1 15 9  17  o 16.730  0.4835 -0.5707000     0.9670000 
1 1 1 15 9  18  o 17.370  0.5163 -0.3802000E-01 1.033000  
1 1 1 15 9  19  o 43.040  0.8080 1.626000       1.616000  
1 1 1 15 9  20  o 46.170  0.8518 -0.6347000     1.704000  
1 1 1 15 9  22  o 16.860  0.6870 ?              ?         
1 1 1 15 9  23  o 19.030  0.5049 -1.520000      1.010000  
1 1 1 15 9  24  o 32.230  0.8286 ?              ?         
1 1 1 15 9  25  o 14.250  0.8519 ?              ?         
1 1 1 15 9  26  o 37.000  0.7124 -0.3289000     1.425000  
1 1 1 15 9  27  o 25.040  0.5588 -0.5354000     1.118000  
1 1 1 15 9  28  o 16.030  0.8174 ?              ?         
1 1 1 15 9  29  o 22.810  0.6451 -2.141000      1.290000  
1 1 1 15 9  30  o 17.330  0.6252 1.376000       1.250000  
1 1 1 15 9  31  o 36.510  0.8770 -2.902000      1.754000  
1 1 1 15 9  32  o 18.850  0.8092 2.775000       1.618000  
1 1 1 15 9  33  o 17.120  0.6686 0.3683000      1.337000  
1 1 1 15 9  34  f 15.220  0.6895 0.6588000      1.379000  
1 1 1 15 9  35  f 15.400  0.6980 -1.723000      1.396000  
1 1 1 15 9  36  o 23.060  0.6919 -0.8562000     1.384000  
1 1 1 15 9  37  o 11.120  0.8804 6.000000       1.761000  
1 1 1 15 9  38  o 5.3700  1.2500 -1.053000      2.500000  
1 1 1 15 9  39  o 13.870  0.7515 0.6597000      1.503000  
1 1 1 15 9  40  o 15.460  0.7537 -2.537000      1.507000  
1 1 1 15 9  41  o 17.230  0.7429 3.165000       1.486000  
1 1 1 15 9  42  o 21.590  0.7494 -3.707000      1.499000  
1 1 1 15 9  43  o 16.270  0.7925 5.971000       1.585000  
1 1 1 15 9  44  o 6.3300  1.3870 2.554000       2.774000  
1 1 1 15 9  45  o 13.790  1.1550 0.3696000      2.309000  
1 1 1 15 9  46  o 13.990  1.1960 -0.7841000     2.392000  
1 1 1 15 9  47  o 12.520  1.3930 -5.812000      2.786000  
1 1 1 15 9  48  o 19.450  1.0480 -1.257000      2.096000  
1 1 1 15 9  49  o 10.250  1.5580 7.466000       3.117000  
1 1 1 15 9  50  o 15.850  1.2090 -4.833000      2.418000  
1 1 1 15 9  51  o 7.5510  1.7280 3.096000       3.457000  
1 1 1 15 9  52  o 8.1690  1.8930 -4.285000      3.785000  
1 1 1 15 9  53  o 6.2250  1.8310 -1.158000      3.662000  
1 1 1 15 9  54  o 7.7060  1.9410 0.6640000      3.883000  
1 1 1 15 9  55  o 6.7030  1.8810 -3.151000      3.761000  
1 1 1 15 9  56  o 13.010  1.7240 0.5938000      3.449000  
1 1 1 15 9  57  o 8.2550  1.9540 2.613000       3.909000  
1 1 1 15 9  58  o 11.690  1.8780 3.303000       3.757000  
1 1 1 15 9  59  o 17.170  1.4430 -1.706000      2.885000  
1 1 1 15 9  60  o 11.310  1.9550 4.814000       3.910000  
1 1 1 15 9  61  o 6.7210  1.9790 -0.5317000E-01 3.958000  
1 1 1 15 9  62  o 5.9020  1.8220 0.7481000      3.643000  
1 1 1 15 9  63  o 6.3160  1.9130 0.6055000      3.826000  
1 1 1 15 9  64  f 5.9370  1.8560 0.1382000      3.712000  
1 1 1 15 9  65  o 5.7100  1.8210 -0.7749000     3.642000  
1 1 1 15 9  66  o 7.7980  2.0430 -2.411000      4.086000  
1 1 1 15 9  67  o 11.390  1.9320 -3.173000      3.864000  
1 1 1 15 9  68  o 5.9700  1.8590 1.321000       3.718000  
1 1 1 15 9  69  o 6.0680  1.8960 1.242000       3.792000  
1 1 1 15 9  70  o 6.1990  1.9140 1.877000       3.827000  
1 1 1 15 9  71  o 5.5000  1.8000 0.2323000      3.600000  
1 1 1 15 9  72  o 5.6950  1.8210 -0.8087000     3.643000  
1 1 1 15 9  73  o 5.3970  1.7480 -0.4055000     3.495000  
1 1 1 15 9  74  o 4.2470  1.4760 0.2247000      2.952000  
1 1 1 15 9  75  o 4.1980  1.4600 0.4013000      2.919000  
1 1 1 15 9  76  o 4.7940  1.6140 -0.1017000     3.227000  
1 1 1 15 9  77  f 4.2220  1.4500 0.5461000      2.900000  
1 1 1 15 9  78  o 4.9190  2.3060 ?              ?         
1 1 1 15 10 0   o 34.150  0.7215 0.000000       0.000000  
1 1 1 15 10 1   o 29.130  0.4556 -0.5503000     0.9111000 
1 1 1 15 10 2   o 27.020  0.4366 0.7269000      0.8732000 
1 1 1 15 10 3   o 32.250  0.4882 0.2497000      0.9763000 
1 1 1 15 10 4   o 34.690  0.5161 -0.3707000     1.032000  
1 1 1 15 10 5   o 13.950  0.6302 3.269000       1.260000  
1 1 1 15 10 6   o 14.270  0.4525 0.1621000      0.9049000 
1 1 1 15 10 7   o 12.520  0.4640 -0.1725000     0.9280000 
1 1 1 15 10 8   o 25.360  0.6000 ?              ?         
1 1 1 15 10 9   o 29.040  0.4951 0.8063000E-01  0.9902000 
1 1 1 15 10 10  o 27.040  0.4789 1.213000       0.9578000 
1 1 1 15 10 11  o 28.590  0.4949 0.5123000      0.9898000 
1 1 1 15 10 12  o 43.940  0.6826 2.281000       1.365000  
1 1 1 15 10 13  o 16.780  0.6739 -5.797000      1.348000  
1 1 1 15 10 14  o 26.290  0.5510 -1.040000      1.102000  
1 1 1 15 10 15  o 23.330  0.4567 0.8461000      0.9134000 
1 1 1 15 10 16  o 25.010  0.4672 -0.4136000     0.9344000 
1 1 1 15 10 17  o 25.450  0.4779 0.8452000      0.9559000 
1 1 1 15 10 18  o 34.070  0.6113 -2.367000      1.223000  
1 1 1 15 10 19  o 19.570  0.5863 4.341000       1.173000  
1 1 1 15 10 20  f 23.610  0.5165 -4.505000      1.033000  
1 1 1 15 10 21  o 50.780  0.9452 2.314000       1.890000  
1 1 1 15 10 22  o 17.400  0.8759 ?              ?         
1 1 1 15 10 23  o 18.600  0.5209 -0.4408000E-01 1.042000  
1 1 1 15 10 24  o 17.350  0.5232 0.6429000      1.046000  
1 1 1 15 10 25  o 14.140  0.5544 -1.012000      1.109000  
1 1 1 15 10 26  o 27.500  0.7789 ?              ?         
1 1 1 15 10 27  o 22.600  0.5477 0.1148000E-02  1.095000  
1 1 1 15 10 28  o 36.190  0.9090 ?              ?         
1 1 1 15 10 29  o 28.610  0.8034 ?              ?         
1 1 1 15 10 30  o 20.590  0.5528 0.8185000      1.106000  
1 1 1 15 10 31  o 8.6230  0.7909 -0.4429000E-01 1.582000  
1 1 1 15 10 32  o 9.8640  0.8896 -0.1502000     1.779000  
1 1 1 15 10 33  o 10.060  0.8650 0.7051000      1.730000  
1 1 1 15 10 34  o 5.4020  1.1760 -1.684000      2.351000  
1 1 1 15 10 35  o 15.000  0.6922 2.918000       1.384000  
1 1 1 15 10 36  o 19.620  0.6790 -2.697000      1.358000  
1 1 1 15 10 37  o 9.2180  1.0010 2.381000       2.001000  
1 1 1 15 10 38  o 11.310  0.8746 1.181000       1.749000  
1 1 1 15 10 39  o 12.170  0.8503 0.5774000      1.701000  
1 1 1 15 10 40  o 19.260  0.7268 -0.2913000     1.454000  
1 1 1 15 10 41  o 6.0840  1.3030 3.714000       2.606000  
1 1 1 15 10 42  o 7.9570  1.2360 1.427000       2.472000  
1 1 1 15 10 43  o 8.8930  1.1730 -0.6614000     2.347000  
1 1 1 15 10 44  o 17.410  0.7859 -0.5099000     1.572000  
1 1 1 15 10 45  o 12.870  0.9497 -0.8325000E-01 1.899000  
1 1 1 15 10 46  o 6.6120  1.4070 -1.217000      2.813000  
1 1 1 15 10 47  o 22.690  0.7857 -0.3258000     1.571000  
1 1 1 15 10 48  o 13.760  0.9381 2.565000       1.876000  
1 1 1 15 10 49  o 11.300  1.6030 3.618000       3.206000  
1 1 1 15 10 50  o 9.5060  1.7690 3.020000       3.538000  
1 1 1 15 10 51  o 5.7580  1.7350 0.2139000      3.471000  
1 1 1 15 10 52  o 5.1350  1.6380 -0.2774000E-01 3.276000  
1 1 1 15 10 53  o 8.0200  1.9280 -0.1151000     3.855000  
1 1 1 15 10 54  f 7.4070  1.7980 2.897000       3.596000  
1 1 1 15 10 55  o 10.950  1.8800 -3.828000      3.759000  
1 1 1 15 10 56  o 13.010  1.7830 5.142000       3.566000  
1 1 1 15 10 57  o 6.5700  1.9250 -0.7525000     3.849000  
1 1 1 15 10 58  f 12.340  1.8960 -0.5218000     3.792000  
1 1 1 15 10 59  o 12.660  1.8720 -0.7409000     3.744000  
1 1 1 15 10 60  o 9.2030  2.0190 2.667000       4.039000  
1 1 1 15 10 61  o 9.6500  2.1390 -0.6304000     4.279000  
1 1 1 15 10 62  o 8.6980  2.0580 1.999000       4.115000  
1 1 1 15 10 63  o 4.6800  1.5750 0.4996000      3.151000  
1 1 1 15 10 64  o 6.6460  1.9220 -0.9770000     3.845000  
1 1 1 15 10 65  f 4.3900  1.5070 -0.4023000     3.015000  
1 1 1 15 10 66  o 8.9350  2.0630 1.534000       4.125000  
1 1 1 15 10 67  o 5.8240  1.8210 1.259000       3.641000  
1 1 1 15 10 68  o 6.5530  1.9810 -1.969000      3.961000  
1 1 1 15 10 69  o 5.1020  1.7040 0.3554000      3.408000  
1 1 1 15 10 70  o 6.1330  1.9000 -1.459000      3.799000  
1 1 1 15 10 71  o 4.8060  1.6060 -0.1794000     3.212000  
1 1 1 15 10 72  o 4.8870  1.6020 -1.819000      3.205000  
1 1 1 15 10 73  o 4.8180  1.6050 -0.7647000     3.210000  
1 1 1 15 10 74  o 4.7770  1.5790 -0.1707000     3.158000  
1 1 1 15 10 75  o 3.5560  1.2440 0.2468000      2.488000  
1 1 1 15 10 76  o 4.6240  1.5500 0.2387000      3.100000  
1 1 1 15 10 77  o 3.9030  1.9280 ?              ?         
1 1 1 15 11 0   o 19.530  0.8594 0.000000       0.000000  
1 1 1 15 11 1   o 27.380  0.4815 -0.2063000     0.9630000 
1 1 1 15 11 2   o 34.320  0.6016 -3.198000      1.203000  
1 1 1 15 11 3   o 73.850  1.0380 1.527000       2.076000  
1 1 1 15 11 4   o 52.090  0.8593 4.656000       1.719000  
1 1 1 15 11 5   o 27.810  0.6460 10.60000       1.292000  
1 1 1 15 11 6   o 22.370  0.4768 0.9933000      0.9535000 
1 1 1 15 11 7   f 47.000  0.8387 -3.841000      1.677000  
1 1 1 15 11 8   o 30.720  0.5252 1.711000       1.050000  
1 1 1 15 11 9   o 15.850  0.6234 6.161000       1.247000  
1 1 1 15 11 10  o 32.620  0.5411 0.2786000      1.082000  
1 1 1 15 11 11  o 17.500  0.5767 -1.100000      1.153000  
1 1 1 15 11 12  o 19.470  0.4375 0.3147000E-01  0.8749000 
1 1 1 15 11 13  o 25.220  0.4728 2.404000       0.9457000 
1 1 1 15 11 14  o 32.230  0.5426 0.5973000      1.085000  
1 1 1 15 11 15  o 27.560  0.4989 0.8440000      0.9977000 
1 1 1 15 11 16  o 29.480  0.5230 1.615000       1.046000  
1 1 1 15 11 17  o 30.090  0.5238 -1.917000      1.048000  
1 1 1 15 11 18  o 15.930  0.5621 1.649000       1.124000  
1 1 1 15 11 19  o 34.320  0.5749 -0.1977000     1.150000  
1 1 1 15 11 20  o 8.9860  1.1360 -5.209000      2.272000  
1 1 1 15 11 21  o 20.040  0.5689 -1.544000      1.138000  
1 1 1 15 11 22  o 18.330  0.5928 -0.4318000     1.186000  
1 1 1 15 11 23  o 23.810  0.5243 -0.4732000     1.049000  
1 1 1 15 11 24  o 13.320  0.5920 -3.309000      1.184000  
1 1 1 15 11 25  o 22.100  0.6423 4.827000       1.285000  
1 1 1 15 11 26  o 25.090  0.5550 -0.6458000     1.110000  
1 1 1 15 11 27  o 16.110  0.5511 0.9365000      1.102000  
1 1 1 15 11 28  o 28.350  0.6048 -0.5739000E-01 1.210000  
1 1 1 15 11 29  o 16.840  0.5510 0.2947000      1.102000  
1 1 1 15 11 30  o 17.550  0.5443 0.6018000      1.089000  
1 1 1 15 11 31  o 7.3120  0.9675 1.578000       1.935000  
1 1 1 15 11 32  o 9.2350  0.7901 -0.9969000E-01 1.580000  
1 1 1 15 11 33  o 4.1820  1.1460 0.1080000      2.292000  
1 1 1 15 11 34  o 11.690  0.6832 -0.9452000     1.366000  
1 1 1 15 11 35  f 20.470  0.6915 -0.3301000     1.383000  
1 1 1 15 11 36  o 14.770  0.7447 1.375000       1.489000  
1 1 1 15 11 37  o 17.960  0.7158 1.738000       1.432000  
1 1 1 15 11 38  o 28.940  0.7910 -1.178000      1.582000  
1 1 1 15 11 39  o 32.780  0.8719 1.220000       1.744000  
1 1 1 15 11 40  o 15.870  0.7656 4.809000       1.531000  
1 1 1 15 11 41  o 15.130  0.8147 -1.416000      1.629000  
1 1 1 15 11 42  f 16.910  0.7744 1.158000       1.549000  
1 1 1 15 11 43  o 16.530  0.7934 -1.446000      1.587000  
1 1 1 15 11 44  o 16.560  0.8150 1.326000       1.630000  
1 1 1 15 11 45  o 18.250  0.8302 -1.736000      1.660000  
1 1 1 15 11 46  f 28.090  0.8478 0.3609000      1.696000  
1 1 1 15 11 47  o 8.3010  1.3260 7.471000       2.651000  
1 1 1 15 11 48  o 9.3450  1.2750 -0.3275000E-02 2.550000  
1 1 1 15 11 49  o 8.5040  1.4030 1.865000       2.806000  
1 1 1 15 11 50  o 5.2690  1.4740 1.654000       2.948000  
1 1 1 15 11 51  o 7.9660  1.5270 0.5558000      3.053000  
1 1 1 15 11 52  o 7.3420  1.5280 -0.8313000     3.055000  
1 1 1 15 11 53  f 6.4050  1.7830 -4.555000      3.566000  
1 1 1 15 11 54  o 7.5880  1.9820 -1.490000      3.964000  
1 1 1 15 11 55  o 11.810  1.7290 -4.832000      3.459000  
1 1 1 15 11 56  o 16.730  1.4610 4.820000       2.921000  
1 1 1 15 11 57  o 8.0290  1.9880 0.3498000      3.977000  
1 1 1 15 11 58  o 7.9400  1.9950 0.7912000      3.990000  
1 1 1 15 11 59  o 6.2920  1.9140 -1.612000      3.828000  
1 1 1 15 11 60  o 7.8940  2.0700 -0.5754000     4.139000  
1 1 1 15 11 61  o 6.3630  1.8420 2.112000       3.684000  
1 1 1 15 11 62  o 6.3730  1.9020 -0.1166000     3.805000  
1 1 1 15 11 63  o 5.3610  1.7090 -2.503000      3.418000  
1 1 1 15 11 64  o 6.6580  1.9040 -0.5096000E-01 3.809000  
1 1 1 15 11 65  o 6.1620  1.8400 0.9383000      3.680000  
1 1 1 15 11 66  o 6.0240  1.8280 0.9184000      3.656000  
1 1 1 15 11 67  o 6.1420  1.8960 -1.373000      3.792000  
1 1 1 15 11 68  o 7.9170  2.0690 0.8411000      4.138000  
1 1 1 15 11 69  f 5.5550  1.7800 -0.6628000     3.561000  
1 1 1 15 11 70  o 5.8700  1.7640 2.597000       3.528000  
1 1 1 15 11 71  o 4.2430  1.4600 -0.5496000     2.919000  
1 1 1 15 11 72  o 5.3710  1.7300 0.6627000      3.461000  
1 1 1 15 11 73  o 3.9880  1.3740 0.4687000E-01  2.747000  
1 1 1 15 11 74  o 3.8120  1.2970 0.5864000E-01  2.594000  
1 1 1 15 11 75  o 4.7850  1.5740 -0.8688000     3.147000  
1 1 1 15 11 76  f 4.1200  2.0020 ?              ?         
1 1 1 15 12 0   o 22.680  0.7015 0.000000       0.000000  
1 1 1 15 12 1   o 32.520  0.5371 -1.448000      1.074000  
1 1 1 15 12 2   o 38.520  0.5655 -0.1375000     1.131000  
1 1 1 15 12 3   o 37.120  0.5978 0.5622000      1.196000  
1 1 1 15 12 4   o 35.410  0.5799 0.6839000E-01  1.160000  
1 1 1 15 12 5   o 43.890  0.6342 1.561000       1.268000  
1 1 1 15 12 6   o 34.110  0.6657 4.710000       1.331000  
1 1 1 15 12 7   o 9.5900  0.7895 4.771000       1.579000  
1 1 1 15 12 8   o 32.710  0.5053 1.175000       1.011000  
1 1 1 15 12 9   o 31.570  0.5355 3.137000       1.071000  
1 1 1 15 12 10  o 42.740  0.6744 -0.3178000     1.349000  
1 1 1 15 12 11  o 18.100  0.5857 6.308000       1.171000  
1 1 1 15 12 12  o 25.540  0.4802 -1.664000      0.9603000 
1 1 1 15 12 13  o 26.600  0.4931 -0.4107000     0.9863000 
1 1 1 15 12 14  f 36.690  0.6783 3.433000       1.357000  
1 1 1 15 12 15  o 58.250  0.8989 -2.050000      1.798000  
1 1 1 15 12 16  o 14.110  0.8032 -2.750000      1.606000  
1 1 1 15 12 17  o 18.580  0.4573 -1.082000      0.9146000 
1 1 1 15 12 18  o 15.590  0.4804 -0.8738000E-01 0.9608000 
1 1 1 15 12 19  o 5.5560  1.1460 -2.411000      2.293000  
1 1 1 15 12 20  o 17.910  0.4665 -0.5084000     0.9330000 
1 1 1 15 12 21  o 22.670  0.5220 1.817000       1.044000  
1 1 1 15 12 22  o 38.770  0.6871 -0.7408000     1.374000  
1 1 1 15 12 23  o 26.750  0.5612 1.255000       1.122000  
1 1 1 15 12 24  o 52.300  0.8803 -1.765000      1.761000  
1 1 1 15 12 25  o 9.1650  1.7840 ?              ?         
1 1 1 15 12 26  o 17.850  0.5439 -3.080000      1.088000  
1 1 1 15 12 27  o 31.950  0.6251 -0.3189000     1.250000  
1 1 1 15 12 28  o 26.320  0.6839 -2.329000      1.368000  
1 1 1 15 12 29  o 25.580  0.5801 -2.752000      1.160000  
1 1 1 15 12 30  o 20.810  0.5608 -0.4432000     1.122000  
1 1 1 15 12 31  o 19.790  0.5501 -0.1910000     1.100000  
1 1 1 15 12 32  o 13.440  0.6450 -1.430000      1.290000  
1 1 1 15 12 33  o 31.710  0.6274 -1.819000      1.255000  
1 1 1 15 12 34  o 17.570  0.7276 -3.172000      1.455000  
1 1 1 15 12 35  f 30.080  0.6506 -2.655000      1.301000  
1 1 1 15 12 36  o 5.7020  1.8420 ?              ?         
1 1 1 15 12 37  o 33.100  0.6993 -1.759000      1.399000  
1 1 1 15 12 38  o 22.360  1.0320 ?              ?         
1 1 1 15 12 39  o 9.1410  1.1820 4.896000       2.363000  
1 1 1 15 12 40  o 22.470  0.7714 -2.848000      1.543000  
1 1 1 15 12 41  o 11.520  0.9857 5.419000       1.971000  
1 1 1 15 12 42  o 9.6310  1.2670 -2.512000      2.533000  
1 1 1 15 12 43  o 5.5250  1.4710 1.714000       2.943000  
1 1 1 15 12 44  o 5.0240  1.3510 -1.115000      2.702000  
1 1 1 15 12 45  o 5.3740  1.4420 -0.1977000     2.885000  
1 1 1 15 12 46  o 9.0970  1.3390 -1.245000      2.677000  
1 1 1 15 12 47  f 19.140  0.8698 0.1246000      1.740000  
1 1 1 15 12 48  o 6.0230  1.5360 3.650000       3.072000  
1 1 1 15 12 49  o 9.1800  1.4500 0.8307000      2.900000  
1 1 1 15 12 50  f 9.1080  1.4600 -0.1130000     2.919000  
1 1 1 15 12 51  o 8.3470  1.4160 -3.136000      2.831000  
1 1 1 15 12 52  o 10.890  1.2290 -0.7977000E-01 2.459000  
1 1 1 15 12 53  o 6.2600  1.5060 3.917000       3.013000  
1 1 1 15 12 54  o 10.010  1.3970 -3.348000      2.795000  
1 1 1 15 12 55  o 5.8370  1.5720 0.5952000      3.145000  
1 1 1 15 12 56  o 3.9910  1.3330 1.266000       2.665000  
1 1 1 15 12 57  o 6.0290  1.8480 -1.587000      3.696000  
1 1 1 15 12 58  o 8.1100  1.9740 1.160000       3.947000  
1 1 1 15 12 59  o 8.2440  2.0210 -1.468000      4.041000  
1 1 1 15 12 60  o 6.7180  1.8290 2.329000       3.658000  
1 1 1 15 12 61  o 4.9550  1.6170 -0.5071000     3.235000  
1 1 1 15 12 62  o 5.3410  1.6820 0.9250000      3.363000  
1 1 1 15 12 63  o 5.0290  1.6350 0.4886000      3.270000  
1 1 1 15 12 64  o 5.7250  1.7760 0.6034000      3.553000  
1 1 1 15 12 65  o 6.5840  1.9240 -0.3378000     3.849000  
1 1 1 15 12 66  o 7.2360  2.0330 -1.202000      4.065000  
1 1 1 15 12 67  o 7.6640  2.0440 -0.2713000     4.089000  
1 1 1 15 12 68  o 5.7190  1.7790 -0.7377000     3.557000  
1 1 1 15 12 69  o 5.3630  1.7070 0.1322000      3.415000  
1 1 1 15 12 70  o 4.6710  1.5560 -0.8283000     3.112000  
1 1 1 15 12 71  o 5.9730  1.7930 0.4208000      3.586000  
1 1 1 15 12 72  o 4.3000  1.4350 0.5013000      2.869000  
1 1 1 15 12 73  o 3.7750  1.3000 1.583000       2.599000  
1 1 1 15 12 74  o 3.9600  1.9330 ?              ?         
1 1 1 15 12 75  o 3.2070  1.6240 ?              ?         
1 1 1 15 13 0   o 8.4090  1.1980 -0.000000      0.000000  
1 1 1 15 13 1   o 18.200  0.4078 -0.2524000     0.8157000 
1 1 1 15 13 2   o 13.400  0.4507 -0.8904000     0.9015000 
1 1 1 15 13 3   o 5.9410  0.8958 0.8908000      1.792000  
1 1 1 15 13 4   o 7.8320  0.7531 0.3053000      1.506000  
1 1 1 15 13 5   f 18.600  0.4542 0.2034000      0.9085000 
1 1 1 15 13 6   o 17.780  0.5047 0.8990000      1.009000  
1 1 1 15 13 7   o 27.690  0.4977 -1.307000      0.9955000 
1 1 1 15 13 8   o 9.9070  0.8253 5.877000       1.651000  
1 1 1 15 13 9   o 11.300  0.5620 -0.5817000     1.124000  
1 1 1 15 13 10  o 23.770  0.4728 2.561000       0.9457000 
1 1 1 15 13 11  o 28.680  0.5140 -0.1204000     1.028000  
1 1 1 15 13 12  o 19.260  0.5228 3.605000       1.046000  
1 1 1 15 13 13  o 34.750  0.5772 0.1340000      1.154000  
1 1 1 15 13 14  f 25.030  0.4951 -1.464000      0.9903000 
1 1 1 15 13 15  o 17.980  0.4936 2.881000       0.9873000 
1 1 1 15 13 16  o 11.860  0.8396 4.480000       1.679000  
1 1 1 15 13 17  o 36.770  0.6061 2.551000       1.212000  
1 1 1 15 13 18  o 20.490  0.6031 -4.666000      1.206000  
1 1 1 15 13 19  f 27.110  0.5064 -0.9432000     1.013000  
1 1 1 15 13 20  f 38.290  0.6291 -1.234000      1.258000  
1 1 1 15 13 21  o 12.220  0.7259 -5.041000      1.452000  
1 1 1 15 13 22  o 19.280  0.4854 0.4315000      0.9707000 
1 1 1 15 13 23  o 32.280  0.6182 0.3349000      1.236000  
1 1 1 15 13 24  o 26.230  0.6864 -2.551000      1.373000  
1 1 1 15 13 25  o 11.620  0.9127 -2.764000      1.825000  
1 1 1 15 13 26  o 16.590  0.5774 -1.938000      1.155000  
1 1 1 15 13 27  o 21.860  0.6119 -1.026000      1.224000  
1 1 1 15 13 28  o 15.890  0.7044 3.416000       1.409000  
1 1 1 15 13 29  o 5.8700  0.9936 -4.920000      1.987000  
1 1 1 15 13 30  o 14.670  0.6185 0.1975000      1.237000  
1 1 1 15 13 31  o 7.3320  1.0530 -0.5589000     2.105000  
1 1 1 15 13 32  f 11.450  0.7410 -0.7857000     1.482000  
1 1 1 15 13 33  o 16.170  0.6209 -1.541000      1.242000  
1 1 1 15 13 34  o 8.5130  1.0040 0.1894000      2.008000  
1 1 1 15 13 35  o 16.290  0.6101 0.4057000      1.220000  
1 1 1 15 13 36  o 6.2590  1.2250 0.3365000      2.451000  
1 1 1 15 13 37  o 6.0330  1.2000 -2.787000      2.399000  
1 1 1 15 13 38  o 12.570  0.7633 0.7144000      1.527000  
1 1 1 15 13 39  o 9.5180  0.9377 -0.3020000E-01 1.875000  
1 1 1 15 13 40  o 19.950  0.6120 -0.6878000     1.224000  
1 1 1 15 13 41  f 5.1870  1.2980 1.794000       2.595000  
1 1 1 15 13 42  o 20.090  0.6334 -1.433000      1.267000  
1 1 1 15 13 43  o 18.280  0.8714 2.517000       1.743000  
1 1 1 15 13 44  o 6.4720  1.5410 1.302000       3.082000  
1 1 1 15 13 45  o 14.520  0.9957 -0.6136000     1.991000  
1 1 1 15 13 46  o 6.2790  1.5160 2.384000       3.033000  
1 1 1 15 13 47  o 6.3320  1.4500 -0.9309000     2.901000  
1 1 1 15 13 48  o 4.9410  1.4310 1.520000       2.862000  
1 1 1 15 13 49  o 4.9100  1.3800 -0.7479000     2.759000  
1 1 1 15 13 50  o 11.750  1.1960 -0.7428000     2.391000  
1 1 1 15 13 51  f 7.1650  1.5660 0.9392000      3.133000  
1 1 1 15 13 52  o 4.2410  1.3560 1.218000       2.713000  
1 1 1 15 13 53  o 8.9980  1.4150 2.371000       2.830000  
1 1 1 15 13 54  o 8.1770  1.4810 4.521000       2.963000  
1 1 1 15 13 55  o 5.0700  1.3280 -2.539000      2.656000  
1 1 1 15 13 56  o 4.5930  1.4390 1.595000       2.879000  
1 1 1 15 13 57  f 5.7590  1.5330 -0.7451000     3.065000  
1 1 1 15 13 58  o 5.2280  1.4950 -0.7080000     2.990000  
1 1 1 15 13 59  o 5.9970  1.5710 -0.4558000     3.141000  
1 1 1 15 13 60  o 4.6700  1.4020 -0.9254000     2.803000  
1 1 1 15 13 61  o 3.7680  1.2610 0.3398000      2.521000  
1 1 1 15 13 62  o 5.0060  1.6420 -1.794000      3.284000  
1 1 1 15 13 63  o 4.5600  1.5320 0.2747000      3.063000  
1 1 1 15 13 64  o 5.7960  1.8010 0.1526000      3.601000  
1 1 1 15 13 65  o 5.0950  1.6770 -0.7143000     3.354000  
1 1 1 15 13 66  o 6.5880  1.9240 -0.9246000     3.848000  
1 1 1 15 13 67  o 4.7480  1.5780 0.4761000      3.155000  
1 1 1 15 13 68  o 4.7680  1.5820 0.4624000      3.164000  
1 1 1 15 13 69  o 3.8710  1.3480 -1.176000      2.695000  
1 1 1 15 13 70  o 3.6430  1.2770 -0.3999000     2.553000  
1 1 1 15 13 71  o 4.0750  1.3750 0.5191000      2.751000  
1 1 1 15 13 72  o 4.7700  1.5000 -0.9729000     3.000000  
1 1 1 15 13 73  o 4.3590  2.0830 ?              ?         
1 1 1 15 14 0   o 17.800  0.6123 0.000000       0.000000  
1 1 1 15 14 1   o 18.450  0.4288 0.9904000E-01  0.8575000 
1 1 1 15 14 2   o 18.590  0.4298 0.9960000      0.8595000 
1 1 1 15 14 3   o 14.900  0.4451 0.1365000      0.8902000 
1 1 1 15 14 4   o 16.770  0.4360 0.5446000      0.8719000 
1 1 1 15 14 5   o 17.800  0.4306 1.408000       0.8613000 
1 1 1 15 14 6   o 16.930  0.5291 1.736000       1.058000  
1 1 1 15 14 7   o 29.580  0.6454 -4.931000      1.291000  
1 1 1 15 14 8   o 46.030  0.6677 -0.2117000     1.335000  
1 1 1 15 14 9   o 11.840  0.7806 3.296000       1.561000  
1 1 1 15 14 10  o 15.230  0.4885 -1.487000      0.9770000 
1 1 1 15 14 11  o 6.8200  0.9485 2.432000       1.897000  
1 1 1 15 14 12  o 7.9350  0.8744 1.568000       1.749000  
1 1 1 15 14 13  o 17.370  0.4909 1.936000       0.9818000 
1 1 1 15 14 14  o 5.6490  1.0210 3.590000       2.041000  
1 1 1 15 14 15  o 11.080  0.6148 -1.899000      1.230000  
1 1 1 15 14 16  o 22.500  0.4868 -0.2524000     0.9736000 
1 1 1 15 14 17  o 14.810  0.5376 0.4675000      1.075000  
1 1 1 15 14 18  o 10.220  0.6655 -2.479000      1.331000  
1 1 1 15 14 19  f 13.690  0.5584 0.6839000      1.117000  
1 1 1 15 14 20  o 7.6560  0.8976 -2.346000      1.795000  
1 1 1 15 14 21  o 7.4370  0.9504 1.364000       1.901000  
1 1 1 15 14 22  o 6.2740  1.0370 1.132000       2.074000  
1 1 1 15 14 23  o 11.260  0.6471 0.9013000      1.294000  
1 1 1 15 14 24  o 5.2380  1.1900 -1.858000      2.381000  
1 1 1 15 14 25  o 4.5420  1.2150 -0.3065000     2.429000  
1 1 1 15 14 26  o 10.510  0.8296 -3.619000      1.659000  
1 1 1 15 14 27  o 24.790  0.5776 0.7370000      1.155000  
1 1 1 15 14 28  o 10.460  1.0960 -5.119000      2.193000  
1 1 1 15 14 29  o 10.430  0.8129 -0.3606000     1.626000  
1 1 1 15 14 30  o 8.8070  0.9426 0.3260000      1.885000  
1 1 1 15 14 31  o 18.020  0.6177 -0.6286000     1.235000  
1 1 1 15 14 32  o 6.3210  1.2440 -0.3869000     2.489000  
1 1 1 15 14 33  o 12.660  0.7427 -1.004000      1.485000  
1 1 1 15 14 34  o 6.9570  1.1630 3.746000       2.326000  
1 1 1 15 14 35  o 4.3540  1.2480 -0.9221000     2.496000  
1 1 1 15 14 36  o 15.770  0.6835 1.005000       1.367000  
1 1 1 15 14 37  o 19.430  0.6298 2.022000       1.260000  
1 1 1 15 14 38  o 25.990  0.6408 -1.747000      1.282000  
1 1 1 15 14 39  o 20.140  0.6426 -0.5987000     1.285000  
1 1 1 15 14 40  o 9.1690  1.0700 3.259000       2.139000  
1 1 1 15 14 41  o 12.610  0.7690 0.8299000      1.538000  
1 1 1 15 14 42  o 23.790  0.6275 -1.502000      1.255000  
1 1 1 15 14 43  o 7.3520  1.2870 -3.989000      2.574000  
1 1 1 15 14 44  o 23.550  0.6440 0.3880000      1.288000  
1 1 1 15 14 45  o 6.1140  1.2450 -3.651000      2.491000  
1 1 1 15 14 46  o 12.600  0.8027 0.1547000E-01  1.605000  
1 1 1 15 14 47  o 16.030  0.8874 1.772000       1.775000  
1 1 1 15 14 48  o 9.1920  1.3180 3.086000       2.635000  
1 1 1 15 14 49  o 7.6590  1.4780 0.4669000      2.956000  
1 1 1 15 14 50  o 10.420  1.2850 -1.636000      2.569000  
1 1 1 15 14 51  o 4.7900  1.4270 2.694000       2.855000  
1 1 1 15 14 52  o 6.7320  1.4910 -1.423000      2.982000  
1 1 1 15 14 53  o 4.7700  1.4670 2.308000       2.934000  
1 1 1 15 14 54  o 4.5560  1.3810 -0.4103000     2.763000  
1 1 1 15 14 55  o 8.0870  1.4960 -0.3959000E-01 2.993000  
1 1 1 15 14 56  o 3.9300  1.2800 0.3153000      2.560000  
1 1 1 15 14 57  o 4.4220  1.3760 -0.2611000     2.752000  
1 1 1 15 14 58  f 4.1480  1.3290 0.2165000      2.657000  
1 1 1 15 14 59  o 5.2810  1.5280 1.938000       3.056000  
1 1 1 15 14 60  o 5.0100  1.5010 1.202000       3.002000  
1 1 1 15 14 61  f 4.9070  1.4800 0.1959000      2.960000  
1 1 1 15 14 62  o 5.1050  1.5420 0.8112000      3.085000  
1 1 1 15 14 63  o 4.8740  1.5210 1.051000       3.043000  
1 1 1 15 14 64  o 4.5200  1.4230 0.1170000      2.847000  
1 1 1 15 14 65  o 4.2370  1.3860 0.9748000      2.773000  
1 1 1 15 14 66  o 5.1690  1.6780 -0.2073000     3.357000  
1 1 1 15 14 67  o 4.2820  1.4650 0.5048000E-01  2.931000  
1 1 1 15 14 68  o 4.0500  1.3850 -0.3235000     2.769000  
1 1 1 15 14 69  o 4.9180  1.5580 0.1795000      3.116000  
1 1 1 15 14 70  f 4.6200  1.4860 -0.5642000     2.971000  
1 1 1 15 14 71  o 4.0550  1.9600 ?              ?         
1 1 1 15 15 0   o 28.090  0.6720 0.000000       0.000000  
1 1 1 15 15 1   o 28.000  0.4665 -0.3837000     0.9330000 
1 1 1 15 15 2   o 20.780  0.5132 -0.4004000E-01 1.026000  
1 1 1 15 15 3   o 20.470  0.4724 -2.297000      0.9448000 
1 1 1 15 15 4   f 12.640  0.5058 0.8818000      1.012000  
1 1 1 15 15 5   o 16.360  0.4906 -1.794000      0.9811000 
1 1 1 15 15 6   o 23.890  0.5327 -2.215000      1.065000  
1 1 1 15 15 7   o 38.390  0.7587 7.697000       1.517000  
1 1 1 15 15 8   f 53.960  0.7748 1.145000       1.550000  
1 1 1 15 15 9   o 26.170  0.6503 -1.906000      1.301000  
1 1 1 15 15 10  o 24.960  0.4584 -0.4347000     0.9168000 
1 1 1 15 15 11  o 12.440  0.6089 3.246000       1.218000  
1 1 1 15 15 12  o 16.480  0.4587 1.171000       0.9175000 
1 1 1 15 15 13  o 12.650  0.8231 4.786000       1.646000  
1 1 1 15 15 14  o 22.660  0.4851 -0.1914000E-01 0.9702000 
1 1 1 15 15 15  o 18.020  0.4919 -1.517000      0.9837000 
1 1 1 15 15 16  o 6.3340  1.0630 -2.168000      2.126000  
1 1 1 15 15 17  o 11.030  0.6483 0.1882000      1.297000  
1 1 1 15 15 18  o 15.290  0.5256 -0.4325000E-01 1.051000  
1 1 1 15 15 19  o 19.220  0.5004 0.4454000      1.001000  
1 1 1 15 15 20  f 4.4800  1.2440 -1.343000      2.488000  
1 1 1 15 15 21  o 9.5680  0.7672 0.5326000      1.534000  
1 1 1 15 15 22  o 21.150  0.5109 1.360000       1.022000  
1 1 1 15 15 23  o 12.370  0.6065 -1.446000      1.213000  
1 1 1 15 15 24  o 7.0890  1.0180 0.1007000      2.035000  
1 1 1 15 15 25  o 13.570  0.6098 0.1032000      1.220000  
1 1 1 15 15 26  f 12.330  0.7437 -0.2699000     1.487000  
1 1 1 15 15 27  f 6.2580  1.2630 1.411000       2.525000  
1 1 1 15 15 28  o 15.830  0.9449 3.619000       1.890000  
1 1 1 15 15 29  o 19.880  0.6184 0.7142000      1.237000  
1 1 1 15 15 30  o 11.070  0.9072 3.006000       1.814000  
1 1 1 15 15 31  o 11.200  0.8577 -1.476000      1.715000  
1 1 1 15 15 32  o 16.790  0.6642 -1.112000      1.328000  
1 1 1 15 15 33  o 6.7680  1.2450 -1.622000      2.491000  
1 1 1 15 15 34  o 8.9300  1.0670 -0.9402000     2.134000  
1 1 1 15 15 35  o 21.510  0.6281 0.6899000      1.256000  
1 1 1 15 15 36  o 11.850  0.8139 -0.7839000     1.628000  
1 1 1 15 15 37  o 18.300  0.6325 0.2298000      1.265000  
1 1 1 15 15 38  o 5.9840  1.2560 2.187000       2.512000  
1 1 1 15 15 39  o 11.120  0.8478 -2.670000      1.696000  
1 1 1 15 15 40  o 5.3790  1.3100 0.6452000      2.621000  
1 1 1 15 15 41  o 16.100  0.6633 1.001000       1.327000  
1 1 1 15 15 42  o 12.210  0.7969 -0.2683000     1.594000  
1 1 1 15 15 43  o 12.520  0.7833 0.4238000      1.567000  
1 1 1 15 15 44  o 12.460  0.7989 0.5910000      1.598000  
1 1 1 15 15 45  o 12.580  0.7862 0.4527000      1.572000  
1 1 1 15 15 46  o 6.6530  1.2830 0.4122000      2.565000  
1 1 1 15 15 47  o 8.5420  1.1080 0.8311000      2.216000  
1 1 1 15 15 48  o 4.8110  1.2700 2.464000       2.540000  
1 1 1 15 15 49  o 5.6430  1.3510 0.2419000      2.702000  
1 1 1 15 15 50  o 8.2400  1.1540 -0.5840000     2.308000  
1 1 1 15 15 51  o 10.350  1.3380 -3.675000      2.676000  
1 1 1 15 15 52  o 4.8400  1.4400 1.619000       2.880000  
1 1 1 15 15 53  o 13.040  1.0730 -0.5200000     2.146000  
1 1 1 15 15 54  o 5.1240  1.4530 -0.2557000     2.905000  
1 1 1 15 15 55  o 4.4950  1.3970 0.6611000      2.794000  
1 1 1 15 15 56  f 6.4000  1.5560 -0.4056000     3.112000  
1 1 1 15 15 57  f 6.4730  1.5760 0.7946000      3.152000  
1 1 1 15 15 58  o 4.7640  1.3890 -0.8041000     2.778000  
1 1 1 15 15 59  o 5.0390  1.4910 2.072000       2.981000  
1 1 1 15 15 60  o 5.2480  1.3390 -2.698000      2.678000  
1 1 1 15 15 61  o 5.9970  1.5970 -0.2274000     3.194000  
1 1 1 15 15 62  o 5.5430  1.5810 0.6800000      3.163000  
1 1 1 15 15 63  o 4.4370  1.4520 2.367000       2.905000  
1 1 1 15 15 64  o 4.1790  1.3570 -0.1043000     2.713000  
1 1 1 15 15 65  o 4.1300  1.3940 1.732000       2.788000  
1 1 1 15 15 66  o 4.1150  1.3330 -0.3522000     2.666000  
1 1 1 15 15 67  o 5.6980  1.4350 -2.435000      2.870000  
1 1 1 15 15 68  o 4.0280  1.3190 0.2946000      2.638000  
1 1 1 15 15 69  o 4.5650  2.1260 ?              ?         
1 1 1 15 16 0   o 17.550  0.6189 -0.000000      0.000000  
1 1 1 15 16 1   o 16.560  0.4450 0.6407000      0.8899000 
1 1 1 15 16 2   f 14.390  0.5218 -1.319000      1.044000  
1 1 1 15 16 3   o 13.450  0.7864 -0.6141000     1.573000  
1 1 1 15 16 4   o 40.900  0.6593 -1.514000      1.319000  
1 1 1 15 16 5   o 28.580  0.5972 1.627000       1.194000  
1 1 1 15 16 6   o 33.210  0.5198 0.2199000      1.040000  
1 1 1 15 16 7   o 24.850  0.5924 2.072000       1.185000  
1 1 1 15 16 8   o 19.340  0.4497 -0.7852000     0.8995000 
1 1 1 15 16 9   o 15.360  0.6154 -4.002000      1.231000  
1 1 1 15 16 10  o 34.210  0.5810 -2.309000      1.162000  
1 1 1 15 16 11  o 16.650  0.5253 4.729000       1.051000  
1 1 1 15 16 12  o 21.200  0.4482 -0.9944000     0.8964000 
1 1 1 15 16 13  o 10.170  0.7430 0.1812000      1.486000  
1 1 1 15 16 14  o 10.710  0.5957 0.8078000      1.191000  
1 1 1 15 16 15  o 18.890  0.5060 1.822000       1.012000  
1 1 1 15 16 16  o 20.160  0.5756 -0.4063000     1.151000  
1 1 1 15 16 17  o 15.580  0.5341 0.7117000      1.068000  
1 1 1 15 16 18  o 11.590  0.6381 0.1941000      1.276000  
1 1 1 15 16 19  o 14.170  0.5720 -0.1747000     1.144000  
1 1 1 15 16 20  o 6.6090  1.0820 -0.5898000     2.164000  
1 1 1 15 16 21  o 11.050  0.6748 0.3863000      1.350000  
1 1 1 15 16 22  o 14.450  0.5704 -1.430000      1.141000  
1 1 1 15 16 23  o 25.860  0.6112 -0.2439000     1.222000  
1 1 1 15 16 24  o 7.8970  1.1390 -0.4975000     2.278000  
1 1 1 15 16 25  f 12.690  0.6268 -1.244000      1.254000  
1 1 1 15 16 26  o 14.730  0.5912 -0.1411000     1.182000  
1 1 1 15 16 27  o 6.7290  1.1970 -2.351000      2.393000  
1 1 1 15 16 28  o 5.2820  1.2130 -2.753000      2.426000  
1 1 1 15 16 29  o 11.910  0.7865 -1.299000      1.573000  
1 1 1 15 16 30  o 8.1610  1.1020 -0.7441000     2.204000  
1 1 1 15 16 31  o 6.5440  1.2590 -1.676000      2.517000  
1 1 1 15 16 32  o 6.1750  1.2970 -1.446000      2.594000  
1 1 1 15 16 33  o 28.690  0.6335 -0.5514000     1.267000  
1 1 1 15 16 34  o 7.1200  1.3960 1.120000       2.791000  
1 1 1 15 16 35  o 8.3960  1.0670 -0.3230000     2.134000  
1 1 1 15 16 36  o 4.5650  1.2570 -1.006000      2.514000  
1 1 1 15 16 37  o 6.9930  1.2530 0.2354000      2.507000  
1 1 1 15 16 38  o 11.320  0.8619 0.6686000      1.724000  
1 1 1 15 16 39  o 10.160  0.9030 -0.3740000     1.806000  
1 1 1 15 16 40  o 3.9980  1.2010 -0.4255000     2.401000  
1 1 1 15 16 41  o 8.0660  1.1410 -0.1523000     2.282000  
1 1 1 15 16 42  o 7.2470  1.1350 5.209000       2.269000  
1 1 1 15 16 43  o 13.080  0.7722 -0.9711000     1.544000  
1 1 1 15 16 44  o 5.1540  1.2980 0.9413000      2.596000  
1 1 1 15 16 45  o 4.1040  1.2220 0.7160000      2.444000  
1 1 1 15 16 46  o 7.6060  1.2260 1.353000       2.452000  
1 1 1 15 16 47  o 5.8780  1.3220 -1.305000      2.644000  
1 1 1 15 16 48  o 4.2580  1.2490 1.385000       2.497000  
1 1 1 15 16 49  o 11.160  0.9302 0.8932000      1.860000  
1 1 1 15 16 50  o 4.5850  1.2950 -0.2131000     2.591000  
1 1 1 15 16 51  o 7.0360  1.3330 1.720000       2.666000  
1 1 1 15 16 52  o 3.6370  1.1690 0.9318000E-01  2.339000  
1 1 1 15 16 53  o 4.3890  1.2870 -0.2572000     2.575000  
1 1 1 15 16 54  o 4.4160  1.2900 -0.5293000     2.580000  
1 1 1 15 16 55  o 9.2770  1.4180 1.177000       2.835000  
1 1 1 15 16 56  o 7.4570  1.5070 -2.222000      3.014000  
1 1 1 15 16 57  o 3.5680  1.2160 0.5564000      2.432000  
1 1 1 15 16 58  f 4.1670  1.3580 0.7922000      2.717000  
1 1 1 15 16 59  o 7.0920  1.6250 1.535000       3.251000  
1 1 1 15 16 60  o 4.1740  1.3630 2.105000       2.726000  
1 1 1 15 16 61  o 5.0480  1.4960 1.118000       2.992000  
1 1 1 15 16 62  o 3.4780  1.1780 0.9506000E-01  2.356000  
1 1 1 15 16 63  f 4.4410  1.3440 -0.9875000     2.687000  
1 1 1 15 16 64  o 3.8100  1.2610 0.2590000      2.522000  
1 1 1 15 16 65  o 4.3970  1.3200 -1.452000      2.640000  
1 1 1 15 16 66  o 3.4410  1.1600 -0.2738000     2.320000  
1 1 1 15 17 0   o 9.6460  1.1020 -0.000000      0.000000  
1 1 1 15 17 1   o 20.890  0.4834 -0.4288000     0.9667000 
1 1 1 15 17 2   o 15.560  0.4645 1.066000       0.9289000 
1 1 1 15 17 3   o 14.440  0.5365 -2.174000      1.073000  
1 1 1 15 17 4   o 28.700  0.5660 -3.706000      1.132000  
1 1 1 15 17 5   o 25.170  0.4583 0.6328000E-01  0.9167000 
1 1 1 15 17 6   o 18.250  0.7105 7.400000       1.421000  
1 1 1 15 17 7   o 36.600  0.5629 -0.4420000     1.126000  
1 1 1 15 17 8   o 16.700  0.5645 -0.5757000E-01 1.129000  
1 1 1 15 17 9   o 21.270  0.5444 1.606000       1.089000  
1 1 1 15 17 10  o 31.190  0.5058 0.3788000      1.012000  
1 1 1 15 17 11  o 17.540  0.6042 7.866000       1.208000  
1 1 1 15 17 12  f 7.8230  0.7953 -1.183000      1.591000  
1 1 1 15 17 13  o 11.030  0.5761 -0.6795000     1.152000  
1 1 1 15 17 14  o 5.9540  1.0070 1.229000       2.014000  
1 1 1 15 17 15  o 9.7510  0.7577 1.019000       1.515000  
1 1 1 15 17 16  o 18.410  0.4978 -2.099000      0.9957000 
1 1 1 15 17 17  o 7.6780  1.0830 3.693000       2.167000  
1 1 1 15 17 18  o 18.500  0.4994 0.6233000      0.9987000 
1 1 1 15 17 19  o 21.580  0.5040 2.838000       1.008000  
1 1 1 15 17 20  o 24.310  0.5167 -0.7157000     1.033000  
1 1 1 15 17 21  o 18.800  0.5269 1.587000       1.054000  
1 1 1 15 17 22  o 10.810  0.9309 3.578000       1.862000  
1 1 1 15 17 23  o 11.610  0.6514 -1.089000      1.303000  
1 1 1 15 17 24  o 5.4940  1.1860 -0.2647000     2.372000  
1 1 1 15 17 25  o 14.900  0.5722 -0.4896000     1.144000  
1 1 1 15 17 26  o 7.4000  1.0130 -2.653000      2.026000  
1 1 1 15 17 27  o 17.780  0.5528 0.3548000      1.106000  
1 1 1 15 17 28  o 15.540  0.5859 0.8403000      1.172000  
1 1 1 15 17 29  o 6.3950  1.2040 -3.086000      2.409000  
1 1 1 15 17 30  o 22.940  0.5974 0.6494000      1.195000  
1 1 1 15 17 31  o 10.580  0.9615 1.516000       1.923000  
1 1 1 15 17 32  f 18.440  0.6244 -1.015000      1.249000  
1 1 1 15 17 33  o 16.920  0.6535 -1.299000      1.307000  
1 1 1 15 17 34  o 8.8320  1.0530 3.021000       2.106000  
1 1 1 15 17 35  o 12.520  0.7640 -1.252000      1.528000  
1 1 1 15 17 36  f 6.2690  1.2630 0.7899000      2.527000  
1 1 1 15 17 37  o 7.2900  1.2060 -0.6308000     2.411000  
1 1 1 15 17 38  o 8.9050  1.0570 0.7871000      2.114000  
1 1 1 15 17 39  o 8.2950  1.1100 -0.7417000     2.220000  
1 1 1 15 17 40  o 10.220  0.9153 0.7139000      1.831000  
1 1 1 15 17 41  o 6.2910  1.2900 -0.6902000E-01 2.579000  
1 1 1 15 17 42  o 4.6760  1.2800 -0.3209000     2.560000  
1 1 1 15 17 43  o 11.330  0.8575 0.4887000      1.715000  
1 1 1 15 17 44  o 6.2030  1.2550 2.882000       2.511000  
1 1 1 15 17 45  o 7.1190  1.2830 -0.5562000E-01 2.565000  
1 1 1 15 17 46  f 4.3870  1.2550 -1.055000      2.509000  
1 1 1 15 17 47  o 4.1090  1.2160 1.631000       2.432000  
1 1 1 15 17 48  o 7.5710  1.2300 0.5127000      2.460000  
1 1 1 15 17 49  o 5.1090  1.3310 1.348000       2.662000  
1 1 1 15 17 50  o 4.0120  1.2360 0.5235000      2.472000  
1 1 1 15 17 51  o 4.6560  1.2750 -1.988000      2.550000  
1 1 1 15 17 52  f 6.9690  1.3470 1.509000       2.694000  
1 1 1 15 17 53  o 11.730  0.9083 1.405000       1.817000  
1 1 1 15 17 54  o 5.1680  1.3500 0.7399000      2.699000  
1 1 1 15 17 55  o 4.5280  1.3030 1.187000       2.607000  
1 1 1 15 17 56  o 6.4850  1.3340 3.234000       2.668000  
1 1 1 15 17 57  o 6.2690  1.4210 -0.2189000     2.841000  
1 1 1 15 17 58  o 6.6140  1.4080 -1.495000      2.817000  
1 1 1 15 17 59  o 3.2580  1.0970 0.4946000      2.194000  
1 1 1 15 17 60  o 4.1860  1.3340 0.4778000E-01  2.667000  
1 1 1 15 17 61  o 4.0530  1.2930 -0.9407000     2.586000  
1 1 1 15 17 62  o 4.1760  1.3240 -0.4758000E-01 2.647000  
1 1 1 15 17 63  o 3.6520  1.1810 -0.6640000     2.362000  
1 1 1 15 17 64  o 4.3700  2.0490 ?              ?         
1 1 1 15 18 0   f 8.8820  1.0030 -0.000000      0.000000  
1 1 1 15 18 1   o 14.120  0.4815 -0.1650000     0.9630000 
1 1 1 15 18 2   o 10.960  0.5872 2.136000       1.174000  
1 1 1 15 18 3   o 8.3570  0.7268 -1.489000      1.454000  
1 1 1 15 18 4   o 17.540  0.4520 0.7112000      0.9041000 
1 1 1 15 18 5   o 15.260  0.5638 -0.6008000     1.128000  
1 1 1 15 18 6   o 18.170  0.4566 0.6347000E-01  0.9133000 
1 1 1 15 18 7   o 24.920  0.4627 -0.9458000     0.9253000 
1 1 1 15 18 8   o 15.290  0.5302 1.797000       1.060000  
1 1 1 15 18 9   o 12.530  0.5368 -1.240000      1.074000  
1 1 1 15 18 10  o 18.060  0.4484 -0.8647000     0.8967000 
1 1 1 15 18 11  o 15.770  0.4796 1.092000       0.9593000 
1 1 1 15 18 12  o 11.930  0.5659 1.737000       1.132000  
1 1 1 15 18 13  o 14.000  0.4939 0.3245000      0.9877000 
1 1 1 15 18 14  o 12.190  0.5447 0.3448000      1.089000  
1 1 1 15 18 15  f 5.2020  1.0790 1.981000       2.159000  
1 1 1 15 18 16  o 11.050  0.5954 -0.2432000     1.191000  
1 1 1 15 18 17  o 7.3090  0.8608 -0.3791000     1.722000  
1 1 1 15 18 18  o 7.0120  1.0350 1.222000       2.070000  
1 1 1 15 18 19  o 20.410  0.5952 -0.7795000     1.190000  
1 1 1 15 18 20  o 8.4460  0.9832 -2.538000      1.966000  
1 1 1 15 18 21  o 19.650  0.5148 -0.8261000E-01 1.030000  
1 1 1 15 18 22  o 13.480  0.6138 0.7959000E-01  1.228000  
1 1 1 15 18 23  o 15.980  0.5536 0.1027000      1.107000  
1 1 1 15 18 24  f 13.210  0.6419 1.360000       1.284000  
1 1 1 15 18 25  o 21.330  0.5280 -0.8825000E-01 1.056000  
1 1 1 15 18 26  o 21.000  0.5238 1.232000       1.048000  
1 1 1 15 18 27  f 5.3700  1.3240 -1.845000      2.649000  
1 1 1 15 18 28  o 3.9370  1.1340 0.3311000      2.269000  
1 1 1 15 18 29  o 10.220  0.7829 1.238000       1.566000  
1 1 1 15 18 30  o 10.170  0.8698 -0.2754000     1.740000  
1 1 1 15 18 31  o 4.7020  1.2800 0.5363000      2.559000  
1 1 1 15 18 32  o 10.850  0.8634 -0.2314000     1.727000  
1 1 1 15 18 33  f 7.0800  1.2210 1.297000       2.441000  
1 1 1 15 18 34  o 5.4510  1.3140 -0.5531000     2.629000  
1 1 1 15 18 35  o 8.8940  1.0220 0.9443000      2.044000  
1 1 1 15 18 36  o 5.6400  1.2680 2.125000       2.536000  
1 1 1 15 18 37  o 11.600  0.8309 -1.648000      1.662000  
1 1 1 15 18 38  o 6.6610  1.2040 3.493000       2.409000  
1 1 1 15 18 39  o 5.4300  1.3190 -1.097000      2.637000  
1 1 1 15 18 40  o 4.3540  1.2550 -0.7378000     2.511000  
1 1 1 15 18 41  f 3.9850  1.2100 -0.2937000     2.421000  
1 1 1 15 18 42  o 5.9750  1.3200 -0.8973000E-01 2.639000  
1 1 1 15 18 43  o 3.8710  1.1900 -0.6794000     2.380000  
1 1 1 15 18 44  o 10.110  0.9775 -0.2555000     1.955000  
1 1 1 15 18 45  o 4.2550  1.2550 -0.3960000     2.511000  
1 1 1 15 18 46  o 8.5830  1.1670 0.5443000      2.334000  
1 1 1 15 18 47  o 3.7630  1.1850 1.064000       2.370000  
1 1 1 15 18 48  o 3.8340  1.1980 -0.4019000     2.395000  
1 1 1 15 18 49  o 6.1000  1.3520 1.200000       2.705000  
1 1 1 15 18 50  o 5.9660  1.3710 -0.5195000     2.742000  
1 1 1 15 18 51  o 4.6720  1.3230 -0.5252000     2.647000  
1 1 1 15 18 52  o 7.4090  1.3070 1.593000       2.615000  
1 1 1 15 18 53  o 4.0940  1.2600 0.5730000      2.520000  
1 1 1 15 18 54  o 3.8490  1.2200 0.8155000      2.440000  
1 1 1 15 18 55  o 3.6570  1.1860 0.2170000      2.371000  
1 1 1 15 18 56  o 4.7860  1.3340 -0.8546000     2.667000  
1 1 1 15 18 57  o 4.1770  1.2560 -1.078000      2.511000  
1 1 1 15 18 58  o 4.7810  1.3360 1.157000       2.672000  
1 1 1 15 18 59  o 3.7830  1.1850 -0.2069000     2.370000  
1 1 1 15 18 60  o 3.4400  1.1250 -0.6238000     2.249000  
1 1 1 15 18 61  o 4.1880  1.3510 0.3916000      2.703000  
1 1 1 15 18 62  o 3.5310  1.7920 ?              ?         
1 1 1 15 19 0   o 6.5050  1.5140 0.000000       0.000000  
1 1 1 15 19 1   o 10.890  0.5867 -0.5330000     1.173000  
1 1 1 15 19 2   o 11.000  0.7103 -4.324000      1.421000  
1 1 1 15 19 3   o 22.570  0.4990 -1.796000      0.9980000 
1 1 1 15 19 4   o 18.680  0.5062 1.661000       1.012000  
1 1 1 15 19 5   o 20.060  0.4503 0.6402000E-01  0.9007000 
1 1 1 15 19 6   o 11.730  0.7157 5.867000       1.431000  
1 1 1 15 19 7   o 18.930  0.4514 -0.4577000     0.9028000 
1 1 1 15 19 8   o 16.380  0.4765 1.807000       0.9529000 
1 1 1 15 19 9   o 11.960  0.5535 0.1193000      1.107000  
1 1 1 15 19 10  o 9.5020  0.6718 -0.5626000     1.344000  
1 1 1 15 19 11  o 4.5160  1.0990 -0.4158000E-01 2.198000  
1 1 1 15 19 12  o 5.0860  1.0930 1.602000       2.187000  
1 1 1 15 19 13  o 6.8400  0.9356 -3.950000      1.871000  
1 1 1 15 19 14  o 13.260  0.5350 0.6269000      1.070000  
1 1 1 15 19 15  o 8.9700  0.7962 0.2465000      1.592000  
1 1 1 15 19 16  o 8.2960  0.8389 2.904000       1.678000  
1 1 1 15 19 17  f 18.770  0.4652 -0.6601000     0.9303000 
1 1 1 15 19 18  o 12.640  0.7159 -5.610000      1.432000  
1 1 1 15 19 19  o 9.1460  1.0370 0.3950000      2.074000  
1 1 1 15 19 20  o 13.460  0.6025 0.1596000      1.205000  
1 1 1 15 19 21  o 11.130  0.6963 -1.278000      1.393000  
1 1 1 15 19 22  o 12.680  0.7150 -0.2728000E-02 1.430000  
1 1 1 15 19 23  o 8.6280  0.8768 -2.602000      1.754000  
1 1 1 15 19 24  o 15.020  0.5682 0.5447000      1.136000  
1 1 1 15 19 25  o 9.5870  0.8098 -0.3037000     1.620000  
1 1 1 15 19 26  o 6.9130  1.0930 -2.142000      2.187000  
1 1 1 15 19 27  o 4.2400  1.1800 -0.3984000     2.360000  
1 1 1 15 19 28  o 8.5490  0.9465 1.123000       1.893000  
1 1 1 15 19 29  o 5.8200  1.1890 1.182000       2.378000  
1 1 1 15 19 30  o 15.990  0.6081 2.138000       1.216000  
1 1 1 15 19 31  o 7.7880  1.2040 -0.2440000     2.409000  
1 1 1 15 19 32  f 12.930  0.7786 -0.3687000     1.557000  
1 1 1 15 19 33  o 7.8680  1.1870 1.424000       2.374000  
1 1 1 15 19 34  o 7.8000  1.2060 2.279000       2.411000  
1 1 1 15 19 35  o 17.380  0.6642 -0.6286000     1.328000  
1 1 1 15 19 36  o 7.5620  1.2270 1.359000       2.454000  
1 1 1 15 19 37  o 3.9790  1.2090 -0.8425000     2.418000  
1 1 1 15 19 38  o 3.9540  1.1960 -0.8578000     2.392000  
1 1 1 15 19 39  o 5.3660  1.2640 -2.453000      2.529000  
1 1 1 15 19 40  o 8.4960  1.1410 2.712000       2.283000  
1 1 1 15 19 41  o 8.0900  1.1880 -2.231000      2.377000  
1 1 1 15 19 42  o 4.4650  1.2020 -2.686000      2.404000  
1 1 1 15 19 43  f 6.7270  1.2990 -1.377000      2.597000  
1 1 1 15 19 44  o 6.5170  1.2970 0.9329000      2.594000  
1 1 1 15 19 45  f 4.8010  1.2920 0.9309000      2.584000  
1 1 1 15 19 46  o 7.7480  1.2000 3.956000       2.399000  
1 1 1 15 19 47  o 4.8800  1.2740 -2.643000      2.548000  
1 1 1 15 19 48  o 6.2310  1.3840 0.9989000      2.768000  
1 1 1 15 19 49  o 4.6030  1.3260 0.7149000      2.652000  
1 1 1 15 19 50  o 4.5100  1.3150 -0.7740000E-02 2.630000  
1 1 1 15 19 51  o 4.3980  1.2910 0.8685000      2.583000  
1 1 1 15 19 52  o 3.0290  1.0340 -0.2147000     2.068000  
1 1 1 15 19 53  o 4.9500  1.3550 -0.5268000     2.709000  
1 1 1 15 19 54  o 5.9220  1.3810 -1.686000      2.762000  
1 1 1 15 19 55  f 3.9500  1.2280 1.442000       2.456000  
1 1 1 15 19 56  o 3.4840  1.1440 -0.4012000     2.288000  
1 1 1 15 19 57  o 3.6300  1.1880 1.590000       2.375000  
1 1 1 15 19 58  f 3.9130  1.3140 1.378000       2.629000  
1 1 1 15 19 59  o 3.5760  1.8170 ?              ?         
1 1 1 15 20 0   o 13.170  0.7426 0.000000       0.000000  
1 1 1 15 20 1   o 9.4450  0.8006 3.920000       1.601000  
1 1 1 15 20 2   o 12.000  0.5589 -0.3748000     1.118000  
1 1 1 15 20 3   o 9.9270  0.6785 -1.707000      1.357000  
1 1 1 15 20 4   o 12.240  0.5549 -2.352000      1.110000  
1 1 1 15 20 5   o 11.640  0.5782 1.101000       1.156000  
1 1 1 15 20 6   o 7.6230  0.8541 -0.7684000     1.708000  
1 1 1 15 20 7   o 10.520  0.6319 -0.7842000     1.264000  
1 1 1 15 20 8   o 11.550  0.5987 0.1862000      1.197000  
1 1 1 15 20 9   o 18.430  0.4613 -0.4610000     0.9227000 
1 1 1 15 20 10  o 14.670  0.5999 -1.463000      1.200000  
1 1 1 15 20 11  o 19.390  0.4650 -1.163000      0.9300000 
1 1 1 15 20 12  o 16.810  0.5479 2.039000       1.096000  
1 1 1 15 20 13  o 18.950  0.5174 -0.2153000     1.035000  
1 1 1 15 20 14  o 17.470  0.4899 1.057000       0.9797000 
1 1 1 15 20 15  o 10.710  0.6734 0.5028000      1.347000  
1 1 1 15 20 16  o 9.9680  0.7508 -0.7823000E-01 1.502000  
1 1 1 15 20 17  o 4.6580  1.0650 -2.231000      2.129000  
1 1 1 15 20 18  o 4.2860  1.1140 -0.2274000     2.228000  
1 1 1 15 20 19  o 5.6580  1.0990 0.5923000      2.197000  
1 1 1 15 20 20  o 12.790  0.6345 -0.1590000     1.269000  
1 1 1 15 20 21  o 4.9420  1.2210 -0.6753000     2.442000  
1 1 1 15 20 22  o 4.7790  1.2220 -0.3376000     2.444000  
1 1 1 15 20 23  o 10.040  0.7965 -0.2190000     1.593000  
1 1 1 15 20 24  o 4.7230  1.1570 -2.803000      2.313000  
1 1 1 15 20 25  o 6.2440  1.1500 0.5355000      2.300000  
1 1 1 15 20 26  o 11.720  0.7066 0.8629000      1.413000  
1 1 1 15 20 27  o 7.3000  1.1110 -1.056000      2.222000  
1 1 1 15 20 28  o 14.270  0.6355 -0.7638000     1.271000  
1 1 1 15 20 29  o 7.5370  1.0810 -1.357000      2.162000  
1 1 1 15 20 30  o 4.8410  1.2390 -0.9184000     2.478000  
1 1 1 15 20 31  o 11.570  0.7645 1.421000       1.529000  
1 1 1 15 20 32  o 9.4940  0.9999 1.322000       2.000000  
1 1 1 15 20 33  o 10.870  0.9019 -0.6386000     1.804000  
1 1 1 15 20 34  o 4.3890  1.2660 0.5872000      2.531000  
1 1 1 15 20 35  o 5.6230  1.3520 0.6227000      2.703000  
1 1 1 15 20 36  o 7.1610  1.2700 -1.882000      2.539000  
1 1 1 15 20 37  o 8.2000  1.1930 -0.3301000     2.386000  
1 1 1 15 20 38  o 7.2220  1.2820 -0.3855000     2.564000  
1 1 1 15 20 39  o 10.990  0.8948 0.6528000      1.790000  
1 1 1 15 20 40  o 9.9490  1.0130 -2.225000      2.026000  
1 1 1 15 20 41  o 4.1250  1.2410 -0.7314000     2.481000  
1 1 1 15 20 42  o 6.0250  1.3530 -1.042000      2.707000  
1 1 1 15 20 43  o 4.4340  1.2820 0.6382000      2.564000  
1 1 1 15 20 44  o 5.2940  1.3650 -0.3800000     2.731000  
1 1 1 15 20 45  o 8.6110  1.1560 0.8439000E-01  2.311000  
1 1 1 15 20 46  f 3.0960  1.0480 -0.8350000E-01 2.096000  
1 1 1 15 20 47  o 3.9090  1.2250 -0.3013000     2.450000  
1 1 1 15 20 48  o 4.7420  1.3070 1.880000       2.614000  
1 1 1 15 20 49  o 6.8630  1.3890 -0.2396000     2.778000  
1 1 1 15 20 50  o 5.1160  1.3720 0.2569000      2.743000  
1 1 1 15 20 51  o 4.0900  1.2540 -0.4785000     2.508000  
1 1 1 15 20 52  o 5.8020  1.3460 0.8739000      2.691000  
1 1 1 15 20 53  o 4.4080  1.2730 0.9546000      2.545000  
1 1 1 15 20 54  o 5.1770  1.3520 0.2562000      2.703000  
1 1 1 15 20 55  o 4.2140  1.7770 ?              ?         
1 1 1 15 20 56  o 3.7010  1.8700 ?              ?         
1 1 1 15 21 0   o 9.1310  1.0660 -0.000000      0.000000  
1 1 1 15 21 1   o 6.9050  0.9448 1.064000       1.890000  
1 1 1 15 21 2   o 6.5030  0.9940 0.1260000      1.988000  
1 1 1 15 21 3   o 8.0780  0.8199 0.9567000      1.640000  
1 1 1 15 21 4   o 12.370  0.5567 -0.2437000     1.113000  
1 1 1 15 21 5   o 7.8470  0.8584 -0.4007000     1.717000  
1 1 1 15 21 6   o 13.390  0.5353 -0.5692000     1.071000  
1 1 1 15 21 7   o 9.3340  0.7496 2.770000       1.499000  
1 1 1 15 21 8   o 14.510  0.5216 -0.6755000     1.043000  
1 1 1 15 21 9   o 11.420  0.6088 1.341000       1.218000  
1 1 1 15 21 10  o 12.900  0.5466 0.8617000      1.093000  
1 1 1 15 21 11  f 14.400  0.5220 1.415000       1.044000  
1 1 1 15 21 12  o 5.4240  1.1290 1.341000       2.257000  
1 1 1 15 21 13  o 8.8290  0.7683 -2.261000      1.537000  
1 1 1 15 21 14  o 6.3630  1.0280 0.3000000      2.056000  
1 1 1 15 21 15  o 7.6470  0.8730 -1.063000      1.746000  
1 1 1 15 21 16  o 9.0460  0.7562 -0.3358000     1.512000  
1 1 1 15 21 17  o 6.2420  1.0540 1.642000       2.109000  
1 1 1 15 21 18  f 9.2410  0.7395 0.7125000      1.479000  
1 1 1 15 21 19  o 11.110  0.6350 -0.6421000     1.270000  
1 1 1 15 21 20  o 8.4800  0.8320 1.702000       1.664000  
1 1 1 15 21 21  o 5.6620  1.1490 -2.777000      2.298000  
1 1 1 15 21 22  o 4.8560  1.1980 -1.167000      2.396000  
1 1 1 15 21 23  o 4.7390  1.1760 -2.416000      2.352000  
1 1 1 15 21 24  f 5.4510  1.2010 -1.790000      2.402000  
1 1 1 15 21 25  o 8.3470  0.9562 -1.450000      1.912000  
1 1 1 15 21 26  o 12.650  0.6747 0.8691000      1.349000  
1 1 1 15 21 27  o 15.410  0.5911 -0.5725000     1.182000  
1 1 1 15 21 28  o 11.620  0.7305 0.2749000      1.461000  
1 1 1 15 21 29  o 9.7370  0.8697 1.557000       1.739000  
1 1 1 15 21 30  f 9.6840  0.8470 -1.460000      1.694000  
1 1 1 15 21 31  o 11.110  0.7680 0.2351000      1.536000  
1 1 1 15 21 32  o 10.130  0.8668 0.9543000      1.734000  
1 1 1 15 21 33  o 9.0750  1.1020 -1.577000      2.205000  
1 1 1 15 21 34  o 12.430  0.8292 1.228000       1.658000  
1 1 1 15 21 35  o 10.290  1.0220 3.741000       2.043000  
1 1 1 15 21 36  o 8.2790  1.2030 -0.3408000     2.407000  
1 1 1 15 21 37  o 6.4880  1.3410 -1.253000      2.682000  
1 1 1 15 21 38  o 12.290  0.8481 -1.191000      1.696000  
1 1 1 15 21 39  o 4.5170  1.3050 -0.6001000     2.611000  
1 1 1 15 21 40  o 4.2290  1.2650 0.7095000      2.531000  
1 1 1 15 21 41  o 4.4930  1.2950 0.2614000      2.590000  
1 1 1 15 21 42  o 5.3360  1.3660 0.3104000E-01  2.733000  
1 1 1 15 21 43  o 4.5910  1.3120 -1.062000      2.623000  
1 1 1 15 21 44  f 6.5920  1.3590 1.968000       2.718000  
1 1 1 15 21 45  o 3.2200  1.0830 -0.2303000     2.166000  
1 1 1 15 21 46  f 3.7910  1.2010 0.3430000      2.402000  
1 1 1 15 21 47  o 3.6410  1.1610 -0.4352000     2.321000  
1 1 1 15 21 48  o 4.6620  1.2990 1.013000       2.599000  
1 1 1 15 21 49  o 7.6590  1.2640 0.9545000      2.528000  
1 1 1 15 21 50  o 8.4830  1.1660 1.086000       2.332000  
1 1 1 15 21 51  o 3.6350  1.6500 ?              ?         
1 1 1 15 21 52  o 4.1760  1.9690 ?              ?         
1 1 1 15 22 0   o 8.0060  1.2780 0.000000       0.000000  
1 1 1 15 22 1   o 12.410  0.5858 -0.1555000     1.172000  
1 1 1 15 22 2   o 10.240  0.6843 -1.172000      1.369000  
1 1 1 15 22 3   o 14.170  0.5484 -0.8061000     1.097000  
1 1 1 15 22 4   o 10.490  0.6818 0.4261000      1.364000  
1 1 1 15 22 5   o 15.000  0.5233 -0.9848000E-02 1.047000  
1 1 1 15 22 6   f 9.4880  0.7195 -0.4156000     1.439000  
1 1 1 15 22 7   o 5.5620  1.1040 0.2474000      2.208000  
1 1 1 15 22 8   o 6.0220  1.0610 0.1065000E-01  2.121000  
1 1 1 15 22 9   o 10.190  0.6882 -2.544000      1.376000  
1 1 1 15 22 10  o 17.190  0.4912 0.7192000      0.9823000 
1 1 1 15 22 11  o 11.190  0.6323 -1.312000      1.265000  
1 1 1 15 22 12  o 7.3880  0.9162 -1.292000      1.832000  
1 1 1 15 22 13  o 12.740  0.5726 0.4821000E-01  1.145000  
1 1 1 15 22 14  o 11.050  0.6558 0.7743000      1.312000  
1 1 1 15 22 15  f 16.100  0.5033 -0.7478000     1.007000  
1 1 1 15 22 16  o 9.6470  0.7302 0.2007000      1.460000  
1 1 1 15 22 17  o 5.1270  1.1330 1.168000       2.265000  
1 1 1 15 22 18  o 10.310  0.6857 0.1070000E-01  1.371000  
1 1 1 15 22 19  o 7.0460  0.9628 -2.096000      1.926000  
1 1 1 15 22 20  o 6.0540  1.0930 0.3638000      2.187000  
1 1 1 15 22 21  o 6.4670  1.0660 1.360000       2.133000  
1 1 1 15 22 22  o 5.6160  1.1240 1.519000       2.248000  
1 1 1 15 22 23  o 16.280  0.5678 1.340000       1.136000  
1 1 1 15 22 24  o 6.4130  1.3400 -1.616000      2.680000  
1 1 1 15 22 25  o 8.5310  0.9553 -1.764000      1.911000  
1 1 1 15 22 26  f 5.1850  1.2020 -2.667000      2.405000  
1 1 1 15 22 27  o 7.1850  1.1430 -0.5938000     2.287000  
1 1 1 15 22 28  o 6.1410  1.2170 0.4469000      2.435000  
1 1 1 15 22 29  o 6.6650  1.2100 0.3316000E-01  2.420000  
1 1 1 15 22 30  o 3.5990  1.1250 -1.122000      2.249000  
1 1 1 15 22 31  o 14.960  0.6429 0.2747000      1.286000  
1 1 1 15 22 32  o 15.510  0.6318 -0.4980000     1.264000  
1 1 1 15 22 33  o 11.830  0.7616 -2.377000      1.523000  
1 1 1 15 22 34  o 6.6310  1.2400 -1.821000      2.479000  
1 1 1 15 22 35  o 4.7040  1.3260 -0.5703000     2.652000  
1 1 1 15 22 36  f 7.9950  1.2280 -2.370000      2.457000  
1 1 1 15 22 37  o 10.280  1.0020 2.665000       2.004000  
1 1 1 15 22 38  o 7.9340  1.2410 1.704000       2.482000  
1 1 1 15 22 39  o 3.8040  1.1950 0.1975000      2.391000  
1 1 1 15 22 40  o 7.1150  1.2960 -1.398000      2.592000  
1 1 1 15 22 41  o 3.8280  1.1960 0.8110000      2.391000  
1 1 1 15 22 42  f 3.9860  1.2140 -0.8693000     2.428000  
1 1 1 15 22 43  o 4.0930  1.2360 -0.4328000     2.472000  
1 1 1 15 22 44  o 4.6960  1.3030 -1.126000      2.605000  
1 1 1 15 22 45  o 4.9820  1.3350 0.7522000      2.670000  
1 1 1 15 22 46  o 4.1580  1.2600 -0.4764000E-01 2.521000  
1 1 1 15 22 47  o 5.2360  1.9020 ?              ?         
1 1 1 15 22 48  o 4.1850  1.9630 ?              ?         
1 1 1 15 23 0   o 4.3830  2.3930 -0.000000      0.000000  
1 1 1 15 23 1   o 14.410  0.5304 0.9056000      1.061000  
1 1 1 15 23 2   f 12.580  0.5726 -0.9171000     1.145000  
1 1 1 15 23 3   o 15.160  0.5253 -0.7447000     1.051000  
1 1 1 15 23 4   o 11.640  0.6291 -0.5456000     1.258000  
1 1 1 15 23 5   o 10.690  0.8673 -6.358000      1.735000  
1 1 1 15 23 6   o 23.710  0.5223 -1.123000      1.045000  
1 1 1 15 23 7   o 16.920  0.6081 -5.698000      1.216000  
1 1 1 15 23 8   o 18.640  0.4850 0.3626000      0.9700000 
1 1 1 15 23 9   o 10.280  0.6955 0.9767000      1.391000  
1 1 1 15 23 10  o 6.9320  1.0030 -2.000000      2.006000  
1 1 1 15 23 11  o 5.5010  1.1350 -0.6732000     2.270000  
1 1 1 15 23 12  o 6.0170  1.0950 1.199000       2.189000  
1 1 1 15 23 13  f 7.7790  0.8926 -0.2706000     1.785000  
1 1 1 15 23 14  o 6.9290  1.0140 -0.3589000     2.028000  
1 1 1 15 23 15  o 4.8750  1.1400 1.163000       2.279000  
1 1 1 15 23 16  o 4.6780  1.1400 -0.4753000     2.280000  
1 1 1 15 23 17  o 4.6780  1.1390 1.102000       2.279000  
1 1 1 15 23 18  o 6.3510  1.0590 0.1226000E-02  2.117000  
1 1 1 15 23 19  o 7.2100  0.9869 1.764000       1.974000  
1 1 1 15 23 20  o 8.9930  0.7806 -0.8186000     1.561000  
1 1 1 15 23 21  o 7.8410  0.8968 0.1954000      1.794000  
1 1 1 15 23 22  o 8.8140  0.8282 0.3985000      1.656000  
1 1 1 15 23 23  o 10.430  0.7195 -2.803000      1.439000  
1 1 1 15 23 24  o 7.1560  1.0960 0.5092000      2.191000  
1 1 1 15 23 25  o 7.0170  1.0980 -0.4487000     2.196000  
1 1 1 15 23 26  f 3.4020  1.0720 -0.8833000     2.145000  
1 1 1 15 23 27  o 6.4060  1.1740 -1.880000      2.347000  
1 1 1 15 23 28  o 6.0300  1.1740 2.190000       2.347000  
1 1 1 15 23 29  o 7.4160  1.1330 0.4464000E-02  2.266000  
1 1 1 15 23 30  o 7.1350  1.1340 -0.2971000     2.269000  
1 1 1 15 23 31  o 8.6810  0.9636 0.1534000      1.927000  
1 1 1 15 23 32  o 5.3060  1.2400 -2.184000      2.480000  
1 1 1 15 23 33  o 4.3980  1.2120 -0.9194000     2.425000  
1 1 1 15 23 34  o 9.8860  0.8838 1.337000       1.768000  
1 1 1 15 23 35  o 3.8330  1.1450 0.5061000      2.291000  
1 1 1 15 23 36  o 8.3720  1.2030 0.4734000      2.407000  
1 1 1 15 23 37  f 6.7870  1.2090 -4.504000      2.417000  
1 1 1 15 23 38  o 4.0770  1.2470 0.6567000      2.494000  
1 1 1 15 23 39  o 3.8200  1.1870 -1.055000      2.373000  
1 1 1 15 23 40  o 5.6050  1.3400 2.429000       2.680000  
1 1 1 15 23 41  o 4.0890  1.2410 -0.6764000     2.482000  
1 1 1 15 23 42  o 5.2220  1.8740 ?              ?         
1 1 1 15 23 43  o 3.8150  1.9050 ?              ?         
1 1 1 15 24 0   o 6.9580  1.5420 0.000000       0.000000  
1 1 1 15 24 1   o 10.330  0.6976 -1.658000      1.395000  
1 1 1 15 24 2   o 9.6270  0.9361 -4.983000      1.872000  
1 1 1 15 24 3   o 16.140  0.5245 0.9283000      1.049000  
1 1 1 15 24 4   o 10.650  0.6802 1.229000       1.360000  
1 1 1 15 24 5   o 13.490  0.5834 -1.006000      1.167000  
1 1 1 15 24 6   o 7.6930  0.9557 0.5510000      1.911000  
1 1 1 15 24 7   o 4.4070  1.1260 -1.120000      2.253000  
1 1 1 15 24 8   o 3.3910  1.0370 0.1348000      2.073000  
1 1 1 15 24 9   o 5.2090  1.1470 -0.5351000     2.294000  
1 1 1 15 24 10  o 6.2530  1.0940 -0.1140000     2.189000  
1 1 1 15 24 11  o 8.0110  0.9018 -1.721000      1.804000  
1 1 1 15 24 12  f 10.230  0.7014 -0.8055000E-01 1.403000  
1 1 1 15 24 13  o 9.7170  0.7397 1.124000       1.479000  
1 1 1 15 24 14  o 11.500  0.6403 0.9683000      1.281000  
1 1 1 15 24 15  o 8.8450  0.8910 4.740000       1.782000  
1 1 1 15 24 16  o 12.740  0.5899 -1.932000      1.180000  
1 1 1 15 24 17  f 10.600  0.6957 -0.5845000     1.391000  
1 1 1 15 24 18  o 7.5960  0.9521 1.121000       1.904000  
1 1 1 15 24 19  o 3.8330  1.0980 0.3394000      2.195000  
1 1 1 15 24 20  o 3.9710  1.0910 -1.330000      2.182000  
1 1 1 15 24 21  o 6.5900  1.0640 0.2113000      2.128000  
1 1 1 15 24 22  f 5.6320  1.1060 2.813000       2.213000  
1 1 1 15 24 23  o 9.8370  0.7513 -0.6602000     1.503000  
1 1 1 15 24 24  o 4.7450  1.1610 0.5222000      2.323000  
1 1 1 15 24 25  o 4.9320  1.1590 1.666000       2.318000  
1 1 1 15 24 26  o 6.5920  1.1560 -0.9817000     2.313000  
1 1 1 15 24 27  o 3.8000  1.1230 0.4125000      2.245000  
1 1 1 15 24 28  o 3.7050  1.1220 0.1937000      2.244000  
1 1 1 15 24 29  o 8.0160  1.0640 1.162000       2.128000  
1 1 1 15 24 30  o 7.7930  1.0650 -3.510000      2.130000  
1 1 1 15 24 31  f 3.8850  1.1630 -1.754000      2.325000  
1 1 1 15 24 32  o 6.5630  1.1720 1.971000       2.344000  
1 1 1 15 24 33  o 6.4990  1.2090 -2.014000      2.418000  
1 1 1 15 24 34  o 4.2520  1.2110 -0.9999000     2.423000  
1 1 1 15 24 35  o 5.3270  1.2210 -2.878000      2.442000  
1 1 1 15 24 36  o 5.7040  1.4630 0.9134000E-01  2.927000  
1 1 1 15 24 37  o 3.8250  1.8910 ?              ?         
1 1 1 15 25 0   o 6.3210  1.8240 0.000000       0.000000  
1 1 1 15 25 1   o 13.020  0.5929 0.1897000      1.186000  
1 1 1 15 25 2   o 8.9640  0.8346 -2.420000      1.669000  
1 1 1 15 25 3   o 8.7770  0.8289 0.4475000      1.658000  
1 1 1 15 25 4   o 6.5170  1.0860 0.9704000      2.172000  
1 1 1 15 25 5   f 12.190  0.6509 -2.474000      1.302000  
1 1 1 15 25 6   o 16.170  0.5344 -1.291000      1.069000  
1 1 1 15 25 7   o 9.5470  0.7709 2.181000       1.542000  
1 1 1 15 25 8   o 4.6120  1.1330 -1.672000      2.266000  
1 1 1 15 25 9   o 5.1970  1.1500 0.7954000      2.301000  
1 1 1 15 25 10  o 9.3820  0.7454 0.3401000      1.491000  
1 1 1 15 25 11  o 6.8540  1.0190 -1.894000      2.038000  
1 1 1 15 25 12  o 7.1500  0.9817 1.481000       1.963000  
1 1 1 15 25 13  o 10.870  0.6793 0.5034000      1.359000  
1 1 1 15 25 14  f 9.4610  0.7886 0.6576000      1.577000  
1 1 1 15 25 15  o 10.070  0.7343 1.647000       1.469000  
1 1 1 15 25 16  o 6.2980  1.0790 -0.4114000     2.158000  
1 1 1 15 25 17  o 4.0450  1.1270 0.9957000E-01  2.254000  
1 1 1 15 25 18  o 4.5090  1.1550 -0.5699000     2.310000  
1 1 1 15 25 19  o 5.1110  1.1590 -0.4898000     2.319000  
1 1 1 15 25 20  f 7.1130  0.9921 -2.879000      1.984000  
1 1 1 15 25 21  o 10.760  0.7027 -0.3395000     1.405000  
1 1 1 15 25 22  o 4.4850  1.1490 -1.163000      2.298000  
1 1 1 15 25 23  o 4.8070  1.1520 1.014000       2.304000  
1 1 1 15 25 24  o 3.1350  1.0010 0.2455000E-01  2.003000  
1 1 1 15 25 25  o 4.0840  1.1240 -0.1980000     2.249000  
1 1 1 15 25 26  o 7.7890  1.0570 0.1058000      2.114000  
1 1 1 15 25 27  o 6.0100  1.1580 -3.161000      2.315000  
1 1 1 15 25 28  o 6.5100  1.1720 0.5196000      2.345000  
1 1 1 15 25 29  o 4.2410  1.3540 0.8157000E-01  2.708000  
1 1 1 15 26 0   o 4.7950  2.0070 0.000000       0.000000  
1 1 1 15 26 1   o 7.3810  0.9874 0.6334000E-01  1.975000  
1 1 1 15 26 2   o 6.4410  1.0680 0.4825000      2.137000  
1 1 1 15 26 3   o 6.2000  1.0850 0.4938000      2.171000  
1 1 1 15 26 4   o 6.0490  1.1060 -1.268000      2.212000  
1 1 1 15 26 5   o 4.7460  1.1770 -0.4205000E-01 2.355000  
1 1 1 15 26 6   o 9.4760  0.7913 0.8116000      1.583000  
1 1 1 15 26 7   o 5.7050  1.1550 -0.9809000     2.311000  
1 1 1 15 26 8   o 4.2600  1.1320 -0.3896000     2.264000  
1 1 1 15 26 9   o 5.5720  1.1400 0.3779000      2.280000  
1 1 1 15 26 10  o 12.700  0.6143 -0.3192000     1.229000  
1 1 1 15 26 11  f 6.5720  1.1030 1.319000       2.207000  
1 1 1 15 26 12  o 3.2560  1.0290 -0.2977000E-01 2.058000  
1 1 1 15 26 13  o 2.7500  0.9228 -0.1770000     1.846000  
1 1 1 15 26 14  o 3.8390  1.1060 -0.7896000     2.213000  
1 1 1 15 26 15  o 5.5680  1.1380 -1.093000      2.275000  
1 1 1 15 26 16  o 6.4610  1.1000 -1.407000      2.200000  
1 1 1 15 26 17  o 4.4210  1.2670 -0.1766000     2.535000  
1 1 1 15 26 18  f 3.1740  1.4300 ?              ?         
1 1 1 15 26 19  o 2.9820  1.4760 ?              ?         
1 1 1 15 26 20  o 3.3320  1.6870 ?              ?         
1 1 1 15 26 21  o 3.3540  1.6970 ?              ?         
1 1 1 16 0  0   o 67.550  2.6850 0.000000       0.000000  
1 1 1 16 0  2   o 31.800  0.9010 0.000000       0.000000  
1 1 1 16 0  4   o 16.570  0.7441 -0.000000      0.000000  
1 1 1 16 0  5   o 12.470  0.6633 0.000000       0.000000  
1 1 1 16 0  6   o 33.090  1.3200 0.000000       0.000000  
1 1 1 16 0  7   o 20.010  0.8417 0.000000       0.000000  
1 1 1 16 0  8   o 40.860  1.6220 0.000000       0.000000  
1 1 1 16 0  9   o 34.210  1.3660 0.000000       0.000000  
1 1 1 16 0  10  o 47.480  1.8900 0.000000       0.000000  
1 1 1 16 0  11  o 27.060  1.1080 0.000000       0.000000  
1 1 1 16 0  12  f 28.420  1.1590 0.000000       0.000000  
1 1 1 16 0  13  o 68.710  2.7680 0.000000       0.000000  
1 1 1 16 0  14  o 22.580  0.9944 0.000000       0.000000  
1 1 1 16 0  15  o 45.780  1.8400 0.000000       0.000000  
1 1 1 16 0  16  o 51.750  2.0810 0.000000       0.000000  
1 1 1 16 0  17  f 19.340  0.9168 0.000000       0.000000  
1 1 1 16 0  18  o 34.410  1.4070 0.000000       0.000000  
1 1 1 16 0  19  o 2.5280  1.6360 0.000000       0.000000  
1 1 1 16 0  20  o 4.7060  2.0950 0.000000       0.000000  
1 1 1 16 0  22  o 1.2360  0.8743 0.000000       0.000000  
1 1 1 16 0  23  o 15.710  0.7361 0.000000       0.000000  
1 1 1 16 0  24  o 7.7710  0.8074 0.000000       0.000000  
1 1 1 16 0  25  o 16.440  0.7461 0.000000       0.000000  
1 1 1 16 0  26  o 12.540  0.6905 0.000000       0.000000  
1 1 1 16 0  27  o 14.340  0.7383 0.000000       0.000000  
1 1 1 16 0  28  o 20.350  0.8952 0.000000       0.000000  
1 1 1 16 0  29  o 15.010  0.8195 0.000000       0.000000  
1 1 1 16 0  30  f 18.040  0.8890 0.000000       0.000000  
1 1 1 16 0  31  o 16.100  0.8814 0.000000       0.000000  
1 1 1 16 0  32  o 11.150  1.0450 0.000000       0.000000  
1 1 1 16 0  33  o 15.140  0.9617 0.000000       0.000000  
1 1 1 16 0  34  o 11.480  1.1130 0.000000       0.000000  
1 1 1 16 0  35  o 33.810  1.4030 0.000000       0.000000  
1 1 1 16 0  36  o 22.340  1.0900 0.000000       0.000000  
1 1 1 16 0  37  o 10.030  1.4340 0.000000       0.000000  
1 1 1 16 0  38  o 6.5770  2.3160 0.000000       0.000000  
1 1 1 16 0  39  o 9.6280  1.7050 0.000000       0.000000  
1 1 1 16 0  40  o 5.7470  2.4960 0.000000       0.000000  
1 1 1 16 0  41  o 10.750  1.7240 0.000000       0.000000  
1 1 1 16 0  42  o 4.0630  2.4030 0.000000       0.000000  
1 1 1 16 0  43  o 10.640  1.9280 0.000000       0.000000  
1 1 1 16 0  44  o 3.9890  2.4100 0.000000       0.000000  
1 1 1 16 0  45  o 9.1000  2.4810 0.000000       0.000000  
1 1 1 16 0  46  o 11.710  1.9490 0.000000       0.000000  
1 1 1 16 0  47  o 3.8070  2.4470 0.000000       0.000000  
1 1 1 16 0  49  o 7.0390  3.1950 0.000000       0.000000  
1 1 1 16 0  50  o 12.990  2.1270 0.000000       0.000000  
1 1 1 16 0  51  o 3.2420  2.2460 0.000000       0.000000  
1 1 1 16 0  52  o 5.9990  3.2240 0.000000       0.000000  
1 1 1 16 0  53  o 4.0890  2.6770 0.000000       0.000000  
1 1 1 16 0  54  o 4.7890  2.9980 0.000000       0.000000  
1 1 1 16 0  55  o 12.260  3.1090 0.000000       0.000000  
1 1 1 16 0  56  o 7.7130  3.6960 0.000000       0.000000  
1 1 1 16 0  57  f 6.0040  3.4340 0.000000       0.000000  
1 1 1 16 0  58  o 4.3140  2.8610 0.000000       0.000000  
1 1 1 16 0  59  o 13.830  2.7800 0.000000       0.000000  
1 1 1 16 0  60  o 8.0250  3.7520 0.000000       0.000000  
1 1 1 16 0  61  o 7.4790  3.7590 0.000000       0.000000  
1 1 1 16 0  62  o 4.8130  3.1220 0.000000       0.000000  
1 1 1 16 0  63  f 3.6450  2.5740 0.000000       0.000000  
1 1 1 16 0  64  o 4.8350  3.2090 0.000000       0.000000  
1 1 1 16 0  65  o 17.450  2.9350 0.000000       0.000000  
1 1 1 16 0  66  o 8.7600  4.1180 0.000000       0.000000  
1 1 1 16 0  67  o 3.8240  2.6820 0.000000       0.000000  
1 1 1 16 0  68  o 4.5620  3.0190 -0.000000      0.000000  
1 1 1 16 0  69  o 3.5240  2.5050 0.000000       0.000000  
1 1 1 16 0  70  o 3.8480  2.6720 0.000000       0.000000  
1 1 1 16 0  71  o 5.4430  3.4270 0.000000       0.000000  
1 1 1 16 0  72  o 3.6160  2.5640 0.000000       0.000000  
1 1 1 16 0  73  o 5.2180  3.4090 -0.000000      0.000000  
1 1 1 16 0  74  o 5.3650  3.4350 0.000000       0.000000  
1 1 1 16 0  75  o 5.4990  3.4790 0.000000       0.000000  
1 1 1 16 0  76  f 4.5150  2.9960 -0.000000      0.000000  
1 1 1 16 0  77  o 4.1070  2.7630 0.000000       0.000000  
1 1 1 16 0  78  o 2.9570  2.1150 0.000000       0.000000  
1 1 1 16 0  79  o 3.8430  2.5180 0.000000       0.000000  
1 1 1 16 1  0   o 34.620  0.9766 -0.000000      0.000000  
1 1 1 16 1  1   o 21.080  0.6350 ?              ?         
1 1 1 16 1  2   o 38.540  0.9324 1.739000       1.865000  
1 1 1 16 1  3   o 21.000  0.8945 ?              ?         
1 1 1 16 1  4   o 45.030  1.0850 2.863000       2.170000  
1 1 1 16 1  5   o 35.520  0.8761 -2.097000      1.752000  
1 1 1 16 1  6   o 23.850  0.6878 -0.8716000     1.376000  
1 1 1 16 1  7   o 12.930  0.4610 -1.486000      0.9221000 
1 1 1 16 1  8   o 29.010  0.8228 0.5133000      1.646000  
1 1 1 16 1  9   o 20.390  0.6060 0.6309000      1.212000  
1 1 1 16 1  10  o 19.310  0.5898 1.296000       1.180000  
1 1 1 16 1  11  o 23.660  0.9894 ?              ?         
1 1 1 16 1  12  o 56.330  2.2580 ?              ?         
1 1 1 16 1  13  o 39.600  1.5890 ?              ?         
1 1 1 16 1  14  o 45.410  1.8190 ?              ?         
1 1 1 16 1  15  f 24.520  1.0440 ?              ?         
1 1 1 16 1  16  o 21.330  0.9641 ?              ?         
1 1 1 16 1  17  o 31.050  1.2520 ?              ?         
1 1 1 16 1  18  o 45.750  1.2960 0.1647000      2.592000  
1 1 1 16 1  19  o 20.470  0.6561 -3.412000      1.312000  
1 1 1 16 1  20  o 45.820  1.3020 -1.177000      2.604000  
1 1 1 16 1  21  o 15.180  0.6411 1.768000       1.282000  
1 1 1 16 1  22  o 35.280  1.0150 -4.466000      2.031000  
1 1 1 16 1  23  o 27.340  0.8270 3.753000       1.654000  
1 1 1 16 1  24  o 10.840  0.7552 -0.7805000E-01 1.510000  
1 1 1 16 1  25  o 9.6130  0.8886 0.5716000E-01  1.777000  
1 1 1 16 1  26  o 26.920  1.0990 ?              ?         
1 1 1 16 1  27  o 19.640  0.8760 ?              ?         
1 1 1 16 1  28  o 27.870  0.7133 -0.3322000     1.427000  
1 1 1 16 1  29  o 24.830  0.7416 1.223000       1.483000  
1 1 1 16 1  30  o 27.470  0.8086 0.2981000      1.617000  
1 1 1 16 1  31  o 14.340  0.6267 -1.031000      1.253000  
1 1 1 16 1  32  o 22.900  0.7258 -1.649000      1.452000  
1 1 1 16 1  33  o 22.420  0.7310 1.562000       1.462000  
1 1 1 16 1  34  o 29.440  0.8820 -0.7431000     1.764000  
1 1 1 16 1  35  o 19.300  0.7238 1.819000       1.448000  
1 1 1 16 1  36  o 15.570  0.7458 -0.4828000E-01 1.492000  
1 1 1 16 1  37  o 27.110  0.8580 0.1932000      1.716000  
1 1 1 16 1  38  o 22.420  0.8101 3.617000       1.620000  
1 1 1 16 1  39  o 26.630  0.8731 -0.3529000     1.746000  
1 1 1 16 1  40  o 14.350  0.9248 1.532000       1.850000  
1 1 1 16 1  41  o 15.870  0.8941 1.010000       1.788000  
1 1 1 16 1  42  o 4.7660  1.3960 -2.449000      2.792000  
1 1 1 16 1  43  o 8.4370  1.5030 2.899000       3.007000  
1 1 1 16 1  44  o 10.900  1.2940 -0.3186000     2.587000  
1 1 1 16 1  45  o 19.510  0.9566 -0.9584000     1.913000  
1 1 1 16 1  46  o 7.9780  1.6950 1.382000       3.390000  
1 1 1 16 1  47  o 6.6320  1.7250 -0.9706000E-02 3.451000  
1 1 1 16 1  48  o 13.440  1.3280 2.642000       2.656000  
1 1 1 16 1  49  o 7.1330  1.7720 2.003000       3.543000  
1 1 1 16 1  50  o 17.030  1.2180 0.4003000      2.436000  
1 1 1 16 1  51  o 15.780  1.2670 0.1231000      2.533000  
1 1 1 16 1  52  o 8.9210  1.8850 0.1708000      3.770000  
1 1 1 16 1  53  o 5.2280  2.4080 ?              ?         
1 1 1 16 1  54  o 14.840  1.5140 -0.8754000     3.028000  
1 1 1 16 1  55  o 6.4630  1.9170 0.1768000      3.834000  
1 1 1 16 1  56  o 10.330  2.0560 -3.660000      4.113000  
1 1 1 16 1  57  o 17.640  1.5150 3.407000       3.031000  
1 1 1 16 1  58  o 8.4240  2.1060 1.730000       4.211000  
1 1 1 16 1  59  o 4.7360  1.6150 -0.4707000     3.230000  
1 1 1 16 1  60  o 8.3440  2.1410 -1.876000      4.283000  
1 1 1 16 1  61  o 7.8620  2.1350 -1.739000      4.269000  
1 1 1 16 1  62  o 5.6850  1.8530 0.8318000      3.706000  
1 1 1 16 1  63  o 7.2690  2.0970 3.127000       4.193000  
1 1 1 16 1  64  o 14.920  2.0980 1.004000       4.197000  
1 1 1 16 1  65  o 5.7200  1.9180 0.7397000      3.836000  
1 1 1 16 1  66  o 9.9530  2.3500 0.8746000      4.700000  
1 1 1 16 1  67  o 11.230  2.4080 -0.2064000     4.817000  
1 1 1 16 1  68  o 5.9530  1.9150 -1.778000      3.830000  
1 1 1 16 1  69  o 8.9200  2.3060 -1.247000      4.613000  
1 1 1 16 1  70  o 5.1890  1.7650 0.4358000      3.529000  
1 1 1 16 1  71  f 7.2580  2.2220 -1.949000      4.443000  
1 1 1 16 1  72  o 5.6280  1.8910 -2.127000      3.782000  
1 1 1 16 1  73  o 5.1250  1.7720 1.413000       3.544000  
1 1 1 16 1  74  o 4.9560  1.7250 0.1863000E-01  3.451000  
1 1 1 16 1  75  o 4.6780  1.6250 -0.6234000     3.250000  
1 1 1 16 1  76  f 5.0990  1.7350 -0.2810000     3.470000  
1 1 1 16 1  77  o 4.3690  1.5180 0.1398000      3.036000  
1 1 1 16 1  78  o 3.5070  1.2480 0.1890000      2.496000  
1 1 1 16 1  79  o 3.9420  1.3490 -0.6000000     2.698000  
1 1 1 16 2  0   o 48.020  1.9090 0.000000       0.000000  
1 1 1 16 2  1   o 23.080  0.9744 ?              ?         
1 1 1 16 2  2   o 35.100  0.7978 3.462000       1.596000  
1 1 1 16 2  3   o 26.920  0.6633 -3.816000      1.327000  
1 1 1 16 2  4   o 23.440  0.5702 0.1578000      1.140000  
1 1 1 16 2  5   o 22.860  0.5595 -0.8197000     1.119000  
1 1 1 16 2  6   o 32.100  0.7869 0.7546000      1.574000  
1 1 1 16 2  7   o 50.110  1.2030 6.909000       2.405000  
1 1 1 16 2  8   o 23.040  0.7871 -19.34000      1.574000  
1 1 1 16 2  9   o 21.020  0.8940 ?              ?         
1 1 1 16 2  10  o 17.040  0.7864 ?              ?         
1 1 1 16 2  11  o 24.980  1.0350 ?              ?         
1 1 1 16 2  12  o 29.800  1.2170 ?              ?         
1 1 1 16 2  13  o 19.780  0.8981 ?              ?         
1 1 1 16 2  14  o 23.520  1.0110 ?              ?         
1 1 1 16 2  15  o 13.940  0.5914 -6.016000      1.183000  
1 1 1 16 2  16  o 49.420  1.3980 3.441000       2.796000  
1 1 1 16 2  17  o 31.570  0.9112 3.789000       1.822000  
1 1 1 16 2  18  o 33.700  0.9677 -0.2531000     1.935000  
1 1 1 16 2  19  o 32.180  0.9280 1.699000       1.856000  
1 1 1 16 2  20  o 24.480  1.0130 ?              ?         
1 1 1 16 2  21  o 25.450  0.7681 -1.230000      1.536000  
1 1 1 16 2  22  o 11.060  0.7542 2.189000       1.508000  
1 1 1 16 2  23  f 19.080  0.6711 -0.3406000     1.342000  
1 1 1 16 2  24  o 49.550  1.4210 -7.763000      2.841000  
1 1 1 16 2  25  o 42.590  1.2330 7.310000       2.467000  
1 1 1 16 2  26  o 13.850  0.9216 7.539000       1.843000  
1 1 1 16 2  27  o 19.150  0.7191 -3.235000      1.438000  
1 1 1 16 2  28  o 32.500  1.3220 ?              ?         
1 1 1 16 2  29  o 14.660  0.8586 ?              ?         
1 1 1 16 2  30  o 23.260  0.6376 -0.9335000     1.275000  
1 1 1 16 2  31  o 7.7590  0.8834 4.066000       1.767000  
1 1 1 16 2  32  o 4.2940  1.0710 -1.609000      2.142000  
1 1 1 16 2  33  o 20.930  0.6306 -1.249000      1.261000  
1 1 1 16 2  34  f 28.510  0.7736 1.676000       1.547000  
1 1 1 16 2  35  o 23.410  0.6865 -2.751000      1.373000  
1 1 1 16 2  36  o 36.330  0.9313 -1.361000      1.863000  
1 1 1 16 2  37  o 23.840  0.8231 2.625000       1.646000  
1 1 1 16 2  38  o 29.850  0.9340 -3.102000      1.868000  
1 1 1 16 2  39  o 10.570  1.4080 ?              ?         
1 1 1 16 2  40  o 5.2060  1.4410 0.6288000      2.883000  
1 1 1 16 2  41  f 25.300  0.8873 -0.8601000     1.775000  
1 1 1 16 2  42  o 8.5690  1.5310 1.941000       3.061000  
1 1 1 16 2  43  o 16.620  0.9885 1.823000       1.977000  
1 1 1 16 2  44  o 11.120  1.4270 3.494000       2.854000  
1 1 1 16 2  45  o 15.190  1.1450 2.940000       2.291000  
1 1 1 16 2  46  o 15.170  1.1200 0.6502000      2.241000  
1 1 1 16 2  47  o 14.330  1.2120 -1.166000      2.425000  
1 1 1 16 2  48  f 4.7900  1.4850 1.946000       2.969000  
1 1 1 16 2  49  o 20.480  1.0590 1.273000       2.117000  
1 1 1 16 2  50  o 10.060  1.7900 0.3033000      3.579000  
1 1 1 16 2  51  o 6.5270  1.8110 0.8814000      3.622000  
1 1 1 16 2  52  o 5.7840  1.7570 -0.3076000     3.514000  
1 1 1 16 2  53  o 6.4330  1.7180 3.600000       3.436000  
1 1 1 16 2  54  o 6.9040  1.9440 -1.445000      3.887000  
1 1 1 16 2  55  o 9.1440  2.0640 -1.166000      4.129000  
1 1 1 16 2  56  o 5.2870  1.7240 -0.4374000     3.448000  
1 1 1 16 2  57  o 6.2900  1.8930 -2.692000      3.786000  
1 1 1 16 2  58  f 5.4710  2.5150 ?              ?         
1 1 1 16 2  59  o 5.7090  1.8240 -0.3390000     3.648000  
1 1 1 16 2  60  o 8.9180  2.1700 -0.7440000E-01 4.339000  
1 1 1 16 2  61  o 7.6980  2.1510 -1.436000      4.302000  
1 1 1 16 2  62  o 6.2880  1.9850 -2.058000      3.970000  
1 1 1 16 2  63  o 9.0490  2.2940 1.397000       4.588000  
1 1 1 16 2  64  o 6.3900  2.0500 -0.4106000     4.099000  
1 1 1 16 2  65  o 9.6030  2.3480 1.154000       4.696000  
1 1 1 16 2  66  o 5.6460  1.8850 -1.028000      3.771000  
1 1 1 16 2  67  o 7.5670  2.2240 -0.2613000     4.448000  
1 1 1 16 2  68  o 6.2160  1.9610 -0.5478000     3.923000  
1 1 1 16 2  69  o 6.3120  2.0000 0.2526000      3.999000  
1 1 1 16 2  70  o 6.2400  1.9930 0.8408000      3.986000  
1 1 1 16 2  71  o 5.3650  1.8210 -1.089000      3.642000  
1 1 1 16 2  72  o 5.1430  1.7810 -0.9498000     3.562000  
1 1 1 16 2  73  o 5.5450  1.8870 0.1196000E-01  3.774000  
1 1 1 16 2  74  o 5.0130  1.7260 -0.3695000     3.453000  
1 1 1 16 2  75  o 4.8140  1.6600 0.4723000      3.321000  
1 1 1 16 2  76  o 4.4220  1.5510 0.1034000      3.102000  
1 1 1 16 2  77  o 4.1010  1.4330 -0.3148000     2.866000  
1 1 1 16 2  78  o 4.4020  1.4790 0.5377000      2.959000  
1 1 1 16 2  79  o 3.8570  1.3330 0.6847000      2.666000  
1 1 1 16 3  0   o 41.100  1.1710 -0.000000      0.000000  
1 1 1 16 3  2   f 33.060  0.6819 1.337000       1.364000  
1 1 1 16 3  3   f 25.450  0.5644 -1.938000      1.129000  
1 1 1 16 3  4   o 17.350  0.4376 -0.5656000     0.8752000 
1 1 1 16 3  5   o 34.370  0.7020 2.496000       1.404000  
1 1 1 16 3  6   o 15.820  0.8856 ?              ?         
1 1 1 16 3  7   o 15.320  0.5802 -0.8423000     1.160000  
1 1 1 16 3  8   o 36.260  0.9405 6.013000       1.881000  
1 1 1 16 3  9   o 16.240  0.9425 ?              ?         
1 1 1 16 3  10  f 26.300  1.1550 ?              ?         
1 1 1 16 3  11  o 53.740  1.3290 0.1371000E-01  2.658000  
1 1 1 16 3  12  o 20.760  0.9250 ?              ?         
1 1 1 16 3  13  o 44.970  1.1100 -0.4651000     2.221000  
1 1 1 16 3  14  o 41.440  1.1730 2.315000       2.346000  
1 1 1 16 3  15  o 39.990  1.1400 -7.844000      2.280000  
1 1 1 16 3  16  o 31.250  0.9052 2.929000       1.810000  
1 1 1 16 3  17  f 40.620  1.1570 1.064000       2.314000  
1 1 1 16 3  18  o 14.410  0.6114 -1.306000      1.223000  
1 1 1 16 3  19  o 13.640  0.6273 1.320000       1.255000  
1 1 1 16 3  20  o 38.020  1.0880 -0.1549000     2.177000  
1 1 1 16 3  21  o 39.390  1.1360 2.688000       2.272000  
1 1 1 16 3  22  o 19.740  0.6860 2.235000       1.372000  
1 1 1 16 3  23  o 22.740  0.7462 3.213000       1.492000  
1 1 1 16 3  24  o 11.060  0.7720 -1.017000      1.544000  
1 1 1 16 3  25  o 40.760  1.1730 -6.672000      2.346000  
1 1 1 16 3  26  o 18.120  0.8009 8.494000       1.602000  
1 1 1 16 3  27  o 7.8660  1.1570 2.977000       2.314000  
1 1 1 16 3  28  o 22.680  0.7825 -1.082000      1.565000  
1 1 1 16 3  29  f 16.970  0.7765 -0.5218000     1.553000  
1 1 1 16 3  30  o 10.750  1.0320 ?              ?         
1 1 1 16 3  31  o 27.870  0.7240 -3.847000      1.448000  
1 1 1 16 3  32  o 15.170  0.6391 3.248000       1.278000  
1 1 1 16 3  33  o 19.240  0.6508 3.036000       1.302000  
1 1 1 16 3  34  o 17.070  0.6456 -0.2851000     1.291000  
1 1 1 16 3  35  o 26.180  0.9351 5.313000       1.870000  
1 1 1 16 3  36  o 8.8180  1.1010 1.580000       2.201000  
1 1 1 16 3  37  o 17.870  0.7069 -1.054000      1.414000  
1 1 1 16 3  38  o 16.260  0.7583 1.922000       1.517000  
1 1 1 16 3  39  o 8.0720  1.2050 7.051000       2.409000  
1 1 1 16 3  40  o 30.160  0.8540 0.5659000      1.708000  
1 1 1 16 3  41  f 18.610  0.8292 5.102000       1.658000  
1 1 1 16 3  42  o 20.450  0.7967 -4.069000      1.593000  
1 1 1 16 3  43  o 19.950  0.8464 3.260000       1.693000  
1 1 1 16 3  44  o 23.780  0.9733 1.738000       1.947000  
1 1 1 16 3  45  o 6.5240  1.6390 1.605000       3.279000  
1 1 1 16 3  46  o 25.560  1.0090 2.909000       2.018000  
1 1 1 16 3  47  o 9.0920  1.7050 2.092000       3.409000  
1 1 1 16 3  48  o 6.4480  1.7840 -1.414000      3.568000  
1 1 1 16 3  49  o 7.9890  1.7320 3.149000       3.464000  
1 1 1 16 3  50  o 8.0950  1.8760 -1.298000      3.751000  
1 1 1 16 3  51  o 15.490  1.3260 -1.562000      2.651000  
1 1 1 16 3  52  o 6.1300  1.7990 0.6431000      3.599000  
1 1 1 16 3  53  o 15.620  1.5300 3.185000       3.060000  
1 1 1 16 3  54  o 8.3930  2.0060 1.320000       4.012000  
1 1 1 16 3  55  o 7.9460  2.0490 -1.516000      4.099000  
1 1 1 16 3  56  o 7.3320  2.0100 -1.290000      4.019000  
1 1 1 16 3  57  o 5.9330  1.7840 1.758000       3.568000  
1 1 1 16 3  58  f 5.5050  1.7720 -0.3843000     3.545000  
1 1 1 16 3  59  o 6.8980  1.9010 2.622000       3.802000  
1 1 1 16 3  60  o 13.130  1.9250 -3.785000      3.850000  
1 1 1 16 3  61  o 6.2350  1.9270 -2.426000      3.853000  
1 1 1 16 3  62  o 7.5710  2.1250 0.2181000      4.251000  
1 1 1 16 3  63  o 8.6040  3.3070 ?              ?         
1 1 1 16 3  64  o 6.8390  2.0290 2.186000       4.057000  
1 1 1 16 3  65  o 8.5590  2.2200 1.582000       4.440000  
1 1 1 16 3  66  o 5.8920  1.8960 0.4974000      3.793000  
1 1 1 16 3  67  o 9.6910  2.1870 0.4255000      4.374000  
1 1 1 16 3  68  o 4.7090  1.6120 0.3621000      3.223000  
1 1 1 16 3  69  f 6.2450  1.9460 -1.141000      3.892000  
1 1 1 16 3  70  o 5.4620  1.8220 -0.6199000E-01 3.645000  
1 1 1 16 3  71  o 7.8520  2.2640 -0.4320000     4.528000  
1 1 1 16 3  72  o 5.4800  1.8390 0.7011000      3.679000  
1 1 1 16 3  73  o 5.6740  1.8950 -1.019000      3.790000  
1 1 1 16 3  74  o 4.7130  1.6270 -1.087000      3.255000  
1 1 1 16 3  75  o 4.4980  1.5720 0.7144000      3.144000  
1 1 1 16 3  76  o 4.8190  1.6600 -0.5387000     3.319000  
1 1 1 16 3  77  o 3.7450  1.3270 0.5760000      2.654000  
1 1 1 16 3  78  o 4.5120  1.4810 -0.1765000     2.962000  
1 1 1 16 3  79  o 4.5160  2.1540 ?              ?         
1 1 1 16 4  0   o 51.740  1.4540 0.000000       0.000000  
1 1 1 16 4  1   o 50.440  2.0190 ?              ?         
1 1 1 16 4  2   o 55.060  1.0950 -0.2744000E-01 2.189000  
1 1 1 16 4  3   o 27.950  0.8335 ?              ?         
1 1 1 16 4  4   o 33.700  0.6931 0.6670000      1.386000  
1 1 1 16 4  5   o 21.380  0.6783 ?              ?         
1 1 1 16 4  6   o 34.210  0.8765 2.804000       1.753000  
1 1 1 16 4  7   o 33.600  0.8605 0.9159000      1.721000  
1 1 1 16 4  8   o 43.680  1.0960 2.203000       2.191000  
1 1 1 16 4  9   o 35.690  0.9156 2.585000       1.831000  
1 1 1 16 4  10  o 32.600  0.6925 -4.031000      1.385000  
1 1 1 16 4  11  o 32.370  0.6799 1.281000       1.360000  
1 1 1 16 4  12  o 20.170  0.6903 ?              ?         
1 1 1 16 4  13  o 38.190  1.0900 ?              ?         
1 1 1 16 4  14  o 29.610  1.2140 ?              ?         
1 1 1 16 4  15  o 41.280  1.0450 4.075000       2.090000  
1 1 1 16 4  16  o 30.700  1.2520 ?              ?         
1 1 1 16 4  17  o 10.790  0.7225 3.588000       1.445000  
1 1 1 16 4  18  o 45.910  1.1480 1.734000       2.297000  
1 1 1 16 4  19  o 20.930  0.9179 ?              ?         
1 1 1 16 4  20  o 39.180  0.9903 0.6729000      1.981000  
1 1 1 16 4  21  o 21.820  0.9457 ?              ?         
1 1 1 16 4  22  o 27.220  0.7463 -0.5307000E-01 1.493000  
1 1 1 16 4  23  o 20.370  0.6517 0.2651000      1.303000  
1 1 1 16 4  24  o 25.900  0.7335 -0.4213000     1.467000  
1 1 1 16 4  25  o 35.370  0.9112 -1.888000      1.822000  
1 1 1 16 4  26  o 31.040  0.8596 4.378000       1.719000  
1 1 1 16 4  27  o 41.290  1.0380 -2.763000      2.077000  
1 1 1 16 4  28  o 38.070  0.9776 -2.283000      1.955000  
1 1 1 16 4  29  o 13.110  0.7450 16.24000       1.490000  
1 1 1 16 4  30  o 11.450  0.5753 0.4988000      1.151000  
1 1 1 16 4  31  o 30.860  0.8538 -0.6971000     1.708000  
1 1 1 16 4  32  o 24.470  0.6884 3.016000       1.377000  
1 1 1 16 4  33  o 45.150  1.0500 -4.452000      2.099000  
1 1 1 16 4  34  o 33.670  0.9127 6.200000       1.825000  
1 1 1 16 4  35  o 25.950  0.7410 -1.804000      1.482000  
1 1 1 16 4  36  f 17.030  0.7342 2.110000       1.468000  
1 1 1 16 4  37  o 15.940  0.8151 4.749000       1.630000  
1 1 1 16 4  38  o 31.550  0.8619 -0.5532000     1.724000  
1 1 1 16 4  39  o 16.980  0.8554 7.162000       1.711000  
1 1 1 16 4  40  o 32.750  0.8925 -0.7588000     1.785000  
1 1 1 16 4  41  o 22.130  0.7981 -0.3261000     1.596000  
1 1 1 16 4  42  o 26.770  0.8381 2.374000       1.676000  
1 1 1 16 4  43  o 13.930  0.9754 1.292000       1.951000  
1 1 1 16 4  44  o 22.280  0.8234 -1.516000      1.647000  
1 1 1 16 4  45  o 10.630  1.3490 2.414000       2.698000  
1 1 1 16 4  46  o 19.600  0.8688 -1.768000      1.738000  
1 1 1 16 4  47  o 14.590  1.1260 3.315000       2.252000  
1 1 1 16 4  48  o 12.150  1.2800 -0.2631000     2.560000  
1 1 1 16 4  49  o 8.0670  1.6560 2.476000       3.312000  
1 1 1 16 4  50  o 9.8750  1.7900 -0.2688000     3.580000  
1 1 1 16 4  51  o 7.6700  1.9260 0.7620000E-01  3.851000  
1 1 1 16 4  52  o 13.600  1.6210 3.087000       3.243000  
1 1 1 16 4  53  f 10.620  1.9690 -2.325000      3.938000  
1 1 1 16 4  54  o 15.900  1.5830 3.443000       3.166000  
1 1 1 16 4  55  o 13.470  1.7920 7.775000       3.584000  
1 1 1 16 4  56  o 6.8630  1.9920 -2.112000      3.984000  
1 1 1 16 4  57  o 5.6670  1.7700 0.5718000      3.539000  
1 1 1 16 4  58  o 10.600  2.0660 -1.088000      4.131000  
1 1 1 16 4  59  o 5.5760  1.8100 -1.794000      3.620000  
1 1 1 16 4  60  o 8.5120  2.1420 -1.744000      4.283000  
1 1 1 16 4  61  o 10.0000 2.1800 -3.732000      4.361000  
1 1 1 16 4  62  o 9.1610  2.2550 -3.326000      4.510000  
1 1 1 16 4  63  o 5.4090  1.7850 0.5649000      3.569000  
1 1 1 16 4  64  o 6.4310  1.9900 0.4559000E-01  3.979000  
1 1 1 16 4  65  o 6.4500  1.9790 -2.059000      3.958000  
1 1 1 16 4  66  o 5.0360  1.6970 -0.6663000     3.394000  
1 1 1 16 4  67  o 6.2080  1.9150 0.9887000      3.829000  
1 1 1 16 4  68  o 5.9660  1.8660 -1.877000      3.732000  
1 1 1 16 4  69  o 4.9300  2.3740 ?              ?         
1 1 1 16 4  70  o 6.1190  1.9590 -0.3775000     3.918000  
1 1 1 16 4  71  o 7.3030  2.1150 0.7732000      4.229000  
1 1 1 16 4  72  o 5.0280  1.7120 -0.9024000     3.425000  
1 1 1 16 4  73  o 5.7900  1.8690 0.4310000      3.738000  
1 1 1 16 4  74  o 4.6740  1.5980 -0.7294000     3.195000  
1 1 1 16 4  75  o 5.1820  1.7320 -0.6217000     3.463000  
1 1 1 16 4  76  o 4.4580  1.5350 0.7384000      3.070000  
1 1 1 16 4  77  o 4.2990  1.4610 1.075000       2.923000  
1 1 1 16 4  78  o 4.8370  2.2580 ?              ?         
1 1 1 16 5  0   o 31.210  0.9317 -0.000000      0.000000  
1 1 1 16 5  1   f 40.860  0.8233 1.670000       1.647000  
1 1 1 16 5  2   o 33.100  0.8460 -4.755000      1.692000  
1 1 1 16 5  3   o 32.770  0.9616 ?              ?         
1 1 1 16 5  4   o 60.620  1.2110 -1.207000      2.421000  
1 1 1 16 5  6   o 35.420  1.0160 ?              ?         
1 1 1 16 5  7   o 26.130  0.7172 -0.9151000     1.434000  
1 1 1 16 5  8   o 39.200  1.1170 ?              ?         
1 1 1 16 5  9   o 24.840  0.7717 ?              ?         
1 1 1 16 5  10  o 24.710  0.5698 -2.315000      1.140000  
1 1 1 16 5  11  o 19.690  0.5070 -1.072000      1.014000  
1 1 1 16 5  12  o 42.210  0.8576 2.526000       1.715000  
1 1 1 16 5  13  o 29.240  0.8704 ?              ?         
1 1 1 16 5  14  o 21.300  0.5384 -1.798000      1.077000  
1 1 1 16 5  15  o 12.780  0.6657 ?              ?         
1 1 1 16 5  16  o 18.050  0.5195 -0.1558000     1.039000  
1 1 1 16 5  17  o 10.110  0.7053 -2.714000      1.411000  
1 1 1 16 5  18  o 19.220  0.5993 -2.505000      1.199000  
1 1 1 16 5  19  o 20.310  0.6398 0.4486000      1.280000  
1 1 1 16 5  20  o 31.910  0.8273 -0.4962000     1.655000  
1 1 1 16 5  21  o 38.890  0.9762 -1.433000      1.952000  
1 1 1 16 5  22  o 25.070  0.7405 3.372000       1.481000  
1 1 1 16 5  23  o 27.840  0.7565 -1.762000      1.513000  
1 1 1 16 5  24  o 34.690  0.9124 1.024000       1.825000  
1 1 1 16 5  25  o 23.260  0.7131 0.5220000      1.426000  
1 1 1 16 5  26  o 37.250  0.9592 -1.188000      1.918000  
1 1 1 16 5  27  o 21.160  0.7180 1.858000       1.436000  
1 1 1 16 5  28  o 15.860  0.5832 0.6886000      1.166000  
1 1 1 16 5  29  o 23.880  0.6341 -1.670000      1.268000  
1 1 1 16 5  30  o 26.720  0.6519 -2.311000      1.304000  
1 1 1 16 5  31  o 22.980  0.6417 5.928000       1.283000  
1 1 1 16 5  32  o 29.760  0.7034 -4.034000      1.407000  
1 1 1 16 5  33  o 36.550  0.8806 2.982000       1.761000  
1 1 1 16 5  34  o 11.570  0.9947 6.550000       1.989000  
1 1 1 16 5  35  o 28.440  0.7695 0.7093000      1.539000  
1 1 1 16 5  36  o 33.840  0.8449 -1.931000      1.690000  
1 1 1 16 5  37  o 31.150  0.8124 -0.7200000     1.625000  
1 1 1 16 5  38  o 27.300  0.7947 4.360000       1.589000  
1 1 1 16 5  39  o 33.800  0.8759 -0.5443000     1.752000  
1 1 1 16 5  40  o 11.490  1.2070 11.48000       2.415000  
1 1 1 16 5  41  o 9.1080  1.2900 0.9461000E-01  2.580000  
1 1 1 16 5  42  o 12.960  0.9691 -1.664000      1.938000  
1 1 1 16 5  43  o 20.200  0.8008 1.751000       1.602000  
1 1 1 16 5  44  o 6.7510  1.5350 -1.868000      3.070000  
1 1 1 16 5  45  o 19.660  0.8287 0.3795000      1.657000  
1 1 1 16 5  46  o 5.3980  1.5370 -0.7980000E-02 3.074000  
1 1 1 16 5  47  o 14.220  1.0660 -3.612000      2.132000  
1 1 1 16 5  48  o 22.860  0.8791 2.620000       1.758000  
1 1 1 16 5  49  o 16.080  1.0130 -0.4096000     2.027000  
1 1 1 16 5  50  o 13.510  1.2050 1.611000       2.409000  
1 1 1 16 5  51  o 5.1290  1.5590 0.5972000      3.119000  
1 1 1 16 5  52  o 7.4180  1.7610 -2.337000      3.523000  
1 1 1 16 5  53  o 5.9390  1.7200 -0.6595000     3.440000  
1 1 1 16 5  54  o 10.550  1.6760 0.8592000      3.353000  
1 1 1 16 5  55  f 9.9610  1.6980 1.871000       3.397000  
1 1 1 16 5  56  o 11.840  1.6760 -3.177000      3.353000  
1 1 1 16 5  57  o 10.820  1.8010 0.7712000E-01  3.602000  
1 1 1 16 5  58  o 6.4130  1.8480 -0.3425000     3.695000  
1 1 1 16 5  59  o 10.640  1.8700 -0.6578000     3.739000  
1 1 1 16 5  60  o 8.8300  2.0070 -0.2031000     4.013000  
1 1 1 16 5  61  o 6.3300  1.8780 -0.9577000     3.756000  
1 1 1 16 5  62  o 5.6730  1.7970 -0.5961000     3.595000  
1 1 1 16 5  63  f 6.1320  1.8890 -0.8054000E-01 3.778000  
1 1 1 16 5  64  o 7.1320  1.9390 3.350000       3.878000  
1 1 1 16 5  65  f 5.6090  1.7900 0.1688000      3.579000  
1 1 1 16 5  66  o 4.9150  1.6430 -0.2462000     3.287000  
1 1 1 16 5  67  o 5.5450  1.7830 0.4965000      3.566000  
1 1 1 16 5  68  o 4.9570  1.6560 0.7594000E-01  3.313000  
1 1 1 16 5  69  o 6.7930  1.9700 -0.1613000     3.941000  
1 1 1 16 5  70  o 5.1590  1.7000 1.876000       3.400000  
1 1 1 16 5  71  o 6.1040  1.8840 -0.4484000     3.767000  
1 1 1 16 5  72  o 4.7220  1.6000 0.4924000      3.200000  
1 1 1 16 5  73  o 4.5350  1.5360 0.1862000      3.071000  
1 1 1 16 5  74  f 4.6860  1.5580 -0.4234000     3.115000  
1 1 1 16 5  75  o 4.2510  2.0390 ?              ?         
1 1 1 16 5  76  o 3.8570  1.8350 ?              ?         
1 1 1 16 5  77  o 4.7520  1.5030 0.9831000      3.006000  
1 1 1 16 5  78  o 3.7910  1.8620 ?              ?         
1 1 1 16 6  1   o 23.700  0.7638 ?              ?         
1 1 1 16 6  2   o 32.040  0.6635 1.364000       1.327000  
1 1 1 16 6  3   o 23.800  0.5372 -0.4907000     1.074000  
1 1 1 16 6  4   o 15.670  0.6147 ?              ?         
1 1 1 16 6  5   o 34.080  0.9784 ?              ?         
1 1 1 16 6  6   o 23.760  0.6125 -2.948000      1.225000  
1 1 1 16 6  7   f 29.620  0.7128 ?              ?         
1 1 1 16 6  8   o 50.500  1.1620 ?              ?         
1 1 1 16 6  9   o 25.270  0.6272 ?              ?         
1 1 1 16 6  10  o 32.050  0.6739 0.5416000      1.348000  
1 1 1 16 6  11  o 10.680  0.7298 ?              ?         
1 1 1 16 6  12  o 19.440  0.5150 -0.3011000     1.030000  
1 1 1 16 6  13  o 19.220  0.5262 0.6784000      1.052000  
1 1 1 16 6  14  o 11.450  0.5860 -4.189000      1.172000  
1 1 1 16 6  15  f 9.7500  0.6668 -0.8716000     1.334000  
1 1 1 16 6  16  o 30.890  0.6715 0.7169000      1.343000  
1 1 1 16 6  17  o 40.160  0.8300 -0.2224000     1.660000  
1 1 1 16 6  18  o 39.240  0.8214 -0.1933000     1.643000  
1 1 1 16 6  19  o 34.170  0.7407 -0.9267000     1.481000  
1 1 1 16 6  20  o 25.940  1.0970 ?              ?         
1 1 1 16 6  21  o 16.920  0.6548 0.4955000      1.310000  
1 1 1 16 6  22  o 32.920  0.8529 -1.959000      1.706000  
1 1 1 16 6  23  o 23.450  0.7065 -0.3060000     1.413000  
1 1 1 16 6  24  o 35.440  0.9091 -1.754000      1.818000  
1 1 1 16 6  25  o 20.150  0.9687 ?              ?         
1 1 1 16 6  26  o 23.470  0.7238 -0.8349000     1.448000  
1 1 1 16 6  27  o 21.680  0.6200 1.017000       1.240000  
1 1 1 16 6  28  o 13.080  0.5954 0.2430000      1.191000  
1 1 1 16 6  29  o 39.500  0.8810 -4.489000      1.762000  
1 1 1 16 6  30  o 17.460  0.6877 6.403000       1.375000  
1 1 1 16 6  31  o 33.170  0.7716 -3.362000      1.543000  
1 1 1 16 6  32  o 11.290  0.7245 8.674000       1.449000  
1 1 1 16 6  33  o 21.500  0.6108 -4.694000      1.222000  
1 1 1 16 6  34  o 27.810  0.7471 -1.314000      1.494000  
1 1 1 16 6  35  o 19.610  0.6294 2.240000       1.259000  
1 1 1 16 6  36  f 6.2240  1.1210 4.346000       2.241000  
1 1 1 16 6  37  o 26.230  0.7477 -1.653000      1.495000  
1 1 1 16 6  38  o 10.680  1.3890 5.600000       2.779000  
1 1 1 16 6  39  o 5.5620  1.5040 0.7622000      3.008000  
1 1 1 16 6  40  o 14.850  1.0740 1.986000       2.148000  
1 1 1 16 6  41  f 21.420  0.9081 1.076000       1.816000  
1 1 1 16 6  42  o 18.020  0.9442 -5.538000      1.888000  
1 1 1 16 6  43  o 22.210  0.9789 3.175000       1.958000  
1 1 1 16 6  44  o 12.720  1.3670 -0.3879000E-01 2.734000  
1 1 1 16 6  45  o 17.660  1.0310 -1.282000      2.061000  
1 1 1 16 6  46  f 6.4210  1.5650 3.152000       3.130000  
1 1 1 16 6  47  o 15.880  1.1340 -2.276000      2.268000  
1 1 1 16 6  48  o 8.9460  1.5520 5.470000       3.105000  
1 1 1 16 6  49  o 5.3140  1.5170 2.426000       3.034000  
1 1 1 16 6  50  o 5.3320  1.6770 -1.475000      3.354000  
1 1 1 16 6  51  f 7.7940  1.8940 -2.638000      3.788000  
1 1 1 16 6  52  o 11.320  1.6720 -3.862000      3.345000  
1 1 1 16 6  53  o 15.480  1.3910 0.3180000      2.783000  
1 1 1 16 6  54  o 6.8920  1.8900 -0.6235000     3.781000  
1 1 1 16 6  55  o 7.5730  1.9640 -2.665000      3.927000  
1 1 1 16 6  56  o 10.640  1.8680 0.6612000E-01  3.735000  
1 1 1 16 6  57  f 7.2250  1.9130 0.6328000      3.825000  
1 1 1 16 6  58  o 7.5050  1.9120 1.018000       3.824000  
1 1 1 16 6  59  o 6.7990  1.9030 -2.993000      3.806000  
1 1 1 16 6  60  o 5.9520  1.8380 -1.629000      3.677000  
1 1 1 16 6  61  o 6.5410  2.0860 -1.489000      4.172000  
1 1 1 16 6  62  o 8.2240  2.3370 -4.457000      4.674000  
1 1 1 16 6  63  o 6.8290  2.0810 -0.1457000     4.162000  
1 1 1 16 6  64  o 5.3740  1.7830 0.4679000      3.566000  
1 1 1 16 6  65  o 6.4670  2.0840 -1.288000      4.167000  
1 1 1 16 6  66  o 5.0380  1.7280 0.2453000      3.457000  
1 1 1 16 6  67  o 7.1130  2.0960 2.395000       4.192000  
1 1 1 16 6  68  o 5.6360  1.8710 0.5828000      3.741000  
1 1 1 16 6  69  o 6.0290  1.9980 -2.243000      3.997000  
1 1 1 16 6  70  o 5.2080  1.7870 -0.6874000     3.574000  
1 1 1 16 6  71  o 5.1840  1.7390 1.660000       3.478000  
1 1 1 16 6  72  o 5.1480  1.7650 -0.8938000     3.529000  
1 1 1 16 6  73  o 4.4770  1.5750 -0.8113000     3.150000  
1 1 1 16 6  74  o 4.7490  1.6470 -0.3497000     3.295000  
1 1 1 16 6  75  o 4.9270  1.6640 -1.750000      3.328000  
1 1 1 16 6  76  o 4.1090  1.4120 -0.6004000     2.823000  
1 1 1 16 6  77  o 4.0520  1.9710 ?              ?         
1 1 1 16 6  78  o 3.6280  1.7990 ?              ?         
1 1 1 16 7  1   o 14.380  0.7184 ?              ?         
1 1 1 16 7  2   o 40.680  0.8207 0.6561000      1.641000  
1 1 1 16 7  4   o 15.010  0.4864 0.8972000      0.9727000 
1 1 1 16 7  5   o 19.550  0.4932 1.277000       0.9864000 
1 1 1 16 7  6   o 43.180  0.7903 3.112000       1.581000  
1 1 1 16 7  7   f 24.390  0.6152 ?              ?         
1 1 1 16 7  8   o 35.150  0.6559 5.253000       1.312000  
1 1 1 16 7  9   o 29.050  0.7052 ?              ?         
1 1 1 16 7  10  o 17.520  0.5340 -4.562000      1.068000  
1 1 1 16 7  11  o 19.580  0.6292 ?              ?         
1 1 1 16 7  12  o 45.650  1.2950 ?              ?         
1 1 1 16 7  13  o 25.930  0.8121 ?              ?         
1 1 1 16 7  14  o 22.280  0.7430 ?              ?         
1 1 1 16 7  15  o 27.480  0.6205 -0.6964000     1.241000  
1 1 1 16 7  18  f 26.590  0.6309 0.5971000      1.262000  
1 1 1 16 7  19  o 38.600  0.8118 -2.616000      1.624000  
1 1 1 16 7  20  o 24.840  0.6245 -0.3407000     1.249000  
1 1 1 16 7  21  o 19.520  0.6025 -1.371000      1.205000  
1 1 1 16 7  22  o 5.6410  1.9480 ?              ?         
1 1 1 16 7  23  o 25.020  0.6403 -1.506000      1.281000  
1 1 1 16 7  24  o 20.340  0.6083 -0.6443000     1.217000  
1 1 1 16 7  25  o 25.100  0.6443 -2.609000      1.289000  
1 1 1 16 7  26  o 14.620  0.5737 3.513000       1.147000  
1 1 1 16 7  27  o 16.090  0.5710 -2.149000      1.142000  
1 1 1 16 7  28  o 23.300  0.6476 0.7103000      1.295000  
1 1 1 16 7  29  o 22.670  0.6437 0.8824000      1.287000  
1 1 1 16 7  30  o 10.660  0.6905 1.025000       1.381000  
1 1 1 16 7  31  o 6.5300  1.0690 -0.1602000E-01 2.137000  
1 1 1 16 7  32  o 29.820  0.7664 0.1090000      1.533000  
1 1 1 16 7  33  o 12.780  0.7145 6.698000       1.429000  
1 1 1 16 7  34  o 22.280  0.6694 0.1647000      1.339000  
1 1 1 16 7  35  o 25.020  0.6948 -2.671000      1.390000  
1 1 1 16 7  36  o 28.310  0.7722 3.482000       1.544000  
1 1 1 16 7  37  o 18.210  0.6802 3.144000       1.360000  
1 1 1 16 7  38  o 19.690  0.6809 -0.4515000     1.362000  
1 1 1 16 7  39  o 27.840  0.7645 0.2936000      1.529000  
1 1 1 16 7  40  o 9.2680  1.0520 8.047000       2.104000  
1 1 1 16 7  41  o 18.800  0.9348 -0.6150000     1.870000  
1 1 1 16 7  42  o 8.2420  1.5840 2.828000       3.168000  
1 1 1 16 7  43  f 5.1120  1.5430 -0.2048000E-01 3.087000  
1 1 1 16 7  44  o 12.670  1.3540 1.786000       2.708000  
1 1 1 16 7  45  o 14.950  1.1890 -0.3971000     2.378000  
1 1 1 16 7  46  f 12.340  1.4030 1.826000       2.806000  
1 1 1 16 7  47  o 17.440  1.1240 3.487000       2.248000  
1 1 1 16 7  48  o 6.1540  1.7330 -0.1383000     3.466000  
1 1 1 16 7  49  o 5.2540  1.6220 -0.5858000     3.243000  
1 1 1 16 7  50  o 4.9580  1.5560 0.3503000      3.112000  
1 1 1 16 7  51  o 8.9630  1.7730 1.310000       3.546000  
1 1 1 16 7  52  o 6.6830  1.7980 1.194000       3.595000  
1 1 1 16 7  53  o 4.8470  1.5890 -1.205000      3.177000  
1 1 1 16 7  54  o 6.7750  1.8770 0.5392000      3.754000  
1 1 1 16 7  55  o 8.4020  1.9450 -3.506000      3.890000  
1 1 1 16 7  56  o 7.9110  1.8680 2.930000       3.737000  
1 1 1 16 7  57  o 13.750  1.6430 -1.714000      3.285000  
1 1 1 16 7  58  o 15.330  1.5760 3.663000       3.151000  
1 1 1 16 7  59  o 5.9600  1.8350 -0.1890000     3.669000  
1 1 1 16 7  60  o 6.0600  1.8580 -2.330000      3.716000  
1 1 1 16 7  61  o 5.3410  1.7350 -1.444000      3.470000  
1 1 1 16 7  62  o 5.1840  1.6660 1.179000       3.331000  
1 1 1 16 7  63  o 7.2220  1.8960 2.793000       3.792000  
1 1 1 16 7  64  o 5.2430  1.7110 -0.2942000     3.421000  
1 1 1 16 7  65  o 6.7120  1.9750 0.2145000      3.949000  
1 1 1 16 7  66  o 6.5750  1.9850 0.1705000      3.970000  
1 1 1 16 7  67  o 9.6170  2.0470 6.458000       4.094000  
1 1 1 16 7  68  o 6.4280  2.0710 -0.4536000     4.142000  
1 1 1 16 7  69  o 5.4610  1.8440 -0.2058000     3.689000  
1 1 1 16 7  70  o 5.4590  1.8460 -0.5217000     3.691000  
1 1 1 16 7  71  o 5.0000  1.7110 0.1871000      3.422000  
1 1 1 16 7  72  o 5.0660  1.7380 -0.8306000     3.476000  
1 1 1 16 7  73  o 5.6490  1.8580 0.9915000      3.715000  
1 1 1 16 7  74  o 4.1870  1.4690 0.3805000      2.939000  
1 1 1 16 7  75  o 3.7700  1.3230 0.6923000      2.647000  
1 1 1 16 7  76  o 4.0640  1.9800 ?              ?         
1 1 1 16 7  77  o 4.0700  1.9840 ?              ?         
1 1 1 16 8  0   o 39.120  1.1200 0.000000       0.000000  
1 1 1 16 8  1   o 31.590  0.9287 ?              ?         
1 1 1 16 8  2   o 29.910  0.5768 1.071000       1.154000  
1 1 1 16 8  3   o 34.490  0.6534 -0.3246000     1.307000  
1 1 1 16 8  4   o 20.030  0.7194 ?              ?         
1 1 1 16 8  5   o 19.660  0.4711 1.521000       0.9423000 
1 1 1 16 8  6   o 43.180  0.7140 -1.001000      1.428000  
1 1 1 16 8  7   o 34.990  0.5965 -1.083000      1.193000  
1 1 1 16 8  8   o 22.260  0.5826 4.808000       1.165000  
1 1 1 16 8  9   o 40.660  0.7641 -0.6290000     1.528000  
1 1 1 16 8  10  o 16.490  0.6376 6.558000       1.275000  
1 1 1 16 8  11  o 24.820  0.5541 -2.941000      1.108000  
1 1 1 16 8  12  o 28.800  0.5133 -0.4081000     1.027000  
1 1 1 16 8  13  o 30.160  0.5313 -0.7557000     1.063000  
1 1 1 16 8  15  o 18.270  0.4808 0.7345000      0.9615000 
1 1 1 16 8  16  o 28.430  0.7509 ?              ?         
1 1 1 16 8  17  o 35.950  0.6851 -1.032000      1.370000  
1 1 1 16 8  18  o 40.850  0.7668 -0.8264000     1.534000  
1 1 1 16 8  19  o 7.6880  1.4340 ?              ?         
1 1 1 16 8  20  o 11.070  0.5754 0.9215000      1.151000  
1 1 1 16 8  21  o 22.040  0.5172 0.9058000      1.034000  
1 1 1 16 8  22  o 11.780  0.7520 ?              ?         
1 1 1 16 8  23  o 26.560  0.5626 0.1256000E-01  1.125000  
1 1 1 16 8  24  o 19.080  0.5056 0.7290000      1.011000  
1 1 1 16 8  25  o 17.070  0.5072 -0.6682000     1.014000  
1 1 1 16 8  26  o 17.750  0.5908 -0.4934000     1.182000  
1 1 1 16 8  27  o 15.550  0.6028 2.009000       1.206000  
1 1 1 16 8  28  o 22.830  0.6469 -0.8768000     1.294000  
1 1 1 16 8  29  o 12.080  0.6741 5.482000       1.348000  
1 1 1 16 8  30  o 21.260  0.6388 -3.173000      1.278000  
1 1 1 16 8  31  o 21.960  0.6526 -1.129000      1.305000  
1 1 1 16 8  32  o 30.620  0.7957 0.5082000      1.591000  
1 1 1 16 8  33  o 12.760  0.7384 6.799000       1.477000  
1 1 1 16 8  34  o 20.630  0.6561 -1.146000      1.312000  
1 1 1 16 8  35  o 31.790  0.8835 -0.1497000     1.767000  
1 1 1 16 8  36  o 9.3850  0.9968 8.125000       1.994000  
1 1 1 16 8  37  o 29.580  0.7735 -3.487000      1.547000  
1 1 1 16 8  38  o 21.940  0.7189 4.649000       1.438000  
1 1 1 16 8  39  o 20.350  0.7015 1.957000       1.403000  
1 1 1 16 8  40  o 19.090  0.7216 -2.477000      1.443000  
1 1 1 16 8  41  o 19.750  0.7055 -0.2749000     1.411000  
1 1 1 16 8  42  o 23.990  0.7457 0.2912000      1.491000  
1 1 1 16 8  43  o 20.940  0.7457 1.826000       1.491000  
1 1 1 16 8  44  o 9.8410  1.5970 2.055000       3.193000  
1 1 1 16 8  45  o 14.290  1.2130 0.6649000      2.425000  
1 1 1 16 8  46  o 6.7280  1.6700 0.3186000      3.339000  
1 1 1 16 8  47  f 5.1030  1.5680 -0.6128000     3.136000  
1 1 1 16 8  48  o 6.8720  1.7580 0.4052000      3.516000  
1 1 1 16 8  49  o 6.9180  1.7980 0.1363000      3.596000  
1 1 1 16 8  50  o 7.0710  1.8280 1.033000       3.657000  
1 1 1 16 8  51  o 6.9600  1.8660 -1.541000      3.732000  
1 1 1 16 8  52  o 13.490  1.4410 -0.4398000     2.883000  
1 1 1 16 8  53  o 8.5460  1.9220 -2.224000      3.845000  
1 1 1 16 8  54  o 8.5190  1.9170 -3.373000      3.835000  
1 1 1 16 8  55  o 9.8630  1.9530 -0.4600000     3.907000  
1 1 1 16 8  56  o 8.3750  1.9190 2.831000       3.838000  
1 1 1 16 8  57  o 7.2750  1.8740 2.432000       3.747000  
1 1 1 16 8  58  o 4.8350  1.6210 -1.445000      3.242000  
1 1 1 16 8  59  o 10.990  1.9390 0.3601000      3.879000  
1 1 1 16 8  60  o 9.1320  2.0650 -2.107000      4.130000  
1 1 1 16 8  61  o 6.7500  1.8420 2.697000       3.685000  
1 1 1 16 8  62  o 5.9670  1.8480 -0.7211000     3.695000  
1 1 1 16 8  63  o 5.8940  1.8020 1.997000       3.604000  
1 1 1 16 8  64  o 5.1900  1.7010 -0.2809000E-03 3.401000  
1 1 1 16 8  65  o 5.4390  1.7430 1.417000       3.486000  
1 1 1 16 8  66  o 4.7880  1.6150 -0.2383000     3.230000  
1 1 1 16 8  67  o 4.5610  1.5540 0.8677000      3.107000  
1 1 1 16 8  68  o 4.6900  1.5900 0.4227000      3.180000  
1 1 1 16 8  69  o 5.9570  1.8790 -0.3531000     3.758000  
1 1 1 16 8  70  o 5.1350  1.6970 0.1444000      3.394000  
1 1 1 16 8  71  o 5.0300  1.6680 -0.3706000     3.336000  
1 1 1 16 8  72  o 6.2680  1.9730 1.090000       3.946000  
1 1 1 16 8  73  o 4.2340  1.4890 -0.4621000     2.977000  
1 1 1 16 8  74  o 3.5290  1.2530 0.8392000E-01  2.505000  
1 1 1 16 8  75  o 3.6320  1.2730 0.4159000      2.546000  
1 1 1 16 8  76  o 4.5300  2.1430 ?              ?         
1 1 1 16 9  0   o 35.110  0.8714 0.000000       0.000000  
1 1 1 16 9  1   o 39.440  0.6227 1.069000       1.245000  
1 1 1 16 9  2   o 35.210  0.6506 0.9639000      1.301000  
1 1 1 16 9  3   o 16.810  0.9113 ?              ?         
1 1 1 16 9  4   o 43.060  0.6710 0.1577000      1.342000  
1 1 1 16 9  5   f 15.900  0.6619 -0.5869000     1.324000  
1 1 1 16 9  6   o 21.920  0.6894 ?              ?         
1 1 1 16 9  7   o 38.700  0.7207 1.737000       1.441000  
1 1 1 16 9  8   o 30.580  0.6721 2.124000       1.344000  
1 1 1 16 9  9   o 15.200  0.6461 4.518000       1.292000  
1 1 1 16 9  10  o 17.880  0.4595 -1.842000      0.9191000 
1 1 1 16 9  11  f 31.550  0.5509 0.5146000      1.102000  
1 1 1 16 9  12  o 9.1150  0.9447 3.021000       1.889000  
1 1 1 16 9  13  o 7.5810  0.7140 0.4793000      1.428000  
1 1 1 16 9  14  o 7.2340  0.7727 -3.795000      1.545000  
1 1 1 16 9  15  o 38.340  0.8096 -4.875000      1.619000  
1 1 1 16 9  16  f 49.590  0.9155 0.8124000      1.831000  
1 1 1 16 9  17  o 11.760  1.1090 ?              ?         
1 1 1 16 9  18  o 17.470  0.5268 -0.8087000     1.054000  
1 1 1 16 9  19  o 33.640  0.6509 -1.609000      1.302000  
1 1 1 16 9  20  o 27.270  0.5748 -1.244000      1.150000  
1 1 1 16 9  21  o 27.950  0.5849 0.2775000      1.170000  
1 1 1 16 9  22  o 24.650  0.5570 1.034000       1.114000  
1 1 1 16 9  23  o 24.260  0.5456 1.809000       1.091000  
1 1 1 16 9  24  o 9.3780  0.7160 3.011000       1.432000  
1 1 1 16 9  25  o 14.460  0.5408 1.305000       1.082000  
1 1 1 16 9  26  o 23.950  0.5474 -0.4434000E-01 1.095000  
1 1 1 16 9  27  o 16.550  0.7072 ?              ?         
1 1 1 16 9  28  o 14.950  0.5464 -1.134000      1.093000  
1 1 1 16 9  29  o 19.560  0.5384 -1.198000      1.077000  
1 1 1 16 9  30  o 34.540  0.8420 -2.851000      1.684000  
1 1 1 16 9  31  o 30.030  0.7907 1.734000       1.581000  
1 1 1 16 9  32  o 24.190  0.6815 -1.624000      1.363000  
1 1 1 16 9  33  o 16.600  0.6660 1.511000       1.332000  
1 1 1 16 9  34  o 8.0890  1.0420 -0.1089000     2.084000  
1 1 1 16 9  35  f 12.860  0.7540 -2.276000      1.508000  
1 1 1 16 9  36  o 12.580  0.7673 -1.147000      1.535000  
1 1 1 16 9  37  f 19.480  0.6865 0.8164000      1.373000  
1 1 1 16 9  38  o 17.040  0.7046 -2.629000      1.409000  
1 1 1 16 9  39  o 7.6930  1.0810 7.144000       2.163000  
1 1 1 16 9  40  o 9.3610  1.0140 1.632000       2.029000  
1 1 1 16 9  41  o 9.0970  1.0680 -0.7359000E-01 2.136000  
1 1 1 16 9  42  o 14.790  0.7469 3.404000       1.494000  
1 1 1 16 9  43  o 6.7980  1.2680 -1.987000      2.535000  
1 1 1 16 9  44  o 11.030  0.9346 0.9287000      1.869000  
1 1 1 16 9  45  o 9.1160  1.1640 2.639000       2.328000  
1 1 1 16 9  46  o 9.8870  1.1480 0.3678000E-01  2.295000  
1 1 1 16 9  47  f 6.6010  1.3740 -0.8660000     2.748000  
1 1 1 16 9  48  o 4.9330  1.5610 -2.463000      3.122000  
1 1 1 16 9  49  o 4.9010  1.5280 0.5743000      3.057000  
1 1 1 16 9  50  o 5.5840  1.6770 -0.1745000     3.354000  
1 1 1 16 9  51  o 5.6800  1.6980 -0.3085000     3.396000  
1 1 1 16 9  52  o 8.1100  1.8830 -0.8317000     3.766000  
1 1 1 16 9  53  o 6.3020  1.7630 0.9512000      3.527000  
1 1 1 16 9  54  o 11.010  1.7220 -2.987000      3.443000  
1 1 1 16 9  55  o 13.440  1.5960 2.690000       3.192000  
1 1 1 16 9  56  o 15.150  1.5420 0.9923000      3.084000  
1 1 1 16 9  57  o 5.7240  1.7940 -0.8109000     3.589000  
1 1 1 16 9  58  o 5.0210  1.6270 0.9890000      3.254000  
1 1 1 16 9  59  o 5.9350  1.8390 0.5907000E-01  3.678000  
1 1 1 16 9  60  f 5.1270  1.6580 1.114000       3.315000  
1 1 1 16 9  61  o 7.2530  1.9490 -2.263000      3.899000  
1 1 1 16 9  62  o 6.0170  1.8340 -0.4877000     3.669000  
1 1 1 16 9  63  o 6.1340  1.8460 0.9894000      3.693000  
1 1 1 16 9  64  o 8.9330  2.0310 1.352000       4.062000  
1 1 1 16 9  65  o 5.2620  1.7100 0.1552000      3.420000  
1 1 1 16 9  66  f 5.0820  1.6740 0.1201000      3.349000  
1 1 1 16 9  67  o 5.2420  1.7230 0.4345000E-01  3.445000  
1 1 1 16 9  68  o 4.5870  1.5690 -0.6229000E-01 3.138000  
1 1 1 16 9  69  o 5.3520  1.7310 -1.728000      3.462000  
1 1 1 16 9  70  o 4.4650  1.5270 0.3547000E-01  3.053000  
1 1 1 16 9  71  o 4.6550  1.5680 -0.7932000     3.135000  
1 1 1 16 9  72  o 4.6130  1.5340 -0.1686000     3.068000  
1 1 1 16 9  73  o 4.7260  1.5290 2.054000       3.059000  
1 1 1 16 9  74  o 4.4400  1.4870 1.288000       2.974000  
1 1 1 16 9  75  o 4.5070  2.1350 ?              ?         
1 1 1 16 10 0   o 18.350  0.7293 0.000000       0.000000  
1 1 1 16 10 1   o 28.750  0.6149 -0.8782000     1.230000  
1 1 1 16 10 2   f 31.020  0.4779 -0.1061000     0.9558000 
1 1 1 16 10 3   o 31.480  0.5735 -2.744000      1.147000  
1 1 1 16 10 4   o 30.520  0.5145 0.2929000      1.029000  
1 1 1 16 10 5   o 23.400  0.5821 1.021000       1.164000  
1 1 1 16 10 6   o 45.560  0.7098 -0.2355000     1.420000  
1 1 1 16 10 7   o 19.690  0.5866 4.596000       1.173000  
1 1 1 16 10 8   o 19.860  0.4416 -3.655000      0.8832000 
1 1 1 16 10 9   o 9.1970  0.9969 0.8604000      1.994000  
1 1 1 16 10 10  o 28.690  0.4989 0.2252000      0.9978000 
1 1 1 16 10 11  o 17.460  0.6166 4.649000       1.233000  
1 1 1 16 10 12  o 53.940  0.9595 -3.135000      1.919000  
1 1 1 16 10 13  o 22.590  0.5928 3.535000       1.186000  
1 1 1 16 10 14  o 12.880  0.6902 2.886000       1.380000  
1 1 1 16 10 15  o 31.480  0.5591 0.8503000      1.118000  
1 1 1 16 10 16  o 16.810  0.5982 0.1050000      1.196000  
1 1 1 16 10 17  o 24.660  0.5470 1.505000       1.094000  
1 1 1 16 10 18  o 10.180  1.3300 ?              ?         
1 1 1 16 10 19  o 15.040  0.5341 2.289000       1.068000  
1 1 1 16 10 20  o 31.250  0.6307 -0.1632000     1.261000  
1 1 1 16 10 21  o 27.370  0.5823 -1.057000      1.165000  
1 1 1 16 10 22  o 32.890  0.6603 3.015000       1.321000  
1 1 1 16 10 23  o 12.310  0.9991 ?              ?         
1 1 1 16 10 24  o 15.380  0.5430 -0.8279000E-01 1.086000  
1 1 1 16 10 25  o 22.950  0.5466 2.178000       1.093000  
1 1 1 16 10 26  o 32.920  0.6612 -1.417000      1.322000  
1 1 1 16 10 27  o 12.930  0.7676 ?              ?         
1 1 1 16 10 28  o 16.250  0.5446 -0.8664000     1.089000  
1 1 1 16 10 29  o 6.7830  0.9979 3.299000       1.996000  
1 1 1 16 10 30  o 24.760  0.5791 -0.8735000     1.158000  
1 1 1 16 10 31  o 12.120  0.7944 ?              ?         
1 1 1 16 10 32  o 8.4070  0.8185 0.8794000      1.637000  
1 1 1 16 10 33  o 19.540  0.6571 -0.5261000     1.314000  
1 1 1 16 10 34  o 12.030  0.7744 5.754000       1.549000  
1 1 1 16 10 35  o 29.680  0.7668 -3.458000      1.534000  
1 1 1 16 10 36  o 10.850  1.0010 12.96000       2.002000  
1 1 1 16 10 37  o 7.2470  1.1730 -1.106000      2.347000  
1 1 1 16 10 38  o 8.4120  1.0690 2.072000       2.138000  
1 1 1 16 10 39  o 12.210  0.8414 0.1331000E-01  1.683000  
1 1 1 16 10 40  o 18.140  0.7307 0.5533000      1.461000  
1 1 1 16 10 41  o 6.0390  1.3690 0.9260000      2.738000  
1 1 1 16 10 42  o 4.9430  1.3200 -0.1617000     2.639000  
1 1 1 16 10 43  o 15.980  0.7652 1.062000       1.530000  
1 1 1 16 10 44  o 6.1350  1.3350 3.454000       2.670000  
1 1 1 16 10 45  o 4.2890  1.2490 -0.3571000     2.498000  
1 1 1 16 10 46  o 6.7580  1.4050 0.6028000      2.811000  
1 1 1 16 10 47  o 4.3150  1.3150 1.448000       2.629000  
1 1 1 16 10 48  o 6.9870  1.4300 -0.9742000     2.861000  
1 1 1 16 10 49  o 14.690  0.9154 -2.679000      1.831000  
1 1 1 16 10 50  o 11.670  1.0760 0.4489000      2.152000  
1 1 1 16 10 51  f 6.2150  1.4900 -0.7130000E-01 2.980000  
1 1 1 16 10 52  o 16.070  1.1950 -2.050000      2.389000  
1 1 1 16 10 53  o 7.8660  1.7130 4.033000       3.426000  
1 1 1 16 10 54  o 6.9490  1.9190 -1.430000      3.838000  
1 1 1 16 10 55  o 5.8590  1.8370 -1.663000      3.673000  
1 1 1 16 10 56  o 6.0930  1.8560 -3.932000      3.713000  
1 1 1 16 10 57  o 5.5490  1.7700 -0.5333000     3.539000  
1 1 1 16 10 58  o 7.5810  2.0170 0.5469000      4.033000  
1 1 1 16 10 59  o 6.4660  1.8810 -0.9813000E-01 3.763000  
1 1 1 16 10 60  o 4.6050  1.5420 -0.3778000     3.084000  
1 1 1 16 10 61  o 5.5530  1.7540 -0.3987000     3.508000  
1 1 1 16 10 62  o 4.7110  1.5800 -1.039000      3.161000  
1 1 1 16 10 63  f 5.6830  1.7750 0.7146000      3.551000  
1 1 1 16 10 64  o 5.7380  1.7500 1.717000       3.501000  
1 1 1 16 10 65  o 6.0460  1.7680 2.383000       3.536000  
1 1 1 16 10 66  o 4.5880  1.5420 0.9588000      3.084000  
1 1 1 16 10 67  o 5.4930  1.7550 -0.1798000     3.510000  
1 1 1 16 10 68  f 4.7640  1.5860 0.3808000      3.172000  
1 1 1 16 10 69  o 5.5150  1.7410 -0.5290000     3.482000  
1 1 1 16 10 70  o 4.1390  1.4280 0.8584000      2.855000  
1 1 1 16 10 71  o 4.0850  1.4030 1.158000       2.805000  
1 1 1 16 10 72  o 4.8920  1.5180 -1.158000      3.037000  
1 1 1 16 10 73  o 4.5740  1.5280 1.011000       3.055000  
1 1 1 16 10 74  o 3.6690  1.8230 ?              ?         
1 1 1 16 11 0   o 26.060  0.6827 0.000000       0.000000  
1 1 1 16 11 1   o 29.090  0.5103 1.692000       1.021000  
1 1 1 16 11 2   o 35.690  0.6055 0.3528000      1.211000  
1 1 1 16 11 3   o 36.650  0.5453 -1.169000      1.091000  
1 1 1 16 11 4   o 17.650  0.5929 1.727000       1.186000  
1 1 1 16 11 5   o 22.090  0.4491 -3.122000      0.8982000 
1 1 1 16 11 6   o 9.6530  0.9364 3.206000       1.873000  
1 1 1 16 11 7   o 13.420  0.5270 0.7139000      1.054000  
1 1 1 16 11 8   o 27.270  0.4880 1.233000       0.9761000 
1 1 1 16 11 9   o 20.820  0.5865 ?              ?         
1 1 1 16 11 10  o 13.620  0.6715 1.609000       1.343000  
1 1 1 16 11 11  f 24.310  0.4703 1.082000       0.9406000 
1 1 1 16 11 12  o 19.040  0.5805 4.252000       1.161000  
1 1 1 16 11 13  o 29.270  0.5157 -1.524000      1.031000  
1 1 1 16 11 14  f 13.640  0.6700 2.212000       1.340000  
1 1 1 16 11 15  o 22.940  0.4667 0.4205000      0.9334000 
1 1 1 16 11 16  o 16.760  0.4609 -1.410000      0.9218000 
1 1 1 16 11 17  o 20.670  0.4567 -0.5005000     0.9133000 
1 1 1 16 11 18  o 36.070  0.5947 3.020000       1.189000  
1 1 1 16 11 19  o 32.830  0.7403 -4.940000      1.481000  
1 1 1 16 11 20  o 32.720  0.6166 -0.7957000E-01 1.233000  
1 1 1 16 11 21  o 8.4070  1.1910 -5.183000      2.383000  
1 1 1 16 11 22  o 13.880  0.5569 0.8041000      1.114000  
1 1 1 16 11 23  o 39.080  0.8385 -3.090000      1.677000  
1 1 1 16 11 24  o 27.870  0.5971 -0.1091000E-01 1.194000  
1 1 1 16 11 25  o 19.840  0.5505 0.1290000      1.101000  
1 1 1 16 11 26  o 17.580  0.5422 -0.6596000     1.084000  
1 1 1 16 11 27  o 21.670  0.5711 -0.5450000     1.142000  
1 1 1 16 11 28  o 17.530  0.5382 -0.4171000     1.076000  
1 1 1 16 11 29  o 9.7010  0.7484 0.3245000      1.497000  
1 1 1 16 11 30  o 19.720  0.5492 0.6093000      1.098000  
1 1 1 16 11 31  o 10.020  0.7340 1.397000       1.468000  
1 1 1 16 11 32  o 12.750  0.6364 -1.455000      1.273000  
1 1 1 16 11 33  o 11.590  0.6738 -0.5821000     1.348000  
1 1 1 16 11 34  o 5.2470  1.1890 0.4292000      2.378000  
1 1 1 16 11 35  o 16.270  0.5892 -1.710000      1.178000  
1 1 1 16 11 36  o 20.800  0.5877 0.4768000      1.175000  
1 1 1 16 11 37  o 14.870  0.7678 -1.313000      1.536000  
1 1 1 16 11 38  o 10.640  0.9172 2.410000       1.834000  
1 1 1 16 11 39  o 7.3600  1.2540 1.794000       2.509000  
1 1 1 16 11 40  f 10.170  1.0790 -3.569000      2.159000  
1 1 1 16 11 41  o 18.570  0.7407 -1.775000      1.481000  
1 1 1 16 11 42  o 8.0230  1.2140 5.987000       2.429000  
1 1 1 16 11 43  f 5.4420  1.3870 0.8705000      2.774000  
1 1 1 16 11 44  o 5.2450  1.3080 -1.555000      2.615000  
1 1 1 16 11 45  o 10.980  1.0260 0.3852000      2.052000  
1 1 1 16 11 46  o 6.8160  1.3860 -0.5993000E-01 2.773000  
1 1 1 16 11 47  o 4.3530  1.3160 1.463000       2.633000  
1 1 1 16 11 48  o 6.5130  1.4080 -0.7482000     2.816000  
1 1 1 16 11 49  o 10.370  1.1890 2.293000       2.378000  
1 1 1 16 11 50  o 4.6830  1.4090 2.518000       2.818000  
1 1 1 16 11 51  o 4.3030  1.3440 0.6390000      2.687000  
1 1 1 16 11 52  o 12.490  1.1010 1.028000       2.203000  
1 1 1 16 11 53  o 4.5750  1.4160 2.059000       2.832000  
1 1 1 16 11 54  o 17.570  0.9322 -0.5554000     1.864000  
1 1 1 16 11 55  o 4.9760  1.4990 1.637000       2.998000  
1 1 1 16 11 56  o 15.390  1.5150 0.5664000      3.030000  
1 1 1 16 11 57  o 7.2460  1.8890 1.905000       3.778000  
1 1 1 16 11 58  o 5.1420  1.6560 -1.343000      3.312000  
1 1 1 16 11 59  o 5.1300  1.6220 1.058000       3.244000  
1 1 1 16 11 60  o 7.7170  1.9410 0.5655000      3.881000  
1 1 1 16 11 61  o 4.7910  1.5750 0.4967000      3.150000  
1 1 1 16 11 62  o 5.1200  1.6760 -0.1893000     3.351000  
1 1 1 16 11 63  o 4.6370  1.5890 -1.546000      3.178000  
1 1 1 16 11 64  o 4.5010  1.5390 -0.2448000     3.078000  
1 1 1 16 11 65  o 4.7960  1.5930 0.6112000      3.186000  
1 1 1 16 11 66  o 6.0010  1.8300 0.5651000      3.660000  
1 1 1 16 11 67  o 5.2140  1.6790 -1.623000      3.357000  
1 1 1 16 11 68  o 5.9240  1.7710 -2.824000      3.542000  
1 1 1 16 11 69  o 5.1490  1.6530 0.3221000      3.305000  
1 1 1 16 11 70  o 3.8360  1.3250 0.8947000      2.650000  
1 1 1 16 11 71  o 4.7340  1.5090 0.5278000      3.018000  
1 1 1 16 11 72  o 4.0320  1.3860 1.237000       2.773000  
1 1 1 16 11 73  f 3.5650  1.7780 ?              ?         
1 1 1 16 12 0   o 12.830  0.6800 -0.000000      0.000000  
1 1 1 16 12 1   o 22.690  0.4226 0.4626000      0.8451000 
1 1 1 16 12 2   o 19.240  0.4607 -1.161000      0.9214000 
1 1 1 16 12 3   o 27.780  0.4579 -0.1521000     0.9158000 
1 1 1 16 12 4   o 19.730  0.5010 1.562000       1.002000  
1 1 1 16 12 5   o 33.390  0.5128 0.3086000E-01  1.026000  
1 1 1 16 12 6   o 26.070  0.5822 2.083000       1.164000  
1 1 1 16 12 7   o 14.050  0.6330 1.257000       1.266000  
1 1 1 16 12 8   o 18.190  0.4546 0.4015000      0.9091000 
1 1 1 16 12 9   o 12.060  0.5825 -0.4336000E-01 1.165000  
1 1 1 16 12 10  o 30.000  0.6103 -1.121000      1.221000  
1 1 1 16 12 11  o 15.890  0.6945 -0.1825000     1.389000  
1 1 1 16 12 12  o 50.480  0.9021 -0.7275000     1.804000  
1 1 1 16 12 13  o 18.910  0.7227 0.4843000      1.445000  
1 1 1 16 12 14  o 22.230  0.4723 -1.764000      0.9445000 
1 1 1 16 12 15  o 23.550  0.4834 0.1224000      0.9668000 
1 1 1 16 12 16  o 27.990  0.5123 -0.1871000     1.025000  
1 1 1 16 12 17  o 13.180  0.6822 -1.103000      1.364000  
1 1 1 16 12 18  o 18.640  0.4786 3.481000       0.9572000 
1 1 1 16 12 19  o 28.100  0.5214 -1.286000      1.043000  
1 1 1 16 12 20  o 27.930  0.5763 -0.3592000     1.153000  
1 1 1 16 12 21  o 24.570  0.5502 -0.8276000     1.100000  
1 1 1 16 12 22  o 26.680  0.5600 1.303000       1.120000  
1 1 1 16 12 23  o 6.8850  1.2990 -2.920000      2.599000  
1 1 1 16 12 24  o 6.0120  1.0700 -2.681000      2.140000  
1 1 1 16 12 25  o 29.470  0.5859 1.712000       1.172000  
1 1 1 16 12 26  o 30.180  0.6114 -2.575000      1.223000  
1 1 1 16 12 27  o 16.840  0.5432 -0.9449000     1.086000  
1 1 1 16 12 28  o 30.520  0.6137 -2.223000      1.227000  
1 1 1 16 12 29  o 17.020  0.5609 0.7578000      1.122000  
1 1 1 16 12 30  o 12.740  0.8367 ?              ?         
1 1 1 16 12 31  o 17.460  0.5683 1.605000       1.137000  
1 1 1 16 12 32  o 7.5240  1.0220 0.6442000E-01  2.044000  
1 1 1 16 12 33  o 18.270  0.5679 -0.4917000     1.136000  
1 1 1 16 12 34  o 6.9660  1.4780 ?              ?         
1 1 1 16 12 35  o 3.9720  1.1460 0.6187000      2.292000  
1 1 1 16 12 36  o 8.0810  0.9614 -0.4349000     1.923000  
1 1 1 16 12 37  o 8.5790  0.9709 -1.650000      1.942000  
1 1 1 16 12 38  o 10.310  0.8069 0.4267000      1.614000  
1 1 1 16 12 39  o 5.8130  1.1910 0.4007000      2.382000  
1 1 1 16 12 40  o 10.140  1.0710 -0.3813000     2.141000  
1 1 1 16 12 41  o 8.9220  1.1660 3.515000       2.332000  
1 1 1 16 12 42  o 20.930  0.7604 -1.432000      1.521000  
1 1 1 16 12 43  o 12.060  0.9391 2.363000       1.878000  
1 1 1 16 12 44  o 12.270  1.0330 -2.327000      2.065000  
1 1 1 16 12 45  o 9.8380  1.1600 2.172000       2.320000  
1 1 1 16 12 46  o 10.630  1.1220 1.525000       2.243000  
1 1 1 16 12 47  o 6.0380  1.4580 2.680000       2.915000  
1 1 1 16 12 48  o 7.6870  1.3710 -1.894000      2.742000  
1 1 1 16 12 49  o 10.380  1.2050 -1.045000      2.411000  
1 1 1 16 12 50  o 17.210  0.8943 0.2516000      1.789000  
1 1 1 16 12 51  o 4.2910  1.3630 0.9455000      2.725000  
1 1 1 16 12 52  o 15.330  1.0210 -1.812000      2.043000  
1 1 1 16 12 53  o 5.7690  1.5580 2.355000       3.116000  
1 1 1 16 12 54  o 3.8450  1.2690 0.8028000      2.539000  
1 1 1 16 12 55  o 11.340  1.2550 -1.326000      2.509000  
1 1 1 16 12 56  o 16.100  0.9712 2.100000       1.942000  
1 1 1 16 12 57  o 4.1170  1.3420 0.8925000      2.683000  
1 1 1 16 12 58  o 10.670  1.3410 0.5755000      2.683000  
1 1 1 16 12 59  o 4.5560  1.4060 0.1293000      2.813000  
1 1 1 16 12 60  o 4.5020  1.5270 -1.061000      3.053000  
1 1 1 16 12 61  o 4.9080  1.6220 -0.3153000     3.244000  
1 1 1 16 12 62  o 5.5280  1.7640 -0.5785000     3.529000  
1 1 1 16 12 63  f 5.7950  1.8120 -0.3439000     3.624000  
1 1 1 16 12 64  o 5.3310  1.6830 0.9268000      3.366000  
1 1 1 16 12 65  o 5.0310  1.6220 0.4868000      3.244000  
1 1 1 16 12 66  o 4.4070  1.4930 -0.1789000     2.986000  
1 1 1 16 12 67  o 4.3360  1.4720 0.4126000      2.944000  
1 1 1 16 12 68  o 3.8620  1.3330 0.1592000      2.667000  
1 1 1 16 12 69  o 3.4620  1.2020 -0.4346000     2.404000  
1 1 1 16 12 70  o 3.9120  1.3240 -0.3280000E-01 2.649000  
1 1 1 16 12 71  o 4.7000  2.1950 ?              ?         
1 1 1 16 13 0   o 28.890  0.7416 0.000000       0.000000  
1 1 1 16 13 1   o 26.130  0.5386 -3.981000      1.077000  
1 1 1 16 13 2   o 22.310  0.4968 3.692000       0.9935000 
1 1 1 16 13 3   o 30.650  0.4885 0.7219000      0.9770000 
1 1 1 16 13 4   o 20.870  0.4833 2.237000       0.9667000 
1 1 1 16 13 5   o 28.010  0.4691 -0.1276000     0.9381000 
1 1 1 16 13 6   o 18.510  0.5407 4.685000       1.081000  
1 1 1 16 13 7   o 25.260  0.4530 1.162000       0.9061000 
1 1 1 16 13 8   o 24.370  0.4476 -0.5901000     0.8952000 
1 1 1 16 13 9   o 13.220  0.6628 0.3069000      1.326000  
1 1 1 16 13 10  o 18.740  0.4745 1.111000       0.9489000 
1 1 1 16 13 11  o 28.160  0.6009 -3.833000      1.202000  
1 1 1 16 13 12  o 14.260  0.7001 3.633000       1.400000  
1 1 1 16 13 13  o 11.400  0.8006 1.671000       1.601000  
1 1 1 16 13 14  o 18.390  0.4762 -0.5064000     0.9525000 
1 1 1 16 13 15  o 14.580  0.5257 0.3729000      1.051000  
1 1 1 16 13 16  o 5.8050  1.0570 -1.884000      2.114000  
1 1 1 16 13 17  o 5.6420  1.0380 1.264000       2.076000  
1 1 1 16 13 18  o 28.390  0.6074 -1.941000      1.215000  
1 1 1 16 13 19  o 20.300  0.4835 -3.177000      0.9671000 
1 1 1 16 13 20  o 18.170  0.4926 -0.2372000     0.9852000 
1 1 1 16 13 21  o 35.760  0.6032 -1.071000      1.206000  
1 1 1 16 13 22  o 14.420  0.8160 0.8742000      1.632000  
1 1 1 16 13 23  o 40.460  0.8129 -2.204000      1.626000  
1 1 1 16 13 24  f 30.020  0.7154 -7.423000      1.431000  
1 1 1 16 13 25  o 18.610  0.5494 1.122000       1.099000  
1 1 1 16 13 26  f 21.690  0.5474 -0.3759000     1.095000  
1 1 1 16 13 27  o 9.1920  0.8223 -0.3037000     1.645000  
1 1 1 16 13 28  o 4.8670  1.1410 -2.014000      2.282000  
1 1 1 16 13 29  o 7.0570  1.0560 -0.9117000E-01 2.113000  
1 1 1 16 13 30  o 4.6440  1.1870 0.1365000      2.374000  
1 1 1 16 13 31  o 4.9510  1.1840 -0.4856000     2.369000  
1 1 1 16 13 32  o 4.9600  1.1840 -1.254000      2.368000  
1 1 1 16 13 33  o 13.380  0.6624 -2.122000      1.325000  
1 1 1 16 13 34  f 5.1660  1.1790 2.093000       2.358000  
1 1 1 16 13 35  o 6.9010  1.0600 -3.807000      2.120000  
1 1 1 16 13 36  o 8.3460  0.9910 -0.1406000     1.982000  
1 1 1 16 13 37  o 6.8460  1.1490 -1.569000      2.299000  
1 1 1 16 13 38  o 6.1020  1.2100 1.421000       2.420000  
1 1 1 16 13 39  o 14.190  0.6824 -0.4471000     1.365000  
1 1 1 16 13 40  o 16.900  0.6391 0.8381000E-01  1.278000  
1 1 1 16 13 41  o 5.7460  1.2080 3.178000       2.415000  
1 1 1 16 13 42  o 9.1080  1.0190 -1.210000      2.037000  
1 1 1 16 13 43  o 7.4390  1.1460 1.019000       2.291000  
1 1 1 16 13 44  o 17.120  0.8354 1.987000       1.671000  
1 1 1 16 13 45  o 7.2270  1.4400 -0.2373000     2.881000  
1 1 1 16 13 46  o 14.200  0.9450 0.2074000E-01  1.890000  
1 1 1 16 13 47  o 7.5430  1.4440 -0.3045000     2.889000  
1 1 1 16 13 48  o 8.5000  1.3440 -3.350000      2.688000  
1 1 1 16 13 49  o 7.6800  1.4070 3.498000       2.815000  
1 1 1 16 13 50  o 5.4050  1.4730 0.2979000      2.947000  
1 1 1 16 13 51  o 7.6140  1.3760 -2.874000      2.751000  
1 1 1 16 13 52  o 8.1380  1.4520 3.014000       2.904000  
1 1 1 16 13 53  o 7.7800  1.4620 -2.034000      2.923000  
1 1 1 16 13 54  o 8.0020  1.4310 -2.869000      2.862000  
1 1 1 16 13 55  o 5.7740  1.5030 0.2025000      3.006000  
1 1 1 16 13 56  o 4.8930  1.3940 -1.391000      2.789000  
1 1 1 16 13 57  o 6.1740  1.5540 1.728000       3.108000  
1 1 1 16 13 58  o 4.7240  1.3700 -1.558000      2.741000  
1 1 1 16 13 59  o 8.0940  1.5610 2.296000       3.123000  
1 1 1 16 13 60  o 4.1490  1.3520 1.266000       2.705000  
1 1 1 16 13 61  f 3.8870  1.2980 0.9990000      2.595000  
1 1 1 16 13 62  o 3.7470  1.2340 -0.7178000     2.467000  
1 1 1 16 13 63  o 4.4740  1.4340 2.350000       2.868000  
1 1 1 16 13 64  o 6.7080  1.7450 3.845000       3.491000  
1 1 1 16 13 65  o 4.8580  1.5860 -0.8753000     3.172000  
1 1 1 16 13 66  o 5.0110  1.5810 -1.364000      3.162000  
1 1 1 16 13 67  f 4.1810  1.3990 0.2755000      2.799000  
1 1 1 16 13 68  f 3.4030  1.1910 0.5797000      2.382000  
1 1 1 16 13 69  o 5.5040  2.3890 ?              ?         
1 1 1 16 14 0   o 29.280  0.6885 0.000000       0.000000  
1 1 1 16 14 1   o 24.630  0.6442 -1.159000      1.288000  
1 1 1 16 14 2   o 42.640  0.6309 1.109000       1.262000  
1 1 1 16 14 3   o 33.880  0.5347 0.7230000      1.069000  
1 1 1 16 14 4   o 39.920  0.6008 -0.8371000     1.202000  
1 1 1 16 14 5   o 21.210  0.5894 2.355000       1.179000  
1 1 1 16 14 6   o 42.340  0.6814 -1.981000      1.363000  
1 1 1 16 14 7   o 20.670  0.5332 8.264000       1.066000  
1 1 1 16 14 8   o 28.050  0.4801 0.5986000      0.9603000 
1 1 1 16 14 9   o 21.140  0.6356 3.419000       1.271000  
1 1 1 16 14 10  o 31.860  0.5568 0.6638000      1.114000  
1 1 1 16 14 11  o 20.870  0.5794 3.432000       1.159000  
1 1 1 16 14 12  o 13.950  0.5469 -1.337000      1.094000  
1 1 1 16 14 13  o 10.030  0.7248 0.9519000      1.450000  
1 1 1 16 14 14  o 6.5350  1.0280 -0.1508000     2.057000  
1 1 1 16 14 15  f 5.8510  1.0850 -1.042000      2.169000  
1 1 1 16 14 16  o 5.3500  1.1100 -2.594000      2.220000  
1 1 1 16 14 17  o 12.030  0.6038 -0.6179000E-01 1.208000  
1 1 1 16 14 18  o 8.7300  0.7901 0.1755000      1.580000  
1 1 1 16 14 19  o 15.360  0.5368 0.5979000      1.074000  
1 1 1 16 14 20  o 12.780  0.5863 -2.545000      1.173000  
1 1 1 16 14 21  o 8.4660  0.7806 -1.620000      1.561000  
1 1 1 16 14 22  o 12.190  0.6136 2.543000       1.227000  
1 1 1 16 14 23  o 6.3890  1.0290 0.5939000      2.057000  
1 1 1 16 14 24  o 6.3940  1.1200 0.5299000E-01  2.240000  
1 1 1 16 14 25  o 4.8260  1.2070 -0.4463000     2.413000  
1 1 1 16 14 26  f 5.0360  1.2050 1.187000       2.410000  
1 1 1 16 14 27  o 16.540  0.5756 -2.659000      1.151000  
1 1 1 16 14 28  o 8.0990  0.9845 -2.081000      1.969000  
1 1 1 16 14 29  o 13.210  0.6545 0.1807000      1.309000  
1 1 1 16 14 30  o 5.7350  1.1180 -3.161000      2.235000  
1 1 1 16 14 31  o 7.3260  1.0920 -0.9873000     2.183000  
1 1 1 16 14 32  o 17.430  0.5999 1.319000       1.200000  
1 1 1 16 14 33  o 24.510  0.6096 2.237000       1.219000  
1 1 1 16 14 34  o 8.9110  1.1610 -4.641000      2.323000  
1 1 1 16 14 35  o 11.330  0.7762 -1.544000      1.552000  
1 1 1 16 14 36  o 10.660  0.8358 -1.071000      1.672000  
1 1 1 16 14 37  o 17.670  0.6308 0.1038000      1.262000  
1 1 1 16 14 38  o 7.2110  1.1670 2.075000       2.334000  
1 1 1 16 14 39  o 7.1040  1.1650 2.882000       2.330000  
1 1 1 16 14 40  o 16.860  0.6591 -1.490000      1.318000  
1 1 1 16 14 41  o 8.1460  1.1080 3.586000       2.217000  
1 1 1 16 14 42  o 14.070  0.7482 -0.2532000     1.496000  
1 1 1 16 14 43  o 15.070  0.6879 -0.3596000     1.376000  
1 1 1 16 14 44  o 13.650  0.7418 1.230000       1.484000  
1 1 1 16 14 45  o 4.5520  1.2660 0.2769000      2.532000  
1 1 1 16 14 46  o 4.7350  1.1970 -2.518000      2.394000  
1 1 1 16 14 47  o 3.7940  1.1690 -0.4515000E-01 2.338000  
1 1 1 16 14 48  o 5.8230  1.4740 1.857000       2.949000  
1 1 1 16 14 49  o 8.9360  1.3790 0.8554000      2.759000  
1 1 1 16 14 50  o 6.3290  1.4460 -0.9313000     2.892000  
1 1 1 16 14 51  o 11.750  1.0690 0.8003000      2.139000  
1 1 1 16 14 52  o 6.1560  1.5080 2.349000       3.017000  
1 1 1 16 14 53  o 5.1310  1.4230 3.103000       2.846000  
1 1 1 16 14 54  o 3.9220  1.2550 -0.3263000     2.510000  
1 1 1 16 14 55  f 9.2610  1.3750 -0.5458000     2.750000  
1 1 1 16 14 56  f 4.5500  1.4160 1.619000       2.831000  
1 1 1 16 14 57  f 5.7950  1.5210 -0.1001000     3.041000  
1 1 1 16 14 58  o 4.4540  1.3210 -1.221000      2.643000  
1 1 1 16 14 59  o 3.7560  1.2440 1.060000       2.488000  
1 1 1 16 14 60  o 3.6300  1.2100 -0.2954000     2.420000  
1 1 1 16 14 61  o 4.2270  1.3350 2.305000       2.670000  
1 1 1 16 14 62  o 3.8040  1.2610 0.7345000      2.523000  
1 1 1 16 14 63  o 4.2460  1.3310 -0.9221000     2.662000  
1 1 1 16 14 64  o 4.3650  1.4020 0.8602000      2.803000  
1 1 1 16 14 65  o 4.0290  1.3190 0.4802000      2.639000  
1 1 1 16 14 66  o 3.6030  1.2280 0.6309000      2.455000  
1 1 1 16 14 67  o 4.3030  2.0240 ?              ?         
1 1 1 16 15 0   o 25.430  0.6684 -0.000000      0.000000  
1 1 1 16 15 1   o 22.760  0.4944 -0.6396000     0.9889000 
1 1 1 16 15 2   o 27.010  0.4769 -0.3328000     0.9537000 
1 1 1 16 15 3   o 12.440  0.7090 7.027000       1.418000  
1 1 1 16 15 4   o 11.150  0.9357 -5.745000      1.871000  
1 1 1 16 15 5   o 37.340  0.6236 -1.011000      1.247000  
1 1 1 16 15 6   o 20.710  0.5394 -0.5897000     1.079000  
1 1 1 16 15 7   o 22.870  0.5089 -1.728000      1.018000  
1 1 1 16 15 8   o 32.410  0.5677 -0.6587000E-01 1.135000  
1 1 1 16 15 9   o 15.740  0.5684 2.875000       1.137000  
1 1 1 16 15 10  o 17.300  0.5249 0.3771000      1.050000  
1 1 1 16 15 11  o 29.250  0.5400 -1.814000      1.080000  
1 1 1 16 15 12  o 14.580  0.6947 1.010000       1.389000  
1 1 1 16 15 13  o 16.020  0.5403 0.6170000E-01  1.081000  
1 1 1 16 15 14  o 11.170  0.7288 1.846000       1.458000  
1 1 1 16 15 15  o 19.380  0.5168 -0.4395000     1.034000  
1 1 1 16 15 16  o 10.800  0.8887 0.8994000      1.777000  
1 1 1 16 15 17  o 19.560  0.5125 0.5207000      1.025000  
1 1 1 16 15 18  o 7.0870  1.1330 2.668000       2.266000  
1 1 1 16 15 19  o 4.9950  1.1850 -0.8510000     2.369000  
1 1 1 16 15 20  o 9.7400  0.7753 0.3530000      1.551000  
1 1 1 16 15 21  o 9.4810  0.7983 0.9704000      1.597000  
1 1 1 16 15 22  o 4.5860  1.1680 -1.248000      2.336000  
1 1 1 16 15 23  o 16.680  0.5358 1.501000       1.072000  
1 1 1 16 15 24  o 11.890  0.6278 -0.9854000     1.256000  
1 1 1 16 15 25  o 7.3390  1.0900 -3.092000      2.181000  
1 1 1 16 15 26  o 13.140  0.6969 0.9510000      1.394000  
1 1 1 16 15 27  o 19.440  0.6003 -2.375000      1.201000  
1 1 1 16 15 28  o 21.400  0.5886 1.340000       1.177000  
1 1 1 16 15 29  o 25.330  0.6131 -0.5878000E-01 1.226000  
1 1 1 16 15 30  o 11.190  0.8262 3.314000       1.652000  
1 1 1 16 15 31  o 9.4490  0.9217 0.9497000      1.843000  
1 1 1 16 15 32  o 12.670  0.7234 0.1802000      1.447000  
1 1 1 16 15 33  o 19.510  0.6079 -1.564000      1.216000  
1 1 1 16 15 34  o 18.420  0.6141 -0.5260000     1.228000  
1 1 1 16 15 35  o 6.3450  1.2620 0.1415000E-01  2.525000  
1 1 1 16 15 36  o 11.230  0.7889 -0.3179000     1.578000  
1 1 1 16 15 37  o 6.6250  1.2220 0.3258000      2.444000  
1 1 1 16 15 38  o 12.610  0.7596 -1.707000      1.519000  
1 1 1 16 15 39  o 12.560  0.7538 1.926000       1.508000  
1 1 1 16 15 40  o 10.600  0.8622 -0.3595000     1.724000  
1 1 1 16 15 41  o 7.5450  1.1600 -1.360000      2.320000  
1 1 1 16 15 42  o 6.4740  1.2640 1.551000       2.529000  
1 1 1 16 15 43  o 9.2930  0.9727 0.7545000      1.945000  
1 1 1 16 15 44  o 10.360  0.8845 -0.3148000     1.769000  
1 1 1 16 15 45  o 8.1300  1.1090 -1.304000      2.217000  
1 1 1 16 15 46  o 7.6380  1.1500 0.8390000      2.299000  
1 1 1 16 15 47  o 10.140  0.9580 -0.7632000     1.916000  
1 1 1 16 15 48  o 6.2910  1.3530 0.2106000      2.707000  
1 1 1 16 15 49  o 4.4880  1.2310 -2.053000      2.463000  
1 1 1 16 15 50  o 4.2150  1.2470 -0.9365000     2.495000  
1 1 1 16 15 51  o 11.470  0.8895 1.084000       1.779000  
1 1 1 16 15 52  o 5.2420  1.4490 1.173000       2.898000  
1 1 1 16 15 53  o 14.840  1.0640 13.20000       2.127000  
1 1 1 16 15 54  o 4.5320  1.3800 0.5238000      2.760000  
1 1 1 16 15 55  o 5.1090  1.4040 3.729000       2.808000  
1 1 1 16 15 56  o 5.4370  1.3960 -1.831000      2.792000  
1 1 1 16 15 57  o 4.3840  1.3640 0.6943000      2.728000  
1 1 1 16 15 58  f 5.2130  1.4810 1.054000       2.962000  
1 1 1 16 15 59  o 4.2290  1.3340 0.8255000E-01  2.668000  
1 1 1 16 15 60  o 4.5760  1.3990 0.1333000      2.799000  
1 1 1 16 15 61  o 8.7340  1.4770 -0.2328000     2.955000  
1 1 1 16 15 62  o 3.6340  1.2320 1.198000       2.463000  
1 1 1 16 15 63  o 3.8050  1.2630 0.4674000      2.525000  
1 1 1 16 15 64  o 4.1050  1.2870 -1.042000      2.573000  
1 1 1 16 15 65  o 4.7890  2.1660 ?              ?         
1 1 1 16 16 0   o 16.010  0.7922 -0.000000      0.000000  
1 1 1 16 16 1   o 25.340  0.4586 -0.4398000     0.9171000 
1 1 1 16 16 2   o 24.750  0.5455 -1.453000      1.091000  
1 1 1 16 16 3   o 8.0870  0.9385 0.6383000      1.877000  
1 1 1 16 16 4   o 19.270  0.5517 -5.363000      1.103000  
1 1 1 16 16 5   o 37.550  0.6265 -2.448000      1.253000  
1 1 1 16 16 6   o 16.060  0.5657 5.857000       1.131000  
1 1 1 16 16 7   o 17.010  0.4669 -2.112000      0.9338000 
1 1 1 16 16 8   o 16.250  0.4855 -0.4175000E-01 0.9710000 
1 1 1 16 16 9   o 5.6910  1.0020 3.699000       2.003000  
1 1 1 16 16 10  o 11.870  0.7009 -5.306000      1.402000  
1 1 1 16 16 11  o 31.400  0.5639 -2.045000      1.128000  
1 1 1 16 16 12  f 14.660  0.6365 5.440000       1.273000  
1 1 1 16 16 13  o 18.850  0.5229 1.082000       1.046000  
1 1 1 16 16 14  o 9.9370  0.9366 -0.2727000     1.873000  
1 1 1 16 16 15  o 5.9170  1.1750 -1.256000      2.350000  
1 1 1 16 16 16  o 7.8790  0.9643 -0.3807000     1.929000  
1 1 1 16 16 17  o 16.020  0.5638 1.260000       1.128000  
1 1 1 16 16 18  o 16.090  0.5687 1.505000       1.137000  
1 1 1 16 16 19  o 17.100  0.5502 1.116000       1.100000  
1 1 1 16 16 20  o 7.4170  1.0230 0.1316000      2.045000  
1 1 1 16 16 21  o 11.450  0.7008 0.3258000      1.402000  
1 1 1 16 16 22  o 11.010  0.7196 0.4279000      1.439000  
1 1 1 16 16 23  o 12.580  0.6377 0.6820000      1.275000  
1 1 1 16 16 24  o 13.750  0.5890 -1.028000      1.178000  
1 1 1 16 16 25  o 17.980  0.5350 -0.6771000     1.070000  
1 1 1 16 16 26  o 13.060  0.7194 1.609000       1.439000  
1 1 1 16 16 27  o 13.430  0.7103 -0.7132000     1.421000  
1 1 1 16 16 28  o 8.0120  1.0710 -0.5941000     2.142000  
1 1 1 16 16 29  o 17.100  0.6067 0.3537000      1.213000  
1 1 1 16 16 30  o 8.2230  1.0660 0.2176000      2.133000  
1 1 1 16 16 31  o 5.3870  1.2750 0.7601000      2.551000  
1 1 1 16 16 32  o 12.470  0.7614 2.395000       1.523000  
1 1 1 16 16 33  f 10.770  0.8332 -0.5136000E-01 1.666000  
1 1 1 16 16 34  o 8.2550  1.0770 -0.8383000     2.154000  
1 1 1 16 16 35  o 11.590  0.8034 -1.176000      1.607000  
1 1 1 16 16 36  o 8.8590  1.0110 0.4309000      2.023000  
1 1 1 16 16 37  o 11.990  0.7827 -0.9939000     1.565000  
1 1 1 16 16 38  o 8.3450  1.0700 0.5430000      2.140000  
1 1 1 16 16 39  o 4.7460  1.2420 -1.395000      2.483000  
1 1 1 16 16 40  o 9.6710  0.9413 0.3433000      1.883000  
1 1 1 16 16 41  o 3.4550  1.0970 -0.4635000     2.194000  
1 1 1 16 16 42  o 7.5650  1.1670 -0.8529000     2.333000  
1 1 1 16 16 43  o 8.3590  1.0880 0.6615000      2.176000  
1 1 1 16 16 44  o 3.5900  1.1460 0.3996000      2.292000  
1 1 1 16 16 45  o 10.720  0.9396 -0.7516000     1.879000  
1 1 1 16 16 46  f 11.280  0.8952 -0.5337000     1.790000  
1 1 1 16 16 47  o 12.180  0.8549 -0.9250000     1.710000  
1 1 1 16 16 48  o 3.9780  1.2270 0.4422000      2.454000  
1 1 1 16 16 49  o 14.510  0.7434 0.4183000      1.487000  
1 1 1 16 16 50  o 4.8550  1.2960 1.612000       2.592000  
1 1 1 16 16 51  o 5.3490  1.3870 0.2885000      2.773000  
1 1 1 16 16 52  o 3.8810  1.2210 0.7051000      2.442000  
1 1 1 16 16 53  o 7.5230  1.2920 2.369000       2.585000  
1 1 1 16 16 54  o 5.7120  1.4120 0.5764000      2.824000  
1 1 1 16 16 55  f 9.0060  1.1390 -0.2800000     2.278000  
1 1 1 16 16 56  o 5.6160  1.3450 -2.262000      2.690000  
1 1 1 16 16 57  o 3.7740  1.2540 0.6923000      2.507000  
1 1 1 16 16 58  o 5.0180  1.4900 1.628000       2.980000  
1 1 1 16 16 59  o 4.2860  1.3800 1.206000       2.760000  
1 1 1 16 16 60  o 3.5440  1.2070 0.7024000      2.413000  
1 1 1 16 16 61  o 3.8650  1.2660 0.5855000E-01  2.532000  
1 1 1 16 16 62  o 3.8290  1.2580 0.1618000      2.515000  
1 1 1 16 17 0   o 13.240  0.8835 0.000000       0.000000  
1 1 1 16 17 1   o 20.560  0.4965 -3.483000      0.9931000 
1 1 1 16 17 2   o 28.060  0.4827 -1.160000      0.9653000 
1 1 1 16 17 3   o 23.380  0.5033 0.9817000      1.007000  
1 1 1 16 17 4   o 15.000  0.5416 2.185000       1.083000  
1 1 1 16 17 5   o 16.600  0.4648 -0.6426000     0.9297000 
1 1 1 16 17 6   o 16.100  0.4741 -1.445000      0.9482000 
1 1 1 16 17 7   o 19.550  0.4490 0.1572000      0.8979000 
1 1 1 16 17 8   o 9.0740  0.8730 3.917000       1.746000  
1 1 1 16 17 9   o 12.040  0.5587 0.1391000      1.117000  
1 1 1 16 17 10  o 14.840  0.5001 1.270000       1.000000  
1 1 1 16 17 11  o 10.290  0.6468 0.6293000      1.294000  
1 1 1 16 17 12  o 17.140  0.5200 -0.6823000     1.040000  
1 1 1 16 17 13  o 22.700  0.4659 1.145000       0.9317000 
1 1 1 16 17 14  o 16.820  0.5440 3.507000       1.088000  
1 1 1 16 17 15  o 21.420  0.5192 0.1106000      1.038000  
1 1 1 16 17 16  o 17.650  0.5408 1.912000       1.082000  
1 1 1 16 17 17  o 8.9360  0.8987 1.317000       1.797000  
1 1 1 16 17 18  o 15.750  0.5652 1.378000       1.130000  
1 1 1 16 17 19  o 9.5180  0.7874 -2.426000      1.575000  
1 1 1 16 17 20  o 12.400  0.6451 -0.5223000     1.290000  
1 1 1 16 17 21  o 14.390  0.7074 0.5855000      1.415000  
1 1 1 16 17 22  o 11.270  0.7314 0.6686000      1.463000  
1 1 1 16 17 23  o 9.1170  0.9132 1.945000       1.826000  
1 1 1 16 17 24  o 7.0000  1.0440 -1.385000      2.087000  
1 1 1 16 17 25  o 4.3360  1.1700 -0.3388000     2.340000  
1 1 1 16 17 26  o 6.2300  1.1600 -1.180000      2.320000  
1 1 1 16 17 27  o 8.4390  0.9407 0.6091000      1.881000  
1 1 1 16 17 28  o 10.890  0.8026 0.2820000      1.605000  
1 1 1 16 17 29  o 13.690  0.6839 0.8975000      1.368000  
1 1 1 16 17 30  o 9.1640  0.9659 1.758000       1.932000  
1 1 1 16 17 31  o 19.290  0.6034 -0.4672000     1.207000  
1 1 1 16 17 32  o 6.9050  1.2230 0.9284000      2.446000  
1 1 1 16 17 33  o 13.150  0.7232 0.6149000      1.446000  
1 1 1 16 17 34  o 10.420  0.8806 0.7036000E-01  1.761000  
1 1 1 16 17 35  o 6.0720  1.2880 0.6918000      2.576000  
1 1 1 16 17 36  o 9.8270  0.9341 -0.5609000     1.868000  
1 1 1 16 17 37  o 7.0130  1.2190 -1.361000      2.437000  
1 1 1 16 17 38  o 6.5180  1.2540 0.2651000      2.508000  
1 1 1 16 17 39  o 12.640  0.7574 0.1036000      1.515000  
1 1 1 16 17 40  o 4.4390  1.2570 -0.4725000     2.515000  
1 1 1 16 17 41  o 6.0510  1.3270 -0.1472000     2.654000  
1 1 1 16 17 42  f 5.3760  1.3120 -1.255000      2.624000  
1 1 1 16 17 43  f 5.5970  1.3230 -0.1190000     2.646000  
1 1 1 16 17 44  o 5.1110  1.2710 2.732000       2.542000  
1 1 1 16 17 45  o 9.1160  1.1320 -2.052000      2.264000  
1 1 1 16 17 46  o 7.5860  1.2720 -1.532000      2.544000  
1 1 1 16 17 47  o 9.0630  1.1260 1.084000       2.252000  
1 1 1 16 17 48  o 11.190  0.9183 -0.5887000E-01 1.837000  
1 1 1 16 17 49  f 10.850  0.9327 0.6643000      1.865000  
1 1 1 16 17 50  o 5.6900  1.3260 2.146000       2.653000  
1 1 1 16 17 51  o 7.5820  1.2570 3.814000       2.513000  
1 1 1 16 17 52  o 4.6680  1.3310 -0.5458000     2.663000  
1 1 1 16 17 53  o 3.7150  1.2020 -0.3862000     2.404000  
1 1 1 16 17 54  o 5.8540  1.3670 1.915000       2.734000  
1 1 1 16 17 55  o 5.2150  1.3620 1.435000       2.723000  
1 1 1 16 17 56  f 3.7060  1.1780 -0.8861000     2.355000  
1 1 1 16 17 57  o 4.6410  1.3300 1.137000       2.659000  
1 1 1 16 17 58  o 4.2090  1.2630 0.1557000      2.526000  
1 1 1 16 17 59  o 5.1230  1.3730 0.3673000      2.745000  
1 1 1 16 17 60  o 3.9210  1.9480 ?              ?         
1 1 1 16 18 0   o 27.150  0.6763 -0.000000      0.000000  
1 1 1 16 18 1   o 12.550  0.7594 -0.1130000     1.519000  
1 1 1 16 18 2   o 12.810  0.6814 4.587000       1.363000  
1 1 1 16 18 3   o 22.130  0.4517 -0.3734000     0.9034000 
1 1 1 16 18 4   o 14.410  0.6205 4.310000       1.241000  
1 1 1 16 18 5   f 7.0770  0.9734 -1.253000      1.947000  
1 1 1 16 18 6   o 16.420  0.5215 -3.369000      1.043000  
1 1 1 16 18 7   o 28.250  0.4892 0.9173000      0.9785000 
1 1 1 16 18 8   o 23.350  0.5852 4.058000       1.170000  
1 1 1 16 18 9   o 14.200  0.6223 2.408000       1.245000  
1 1 1 16 18 10  o 9.3060  0.7927 -2.538000      1.585000  
1 1 1 16 18 11  o 20.320  0.4590 -0.1217000     0.9180000 
1 1 1 16 18 12  o 8.4720  0.9419 4.219000       1.884000  
1 1 1 16 18 13  o 11.180  0.5961 -0.6892000     1.192000  
1 1 1 16 18 14  o 11.820  0.5809 0.7903000E-01  1.162000  
1 1 1 16 18 15  o 12.250  0.6098 -0.4372000     1.220000  
1 1 1 16 18 16  o 7.3410  1.0250 1.598000       2.050000  
1 1 1 16 18 17  o 23.260  0.6036 -2.163000      1.207000  
1 1 1 16 18 18  o 15.150  0.5703 -0.6464000     1.141000  
1 1 1 16 18 19  f 17.970  0.6176 1.689000       1.235000  
1 1 1 16 18 20  o 4.3140  1.1630 1.186000       2.326000  
1 1 1 16 18 21  o 5.9920  1.0860 2.530000       2.172000  
1 1 1 16 18 22  o 5.7040  1.1750 0.5213000      2.351000  
1 1 1 16 18 23  f 8.6320  1.0420 -0.8305000E-01 2.083000  
1 1 1 16 18 24  o 4.0200  1.1190 -2.419000      2.239000  
1 1 1 16 18 25  f 13.410  0.6189 1.215000       1.238000  
1 1 1 16 18 26  o 6.7920  1.0940 -0.3892000     2.188000  
1 1 1 16 18 27  o 10.790  0.7629 1.468000       1.526000  
1 1 1 16 18 28  o 8.5300  0.9731 2.186000       1.946000  
1 1 1 16 18 29  o 8.1690  1.0930 -0.7087000     2.185000  
1 1 1 16 18 30  o 4.3050  1.2360 0.4988000      2.472000  
1 1 1 16 18 31  o 5.4350  1.1730 -3.337000      2.346000  
1 1 1 16 18 32  o 11.780  0.7822 -2.220000      1.564000  
1 1 1 16 18 33  o 9.3970  1.0040 -3.139000      2.007000  
1 1 1 16 18 34  o 6.3740  1.2770 -1.087000      2.553000  
1 1 1 16 18 35  o 17.040  0.6498 0.4969000      1.300000  
1 1 1 16 18 36  o 5.2760  1.2520 -3.115000      2.505000  
1 1 1 16 18 37  o 4.5130  1.2610 -0.7956000     2.522000  
1 1 1 16 18 38  o 3.7810  1.1740 -0.5427000     2.348000  
1 1 1 16 18 39  o 6.6630  1.2740 -0.3143000     2.548000  
1 1 1 16 18 40  o 4.4970  1.2750 0.6129000      2.550000  
1 1 1 16 18 41  o 5.4110  1.3340 -0.6644000     2.668000  
1 1 1 16 18 42  o 6.0970  1.2840 2.787000       2.567000  
1 1 1 16 18 43  o 4.2730  1.2620 -0.8298000     2.524000  
1 1 1 16 18 44  o 4.9330  1.1640 -3.771000      2.328000  
1 1 1 16 18 45  o 4.7020  1.3020 -0.3354000     2.605000  
1 1 1 16 18 46  o 3.7690  1.1890 -0.9902000E-01 2.377000  
1 1 1 16 18 47  o 11.360  0.9327 -2.055000      1.865000  
1 1 1 16 18 48  o 3.8380  1.2100 -0.2384000     2.420000  
1 1 1 16 18 49  o 4.2910  1.2840 -0.1124000     2.569000  
1 1 1 16 18 50  f 5.3030  1.3540 1.458000       2.707000  
1 1 1 16 18 51  o 3.9700  1.2130 -1.346000      2.425000  
1 1 1 16 18 52  o 9.7130  1.0720 1.954000       2.144000  
1 1 1 16 18 53  o 4.6020  1.3150 -0.3944000E-01 2.631000  
1 1 1 16 18 54  o 3.7940  1.1940 0.1611000      2.387000  
1 1 1 16 18 55  o 5.5450  1.3610 -0.9676000E-01 2.723000  
1 1 1 16 18 56  o 4.7790  1.3820 0.7338000      2.764000  
1 1 1 16 18 57  o 7.0990  2.0710 ?              ?         
1 1 1 16 19 0   o 12.120  0.8502 0.000000       0.000000  
1 1 1 16 19 1   o 17.340  0.4697 0.4138000      0.9395000 
1 1 1 16 19 2   o 13.440  0.6015 -2.022000      1.203000  
1 1 1 16 19 3   o 16.530  0.4806 -0.2886000     0.9612000 
1 1 1 16 19 4   o 12.430  0.5688 -2.730000      1.138000  
1 1 1 16 19 5   o 11.940  0.5767 -2.029000      1.153000  
1 1 1 16 19 6   o 16.550  0.5403 -1.385000      1.081000  
1 1 1 16 19 7   o 20.900  0.4664 -1.584000      0.9327000 
1 1 1 16 19 8   o 17.460  0.4766 0.1210000      0.9533000 
1 1 1 16 19 9   o 7.4990  0.9919 4.547000       1.984000  
1 1 1 16 19 10  o 10.590  0.6407 1.282000       1.281000  
1 1 1 16 19 11  o 11.160  0.6012 -0.5635000E-01 1.202000  
1 1 1 16 19 12  o 8.8320  0.8213 -0.3330000     1.643000  
1 1 1 16 19 13  o 8.8120  0.7635 0.1952000E-01  1.527000  
1 1 1 16 19 14  o 13.580  0.5318 -0.1563000     1.064000  
1 1 1 16 19 15  o 15.220  0.5484 0.5040000      1.097000  
1 1 1 16 19 16  o 8.6320  0.7694 -1.171000      1.539000  
1 1 1 16 19 17  f 6.6210  1.1070 -0.6860000     2.215000  
1 1 1 16 19 18  o 14.230  0.6982 -0.4318000     1.396000  
1 1 1 16 19 19  o 6.2570  1.1860 2.118000       2.371000  
1 1 1 16 19 20  o 6.0860  1.1630 -1.528000      2.325000  
1 1 1 16 19 21  o 5.9280  1.2000 0.1609000      2.401000  
1 1 1 16 19 22  o 9.5820  0.8404 0.7274000      1.681000  
1 1 1 16 19 23  o 6.9480  1.0700 -2.773000      2.139000  
1 1 1 16 19 24  o 6.3140  1.1310 -0.9267000     2.262000  
1 1 1 16 19 25  o 7.4680  1.0500 2.657000       2.100000  
1 1 1 16 19 26  o 17.780  0.5490 0.4686000      1.098000  
1 1 1 16 19 27  o 10.560  0.7710 -0.6359000     1.542000  
1 1 1 16 19 28  o 5.1520  1.2300 -0.3867000     2.461000  
1 1 1 16 19 29  o 6.9780  1.1000 0.7615000      2.199000  
1 1 1 16 19 30  o 3.3170  1.0760 0.7213000      2.153000  
1 1 1 16 19 31  o 11.470  0.7921 2.101000       1.584000  
1 1 1 16 19 32  o 8.2250  1.0950 -1.919000      2.190000  
1 1 1 16 19 33  o 4.3440  1.2260 1.516000       2.453000  
1 1 1 16 19 34  o 8.0840  1.1350 -0.5135000E-01 2.270000  
1 1 1 16 19 35  o 5.1100  1.3070 -0.8784000     2.615000  
1 1 1 16 19 36  o 4.7710  1.3040 0.1548000      2.608000  
1 1 1 16 19 37  o 6.1160  1.3340 0.6918000      2.669000  
1 1 1 16 19 38  o 8.1290  1.1870 -2.222000      2.375000  
1 1 1 16 19 39  o 10.750  0.9404 -0.3266000E-01 1.881000  
1 1 1 16 19 40  o 6.1770  1.3480 1.116000       2.695000  
1 1 1 16 19 41  o 10.940  0.9290 -1.251000      1.858000  
1 1 1 16 19 42  o 4.7380  1.3230 0.6410000      2.645000  
1 1 1 16 19 43  o 5.6270  1.3930 -0.4997000     2.785000  
1 1 1 16 19 44  o 4.5060  1.3080 0.7396000      2.617000  
1 1 1 16 19 45  o 4.4540  1.2960 -0.5214000     2.592000  
1 1 1 16 19 46  o 3.8780  1.1860 1.865000       2.371000  
1 1 1 16 19 47  o 3.7260  1.1800 1.098000       2.360000  
1 1 1 16 19 48  o 4.8500  1.3010 -1.992000      2.601000  
1 1 1 16 19 49  o 4.7340  1.3180 -1.213000      2.636000  
1 1 1 16 19 50  f 3.3470  1.1090 0.2314000      2.217000  
1 1 1 16 19 51  o 4.0620  1.2260 0.8832000      2.452000  
1 1 1 16 19 52  o 4.3080  1.2720 -0.2692000     2.544000  
1 1 1 16 19 53  o 8.0660  1.2640 2.061000       2.527000  
1 1 1 16 19 54  o 4.3040  1.9970 ?              ?         
1 1 1 16 19 55  f 3.7750  1.9000 ?              ?         
1 1 1 16 20 0   o 7.0910  1.4890 0.000000       0.000000  
1 1 1 16 20 1   o 5.3980  1.1140 -0.3917000     2.229000  
1 1 1 16 20 2   o 7.6670  0.8996 0.9167000      1.799000  
1 1 1 16 20 3   o 11.080  0.6251 -0.6561000     1.250000  
1 1 1 16 20 4   o 9.3380  0.7215 -1.479000      1.443000  
1 1 1 16 20 5   o 5.0360  1.0580 2.576000       2.117000  
1 1 1 16 20 6   o 4.4300  1.1010 1.129000       2.202000  
1 1 1 16 20 7   o 4.3770  1.1290 0.3983000      2.257000  
1 1 1 16 20 8   o 4.8240  1.1270 0.4084000E-01  2.254000  
1 1 1 16 20 9   o 9.4500  0.7019 -0.1280000     1.404000  
1 1 1 16 20 10  o 4.6840  1.1310 1.118000       2.263000  
1 1 1 16 20 11  o 8.7400  0.7561 -1.272000      1.512000  
1 1 1 16 20 12  o 10.820  0.6359 -0.1881000E-01 1.272000  
1 1 1 16 20 13  o 6.7780  1.0420 1.135000       2.085000  
1 1 1 16 20 14  o 11.830  0.6075 -0.3691000E-01 1.215000  
1 1 1 16 20 15  o 11.180  0.6467 1.823000       1.293000  
1 1 1 16 20 16  o 13.060  0.5686 -0.1951000     1.137000  
1 1 1 16 20 17  o 8.3190  0.8216 -1.158000      1.643000  
1 1 1 16 20 18  o 17.150  0.5290 -0.2762000     1.058000  
1 1 1 16 20 19  o 12.840  0.6300 -0.5262000     1.260000  
1 1 1 16 20 20  o 13.250  0.6214 0.7231000      1.243000  
1 1 1 16 20 21  o 7.6500  1.0930 5.807000       2.185000  
1 1 1 16 20 22  o 20.390  0.5421 0.8841000      1.084000  
1 1 1 16 20 23  o 5.2070  1.1130 2.947000       2.225000  
1 1 1 16 20 24  o 10.570  0.7527 -0.6751000E-01 1.505000  
1 1 1 16 20 25  o 7.7960  1.0200 0.2203000      2.040000  
1 1 1 16 20 26  o 4.1570  1.1710 0.2489000E-01  2.343000  
1 1 1 16 20 27  o 5.4020  1.0910 2.767000       2.182000  
1 1 1 16 20 28  o 7.4880  1.0760 2.968000       2.153000  
1 1 1 16 20 29  o 10.890  0.7572 -2.508000      1.514000  
1 1 1 16 20 30  o 6.6710  1.0910 3.876000       2.182000  
1 1 1 16 20 31  o 4.8740  1.2310 -0.9782000     2.463000  
1 1 1 16 20 32  o 4.5090  1.2150 2.385000       2.429000  
1 1 1 16 20 33  f 4.2570  1.2380 1.265000       2.477000  
1 1 1 16 20 34  o 4.1040  1.2360 0.3725000      2.471000  
1 1 1 16 20 35  o 8.5410  1.1530 2.353000       2.306000  
1 1 1 16 20 36  o 3.6530  1.1500 -1.254000      2.300000  
1 1 1 16 20 37  o 9.5680  1.0610 -1.327000      2.122000  
1 1 1 16 20 38  o 8.0570  1.2090 1.790000       2.417000  
1 1 1 16 20 39  o 7.2560  1.2490 -3.620000      2.498000  
1 1 1 16 20 40  o 9.4080  1.0930 -1.468000      2.187000  
1 1 1 16 20 41  o 4.3500  1.2900 -0.4752000     2.579000  
1 1 1 16 20 42  o 4.5460  1.2790 -1.323000      2.557000  
1 1 1 16 20 43  f 3.9330  1.2240 -0.8464000E-01 2.448000  
1 1 1 16 20 44  o 6.2900  1.4070 0.1416000      2.813000  
1 1 1 16 20 45  o 6.2640  1.4160 -0.4282000     2.831000  
1 1 1 16 20 46  o 5.1790  1.3360 -1.829000      2.671000  
1 1 1 16 20 47  o 3.3100  1.0980 0.9610000E-02  2.196000  
1 1 1 16 20 48  o 4.8850  1.2630 1.908000       2.526000  
1 1 1 16 20 49  o 4.2500  1.2210 -1.797000      2.442000  
1 1 1 16 20 50  o 3.8500  1.7020 ?              ?         
1 1 1 16 20 51  o 3.3040  1.6430 ?              ?         
1 1 1 16 21 0   o 13.880  0.9180 0.000000       0.000000  
1 1 1 16 21 1   o 24.360  0.4897 -0.8119000     0.9795000 
1 1 1 16 21 2   o 10.990  0.7907 1.181000       1.581000  
1 1 1 16 21 3   o 8.1740  0.8491 -2.191000      1.698000  
1 1 1 16 21 4   o 11.640  0.6277 -1.669000      1.255000  
1 1 1 16 21 5   o 17.070  0.5064 0.2914000      1.013000  
1 1 1 16 21 6   o 15.930  0.5908 -0.8260000     1.182000  
1 1 1 16 21 7   o 20.050  0.4816 0.4247000E-01  0.9631000 
1 1 1 16 21 8   o 7.8170  1.0000 3.994000       2.000000  
1 1 1 16 21 9   o 4.8600  1.1270 -0.8810000     2.254000  
1 1 1 16 21 10  o 5.9750  1.0770 -0.8198000     2.155000  
1 1 1 16 21 11  o 12.730  0.5770 0.3040000      1.154000  
1 1 1 16 21 12  o 15.140  0.5160 -0.1521000     1.032000  
1 1 1 16 21 13  o 7.4180  0.9056 -0.6334000     1.811000  
1 1 1 16 21 14  o 12.720  0.6248 0.6439000      1.250000  
1 1 1 16 21 15  o 15.810  0.5162 -1.040000      1.032000  
1 1 1 16 21 16  o 7.1350  1.0630 1.965000       2.127000  
1 1 1 16 21 17  o 3.9120  1.0530 -2.219000      2.106000  
1 1 1 16 21 18  o 5.7370  1.0700 -1.935000      2.141000  
1 1 1 16 21 19  o 5.2950  1.1010 -1.182000      2.203000  
1 1 1 16 21 20  o 3.9660  1.1560 0.3293000      2.311000  
1 1 1 16 21 21  o 9.2600  0.8616 0.9869000      1.723000  
1 1 1 16 21 22  o 7.4880  1.0900 1.349000       2.180000  
1 1 1 16 21 23  o 16.600  0.5885 -0.1274000     1.177000  
1 1 1 16 21 24  o 11.460  0.7699 2.314000       1.540000  
1 1 1 16 21 25  o 13.320  0.6510 0.8409000      1.302000  
1 1 1 16 21 26  o 10.300  0.8121 1.135000       1.624000  
1 1 1 16 21 27  o 10.540  0.7905 -1.361000      1.581000  
1 1 1 16 21 28  o 13.170  0.6853 1.752000       1.371000  
1 1 1 16 21 29  o 5.5540  1.2270 1.358000       2.453000  
1 1 1 16 21 30  o 5.5850  1.1940 2.144000       2.389000  
1 1 1 16 21 31  o 3.7160  1.1360 0.9309000E-01  2.272000  
1 1 1 16 21 32  o 6.1810  1.2020 0.8387000      2.405000  
1 1 1 16 21 33  o 4.9070  1.2790 -1.807000      2.558000  
1 1 1 16 21 34  f 5.6080  1.3380 -1.779000      2.675000  
1 1 1 16 21 35  o 4.1330  1.2430 0.6912000      2.486000  
1 1 1 16 21 36  o 4.6960  1.2490 -2.804000      2.498000  
1 1 1 16 21 37  o 12.460  0.8344 -0.6346000     1.669000  
1 1 1 16 21 38  o 5.4440  1.3680 -0.3998000     2.737000  
1 1 1 16 21 39  o 4.0370  1.2420 0.5091000      2.483000  
1 1 1 16 21 40  o 3.8360  1.1910 1.239000       2.382000  
1 1 1 16 21 41  o 3.6590  1.1700 0.1194000      2.341000  
1 1 1 16 21 42  o 4.2010  1.2590 -0.6062000     2.518000  
1 1 1 16 21 43  o 5.2530  1.3170 -1.428000      2.635000  
1 1 1 16 21 44  o 3.4610  1.1090 1.389000       2.218000  
1 1 1 16 21 45  o 4.1430  1.2280 -1.239000      2.455000  
1 1 1 16 21 46  f 3.6370  1.6430 ?              ?         
1 1 1 16 21 47  o 2.9570  1.4890 ?              ?         
1 1 1 16 22 0   o 3.4150  1.8800 0.000000       0.000000  
1 1 1 16 22 1   o 8.5920  0.8166 0.1796000      1.633000  
1 1 1 16 22 2   o 11.010  0.6600 0.9686000      1.320000  
1 1 1 16 22 3   o 11.790  0.6172 -0.2229000     1.234000  
1 1 1 16 22 4   o 8.0900  0.8655 -1.454000      1.731000  
1 1 1 16 22 5   o 7.2570  0.9720 -0.5430000     1.944000  
1 1 1 16 22 6   o 8.3020  0.8562 -0.6509000     1.712000  
1 1 1 16 22 7   o 8.5010  0.8362 -0.5767000     1.672000  
1 1 1 16 22 8   o 13.120  0.5755 -0.6016000     1.151000  
1 1 1 16 22 9   o 7.1730  0.9666 0.5799000      1.933000  
1 1 1 16 22 10  o 9.1200  0.7710 0.4524000      1.542000  
1 1 1 16 22 11  o 4.2220  1.1240 0.5914000      2.248000  
1 1 1 16 22 12  o 4.0380  1.1360 -0.9240000E-01 2.273000  
1 1 1 16 22 13  o 3.5180  1.0450 -1.068000      2.089000  
1 1 1 16 22 14  o 6.5810  1.0960 -1.383000      2.192000  
1 1 1 16 22 15  o 8.9950  0.7708 0.5575000      1.542000  
1 1 1 16 22 16  o 11.600  0.6885 -0.8495000     1.377000  
1 1 1 16 22 17  f 6.6610  1.0590 2.135000       2.117000  
1 1 1 16 22 18  o 11.180  0.6555 0.2253000      1.311000  
1 1 1 16 22 19  o 8.3880  0.8162 -0.2966000E-01 1.632000  
1 1 1 16 22 20  o 9.0620  0.7524 -0.8427000     1.505000  
1 1 1 16 22 21  o 5.6550  1.1780 1.082000       2.355000  
1 1 1 16 22 22  o 7.9830  1.0200 0.5273000      2.039000  
1 1 1 16 22 23  o 7.3440  1.1010 0.3781000E-01  2.202000  
1 1 1 16 22 24  o 5.2610  1.2160 0.9742000      2.433000  
1 1 1 16 22 25  o 9.9130  0.8412 1.113000       1.682000  
1 1 1 16 22 26  o 6.7840  1.1640 -1.321000      2.328000  
1 1 1 16 22 27  o 6.9410  1.1500 1.545000       2.301000  
1 1 1 16 22 28  o 4.5660  1.2320 -0.6134000     2.464000  
1 1 1 16 22 29  o 9.8840  0.8767 -0.4697000     1.753000  
1 1 1 16 22 30  o 16.500  0.6091 -0.8540000     1.218000  
1 1 1 16 22 31  o 4.6300  1.1760 -3.678000      2.352000  
1 1 1 16 22 32  o 10.380  0.8839 0.6552000      1.768000  
1 1 1 16 22 33  o 7.1760  1.1810 2.074000       2.362000  
1 1 1 16 22 34  o 7.5520  1.2750 -2.540000      2.550000  
1 1 1 16 22 35  o 5.0490  1.3100 -2.113000      2.619000  
1 1 1 16 22 36  o 7.1020  1.2640 3.798000       2.529000  
1 1 1 16 22 37  o 3.7630  1.1960 -0.2588000     2.391000  
1 1 1 16 22 38  o 4.9120  1.3170 -1.461000      2.633000  
1 1 1 16 22 39  o 5.7210  1.3690 0.8845000      2.738000  
1 1 1 16 22 40  o 4.1130  1.2430 -0.2734000     2.487000  
1 1 1 16 22 41  o 5.2090  1.3530 -2.250000      2.706000  
1 1 1 16 22 42  o 3.2860  1.6280 ?              ?         
1 1 1 16 23 0   o 4.4510  1.9800 -0.000000      0.000000  
1 1 1 16 23 1   o 7.1300  0.9668 1.274000       1.934000  
1 1 1 16 23 2   o 10.330  0.6717 0.3675000      1.343000  
1 1 1 16 23 3   o 12.470  0.5851 -0.4065000     1.170000  
1 1 1 16 23 4   o 8.9950  0.8000 -0.5620000     1.600000  
1 1 1 16 23 5   o 13.140  0.5721 -0.1280000E-01 1.144000  
1 1 1 16 23 6   o 9.3910  0.7627 -1.727000      1.525000  
1 1 1 16 23 7   o 8.7180  0.8253 -1.894000      1.651000  
1 1 1 16 23 8   o 5.9880  1.0890 -0.1830000     2.177000  
1 1 1 16 23 9   o 10.460  0.6802 0.7080000      1.360000  
1 1 1 16 23 10  o 13.350  0.5849 1.492000       1.170000  
1 1 1 16 23 11  f 11.160  0.6682 0.1731000      1.336000  
1 1 1 16 23 12  o 8.1780  0.9114 -2.627000      1.823000  
1 1 1 16 23 13  o 13.770  0.5672 -0.2363000     1.134000  
1 1 1 16 23 14  o 10.060  0.7282 0.2882000      1.456000  
1 1 1 16 23 15  o 7.0150  1.0190 -0.4709000     2.038000  
1 1 1 16 23 16  o 12.480  0.6050 1.127000       1.210000  
1 1 1 16 23 17  o 5.0890  0.9338 4.931000       1.868000  
1 1 1 16 23 18  o 4.8910  1.1620 -0.7766000     2.325000  
1 1 1 16 23 19  o 5.2300  1.1290 1.838000       2.258000  
1 1 1 16 23 20  o 12.340  0.6078 0.1969000      1.216000  
1 1 1 16 23 21  o 6.5190  1.0510 -0.3022000     2.101000  
1 1 1 16 23 22  o 4.1310  1.1780 -1.633000      2.355000  
1 1 1 16 23 23  o 4.4610  1.2140 0.2951000      2.428000  
1 1 1 16 23 24  o 4.2500  1.1800 0.6749000      2.361000  
1 1 1 16 23 25  o 9.6680  0.9167 3.464000       1.833000  
1 1 1 16 23 26  o 4.6720  1.2310 -0.1978000     2.463000  
1 1 1 16 23 27  o 9.4990  0.8671 -0.5211000     1.734000  
1 1 1 16 23 28  o 11.540  0.7398 -1.103000      1.480000  
1 1 1 16 23 29  o 3.7490  1.1400 -0.2088000     2.281000  
1 1 1 16 23 30  o 4.1530  1.1950 -1.116000      2.390000  
1 1 1 16 23 31  o 4.4910  1.2230 0.1696000      2.446000  
1 1 1 16 23 32  o 3.3520  1.0790 -0.8329000     2.159000  
1 1 1 16 23 33  f 3.7150  1.1180 0.7758000      2.235000  
1 1 1 16 23 34  o 4.2810  1.1910 0.5722000      2.382000  
1 1 1 16 23 35  o 4.5120  1.3470 0.3581000      2.695000  
1 1 1 16 23 36  o 4.6170  2.1990 ?              ?         
1 1 1 16 24 0   o 14.040  0.8045 -0.000000      0.000000  
1 1 1 16 24 1   o 13.330  0.5778 -0.6794000     1.156000  
1 1 1 16 24 2   o 5.1220  1.1340 -1.537000      2.268000  
1 1 1 16 24 3   o 4.7480  1.1090 -1.960000      2.217000  
1 1 1 16 24 4   o 6.3530  1.0790 -1.131000      2.158000  
1 1 1 16 24 5   o 4.6100  1.1640 -0.1619000     2.327000  
1 1 1 16 24 6   o 3.1240  0.9909 0.4372000      1.982000  
1 1 1 16 24 7   o 3.5870  1.0660 -0.2281000     2.132000  
1 1 1 16 24 8   o 3.0330  0.9759 -0.9522000E-02 1.952000  
1 1 1 16 24 9   o 5.2320  1.1350 -1.567000      2.270000  
1 1 1 16 24 10  o 6.3430  1.0640 -1.512000      2.128000  
1 1 1 16 24 11  o 9.6160  0.7511 1.130000       1.502000  
1 1 1 16 24 12  o 6.5770  1.0550 0.4778000      2.110000  
1 1 1 16 24 13  f 5.4140  1.0960 -2.529000      2.192000  
1 1 1 16 24 14  o 6.5760  1.0490 0.3219000      2.098000  
1 1 1 16 24 15  o 6.5120  1.0610 0.9367000E-01  2.121000  
1 1 1 16 24 16  o 8.8880  0.8328 1.725000       1.666000  
1 1 1 16 24 17  o 5.3250  1.1130 2.202000       2.227000  
1 1 1 16 24 18  o 11.560  0.6432 -1.340000      1.286000  
1 1 1 16 24 19  f 3.9400  1.1240 -0.5276000E-01 2.248000  
1 1 1 16 24 20  o 4.2610  1.1230 1.039000       2.246000  
1 1 1 16 24 21  o 6.5830  1.0420 -1.756000      2.085000  
1 1 1 16 24 22  o 4.9890  1.1600 0.3720000      2.320000  
1 1 1 16 24 23  o 8.0720  1.0720 1.491000       2.143000  
1 1 1 16 24 24  o 7.8470  1.0540 -0.3193000     2.109000  
1 1 1 16 24 25  o 8.0920  1.0100 1.298000       2.020000  
1 1 1 16 24 26  o 3.3210  1.0610 -0.6663000     2.123000  
1 1 1 16 24 27  o 4.3150  1.1780 0.1683000      2.355000  
1 1 1 16 24 28  o 3.2560  1.1410 -0.8450000     2.282000  
1 1 1 16 24 29  o 4.0480  1.8360 ?              ?         
1 1 1 16 25 0   o 3.5020  1.8930 0.000000       0.000000  
1 1 1 16 25 1   o 4.2490  1.1390 -0.3920000     2.277000  
1 1 1 16 25 2   o 3.9180  1.1200 0.6436000      2.240000  
1 1 1 16 25 3   o 3.9140  1.1170 0.6824000      2.234000  
1 1 1 16 25 4   o 4.8820  1.1430 1.614000       2.285000  
1 1 1 16 25 5   o 4.3550  1.1490 0.4297000E-01  2.298000  
1 1 1 16 25 6   o 4.3240  1.1410 -0.5632000     2.282000  
1 1 1 16 25 7   o 6.7750  1.0450 1.574000       2.090000  
1 1 1 16 25 8   o 6.7520  1.0620 -0.7109000     2.123000  
1 1 1 16 25 9   o 7.4400  0.9736 -0.9212000     1.947000  
1 1 1 16 25 10  o 11.440  0.6510 -0.5542000     1.302000  
1 1 1 16 25 11  o 8.3150  0.8903 -0.7998000     1.781000  
1 1 1 16 25 12  o 6.7600  1.0570 -1.696000      2.114000  
1 1 1 16 25 13  o 5.5030  1.1650 0.9265000      2.329000  
1 1 1 16 25 14  f 4.0600  1.1370 -0.3040000     2.273000  
1 1 1 16 25 15  o 4.2640  1.1410 -0.9499000     2.283000  
1 1 1 16 25 16  o 5.5310  1.2410 0.4176000      2.481000  
1 1 1 16 25 17  o 7.2110  1.2690 0.9416000      2.538000  
1 1 1 16 25 18  o 5.5870  1.5950 ?              ?         
1 1 1 16 25 19  o 4.3850  1.9200 ?              ?         
1 1 1 16 25 20  f 3.8550  1.9040 ?              ?         
1 1 1 17 0  1   o 32.160  0.9126 -0.000000      0.000000  
1 1 1 17 0  2   o 29.640  0.8529 -0.000000      0.000000  
1 1 1 17 0  4   o 36.030  1.0170 0.000000       0.000000  
1 1 1 17 0  5   o 22.050  0.9223 0.000000       0.000000  
1 1 1 17 0  6   o 16.620  0.7549 0.000000       0.000000  
1 1 1 17 0  7   o 14.080  0.7035 -0.000000      0.000000  
1 1 1 17 0  8   o 13.150  0.6864 0.000000       0.000000  
1 1 1 17 0  9   o 20.390  0.8701 0.000000       0.000000  
1 1 1 17 0  10  o 16.310  0.7886 0.000000       0.000000  
1 1 1 17 0  11  o 33.390  1.3520 0.000000       0.000000  
1 1 1 17 0  12  o 20.450  0.9019 0.000000       0.000000  
1 1 1 17 0  13  o 34.300  1.3890 0.000000       0.000000  
1 1 1 17 0  14  f 11.440  0.9072 0.000000       0.000000  
1 1 1 17 0  15  o 2.3090  1.4940 0.000000       0.000000  
1 1 1 17 0  16  o 22.610  1.0050 0.000000       0.000000  
1 1 1 17 0  17  o 5.5690  1.9100 0.000000       0.000000  
1 1 1 17 0  18  o 32.000  1.3340 0.000000       0.000000  
1 1 1 17 0  19  o 27.000  1.1660 0.000000       0.000000  
1 1 1 17 0  24  o 6.5080  0.8360 0.000000       0.000000  
1 1 1 17 0  25  o 29.070  1.1810 0.000000       0.000000  
1 1 1 17 0  26  f 15.940  0.7461 0.000000       0.000000  
1 1 1 17 0  27  o 13.090  0.6961 0.000000       0.000000  
1 1 1 17 0  28  o 3.3490  1.5870 0.000000       0.000000  
1 1 1 17 0  29  o 12.450  0.7712 0.000000       0.000000  
1 1 1 17 0  30  o 20.060  0.9036 0.000000       0.000000  
1 1 1 17 0  31  o 9.8430  0.9904 0.000000       0.000000  
1 1 1 17 0  32  o 50.740  2.0450 0.000000       0.000000  
1 1 1 17 0  33  o 30.750  1.2730 0.000000       0.000000  
1 1 1 17 0  34  o 3.8040  1.9850 0.000000       0.000000  
1 1 1 17 0  35  o 30.360  1.2730 0.000000       0.000000  
1 1 1 17 0  36  f 15.110  0.9938 0.000000       0.000000  
1 1 1 17 0  37  o 14.240  1.0510 0.000000       0.000000  
1 1 1 17 0  38  f 3.6090  2.0700 0.000000       0.000000  
1 1 1 17 0  39  o 2.9970  1.9200 0.000000       0.000000  
1 1 1 17 0  40  o 9.3500  1.6490 0.000000       0.000000  
1 1 1 17 0  41  o 4.0110  2.2800 0.000000       0.000000  
1 1 1 17 0  42  o 6.7590  2.5190 0.000000       0.000000  
1 1 1 17 0  43  o 2.8420  1.9210 0.000000       0.000000  
1 1 1 17 0  44  o 4.0140  2.3870 0.000000       0.000000  
1 1 1 17 0  45  o 10.010  2.0760 0.000000       0.000000  
1 1 1 17 0  46  o 4.9180  2.6470 0.000000       0.000000  
1 1 1 17 0  47  o 3.5370  2.2690 0.000000       0.000000  
1 1 1 17 0  48  o 9.7900  2.3580 0.000000       0.000000  
1 1 1 17 0  49  o 3.1270  2.1230 0.000000       0.000000  
1 1 1 17 0  50  f 24.980  1.4470 0.000000       0.000000  
1 1 1 17 0  51  o 5.2590  2.9650 0.000000       0.000000  
1 1 1 17 0  52  o 2.7770  1.9690 0.000000       0.000000  
1 1 1 17 0  54  f 3.0010  2.0970 0.000000       0.000000  
1 1 1 17 0  55  o 3.5340  2.4100 0.000000       0.000000  
1 1 1 17 0  56  o 17.380  1.8730 0.000000       0.000000  
1 1 1 17 0  57  f 5.5980  3.1680 0.000000       0.000000  
1 1 1 17 0  58  o 19.500  1.8090 0.000000       0.000000  
1 1 1 17 0  59  o 6.0070  3.3690 0.000000       0.000000  
1 1 1 17 0  60  o 4.9110  3.0830 0.000000       0.000000  
1 1 1 17 0  61  o 9.7450  3.7600 0.000000       0.000000  
1 1 1 17 0  62  o 4.1740  2.7960 0.000000       0.000000  
1 1 1 17 0  63  o 2.9800  2.1410 0.000000       0.000000  
1 1 1 17 0  64  o 3.6150  2.4930 0.000000       0.000000  
1 1 1 17 0  65  o 2.8070  2.0350 0.000000       0.000000  
1 1 1 17 0  66  o 4.2840  2.8410 0.000000       0.000000  
1 1 1 17 0  67  o 3.8470  2.6400 0.000000       0.000000  
1 1 1 17 0  68  o 5.1130  3.1950 0.000000       0.000000  
1 1 1 17 0  69  o 4.4620  2.9760 0.000000       0.000000  
1 1 1 17 0  70  o 3.7710  2.6290 0.000000       0.000000  
1 1 1 17 0  71  f 3.3220  2.3650 0.000000       0.000000  
1 1 1 17 0  72  o 3.8990  2.6820 0.000000       0.000000  
1 1 1 17 0  73  o 3.2270  2.2990 0.000000       0.000000  
1 1 1 17 0  74  f 4.3390  2.8480 0.000000       0.000000  
1 1 1 17 0  75  o 3.2470  2.2690 0.000000       0.000000  
1 1 1 17 0  76  o 3.0550  2.1670 0.000000       0.000000  
1 1 1 17 1  0   o 6.0850  0.8218 0.000000       0.000000  
1 1 1 17 1  1   f 6.7920  0.7229 ?              ?         
1 1 1 17 1  2   f 26.640  0.7719 ?              ?         
1 1 1 17 1  3   o 29.780  0.7486 -2.316000      1.497000  
1 1 1 17 1  4   o 32.920  0.8040 1.710000       1.608000  
1 1 1 17 1  5   o 26.600  1.0840 ?              ?         
1 1 1 17 1  6   o 25.530  0.6393 1.193000       1.279000  
1 1 1 17 1  7   o 34.870  0.9875 -1.370000      1.975000  
1 1 1 17 1  8   o 18.960  0.5777 -0.3330000     1.155000  
1 1 1 17 1  9   o 44.290  1.2650 2.278000       2.529000  
1 1 1 17 1  10  o 38.410  1.1050 -5.908000      2.209000  
1 1 1 17 1  11  o 32.780  1.3290 ?              ?         
1 1 1 17 1  12  o 40.020  1.6090 ?              ?         
1 1 1 17 1  13  o 32.770  1.3340 ?              ?         
1 1 1 17 1  14  o 14.040  0.8564 ?              ?         
1 1 1 17 1  15  o 26.220  1.1130 ?              ?         
1 1 1 17 1  16  o 16.610  0.9117 ?              ?         
1 1 1 17 1  18  o 21.400  1.0170 ?              ?         
1 1 1 17 1  19  o 14.990  0.6376 1.418000       1.275000  
1 1 1 17 1  20  o 40.430  1.1620 1.005000       2.324000  
1 1 1 17 1  21  o 19.450  0.6783 -1.538000      1.357000  
1 1 1 17 1  22  o 26.850  0.8132 -0.2255000     1.626000  
1 1 1 17 1  23  o 12.630  0.7488 0.3817000      1.498000  
1 1 1 17 1  24  o 22.220  0.7516 2.349000       1.503000  
1 1 1 17 1  25  f 17.900  0.6971 -2.358000      1.394000  
1 1 1 17 1  26  o 6.9510  1.1470 2.965000       2.295000  
1 1 1 17 1  27  o 29.960  0.9176 0.6610000      1.835000  
1 1 1 17 1  28  o 12.730  0.5114 1.954000       1.023000  
1 1 1 17 1  29  o 25.320  0.7530 -1.673000      1.506000  
1 1 1 17 1  30  o 18.010  0.6038 -0.2104000     1.208000  
1 1 1 17 1  31  o 10.850  0.6502 0.1281000      1.300000  
1 1 1 17 1  32  o 37.740  1.0900 0.5257000      2.181000  
1 1 1 17 1  33  o 18.570  0.6627 0.1805000      1.325000  
1 1 1 17 1  34  o 25.160  0.7766 -1.128000      1.553000  
1 1 1 17 1  35  o 13.700  0.6955 1.954000       1.391000  
1 1 1 17 1  36  o 11.950  0.7735 1.724000       1.547000  
1 1 1 17 1  37  o 14.320  0.7399 0.4503000      1.480000  
1 1 1 17 1  38  o 4.8510  1.2580 1.870000       2.515000  
1 1 1 17 1  39  o 12.070  0.8708 -0.7794000     1.742000  
1 1 1 17 1  40  o 9.9640  1.0950 1.847000       2.191000  
1 1 1 17 1  41  o 6.4810  1.3720 2.999000       2.745000  
1 1 1 17 1  42  o 9.6840  1.2760 3.839000       2.553000  
1 1 1 17 1  43  o 7.8110  1.4560 -3.367000      2.911000  
1 1 1 17 1  44  o 7.2280  1.4860 2.762000       2.973000  
1 1 1 17 1  45  o 8.6810  1.5080 -0.3569000     3.016000  
1 1 1 17 1  46  o 9.0510  1.4700 -1.424000      2.941000  
1 1 1 17 1  47  o 4.6670  1.4350 0.6778000      2.870000  
1 1 1 17 1  48  o 18.550  1.3780 ?              ?         
1 1 1 17 1  49  o 7.1790  1.7450 0.2413000      3.490000  
1 1 1 17 1  50  o 17.750  1.0780 -0.8591000     2.156000  
1 1 1 17 1  51  o 7.2960  1.7550 2.045000       3.511000  
1 1 1 17 1  52  o 8.3170  1.8780 -1.017000      3.755000  
1 1 1 17 1  53  o 6.2270  1.7860 -0.5835000     3.571000  
1 1 1 17 1  54  o 7.0550  1.8800 -0.3392000     3.761000  
1 1 1 17 1  55  o 5.0880  1.6300 0.6217000      3.260000  
1 1 1 17 1  56  o 10.750  1.8250 2.465000       3.650000  
1 1 1 17 1  57  o 6.9960  1.8910 1.664000       3.782000  
1 1 1 17 1  58  o 6.0180  2.6640 ?              ?         
1 1 1 17 1  59  o 4.8860  1.6360 -0.8723000     3.272000  
1 1 1 17 1  60  o 13.590  1.8500 3.886000       3.700000  
1 1 1 17 1  61  o 5.2830  1.7160 1.489000       3.432000  
1 1 1 17 1  62  o 9.1520  2.1370 -2.880000      4.275000  
1 1 1 17 1  63  o 6.4630  1.9500 -1.273000      3.899000  
1 1 1 17 1  64  o 7.0980  2.0360 0.1097000      4.072000  
1 1 1 17 1  65  o 7.1150  2.0080 1.946000       4.016000  
1 1 1 17 1  66  o 5.8550  1.8540 0.6828000      3.707000  
1 1 1 17 1  67  o 5.5010  1.7920 -1.762000      3.585000  
1 1 1 17 1  68  o 5.2900  1.7740 0.3967000      3.549000  
1 1 1 17 1  69  o 6.4120  1.9720 1.989000       3.943000  
1 1 1 17 1  70  o 5.4590  1.8090 0.5597000E-01  3.618000  
1 1 1 17 1  71  o 5.0070  1.7030 1.146000       3.407000  
1 1 1 17 1  72  o 4.7520  1.6320 0.5040000      3.263000  
1 1 1 17 1  73  o 4.6190  1.6020 0.9225000      3.203000  
1 1 1 17 1  74  o 4.6600  1.5730 -0.8538000     3.145000  
1 1 1 17 1  75  o 4.3150  1.4650 0.8650000      2.930000  
1 1 1 17 1  76  o 3.7930  1.3270 -0.4474000     2.654000  
1 1 1 17 2  1   o 28.860  0.6853 0.2855000      1.371000  
1 1 1 17 2  2   f 22.330  0.5686 -1.027000      1.137000  
1 1 1 17 2  3   o 30.600  0.7223 -0.2549000     1.445000  
1 1 1 17 2  4   o 21.240  0.5428 -1.004000      1.086000  
1 1 1 17 2  5   o 39.190  0.8933 2.294000       1.787000  
1 1 1 17 2  6   o 32.110  0.8312 -6.611000      1.662000  
1 1 1 17 2  7   o 18.210  0.5402 -4.084000      1.080000  
1 1 1 17 2  8   o 21.300  0.6719 4.154000       1.344000  
1 1 1 17 2  9   o 25.950  0.7740 -1.617000      1.548000  
1 1 1 17 2  10  o 47.020  1.8820 ?              ?         
1 1 1 17 2  11  o 31.590  1.2820 ?              ?         
1 1 1 17 2  12  o 43.890  1.7640 ?              ?         
1 1 1 17 2  13  o 37.160  1.5020 ?              ?         
1 1 1 17 2  14  o 27.330  1.1550 ?              ?         
1 1 1 17 2  15  o 29.940  1.2490 ?              ?         
1 1 1 17 2  16  o 37.330  1.5210 ?              ?         
1 1 1 17 2  17  o 11.230  0.6780 -5.614000      1.356000  
1 1 1 17 2  18  o 23.100  0.7280 2.852000       1.456000  
1 1 1 17 2  19  o 15.720  0.6422 0.7091000      1.284000  
1 1 1 17 2  20  o 21.540  0.9244 ?              ?         
1 1 1 17 2  21  o 25.910  0.7950 -1.244000      1.590000  
1 1 1 17 2  22  o 43.720  1.2630 -0.3730000     2.527000  
1 1 1 17 2  23  o 32.280  0.9528 -2.810000      1.906000  
1 1 1 17 2  24  o 20.770  0.7526 2.343000       1.505000  
1 1 1 17 2  25  o 23.990  0.7884 -0.5992000     1.577000  
1 1 1 17 2  26  o 10.040  1.0890 1.605000       2.178000  
1 1 1 17 2  27  o 36.790  1.0900 -1.579000      2.180000  
1 1 1 17 2  28  o 14.470  0.9964 6.089000       1.993000  
1 1 1 17 2  29  o 27.300  0.8833 -0.4951000     1.767000  
1 1 1 17 2  30  o 19.300  0.9184 ?              ?         
1 1 1 17 2  31  o 16.340  0.9041 ?              ?         
1 1 1 17 2  32  o 17.220  0.9298 ?              ?         
1 1 1 17 2  33  o 14.600  0.6112 -0.8956000E-01 1.222000  
1 1 1 17 2  34  o 15.140  0.6339 -0.5830000     1.268000  
1 1 1 17 2  35  o 20.870  0.6581 0.4439000      1.316000  
1 1 1 17 2  36  o 13.900  0.7190 0.4896000      1.438000  
1 1 1 17 2  37  o 5.8780  1.2670 -2.710000      2.533000  
1 1 1 17 2  38  o 4.3760  1.2700 -0.5501000     2.540000  
1 1 1 17 2  39  o 5.9170  1.3310 2.040000       2.662000  
1 1 1 17 2  40  o 13.260  0.9696 4.594000       1.939000  
1 1 1 17 2  41  o 16.050  0.8463 0.4560000      1.693000  
1 1 1 17 2  42  o 5.4020  1.4520 0.7598000      2.903000  
1 1 1 17 2  43  f 17.580  0.9068 1.793000       1.814000  
1 1 1 17 2  44  o 10.900  1.6010 ?              ?         
1 1 1 17 2  45  o 5.9720  1.4920 2.164000       2.983000  
1 1 1 17 2  46  o 4.6120  1.4570 -0.9007000     2.915000  
1 1 1 17 2  47  o 9.0130  1.6100 1.264000       3.221000  
1 1 1 17 2  48  o 8.6590  1.7170 1.506000       3.434000  
1 1 1 17 2  49  o 21.040  1.0500 -0.8327000     2.101000  
1 1 1 17 2  50  o 15.120  1.3590 2.504000       2.717000  
1 1 1 17 2  51  o 12.630  1.5220 0.1026000E-01  3.044000  
1 1 1 17 2  52  o 20.670  1.0960 1.011000       2.193000  
1 1 1 17 2  53  o 5.9430  1.7030 1.941000       3.406000  
1 1 1 17 2  54  o 14.200  1.4270 -0.2725000     2.854000  
1 1 1 17 2  55  o 11.200  1.7370 2.751000       3.474000  
1 1 1 17 2  56  o 5.9430  1.7780 -0.1588000     3.556000  
1 1 1 17 2  57  o 6.6070  1.9030 -0.8567000     3.806000  
1 1 1 17 2  58  o 7.1910  1.9600 -3.840000      3.920000  
1 1 1 17 2  59  o 8.9090  2.0980 0.8046000      4.196000  
1 1 1 17 2  60  o 5.8040  1.8460 -1.342000      3.693000  
1 1 1 17 2  61  o 8.4340  2.1090 -3.085000      4.218000  
1 1 1 17 2  62  o 6.0880  1.8910 -0.8069000     3.783000  
1 1 1 17 2  63  o 14.330  2.5520 ?              ?         
1 1 1 17 2  64  o 5.8170  1.8460 -0.1225000     3.693000  
1 1 1 17 2  65  o 9.5440  2.1630 -2.014000      4.327000  
1 1 1 17 2  66  o 6.0130  1.8780 -1.369000      3.755000  
1 1 1 17 2  67  o 5.2460  1.7580 -0.1250000     3.515000  
1 1 1 17 2  68  o 6.1050  1.9240 0.2988000      3.848000  
1 1 1 17 2  69  o 5.7490  1.8580 1.034000       3.717000  
1 1 1 17 2  70  o 4.6280  1.5990 0.2493000E-01  3.197000  
1 1 1 17 2  71  o 4.9110  1.6630 -0.1662000E-01 3.326000  
1 1 1 17 2  72  o 4.5540  1.5780 -0.6248000     3.157000  
1 1 1 17 2  73  f 4.4590  1.5340 -1.058000      3.068000  
1 1 1 17 2  74  o 4.2010  1.4470 -0.1964000E-01 2.894000  
1 1 1 17 2  75  o 4.3630  1.4650 1.032000       2.930000  
1 1 1 17 3  0   f 6.6130  1.1800 -0.000000      0.000000  
1 1 1 17 3  1   o 11.300  0.7565 ?              ?         
1 1 1 17 3  2   o 19.230  0.5105 1.105000       1.021000  
1 1 1 17 3  3   o 19.210  0.4814 0.6678000      0.9627000 
1 1 1 17 3  4   f 17.910  0.4327 -0.2031000     0.8653000 
1 1 1 17 3  5   o 12.780  0.5039 ?              ?         
1 1 1 17 3  6   o 21.270  0.6219 3.336000       1.244000  
1 1 1 17 3  7   o 25.740  0.7106 1.941000       1.421000  
1 1 1 17 3  8   o 22.670  0.6474 -1.508000      1.295000  
1 1 1 17 3  9   o 19.740  0.6140 -1.081000      1.228000  
1 1 1 17 3  10  o 20.210  0.6216 -2.909000      1.243000  
1 1 1 17 3  11  o 18.650  0.6210 0.4199000      1.242000  
1 1 1 17 3  12  o 30.020  0.7920 -1.111000      1.584000  
1 1 1 17 3  13  o 49.600  1.4350 ?              ?         
1 1 1 17 3  14  o 25.000  1.0640 ?              ?         
1 1 1 17 3  15  o 42.640  1.2230 4.795000       2.446000  
1 1 1 17 3  16  o 20.150  0.6749 -7.180000      1.350000  
1 1 1 17 3  17  o 4.4060  1.0910 0.4565000      2.183000  
1 1 1 17 3  18  o 26.110  0.7894 -0.3945000     1.579000  
1 1 1 17 3  19  o 15.390  0.6335 -4.265000      1.267000  
1 1 1 17 3  20  o 22.810  0.7337 -0.1648000E-01 1.467000  
1 1 1 17 3  21  o 18.720  0.6837 0.4319000      1.367000  
1 1 1 17 3  22  o 21.920  0.7195 -3.225000      1.439000  
1 1 1 17 3  23  o 23.680  0.7973 5.289000       1.595000  
1 1 1 17 3  24  o 31.840  0.9440 -2.858000      1.888000  
1 1 1 17 3  25  o 18.710  0.7718 6.276000       1.544000  
1 1 1 17 3  26  f 6.3030  1.1940 1.517000       2.389000  
1 1 1 17 3  27  o 13.580  0.8538 0.8037000      1.708000  
1 1 1 17 3  28  o 15.190  0.8240 -0.6275000     1.648000  
1 1 1 17 3  29  f 9.5070  1.2530 5.497000       2.505000  
1 1 1 17 3  30  o 28.960  0.9206 -1.018000      1.841000  
1 1 1 17 3  31  f 11.010  1.2860 8.318000       2.572000  
1 1 1 17 3  32  o 14.090  0.9584 ?              ?         
1 1 1 17 3  33  o 29.360  0.7796 -1.016000      1.559000  
1 1 1 17 3  34  o 31.400  0.8296 1.065000       1.659000  
1 1 1 17 3  35  o 25.610  0.7679 6.586000       1.536000  
1 1 1 17 3  36  o 20.870  0.6807 0.4970000      1.361000  
1 1 1 17 3  37  o 13.050  0.7615 1.979000       1.523000  
1 1 1 17 3  38  o 13.250  0.8103 2.532000       1.621000  
1 1 1 17 3  39  o 30.690  0.8402 -1.986000      1.680000  
1 1 1 17 3  40  o 21.930  0.7747 4.518000       1.549000  
1 1 1 17 3  41  o 14.340  0.8429 -1.234000      1.686000  
1 1 1 17 3  42  o 7.9170  1.3920 2.305000       2.783000  
1 1 1 17 3  43  o 11.620  1.2890 0.5152000      2.578000  
1 1 1 17 3  44  o 16.850  1.0270 2.582000       2.055000  
1 1 1 17 3  45  o 10.470  1.4580 2.298000       2.916000  
1 1 1 17 3  46  o 9.2550  1.5980 2.830000       3.195000  
1 1 1 17 3  47  o 8.9090  1.5900 3.849000       3.179000  
1 1 1 17 3  48  o 9.1690  1.6970 0.8340000      3.394000  
1 1 1 17 3  49  o 4.6680  1.5100 -0.8933000     3.021000  
1 1 1 17 3  50  o 5.6540  1.6770 0.2883000      3.354000  
1 1 1 17 3  51  o 19.150  1.1600 3.579000       2.320000  
1 1 1 17 3  52  o 6.0240  1.7440 -0.3614000E-01 3.487000  
1 1 1 17 3  53  o 16.720  1.1940 -1.423000      2.388000  
1 1 1 17 3  54  o 7.0610  1.7360 2.951000       3.473000  
1 1 1 17 3  55  o 5.9920  1.6420 2.914000       3.284000  
1 1 1 17 3  56  f 11.740  1.7570 3.119000       3.514000  
1 1 1 17 3  57  o 6.2480  1.8870 -1.453000      3.773000  
1 1 1 17 3  58  o 5.7100  1.8030 0.7264000      3.606000  
1 1 1 17 3  59  o 8.5610  2.1420 -0.5827000     4.283000  
1 1 1 17 3  60  o 5.0410  1.7040 -1.250000      3.408000  
1 1 1 17 3  61  o 7.4510  2.0200 2.510000       4.039000  
1 1 1 17 3  62  o 5.4920  1.7710 0.8868000      3.541000  
1 1 1 17 3  63  o 8.3130  1.9920 3.652000       3.984000  
1 1 1 17 3  64  o 5.6320  1.8160 -0.7275000     3.632000  
1 1 1 17 3  65  o 6.0430  1.8660 -0.1289000     3.732000  
1 1 1 17 3  66  o 5.9910  1.9050 -1.197000      3.810000  
1 1 1 17 3  67  o 5.3820  1.7990 -1.610000      3.598000  
1 1 1 17 3  68  o 6.0770  1.9320 -1.468000      3.863000  
1 1 1 17 3  69  o 5.8120  2.7190 ?              ?         
1 1 1 17 3  70  o 5.5540  1.7850 -1.408000      3.569000  
1 1 1 17 3  71  o 5.2900  1.7230 0.5822000      3.446000  
1 1 1 17 3  72  o 5.1990  1.7130 -1.806000      3.426000  
1 1 1 17 3  73  f 4.4660  1.5160 -0.4244000     3.032000  
1 1 1 17 3  74  o 3.4120  1.2030 0.1467000      2.406000  
1 1 1 17 3  75  o 3.7290  1.2780 0.6312000E-01  2.556000  
1 1 1 17 4  1   o 37.740  0.9319 -0.6927000     1.864000  
1 1 1 17 4  2   o 9.8950  0.7874 ?              ?         
1 1 1 17 4  3   o 11.890  0.5252 -0.1868000     1.050000  
1 1 1 17 4  4   o 17.940  0.4803 2.646000       0.9605000 
1 1 1 17 4  5   o 30.310  0.5818 1.194000       1.164000  
1 1 1 17 4  6   o 19.330  0.6015 -2.626000      1.203000  
1 1 1 17 4  7   o 19.980  0.6138 -0.6520000     1.228000  
1 1 1 17 4  8   o 37.640  0.9621 3.608000       1.924000  
1 1 1 17 4  9   o 45.940  1.8690 ?              ?         
1 1 1 17 4  10  o 22.800  1.0540 ?              ?         
1 1 1 17 4  11  o 31.940  1.3330 ?              ?         
1 1 1 17 4  12  o 33.690  0.7188 2.571000       1.438000  
1 1 1 17 4  13  o 16.020  0.6446 ?              ?         
1 1 1 17 4  14  f 21.960  0.5643 3.516000       1.129000  
1 1 1 17 4  15  o 44.950  1.1210 0.4901000      2.241000  
1 1 1 17 4  16  o 22.410  0.9822 ?              ?         
1 1 1 17 4  17  o 39.760  1.0040 0.3952000      2.008000  
1 1 1 17 4  18  o 18.240  0.6254 -1.031000      1.251000  
1 1 1 17 4  19  o 9.9850  0.7804 1.493000       1.561000  
1 1 1 17 4  20  o 28.780  0.7650 -2.593000      1.530000  
1 1 1 17 4  21  o 19.280  0.6394 -1.336000      1.279000  
1 1 1 17 4  22  o 10.350  0.7756 -1.636000      1.551000  
1 1 1 17 4  23  o 40.310  1.0150 -3.150000      2.030000  
1 1 1 17 4  24  o 22.600  0.9836 ?              ?         
1 1 1 17 4  25  o 11.330  0.8385 -0.6508000     1.677000  
1 1 1 17 4  26  o 26.870  0.7711 -1.531000      1.542000  
1 1 1 17 4  27  o 16.060  0.7839 4.464000       1.568000  
1 1 1 17 4  28  o 16.580  0.7257 -0.4190000     1.451000  
1 1 1 17 4  29  o 17.030  0.7333 -1.651000      1.467000  
1 1 1 17 4  30  o 15.040  0.8355 1.606000       1.671000  
1 1 1 17 4  31  o 13.770  0.5825 0.2004000      1.165000  
1 1 1 17 4  32  o 22.720  0.6454 -1.085000      1.291000  
1 1 1 17 4  33  o 8.1600  1.0300 5.612000       2.061000  
1 1 1 17 4  34  o 3.6740  1.1120 -0.8572000     2.224000  
1 1 1 17 4  35  o 20.430  0.6634 -0.7751000     1.327000  
1 1 1 17 4  36  o 25.740  0.7446 -1.583000      1.489000  
1 1 1 17 4  37  f 37.350  0.9809 0.4922000      1.962000  
1 1 1 17 4  38  o 21.580  0.7317 0.8090000E-01  1.463000  
1 1 1 17 4  39  o 24.900  0.7764 1.694000       1.553000  
1 1 1 17 4  40  f 14.450  0.8952 1.940000       1.790000  
1 1 1 17 4  41  o 8.3230  1.3800 -0.2688000     2.760000  
1 1 1 17 4  42  o 13.910  0.9163 -1.100000      1.833000  
1 1 1 17 4  43  o 19.910  0.8323 2.873000       1.665000  
1 1 1 17 4  44  o 15.080  0.9390 0.4214000      1.878000  
1 1 1 17 4  45  o 9.7600  1.4100 0.8022000      2.819000  
1 1 1 17 4  46  f 6.2810  1.5650 1.543000       3.129000  
1 1 1 17 4  47  o 15.030  1.0490 0.6062000      2.098000  
1 1 1 17 4  48  o 18.180  0.9950 2.206000       1.990000  
1 1 1 17 4  49  o 6.2490  1.6790 0.5948000      3.358000  
1 1 1 17 4  50  o 5.6300  1.7140 -1.584000      3.429000  
1 1 1 17 4  51  o 12.200  1.6640 3.913000       3.328000  
1 1 1 17 4  52  o 5.6180  1.7150 -1.487000      3.431000  
1 1 1 17 4  53  o 6.8390  1.8060 0.3977000      3.612000  
1 1 1 17 4  54  o 15.490  1.2920 -2.273000      2.583000  
1 1 1 17 4  55  o 7.5250  1.9860 -1.926000      3.973000  
1 1 1 17 4  56  o 6.4430  1.8560 -0.4493000     3.712000  
1 1 1 17 4  57  o 5.0380  1.6620 -0.9744000     3.324000  
1 1 1 17 4  58  o 6.6800  1.9330 -1.039000      3.866000  
1 1 1 17 4  59  o 7.8210  1.8650 3.518000       3.730000  
1 1 1 17 4  60  o 6.9130  1.9750 -1.388000      3.950000  
1 1 1 17 4  61  o 6.6210  1.9210 -3.697000      3.843000  
1 1 1 17 4  62  o 8.2420  2.0800 1.421000       4.160000  
1 1 1 17 4  63  o 7.0310  1.9900 -0.6197000E-01 3.979000  
1 1 1 17 4  64  o 10.610  2.0450 0.5676000      4.090000  
1 1 1 17 4  65  o 8.2520  2.0470 1.683000       4.095000  
1 1 1 17 4  66  o 7.3490  2.0620 -0.9232000     4.125000  
1 1 1 17 4  67  o 10.320  2.0580 5.092000       4.116000  
1 1 1 17 4  68  o 5.0870  1.7120 -0.8579000     3.424000  
1 1 1 17 4  69  o 5.8040  1.8470 -0.1910000     3.694000  
1 1 1 17 4  70  o 4.2200  1.4680 -0.7383000     2.935000  
1 1 1 17 4  71  o 4.9320  1.6540 0.3009000      3.309000  
1 1 1 17 4  72  o 4.8510  1.6330 0.1935000      3.265000  
1 1 1 17 4  73  o 5.2050  1.6400 1.344000       3.280000  
1 1 1 17 4  74  o 4.4640  1.4330 1.864000       2.867000  
1 1 1 17 4  75  o 4.5160  2.0190 ?              ?         
1 1 1 17 5  1   o 32.830  0.9666 ?              ?         
1 1 1 17 5  2   o 33.540  0.8545 -2.910000      1.709000  
1 1 1 17 5  3   o 35.320  1.0180 ?              ?         
1 1 1 17 5  5   f 35.280  0.7272 1.591000       1.454000  
1 1 1 17 5  6   o 37.900  1.1100 ?              ?         
1 1 1 17 5  7   f 28.710  0.7617 -0.8138000     1.523000  
1 1 1 17 5  8   o 34.200  0.8857 2.798000       1.771000  
1 1 1 17 5  9   o 30.380  0.8171 4.502000       1.634000  
1 1 1 17 5  10  o 48.660  0.9824 1.720000       1.965000  
1 1 1 17 5  11  o 59.770  1.6820 ?              ?         
1 1 1 17 5  13  o 17.600  0.5210 -2.743000      1.042000  
1 1 1 17 5  14  o 31.960  0.6912 2.996000       1.382000  
1 1 1 17 5  16  f 23.920  0.5872 1.423000       1.174000  
1 1 1 17 5  17  o 22.380  0.5940 -0.1997000     1.188000  
1 1 1 17 5  18  o 12.800  0.8542 ?              ?         
1 1 1 17 5  19  o 46.280  1.1490 -2.302000      2.297000  
1 1 1 17 5  20  o 21.600  0.9613 ?              ?         
1 1 1 17 5  21  o 27.710  0.7696 0.1379000      1.539000  
1 1 1 17 5  22  f 31.730  0.8488 -0.1513000     1.698000  
1 1 1 17 5  23  o 27.440  0.7744 -0.4447000     1.549000  
1 1 1 17 5  24  o 45.650  1.8540 ?              ?         
1 1 1 17 5  25  o 38.700  1.0440 5.264000       2.088000  
1 1 1 17 5  26  o 19.780  0.7098 0.6280000      1.420000  
1 1 1 17 5  27  o 13.270  0.8280 2.311000       1.656000  
1 1 1 17 5  28  o 4.3840  1.5050 -2.599000      3.010000  
1 1 1 17 5  29  o 9.9110  0.9994 -2.247000      1.999000  
1 1 1 17 5  30  o 11.540  0.6009 2.125000       1.202000  
1 1 1 17 5  31  o 19.180  0.5919 -2.331000      1.184000  
1 1 1 17 5  32  o 22.670  0.6474 0.1737000      1.295000  
1 1 1 17 5  33  o 24.540  0.6452 0.2192000      1.290000  
1 1 1 17 5  34  o 15.510  0.5969 1.556000       1.194000  
1 1 1 17 5  35  o 6.8520  0.9720 4.749000       1.944000  
1 1 1 17 5  36  o 7.6500  1.2260 -2.040000      2.452000  
1 1 1 17 5  37  o 14.520  0.7808 0.4849000      1.562000  
1 1 1 17 5  38  o 4.4620  1.3340 -0.2629000     2.667000  
1 1 1 17 5  39  f 33.680  0.8774 -0.9929000     1.755000  
1 1 1 17 5  40  f 15.720  0.8148 -0.2491000E-01 1.630000  
1 1 1 17 5  41  o 22.940  0.7867 2.487000       1.573000  
1 1 1 17 5  42  o 10.570  1.2000 1.459000       2.400000  
1 1 1 17 5  43  o 16.010  0.8625 0.2621000      1.725000  
1 1 1 17 5  44  o 15.710  0.9024 1.970000       1.805000  
1 1 1 17 5  45  o 12.230  1.0840 -1.996000      2.168000  
1 1 1 17 5  46  o 6.3560  1.5140 2.900000       3.028000  
1 1 1 17 5  47  o 5.9990  1.6240 -1.395000      3.248000  
1 1 1 17 5  48  o 10.550  1.4270 2.866000       2.854000  
1 1 1 17 5  49  o 7.3700  1.6740 -0.7050000     3.348000  
1 1 1 17 5  50  o 10.330  1.4800 3.851000       2.960000  
1 1 1 17 5  51  o 5.5260  1.5970 1.437000       3.195000  
1 1 1 17 5  52  o 6.1720  1.6330 -2.906000      3.267000  
1 1 1 17 5  53  o 7.0840  1.7220 -0.6867000E-01 3.445000  
1 1 1 17 5  54  o 5.3150  1.6100 0.4828000      3.220000  
1 1 1 17 5  55  f 7.1040  1.8710 0.3428000      3.742000  
1 1 1 17 5  56  f 5.6530  1.7510 -2.251000      3.502000  
1 1 1 17 5  57  o 10.520  1.8620 -1.966000      3.723000  
1 1 1 17 5  58  o 4.9480  1.6170 -0.3755000     3.235000  
1 1 1 17 5  59  o 5.1830  1.6730 -0.9840000     3.347000  
1 1 1 17 5  60  o 9.6770  1.8100 4.321000       3.620000  
1 1 1 17 5  61  o 3.9840  1.3830 0.4951000E-02  2.766000  
1 1 1 17 5  62  o 6.3180  1.8330 -0.4316000     3.666000  
1 1 1 17 5  63  o 4.7790  1.5800 0.1698000      3.160000  
1 1 1 17 5  64  o 10.360  1.9140 3.529000       3.828000  
1 1 1 17 5  65  o 6.1400  1.8500 1.075000       3.700000  
1 1 1 17 5  66  o 8.3760  1.9870 -1.660000      3.974000  
1 1 1 17 5  67  o 5.6610  1.7810 0.1905000      3.561000  
1 1 1 17 5  68  o 6.0800  1.8440 2.000000       3.688000  
1 1 1 17 5  69  o 4.8650  1.6120 -0.2257000     3.223000  
1 1 1 17 5  70  o 4.2480  1.4680 0.3645000      2.935000  
1 1 1 17 5  71  f 4.1650  1.4440 0.3352000      2.889000  
1 1 1 17 5  72  o 5.1670  1.6220 -0.5157000     3.243000  
1 1 1 17 5  73  o 3.7960  1.2870 0.2695000      2.575000  
1 1 1 17 5  74  o 4.3510  2.0670 ?              ?         
1 1 1 17 5  75  o 4.0200  1.9550 ?              ?         
1 1 1 17 6  1   o 42.960  0.8634 0.2915000      1.727000  
1 1 1 17 6  2   o 25.530  0.7885 ?              ?         
1 1 1 17 6  3   o 24.990  0.5560 0.3828000      1.112000  
1 1 1 17 6  5   o 27.720  0.5974 4.417000       1.195000  
1 1 1 17 6  6   o 39.760  0.9670 4.370000       1.934000  
1 1 1 17 6  8   o 9.4690  0.7836 ?              ?         
1 1 1 17 6  9   o 13.230  0.5295 -0.6441000     1.059000  
1 1 1 17 6  10  o 7.5540  0.7815 0.5613000E-01  1.563000  
1 1 1 17 6  11  o 4.0810  1.0420 -0.1462000E-01 2.084000  
1 1 1 17 6  12  o 13.950  0.5371 2.228000       1.074000  
1 1 1 17 6  13  o 22.850  0.5686 2.924000       1.137000  
1 1 1 17 6  14  o 20.350  0.5581 -0.4054000E-01 1.116000  
1 1 1 17 6  15  o 29.830  0.6726 -0.3206000     1.345000  
1 1 1 17 6  16  f 45.980  0.9410 3.300000       1.882000  
1 1 1 17 6  18  o 21.410  0.5894 -1.414000      1.179000  
1 1 1 17 6  19  o 13.850  1.0450 ?              ?         
1 1 1 17 6  20  o 13.450  0.6469 1.374000       1.294000  
1 1 1 17 6  21  o 18.420  0.6759 -0.4772000     1.352000  
1 1 1 17 6  22  o 21.370  0.6870 0.2174000      1.374000  
1 1 1 17 6  23  o 28.550  0.7888 -1.666000      1.578000  
1 1 1 17 6  24  o 14.120  0.7604 0.8934000      1.521000  
1 1 1 17 6  25  o 37.100  0.9508 -3.397000      1.902000  
1 1 1 17 6  26  o 30.660  1.2860 ?              ?         
1 1 1 17 6  27  f 21.270  0.7260 -0.6566000     1.452000  
1 1 1 17 6  28  o 19.940  0.7308 -0.9912000     1.462000  
1 1 1 17 6  29  o 10.640  0.9921 0.8744000      1.984000  
1 1 1 17 6  30  o 13.070  0.5874 0.6117000      1.175000  
1 1 1 17 6  31  f 6.6270  0.9252 0.7456000      1.850000  
1 1 1 17 6  32  o 10.880  0.6681 -0.7816000     1.336000  
1 1 1 17 6  33  o 21.020  0.6097 -1.425000      1.219000  
1 1 1 17 6  34  o 23.970  0.6431 -0.7041000     1.286000  
1 1 1 17 6  35  o 35.980  0.8465 -2.031000      1.693000  
1 1 1 17 6  36  o 22.920  0.6511 2.727000       1.302000  
1 1 1 17 6  37  o 28.170  0.7248 -0.2840000     1.450000  
1 1 1 17 6  38  o 11.250  0.7695 6.661000       1.539000  
1 1 1 17 6  39  o 19.700  0.7378 -3.396000      1.476000  
1 1 1 17 6  40  o 9.4790  1.2730 4.194000       2.546000  
1 1 1 17 6  41  o 9.0960  1.3060 2.407000       2.613000  
1 1 1 17 6  42  o 15.320  0.8597 -1.257000      1.719000  
1 1 1 17 6  43  o 15.330  0.9511 2.140000       1.902000  
1 1 1 17 6  44  o 13.040  1.0720 -0.4424000     2.143000  
1 1 1 17 6  45  o 9.7420  1.4510 3.870000       2.903000  
1 1 1 17 6  46  o 12.840  1.1130 -3.819000      2.225000  
1 1 1 17 6  47  o 8.0170  1.4240 -6.459000      2.847000  
1 1 1 17 6  48  o 18.360  0.9424 0.8969000      1.885000  
1 1 1 17 6  49  f 5.8890  1.6220 0.8640000      3.244000  
1 1 1 17 6  50  o 7.4060  1.6950 -1.163000      3.390000  
1 1 1 17 6  51  o 4.8250  1.4830 0.9262000      2.967000  
1 1 1 17 6  52  o 4.5330  1.4400 0.4892000      2.880000  
1 1 1 17 6  53  o 10.490  1.5360 1.166000       3.072000  
1 1 1 17 6  54  o 8.4840  1.7110 -3.127000      3.422000  
1 1 1 17 6  55  o 5.8310  1.6270 2.625000       3.255000  
1 1 1 17 6  56  o 9.8110  1.6690 -3.649000      3.338000  
1 1 1 17 6  57  o 12.550  1.4580 -2.227000      2.915000  
1 1 1 17 6  58  f 11.430  1.5650 1.071000       3.131000  
1 1 1 17 6  59  o 4.4520  1.4710 -0.6558000E-01 2.942000  
1 1 1 17 6  60  o 5.5060  1.6300 2.602000       3.259000  
1 1 1 17 6  61  o 4.9580  1.6090 -0.2712000     3.218000  
1 1 1 17 6  62  o 6.9050  1.8920 -0.1366000E-01 3.784000  
1 1 1 17 6  63  o 4.5960  1.5310 -0.9101000     3.061000  
1 1 1 17 6  64  o 6.5980  1.8740 -0.8438000     3.747000  
1 1 1 17 6  65  o 7.6690  1.9760 -0.3898000E-01 3.952000  
1 1 1 17 6  66  o 6.5040  1.8330 -2.293000      3.667000  
1 1 1 17 6  67  o 4.9890  1.6400 -0.3262000     3.281000  
1 1 1 17 6  68  f 5.2830  1.7040 0.2807000      3.409000  
1 1 1 17 6  69  o 4.7880  1.5790 -0.6841000     3.159000  
1 1 1 17 6  70  o 4.5010  1.5240 1.636000       3.049000  
1 1 1 17 6  71  f 4.6840  1.5510 1.020000       3.103000  
1 1 1 17 6  72  o 4.0780  1.3720 0.5696000      2.745000  
1 1 1 17 6  73  o 4.4820  1.4490 1.163000       2.899000  
1 1 1 17 6  74  o 3.6060  1.7890 ?              ?         
1 1 1 17 7  0   o 10.290  0.8782 0.000000       0.000000  
1 1 1 17 7  1   o 20.800  0.5058 0.2994000E-01  1.012000  
1 1 1 17 7  2   o 13.280  0.7693 ?              ?         
1 1 1 17 7  3   o 27.280  0.5917 0.8746000      1.183000  
1 1 1 17 7  4   f 18.490  0.6468 ?              ?         
1 1 1 17 7  5   o 31.140  0.5975 2.644000       1.195000  
1 1 1 17 7  6   f 19.770  0.5450 ?              ?         
1 1 1 17 7  7   o 28.300  0.5683 4.015000       1.137000  
1 1 1 17 7  8   o 27.910  0.5682 3.100000       1.136000  
1 1 1 17 7  9   o 39.310  0.7382 -1.054000      1.476000  
1 1 1 17 7  10  o 36.770  0.8638 0.4699000      1.728000  
1 1 1 17 7  12  o 45.120  1.2880 ?              ?         
1 1 1 17 7  13  o 48.520  0.9870 -2.515000      1.974000  
1 1 1 17 7  14  o 46.670  0.9538 1.308000       1.908000  
1 1 1 17 7  16  f 16.540  0.5947 -3.498000      1.189000  
1 1 1 17 7  17  o 22.120  0.5982 1.443000       1.196000  
1 1 1 17 7  18  o 42.940  0.8932 1.738000       1.786000  
1 1 1 17 7  20  o 15.740  0.6226 -1.613000      1.245000  
1 1 1 17 7  21  o 35.750  1.0460 ?              ?         
1 1 1 17 7  22  f 28.280  1.0700 ?              ?         
1 1 1 17 7  23  o 14.160  0.6679 0.1591000      1.336000  
1 1 1 17 7  24  o 12.510  0.7798 -0.9643000     1.560000  
1 1 1 17 7  25  o 26.970  0.7680 -2.664000      1.536000  
1 1 1 17 7  26  o 15.230  0.9338 ?              ?         
1 1 1 17 7  27  o 16.580  0.7319 -1.132000      1.464000  
1 1 1 17 7  28  o 15.010  0.5798 -0.2917000     1.160000  
1 1 1 17 7  29  o 21.560  0.6114 -2.250000      1.223000  
1 1 1 17 7  30  o 23.900  0.6590 0.4597000      1.318000  
1 1 1 17 7  31  f 12.060  0.6194 4.986000       1.239000  
1 1 1 17 7  32  o 13.980  0.6307 -1.224000      1.261000  
1 1 1 17 7  33  o 11.260  0.6893 2.658000       1.379000  
1 1 1 17 7  34  o 9.8480  0.7942 -0.3558000     1.588000  
1 1 1 17 7  35  o 13.590  0.6773 -2.052000      1.355000  
1 1 1 17 7  36  o 27.030  0.7388 0.6239000      1.478000  
1 1 1 17 7  37  o 23.630  0.6919 -1.480000      1.384000  
1 1 1 17 7  38  o 22.160  0.6947 1.074000       1.389000  
1 1 1 17 7  39  o 24.920  0.7364 1.832000       1.473000  
1 1 1 17 7  40  o 9.3880  0.9622 1.353000       1.924000  
1 1 1 17 7  41  o 12.500  0.7921 0.1807000      1.584000  
1 1 1 17 7  42  o 7.8560  1.1400 -1.307000      2.281000  
1 1 1 17 7  43  o 11.360  1.4810 3.187000       2.961000  
1 1 1 17 7  44  o 8.6940  1.6980 -2.031000      3.396000  
1 1 1 17 7  45  o 7.5820  1.7770 -0.2203000     3.553000  
1 1 1 17 7  46  o 5.2100  1.6270 -1.565000      3.255000  
1 1 1 17 7  47  o 10.140  1.6290 3.193000       3.258000  
1 1 1 17 7  48  o 13.530  1.3620 -1.966000      2.724000  
1 1 1 17 7  49  o 10.310  1.7520 -1.752000      3.503000  
1 1 1 17 7  50  o 9.0160  1.8180 0.6282000      3.635000  
1 1 1 17 7  51  o 6.5320  1.7510 1.630000       3.502000  
1 1 1 17 7  52  f 11.390  1.7130 5.005000       3.426000  
1 1 1 17 7  53  o 6.5860  1.8730 -2.373000      3.746000  
1 1 1 17 7  54  o 9.7760  1.8160 3.400000       3.632000  
1 1 1 17 7  55  o 7.1740  1.9530 -3.064000      3.905000  
1 1 1 17 7  56  o 5.1840  1.6710 -0.1956000     3.341000  
1 1 1 17 7  57  o 5.4580  1.7340 -1.347000      3.468000  
1 1 1 17 7  58  o 4.7000  1.5790 -1.027000      3.158000  
1 1 1 17 7  59  o 5.6250  1.6840 1.621000       3.367000  
1 1 1 17 7  60  o 5.8680  1.7640 0.7932000      3.527000  
1 1 1 17 7  61  o 5.9710  1.7900 -0.7251000     3.580000  
1 1 1 17 7  62  o 4.7450  1.5630 0.8598000      3.126000  
1 1 1 17 7  63  o 5.1310  1.6670 0.2665000      3.334000  
1 1 1 17 7  64  f 6.1820  1.8770 -0.4079000     3.755000  
1 1 1 17 7  65  o 5.8500  1.8150 -2.248000      3.629000  
1 1 1 17 7  66  o 5.9060  1.8870 1.573000       3.775000  
1 1 1 17 7  67  o 5.2300  1.7810 -0.7242000     3.563000  
1 1 1 17 7  68  o 4.9050  1.6250 1.969000       3.250000  
1 1 1 17 7  69  o 5.9120  1.8940 0.4554000      3.789000  
1 1 1 17 7  70  o 3.8290  1.3580 0.8033000E-01  2.717000  
1 1 1 17 7  71  f 4.4830  1.5200 -1.574000      3.039000  
1 1 1 17 7  72  o 3.8300  1.3230 0.7471000      2.646000  
1 1 1 17 7  73  o 3.5300  1.7580 ?              ?         
1 1 1 17 7  74  o 3.5270  1.7630 ?              ?         
1 1 1 17 8  0   o 13.020  0.7489 0.000000       0.000000  
1 1 1 17 8  1   o 12.300  0.5368 2.289000       1.074000  
1 1 1 17 8  2   o 18.220  0.4952 1.993000       0.9904000 
1 1 1 17 8  3   o 24.000  0.5502 1.616000       1.100000  
1 1 1 17 8  4   o 29.930  0.5813 1.864000       1.163000  
1 1 1 17 8  5   o 21.580  0.7401 ?              ?         
1 1 1 17 8  6   o 25.010  0.5237 0.6274000      1.047000  
1 1 1 17 8  7   o 21.600  0.5746 ?              ?         
1 1 1 17 8  8   o 25.720  0.5385 -1.555000      1.077000  
1 1 1 17 8  9   f 12.310  0.6038 ?              ?         
1 1 1 17 8  10  o 31.650  0.7553 ?              ?         
1 1 1 17 8  11  o 22.170  0.5819 ?              ?         
1 1 1 17 8  12  o 20.020  0.5213 -1.862000      1.043000  
1 1 1 17 8  13  o 17.080  0.9125 ?              ?         
1 1 1 17 8  14  o 58.530  1.4450 5.110000       2.890000  
1 1 1 17 8  16  o 60.250  1.7160 ?              ?         
1 1 1 17 8  18  o 23.770  0.6201 3.402000       1.240000  
1 1 1 17 8  20  o 24.440  0.6355 2.921000       1.271000  
1 1 1 17 8  21  o 12.550  0.7250 -0.8624000     1.450000  
1 1 1 17 8  22  o 32.470  0.6462 -0.3908000     1.292000  
1 1 1 17 8  23  o 11.830  1.0980 ?              ?         
1 1 1 17 8  24  o 19.600  0.5408 -2.420000      1.082000  
1 1 1 17 8  25  f 26.870  0.5752 0.2448000E-01  1.150000  
1 1 1 17 8  26  o 14.060  0.8533 ?              ?         
1 1 1 17 8  27  o 16.840  0.6015 -1.269000      1.203000  
1 1 1 17 8  28  o 17.690  0.5909 0.4822000E-01  1.182000  
1 1 1 17 8  29  o 8.3470  0.8162 0.7518000      1.632000  
1 1 1 17 8  30  o 17.090  0.6107 -1.416000      1.221000  
1 1 1 17 8  31  o 11.970  0.6664 1.439000       1.333000  
1 1 1 17 8  32  o 18.620  0.6171 -2.750000      1.234000  
1 1 1 17 8  33  f 12.590  0.6619 1.441000       1.324000  
1 1 1 17 8  34  o 18.000  0.6425 -3.062000      1.285000  
1 1 1 17 8  35  f 11.000  0.7608 3.691000       1.522000  
1 1 1 17 8  36  o 10.870  0.7852 0.9112000      1.570000  
1 1 1 17 8  37  o 9.4860  0.8805 1.309000       1.761000  
1 1 1 17 8  38  o 9.9790  0.9379 -2.471000      1.876000  
1 1 1 17 8  39  o 5.6400  1.2710 1.034000       2.541000  
1 1 1 17 8  40  o 11.980  0.8562 -2.617000      1.712000  
1 1 1 17 8  41  o 17.880  0.7103 0.3590000      1.421000  
1 1 1 17 8  42  o 7.6260  1.1680 5.205000       2.335000  
1 1 1 17 8  43  o 11.520  0.9146 -1.096000      1.829000  
1 1 1 17 8  44  f 13.530  0.8086 0.7833000      1.617000  
1 1 1 17 8  45  o 11.720  0.8835 2.076000       1.767000  
1 1 1 17 8  46  o 9.0590  1.7120 0.4774000      3.424000  
1 1 1 17 8  47  o 6.6680  1.6430 2.201000       3.286000  
1 1 1 17 8  48  o 7.0730  1.7740 -2.250000      3.549000  
1 1 1 17 8  49  o 8.6470  1.5770 4.539000       3.153000  
1 1 1 17 8  50  o 19.880  1.0680 1.729000       2.136000  
1 1 1 17 8  51  o 10.110  1.6660 4.407000       3.332000  
1 1 1 17 8  52  o 16.060  1.2960 1.725000       2.593000  
1 1 1 17 8  53  o 6.2380  1.8360 -1.472000      3.671000  
1 1 1 17 8  54  o 4.3780  1.4820 -0.4580000     2.963000  
1 1 1 17 8  55  o 5.7980  1.7900 -1.645000      3.581000  
1 1 1 17 8  56  o 17.520  1.3810 3.860000       2.763000  
1 1 1 17 8  57  o 5.7520  1.7520 0.3969000E-01  3.503000  
1 1 1 17 8  58  o 4.5860  1.5090 0.4866000      3.018000  
1 1 1 17 8  59  o 5.5080  1.6730 1.302000       3.346000  
1 1 1 17 8  60  o 6.4910  1.8680 -1.585000      3.736000  
1 1 1 17 8  61  o 5.0460  1.6470 -0.5331000     3.294000  
1 1 1 17 8  62  o 5.2270  1.6920 -2.020000      3.384000  
1 1 1 17 8  63  f 5.0470  1.6610 -0.8307000     3.322000  
1 1 1 17 8  64  o 4.8520  1.6090 0.4366000      3.218000  
1 1 1 17 8  65  o 5.1760  1.6940 -1.643000      3.388000  
1 1 1 17 8  66  o 4.6740  1.5610 0.9165000      3.121000  
1 1 1 17 8  67  o 6.5810  1.8640 1.739000       3.728000  
1 1 1 17 8  68  o 4.2920  1.4680 0.1251000      2.936000  
1 1 1 17 8  69  o 3.9240  1.3620 0.5825000      2.723000  
1 1 1 17 8  70  o 3.7700  1.2930 0.1442000      2.585000  
1 1 1 17 8  71  o 4.3160  1.4460 -1.557000      2.892000  
1 1 1 17 8  72  o 4.1960  2.0060 ?              ?         
1 1 1 17 8  73  o 3.3800  1.6950 ?              ?         
1 1 1 17 9  0   o 23.230  0.7590 0.000000       0.000000  
1 1 1 17 9  1   o 22.470  0.4919 -0.2488000     0.9837000 
1 1 1 17 9  2   o 26.190  0.5337 -0.1603000     1.067000  
1 1 1 17 9  3   o 18.340  0.4490 0.4268000E-01  0.8979000 
1 1 1 17 9  4   f 22.870  0.4586 0.3207000      0.9172000 
1 1 1 17 9  5   o 27.570  0.5061 -1.974000      1.012000  
1 1 1 17 9  6   o 12.920  0.7235 2.114000       1.447000  
1 1 1 17 9  7   o 10.720  0.5415 0.5670000E-01  1.083000  
1 1 1 17 9  8   o 13.820  0.4853 0.7096000E-01  0.9705000 
1 1 1 17 9  9   o 31.520  0.5544 2.438000       1.109000  
1 1 1 17 9  10  o 27.780  0.5153 -3.321000      1.031000  
1 1 1 17 9  11  o 22.290  0.4673 0.5722000      0.9346000 
1 1 1 17 9  12  o 30.920  0.5489 -1.302000      1.098000  
1 1 1 17 9  13  o 16.760  0.6140 1.905000       1.228000  
1 1 1 17 9  14  o 34.800  0.6004 0.5913000      1.201000  
1 1 1 17 9  15  o 15.540  1.0620 ?              ?         
1 1 1 17 9  16  o 13.210  0.5582 1.059000       1.116000  
1 1 1 17 9  17  o 33.940  0.6630 -0.8533000     1.326000  
1 1 1 17 9  18  o 33.160  0.7084 -3.331000      1.417000  
1 1 1 17 9  19  o 6.6610  1.7080 ?              ?         
1 1 1 17 9  20  o 16.280  0.5236 -0.6078000     1.047000  
1 1 1 17 9  21  o 27.380  0.5823 -2.667000      1.165000  
1 1 1 17 9  22  o 25.500  0.5930 3.982000       1.186000  
1 1 1 17 9  23  o 16.100  0.9491 ?              ?         
1 1 1 17 9  24  o 40.050  0.8571 -3.382000      1.714000  
1 1 1 17 9  25  f 29.630  0.6273 0.2383000      1.255000  
1 1 1 17 9  26  o 30.430  0.6318 -3.408000      1.264000  
1 1 1 17 9  27  o 24.870  0.5760 2.078000       1.152000  
1 1 1 17 9  28  o 9.0100  0.7699 0.2918000      1.540000  
1 1 1 17 9  29  o 15.240  0.5654 -1.951000      1.131000  
1 1 1 17 9  30  f 17.360  0.5381 0.2681000      1.076000  
1 1 1 17 9  31  o 9.5900  0.8354 -0.2715000     1.671000  
1 1 1 17 9  32  o 20.730  0.6561 -0.7081000     1.312000  
1 1 1 17 9  33  o 10.580  0.7759 2.642000       1.552000  
1 1 1 17 9  34  f 18.690  0.6490 -2.019000      1.298000  
1 1 1 17 9  35  o 10.450  0.8013 3.102000       1.603000  
1 1 1 17 9  36  o 9.1770  0.9355 0.6379000      1.871000  
1 1 1 17 9  37  o 5.0420  1.2420 0.6148000      2.484000  
1 1 1 17 9  38  o 13.910  0.7534 -1.373000      1.507000  
1 1 1 17 9  39  o 14.360  0.7484 -2.267000      1.497000  
1 1 1 17 9  40  f 15.960  0.7242 2.829000       1.448000  
1 1 1 17 9  41  o 7.1790  1.2350 -0.9538000     2.469000  
1 1 1 17 9  42  o 18.630  0.7341 -1.199000      1.468000  
1 1 1 17 9  43  o 9.7450  1.0370 6.323000       2.074000  
1 1 1 17 9  44  f 5.6220  1.3310 -0.2089000     2.663000  
1 1 1 17 9  45  o 6.6860  1.3250 1.297000       2.649000  
1 1 1 17 9  46  o 19.380  0.7413 -0.6547000     1.483000  
1 1 1 17 9  47  o 14.800  0.8137 6.090000       1.627000  
1 1 1 17 9  48  o 11.050  1.0740 -0.8980000     2.147000  
1 1 1 17 9  49  o 16.860  0.8145 3.051000       1.629000  
1 1 1 17 9  50  o 5.8170  1.7030 -1.235000      3.405000  
1 1 1 17 9  51  o 9.9570  1.7320 -0.7454000     3.463000  
1 1 1 17 9  52  o 8.6460  1.8580 0.6700000      3.717000  
1 1 1 17 9  53  o 7.1660  1.8770 0.8057000      3.754000  
1 1 1 17 9  54  o 14.240  1.5930 1.139000       3.185000  
1 1 1 17 9  55  o 5.4370  1.6970 0.4720000      3.394000  
1 1 1 17 9  56  o 8.8800  1.9210 0.7249000      3.843000  
1 1 1 17 9  57  o 5.5260  1.6910 -0.2395000     3.382000  
1 1 1 17 9  58  o 3.8330  1.3350 -0.4894000     2.669000  
1 1 1 17 9  59  o 4.6730  1.5490 -0.7146000     3.099000  
1 1 1 17 9  60  o 5.4800  1.7300 -2.379000      3.461000  
1 1 1 17 9  61  o 5.5920  1.7360 1.199000       3.472000  
1 1 1 17 9  62  o 4.7060  1.5770 0.6126000      3.153000  
1 1 1 17 9  63  o 4.5230  1.5480 -0.8919000     3.095000  
1 1 1 17 9  64  o 7.4790  1.9090 2.845000       3.818000  
1 1 1 17 9  65  o 5.6180  1.7140 1.488000       3.429000  
1 1 1 17 9  66  o 5.1920  1.6590 0.6351000      3.317000  
1 1 1 17 9  67  o 4.0390  1.3950 0.2454000      2.789000  
1 1 1 17 9  68  o 4.1750  1.4170 0.8203000      2.835000  
1 1 1 17 9  69  o 4.1790  1.3990 0.9925000      2.798000  
1 1 1 17 9  70  o 4.9730  1.5370 2.720000       3.074000  
1 1 1 17 9  71  o 3.5280  1.7540 ?              ?         
1 1 1 17 9  72  o 3.0140  1.5320 ?              ?         
1 1 1 17 10 0   o 28.240  0.6396 0.000000       0.000000  
1 1 1 17 10 1   o 23.940  0.5006 0.1865000      1.001000  
1 1 1 17 10 2   o 24.090  0.4933 0.6012000      0.9867000 
1 1 1 17 10 3   o 26.330  0.4847 -0.8741000     0.9694000 
1 1 1 17 10 4   o 9.8660  0.9422 3.318000       1.884000  
1 1 1 17 10 5   f 16.850  0.4484 0.4802000      0.8969000 
1 1 1 17 10 6   o 19.510  0.4931 0.9593000      0.9861000 
1 1 1 17 10 7   o 33.540  0.5577 1.084000       1.115000  
1 1 1 17 10 8   o 15.590  0.6999 4.427000       1.400000  
1 1 1 17 10 9   f 20.270  0.4622 0.1780000      0.9244000 
1 1 1 17 10 10  o 18.590  0.4575 -0.6230000E-01 0.9149000 
1 1 1 17 10 11  o 24.450  0.4944 2.001000       0.9888000 
1 1 1 17 10 12  o 13.980  0.6658 0.3734000      1.332000  
1 1 1 17 10 13  o 9.3340  0.6268 -1.677000      1.254000  
1 1 1 17 10 14  o 11.020  0.5560 0.2861000      1.112000  
1 1 1 17 10 15  o 18.060  0.4561 -1.448000      0.9122000 
1 1 1 17 10 16  o 20.400  0.5209 1.642000       1.042000  
1 1 1 17 10 17  o 21.900  0.5328 -3.145000      1.066000  
1 1 1 17 10 18  o 16.930  0.5389 0.7439000      1.078000  
1 1 1 17 10 19  o 18.460  0.5324 -0.2025000     1.065000  
1 1 1 17 10 20  o 13.290  0.7097 -2.660000      1.419000  
1 1 1 17 10 21  o 12.660  0.6001 -0.2103000     1.200000  
1 1 1 17 10 22  o 18.210  0.5524 -1.830000      1.105000  
1 1 1 17 10 23  o 22.140  0.5531 -0.8301000     1.106000  
1 1 1 17 10 24  o 19.700  0.5369 0.3435000      1.074000  
1 1 1 17 10 25  f 13.240  0.6147 -2.933000      1.229000  
1 1 1 17 10 26  o 18.170  0.5414 0.2991000E-02  1.083000  
1 1 1 17 10 27  o 8.7680  1.0410 ?              ?         
1 1 1 17 10 28  o 14.850  0.5645 -0.4772000     1.129000  
1 1 1 17 10 29  o 13.610  0.6023 -1.785000      1.205000  
1 1 1 17 10 30  o 23.100  0.5552 -0.4548000     1.110000  
1 1 1 17 10 31  o 11.220  0.8343 ?              ?         
1 1 1 17 10 32  o 7.9260  0.8967 -2.389000      1.793000  
1 1 1 17 10 33  o 11.110  0.6426 0.7658000E-02  1.285000  
1 1 1 17 10 34  o 25.350  0.7195 -1.443000      1.439000  
1 1 1 17 10 35  o 18.660  0.6759 -0.4408000     1.352000  
1 1 1 17 10 36  o 30.180  0.8076 0.2214000      1.615000  
1 1 1 17 10 37  o 19.790  0.6890 -0.7972000     1.378000  
1 1 1 17 10 38  o 11.020  0.8651 5.592000       1.730000  
1 1 1 17 10 39  o 7.4210  1.2100 -2.353000      2.419000  
1 1 1 17 10 40  o 15.850  0.7455 -0.3497000     1.491000  
1 1 1 17 10 41  o 10.550  0.9499 0.8819000      1.900000  
1 1 1 17 10 42  o 6.5230  1.3190 2.650000       2.639000  
1 1 1 17 10 43  o 16.020  0.7626 1.683000       1.525000  
1 1 1 17 10 44  o 9.6340  1.0780 2.159000       2.157000  
1 1 1 17 10 45  o 19.720  0.7533 1.349000       1.507000  
1 1 1 17 10 46  o 6.3550  1.2650 4.810000       2.530000  
1 1 1 17 10 47  o 13.510  0.8703 -1.346000      1.741000  
1 1 1 17 10 48  o 5.2240  1.3710 -0.5075000     2.743000  
1 1 1 17 10 49  o 13.780  0.9129 0.2414000      1.826000  
1 1 1 17 10 50  o 8.0100  1.4110 4.358000       2.821000  
1 1 1 17 10 51  o 7.1450  1.5200 2.012000       3.040000  
1 1 1 17 10 52  o 5.8130  1.4060 -2.011000      2.812000  
1 1 1 17 10 53  f 19.070  0.8488 0.9848000      1.698000  
1 1 1 17 10 54  f 8.5330  1.8650 -3.511000      3.731000  
1 1 1 17 10 55  o 8.0910  1.6750 4.707000       3.349000  
1 1 1 17 10 56  o 4.9710  1.6090 0.7415000E-01  3.217000  
1 1 1 17 10 57  o 5.1530  1.6690 -0.7860000     3.337000  
1 1 1 17 10 58  o 6.6770  1.8500 1.884000       3.700000  
1 1 1 17 10 59  o 7.3120  1.9420 1.543000       3.884000  
1 1 1 17 10 60  o 5.3870  1.7470 -0.6924000     3.495000  
1 1 1 17 10 61  o 5.6070  1.7820 -0.8314000     3.565000  
1 1 1 17 10 62  o 4.9540  1.6070 0.9616000      3.214000  
1 1 1 17 10 63  o 5.6040  1.7460 -0.6473000     3.491000  
1 1 1 17 10 64  o 4.5310  1.5080 1.161000       3.015000  
1 1 1 17 10 65  o 4.8360  1.5840 1.021000       3.168000  
1 1 1 17 10 66  o 4.7930  1.5810 -0.3919000E-01 3.162000  
1 1 1 17 10 67  o 5.6650  1.7110 0.8156000      3.423000  
1 1 1 17 10 68  f 4.2810  1.4110 2.271000       2.823000  
1 1 1 17 10 69  o 3.7610  1.3080 -0.2767000     2.616000  
1 1 1 17 10 70  o 6.0600  2.5040 ?              ?         
1 1 1 17 11 0   o 33.810  0.8483 -0.000000      0.000000  
1 1 1 17 11 1   o 26.970  0.5716 1.454000       1.143000  
1 1 1 17 11 2   o 23.230  0.4214 -0.1233000     0.8428000 
1 1 1 17 11 3   o 16.040  0.5171 -1.999000      1.034000  
1 1 1 17 11 4   o 12.820  0.5505 -3.788000      1.101000  
1 1 1 17 11 5   o 31.500  0.5349 -0.5121000     1.070000  
1 1 1 17 11 6   f 15.170  0.7183 3.721000       1.437000  
1 1 1 17 11 7   o 11.950  0.8164 3.230000       1.633000  
1 1 1 17 11 8   o 19.650  0.4498 0.7169000      0.8997000 
1 1 1 17 11 9   o 22.390  0.4680 0.3799000      0.9360000 
1 1 1 17 11 10  o 26.110  0.4910 0.2240000      0.9820000 
1 1 1 17 11 11  o 20.680  0.5948 1.840000       1.190000  
1 1 1 17 11 12  o 19.280  0.4617 -0.9609000     0.9234000 
1 1 1 17 11 13  o 13.540  0.7390 3.298000       1.478000  
1 1 1 17 11 14  o 15.550  0.4829 0.1374000      0.9659000 
1 1 1 17 11 15  o 13.410  0.5098 -1.573000      1.020000  
1 1 1 17 11 16  o 10.880  0.6063 1.880000       1.213000  
1 1 1 17 11 17  o 5.1190  1.0270 -2.030000      2.054000  
1 1 1 17 11 18  o 17.140  0.5386 0.3420000      1.077000  
1 1 1 17 11 19  o 9.9390  0.7519 0.3120000      1.504000  
1 1 1 17 11 20  o 16.850  0.5437 -1.507000      1.087000  
1 1 1 17 11 21  o 10.650  0.7007 2.538000       1.401000  
1 1 1 17 11 22  o 5.9090  1.1050 -1.307000      2.209000  
1 1 1 17 11 23  o 17.870  0.5476 0.6063000      1.095000  
1 1 1 17 11 24  o 11.660  0.6603 -0.1717000     1.321000  
1 1 1 17 11 25  o 12.410  0.6259 0.8245000      1.252000  
1 1 1 17 11 26  o 20.490  0.5385 -3.250000      1.077000  
1 1 1 17 11 27  o 19.890  0.5665 -0.6777000     1.133000  
1 1 1 17 11 28  o 16.180  0.7441 ?              ?         
1 1 1 17 11 29  o 14.890  0.5696 0.8081000      1.139000  
1 1 1 17 11 30  o 6.9490  0.9881 -0.3367000     1.976000  
1 1 1 17 11 31  o 5.6180  1.0860 -2.039000      2.172000  
1 1 1 17 11 32  o 9.3640  0.7710 -0.7541000     1.542000  
1 1 1 17 11 33  o 6.7250  1.0600 -0.5646000     2.120000  
1 1 1 17 11 34  o 12.950  0.6361 -1.436000      1.272000  
1 1 1 17 11 35  o 5.0320  1.1750 0.9831000      2.350000  
1 1 1 17 11 36  f 5.2070  1.1850 -0.3737000     2.369000  
1 1 1 17 11 37  o 9.1680  0.8268 0.7918000E-01  1.654000  
1 1 1 17 11 38  o 8.5570  1.1270 -0.5002000     2.254000  
1 1 1 17 11 39  o 6.4480  1.2720 -0.9369000     2.543000  
1 1 1 17 11 40  o 8.1780  1.1810 -1.158000      2.361000  
1 1 1 17 11 41  o 12.070  0.8679 0.1600000      1.736000  
1 1 1 17 11 42  o 7.8920  1.2440 0.2178000      2.488000  
1 1 1 17 11 43  o 11.850  0.9461 -1.332000      1.892000  
1 1 1 17 11 44  o 6.4440  1.2670 4.953000       2.533000  
1 1 1 17 11 45  o 10.210  1.1510 -2.853000      2.301000  
1 1 1 17 11 46  o 15.930  0.8243 1.210000       1.649000  
1 1 1 17 11 47  o 8.3280  1.3300 1.000000       2.659000  
1 1 1 17 11 48  o 16.660  0.8369 -1.104000      1.674000  
1 1 1 17 11 49  o 5.3200  1.4330 1.651000       2.867000  
1 1 1 17 11 50  o 12.480  1.0140 -0.2455000     2.028000  
1 1 1 17 11 51  o 5.5110  1.4230 4.060000       2.846000  
1 1 1 17 11 52  o 14.690  1.0640 -2.813000      2.128000  
1 1 1 17 11 53  o 4.5980  1.4180 2.624000       2.836000  
1 1 1 17 11 54  o 8.2630  1.5090 -0.4312000     3.019000  
1 1 1 17 11 55  o 12.500  1.1090 1.175000       2.217000  
1 1 1 17 11 56  o 5.0640  1.4650 2.552000       2.929000  
1 1 1 17 11 57  o 6.1530  1.5560 1.856000       3.112000  
1 1 1 17 11 58  o 3.9610  1.3630 0.4111000      2.727000  
1 1 1 17 11 59  o 5.8400  1.8050 -1.087000      3.609000  
1 1 1 17 11 60  o 5.6660  1.7680 0.1398000      3.537000  
1 1 1 17 11 61  o 4.5870  1.5530 -0.8082000     3.106000  
1 1 1 17 11 62  o 3.9600  1.3680 0.1139000      2.737000  
1 1 1 17 11 63  o 3.9780  1.3730 -0.6712000     2.747000  
1 1 1 17 11 64  o 4.3730  1.4670 0.5816000      2.934000  
1 1 1 17 11 65  o 4.2100  1.4280 -0.8202000     2.857000  
1 1 1 17 11 66  o 4.2930  1.4100 -0.7302000     2.821000  
1 1 1 17 11 67  o 4.0670  1.3550 1.635000       2.711000  
1 1 1 17 11 68  o 3.5300  1.2410 0.6586000      2.482000  
1 1 1 17 12 0   o 19.610  0.7235 -0.000000      0.000000  
1 1 1 17 12 1   o 40.560  0.5995 0.7355000      1.199000  
1 1 1 17 12 2   o 23.680  0.5220 0.2031000      1.044000  
1 1 1 17 12 3   o 31.850  0.5059 0.7258000      1.012000  
1 1 1 17 12 4   o 28.140  0.5099 2.795000       1.020000  
1 1 1 17 12 5   o 25.490  0.5759 -1.864000      1.152000  
1 1 1 17 12 6   o 37.000  0.7089 -1.717000      1.418000  
1 1 1 17 12 7   o 24.780  0.5798 3.470000       1.160000  
1 1 1 17 12 8   o 24.510  0.5376 4.017000       1.075000  
1 1 1 17 12 9   o 31.770  0.5500 1.964000       1.100000  
1 1 1 17 12 10  o 27.100  0.5158 -1.637000      1.032000  
1 1 1 17 12 11  o 12.360  0.7512 1.002000       1.502000  
1 1 1 17 12 12  o 11.940  0.5492 -0.7828000     1.098000  
1 1 1 17 12 13  o 23.560  0.5829 -1.195000      1.166000  
1 1 1 17 12 14  o 22.030  0.5100 -0.3585000     1.020000  
1 1 1 17 12 15  o 19.110  0.4778 -2.185000      0.9556000 
1 1 1 17 12 16  o 31.430  0.6494 -0.9681000     1.299000  
1 1 1 17 12 17  o 29.410  0.5446 -0.9970000E-01 1.089000  
1 1 1 17 12 18  f 6.3490  1.2660 -2.002000      2.532000  
1 1 1 17 12 19  o 12.860  0.5589 0.1899000      1.118000  
1 1 1 17 12 20  o 7.7550  0.9674 -1.187000      1.935000  
1 1 1 17 12 21  o 17.990  0.5454 2.373000       1.091000  
1 1 1 17 12 22  o 10.380  0.7178 -1.070000      1.436000  
1 1 1 17 12 23  o 12.310  0.6564 2.712000       1.313000  
1 1 1 17 12 24  o 9.7440  0.7691 -1.053000      1.538000  
1 1 1 17 12 25  o 17.660  0.5471 -1.896000      1.094000  
1 1 1 17 12 26  o 7.4770  0.9632 0.7918000      1.926000  
1 1 1 17 12 27  o 5.9690  1.1290 -0.4853000     2.257000  
1 1 1 17 12 28  o 7.7940  0.9592 0.1718000      1.918000  
1 1 1 17 12 29  o 15.490  0.5772 -0.6442000     1.154000  
1 1 1 17 12 30  o 12.160  0.6400 1.905000       1.280000  
1 1 1 17 12 31  f 18.890  0.5574 -1.562000      1.115000  
1 1 1 17 12 32  o 7.3220  1.0340 -2.888000      2.068000  
1 1 1 17 12 33  o 9.4730  0.7954 -0.3018000     1.591000  
1 1 1 17 12 34  o 6.7860  1.0740 -2.216000      2.147000  
1 1 1 17 12 35  o 9.4990  0.8222 1.561000       1.644000  
1 1 1 17 12 36  o 14.740  0.6178 -0.9469000     1.236000  
1 1 1 17 12 37  o 10.630  0.7807 -1.483000      1.561000  
1 1 1 17 12 38  o 5.4570  1.1460 3.155000       2.291000  
1 1 1 17 12 39  o 12.830  0.6723 0.9460000      1.345000  
1 1 1 17 12 40  f 7.8900  1.0180 2.532000       2.036000  
1 1 1 17 12 41  f 4.3480  1.2690 0.1848000      2.538000  
1 1 1 17 12 42  o 11.840  0.9814 -1.702000      1.963000  
1 1 1 17 12 43  f 18.010  0.7655 1.794000       1.531000  
1 1 1 17 12 44  o 13.680  0.9025 -1.812000      1.805000  
1 1 1 17 12 45  o 6.7960  1.3300 4.630000       2.659000  
1 1 1 17 12 46  o 8.5190  1.2750 2.591000       2.550000  
1 1 1 17 12 47  o 4.8010  1.3900 0.4698000      2.781000  
1 1 1 17 12 48  f 7.4720  1.3280 -3.604000      2.656000  
1 1 1 17 12 49  o 7.2600  1.4380 4.545000       2.877000  
1 1 1 17 12 50  o 7.3310  1.3900 -2.317000      2.781000  
1 1 1 17 12 51  o 5.6880  1.4060 -1.350000      2.812000  
1 1 1 17 12 52  o 6.2270  1.5050 2.709000       3.011000  
1 1 1 17 12 53  o 3.7890  1.2410 0.4871000      2.483000  
1 1 1 17 12 54  o 4.1230  1.3030 -0.1532000     2.607000  
1 1 1 17 12 55  o 4.2660  1.3710 1.137000       2.742000  
1 1 1 17 12 56  o 8.4110  1.4870 -0.2235000     2.974000  
1 1 1 17 12 57  o 4.9200  1.4200 -0.5541000     2.840000  
1 1 1 17 12 58  o 3.8010  1.2430 -0.3036000     2.486000  
1 1 1 17 12 59  o 4.8040  1.4360 0.7574000      2.872000  
1 1 1 17 12 60  o 3.9900  1.2910 0.1608000      2.582000  
1 1 1 17 12 61  o 4.7300  1.4140 0.1518000      2.829000  
1 1 1 17 12 62  o 4.3100  1.3910 1.071000       2.782000  
1 1 1 17 12 63  o 4.6130  1.5160 1.154000       3.031000  
1 1 1 17 12 64  o 3.5200  1.2310 0.2926000      2.461000  
1 1 1 17 12 65  o 4.1260  1.3780 0.1620000      2.756000  
1 1 1 17 12 66  o 3.7750  1.2880 0.7653000      2.576000  
1 1 1 17 12 67  o 5.1220  2.2550 ?              ?         
1 1 1 17 13 0   o 23.640  0.7584 0.000000       0.000000  
1 1 1 17 13 1   o 30.890  0.5002 -0.4049000     1.000000  
1 1 1 17 13 2   o 27.090  0.5110 -0.3493000     1.022000  
1 1 1 17 13 3   o 15.280  0.7904 1.555000       1.581000  
1 1 1 17 13 4   f 30.760  0.5916 0.5075000      1.183000  
1 1 1 17 13 5   o 31.200  0.5099 0.5724000      1.020000  
1 1 1 17 13 6   o 11.320  0.9634 5.118000       1.927000  
1 1 1 17 13 7   o 46.760  0.9737 ?              ?         
1 1 1 17 13 8   o 35.280  0.5996 1.280000       1.199000  
1 1 1 17 13 9   o 31.470  0.6336 2.132000       1.267000  
1 1 1 17 13 10  o 25.130  0.5834 0.7791000      1.167000  
1 1 1 17 13 11  o 11.130  0.9083 2.657000       1.817000  
1 1 1 17 13 12  o 18.070  0.4807 0.9370000      0.9613000 
1 1 1 17 13 13  f 11.020  0.9691 3.975000       1.938000  
1 1 1 17 13 14  o 16.750  0.4987 1.026000       0.9974000 
1 1 1 17 13 15  o 17.820  0.4964 -0.8684000     0.9928000 
1 1 1 17 13 16  o 10.060  1.0050 1.866000       2.011000  
1 1 1 17 13 17  o 17.670  0.5125 3.386000       1.025000  
1 1 1 17 13 18  o 27.320  0.5208 0.6142000      1.042000  
1 1 1 17 13 19  o 8.5370  1.0670 ?              ?         
1 1 1 17 13 20  o 23.680  0.5027 0.2993000      1.005000  
1 1 1 17 13 21  o 19.960  0.5346 -0.5984000     1.069000  
1 1 1 17 13 22  o 13.960  0.6119 -1.937000      1.224000  
1 1 1 17 13 23  o 24.470  0.6404 -1.531000      1.281000  
1 1 1 17 13 24  o 10.660  1.0960 -4.335000      2.191000  
1 1 1 17 13 25  o 11.930  0.6677 -0.9556000     1.335000  
1 1 1 17 13 26  o 7.5700  0.9784 -1.299000      1.957000  
1 1 1 17 13 27  o 12.300  0.6680 -3.586000      1.336000  
1 1 1 17 13 28  f 3.9400  1.1330 -0.1896000     2.266000  
1 1 1 17 13 29  o 10.400  0.7398 -0.7543000     1.480000  
1 1 1 17 13 30  o 3.8590  1.1250 0.2355000      2.251000  
1 1 1 17 13 31  o 12.560  0.6531 -1.196000      1.306000  
1 1 1 17 13 32  o 10.640  0.7439 -0.1136000     1.488000  
1 1 1 17 13 33  o 20.710  0.5804 1.027000       1.161000  
1 1 1 17 13 34  o 16.300  0.8037 ?              ?         
1 1 1 17 13 35  o 16.840  0.6077 0.9045000E-02  1.215000  
1 1 1 17 13 36  o 15.900  0.6048 0.2464000      1.210000  
1 1 1 17 13 37  o 5.8450  1.1600 -2.191000      2.320000  
1 1 1 17 13 38  o 4.3830  1.1710 2.389000       2.341000  
1 1 1 17 13 39  o 15.990  0.6516 0.6469000E-02  1.303000  
1 1 1 17 13 40  o 10.070  0.8638 2.050000       1.728000  
1 1 1 17 13 41  o 5.1810  1.2740 0.2451000      2.548000  
1 1 1 17 13 42  o 4.4080  1.1310 -2.786000      2.262000  
1 1 1 17 13 43  o 4.9910  1.2660 0.1061000      2.531000  
1 1 1 17 13 44  o 4.0860  1.1800 -0.6479000     2.359000  
1 1 1 17 13 45  o 3.8890  1.2370 0.7780000      2.474000  
1 1 1 17 13 46  o 13.520  0.9421 -0.2124000     1.884000  
1 1 1 17 13 47  o 9.9970  1.1740 1.898000       2.348000  
1 1 1 17 13 48  o 3.9190  1.2610 0.5932000      2.521000  
1 1 1 17 13 49  o 7.9840  1.3980 3.525000       2.796000  
1 1 1 17 13 50  o 5.3620  1.4590 0.4308000      2.917000  
1 1 1 17 13 51  o 7.3500  1.3620 -3.282000      2.724000  
1 1 1 17 13 52  o 5.9640  1.4840 -0.9178000E-01 2.968000  
1 1 1 17 13 53  o 8.4760  1.4010 -0.2040000     2.803000  
1 1 1 17 13 54  o 5.9410  1.4860 2.923000       2.973000  
1 1 1 17 13 55  o 4.5970  1.3310 -1.037000      2.662000  
1 1 1 17 13 56  o 3.3390  1.1240 -0.2917000     2.247000  
1 1 1 17 13 57  o 5.2350  1.4940 2.285000       2.988000  
1 1 1 17 13 58  o 6.3270  1.4490 -2.019000      2.898000  
1 1 1 17 13 59  o 6.4610  1.5150 -1.465000      3.030000  
1 1 1 17 13 60  f 4.0810  1.3070 0.5116000      2.614000  
1 1 1 17 13 61  o 9.9290  1.3830 -0.4822000     2.765000  
1 1 1 17 13 62  o 4.9650  1.4650 -0.2554000     2.930000  
1 1 1 17 13 63  o 3.5250  1.1960 0.4264000      2.393000  
1 1 1 17 13 64  o 3.2120  1.1240 0.8051000      2.248000  
1 1 1 17 13 65  o 4.3420  2.0460 ?              ?         
1 1 1 17 14 0   o 21.020  0.7640 -0.000000      0.000000  
1 1 1 17 14 1   o 35.220  0.5532 -1.144000      1.106000  
1 1 1 17 14 2   o 20.660  0.6065 5.641000       1.213000  
1 1 1 17 14 3   o 32.850  0.5761 0.8941000      1.152000  
1 1 1 17 14 4   o 27.370  0.7011 -7.340000      1.402000  
1 1 1 17 14 5   o 41.910  0.6335 -1.417000      1.267000  
1 1 1 17 14 6   o 23.470  0.5205 3.348000       1.041000  
1 1 1 17 14 7   o 14.420  0.5700 1.521000       1.140000  
1 1 1 17 14 8   o 9.1740  0.7296 -2.109000      1.459000  
1 1 1 17 14 9   o 6.0170  1.0600 0.7958000E-01  2.119000  
1 1 1 17 14 10  o 14.030  0.5742 2.289000       1.148000  
1 1 1 17 14 11  o 27.120  0.5127 -0.5364000     1.025000  
1 1 1 17 14 12  o 11.370  1.0520 7.370000       2.104000  
1 1 1 17 14 13  o 18.860  0.4943 -0.6096000     0.9885000 
1 1 1 17 14 14  o 17.150  0.5059 -0.2007000     1.012000  
1 1 1 17 14 15  o 20.110  0.4944 0.5539000      0.9889000 
1 1 1 17 14 16  o 20.710  0.4965 -0.5641000     0.9931000 
1 1 1 17 14 17  o 15.950  0.5279 1.235000       1.056000  
1 1 1 17 14 18  f 24.640  0.5089 0.6638000      1.018000  
1 1 1 17 14 19  o 27.960  0.5363 -3.496000      1.073000  
1 1 1 17 14 20  o 23.010  0.5095 2.316000       1.019000  
1 1 1 17 14 21  o 23.340  0.5059 -3.282000      1.012000  
1 1 1 17 14 22  o 21.230  0.5015 2.013000       1.003000  
1 1 1 17 14 23  o 9.0770  1.0330 2.130000       2.066000  
1 1 1 17 14 24  o 10.610  0.7452 -1.293000      1.490000  
1 1 1 17 14 25  o 15.550  0.5993 -0.2305000     1.199000  
1 1 1 17 14 26  o 14.430  0.6058 -0.9314000     1.212000  
1 1 1 17 14 27  o 18.380  0.5670 1.454000       1.134000  
1 1 1 17 14 28  o 18.830  0.5680 1.231000       1.136000  
1 1 1 17 14 29  o 20.490  0.5743 -1.385000      1.149000  
1 1 1 17 14 30  o 18.860  0.5834 -1.302000      1.167000  
1 1 1 17 14 31  o 10.070  0.8048 0.4883000      1.610000  
1 1 1 17 14 32  o 12.690  0.7013 -1.074000      1.403000  
1 1 1 17 14 33  f 10.890  0.7967 -0.8734000     1.593000  
1 1 1 17 14 34  o 12.340  0.7123 -1.604000      1.425000  
1 1 1 17 14 35  o 6.9100  1.1400 2.416000       2.280000  
1 1 1 17 14 36  o 6.1910  1.2390 0.8298000      2.477000  
1 1 1 17 14 37  o 11.950  0.7873 -2.749000      1.575000  
1 1 1 17 14 38  o 9.5000  0.9388 -0.9837000     1.878000  
1 1 1 17 14 39  o 4.8020  1.2700 0.8071000      2.540000  
1 1 1 17 14 40  o 6.8300  1.2340 0.4005000      2.468000  
1 1 1 17 14 41  o 11.790  0.7852 0.1728000      1.570000  
1 1 1 17 14 42  o 4.8180  1.2600 1.705000       2.520000  
1 1 1 17 14 43  o 7.2050  1.2020 -0.7739000     2.404000  
1 1 1 17 14 44  o 6.8740  1.2620 0.5331000      2.525000  
1 1 1 17 14 45  o 11.200  0.8552 1.470000       1.710000  
1 1 1 17 14 46  o 3.9160  1.2040 0.2586000      2.407000  
1 1 1 17 14 47  o 4.4150  1.2690 -0.2885000     2.538000  
1 1 1 17 14 48  o 11.790  0.8257 0.7022000      1.651000  
1 1 1 17 14 49  f 5.4580  1.4780 2.465000       2.956000  
1 1 1 17 14 50  o 11.850  1.0910 -0.9798000     2.183000  
1 1 1 17 14 51  o 10.640  1.1660 3.028000       2.332000  
1 1 1 17 14 52  o 7.3630  1.5140 1.079000       3.028000  
1 1 1 17 14 53  o 5.4930  1.4760 1.236000       2.951000  
1 1 1 17 14 54  o 3.8790  1.2520 0.3532000      2.505000  
1 1 1 17 14 55  f 7.9600  1.4860 1.319000       2.972000  
1 1 1 17 14 56  o 4.9340  1.4540 0.8646000      2.908000  
1 1 1 17 14 57  o 6.7730  1.5520 -0.5193000E-01 3.104000  
1 1 1 17 14 58  o 6.2120  1.5520 -0.4077000     3.103000  
1 1 1 17 14 59  o 4.8050  1.4530 2.550000       2.907000  
1 1 1 17 14 60  o 4.0370  1.2970 -0.5470000E-01 2.594000  
1 1 1 17 14 61  o 4.6440  1.4370 2.412000       2.873000  
1 1 1 17 14 62  o 5.4480  1.4900 -0.5878000     2.981000  
1 1 1 17 14 63  o 5.2930  2.2800 ?              ?         
1 1 1 17 15 0   o 19.630  0.6631 -0.000000      0.000000  
1 1 1 17 15 1   o 15.000  0.5121 1.411000       1.024000  
1 1 1 17 15 2   o 16.440  0.7921 -10.57000      1.584000  
1 1 1 17 15 3   o 36.530  0.6657 -0.2789000     1.331000  
1 1 1 17 15 4   f 15.770  0.5981 5.273000       1.196000  
1 1 1 17 15 5   o 23.760  0.4671 -1.002000      0.9342000 
1 1 1 17 15 6   o 9.4810  0.9094 4.695000       1.819000  
1 1 1 17 15 7   o 14.020  0.5187 -1.639000      1.037000  
1 1 1 17 15 8   o 12.380  0.6260 -3.558000      1.252000  
1 1 1 17 15 9   o 36.880  0.6219 -2.631000      1.244000  
1 1 1 17 15 10  o 14.660  0.9944 12.46000       1.989000  
1 1 1 17 15 11  f 19.240  0.5052 0.6336000E-02  1.010000  
1 1 1 17 15 12  o 13.350  0.5861 -0.4744000     1.172000  
1 1 1 17 15 13  o 19.210  0.5029 0.8644000      1.006000  
1 1 1 17 15 14  o 14.130  0.5663 -1.981000      1.133000  
1 1 1 17 15 15  o 5.8260  1.1050 -3.275000      2.209000  
1 1 1 17 15 16  o 3.6800  1.0870 -0.2377000     2.175000  
1 1 1 17 15 17  o 4.0530  1.0900 0.9042000      2.179000  
1 1 1 17 15 18  o 12.290  0.6410 0.8736000      1.282000  
1 1 1 17 15 19  o 5.8170  1.1370 -0.9105000     2.274000  
1 1 1 17 15 20  o 9.9550  0.7289 -0.6769000     1.458000  
1 1 1 17 15 21  o 11.140  0.6752 -2.445000      1.350000  
1 1 1 17 15 22  o 12.830  0.6197 1.179000       1.239000  
1 1 1 17 15 23  o 13.870  0.5688 -0.5184000     1.138000  
1 1 1 17 15 24  o 15.320  0.6052 -0.8751000E-01 1.210000  
1 1 1 17 15 25  o 14.130  0.6525 -1.252000      1.305000  
1 1 1 17 15 26  o 10.880  0.8051 -2.285000      1.610000  
1 1 1 17 15 27  o 3.8820  1.1580 0.8703000E-01  2.316000  
1 1 1 17 15 28  o 5.0130  1.2570 0.3363000      2.514000  
1 1 1 17 15 29  o 11.410  0.7831 -1.030000      1.566000  
1 1 1 17 15 30  o 7.5990  1.1490 -0.6133000     2.299000  
1 1 1 17 15 31  o 5.5270  1.2600 -1.226000      2.520000  
1 1 1 17 15 32  o 6.1740  1.2100 -2.079000      2.420000  
1 1 1 17 15 33  o 3.5300  1.1050 0.9917000      2.210000  
1 1 1 17 15 34  o 11.000  0.8141 -1.657000      1.628000  
1 1 1 17 15 35  o 4.0590  1.1870 1.038000       2.374000  
1 1 1 17 15 36  o 7.8590  1.0840 0.7973000      2.168000  
1 1 1 17 15 37  o 4.8710  1.2460 1.031000       2.492000  
1 1 1 17 15 38  o 4.5550  1.1590 -2.304000      2.317000  
1 1 1 17 15 39  o 3.8430  1.1440 -1.070000      2.288000  
1 1 1 17 15 40  o 9.4650  0.9692 0.2867000      1.938000  
1 1 1 17 15 41  o 12.310  0.7941 -0.7944000     1.588000  
1 1 1 17 15 42  o 5.1680  1.2710 -1.546000      2.543000  
1 1 1 17 15 43  o 9.1890  1.0310 2.278000       2.063000  
1 1 1 17 15 44  o 9.0350  1.0620 0.2139000E-01  2.124000  
1 1 1 17 15 45  o 4.7650  1.2980 0.5227000      2.596000  
1 1 1 17 15 46  o 9.6710  1.0050 -0.2322000     2.011000  
1 1 1 17 15 47  o 9.4720  1.0040 -0.1322000     2.007000  
1 1 1 17 15 48  o 3.4830  1.1280 -0.4988000     2.256000  
1 1 1 17 15 49  o 10.810  0.9398 -1.185000      1.880000  
1 1 1 17 15 50  f 7.4330  1.2810 2.762000       2.562000  
1 1 1 17 15 51  f 13.700  0.8010 0.2114000      1.602000  
1 1 1 17 15 52  o 3.4250  1.1180 0.9956000E-01  2.236000  
1 1 1 17 15 53  o 8.2100  1.4310 -2.511000      2.862000  
1 1 1 17 15 54  o 6.2420  1.5010 -1.287000      3.002000  
1 1 1 17 15 55  o 9.1940  1.4070 0.5993000      2.814000  
1 1 1 17 15 56  o 8.6000  1.4800 0.7310000      2.960000  
1 1 1 17 15 57  o 6.5840  1.5230 -0.6764000     3.047000  
1 1 1 17 15 58  o 4.8240  1.4280 -0.1528000E-01 2.855000  
1 1 1 17 15 59  o 5.2250  1.4170 -1.326000      2.835000  
1 1 1 17 15 60  o 5.3120  1.4780 -0.4085000     2.957000  
1 1 1 17 16 0   o 13.880  0.7185 0.000000       0.000000  
1 1 1 17 16 1   f 9.4870  0.7001 1.740000       1.400000  
1 1 1 17 16 2   o 14.780  0.5009 -1.006000      1.002000  
1 1 1 17 16 3   o 21.430  0.4634 0.3072000E-01  0.9269000 
1 1 1 17 16 4   o 11.850  0.6461 2.085000       1.292000  
1 1 1 17 16 5   o 18.900  0.4602 0.9637000      0.9204000 
1 1 1 17 16 6   o 16.420  0.4950 -0.4133000     0.9899000 
1 1 1 17 16 7   o 27.310  0.4850 -0.2556000     0.9700000 
1 1 1 17 16 8   f 12.400  0.6632 3.218000       1.326000  
1 1 1 17 16 9   f 13.480  0.5257 0.8316000      1.051000  
1 1 1 17 16 10  o 11.700  0.5736 0.6762000      1.147000  
1 1 1 17 16 11  o 8.6390  0.8383 0.7174000      1.677000  
1 1 1 17 16 12  o 13.740  0.5738 0.7394000      1.148000  
1 1 1 17 16 13  o 19.870  0.5081 0.7089000      1.016000  
1 1 1 17 16 14  o 7.4660  1.0900 5.064000       2.180000  
1 1 1 17 16 15  o 17.230  0.6108 -2.446000      1.222000  
1 1 1 17 16 16  o 17.490  0.5380 2.029000       1.076000  
1 1 1 17 16 17  o 11.150  0.7131 -0.2963000     1.426000  
1 1 1 17 16 18  o 17.350  0.5424 1.775000       1.085000  
1 1 1 17 16 19  o 10.710  0.8758 0.3055000      1.752000  
1 1 1 17 16 20  o 7.2020  1.0140 -0.9773000     2.028000  
1 1 1 17 16 21  o 12.960  0.6573 2.421000       1.315000  
1 1 1 17 16 22  f 14.560  0.5839 -0.4574000     1.168000  
1 1 1 17 16 23  o 6.3630  1.0930 -2.610000      2.185000  
1 1 1 17 16 24  o 17.120  0.5399 0.9032000      1.080000  
1 1 1 17 16 25  o 12.300  0.6441 -3.189000      1.288000  
1 1 1 17 16 26  o 6.1720  1.2400 -1.280000      2.480000  
1 1 1 17 16 27  o 7.1710  1.1350 2.705000       2.270000  
1 1 1 17 16 28  o 7.1330  1.1600 -0.5466000     2.320000  
1 1 1 17 16 29  o 5.0070  1.2650 0.1995000      2.531000  
1 1 1 17 16 30  o 7.7500  1.1040 0.9373000      2.209000  
1 1 1 17 16 31  o 5.1920  1.2560 -1.032000      2.511000  
1 1 1 17 16 32  o 7.0470  1.1650 -2.012000      2.330000  
1 1 1 17 16 33  o 5.0260  1.2450 1.788000       2.490000  
1 1 1 17 16 34  o 4.5150  1.2450 -0.9718000E-01 2.491000  
1 1 1 17 16 35  o 4.1340  1.2100 0.5070000      2.420000  
1 1 1 17 16 36  o 6.3100  1.2440 -1.190000      2.488000  
1 1 1 17 16 37  o 3.2290  1.0630 0.5831000E-01  2.127000  
1 1 1 17 16 38  o 4.4880  1.2510 0.7907000E-01  2.501000  
1 1 1 17 16 39  o 4.4170  1.2140 -1.439000      2.428000  
1 1 1 17 16 40  o 4.5380  1.2480 0.8305000      2.496000  
1 1 1 17 16 41  o 5.4050  1.2650 -1.794000      2.530000  
1 1 1 17 16 42  o 5.0020  1.2990 0.4978000      2.598000  
1 1 1 17 16 43  o 5.3590  1.2890 -1.632000      2.578000  
1 1 1 17 16 44  o 7.9510  1.1470 -0.7618000     2.294000  
1 1 1 17 16 45  o 3.2660  1.0620 0.9386000      2.124000  
1 1 1 17 16 46  o 3.6160  1.1450 -0.7983000     2.290000  
1 1 1 17 16 47  o 9.3830  1.0470 0.9799000      2.093000  
1 1 1 17 16 48  o 6.1150  1.3610 0.3337000      2.722000  
1 1 1 17 16 49  o 8.7380  1.1060 0.6804000      2.212000  
1 1 1 17 16 50  o 5.1800  1.3430 0.3039000      2.685000  
1 1 1 17 16 51  o 8.2300  1.1890 -0.7085000     2.379000  
1 1 1 17 16 52  o 4.0510  1.2390 0.7697000      2.479000  
1 1 1 17 16 53  o 9.5610  1.1230 2.992000       2.245000  
1 1 1 17 16 54  o 4.9040  1.3630 2.171000       2.726000  
1 1 1 17 16 55  o 9.5140  1.1570 0.4322000      2.314000  
1 1 1 17 16 56  o 3.5590  1.1700 1.074000       2.340000  
1 1 1 17 16 57  o 4.0230  1.2400 -0.3080000     2.480000  
1 1 1 17 17 0   o 9.6240  1.1780 0.000000       0.000000  
1 1 1 17 17 1   o 19.850  0.4586 0.5588000E-01  0.9173000 
1 1 1 17 17 2   f 15.580  0.4917 1.236000       0.9834000 
1 1 1 17 17 3   o 9.8890  0.7514 1.410000       1.503000  
1 1 1 17 17 4   o 8.7240  0.8276 -4.353000      1.655000  
1 1 1 17 17 5   o 9.2130  0.6949 -0.4666000     1.390000  
1 1 1 17 17 6   o 11.570  0.5791 0.6858000      1.158000  
1 1 1 17 17 7   o 9.2880  0.7097 0.8839000      1.419000  
1 1 1 17 17 8   f 11.380  0.5911 -0.2929000     1.182000  
1 1 1 17 17 9   o 18.090  0.5183 0.2600000      1.037000  
1 1 1 17 17 10  o 18.750  0.5548 2.229000       1.110000  
1 1 1 17 17 11  o 23.910  0.4713 0.5519000E-01  0.9426000 
1 1 1 17 17 12  o 12.600  0.6227 3.000000       1.245000  
1 1 1 17 17 13  o 14.110  0.5963 1.203000       1.193000  
1 1 1 17 17 14  o 17.580  0.5245 -0.5758000E-01 1.049000  
1 1 1 17 17 15  o 7.1200  1.1970 2.188000       2.393000  
1 1 1 17 17 16  o 6.0590  1.1590 -0.8228000     2.318000  
1 1 1 17 17 17  o 12.160  0.6627 0.5507000      1.325000  
1 1 1 17 17 18  o 9.4730  0.7898 -0.2299000     1.580000  
1 1 1 17 17 19  o 9.5070  0.8160 0.9912000      1.632000  
1 1 1 17 17 20  o 5.5080  1.1910 -1.539000      2.382000  
1 1 1 17 17 21  o 12.420  0.7792 -0.6475000     1.558000  
1 1 1 17 17 22  o 9.6230  0.7969 -2.303000      1.594000  
1 1 1 17 17 23  o 12.390  0.6396 -1.340000      1.279000  
1 1 1 17 17 24  o 6.2420  1.1580 -1.023000      2.315000  
1 1 1 17 17 25  o 9.7750  0.7934 -1.045000      1.587000  
1 1 1 17 17 26  o 8.8190  0.9832 -0.9640000     1.966000  
1 1 1 17 17 27  o 3.6660  1.1390 -0.1164000     2.279000  
1 1 1 17 17 28  o 9.9370  0.9241 3.533000       1.848000  
1 1 1 17 17 29  o 6.1940  1.2700 -0.2449000     2.541000  
1 1 1 17 17 30  o 12.420  0.7455 -0.8793000     1.491000  
1 1 1 17 17 31  o 5.6650  1.2810 -1.015000      2.561000  
1 1 1 17 17 32  o 4.7520  1.2130 1.956000       2.427000  
1 1 1 17 17 33  f 5.1370  1.2630 -1.602000      2.526000  
1 1 1 17 17 34  o 6.9330  1.2420 0.1444000      2.485000  
1 1 1 17 17 35  o 3.5610  1.1320 -0.5655000     2.264000  
1 1 1 17 17 36  o 4.5620  1.2680 -0.2294000     2.536000  
1 1 1 17 17 37  o 4.0540  1.2100 0.4125000      2.419000  
1 1 1 17 17 38  o 5.8890  1.3040 1.279000       2.609000  
1 1 1 17 17 39  o 4.0720  1.1660 -2.306000      2.331000  
1 1 1 17 17 40  o 9.8440  0.9439 -1.931000      1.888000  
1 1 1 17 17 41  o 5.3670  1.2930 -1.346000      2.586000  
1 1 1 17 17 42  o 5.8500  1.2730 -2.209000      2.546000  
1 1 1 17 17 43  o 6.4550  1.3060 -0.3459000     2.612000  
1 1 1 17 17 44  o 6.5170  1.2390 -3.273000      2.478000  
1 1 1 17 17 45  o 5.7430  1.3170 0.2007000      2.633000  
1 1 1 17 17 46  o 9.4210  1.0330 1.222000       2.067000  
1 1 1 17 17 47  o 4.3160  1.2660 -0.3561000     2.532000  
1 1 1 17 17 48  o 4.0050  1.2200 -0.7132000     2.440000  
1 1 1 17 17 49  o 4.6160  1.2750 1.588000       2.550000  
1 1 1 17 17 50  o 3.9750  1.2270 0.8052000E-01  2.454000  
1 1 1 17 17 51  o 5.1090  1.3530 0.1381000      2.705000  
1 1 1 17 17 52  o 3.7580  1.1820 -0.8960000E-01 2.364000  
1 1 1 17 17 53  o 4.1860  1.2750 1.636000       2.550000  
1 1 1 17 17 54  o 3.4280  1.1190 -0.7445000     2.237000  
1 1 1 17 17 55  f 3.7010  1.6940 ?              ?         
1 1 1 17 17 56  o 3.8610  1.9290 ?              ?         
1 1 1 17 18 0   o 11.640  0.8669 0.000000       0.000000  
1 1 1 17 18 1   f 12.430  0.5584 0.8755000      1.117000  
1 1 1 17 18 2   o 11.630  0.5996 0.4265000      1.199000  
1 1 1 17 18 3   o 20.010  0.4653 0.8782000      0.9306000 
1 1 1 17 18 4   o 9.9210  0.8382 3.737000       1.676000  
1 1 1 17 18 5   o 14.390  0.5165 -1.461000      1.033000  
1 1 1 17 18 6   o 9.6010  0.7219 2.244000       1.444000  
1 1 1 17 18 7   o 5.0180  1.1720 -0.4880000     2.344000  
1 1 1 17 18 8   o 8.9050  0.8975 -4.878000      1.795000  
1 1 1 17 18 9   o 18.750  0.4720 -0.2901000     0.9439000 
1 1 1 17 18 10  o 16.010  0.5641 0.6621000      1.128000  
1 1 1 17 18 11  o 16.150  0.5592 0.2113000      1.118000  
1 1 1 17 18 12  o 14.390  0.5240 -0.6077000     1.048000  
1 1 1 17 18 13  o 7.1280  1.0470 4.985000       2.095000  
1 1 1 17 18 14  o 9.2360  0.7908 -0.6787000     1.582000  
1 1 1 17 18 15  o 4.5770  1.2000 0.7503000      2.401000  
1 1 1 17 18 16  o 8.0800  0.9544 -0.4573000     1.909000  
1 1 1 17 18 17  f 6.7110  1.0950 -0.2742000     2.190000  
1 1 1 17 18 18  f 8.7360  0.9207 1.852000       1.841000  
1 1 1 17 18 19  o 16.050  0.6580 -1.139000      1.316000  
1 1 1 17 18 20  o 7.0890  1.2240 1.572000       2.448000  
1 1 1 17 18 21  f 9.4740  0.8583 1.072000       1.717000  
1 1 1 17 18 22  o 6.5060  1.1350 -1.003000      2.270000  
1 1 1 17 18 23  o 7.8610  1.1460 0.4430000      2.293000  
1 1 1 17 18 24  o 7.2700  1.0810 2.669000       2.161000  
1 1 1 17 18 25  o 6.1490  1.1650 -1.373000      2.330000  
1 1 1 17 18 26  o 4.6100  1.1900 -1.045000      2.380000  
1 1 1 17 18 27  o 5.5190  1.2140 -0.6884000     2.427000  
1 1 1 17 18 28  o 9.7480  0.9045 0.8135000      1.809000  
1 1 1 17 18 29  o 5.3580  1.2720 -1.676000      2.543000  
1 1 1 17 18 30  o 5.3470  1.2830 -0.5289000     2.567000  
1 1 1 17 18 31  f 10.850  0.8207 -1.538000      1.641000  
1 1 1 17 18 32  o 4.5780  1.2480 0.6194000      2.496000  
1 1 1 17 18 33  o 10.940  0.8508 -0.1201000     1.702000  
1 1 1 17 18 34  o 5.8870  1.3000 1.407000       2.601000  
1 1 1 17 18 35  o 6.2360  1.2960 -0.6596000     2.591000  
1 1 1 17 18 36  f 4.1900  1.2060 1.626000       2.412000  
1 1 1 17 18 37  o 9.1540  1.0230 0.7479000      2.046000  
1 1 1 17 18 38  o 5.1690  1.3130 0.9885000      2.625000  
1 1 1 17 18 39  o 8.3220  1.1710 0.3737000      2.342000  
1 1 1 17 18 40  o 4.1660  1.2400 -1.015000      2.479000  
1 1 1 17 18 41  o 5.3930  1.2820 -2.864000      2.563000  
1 1 1 17 18 42  o 8.7630  1.1090 -2.252000      2.219000  
1 1 1 17 18 43  f 6.1690  1.3390 0.2497000      2.678000  
1 1 1 17 18 44  o 4.9880  1.3010 1.641000       2.602000  
1 1 1 17 18 45  o 3.8520  1.2080 0.4537000      2.416000  
1 1 1 17 18 46  o 4.2300  1.2740 -0.3585000     2.547000  
1 1 1 17 18 47  o 3.9650  1.2050 -1.310000      2.411000  
1 1 1 17 18 48  o 8.4620  1.1620 -0.3608000     2.323000  
1 1 1 17 18 49  o 3.2190  1.0670 -0.7861000     2.135000  
1 1 1 17 18 50  o 3.9100  1.2050 0.2330000      2.410000  
1 1 1 17 18 51  f 3.3710  1.1210 0.2711000      2.243000  
1 1 1 17 18 52  o 3.7330  1.6760 ?              ?         
1 1 1 17 18 53  o 3.1860  1.6320 ?              ?         
1 1 1 17 19 0   o 12.740  0.8193 -0.000000      0.000000  
1 1 1 17 19 1   o 13.310  0.5622 -0.1115000     1.124000  
1 1 1 17 19 2   o 9.5600  0.7349 -0.3482000     1.470000  
1 1 1 17 19 3   o 9.8270  0.7022 1.071000       1.404000  
1 1 1 17 19 4   o 9.1480  0.7389 0.4457000      1.478000  
1 1 1 17 19 5   o 12.310  0.5707 0.1382000      1.141000  
1 1 1 17 19 6   o 13.690  0.5975 0.2855000E-01  1.195000  
1 1 1 17 19 7   o 9.6920  0.7229 1.849000       1.446000  
1 1 1 17 19 8   o 7.0590  0.9453 2.675000       1.891000  
1 1 1 17 19 9   o 7.3340  1.0040 1.844000       2.008000  
1 1 1 17 19 10  o 16.290  0.4869 0.8543000      0.9738000 
1 1 1 17 19 11  o 9.4360  0.8699 1.669000       1.740000  
1 1 1 17 19 12  o 16.560  0.5358 -1.432000      1.072000  
1 1 1 17 19 13  o 7.3010  1.0100 4.189000       2.019000  
1 1 1 17 19 14  o 12.490  0.5864 1.855000       1.173000  
1 1 1 17 19 15  o 10.370  0.7571 1.186000       1.514000  
1 1 1 17 19 16  o 7.4790  1.0280 -0.9208000     2.057000  
1 1 1 17 19 17  o 13.380  0.6171 0.5520000      1.234000  
1 1 1 17 19 18  f 9.5340  1.0770 3.078000       2.153000  
1 1 1 17 19 19  o 8.6400  0.9220 0.5141000E-01  1.844000  
1 1 1 17 19 20  o 12.590  0.6531 -2.458000      1.306000  
1 1 1 17 19 21  f 9.8240  1.0110 2.360000       2.022000  
1 1 1 17 19 22  o 10.070  0.8046 1.355000       1.609000  
1 1 1 17 19 23  o 7.4120  1.0240 -0.1009000     2.048000  
1 1 1 17 19 24  o 4.2700  1.2010 0.3037000      2.402000  
1 1 1 17 19 25  o 7.5210  1.0320 -2.340000      2.064000  
1 1 1 17 19 26  o 4.8400  1.2050 0.1679000      2.410000  
1 1 1 17 19 27  o 11.320  0.8562 1.393000       1.712000  
1 1 1 17 19 28  o 4.5730  1.1760 -2.599000      2.352000  
1 1 1 17 19 29  o 6.5340  1.1670 0.1303000      2.334000  
1 1 1 17 19 30  o 7.7740  1.1620 -1.871000      2.324000  
1 1 1 17 19 31  o 5.1420  1.3230 -0.1490000     2.647000  
1 1 1 17 19 32  o 5.3550  1.3370 -0.2957000     2.674000  
1 1 1 17 19 33  o 3.9290  1.1940 0.9875000      2.389000  
1 1 1 17 19 34  f 4.4450  1.2850 -0.2645000     2.570000  
1 1 1 17 19 35  o 14.320  0.7455 1.612000       1.491000  
1 1 1 17 19 36  o 5.9700  1.3270 -3.392000      2.654000  
1 1 1 17 19 37  o 6.6310  1.3400 1.290000       2.681000  
1 1 1 17 19 38  o 3.6770  1.1640 0.5730000      2.329000  
1 1 1 17 19 39  o 4.4340  1.2760 0.6672000      2.552000  
1 1 1 17 19 40  o 3.9740  1.2220 -0.9326000     2.444000  
1 1 1 17 19 41  o 6.6360  1.2090 4.686000       2.419000  
1 1 1 17 19 42  o 6.1670  1.3890 0.8341000      2.778000  
1 1 1 17 19 43  o 3.6360  1.1530 1.493000       2.306000  
1 1 1 17 19 44  o 5.4700  1.3730 0.8951000      2.746000  
1 1 1 17 19 45  o 3.7060  1.1700 1.106000       2.339000  
1 1 1 17 19 46  o 3.0380  1.0270 -0.3162000     2.054000  
1 1 1 17 19 47  o 4.5550  1.3220 0.2178000      2.644000  
1 1 1 17 19 48  o 3.4620  1.1680 0.4730000      2.335000  
1 1 1 17 19 49  o 3.9370  1.8750 ?              ?         
1 1 1 17 20 0   o 12.150  1.0360 -0.000000      0.000000  
1 1 1 17 20 1   o 17.250  0.4966 0.8049000      0.9931000 
1 1 1 17 20 2   o 8.0010  1.0070 4.435000       2.014000  
1 1 1 17 20 3   o 5.3100  1.1060 -1.823000      2.211000  
1 1 1 17 20 4   o 6.7330  0.9837 -2.002000      1.967000  
1 1 1 17 20 5   o 9.3120  0.7419 -1.128000      1.484000  
1 1 1 17 20 6   o 15.870  0.5156 -0.1498000     1.031000  
1 1 1 17 20 7   o 14.970  0.5290 -0.1884000     1.058000  
1 1 1 17 20 8   o 15.670  0.5669 -0.4220000     1.134000  
1 1 1 17 20 9   o 7.0490  1.0610 3.484000       2.121000  
1 1 1 17 20 10  o 6.0310  1.0760 1.137000       2.152000  
1 1 1 17 20 11  o 10.240  0.6890 0.2297000      1.378000  
1 1 1 17 20 12  o 6.3360  1.0160 -2.372000      2.032000  
1 1 1 17 20 13  o 5.8080  1.1520 0.4041000      2.304000  
1 1 1 17 20 14  o 9.2040  0.7675 -0.1194000     1.535000  
1 1 1 17 20 15  o 13.580  0.5557 -1.296000      1.111000  
1 1 1 17 20 16  f 5.7640  1.0730 2.978000       2.145000  
1 1 1 17 20 17  o 7.1010  1.0340 0.2883000      2.068000  
1 1 1 17 20 18  o 6.0320  1.2120 1.269000       2.424000  
1 1 1 17 20 19  o 11.200  0.7242 1.438000       1.448000  
1 1 1 17 20 20  o 5.6880  1.1960 -0.4043000     2.391000  
1 1 1 17 20 21  o 10.730  0.9294 1.460000       1.859000  
1 1 1 17 20 22  o 10.730  0.7370 -1.527000      1.474000  
1 1 1 17 20 23  o 3.2510  1.0600 -0.2210000     2.121000  
1 1 1 17 20 24  o 5.8810  1.1420 2.130000       2.285000  
1 1 1 17 20 25  o 3.2290  0.9898 1.256000       1.980000  
1 1 1 17 20 26  o 5.0270  1.2000 -2.739000      2.400000  
1 1 1 17 20 27  f 4.4370  1.2150 -1.195000      2.430000  
1 1 1 17 20 28  f 5.7770  1.3050 0.2438000      2.609000  
1 1 1 17 20 29  o 6.6320  1.1990 1.008000       2.398000  
1 1 1 17 20 30  o 5.2510  1.2750 -1.163000      2.550000  
1 1 1 17 20 31  o 4.9920  1.3110 1.470000       2.622000  
1 1 1 17 20 32  o 9.4570  1.0280 -0.8659000     2.057000  
1 1 1 17 20 33  o 6.1950  1.2810 2.591000       2.563000  
1 1 1 17 20 34  o 4.8740  1.2700 2.004000       2.541000  
1 1 1 17 20 35  f 5.5120  1.3450 -1.044000      2.689000  
1 1 1 17 20 36  o 3.9710  1.2150 -1.059000      2.429000  
1 1 1 17 20 37  o 3.1550  1.0620 -0.5948000     2.125000  
1 1 1 17 20 38  o 4.8690  1.3470 0.4596000      2.694000  
1 1 1 17 20 39  o 4.8560  1.3400 -0.1415000     2.680000  
1 1 1 17 20 40  o 5.7220  1.3460 1.576000       2.693000  
1 1 1 17 20 41  o 4.3460  1.2280 -2.393000      2.456000  
1 1 1 17 20 42  o 6.2110  1.2820 -2.803000      2.564000  
1 1 1 17 20 43  o 6.2060  1.2950 -2.358000      2.590000  
1 1 1 17 20 44  o 3.5870  1.1530 -0.6060000     2.305000  
1 1 1 17 20 45  o 3.7740  1.6620 ?              ?         
1 1 1 17 21 0   o 12.590  0.8444 -0.000000      0.000000  
1 1 1 17 21 1   o 9.1220  0.8129 3.165000       1.626000  
1 1 1 17 21 2   o 9.5590  0.7383 0.6595000      1.477000  
1 1 1 17 21 3   o 9.2760  0.7798 -1.140000      1.560000  
1 1 1 17 21 4   o 15.060  0.5210 -0.4208000     1.042000  
1 1 1 17 21 5   f 12.610  0.5934 -0.2670000     1.187000  
1 1 1 17 21 6   o 13.850  0.5565 -0.1600000     1.113000  
1 1 1 17 21 7   o 6.6300  1.0450 3.685000       2.090000  
1 1 1 17 21 8   f 4.5190  1.1440 0.9874000      2.288000  
1 1 1 17 21 9   o 8.4310  0.8550 -0.3213000     1.710000  
1 1 1 17 21 10  o 12.950  0.5747 0.6813000      1.149000  
1 1 1 17 21 11  o 5.8580  1.1190 0.7597000      2.239000  
1 1 1 17 21 12  o 3.7030  1.1050 -0.1344000     2.211000  
1 1 1 17 21 13  o 9.7320  0.7146 -1.672000      1.429000  
1 1 1 17 21 14  o 10.530  0.7448 0.2192000      1.490000  
1 1 1 17 21 15  o 15.030  0.5455 1.225000       1.091000  
1 1 1 17 21 16  o 7.7760  1.0300 3.398000       2.059000  
1 1 1 17 21 17  o 6.3010  1.0180 -3.058000      2.037000  
1 1 1 17 21 18  o 6.3630  1.2440 0.7560000      2.487000  
1 1 1 17 21 19  o 5.1050  1.2130 -0.1751000     2.426000  
1 1 1 17 21 20  o 4.1050  1.2110 -2.143000      2.422000  
1 1 1 17 21 21  o 4.1560  1.1730 -0.6445000     2.347000  
1 1 1 17 21 22  o 5.2290  1.2400 0.8253000      2.480000  
1 1 1 17 21 23  o 4.1250  1.1380 1.001000       2.275000  
1 1 1 17 21 24  o 5.4360  1.2220 0.9262000E-01  2.445000  
1 1 1 17 21 25  f 4.3240  1.1720 0.8411000      2.343000  
1 1 1 17 21 26  o 6.7840  1.1580 -0.6737000     2.316000  
1 1 1 17 21 27  o 6.1600  1.2050 -0.7544000     2.411000  
1 1 1 17 21 28  o 6.1630  1.1960 -1.715000      2.393000  
1 1 1 17 21 29  o 5.6900  1.2330 -0.5017000     2.466000  
1 1 1 17 21 30  o 3.3470  1.0530 0.4507000      2.106000  
1 1 1 17 21 31  o 3.2310  1.0530 -0.3529000     2.105000  
1 1 1 17 21 32  f 6.6320  1.2850 -3.122000      2.569000  
1 1 1 17 21 33  f 9.9960  1.0400 -2.313000      2.080000  
1 1 1 17 21 34  o 5.2350  1.3630 -0.6037000     2.726000  
1 1 1 17 21 35  o 3.7590  1.1850 0.6732000      2.370000  
1 1 1 17 21 36  o 3.6560  1.1520 1.356000       2.305000  
1 1 1 17 21 37  o 3.9720  1.2230 -0.7004000     2.446000  
1 1 1 17 21 38  o 4.8680  1.3400 -0.9878000     2.680000  
1 1 1 17 21 39  o 4.0330  1.2430 0.6590000E-02  2.486000  
1 1 1 17 21 40  o 3.7400  1.6720 ?              ?         
1 1 1 17 21 41  o 3.6130  1.8070 ?              ?         
1 1 1 17 22 0   o 3.1920  1.8510 0.000000       0.000000  
1 1 1 17 22 1   o 7.2370  0.9932 0.8775000E-01  1.986000  
1 1 1 17 22 2   o 6.4310  1.0620 0.4703000      2.124000  
1 1 1 17 22 3   o 4.0720  1.1090 1.034000       2.218000  
1 1 1 17 22 4   o 8.2760  0.8495 0.5062000      1.699000  
1 1 1 17 22 5   o 9.4270  0.7575 0.5061000      1.515000  
1 1 1 17 22 6   o 9.8460  0.7194 -0.7218000     1.439000  
1 1 1 17 22 7   o 14.430  0.5413 -1.641000      1.083000  
1 1 1 17 22 8   o 7.7310  0.9094 -0.2687000     1.819000  
1 1 1 17 22 9   o 9.4600  0.7542 -0.2378000     1.508000  
1 1 1 17 22 10  o 9.7780  0.7298 1.147000       1.460000  
1 1 1 17 22 11  o 6.8830  1.0050 -0.7679000     2.010000  
1 1 1 17 22 12  o 9.6590  0.7946 -0.6378000     1.589000  
1 1 1 17 22 13  o 5.6050  1.1230 -1.440000      2.247000  
1 1 1 17 22 14  o 5.1150  1.1000 2.231000       2.200000  
1 1 1 17 22 15  o 5.0560  1.1110 -1.890000      2.223000  
1 1 1 17 22 16  o 3.0900  0.9983 0.3272000      1.997000  
1 1 1 17 22 17  o 4.5150  1.1320 -1.342000      2.265000  
1 1 1 17 22 18  o 5.1530  1.1590 -2.044000      2.319000  
1 1 1 17 22 19  o 3.6580  1.1080 0.9133000E-01  2.216000  
1 1 1 17 22 20  o 7.0740  1.2310 -0.9584000     2.462000  
1 1 1 17 22 21  o 4.5850  1.1920 0.4503000      2.384000  
1 1 1 17 22 22  o 3.3520  1.0910 -1.870000      2.182000  
1 1 1 17 22 23  o 3.9930  1.1390 -2.362000      2.278000  
1 1 1 17 22 24  o 3.4520  1.0950 -1.265000      2.190000  
1 1 1 17 22 25  o 5.2930  1.0640 3.524000       2.129000  
1 1 1 17 22 26  o 4.4130  1.2230 -1.017000      2.446000  
1 1 1 17 22 27  o 3.5990  1.1210 -0.8992000     2.243000  
1 1 1 17 22 28  o 5.1610  1.2260 1.038000       2.452000  
1 1 1 17 22 29  o 5.7110  1.2550 -1.135000      2.509000  
1 1 1 17 22 30  o 11.450  0.7698 0.2910000      1.540000  
1 1 1 17 22 31  o 3.9880  1.1890 -0.8965000     2.378000  
1 1 1 17 22 32  o 4.7520  1.1640 2.045000       2.327000  
1 1 1 17 22 33  o 4.7440  1.3130 -0.7280000     2.625000  
1 1 1 17 22 34  o 3.9830  1.2510 0.9199000      2.502000  
1 1 1 17 22 35  o 3.1560  1.5990 ?              ?         
1 1 1 17 23 0   o 4.7220  1.9670 -0.000000      0.000000  
1 1 1 17 23 1   o 7.9190  0.8995 -0.3685000     1.799000  
1 1 1 17 23 2   o 10.810  0.6780 -0.1379000     1.356000  
1 1 1 17 23 3   o 12.400  0.6092 0.1415000E-01  1.218000  
1 1 1 17 23 4   o 8.0800  0.8852 -0.8359000     1.770000  
1 1 1 17 23 5   o 12.380  0.6144 -1.238000      1.229000  
1 1 1 17 23 6   o 7.2690  0.9908 0.2441000      1.982000  
1 1 1 17 23 7   o 6.0520  1.0820 -1.684000      2.164000  
1 1 1 17 23 8   o 6.4090  1.0590 -1.943000      2.118000  
1 1 1 17 23 9   o 9.5370  0.7602 -0.7317000     1.520000  
1 1 1 17 23 10  o 6.8340  1.0350 2.186000       2.069000  
1 1 1 17 23 11  o 7.2080  0.9893 -0.6077000     1.979000  
1 1 1 17 23 12  o 9.0740  0.7915 -0.7600000     1.583000  
1 1 1 17 23 13  f 6.1000  1.1480 1.558000       2.296000  
1 1 1 17 23 14  o 8.6460  0.8416 -1.133000      1.683000  
1 1 1 17 23 15  o 6.8750  1.0770 -0.5057000     2.153000  
1 1 1 17 23 16  o 5.5650  1.0880 -2.646000      2.175000  
1 1 1 17 23 17  o 3.5670  1.0960 -0.5170000     2.192000  
1 1 1 17 23 18  o 3.1110  1.0150 -0.2262000     2.030000  
1 1 1 17 23 19  f 6.2330  1.1320 0.8231000      2.264000  
1 1 1 17 23 20  o 6.0140  1.2450 -1.011000      2.490000  
1 1 1 17 23 21  o 4.6240  1.2280 -1.572000      2.456000  
1 1 1 17 23 22  o 4.6800  1.2300 -1.103000      2.460000  
1 1 1 17 23 23  o 5.5520  1.2400 -0.1289000     2.480000  
1 1 1 17 23 24  o 5.7690  1.3200 -0.3492000     2.640000  
1 1 1 17 23 25  f 7.7730  1.0820 -1.159000      2.165000  
1 1 1 17 23 26  o 4.8900  1.2100 1.344000       2.420000  
1 1 1 17 23 27  o 5.5570  1.5770 -0.8255000     3.154000  
1 1 1 17 24 0   o 2.4760  1.6070 0.000000       0.000000  
1 1 1 17 24 1   o 6.1950  1.0740 -1.298000      2.147000  
1 1 1 17 24 2   f 4.9600  1.1050 -1.901000      2.209000  
1 1 1 17 24 3   o 7.0960  0.9789 1.279000       1.958000  
1 1 1 17 24 4   o 8.6930  0.8428 -0.6866000E-01 1.686000  
1 1 1 17 24 5   o 7.5840  0.9624 0.5567000      1.925000  
1 1 1 17 24 6   o 5.9790  1.0850 2.022000       2.170000  
1 1 1 17 24 7   o 5.0490  1.1350 1.036000       2.270000  
1 1 1 17 24 8   o 3.2330  1.0120 0.8754000      2.023000  
1 1 1 17 24 9   o 3.8970  1.1160 0.2098000      2.232000  
1 1 1 17 24 10  o 4.9600  1.1560 -1.084000      2.312000  
1 1 1 17 24 11  o 3.6970  1.0900 0.9103000      2.180000  
1 1 1 17 24 12  o 6.6660  1.0710 -0.1177000     2.141000  
1 1 1 17 24 13  f 3.9330  1.1210 0.5882000      2.242000  
1 1 1 17 24 14  o 2.8670  0.9646 -0.2530000     1.929000  
1 1 1 17 24 15  f 5.2700  1.3310 0.9197000      2.661000  
1 1 1 17 24 16  o 4.5980  1.3360 -0.7273000E-01 2.671000  
1 1 1 17 24 17  o 4.8940  2.1330 ?              ?         
1 1 1 18 0  0   o 14.240  0.8049 -0.000000      0.000000  
1 1 1 18 0  1   o 20.200  0.6385 -0.000000      0.000000  
1 1 1 18 0  2   o 15.570  0.5650 0.000000       0.000000  
1 1 1 18 0  3   o 36.430  1.0290 -0.000000      0.000000  
1 1 1 18 0  4   o 30.100  0.8654 0.000000       0.000000  
1 1 1 18 0  6   o 5.4750  1.3300 -0.000000      0.000000  
1 1 1 18 0  7   o 16.340  0.7675 0.000000       0.000000  
1 1 1 18 0  8   o 21.010  0.8945 0.000000       0.000000  
1 1 1 18 0  9   o 42.960  1.7190 0.000000       0.000000  
1 1 1 18 0  10  o 33.020  1.3390 0.000000       0.000000  
1 1 1 18 0  11  o 22.640  0.9762 0.000000       0.000000  
1 1 1 18 0  12  o 10.750  0.8587 0.000000       0.000000  
1 1 1 18 0  13  o 20.240  0.9086 0.000000       0.000000  
1 1 1 18 0  14  o 14.350  0.8985 0.000000       0.000000  
1 1 1 18 0  15  o 18.280  0.9029 0.000000       0.000000  
1 1 1 18 0  16  f 41.700  1.7160 0.000000       0.000000  
1 1 1 18 0  17  o 29.010  1.2410 0.000000       0.000000  
1 1 1 18 0  18  o 7.3020  1.7560 0.000000       0.000000  
1 1 1 18 0  19  o 25.850  1.1480 0.000000       0.000000  
1 1 1 18 0  26  o 2.3570  1.4100 0.000000       0.000000  
1 1 1 18 0  27  o 11.880  0.7514 0.000000       0.000000  
1 1 1 18 0  28  o 40.500  1.6330 0.000000       0.000000  
1 1 1 18 0  29  o 27.340  1.1220 0.000000       0.000000  
1 1 1 18 0  30  o 49.340  1.9890 0.000000       0.000000  
1 1 1 18 0  31  o 31.810  1.2970 0.000000       0.000000  
1 1 1 18 0  32  o 27.610  1.1520 0.000000       0.000000  
1 1 1 18 0  33  o 35.860  1.4620 0.000000       0.000000  
1 1 1 18 0  34  o 25.850  1.1130 0.000000       0.000000  
1 1 1 18 0  35  f 16.880  0.9282 0.000000       0.000000  
1 1 1 18 0  36  o 24.720  1.0940 0.000000       0.000000  
1 1 1 18 0  37  o 3.0790  1.8760 0.000000       0.000000  
1 1 1 18 0  38  o 8.3280  1.5690 0.000000       0.000000  
1 1 1 18 0  39  o 9.7090  1.3740 0.000000       0.000000  
1 1 1 18 0  40  o 4.3400  2.2830 0.000000       0.000000  
1 1 1 18 0  41  o 9.9180  1.5130 0.000000       0.000000  
1 1 1 18 0  42  o 4.5670  2.3920 0.000000       0.000000  
1 1 1 18 0  43  o 19.110  1.1620 0.000000       0.000000  
1 1 1 18 0  44  o 4.2070  2.3770 0.000000       0.000000  
1 1 1 18 0  45  o 28.470  1.3290 0.000000       0.000000  
1 1 1 18 0  46  o 18.950  1.2490 0.000000       0.000000  
1 1 1 18 0  47  o 16.740  1.2610 0.000000       0.000000  
1 1 1 18 0  48  o 8.8320  2.3230 0.000000       0.000000  
1 1 1 18 0  49  o 3.2120  2.1110 0.000000       0.000000  
1 1 1 18 0  50  o 14.760  1.4570 0.000000       0.000000  
1 1 1 18 0  51  o 9.7670  2.3390 0.000000       0.000000  
1 1 1 18 0  52  o 14.070  1.6240 0.000000       0.000000  
1 1 1 18 0  53  f 11.550  2.1390 0.000000       0.000000  
1 1 1 18 0  54  o 3.7640  2.4790 0.000000       0.000000  
1 1 1 18 0  55  o 3.3020  2.2630 0.000000       0.000000  
1 1 1 18 0  56  o 7.8050  3.2190 0.000000       0.000000  
1 1 1 18 0  57  o 3.5330  2.3660 0.000000       0.000000  
1 1 1 18 0  59  f 4.1360  2.6870 0.000000       0.000000  
1 1 1 18 0  60  o 4.4360  2.7970 0.000000       0.000000  
1 1 1 18 0  61  f 3.5080  2.3950 0.000000       0.000000  
1 1 1 18 0  62  o 4.2710  2.7370 0.000000       0.000000  
1 1 1 18 0  63  o 5.7750  3.2170 0.000000       0.000000  
1 1 1 18 0  64  o 4.9240  3.0360 0.000000       0.000000  
1 1 1 18 0  65  f 4.6570  2.9690 0.000000       0.000000  
1 1 1 18 0  66  o 10.290  3.5600 0.000000       0.000000  
1 1 1 18 0  67  o 3.4900  2.4480 0.000000       0.000000  
1 1 1 18 0  68  o 4.9070  3.1420 0.000000       0.000000  
1 1 1 18 0  69  f 4.8490  3.1030 0.000000       0.000000  
1 1 1 18 0  70  o 2.8530  2.0450 0.000000       0.000000  
1 1 1 18 0  71  o 3.5400  2.3990 0.000000       0.000000  
1 1 1 18 0  72  o 3.6790  2.4640 0.000000       0.000000  
1 1 1 18 1  0   o 22.950  0.6937 -0.000000      0.000000  
1 1 1 18 1  1   o 18.980  0.4335 0.4190000      0.8670000 
1 1 1 18 1  2   f 20.890  0.4599 -0.1549000     0.9198000 
1 1 1 18 1  3   o 22.280  0.4770 -0.5205000     0.9541000 
1 1 1 18 1  4   o 25.630  0.6473 1.390000       1.295000  
1 1 1 18 1  5   o 21.080  0.9170 ?              ?         
1 1 1 18 1  6   o 21.250  0.5591 1.141000       1.118000  
1 1 1 18 1  7   o 16.330  0.7951 ?              ?         
1 1 1 18 1  8   o 18.340  0.5791 -0.1128000E-01 1.158000  
1 1 1 18 1  9   o 49.340  1.4150 1.746000       2.830000  
1 1 1 18 1  10  o 29.510  1.2140 ?              ?         
1 1 1 18 1  11  o 20.860  0.9486 ?              ?         
1 1 1 18 1  12  o 26.890  1.1310 ?              ?         
1 1 1 18 1  13  o 31.560  1.3010 ?              ?         
1 1 1 18 1  14  o 28.800  1.2040 ?              ?         
1 1 1 18 1  15  o 33.220  1.3650 ?              ?         
1 1 1 18 1  16  o 20.990  0.9879 ?              ?         
1 1 1 18 1  18  o 14.830  0.9980 ?              ?         
1 1 1 18 1  19  o 15.860  1.0060 ?              ?         
1 1 1 18 1  20  o 13.970  1.1110 ?              ?         
1 1 1 18 1  21  o 18.260  1.0680 ?              ?         
1 1 1 18 1  22  o 16.040  0.6943 1.247000       1.389000  
1 1 1 18 1  23  o 14.650  0.7028 -1.454000      1.406000  
1 1 1 18 1  24  o 18.550  0.7100 -1.573000      1.420000  
1 1 1 18 1  25  o 10.550  1.0000 1.042000       2.000000  
1 1 1 18 1  26  o 24.540  0.8101 -2.245000      1.620000  
1 1 1 18 1  27  o 16.610  0.8813 5.175000       1.763000  
1 1 1 18 1  28  o 28.840  1.1790 ?              ?         
1 1 1 18 1  29  o 37.590  1.5440 ?              ?         
1 1 1 18 1  30  o 18.750  0.6081 3.046000       1.216000  
1 1 1 18 1  31  o 12.720  0.5810 -3.709000      1.162000  
1 1 1 18 1  32  o 34.580  1.0050 -0.6064000     2.010000  
1 1 1 18 1  33  f 22.440  0.7047 0.3388000      1.409000  
1 1 1 18 1  34  o 23.140  0.7297 0.4367000      1.459000  
1 1 1 18 1  35  o 20.510  0.6926 -0.5745000E-01 1.385000  
1 1 1 18 1  36  o 6.1110  1.1960 0.5435000      2.392000  
1 1 1 18 1  37  o 8.6090  0.9564 1.728000       1.913000  
1 1 1 18 1  38  o 5.4370  1.2350 1.948000       2.471000  
1 1 1 18 1  39  o 13.690  0.7755 1.742000       1.551000  
1 1 1 18 1  40  o 11.340  0.9026 -1.886000      1.805000  
1 1 1 18 1  41  o 11.720  0.9431 1.451000       1.886000  
1 1 1 18 1  42  o 17.880  0.8176 2.179000       1.635000  
1 1 1 18 1  43  o 6.1310  1.4390 1.573000       2.877000  
1 1 1 18 1  44  o 23.480  0.8602 -1.201000      1.720000  
1 1 1 18 1  45  o 17.530  0.8850 0.2488000      1.770000  
1 1 1 18 1  46  o 7.6280  1.4300 3.417000       2.861000  
1 1 1 18 1  47  o 18.170  0.9046 -0.1603000     1.809000  
1 1 1 18 1  48  o 10.440  1.2940 1.120000       2.589000  
1 1 1 18 1  49  o 19.390  0.9235 2.366000       1.847000  
1 1 1 18 1  50  o 6.8240  1.5270 2.527000       3.054000  
1 1 1 18 1  51  o 13.880  1.0880 0.2728000      2.176000  
1 1 1 18 1  52  o 7.7060  1.6200 2.907000       3.240000  
1 1 1 18 1  53  o 5.6190  2.3060 ?              ?         
1 1 1 18 1  54  o 6.9730  1.7750 -1.275000      3.551000  
1 1 1 18 1  55  o 5.6780  1.6790 -0.5640000     3.358000  
1 1 1 18 1  56  o 6.9560  1.8200 2.059000       3.640000  
1 1 1 18 1  57  o 4.2330  1.4420 -0.6827000     2.885000  
1 1 1 18 1  58  o 11.830  1.6770 -0.5227000     3.354000  
1 1 1 18 1  59  o 4.8440  1.5840 -1.021000      3.168000  
1 1 1 18 1  60  o 9.1410  1.9370 -1.688000      3.874000  
1 1 1 18 1  61  o 5.5160  1.7210 -0.9609000     3.441000  
1 1 1 18 1  62  o 5.6570  1.7080 1.904000       3.416000  
1 1 1 18 1  63  o 5.0140  2.3520 ?              ?         
1 1 1 18 1  64  o 5.6600  2.5500 ?              ?         
1 1 1 18 1  65  f 5.8690  1.8200 0.2974000      3.641000  
1 1 1 18 1  66  o 4.9300  1.6220 1.139000       3.243000  
1 1 1 18 1  67  o 4.4190  1.5140 -0.8080000     3.028000  
1 1 1 18 1  68  o 5.4250  1.7150 2.138000       3.430000  
1 1 1 18 1  69  o 4.6550  1.5700 0.8350000E-01  3.140000  
1 1 1 18 1  70  f 4.1520  1.4310 1.192000       2.863000  
1 1 1 18 1  71  f 3.9280  1.3570 0.1880000E-01  2.714000  
1 1 1 18 1  72  o 4.4970  1.5020 -0.7772000     3.005000  
1 1 1 18 2  0   o 8.5650  0.8590 -0.000000      0.000000  
1 1 1 18 2  1   o 41.230  0.7636 1.166000       1.527000  
1 1 1 18 2  2   o 16.840  0.5649 -12.21000      1.130000  
1 1 1 18 2  3   o 20.090  0.5335 -0.4040000     1.067000  
1 1 1 18 2  4   o 16.390  0.4935 -0.2373000     0.9869000 
1 1 1 18 2  5   o 24.340  0.5943 0.9916000      1.189000  
1 1 1 18 2  6   o 18.700  0.5850 -6.150000      1.170000  
1 1 1 18 2  7   o 20.680  0.5325 0.2526000      1.065000  
1 1 1 18 2  8   o 24.500  0.7480 3.955000       1.496000  
1 1 1 18 2  9   o 10.300  0.9196 -10.38000      1.839000  
1 1 1 18 2  10  o 17.260  0.6313 2.565000       1.263000  
1 1 1 18 2  11  o 21.430  0.9613 ?              ?         
1 1 1 18 2  12  o 12.890  0.9528 ?              ?         
1 1 1 18 2  13  o 31.220  1.2960 ?              ?         
1 1 1 18 2  14  o 28.120  1.1940 ?              ?         
1 1 1 18 2  15  o 25.650  1.1280 ?              ?         
1 1 1 18 2  16  o 13.000  1.0310 ?              ?         
1 1 1 18 2  17  o 20.440  1.0130 ?              ?         
1 1 1 18 2  18  o 21.720  1.0580 ?              ?         
1 1 1 18 2  19  o 11.680  0.7035 -2.057000      1.407000  
1 1 1 18 2  20  o 20.300  0.8973 ?              ?         
1 1 1 18 2  21  o 25.140  0.7922 1.415000       1.584000  
1 1 1 18 2  22  o 16.190  0.7117 1.515000       1.423000  
1 1 1 18 2  23  o 19.960  0.7360 0.6503000      1.472000  
1 1 1 18 2  24  f 11.110  0.9331 -0.5360000E-01 1.866000  
1 1 1 18 2  25  o 39.820  1.1720 -2.336000      2.343000  
1 1 1 18 2  26  o 20.170  0.8404 6.192000       1.681000  
1 1 1 18 2  27  o 27.280  0.8893 -0.1283000     1.779000  
1 1 1 18 2  28  o 24.980  0.8609 2.973000       1.722000  
1 1 1 18 2  29  o 17.990  0.8418 0.5835000      1.684000  
1 1 1 18 2  30  o 35.090  1.0780 0.1387000      2.156000  
1 1 1 18 2  31  o 13.220  1.3220 11.85000       2.644000  
1 1 1 18 2  32  o 16.190  0.8905 ?              ?         
1 1 1 18 2  33  o 12.650  0.6275 -1.578000      1.255000  
1 1 1 18 2  34  o 11.760  0.6565 0.1201000      1.313000  
1 1 1 18 2  35  o 17.020  0.6222 1.482000       1.244000  
1 1 1 18 2  36  o 15.120  0.6697 1.683000       1.339000  
1 1 1 18 2  37  o 9.9150  0.8823 -0.4147000     1.765000  
1 1 1 18 2  38  o 13.940  0.7585 0.4794000E-02  1.517000  
1 1 1 18 2  39  o 4.5280  1.2600 0.9816000      2.519000  
1 1 1 18 2  40  o 7.0110  1.3390 1.061000       2.678000  
1 1 1 18 2  41  f 10.410  1.0690 1.543000       2.139000  
1 1 1 18 2  42  o 14.900  0.8506 -0.8026000     1.701000  
1 1 1 18 2  43  o 14.400  0.9461 1.721000       1.892000  
1 1 1 18 2  44  o 9.5640  1.3170 5.230000       2.633000  
1 1 1 18 2  45  o 15.820  0.9286 -0.1933000E-01 1.857000  
1 1 1 18 2  46  o 10.790  1.2960 3.082000       2.592000  
1 1 1 18 2  47  o 5.8960  1.5310 1.328000       3.063000  
1 1 1 18 2  48  o 6.0420  1.4590 2.925000       2.918000  
1 1 1 18 2  49  o 11.610  1.6670 ?              ?         
1 1 1 18 2  50  o 6.5080  1.5880 2.372000       3.177000  
1 1 1 18 2  51  o 9.6680  1.5720 2.150000       3.144000  
1 1 1 18 2  52  o 4.9380  1.5380 -0.8088000E-01 3.075000  
1 1 1 18 2  53  o 7.2960  1.7760 -0.5984000     3.551000  
1 1 1 18 2  54  o 6.7250  1.7860 -0.5399000     3.572000  
1 1 1 18 2  55  o 6.1610  1.7800 -0.5201000     3.559000  
1 1 1 18 2  56  o 6.7480  1.8050 0.9641000      3.611000  
1 1 1 18 2  57  o 4.5920  1.5220 0.3533000      3.044000  
1 1 1 18 2  58  o 7.2800  1.7580 3.873000       3.516000  
1 1 1 18 2  59  f 5.5670  1.7290 0.2968000      3.458000  
1 1 1 18 2  60  o 5.2600  1.6630 0.7669000      3.326000  
1 1 1 18 2  61  o 7.3440  1.8700 2.477000       3.739000  
1 1 1 18 2  62  f 5.8130  1.8060 -1.015000      3.611000  
1 1 1 18 2  63  o 4.4000  1.4980 0.6187000      2.996000  
1 1 1 18 2  64  o 5.1380  1.6810 -2.056000      3.361000  
1 1 1 18 2  65  o 4.5640  1.5450 0.3436000      3.090000  
1 1 1 18 2  66  o 5.2240  1.6980 -1.482000      3.395000  
1 1 1 18 2  67  o 4.3720  1.4890 -0.9968000     2.979000  
1 1 1 18 2  68  o 4.1740  1.4330 0.3174000      2.866000  
1 1 1 18 2  69  o 4.2150  2.0740 ?              ?         
1 1 1 18 2  70  o 4.4270  1.4920 0.5770000      2.984000  
1 1 1 18 2  71  o 4.1530  1.4060 0.3528000      2.812000  
1 1 1 18 2  72  f 4.4150  1.4330 2.782000       2.865000  
1 1 1 18 3  0   o 18.390  0.7487 -0.000000      0.000000  
1 1 1 18 3  1   o 20.380  0.5188 -0.2530000     1.038000  
1 1 1 18 3  2   o 18.330  0.5081 0.7009000      1.016000  
1 1 1 18 3  3   o 26.720  0.5367 0.3956000E-01  1.073000  
1 1 1 18 3  4   f 17.750  0.5134 ?              ?         
1 1 1 18 3  5   o 18.870  0.4897 1.522000       0.9793000 
1 1 1 18 3  6   o 10.420  0.9970 ?              ?         
1 1 1 18 3  7   o 17.700  0.5989 1.990000       1.198000  
1 1 1 18 3  8   o 15.790  0.9039 ?              ?         
1 1 1 18 3  9   o 22.080  0.6558 -0.4586000     1.312000  
1 1 1 18 3  10  o 4.6920  1.7040 ?              ?         
1 1 1 18 3  11  o 8.0380  0.9121 1.935000       1.824000  
1 1 1 18 3  12  o 16.500  0.9804 ?              ?         
1 1 1 18 3  13  o 41.510  1.0640 1.486000       2.129000  
1 1 1 18 3  15  f 22.160  0.9429 ?              ?         
1 1 1 18 3  16  o 15.240  1.0020 ?              ?         
1 1 1 18 3  17  o 16.300  0.6606 0.4218000      1.321000  
1 1 1 18 3  18  o 15.640  0.6701 0.2194000      1.340000  
1 1 1 18 3  19  o 4.6250  1.1730 -2.451000      2.347000  
1 1 1 18 3  20  f 21.060  0.7230 1.440000       1.446000  
1 1 1 18 3  21  o 25.040  0.7962 2.207000       1.592000  
1 1 1 18 3  22  o 9.2470  0.9038 -2.191000      1.808000  
1 1 1 18 3  23  f 16.370  0.7537 0.3393000E-01  1.507000  
1 1 1 18 3  24  o 9.8640  0.9455 -1.293000      1.891000  
1 1 1 18 3  25  o 5.4250  1.2290 0.6772000      2.459000  
1 1 1 18 3  26  o 10.880  0.9227 -2.474000      1.845000  
1 1 1 18 3  27  o 18.840  0.8068 1.789000       1.614000  
1 1 1 18 3  28  o 19.700  0.8126 -0.3785000     1.625000  
1 1 1 18 3  29  f 18.140  0.8400 0.1039000E-01  1.680000  
1 1 1 18 3  30  f 10.390  1.1520 -2.504000      2.304000  
1 1 1 18 3  31  o 4.9600  1.3460 0.2358000      2.691000  
1 1 1 18 3  32  o 24.990  0.8987 -1.465000      1.797000  
1 1 1 18 3  33  f 11.740  1.3810 5.909000       2.762000  
1 1 1 18 3  34  o 14.440  0.6543 -2.377000      1.309000  
1 1 1 18 3  35  o 8.4350  0.9161 2.323000       1.832000  
1 1 1 18 3  36  o 12.070  0.7212 -1.261000      1.442000  
1 1 1 18 3  37  o 18.520  0.6616 1.236000       1.323000  
1 1 1 18 3  38  o 12.020  0.8215 3.227000       1.643000  
1 1 1 18 3  39  o 5.9150  1.2910 -1.530000      2.582000  
1 1 1 18 3  40  o 20.010  0.6995 -2.643000      1.399000  
1 1 1 18 3  41  o 18.440  0.7612 3.016000       1.522000  
1 1 1 18 3  42  o 7.9840  1.3110 1.420000       2.621000  
1 1 1 18 3  43  f 25.440  0.8901 -0.1369000     1.780000  
1 1 1 18 3  44  o 13.750  1.1860 ?              ?         
1 1 1 18 3  45  o 15.170  1.0470 2.458000       2.094000  
1 1 1 18 3  46  o 5.5700  1.5540 0.8260000      3.108000  
1 1 1 18 3  47  o 9.5180  1.5320 0.7263000      3.064000  
1 1 1 18 3  48  o 5.7430  1.6210 -1.742000      3.243000  
1 1 1 18 3  49  o 4.5250  1.4630 -1.834000      2.926000  
1 1 1 18 3  50  o 5.4140  1.5290 2.269000       3.058000  
1 1 1 18 3  51  o 5.8960  1.6410 1.015000       3.281000  
1 1 1 18 3  52  o 6.4990  1.7370 -0.1219000     3.474000  
1 1 1 18 3  53  o 5.5710  1.6590 0.5719000      3.318000  
1 1 1 18 3  54  o 13.890  1.5800 5.129000       3.161000  
1 1 1 18 3  55  f 9.6980  1.7220 4.731000       3.443000  
1 1 1 18 3  56  o 5.1080  1.6480 -1.893000      3.296000  
1 1 1 18 3  57  o 4.3930  1.4650 0.8220000E-01  2.930000  
1 1 1 18 3  58  o 6.6240  1.8430 0.4288000      3.687000  
1 1 1 18 3  59  o 5.9830  1.7960 -0.8259000     3.592000  
1 1 1 18 3  60  o 6.6000  1.8820 -0.6172000     3.764000  
1 1 1 18 3  61  o 5.7110  1.7840 -0.1328000     3.568000  
1 1 1 18 3  62  o 4.3070  1.4810 0.1044000      2.961000  
1 1 1 18 3  63  o 9.2900  2.0910 -1.684000      4.182000  
1 1 1 18 3  64  f 7.3760  1.9610 1.655000       3.923000  
1 1 1 18 3  65  o 4.8690  1.6330 -0.5153000     3.265000  
1 1 1 18 3  66  o 4.6790  1.5690 0.2839000      3.138000  
1 1 1 18 3  67  o 4.5560  1.5430 -0.1010000     3.085000  
1 1 1 18 3  68  o 3.6050  1.2820 -0.1668000     2.563000  
1 1 1 18 3  69  o 3.8390  1.3370 0.3934000E-01  2.674000  
1 1 1 18 3  70  o 3.9720  1.3590 0.3296000      2.718000  
1 1 1 18 3  71  o 3.9550  1.3270 -0.3502000     2.655000  
1 1 1 18 3  72  o 4.3460  2.0450 ?              ?         
1 1 1 18 4  0   o 29.100  0.8876 0.000000       0.000000  
1 1 1 18 4  1   f 29.810  0.7750 0.5255000      1.550000  
1 1 1 18 4  2   o 29.490  0.6401 1.006000       1.280000  
1 1 1 18 4  3   o 29.920  0.9245 ?              ?         
1 1 1 18 4  4   o 49.750  0.9177 -0.2411000     1.835000  
1 1 1 18 4  5   o 17.560  0.5631 ?              ?         
1 1 1 18 4  6   f 16.320  0.6139 -1.927000      1.228000  
1 1 1 18 4  7   o 12.660  0.6455 -2.036000      1.291000  
1 1 1 18 4  8   o 14.980  0.6090 -1.182000      1.218000  
1 1 1 18 4  9   o 15.900  0.6332 5.691000       1.266000  
1 1 1 18 4  10  o 33.750  0.8884 3.254000       1.777000  
1 1 1 18 4  11  o 39.240  1.0180 0.5613000      2.036000  
1 1 1 18 4  12  o 43.100  1.0930 0.1919000      2.185000  
1 1 1 18 4  13  o 37.880  0.9788 0.2120000      1.958000  
1 1 1 18 4  14  o 28.130  0.8515 ?              ?         
1 1 1 18 4  15  o 33.280  0.7278 2.041000       1.456000  
1 1 1 18 4  16  o 10.410  0.7768 ?              ?         
1 1 1 18 4  17  o 8.3990  0.9002 -0.5581000     1.800000  
1 1 1 18 4  18  o 22.450  0.6986 2.977000       1.397000  
1 1 1 18 4  19  o 17.640  0.6550 -0.7827000     1.310000  
1 1 1 18 4  20  o 7.6630  1.0370 -1.432000      2.074000  
1 1 1 18 4  21  o 22.400  0.6929 -1.232000      1.386000  
1 1 1 18 4  22  o 33.480  0.8921 -0.5385000     1.784000  
1 1 1 18 4  23  f 11.800  0.8507 1.978000       1.701000  
1 1 1 18 4  24  o 21.950  0.7117 -0.7982000     1.423000  
1 1 1 18 4  25  o 23.970  0.7653 1.501000       1.531000  
1 1 1 18 4  26  f 15.320  0.7781 1.997000       1.556000  
1 1 1 18 4  27  o 10.510  1.0290 0.8908000      2.059000  
1 1 1 18 4  28  o 12.610  0.8616 -1.453000      1.723000  
1 1 1 18 4  29  o 12.190  1.1000 4.921000       2.200000  
1 1 1 18 4  30  o 19.740  0.7768 -1.610000      1.554000  
1 1 1 18 4  31  f 9.1880  1.2860 3.863000       2.572000  
1 1 1 18 4  32  o 3.9090  1.2690 -1.477000      2.538000  
1 1 1 18 4  33  o 8.4100  0.7826 -1.424000      1.565000  
1 1 1 18 4  34  o 7.7630  0.7521 4.050000       1.504000  
1 1 1 18 4  35  o 4.5110  1.1780 -1.320000      2.355000  
1 1 1 18 4  36  o 18.060  0.6395 -0.3947000E-01 1.279000  
1 1 1 18 4  37  o 18.110  0.6774 3.648000       1.355000  
1 1 1 18 4  38  o 10.100  0.9228 0.9897000      1.846000  
1 1 1 18 4  39  o 22.020  0.7181 -0.4394000E-01 1.436000  
1 1 1 18 4  40  o 11.110  1.4530 9.312000       2.906000  
1 1 1 18 4  41  o 22.600  0.7473 -3.556000      1.495000  
1 1 1 18 4  42  o 7.6030  1.2520 5.873000       2.504000  
1 1 1 18 4  43  o 5.0150  1.4620 -0.2546000     2.924000  
1 1 1 18 4  44  o 9.5760  1.4020 2.262000       2.803000  
1 1 1 18 4  45  o 18.640  0.8844 2.554000       1.769000  
1 1 1 18 4  46  o 17.200  0.9098 2.687000       1.820000  
1 1 1 18 4  47  o 14.000  1.1630 6.350000       2.326000  
1 1 1 18 4  48  o 10.210  1.4000 -1.184000      2.799000  
1 1 1 18 4  49  o 5.3820  1.5650 0.6518000      3.131000  
1 1 1 18 4  50  o 8.6530  1.6580 2.324000       3.315000  
1 1 1 18 4  51  o 7.6050  1.7920 -0.2799000     3.583000  
1 1 1 18 4  52  o 6.1850  1.7230 1.114000       3.446000  
1 1 1 18 4  53  o 6.5530  1.8180 -1.016000      3.637000  
1 1 1 18 4  54  o 5.5790  1.6480 0.8640000      3.297000  
1 1 1 18 4  55  o 7.0590  1.8070 1.344000       3.614000  
1 1 1 18 4  56  o 8.6380  1.8400 2.773000       3.680000  
1 1 1 18 4  57  o 12.790  1.7400 4.773000       3.481000  
1 1 1 18 4  58  o 7.9390  1.9170 1.147000       3.833000  
1 1 1 18 4  59  o 9.0050  1.9600 1.507000       3.920000  
1 1 1 18 4  60  o 5.6090  1.7570 -0.6581000E-01 3.514000  
1 1 1 18 4  61  o 5.9820  1.8620 -2.202000      3.723000  
1 1 1 18 4  62  o 5.4430  1.7580 0.1813000      3.516000  
1 1 1 18 4  63  o 6.1650  1.8930 0.4377000      3.786000  
1 1 1 18 4  64  o 4.9360  1.6180 1.363000       3.235000  
1 1 1 18 4  65  o 6.2170  1.8720 1.079000       3.744000  
1 1 1 18 4  66  o 4.5200  1.5310 0.8502000      3.062000  
1 1 1 18 4  67  f 4.7100  1.5870 -0.6207000     3.174000  
1 1 1 18 4  68  o 4.6860  1.5640 -0.6080000     3.128000  
1 1 1 18 4  69  o 4.0510  1.3890 1.552000       2.778000  
1 1 1 18 4  70  o 3.7710  1.2910 0.7847000      2.582000  
1 1 1 18 4  71  o 4.4820  1.4050 -1.662000      2.811000  
1 1 1 18 4  72  f 3.3940  1.6990 ?              ?         
1 1 1 18 5  0   o 24.960  0.8071 -0.000000      0.000000  
1 1 1 18 5  1   o 23.250  0.7923 ?              ?         
1 1 1 18 5  2   o 62.770  1.5470 5.250000       3.095000  
1 1 1 18 5  4   o 27.770  0.6045 -1.965000      1.209000  
1 1 1 18 5  6   o 17.930  0.6372 5.711000       1.274000  
1 1 1 18 5  7   o 35.910  1.4900 ?              ?         
1 1 1 18 5  8   o 23.780  0.6968 -0.8491000     1.394000  
1 1 1 18 5  9   o 38.960  0.9983 1.498000       1.997000  
1 1 1 18 5  10  o 26.520  0.7578 2.294000       1.516000  
1 1 1 18 5  11  f 51.730  1.3060 0.7888000      2.611000  
1 1 1 18 5  12  o 31.230  0.6900 -1.320000      1.380000  
1 1 1 18 5  13  o 28.670  0.8661 ?              ?         
1 1 1 18 5  14  o 20.790  0.7161 ?              ?         
1 1 1 18 5  15  o 33.980  0.9911 ?              ?         
1 1 1 18 5  16  o 8.5180  0.9093 ?              ?         
1 1 1 18 5  17  o 30.350  0.6881 2.949000       1.376000  
1 1 1 18 5  18  f 23.300  0.6145 1.461000       1.229000  
1 1 1 18 5  19  o 33.220  0.8778 -2.144000      1.756000  
1 1 1 18 5  20  o 35.930  0.9336 -0.2216000     1.867000  
1 1 1 18 5  21  o 15.730  0.8643 ?              ?         
1 1 1 18 5  22  o 9.2280  0.9822 -0.6173000     1.964000  
1 1 1 18 5  23  o 5.4520  1.2570 -3.510000      2.514000  
1 1 1 18 5  24  o 12.250  0.8048 -0.8893000     1.610000  
1 1 1 18 5  25  o 28.080  0.8031 -0.8010000     1.606000  
1 1 1 18 5  26  o 15.590  0.7703 1.661000       1.541000  
1 1 1 18 5  27  o 25.520  0.7716 -1.242000      1.543000  
1 1 1 18 5  28  o 14.550  1.7790 4.653000       3.558000  
1 1 1 18 5  29  o 4.8600  1.3460 -1.237000      2.692000  
1 1 1 18 5  30  o 25.740  0.7904 -1.915000      1.581000  
1 1 1 18 5  31  o 14.260  0.9451 3.578000       1.890000  
1 1 1 18 5  32  o 19.550  0.7846 -1.719000      1.569000  
1 1 1 18 5  33  o 5.1790  0.9356 4.567000       1.871000  
1 1 1 18 5  34  f 17.390  0.5911 -1.306000      1.182000  
1 1 1 18 5  35  o 10.610  0.6682 0.6534000      1.336000  
1 1 1 18 5  36  o 8.2270  0.8299 4.759000       1.660000  
1 1 1 18 5  37  o 14.920  0.6220 -1.771000      1.244000  
1 1 1 18 5  38  o 21.350  0.6377 0.5137000      1.275000  
1 1 1 18 5  39  o 7.7760  1.3460 1.204000       2.691000  
1 1 1 18 5  40  o 17.600  0.8184 2.445000       1.637000  
1 1 1 18 5  41  o 22.360  0.7939 1.081000       1.588000  
1 1 1 18 5  42  o 11.660  1.1410 2.807000       2.282000  
1 1 1 18 5  43  o 19.150  0.8180 2.089000       1.636000  
1 1 1 18 5  44  o 17.180  0.8499 -0.6930000E-01 1.700000  
1 1 1 18 5  45  o 15.010  1.0860 6.674000       2.172000  
1 1 1 18 5  46  o 12.600  1.0620 -2.033000      2.124000  
1 1 1 18 5  47  o 7.5580  1.3610 4.955000       2.721000  
1 1 1 18 5  48  o 7.4280  1.5780 -1.111000      3.156000  
1 1 1 18 5  49  o 6.0210  1.5790 0.7384000      3.158000  
1 1 1 18 5  50  o 6.6460  1.6320 -2.279000      3.263000  
1 1 1 18 5  51  o 6.2200  1.6380 0.5107000      3.277000  
1 1 1 18 5  52  o 13.880  1.2490 3.419000       2.497000  
1 1 1 18 5  53  o 9.9440  1.5830 2.489000       3.166000  
1 1 1 18 5  54  o 6.9680  1.6730 2.450000       3.345000  
1 1 1 18 5  55  o 6.2800  1.7770 -0.2090000     3.554000  
1 1 1 18 5  56  o 6.6240  1.7700 1.343000       3.539000  
1 1 1 18 5  57  o 6.5190  1.7790 -0.8517000     3.557000  
1 1 1 18 5  58  o 9.3170  1.5930 6.525000       3.186000  
1 1 1 18 5  59  o 7.4540  1.8120 1.641000       3.625000  
1 1 1 18 5  60  o 6.9910  1.7530 2.884000       3.506000  
1 1 1 18 5  61  o 8.3540  1.8250 -4.870000      3.650000  
1 1 1 18 5  62  o 5.2870  1.6740 -0.8300000     3.347000  
1 1 1 18 5  63  o 5.4740  1.7170 -1.488000      3.434000  
1 1 1 18 5  64  o 4.7430  1.5630 0.8745000      3.125000  
1 1 1 18 5  65  o 4.6380  1.5310 1.611000       3.062000  
1 1 1 18 5  66  o 5.6370  1.7310 -0.9591000E-01 3.462000  
1 1 1 18 5  67  o 4.3740  1.4790 0.2519000      2.957000  
1 1 1 18 5  68  o 4.0950  1.3890 0.5724000      2.777000  
1 1 1 18 5  69  o 3.7320  1.2580 0.7758000E-01  2.516000  
1 1 1 18 5  70  o 4.1210  1.3640 0.1897000      2.728000  
1 1 1 18 5  71  o 5.0090  2.2680 ?              ?         
1 1 1 18 6  0   o 32.340  0.9540 -0.000000      0.000000  
1 1 1 18 6  2   o 14.030  0.5141 1.507000       1.028000  
1 1 1 18 6  3   o 15.050  0.5106 0.6364000      1.021000  
1 1 1 18 6  4   o 17.200  0.4979 1.530000       0.9958000 
1 1 1 18 6  5   f 19.160  0.4989 0.5239000      0.9977000 
1 1 1 18 6  6   o 14.030  0.5403 -1.788000      1.081000  
1 1 1 18 6  7   o 23.560  0.6938 2.388000       1.388000  
1 1 1 18 6  8   o 22.300  0.6667 0.5146000      1.333000  
1 1 1 18 6  9   o 17.430  0.6542 -5.128000      1.308000  
1 1 1 18 6  10  o 6.6790  0.9259 -4.273000      1.852000  
1 1 1 18 6  11  o 11.370  0.6002 -1.636000      1.200000  
1 1 1 18 6  12  o 25.520  0.6020 2.260000       1.204000  
1 1 1 18 6  13  o 13.410  0.6894 ?              ?         
1 1 1 18 6  14  o 29.350  0.8767 ?              ?         
1 1 1 18 6  15  o 17.000  0.6717 ?              ?         
1 1 1 18 6  16  o 28.780  0.6629 2.641000       1.326000  
1 1 1 18 6  17  o 24.360  0.6170 -0.7853000     1.234000  
1 1 1 18 6  18  o 10.380  0.7923 ?              ?         
1 1 1 18 6  19  o 28.980  0.6772 -2.154000      1.354000  
1 1 1 18 6  20  f 25.790  0.6408 0.3768000E-01  1.282000  
1 1 1 18 6  21  o 16.590  0.6384 -1.805000      1.277000  
1 1 1 18 6  22  o 9.0800  0.9455 -1.228000      1.891000  
1 1 1 18 6  23  o 20.420  0.6990 -0.2166000     1.398000  
1 1 1 18 6  24  o 16.240  0.7386 1.084000       1.477000  
1 1 1 18 6  25  o 22.360  0.7224 -1.336000      1.445000  
1 1 1 18 6  26  f 12.600  0.8679 1.472000       1.736000  
1 1 1 18 6  27  o 25.410  0.7673 -0.5482000     1.535000  
1 1 1 18 6  28  f 17.410  0.7530 -0.2348000     1.506000  
1 1 1 18 6  29  o 6.6910  1.1980 3.900000       2.397000  
1 1 1 18 6  30  o 12.050  0.9245 -5.168000      1.849000  
1 1 1 18 6  31  o 18.030  0.7880 0.2692000      1.576000  
1 1 1 18 6  32  o 14.970  0.8700 0.5345000      1.740000  
1 1 1 18 6  33  o 12.660  0.6207 -0.8372000     1.241000  
1 1 1 18 6  34  o 13.860  0.5919 0.5415000      1.184000  
1 1 1 18 6  35  o 4.6360  1.0970 1.706000       2.194000  
1 1 1 18 6  36  o 23.270  0.6427 -1.315000      1.285000  
1 1 1 18 6  37  o 9.2920  0.8729 8.566000       1.746000  
1 1 1 18 6  38  o 17.130  0.6324 -2.889000      1.265000  
1 1 1 18 6  39  o 16.660  0.6474 0.2309000      1.295000  
1 1 1 18 6  40  o 5.7400  1.1860 2.072000       2.373000  
1 1 1 18 6  41  o 7.7870  1.0610 0.1994000      2.122000  
1 1 1 18 6  42  o 8.2100  1.3930 3.292000       2.785000  
1 1 1 18 6  43  o 4.5060  1.3870 -1.346000      2.775000  
1 1 1 18 6  44  o 13.410  0.9970 0.5291000      1.994000  
1 1 1 18 6  45  o 16.530  0.8965 -0.5352000     1.793000  
1 1 1 18 6  46  o 7.3930  1.5360 2.129000       3.073000  
1 1 1 18 6  47  o 11.330  1.3520 1.596000       2.704000  
1 1 1 18 6  48  o 7.9260  1.5940 0.7936000      3.188000  
1 1 1 18 6  49  o 11.170  1.3450 0.5784000      2.690000  
1 1 1 18 6  50  o 4.9470  1.5280 -1.254000      3.056000  
1 1 1 18 6  51  o 6.0160  1.5560 2.867000       3.111000  
1 1 1 18 6  52  o 6.9140  1.7600 -0.3279000     3.520000  
1 1 1 18 6  53  o 5.4030  1.5980 0.5913000      3.196000  
1 1 1 18 6  54  o 8.8360  1.4820 6.054000       2.963000  
1 1 1 18 6  55  o 4.7630  1.4580 1.399000       2.917000  
1 1 1 18 6  56  o 4.1250  1.3620 -0.7067000     2.723000  
1 1 1 18 6  57  o 4.5370  1.4510 0.2331000      2.902000  
1 1 1 18 6  58  o 5.5260  1.5670 2.563000       3.135000  
1 1 1 18 6  59  o 5.5640  1.6240 -0.9522000     3.247000  
1 1 1 18 6  60  o 4.3890  1.4720 -1.264000      2.943000  
1 1 1 18 6  61  f 5.1840  1.6160 1.015000       3.232000  
1 1 1 18 6  62  o 4.1240  1.4050 -0.6223000     2.810000  
1 1 1 18 6  63  o 5.2870  1.6560 -0.4428000E-01 3.313000  
1 1 1 18 6  64  f 4.5890  1.5130 0.2668000      3.025000  
1 1 1 18 6  65  o 6.7960  1.8280 1.172000       3.656000  
1 1 1 18 6  66  f 4.7710  1.5560 0.3361000      3.113000  
1 1 1 18 6  67  o 4.3120  1.4370 0.5705000      2.873000  
1 1 1 18 6  68  o 3.7640  1.2870 1.857000       2.574000  
1 1 1 18 6  69  o 4.0130  1.3030 0.1345000      2.607000  
1 1 1 18 6  70  o 4.0020  1.9320 ?              ?         
1 1 1 18 6  71  o 3.2820  1.6480 ?              ?         
1 1 1 18 7  0   o 10.580  0.8678 -0.000000      0.000000  
1 1 1 18 7  1   f 16.460  0.7176 ?              ?         
1 1 1 18 7  2   o 28.370  0.6091 1.056000       1.218000  
1 1 1 18 7  4   o 14.670  0.5265 4.653000       1.053000  
1 1 1 18 7  5   o 25.180  0.5662 2.223000       1.132000  
1 1 1 18 7  7   o 46.920  0.8643 5.718000       1.729000  
1 1 1 18 7  8   o 38.140  0.7274 0.6609000      1.455000  
1 1 1 18 7  9   o 41.220  0.7755 0.7537000      1.551000  
1 1 1 18 7  10  o 37.780  0.9562 -0.2800000     1.912000  
1 1 1 18 7  11  o 19.070  0.6909 ?              ?         
1 1 1 18 7  12  o 34.990  0.7423 3.849000       1.485000  
1 1 1 18 7  13  o 24.390  0.6039 -3.298000      1.208000  
1 1 1 18 7  14  o 6.1730  1.2000 ?              ?         
1 1 1 18 7  15  o 8.2740  0.8430 -0.4335000E-01 1.686000  
1 1 1 18 7  16  o 25.890  0.8061 ?              ?         
1 1 1 18 7  17  o 28.170  0.6662 -2.973000      1.332000  
1 1 1 18 7  18  o 27.760  0.6527 -1.802000      1.305000  
1 1 1 18 7  19  o 17.830  0.6013 -1.546000      1.203000  
1 1 1 18 7  20  o 22.740  0.6112 -1.193000      1.222000  
1 1 1 18 7  21  o 17.990  0.5973 -0.2267000     1.195000  
1 1 1 18 7  22  o 13.430  0.7020 -0.5287000     1.404000  
1 1 1 18 7  23  o 5.8510  1.2070 -2.335000      2.415000  
1 1 1 18 7  24  o 11.060  0.8509 1.831000       1.702000  
1 1 1 18 7  25  o 5.2800  1.2680 0.8950000      2.537000  
1 1 1 18 7  26  o 8.9730  1.0970 -0.1694000     2.195000  
1 1 1 18 7  27  o 11.910  0.9360 1.745000       1.872000  
1 1 1 18 7  28  o 14.950  0.8001 0.4474000      1.600000  
1 1 1 18 7  29  o 27.220  0.8258 1.489000       1.652000  
1 1 1 18 7  30  o 10.890  1.0800 2.373000       2.160000  
1 1 1 18 7  31  o 7.6170  0.8243 0.4140000      1.649000  
1 1 1 18 7  32  f 15.050  0.5863 -0.4470000     1.173000  
1 1 1 18 7  33  o 5.7940  1.0070 -1.872000      2.013000  
1 1 1 18 7  34  o 21.480  0.6125 -2.507000      1.225000  
1 1 1 18 7  35  o 13.770  0.6225 4.950000       1.245000  
1 1 1 18 7  36  o 14.390  0.6380 -0.7480000     1.276000  
1 1 1 18 7  37  o 12.620  0.6729 4.244000       1.346000  
1 1 1 18 7  38  o 14.810  0.6561 -0.5926000     1.312000  
1 1 1 18 7  39  o 23.430  0.6895 0.3422000      1.379000  
1 1 1 18 7  40  o 13.180  0.7143 2.670000       1.429000  
1 1 1 18 7  41  o 4.7610  1.1950 3.289000       2.390000  
1 1 1 18 7  42  o 18.750  0.6775 -1.739000      1.355000  
1 1 1 18 7  43  o 11.400  0.8073 3.306000       1.615000  
1 1 1 18 7  44  o 14.640  0.7235 0.3727000      1.447000  
1 1 1 18 7  45  f 10.920  1.2850 3.359000       2.570000  
1 1 1 18 7  46  o 7.7110  1.5250 -2.989000      3.050000  
1 1 1 18 7  47  f 14.750  1.0110 -0.1747000     2.022000  
1 1 1 18 7  48  o 5.6980  1.6030 -0.2902000     3.207000  
1 1 1 18 7  49  o 6.0250  1.6570 -0.7788000     3.315000  
1 1 1 18 7  50  o 11.450  1.4210 3.753000       2.841000  
1 1 1 18 7  51  o 6.9520  1.6900 -1.149000      3.380000  
1 1 1 18 7  52  o 9.4810  1.5780 2.395000       3.155000  
1 1 1 18 7  53  o 5.9390  1.6210 1.189000       3.243000  
1 1 1 18 7  54  o 5.0650  1.5260 1.220000       3.053000  
1 1 1 18 7  55  o 4.7950  1.4430 2.003000       2.885000  
1 1 1 18 7  56  o 4.9440  1.5210 -0.4801000     3.043000  
1 1 1 18 7  57  o 7.0340  1.6880 0.7714000      3.375000  
1 1 1 18 7  58  o 11.650  1.4240 3.191000       2.848000  
1 1 1 18 7  59  o 4.9380  1.5440 -0.1323000     3.088000  
1 1 1 18 7  60  o 5.7940  1.6630 1.196000       3.325000  
1 1 1 18 7  61  o 4.9770  1.5520 -0.2736000     3.104000  
1 1 1 18 7  62  o 4.0750  1.3640 0.9189000      2.728000  
1 1 1 18 7  63  o 4.4700  1.4470 0.5528000      2.894000  
1 1 1 18 7  64  f 5.1430  1.5790 2.027000       3.158000  
1 1 1 18 7  65  o 4.6770  1.4950 0.2439000E-01  2.990000  
1 1 1 18 7  66  o 3.7150  1.2910 1.148000       2.582000  
1 1 1 18 7  67  o 3.5900  1.2190 -0.4823000E-01 2.438000  
1 1 1 18 7  68  o 3.8500  1.2810 0.8762000      2.562000  
1 1 1 18 7  69  o 3.5490  1.7510 ?              ?         
1 1 1 18 7  70  o 3.1400  1.5830 ?              ?         
1 1 1 18 8  0   o 42.170  1.2130 0.000000       0.000000  
1 1 1 18 8  2   f 18.440  0.7551 ?              ?         
1 1 1 18 8  3   o 25.380  0.5704 -1.201000      1.141000  
1 1 1 18 8  5   o 32.250  0.6208 1.304000       1.242000  
1 1 1 18 8  6   o 19.940  0.7034 ?              ?         
1 1 1 18 8  7   o 24.180  0.5203 -0.1094000     1.041000  
1 1 1 18 8  8   o 10.750  0.5531 ?              ?         
1 1 1 18 8  9   o 16.490  0.4861 1.233000       0.9722000 
1 1 1 18 8  10  o 13.920  0.5305 -1.186000      1.061000  
1 1 1 18 8  11  o 34.680  0.6673 3.295000       1.335000  
1 1 1 18 8  12  o 23.890  0.7723 ?              ?         
1 1 1 18 8  13  o 13.850  0.5944 -1.557000      1.189000  
1 1 1 18 8  14  o 16.620  0.6116 -0.1236000E-01 1.223000  
1 1 1 18 8  15  o 9.1830  0.8811 ?              ?         
1 1 1 18 8  16  o 32.310  0.9555 ?              ?         
1 1 1 18 8  17  o 16.470  0.7089 ?              ?         
1 1 1 18 8  18  o 25.210  0.6288 0.5918000      1.258000  
1 1 1 18 8  19  o 20.450  0.6017 -0.5527000     1.203000  
1 1 1 18 8  20  o 20.370  0.6089 -2.396000      1.218000  
1 1 1 18 8  21  o 16.520  0.6106 -0.2234000     1.221000  
1 1 1 18 8  22  o 7.1310  1.1090 0.1886000      2.218000  
1 1 1 18 8  23  o 21.390  0.6381 1.873000       1.276000  
1 1 1 18 8  24  o 13.200  0.7549 1.089000       1.510000  
1 1 1 18 8  25  f 21.390  0.6482 1.490000       1.296000  
1 1 1 18 8  26  o 18.460  1.1450 ?              ?         
1 1 1 18 8  27  o 15.920  0.7486 2.375000       1.497000  
1 1 1 18 8  28  o 12.720  0.7152 ?              ?         
1 1 1 18 8  29  o 11.990  0.6753 -1.947000      1.351000  
1 1 1 18 8  30  o 3.5880  1.0580 1.192000       2.115000  
1 1 1 18 8  31  o 8.2150  0.9164 -2.577000      1.833000  
1 1 1 18 8  32  o 13.520  0.6196 0.3028000      1.239000  
1 1 1 18 8  33  o 18.300  0.6256 0.7761000      1.251000  
1 1 1 18 8  34  o 16.990  0.6341 1.243000       1.268000  
1 1 1 18 8  35  o 24.330  0.7556 -1.584000      1.511000  
1 1 1 18 8  36  o 9.2600  0.8672 6.310000       1.734000  
1 1 1 18 8  37  o 27.170  0.7568 -1.992000      1.514000  
1 1 1 18 8  38  o 9.5720  0.9207 7.356000       1.841000  
1 1 1 18 8  39  o 16.700  0.6803 1.422000       1.361000  
1 1 1 18 8  40  o 4.3990  1.2230 0.9345000      2.446000  
1 1 1 18 8  41  o 10.440  0.8715 1.301000       1.743000  
1 1 1 18 8  42  o 5.7200  1.3010 1.449000       2.602000  
1 1 1 18 8  43  o 11.590  0.8710 0.2044000E-01  1.742000  
1 1 1 18 8  44  o 8.9430  1.0570 3.824000       2.114000  
1 1 1 18 8  45  o 3.9230  1.1990 -0.2938000E-01 2.398000  
1 1 1 18 8  46  o 4.0900  1.2140 -0.1188000     2.428000  
1 1 1 18 8  47  o 4.0890  1.2260 2.726000       2.452000  
1 1 1 18 8  48  o 5.5000  1.3610 0.6415000E-01  2.722000  
1 1 1 18 8  49  o 12.650  1.5970 2.912000       3.194000  
1 1 1 18 8  50  o 8.0080  1.9250 -1.486000      3.850000  
1 1 1 18 8  51  o 5.7010  1.7260 -1.886000      3.451000  
1 1 1 18 8  52  o 7.5720  1.8390 -2.579000      3.678000  
1 1 1 18 8  53  o 10.190  1.6010 5.167000       3.203000  
1 1 1 18 8  54  o 6.8750  1.6700 2.463000       3.340000  
1 1 1 18 8  55  o 6.2840  1.7540 -0.6774000     3.509000  
1 1 1 18 8  56  f 8.8900  1.8380 1.400000       3.677000  
1 1 1 18 8  57  o 6.3430  1.6310 4.025000       3.263000  
1 1 1 18 8  58  o 6.1580  1.7780 0.5262000      3.555000  
1 1 1 18 8  59  o 5.5760  1.7530 -1.855000      3.506000  
1 1 1 18 8  60  o 4.6950  1.5320 0.9344000      3.064000  
1 1 1 18 8  61  o 7.5640  1.8430 2.180000       3.686000  
1 1 1 18 8  62  o 4.0820  1.4090 -0.4279000     2.819000  
1 1 1 18 8  63  o 5.9890  1.7850 0.9763000      3.570000  
1 1 1 18 8  64  o 4.1640  1.4280 0.7525000      2.855000  
1 1 1 18 8  65  o 4.4190  1.4680 0.1426000      2.936000  
1 1 1 18 8  66  o 3.6610  1.2330 -0.5981000     2.466000  
1 1 1 18 8  67  o 6.3300  1.5950 0.5479000      3.191000  
1 1 1 18 8  68  o 3.8480  1.8650 ?              ?         
1 1 1 18 8  69  o 3.7800  1.8460 ?              ?         
1 1 1 18 9  0   o 8.7180  0.9897 -0.000000      0.000000  
1 1 1 18 9  1   o 14.670  0.5067 0.5595000      1.013000  
1 1 1 18 9  2   o 10.030  0.8120 ?              ?         
1 1 1 18 9  3   o 11.300  0.5792 -0.4255000     1.158000  
1 1 1 18 9  4   o 20.280  0.4760 0.6854000      0.9520000 
1 1 1 18 9  5   o 17.750  0.5519 ?              ?         
1 1 1 18 9  6   o 14.370  0.6584 ?              ?         
1 1 1 18 9  7   o 21.550  0.5022 1.572000       1.004000  
1 1 1 18 9  8   o 18.380  0.5426 ?              ?         
1 1 1 18 9  9   o 20.860  0.5022 -1.368000      1.004000  
1 1 1 18 9  10  o 9.7440  0.6016 ?              ?         
1 1 1 18 9  11  o 13.720  0.5155 -0.5915000     1.031000  
1 1 1 18 9  12  o 15.460  0.4983 4.381000       0.9966000 
1 1 1 18 9  13  f 29.990  0.6486 0.5948000      1.297000  
1 1 1 18 9  14  f 37.280  0.7130 -2.381000      1.426000  
1 1 1 18 9  15  o 14.060  1.1610 ?              ?         
1 1 1 18 9  16  o 17.160  0.5052 -1.036000      1.010000  
1 1 1 18 9  17  o 29.830  0.6882 -1.886000      1.376000  
1 1 1 18 9  19  o 18.950  0.5059 -0.1611000     1.012000  
1 1 1 18 9  20  o 23.340  0.5384 -0.6567000     1.077000  
1 1 1 18 9  21  o 21.090  0.5309 -0.4557000     1.062000  
1 1 1 18 9  22  o 13.440  0.7350 -0.1877000     1.470000  
1 1 1 18 9  23  o 23.460  0.5465 2.284000       1.093000  
1 1 1 18 9  24  o 16.230  0.7463 ?              ?         
1 1 1 18 9  25  o 19.290  0.5291 1.558000       1.058000  
1 1 1 18 9  26  o 19.160  0.7399 ?              ?         
1 1 1 18 9  27  o 8.5640  0.8034 1.471000       1.607000  
1 1 1 18 9  28  o 3.8700  1.0560 -1.250000      2.111000  
1 1 1 18 9  29  f 16.460  0.5481 -0.4414000     1.096000  
1 1 1 18 9  30  o 19.150  0.5595 -0.8165000     1.119000  
1 1 1 18 9  31  o 6.3680  1.0070 1.104000       2.014000  
1 1 1 18 9  32  o 5.8280  1.1460 -0.1655000     2.291000  
1 1 1 18 9  33  o 24.690  0.7005 -1.760000      1.401000  
1 1 1 18 9  34  o 16.080  0.6605 4.213000       1.321000  
1 1 1 18 9  35  o 15.620  0.6733 -2.953000      1.347000  
1 1 1 18 9  36  o 21.800  0.6959 0.8974000      1.392000  
1 1 1 18 9  37  o 16.320  0.6793 -0.1080000     1.359000  
1 1 1 18 9  38  o 12.750  0.7616 1.409000       1.523000  
1 1 1 18 9  39  o 11.330  0.8499 -0.5559000     1.700000  
1 1 1 18 9  40  f 3.9960  1.1910 1.690000       2.382000  
1 1 1 18 9  41  o 5.2980  1.2900 1.485000       2.579000  
1 1 1 18 9  42  o 4.9350  1.2770 2.640000       2.553000  
1 1 1 18 9  43  o 5.9690  1.1680 -3.127000      2.335000  
1 1 1 18 9  44  o 4.3630  1.2480 -0.1011000     2.495000  
1 1 1 18 9  45  f 6.1570  1.3380 0.2027000      2.675000  
1 1 1 18 9  46  o 4.3410  1.2930 0.8076000      2.587000  
1 1 1 18 9  47  o 6.7140  1.3510 3.897000       2.702000  
1 1 1 18 9  48  o 5.3530  1.3920 2.311000       2.783000  
1 1 1 18 9  49  o 4.3790  1.2760 -0.2037000     2.552000  
1 1 1 18 9  50  o 7.2600  1.3730 -1.298000      2.747000  
1 1 1 18 9  51  o 9.2710  1.2890 -2.696000      2.578000  
1 1 1 18 9  52  o 6.2380  1.4890 3.175000       2.978000  
1 1 1 18 9  53  o 7.2200  1.6470 3.459000       3.295000  
1 1 1 18 9  54  o 5.3030  1.6090 0.4950000      3.219000  
1 1 1 18 9  55  o 8.3940  1.6630 4.366000       3.325000  
1 1 1 18 9  56  o 4.6590  1.5530 -0.8967000     3.106000  
1 1 1 18 9  57  o 6.1370  1.6950 2.537000       3.390000  
1 1 1 18 9  58  o 6.6680  1.8280 1.866000       3.656000  
1 1 1 18 9  59  o 4.2180  1.4480 -0.1899000     2.897000  
1 1 1 18 9  60  o 5.4890  1.7150 0.3335000      3.430000  
1 1 1 18 9  61  o 5.2970  1.6730 -1.682000      3.345000  
1 1 1 18 9  62  f 5.1820  1.6310 1.362000       3.263000  
1 1 1 18 9  63  o 6.8450  1.7440 3.402000       3.488000  
1 1 1 18 9  64  o 4.1260  1.3730 1.024000       2.745000  
1 1 1 18 9  65  o 4.1850  1.3570 -0.1737000     2.714000  
1 1 1 18 9  66  o 4.2950  1.4080 1.948000       2.817000  
1 1 1 18 9  67  o 4.6500  2.1400 ?              ?         
1 1 1 18 10 0   o 17.570  0.6973 -0.000000      0.000000  
1 1 1 18 10 1   o 14.620  0.5022 -1.200000      1.004000  
1 1 1 18 10 2   o 14.550  0.4648 1.375000       0.9297000 
1 1 1 18 10 3   o 14.830  0.4737 0.9636000      0.9475000 
1 1 1 18 10 4   o 23.160  0.4695 0.6633000      0.9390000 
1 1 1 18 10 5   o 15.620  0.4747 -0.5684000     0.9493000 
1 1 1 18 10 6   o 12.490  0.5567 -1.598000      1.113000  
1 1 1 18 10 7   o 25.480  0.4945 2.622000       0.9891000 
1 1 1 18 10 8   o 17.550  0.5033 -1.543000      1.007000  
1 1 1 18 10 9   o 37.410  0.6422 1.353000       1.284000  
1 1 1 18 10 10  o 30.370  0.6444 2.197000       1.289000  
1 1 1 18 10 11  o 11.560  0.9071 2.871000       1.814000  
1 1 1 18 10 12  o 12.770  0.5173 -0.9954000     1.035000  
1 1 1 18 10 13  o 11.880  0.7877 -0.3210000     1.575000  
1 1 1 18 10 14  f 19.350  0.4657 1.147000       0.9315000 
1 1 1 18 10 15  o 21.420  0.5336 1.646000       1.067000  
1 1 1 18 10 16  o 26.760  0.5695 -1.744000      1.139000  
1 1 1 18 10 17  o 21.970  0.5492 2.234000       1.098000  
1 1 1 18 10 18  o 24.110  0.5575 -4.153000      1.115000  
1 1 1 18 10 19  o 30.540  0.7013 0.5984000      1.403000  
1 1 1 18 10 20  o 11.890  1.2340 ?              ?         
1 1 1 18 10 21  o 35.170  0.7831 -2.984000      1.566000  
1 1 1 18 10 23  o 6.6610  1.0520 0.6761000      2.104000  
1 1 1 18 10 24  o 9.1440  0.7904 0.2013000      1.581000  
1 1 1 18 10 25  o 21.570  0.5529 0.2254000      1.106000  
1 1 1 18 10 26  o 15.640  0.5845 2.149000       1.169000  
1 1 1 18 10 27  o 9.4700  1.0490 ?              ?         
1 1 1 18 10 28  o 3.6160  1.0620 0.4657000      2.125000  
1 1 1 18 10 29  o 4.2800  1.1180 -0.7355000     2.236000  
1 1 1 18 10 30  o 7.6410  0.9038 0.3291000      1.808000  
1 1 1 18 10 31  o 7.1690  0.9563 0.2874000      1.913000  
1 1 1 18 10 32  o 7.9390  0.8972 -1.853000      1.794000  
1 1 1 18 10 33  o 5.6230  1.1170 -0.7234000     2.233000  
1 1 1 18 10 34  o 15.350  0.5797 -0.4466000     1.159000  
1 1 1 18 10 35  f 7.6910  1.0730 3.164000       2.146000  
1 1 1 18 10 36  o 7.4000  1.1190 -2.043000      2.238000  
1 1 1 18 10 37  o 4.7670  1.2530 2.038000       2.505000  
1 1 1 18 10 38  o 4.6810  1.2300 0.2205000      2.461000  
1 1 1 18 10 39  o 10.750  0.9239 0.4198000      1.848000  
1 1 1 18 10 40  o 11.260  0.8840 -0.4199000     1.768000  
1 1 1 18 10 41  o 10.990  0.8809 1.856000       1.762000  
1 1 1 18 10 42  o 11.540  0.8650 2.519000       1.730000  
1 1 1 18 10 43  o 12.500  0.8714 -0.7884000     1.743000  
1 1 1 18 10 44  o 13.690  0.8263 1.847000       1.653000  
1 1 1 18 10 45  o 4.7620  1.3260 1.724000       2.653000  
1 1 1 18 10 46  o 11.900  0.8980 3.095000       1.796000  
1 1 1 18 10 47  o 16.890  0.8105 -1.036000      1.621000  
1 1 1 18 10 48  o 5.3580  1.3390 4.276000       2.677000  
1 1 1 18 10 49  o 6.2530  1.4200 1.138000       2.840000  
1 1 1 18 10 50  o 5.3480  1.3960 -0.2854000     2.792000  
1 1 1 18 10 51  o 3.9340  1.2340 -0.4204000     2.469000  
1 1 1 18 10 52  o 13.800  0.9452 -1.487000      1.890000  
1 1 1 18 10 53  o 4.5590  1.3660 0.6628000      2.733000  
1 1 1 18 10 54  o 4.1440  1.3020 -0.1625000     2.604000  
1 1 1 18 10 55  o 5.2890  1.4790 0.8844000      2.957000  
1 1 1 18 10 56  o 4.3550  1.3440 -0.1846000     2.688000  
1 1 1 18 10 57  o 5.3470  1.6820 -0.8020000E-03 3.364000  
1 1 1 18 10 58  o 4.1300  1.4300 -1.350000      2.861000  
1 1 1 18 10 59  o 4.6090  1.5220 -0.8695000E-01 3.045000  
1 1 1 18 10 60  o 4.1470  1.4020 0.1511000      2.803000  
1 1 1 18 10 61  o 4.2020  1.4010 1.328000       2.803000  
1 1 1 18 10 62  o 6.4890  1.7210 2.376000       3.443000  
1 1 1 18 10 63  o 4.6750  1.4690 -0.3569000     2.938000  
1 1 1 18 10 64  o 5.2570  1.5190 1.409000       3.038000  
1 1 1 18 10 65  o 4.0090  1.3100 0.2353000      2.619000  
1 1 1 18 10 66  o 3.7050  1.8000 ?              ?         
1 1 1 18 11 0   o 11.140  0.6940 0.000000       0.000000  
1 1 1 18 11 1   o 16.650  0.4488 -0.6570000     0.8976000 
1 1 1 18 11 2   o 13.230  0.5384 -0.9593000     1.077000  
1 1 1 18 11 3   o 12.480  0.5829 -5.682000      1.166000  
1 1 1 18 11 4   o 32.430  0.5514 1.057000       1.103000  
1 1 1 18 11 5   o 21.270  0.6117 2.247000       1.223000  
1 1 1 18 11 6   o 24.310  0.4859 -0.6776000     0.9719000 
1 1 1 18 11 7   o 18.150  0.5422 -1.524000      1.084000  
1 1 1 18 11 8   o 14.400  0.5099 -0.1955000     1.020000  
1 1 1 18 11 9   o 28.280  0.5329 1.010000       1.066000  
1 1 1 18 11 10  o 26.660  0.5173 -1.830000      1.035000  
1 1 1 18 11 11  o 22.570  0.5479 -0.2742000     1.096000  
1 1 1 18 11 12  o 22.390  0.4794 -0.6339000     0.9589000 
1 1 1 18 11 13  o 20.390  0.4749 -1.760000      0.9497000 
1 1 1 18 11 14  o 21.440  0.4820 1.314000       0.9640000 
1 1 1 18 11 15  o 26.510  0.5171 1.283000       1.034000  
1 1 1 18 11 16  o 18.650  0.7469 ?              ?         
1 1 1 18 11 17  o 24.220  0.5523 -0.1162000     1.105000  
1 1 1 18 11 18  o 21.710  0.7559 ?              ?         
1 1 1 18 11 19  o 18.140  0.5513 -0.4488000     1.103000  
1 1 1 18 11 20  o 16.610  0.5530 0.3787000      1.106000  
1 1 1 18 11 21  o 12.320  0.6553 0.8994000      1.311000  
1 1 1 18 11 22  o 9.0510  0.8422 -3.405000      1.684000  
1 1 1 18 11 23  o 5.4350  1.1380 1.369000       2.276000  
1 1 1 18 11 24  o 4.8550  1.1630 0.3848000      2.326000  
1 1 1 18 11 25  o 6.0630  1.1330 0.4180000      2.266000  
1 1 1 18 11 26  o 4.9920  1.1550 -1.342000      2.311000  
1 1 1 18 11 27  o 21.000  0.5754 -1.368000      1.151000  
1 1 1 18 11 28  o 8.2490  1.0130 4.674000       2.027000  
1 1 1 18 11 29  o 6.7640  1.0360 0.6583000      2.073000  
1 1 1 18 11 30  o 6.6110  1.0430 -1.747000      2.087000  
1 1 1 18 11 31  o 8.3530  0.8663 1.178000       1.733000  
1 1 1 18 11 32  o 7.9770  0.9076 1.361000       1.815000  
1 1 1 18 11 33  o 3.1340  1.0030 0.1317000      2.006000  
1 1 1 18 11 34  o 20.960  0.5680 -0.5521000     1.136000  
1 1 1 18 11 35  o 11.790  0.6783 1.753000       1.357000  
1 1 1 18 11 36  o 8.2970  0.9148 1.038000       1.830000  
1 1 1 18 11 37  o 13.330  0.6453 -0.8872000E-01 1.291000  
1 1 1 18 11 38  o 11.250  0.9383 ?              ?         
1 1 1 18 11 39  o 14.000  0.7791 -0.6104000     1.558000  
1 1 1 18 11 40  o 15.150  0.7568 -1.224000      1.514000  
1 1 1 18 11 41  o 8.1050  1.1710 3.546000       2.341000  
1 1 1 18 11 42  o 15.870  0.7694 -1.815000      1.539000  
1 1 1 18 11 43  o 6.5550  1.2570 4.723000       2.513000  
1 1 1 18 11 44  o 11.610  0.9357 -1.197000      1.871000  
1 1 1 18 11 45  o 4.7980  1.3320 0.8637000      2.664000  
1 1 1 18 11 46  o 3.8950  1.2270 0.7548000      2.453000  
1 1 1 18 11 47  o 3.5660  1.1710 1.424000       2.341000  
1 1 1 18 11 48  o 7.8310  1.3160 -1.944000      2.631000  
1 1 1 18 11 49  o 7.5090  1.3850 3.302000       2.769000  
1 1 1 18 11 50  o 6.2880  1.3980 -0.8120000     2.795000  
1 1 1 18 11 51  o 10.040  1.1630 0.9763000      2.327000  
1 1 1 18 11 52  o 4.7930  1.3450 -0.7697000     2.691000  
1 1 1 18 11 53  o 9.5180  1.2630 0.4769000      2.526000  
1 1 1 18 11 54  o 6.5460  1.5060 3.288000       3.011000  
1 1 1 18 11 55  o 5.1910  1.4730 0.4327000      2.947000  
1 1 1 18 11 56  o 4.7550  1.4350 0.7438000      2.869000  
1 1 1 18 11 57  o 5.3160  1.4890 0.9404000      2.978000  
1 1 1 18 11 58  o 3.4410  1.1480 -0.1846000     2.297000  
1 1 1 18 11 59  o 7.1940  1.5090 1.684000       3.018000  
1 1 1 18 11 60  o 4.4640  1.3680 1.073000       2.736000  
1 1 1 18 11 61  o 3.7240  1.2700 0.4192000      2.539000  
1 1 1 18 11 62  o 5.6340  1.6020 0.7912000      3.204000  
1 1 1 18 11 63  o 7.0450  1.6760 0.9401000      3.352000  
1 1 1 18 11 64  o 6.2550  2.4610 ?              ?         
1 1 1 18 12 0   o 25.710  0.7594 0.000000       0.000000  
1 1 1 18 12 1   o 22.870  0.4717 -2.889000      0.9433000 
1 1 1 18 12 2   o 36.790  0.5603 -0.4546000     1.121000  
1 1 1 18 12 3   o 23.520  0.5987 4.978000       1.197000  
1 1 1 18 12 4   f 32.510  0.5612 -0.2450000     1.122000  
1 1 1 18 12 5   o 19.090  0.6623 5.092000       1.325000  
1 1 1 18 12 6   o 11.310  0.8996 2.188000       1.799000  
1 1 1 18 12 7   o 7.9400  0.7476 -1.220000      1.495000  
1 1 1 18 12 8   o 9.4830  0.6563 -0.2867000     1.313000  
1 1 1 18 12 9   o 15.450  0.4942 1.056000       0.9883000 
1 1 1 18 12 10  o 16.710  0.5311 2.315000       1.062000  
1 1 1 18 12 11  o 18.260  0.4795 -0.8611000     0.9589000 
1 1 1 18 12 12  o 9.3780  0.6903 -0.3132000     1.381000  
1 1 1 18 12 13  o 16.570  0.4821 0.4250000      0.9642000 
1 1 1 18 12 14  o 16.910  0.4821 -2.742000      0.9642000 
1 1 1 18 12 15  o 16.630  0.4967 1.060000       0.9934000 
1 1 1 18 12 16  o 15.730  0.5022 -1.940000      1.004000  
1 1 1 18 12 17  o 18.980  0.4916 0.8592000      0.9831000 
1 1 1 18 12 18  o 19.720  0.4927 1.013000       0.9853000 
1 1 1 18 12 19  o 11.180  0.9001 -0.8365000     1.800000  
1 1 1 18 12 20  f 17.510  0.5667 -1.290000      1.133000  
1 1 1 18 12 21  o 10.020  0.7831 -1.144000      1.566000  
1 1 1 18 12 22  o 7.0910  1.0450 -1.364000      2.089000  
1 1 1 18 12 23  o 7.4600  1.0110 0.8249000E-01  2.021000  
1 1 1 18 12 24  o 6.9660  1.0990 -0.1679000     2.199000  
1 1 1 18 12 25  o 19.490  0.5631 1.044000       1.126000  
1 1 1 18 12 26  o 19.660  0.5816 -1.873000      1.163000  
1 1 1 18 12 27  o 20.880  0.5694 -0.8424000     1.139000  
1 1 1 18 12 28  o 12.930  1.5420 ?              ?         
1 1 1 18 12 29  o 4.3480  1.1590 -0.7976000     2.319000  
1 1 1 18 12 30  o 10.170  0.7723 -1.631000      1.545000  
1 1 1 18 12 31  o 13.950  0.6108 -0.4323000     1.222000  
1 1 1 18 12 32  o 8.8290  0.8964 -0.4357000     1.793000  
1 1 1 18 12 33  o 6.1850  1.1390 0.2242000      2.279000  
1 1 1 18 12 34  o 6.5890  1.1060 -0.1074000     2.212000  
1 1 1 18 12 35  o 6.1910  1.1010 3.447000       2.201000  
1 1 1 18 12 36  o 6.8190  1.1180 0.6611000      2.237000  
1 1 1 18 12 37  o 9.8880  0.8283 -0.1453000     1.657000  
1 1 1 18 12 38  o 5.3910  1.2300 0.2757000E-01  2.461000  
1 1 1 18 12 39  o 14.430  0.6589 -0.3009000E-01 1.318000  
1 1 1 18 12 40  o 7.9090  1.0640 -1.706000      2.128000  
1 1 1 18 12 41  o 8.1270  1.0220 2.046000       2.043000  
1 1 1 18 12 42  o 3.9340  1.1610 0.9148000      2.323000  
1 1 1 18 12 43  o 14.220  0.8428 -0.5066000     1.686000  
1 1 1 18 12 44  o 7.4500  1.3220 1.582000       2.644000  
1 1 1 18 12 45  o 10.740  1.0910 -0.4206000     2.183000  
1 1 1 18 12 46  f 10.360  1.0830 3.717000       2.167000  
1 1 1 18 12 47  o 10.100  1.2000 -1.883000      2.401000  
1 1 1 18 12 48  o 7.5920  1.4130 1.444000       2.825000  
1 1 1 18 12 49  o 17.500  0.8563 -0.9949000     1.713000  
1 1 1 18 12 50  o 11.550  1.0900 2.365000       2.180000  
1 1 1 18 12 51  o 4.8100  1.3270 -1.713000      2.655000  
1 1 1 18 12 52  o 6.9000  1.5170 1.640000       3.035000  
1 1 1 18 12 53  o 7.2110  1.3000 -4.389000      2.600000  
1 1 1 18 12 54  o 4.6980  1.3760 0.2575000      2.751000  
1 1 1 18 12 55  o 6.0350  1.4410 -0.7282000     2.882000  
1 1 1 18 12 56  o 4.3720  1.3110 -0.7130000     2.622000  
1 1 1 18 12 57  o 6.3360  1.4000 -2.184000      2.800000  
1 1 1 18 12 58  o 5.9940  1.5660 1.768000       3.133000  
1 1 1 18 12 59  o 3.8340  1.2710 1.236000       2.543000  
1 1 1 18 12 60  o 3.6040  1.2090 0.7657000      2.418000  
1 1 1 18 12 61  o 4.6730  1.4150 2.116000       2.831000  
1 1 1 18 12 62  o 3.7180  1.2600 -0.1365000     2.520000  
1 1 1 18 13 0   o 21.210  0.7250 0.000000       0.000000  
1 1 1 18 13 1   o 18.660  0.5412 -0.6691000E-01 1.082000  
1 1 1 18 13 2   f 23.180  0.4361 -0.8807000     0.8722000 
1 1 1 18 13 3   o 18.820  0.4660 -1.527000      0.9321000 
1 1 1 18 13 4   o 17.280  0.4226 0.3130000      0.8453000 
1 1 1 18 13 5   o 13.110  0.5190 -1.049000      1.038000  
1 1 1 18 13 6   o 15.660  0.5388 4.566000       1.078000  
1 1 1 18 13 7   o 24.720  0.4914 0.2668000      0.9828000 
1 1 1 18 13 8   o 18.840  0.5241 1.195000       1.048000  
1 1 1 18 13 9   o 8.2290  1.0740 1.923000       2.148000  
1 1 1 18 13 10  f 6.6900  0.9356 -0.5447000     1.871000  
1 1 1 18 13 11  o 13.120  0.5991 1.038000       1.198000  
1 1 1 18 13 12  o 6.5640  0.9730 -2.198000      1.946000  
1 1 1 18 13 13  o 7.6190  0.8681 0.6658000      1.736000  
1 1 1 18 13 14  o 15.260  0.5144 0.5017000      1.029000  
1 1 1 18 13 15  o 11.200  0.6349 -0.5013000     1.270000  
1 1 1 18 13 16  o 16.710  0.5112 1.852000       1.022000  
1 1 1 18 13 17  o 7.8060  0.8558 -3.981000      1.712000  
1 1 1 18 13 18  o 14.450  0.5361 1.513000       1.072000  
1 1 1 18 13 19  o 17.550  0.5031 0.4489000      1.006000  
1 1 1 18 13 20  o 12.580  0.6887 0.4983000E-01  1.377000  
1 1 1 18 13 21  o 24.360  0.5606 1.030000       1.121000  
1 1 1 18 13 22  o 13.290  0.7903 2.149000       1.581000  
1 1 1 18 13 23  o 27.520  0.5906 -0.6131000     1.181000  
1 1 1 18 13 24  o 6.4470  1.3170 -3.585000      2.635000  
1 1 1 18 13 25  o 10.730  0.8281 3.527000       1.656000  
1 1 1 18 13 26  o 18.310  0.5770 0.2957000E-01  1.154000  
1 1 1 18 13 27  o 15.230  0.6012 1.984000       1.202000  
1 1 1 18 13 28  o 13.510  0.7166 -0.4927000     1.433000  
1 1 1 18 13 29  o 8.2870  0.9499 -1.478000      1.900000  
1 1 1 18 13 30  o 15.790  0.6061 -0.7310000     1.212000  
1 1 1 18 13 31  o 18.460  0.5854 -0.4379000E-02 1.171000  
1 1 1 18 13 32  o 14.990  0.6262 -0.1546000     1.252000  
1 1 1 18 13 33  o 10.990  0.7522 -1.364000      1.504000  
1 1 1 18 13 34  o 4.7100  1.2190 0.5246000      2.438000  
1 1 1 18 13 35  o 6.7500  1.1550 -1.478000      2.309000  
1 1 1 18 13 36  o 13.810  0.6612 1.288000       1.322000  
1 1 1 18 13 37  o 6.3170  1.2010 -1.331000      2.402000  
1 1 1 18 13 38  o 3.8510  1.1460 0.2636000E-01  2.293000  
1 1 1 18 13 39  o 10.640  0.8029 0.7929000      1.606000  
1 1 1 18 13 40  o 7.2490  1.1590 -0.7785000     2.318000  
1 1 1 18 13 41  f 4.2310  1.1950 1.772000       2.390000  
1 1 1 18 13 42  o 5.6890  1.2830 0.5324000      2.566000  
1 1 1 18 13 43  o 5.6250  1.2970 1.187000       2.594000  
1 1 1 18 13 44  o 4.9900  1.2970 0.3026000      2.594000  
1 1 1 18 13 45  o 4.8560  1.2350 -2.013000      2.470000  
1 1 1 18 13 46  f 7.3450  1.1890 2.237000       2.377000  
1 1 1 18 13 47  o 5.4550  1.3280 -2.157000      2.656000  
1 1 1 18 13 48  o 15.280  0.8946 1.726000       1.789000  
1 1 1 18 13 49  o 9.0240  1.3480 -2.262000      2.696000  
1 1 1 18 13 50  o 9.2780  1.2940 3.827000       2.587000  
1 1 1 18 13 51  o 4.4880  1.3550 0.6783000E-01  2.711000  
1 1 1 18 13 52  o 4.9130  1.4100 2.963000       2.821000  
1 1 1 18 13 53  o 12.610  1.0530 1.755000       2.106000  
1 1 1 18 13 54  o 6.2640  1.5400 0.4697000      3.080000  
1 1 1 18 13 55  o 5.4050  1.4770 -0.1024000     2.954000  
1 1 1 18 13 56  o 5.9660  1.4090 -1.993000      2.817000  
1 1 1 18 13 57  o 3.7660  1.2370 0.7150000      2.475000  
1 1 1 18 13 58  f 3.9120  1.2540 0.1570000      2.508000  
1 1 1 18 13 59  o 3.8540  1.2190 -0.4640000     2.439000  
1 1 1 18 13 60  o 3.6690  1.2330 1.321000       2.467000  
1 1 1 18 14 0   o 9.6150  0.8627 0.000000       0.000000  
1 1 1 18 14 1   o 13.480  0.4815 0.6306000      0.9630000 
1 1 1 18 14 2   o 6.7020  0.8843 -3.015000      1.769000  
1 1 1 18 14 3   o 6.1570  0.9368 -0.5278000     1.874000  
1 1 1 18 14 4   o 11.040  0.5563 1.113000       1.113000  
1 1 1 18 14 5   o 9.5620  0.6892 -1.412000      1.378000  
1 1 1 18 14 6   o 16.290  0.4922 0.5374000      0.9845000 
1 1 1 18 14 7   o 7.6330  1.0900 4.315000       2.180000  
1 1 1 18 14 8   o 9.5640  0.7283 -1.954000      1.457000  
1 1 1 18 14 9   o 19.130  0.5821 -0.9822000     1.164000  
1 1 1 18 14 10  o 7.8880  1.1160 3.439000       2.232000  
1 1 1 18 14 11  o 5.1860  1.0760 0.6268000      2.153000  
1 1 1 18 14 12  o 12.130  0.5893 0.6835000      1.179000  
1 1 1 18 14 13  o 10.340  0.7174 2.788000       1.435000  
1 1 1 18 14 14  o 9.4340  0.7500 0.6384000      1.500000  
1 1 1 18 14 15  o 8.6830  0.7946 -0.3933000     1.589000  
1 1 1 18 14 16  o 10.490  0.6759 -0.2021000     1.352000  
1 1 1 18 14 17  o 8.0550  0.8945 1.024000       1.789000  
1 1 1 18 14 18  f 20.290  0.4953 1.531000       0.9906000 
1 1 1 18 14 19  o 11.220  0.6589 -1.022000      1.318000  
1 1 1 18 14 20  o 13.660  0.5709 -1.134000      1.142000  
1 1 1 18 14 21  o 14.140  0.5712 -1.147000      1.142000  
1 1 1 18 14 22  o 19.520  0.5654 -1.373000      1.131000  
1 1 1 18 14 23  o 16.890  0.5826 1.806000       1.165000  
1 1 1 18 14 24  o 9.8350  1.1580 -7.582000      2.315000  
1 1 1 18 14 25  o 11.610  0.7349 1.038000       1.470000  
1 1 1 18 14 26  o 10.180  0.8018 -0.7710000     1.604000  
1 1 1 18 14 27  o 9.3940  0.8562 0.5214000      1.712000  
1 1 1 18 14 28  o 16.140  0.6007 1.037000       1.201000  
1 1 1 18 14 29  o 8.6570  0.9384 1.157000       1.877000  
1 1 1 18 14 30  o 4.8580  1.2270 0.1904000      2.453000  
1 1 1 18 14 31  o 7.4120  1.1000 0.9553000      2.200000  
1 1 1 18 14 32  o 4.3860  1.2140 -0.2900000     2.429000  
1 1 1 18 14 33  o 9.0300  0.9217 1.758000       1.843000  
1 1 1 18 14 34  o 10.170  0.8350 -1.717000      1.670000  
1 1 1 18 14 35  o 4.9800  1.2440 -1.125000      2.488000  
1 1 1 18 14 36  o 9.7400  0.8856 0.1947000      1.771000  
1 1 1 18 14 37  o 7.2260  1.1520 -1.954000      2.303000  
1 1 1 18 14 38  o 5.9940  1.2970 0.6170000      2.594000  
1 1 1 18 14 39  o 3.8650  1.1800 -0.4722000E-01 2.360000  
1 1 1 18 14 40  o 4.0500  1.2020 0.6528000      2.403000  
1 1 1 18 14 41  o 6.2830  1.2210 -2.643000      2.441000  
1 1 1 18 14 42  o 6.1830  1.2690 -2.008000      2.539000  
1 1 1 18 14 43  o 6.9140  1.2510 -0.1848000     2.502000  
1 1 1 18 14 44  o 7.8650  1.1470 -1.416000      2.293000  
1 1 1 18 14 45  o 3.5010  1.1210 -0.7179000     2.243000  
1 1 1 18 14 46  o 10.570  0.9266 0.3516000      1.853000  
1 1 1 18 14 47  o 3.9080  1.1960 0.5384000      2.393000  
1 1 1 18 14 48  o 6.3070  1.1900 -3.936000      2.381000  
1 1 1 18 14 49  o 3.8380  1.1730 0.9849000      2.346000  
1 1 1 18 14 50  o 4.4150  1.2560 1.037000       2.511000  
1 1 1 18 14 51  o 11.240  1.0970 -0.4251000     2.195000  
1 1 1 18 14 52  o 15.020  0.9580 -0.2970000     1.916000  
1 1 1 18 14 53  o 5.7550  1.5140 1.816000       3.029000  
1 1 1 18 14 54  o 3.4060  1.1470 0.1298000      2.293000  
1 1 1 18 14 55  o 3.6810  1.2000 -0.1781000     2.399000  
1 1 1 18 14 56  o 3.8270  1.2420 0.3475000      2.484000  
1 1 1 18 14 57  o 4.8060  1.3840 -0.7899000E-01 2.767000  
1 1 1 18 15 0   o 7.2360  1.2670 0.000000       0.000000  
1 1 1 18 15 1   o 11.260  0.5707 0.4386000      1.141000  
1 1 1 18 15 2   o 13.770  0.5033 0.2461000      1.007000  
1 1 1 18 15 3   o 13.050  0.5923 -3.953000      1.185000  
1 1 1 18 15 4   o 29.320  0.4982 -0.3580000     0.9965000 
1 1 1 18 15 5   o 19.560  0.5072 2.701000       1.014000  
1 1 1 18 15 6   o 18.720  0.4515 0.8294000      0.9030000 
1 1 1 18 15 7   f 17.900  0.4635 1.057000       0.9270000 
1 1 1 18 15 8   o 8.7260  1.0970 4.856000       2.194000  
1 1 1 18 15 9   o 6.1220  0.9734 4.938000       1.947000  
1 1 1 18 15 10  o 8.7150  0.8127 -0.1662000     1.625000  
1 1 1 18 15 11  o 11.640  0.6442 0.8552000      1.288000  
1 1 1 18 15 12  o 10.300  0.7276 1.281000       1.455000  
1 1 1 18 15 13  o 6.8290  1.0120 -0.2403000E-01 2.024000  
1 1 1 18 15 14  o 7.0800  0.9930 0.3025000      1.986000  
1 1 1 18 15 15  o 9.1360  0.8122 0.9828000      1.624000  
1 1 1 18 15 16  o 7.7440  0.9027 -1.804000      1.805000  
1 1 1 18 15 17  o 9.1340  0.7942 -0.3220000     1.588000  
1 1 1 18 15 18  f 5.9650  1.0980 -2.840000      2.196000  
1 1 1 18 15 19  o 17.710  0.5198 -1.873000      1.040000  
1 1 1 18 15 20  o 19.730  0.5323 2.413000       1.065000  
1 1 1 18 15 21  o 4.9850  1.3270 -1.723000      2.655000  
1 1 1 18 15 22  o 7.9610  0.9297 -0.3820000     1.859000  
1 1 1 18 15 23  o 16.100  0.6238 0.3959000      1.248000  
1 1 1 18 15 24  o 23.870  0.5936 0.7543000      1.187000  
1 1 1 18 15 25  o 5.7120  1.4550 2.235000       2.910000  
1 1 1 18 15 26  o 5.6300  1.2670 0.9252000      2.533000  
1 1 1 18 15 27  o 9.4830  0.9373 -2.368000      1.875000  
1 1 1 18 15 28  o 6.8640  1.1560 2.582000       2.313000  
1 1 1 18 15 29  o 8.8380  0.9532 -0.1187000     1.906000  
1 1 1 18 15 30  o 4.3500  1.2120 0.7931000      2.424000  
1 1 1 18 15 31  o 11.050  0.7940 -0.5065000E-01 1.588000  
1 1 1 18 15 32  o 5.3440  1.2750 -0.5387000     2.550000  
1 1 1 18 15 33  o 4.7700  1.2590 -0.1633000     2.517000  
1 1 1 18 15 34  o 10.520  0.8403 1.269000       1.681000  
1 1 1 18 15 35  o 6.6990  1.2380 -0.7501000     2.477000  
1 1 1 18 15 36  o 7.6280  1.1360 3.466000       2.271000  
1 1 1 18 15 37  o 9.8910  0.9394 -1.198000      1.879000  
1 1 1 18 15 38  o 6.1130  1.2730 -1.317000      2.546000  
1 1 1 18 15 39  o 7.6060  1.1770 2.453000       2.353000  
1 1 1 18 15 40  o 7.1040  1.2180 -2.494000      2.437000  
1 1 1 18 15 41  o 5.2690  1.2720 1.641000       2.544000  
1 1 1 18 15 42  o 5.0180  1.2740 1.388000       2.547000  
1 1 1 18 15 43  o 5.1480  1.2650 1.522000       2.530000  
1 1 1 18 15 44  f 5.5230  1.3020 0.7203000      2.605000  
1 1 1 18 15 45  o 5.6360  1.2840 1.142000       2.567000  
1 1 1 18 15 46  o 6.9340  1.2290 1.433000       2.458000  
1 1 1 18 15 47  o 6.9970  1.2750 1.844000       2.550000  
1 1 1 18 15 48  o 11.530  0.8837 -0.7345000E-01 1.767000  
1 1 1 18 15 49  o 7.0850  1.2910 -0.1764000     2.581000  
1 1 1 18 15 50  o 8.3280  1.1810 -1.443000      2.363000  
1 1 1 18 15 51  o 6.8880  1.2950 0.9342000      2.591000  
1 1 1 18 15 52  o 3.8060  1.1780 1.065000       2.356000  
1 1 1 18 15 53  o 4.2710  1.2600 1.653000       2.520000  
1 1 1 18 15 54  o 3.2900  1.0940 0.6218000      2.187000  
1 1 1 18 15 55  o 5.4250  1.4610 0.6493000      2.921000  
1 1 1 18 16 0   o 25.960  0.7907 -0.000000      0.000000  
1 1 1 18 16 1   o 19.690  0.5295 5.635000       1.059000  
1 1 1 18 16 2   o 19.950  0.4535 -1.139000      0.9070000 
1 1 1 18 16 3   o 11.290  0.6000 0.2962000      1.200000  
1 1 1 18 16 4   o 14.480  0.4963 -0.3005000     0.9926000 
1 1 1 18 16 5   o 8.2820  0.9402 4.372000       1.880000  
1 1 1 18 16 6   o 3.9700  1.0910 0.4642000      2.182000  
1 1 1 18 16 7   o 9.6860  0.6556 -0.1202000     1.311000  
1 1 1 18 16 8   o 6.7850  0.9299 0.9605000      1.860000  
1 1 1 18 16 9   o 8.4040  0.7404 -0.1282000     1.481000  
1 1 1 18 16 10  o 7.3100  0.9754 1.638000       1.951000  
1 1 1 18 16 11  o 9.1810  0.7965 1.408000       1.593000  
1 1 1 18 16 12  o 16.670  0.5332 2.602000       1.066000  
1 1 1 18 16 13  o 17.380  0.5279 -0.8159000     1.056000  
1 1 1 18 16 14  o 19.550  0.5148 0.8422000      1.030000  
1 1 1 18 16 15  o 8.9150  1.1100 7.002000       2.220000  
1 1 1 18 16 16  o 15.840  0.5772 1.776000       1.154000  
1 1 1 18 16 17  o 15.910  0.7393 2.885000       1.479000  
1 1 1 18 16 18  o 15.650  0.5747 -2.006000      1.149000  
1 1 1 18 16 19  o 9.7110  0.8257 -0.1364000     1.651000  
1 1 1 18 16 20  o 13.090  0.6672 1.033000       1.334000  
1 1 1 18 16 21  o 16.270  0.5698 -1.308000      1.140000  
1 1 1 18 16 22  o 16.450  0.5709 1.002000       1.142000  
1 1 1 18 16 23  o 7.5460  1.0010 -4.178000      2.002000  
1 1 1 18 16 24  o 4.3250  1.1800 -1.560000      2.361000  
1 1 1 18 16 25  o 4.4180  1.2430 0.2714000      2.486000  
1 1 1 18 16 26  o 11.040  0.8073 -0.3871000     1.615000  
1 1 1 18 16 27  o 5.1370  1.2680 -1.662000      2.536000  
1 1 1 18 16 28  o 5.9200  1.2780 -0.1711000     2.557000  
1 1 1 18 16 29  f 5.0770  1.2510 -1.279000      2.502000  
1 1 1 18 16 30  o 3.9920  1.1710 -1.227000      2.342000  
1 1 1 18 16 31  o 6.2870  1.2550 0.8499000      2.510000  
1 1 1 18 16 32  o 4.2410  1.2240 -0.2722000E-01 2.447000  
1 1 1 18 16 33  o 11.700  0.8001 -1.035000      1.600000  
1 1 1 18 16 34  o 8.9500  1.0140 -1.798000      2.028000  
1 1 1 18 16 35  o 9.3780  0.9959 2.031000       1.992000  
1 1 1 18 16 36  o 6.1020  1.2900 -0.6902000     2.579000  
1 1 1 18 16 37  o 3.9900  1.2000 0.6721000      2.400000  
1 1 1 18 16 38  o 4.5740  1.2460 -1.449000      2.493000  
1 1 1 18 16 39  o 3.4270  1.1020 0.1201000      2.203000  
1 1 1 18 16 40  o 4.6940  1.2720 -0.7882000     2.544000  
1 1 1 18 16 41  o 4.9010  1.2860 -1.172000      2.573000  
1 1 1 18 16 42  o 7.0480  1.2060 -1.534000      2.413000  
1 1 1 18 16 43  o 5.5480  1.2970 -0.9931000     2.595000  
1 1 1 18 16 44  o 6.5400  1.2530 -2.926000      2.505000  
1 1 1 18 16 45  o 7.3010  1.2690 1.592000       2.537000  
1 1 1 18 16 46  o 4.8180  1.3210 0.5686000      2.642000  
1 1 1 18 16 47  o 5.5790  1.3600 0.4562000      2.720000  
1 1 1 18 16 48  f 7.5590  1.2670 -0.6991000E-01 2.535000  
1 1 1 18 16 49  o 4.7160  1.2980 1.700000       2.597000  
1 1 1 18 16 50  o 5.7370  1.3660 -0.2771000     2.731000  
1 1 1 18 16 51  o 4.3740  1.2840 1.248000       2.568000  
1 1 1 18 16 52  o 3.4930  1.1190 -0.6239000     2.238000  
1 1 1 18 16 53  o 4.3940  2.1220 ?              ?         
1 1 1 18 17 0   o 14.200  0.7201 -0.000000      0.000000  
1 1 1 18 17 1   o 9.7410  0.7690 0.1449000      1.538000  
1 1 1 18 17 2   o 7.6850  0.8425 -2.097000      1.685000  
1 1 1 18 17 3   o 9.7810  0.6662 1.234000       1.332000  
1 1 1 18 17 4   o 6.7430  0.9429 -0.1678000     1.886000  
1 1 1 18 17 5   o 6.8740  1.0090 -1.628000      2.017000  
1 1 1 18 17 6   o 9.7110  0.6618 -0.1153000E-01 1.324000  
1 1 1 18 17 7   o 6.6130  0.9472 -1.053000      1.894000  
1 1 1 18 17 8   o 10.170  0.6332 -1.327000      1.266000  
1 1 1 18 17 9   o 7.6570  0.8286 0.6215000      1.657000  
1 1 1 18 17 10  o 3.6250  1.0500 0.5839000      2.100000  
1 1 1 18 17 11  o 8.7370  0.8375 0.1381000      1.675000  
1 1 1 18 17 12  o 9.6680  0.7375 -0.5097000     1.475000  
1 1 1 18 17 13  o 11.960  0.6288 -0.1500000     1.258000  
1 1 1 18 17 14  o 11.190  0.6796 -0.5849000E-01 1.359000  
1 1 1 18 17 15  o 13.350  0.8522 1.248000       1.704000  
1 1 1 18 17 16  o 28.430  0.6544 0.5325000      1.309000  
1 1 1 18 17 17  o 10.960  1.1590 8.647000       2.318000  
1 1 1 18 17 18  o 23.800  0.6308 -1.626000      1.262000  
1 1 1 18 17 19  o 10.390  1.2160 5.719000       2.432000  
1 1 1 18 17 20  o 8.3610  0.9282 -2.233000      1.856000  
1 1 1 18 17 21  o 16.910  0.6869 1.153000       1.374000  
1 1 1 18 17 22  o 8.1820  1.1230 -1.335000      2.246000  
1 1 1 18 17 23  o 5.5770  1.1720 0.6550000      2.344000  
1 1 1 18 17 24  o 6.8850  1.0720 2.573000       2.143000  
1 1 1 18 17 25  o 4.2850  1.1720 -0.9648000     2.343000  
1 1 1 18 17 26  f 7.3390  1.2830 -2.403000      2.566000  
1 1 1 18 17 27  o 5.1920  1.2730 1.097000       2.547000  
1 1 1 18 17 28  o 15.990  0.6337 -0.6306000     1.267000  
1 1 1 18 17 29  o 7.9980  1.1030 -1.876000      2.205000  
1 1 1 18 17 30  o 6.7750  1.2080 -0.3884000     2.415000  
1 1 1 18 17 31  o 9.1350  0.9985 -1.890000      1.997000  
1 1 1 18 17 32  o 15.060  0.6685 -0.5587000     1.337000  
1 1 1 18 17 33  o 6.3400  1.2510 -2.640000      2.502000  
1 1 1 18 17 34  o 7.4210  1.2180 0.1886000      2.436000  
1 1 1 18 17 35  o 7.4490  1.1900 -2.772000      2.380000  
1 1 1 18 17 36  o 9.2610  1.0250 2.552000       2.051000  
1 1 1 18 17 37  o 7.2770  1.2130 2.260000       2.426000  
1 1 1 18 17 38  o 4.3300  1.2490 -0.9733000E-01 2.498000  
1 1 1 18 17 39  o 4.1460  1.2130 -0.9815000     2.426000  
1 1 1 18 17 40  o 6.4880  1.2760 -2.116000      2.551000  
1 1 1 18 17 41  o 4.1530  1.2260 -0.4585000     2.453000  
1 1 1 18 17 42  o 3.5530  1.1270 -1.210000      2.255000  
1 1 1 18 17 43  o 4.6080  1.2640 1.338000       2.528000  
1 1 1 18 17 44  o 3.1760  1.0540 0.4730000      2.108000  
1 1 1 18 17 45  o 4.4120  1.2240 -2.034000      2.449000  
1 1 1 18 17 46  o 4.9830  1.2910 -1.281000      2.582000  
1 1 1 18 17 47  o 3.6730  1.1160 1.906000       2.233000  
1 1 1 18 17 48  o 4.1910  1.2380 1.545000       2.477000  
1 1 1 18 17 49  o 3.3180  1.0970 0.1262000      2.193000  
1 1 1 18 17 50  f 4.1940  1.7400 ?              ?         
1 1 1 18 18 0   o 12.960  0.7843 0.000000       0.000000  
1 1 1 18 18 1   o 7.6150  0.8629 0.5469000      1.726000  
1 1 1 18 18 2   f 10.840  0.6254 -1.009000      1.251000  
1 1 1 18 18 3   o 9.6850  0.6745 -0.4768000     1.349000  
1 1 1 18 18 4   o 8.5460  0.7770 -0.1688000     1.554000  
1 1 1 18 18 5   o 9.1190  0.7343 1.857000       1.469000  
1 1 1 18 18 6   o 5.9600  1.0560 -0.4275000     2.113000  
1 1 1 18 18 7   f 8.7220  0.7484 -0.4104000     1.497000  
1 1 1 18 18 8   o 12.660  0.6118 -0.7061000     1.224000  
1 1 1 18 18 9   o 6.9270  0.9331 -1.441000      1.866000  
1 1 1 18 18 10  o 12.770  0.5513 0.1135000E-01  1.103000  
1 1 1 18 18 11  o 10.700  0.6438 -0.7253000E-01 1.288000  
1 1 1 18 18 12  o 10.880  0.9672 2.039000       1.934000  
1 1 1 18 18 13  o 10.100  0.7898 1.464000       1.580000  
1 1 1 18 18 14  o 15.190  0.5812 0.8258000      1.162000  
1 1 1 18 18 15  o 18.120  0.5441 -0.5657000     1.088000  
1 1 1 18 18 16  o 8.2310  1.1770 2.915000       2.354000  
1 1 1 18 18 17  o 12.490  0.6601 0.3895000      1.320000  
1 1 1 18 18 18  o 4.8870  1.2090 -1.186000      2.418000  
1 1 1 18 18 19  o 3.6160  1.0900 0.4261000      2.179000  
1 1 1 18 18 20  o 10.160  0.8657 2.827000       1.731000  
1 1 1 18 18 21  o 5.2320  1.2050 -1.618000      2.409000  
1 1 1 18 18 22  o 5.5960  1.1580 1.637000       2.316000  
1 1 1 18 18 23  o 12.850  0.8728 1.911000       1.746000  
1 1 1 18 18 24  o 7.4200  1.0580 0.7267000      2.116000  
1 1 1 18 18 25  o 6.6280  1.0800 2.781000       2.161000  
1 1 1 18 18 26  o 5.7390  1.1860 0.1535000      2.372000  
1 1 1 18 18 27  o 4.7310  1.2570 -2.019000      2.514000  
1 1 1 18 18 28  o 4.1350  1.2030 0.7859000      2.406000  
1 1 1 18 18 29  o 3.9760  1.1570 -2.315000      2.315000  
1 1 1 18 18 30  o 17.160  0.7105 -1.108000      1.421000  
1 1 1 18 18 31  o 10.780  0.8644 -0.6440000     1.729000  
1 1 1 18 18 32  o 15.540  0.6820 -0.2296000     1.364000  
1 1 1 18 18 33  o 10.530  0.9209 -0.4222000     1.842000  
1 1 1 18 18 34  o 5.4510  1.2880 1.366000       2.576000  
1 1 1 18 18 35  o 8.7220  1.0630 1.182000       2.125000  
1 1 1 18 18 36  o 5.2840  1.3080 -0.2340000     2.616000  
1 1 1 18 18 37  o 3.4120  1.0970 -1.478000      2.194000  
1 1 1 18 18 38  o 5.0070  1.3150 -0.9907000     2.630000  
1 1 1 18 18 39  o 3.5440  1.1330 0.5458000E-01  2.266000  
1 1 1 18 18 40  o 3.3500  1.0930 -0.3203000     2.185000  
1 1 1 18 18 41  o 2.8040  0.9644 0.2707000E-01  1.929000  
1 1 1 18 18 42  f 3.2310  1.0640 0.9817000E-01  2.129000  
1 1 1 18 18 43  o 3.1520  1.0410 0.7163000      2.082000  
1 1 1 18 18 44  o 4.8960  1.2600 -0.9255000     2.520000  
1 1 1 18 18 45  o 4.6800  1.3050 0.5484000      2.611000  
1 1 1 18 18 46  f 5.2200  1.8230 ?              ?         
1 1 1 18 18 47  o 4.1480  1.9530 ?              ?         
1 1 1 18 19 0   o 10.820  0.9160 -0.000000      0.000000  
1 1 1 18 19 1   o 12.360  0.5940 1.315000       1.188000  
1 1 1 18 19 2   o 7.5990  0.8901 -0.1251000     1.780000  
1 1 1 18 19 3   o 7.7770  0.8830 1.282000       1.766000  
1 1 1 18 19 4   o 8.8390  0.7708 0.7280000      1.542000  
1 1 1 18 19 5   o 16.110  0.4952 -0.3156000     0.9903000 
1 1 1 18 19 6   o 11.110  0.6317 -0.3751000     1.263000  
1 1 1 18 19 7   o 5.9790  1.1160 0.8760000      2.232000  
1 1 1 18 19 8   o 5.6280  1.0900 -0.6719000     2.180000  
1 1 1 18 19 9   o 7.3580  0.8875 -1.080000      1.775000  
1 1 1 18 19 10  o 4.3380  1.1240 1.310000       2.248000  
1 1 1 18 19 11  o 5.8250  1.0730 0.4600000      2.146000  
1 1 1 18 19 12  o 7.5560  0.8723 -0.6225000     1.745000  
1 1 1 18 19 13  o 8.8550  0.8351 -1.396000      1.670000  
1 1 1 18 19 14  o 3.6690  1.1070 -0.1820000     2.214000  
1 1 1 18 19 15  o 4.8070  1.1780 -1.781000      2.356000  
1 1 1 18 19 16  o 6.1560  1.2250 1.137000       2.450000  
1 1 1 18 19 17  f 12.420  0.6700 1.594000       1.340000  
1 1 1 18 19 18  o 11.980  0.7154 1.992000       1.431000  
1 1 1 18 19 19  o 4.8470  1.3350 0.3611000      2.669000  
1 1 1 18 19 20  o 11.240  0.7405 0.7789000      1.481000  
1 1 1 18 19 21  o 6.3610  1.1290 1.566000       2.258000  
1 1 1 18 19 22  o 4.9910  1.1610 1.877000       2.322000  
1 1 1 18 19 23  o 4.3530  1.1900 -1.001000      2.379000  
1 1 1 18 19 24  o 3.2920  1.0480 -0.6516000     2.096000  
1 1 1 18 19 25  o 7.0420  1.0900 -1.853000      2.181000  
1 1 1 18 19 26  o 4.1610  1.1750 -0.6274000     2.349000  
1 1 1 18 19 27  o 5.0350  1.2210 1.256000       2.442000  
1 1 1 18 19 28  o 5.0620  1.0640 3.020000       2.127000  
1 1 1 18 19 29  o 7.1610  1.2330 1.085000       2.466000  
1 1 1 18 19 30  o 12.600  0.7924 1.833000       1.585000  
1 1 1 18 19 31  o 20.130  0.6115 -1.055000      1.223000  
1 1 1 18 19 32  o 8.1330  1.1750 -0.6813000     2.351000  
1 1 1 18 19 33  o 7.1380  1.2650 -0.1117000     2.529000  
1 1 1 18 19 34  o 13.850  0.7633 1.118000       1.527000  
1 1 1 18 19 35  o 4.5640  1.2570 -2.822000      2.514000  
1 1 1 18 19 36  o 10.930  0.8685 0.1974000      1.737000  
1 1 1 18 19 37  o 4.4150  1.2240 1.645000       2.448000  
1 1 1 18 19 38  o 10.770  0.8728 -0.6519000     1.746000  
1 1 1 18 19 39  o 6.2300  1.2910 -0.6866000     2.581000  
1 1 1 18 19 40  o 4.1440  1.2130 -0.1460000E-01 2.427000  
1 1 1 18 19 41  o 5.2570  1.3330 -0.1530000     2.666000  
1 1 1 18 19 42  f 4.3360  1.3050 -0.5851000     2.609000  
1 1 1 18 19 43  o 4.0750  1.9170 ?              ?         
1 1 1 18 20 0   o 5.5110  1.8620 0.000000       0.000000  
1 1 1 18 20 1   o 9.6150  0.7311 -1.161000      1.462000  
1 1 1 18 20 2   o 4.9350  1.1400 -0.6053000     2.280000  
1 1 1 18 20 3   o 5.5940  1.0690 -1.996000      2.139000  
1 1 1 18 20 4   o 10.950  0.6608 1.128000       1.322000  
1 1 1 18 20 5   o 7.8350  0.8621 0.4778000      1.724000  
1 1 1 18 20 6   o 6.7250  1.0980 -0.7496000     2.195000  
1 1 1 18 20 7   o 11.240  0.6338 0.1652000      1.268000  
1 1 1 18 20 8   o 6.5790  1.0130 -0.1667000     2.026000  
1 1 1 18 20 9   o 7.1440  1.0670 0.5999000      2.134000  
1 1 1 18 20 10  o 8.1520  0.8604 1.747000       1.721000  
1 1 1 18 20 11  o 5.7640  1.1840 -0.7886000E-01 2.368000  
1 1 1 18 20 12  o 5.1840  1.0540 -3.069000      2.107000  
1 1 1 18 20 13  o 7.1900  0.9797 0.5286000      1.959000  
1 1 1 18 20 14  o 4.7380  1.1390 0.8009000      2.279000  
1 1 1 18 20 15  o 5.1930  1.2250 0.1640000      2.451000  
1 1 1 18 20 16  o 5.9890  1.2570 1.543000       2.514000  
1 1 1 18 20 17  o 4.0560  1.1540 0.1258000      2.309000  
1 1 1 18 20 18  o 4.2820  1.2440 -0.4114000     2.489000  
1 1 1 18 20 19  o 6.2700  1.1450 1.742000       2.289000  
1 1 1 18 20 20  o 6.2810  1.1800 -0.9615000     2.361000  
1 1 1 18 20 21  o 12.540  0.8528 1.074000       1.706000  
1 1 1 18 20 22  f 5.0040  1.2480 -1.758000      2.495000  
1 1 1 18 20 23  o 5.1640  1.2560 0.7252000      2.512000  
1 1 1 18 20 24  o 6.7470  1.1050 2.556000       2.209000  
1 1 1 18 20 25  o 3.7450  1.1250 -0.5417000     2.249000  
1 1 1 18 20 26  f 3.8930  1.1540 0.4464000      2.309000  
1 1 1 18 20 27  o 7.7040  1.0640 -1.187000      2.127000  
1 1 1 18 20 28  o 7.1720  1.1350 4.402000       2.269000  
1 1 1 18 20 29  o 7.9730  1.0300 -1.037000      2.060000  
1 1 1 18 20 30  o 3.4570  1.1130 -0.4326000     2.226000  
1 1 1 18 20 31  o 3.9320  1.1900 0.8327000E-01  2.380000  
1 1 1 18 20 32  o 3.3570  1.0900 0.2053000      2.179000  
1 1 1 18 20 33  o 6.1650  1.2760 -2.644000      2.552000  
1 1 1 18 20 34  o 3.4030  1.1080 -0.1351000     2.217000  
1 1 1 18 20 35  o 9.6240  1.0210 -1.679000      2.043000  
1 1 1 18 20 36  o 7.7840  1.1900 3.307000       2.380000  
1 1 1 18 20 37  o 5.8830  1.4930 0.1418000      2.986000  
1 1 1 18 20 38  o 6.6620  2.3270 ?              ?         
1 1 1 18 21 0   o 9.1510  1.1160 -0.000000      0.000000  
1 1 1 18 21 1   o 5.2930  1.1370 1.441000       2.273000  
1 1 1 18 21 2   o 4.2810  1.0940 1.978000       2.188000  
1 1 1 18 21 3   o 8.7880  0.8227 2.287000       1.645000  
1 1 1 18 21 4   o 10.260  0.7236 -0.8896000     1.447000  
1 1 1 18 21 5   o 15.060  0.5469 -0.9620000     1.094000  
1 1 1 18 21 6   o 6.8110  1.0480 3.404000       2.095000  
1 1 1 18 21 7   o 4.1240  1.1240 -0.5089000     2.247000  
1 1 1 18 21 8   o 6.3710  1.1000 2.434000       2.199000  
1 1 1 18 21 9   f 7.6140  0.9519 3.041000       1.904000  
1 1 1 18 21 10  o 5.4450  1.1790 1.163000       2.359000  
1 1 1 18 21 11  o 6.5630  1.0690 -0.7573000     2.139000  
1 1 1 18 21 12  o 9.6390  0.8026 0.8915000      1.605000  
1 1 1 18 21 13  f 8.3730  0.8494 1.076000       1.699000  
1 1 1 18 21 14  o 4.6000  1.1970 0.2570000      2.394000  
1 1 1 18 21 15  o 7.4000  0.9538 -0.3838000     1.908000  
1 1 1 18 21 16  o 4.7410  1.2800 -0.7082000     2.561000  
1 1 1 18 21 17  o 5.2710  1.2420 -0.6706000     2.484000  
1 1 1 18 21 18  o 3.8540  1.1890 -0.4773000     2.378000  
1 1 1 18 21 19  o 6.2570  1.1200 2.262000       2.241000  
1 1 1 18 21 20  o 5.4290  1.2220 -0.6339000     2.445000  
1 1 1 18 21 21  o 5.0300  1.2300 -1.463000      2.460000  
1 1 1 18 21 22  o 4.3530  1.1600 -2.822000      2.321000  
1 1 1 18 21 23  o 4.1500  1.1950 0.5651000      2.389000  
1 1 1 18 21 24  o 3.9130  1.1620 -0.6853000     2.324000  
1 1 1 18 21 25  o 5.3810  1.2090 1.772000       2.418000  
1 1 1 18 21 26  f 4.6780  1.2160 -2.023000      2.433000  
1 1 1 18 21 27  o 4.9720  1.3130 -0.8942000     2.626000  
1 1 1 18 21 28  o 3.5420  1.0850 0.7534000      2.169000  
1 1 1 18 21 29  o 3.8470  1.1740 -0.2262000E-01 2.349000  
1 1 1 18 21 30  o 6.0880  1.2210 -0.9300000     2.442000  
1 1 1 18 21 31  o 3.9830  1.2100 0.8573000      2.419000  
1 1 1 18 21 32  o 3.7730  1.2400 -0.6092000     2.481000  
1 1 1 18 22 0   o 12.710  0.8919 0.000000       0.000000  
1 1 1 18 22 1   o 6.3860  1.0920 2.498000       2.184000  
1 1 1 18 22 2   o 8.3210  0.9105 -1.824000      1.821000  
1 1 1 18 22 3   o 5.1180  1.1860 0.5252000      2.372000  
1 1 1 18 22 4   o 6.1460  1.1480 -0.3592000     2.296000  
1 1 1 18 22 5   o 3.5310  1.0930 -0.7796000     2.187000  
1 1 1 18 22 6   o 6.4660  1.0740 -1.568000      2.148000  
1 1 1 18 22 7   o 7.3960  1.0450 2.739000       2.089000  
1 1 1 18 22 8   o 9.2200  0.7643 0.8027000      1.529000  
1 1 1 18 22 9   o 7.7660  0.9229 1.689000       1.846000  
1 1 1 18 22 10  o 7.6840  0.9264 -1.095000      1.853000  
1 1 1 18 22 11  o 3.9960  1.1560 -0.1390000     2.312000  
1 1 1 18 22 12  f 6.0300  1.0920 -1.586000      2.183000  
1 1 1 18 22 13  o 4.4130  1.1400 1.107000       2.279000  
1 1 1 18 22 14  o 5.1110  1.1330 0.8158000      2.266000  
1 1 1 18 22 15  o 8.2110  0.9913 1.635000       1.983000  
1 1 1 18 22 16  o 4.2090  1.1520 0.4625000      2.305000  
1 1 1 18 22 17  o 8.3870  1.1200 2.050000       2.240000  
1 1 1 18 22 18  o 4.8970  1.1910 1.484000       2.383000  
1 1 1 18 22 19  o 3.9750  1.1550 -0.1255000     2.310000  
1 1 1 18 22 20  o 7.0950  1.2150 1.468000       2.430000  
1 1 1 18 22 21  o 4.0360  1.1380 0.8493000      2.276000  
1 1 1 18 22 22  o 4.1870  1.1810 0.7474000      2.363000  
1 1 1 18 22 23  f 10.220  0.8976 2.899000       1.795000  
1 1 1 18 22 24  o 7.3470  1.7730 ?              ?         
1 1 1 18 23 0   o 5.6200  1.9160 -0.000000      0.000000  
1 1 1 18 23 1   o 3.6630  1.0790 0.5984000      2.157000  
1 1 1 18 23 2   o 3.7800  1.0740 1.234000       2.147000  
1 1 1 18 23 3   o 3.1990  1.0130 0.1499000E-01  2.025000  
1 1 1 18 23 4   o 3.3830  1.0500 0.9483000E-01  2.099000  
1 1 1 18 23 5   o 5.2440  1.1670 0.3075000      2.333000  
1 1 1 18 23 6   o 5.1540  1.1560 0.8998000      2.311000  
1 1 1 18 23 7   o 4.9910  1.2010 -1.222000      2.402000  
1 1 1 18 23 8   o 4.3470  1.1200 -1.917000      2.239000  
1 1 1 18 23 9   o 4.5660  1.1570 -0.9791000     2.314000  
1 1 1 18 23 10  o 4.7430  1.2360 1.127000       2.472000  
1 1 1 18 23 11  o 6.4180  1.3360 2.999000       2.673000  
1 1 1 18 23 12  o 5.8450  1.4370 0.9898000      2.873000  
1 1 1 18 23 13  o 5.2870  1.6230 0.1419000      3.245000  
1 1 1 18 23 14  o 4.4490  2.0900 ?              ?         
1 1 1 19 0  2   o 24.790  0.7406 0.000000       0.000000  
1 1 1 19 0  3   o 30.810  0.8913 0.000000       0.000000  
1 1 1 19 0  4   o 41.900  1.1920 0.000000       0.000000  
1 1 1 19 0  7   o 19.080  0.8488 -0.000000      0.000000  
1 1 1 19 0  8   f 45.190  1.8160 0.000000       0.000000  
1 1 1 19 0  9   o 29.780  1.2180 0.000000       0.000000  
1 1 1 19 0  10  o 27.180  1.1340 0.000000       0.000000  
1 1 1 19 0  11  o 16.290  0.8282 0.000000       0.000000  
1 1 1 19 0  12  o 32.930  1.3480 0.000000       0.000000  
1 1 1 19 0  13  o 10.510  0.9153 0.000000       0.000000  
1 1 1 19 0  15  o 34.060  1.4220 0.000000       0.000000  
1 1 1 19 0  16  o 9.5040  1.2210 0.000000       0.000000  
1 1 1 19 0  17  o 42.540  1.7980 0.000000       0.000000  
1 1 1 19 0  28  o 2.4490  1.4030 0.000000       0.000000  
1 1 1 19 0  29  o 24.020  1.0110 0.000000       0.000000  
1 1 1 19 0  30  o 10.090  0.7358 0.000000       0.000000  
1 1 1 19 0  31  o 5.7990  1.1250 0.000000       0.000000  
1 1 1 19 0  32  o 1.7610  1.1850 0.000000       0.000000  
1 1 1 19 0  33  o 6.3610  1.2370 0.000000       0.000000  
1 1 1 19 0  34  o 5.6150  1.6610 0.000000       0.000000  
1 1 1 19 0  35  o 24.640  1.0720 0.000000       0.000000  
1 1 1 19 0  36  o 11.290  1.0190 0.000000       0.000000  
1 1 1 19 0  37  o 14.410  0.9642 0.000000       0.000000  
1 1 1 19 0  38  o 8.8630  1.3910 0.000000       0.000000  
1 1 1 19 0  39  o 6.7060  1.9270 0.000000       0.000000  
1 1 1 19 0  40  o 16.690  1.0030 0.000000       0.000000  
1 1 1 19 0  41  o 7.8670  1.8610 0.000000       0.000000  
1 1 1 19 0  42  f 19.240  1.0620 0.000000       0.000000  
1 1 1 19 0  43  o 4.0420  2.2660 0.000000       0.000000  
1 1 1 19 0  44  o 18.890  1.1320 0.000000       0.000000  
1 1 1 19 0  45  o 11.260  1.5390 0.000000       0.000000  
1 1 1 19 0  46  o 10.510  1.8350 0.000000       0.000000  
1 1 1 19 0  47  f 17.410  1.2300 0.000000       0.000000  
1 1 1 19 0  48  o 5.3590  2.5940 0.000000       0.000000  
1 1 1 19 0  49  f 5.3100  2.6070 0.000000       0.000000  
1 1 1 19 0  50  o 4.4950  2.5070 0.000000       0.000000  
1 1 1 19 0  51  o 4.3590  2.4980 0.000000       0.000000  
1 1 1 19 0  52  o 17.960  1.3810 0.000000       0.000000  
1 1 1 19 0  53  o 4.6490  2.7100 0.000000       0.000000  
1 1 1 19 0  54  f 7.4420  3.0380 0.000000       0.000000  
1 1 1 19 0  55  o 3.4920  2.3330 0.000000       0.000000  
1 1 1 19 0  56  o 7.1120  3.1170 0.000000       0.000000  
1 1 1 19 0  57  o 4.3530  2.6830 0.000000       0.000000  
1 1 1 19 0  58  o 3.3120  2.2820 0.000000       0.000000  
1 1 1 19 0  59  o 3.9490  2.5810 0.000000       0.000000  
1 1 1 19 0  60  f 4.0150  2.5990 0.000000       0.000000  
1 1 1 19 0  61  o 2.4710  1.7900 0.000000       0.000000  
1 1 1 19 0  62  o 2.7190  1.9370 0.000000       0.000000  
1 1 1 19 0  63  o 3.6350  2.4070 0.000000       0.000000  
1 1 1 19 0  65  o 3.3060  2.2730 0.000000       0.000000  
1 1 1 19 0  66  o 3.3170  2.2430 0.000000       0.000000  
1 1 1 19 0  67  o 2.7470  1.9340 0.000000       0.000000  
1 1 1 19 0  68  o 3.8980  2.5080 0.000000       0.000000  
1 1 1 19 1  0   o 36.490  1.0350 0.000000       0.000000  
1 1 1 19 1  1   o 21.980  0.4818 1.356000       0.9636000 
1 1 1 19 1  2   o 35.950  0.7238 0.7945000      1.448000  
1 1 1 19 1  3   o 19.630  0.6322 ?              ?         
1 1 1 19 1  4   o 36.030  0.7250 -0.7719000     1.450000  
1 1 1 19 1  5   o 23.110  0.6136 -1.331000      1.227000  
1 1 1 19 1  6   o 53.040  1.3270 -1.031000      2.654000  
1 1 1 19 1  7   o 39.460  0.9889 -1.941000      1.978000  
1 1 1 19 1  8   o 31.530  1.2920 ?              ?         
1 1 1 19 1  9   o 18.310  0.5133 0.5470000      1.027000  
1 1 1 19 1  10  o 42.090  1.2350 0.5951000E-01  2.469000  
1 1 1 19 1  11  o 31.310  1.3050 ?              ?         
1 1 1 19 1  12  o 29.790  1.2510 ?              ?         
1 1 1 19 1  13  o 15.610  0.9053 ?              ?         
1 1 1 19 1  14  o 24.830  1.0930 ?              ?         
1 1 1 19 1  15  o 21.780  1.0250 ?              ?         
1 1 1 19 1  16  o 31.690  1.3330 ?              ?         
1 1 1 19 1  18  o 17.220  1.0170 ?              ?         
1 1 1 19 1  19  o 11.830  1.2390 ?              ?         
1 1 1 19 1  20  o 13.350  1.1940 ?              ?         
1 1 1 19 1  21  o 7.4900  1.9620 ?              ?         
1 1 1 19 1  22  o 11.700  1.4440 ?              ?         
1 1 1 19 1  23  o 12.190  1.4480 ?              ?         
1 1 1 19 1  24  o 6.8710  1.2110 1.041000       2.422000  
1 1 1 19 1  25  o 10.930  0.8732 -3.186000      1.746000  
1 1 1 19 1  26  o 7.7810  1.2130 -0.9753000     2.427000  
1 1 1 19 1  27  o 20.660  0.8845 ?              ?         
1 1 1 19 1  28  o 19.420  0.8442 ?              ?         
1 1 1 19 1  29  o 13.790  0.7339 ?              ?         
1 1 1 19 1  30  o 12.270  0.7453 ?              ?         
1 1 1 19 1  31  o 22.190  0.9700 ?              ?         
1 1 1 19 1  32  o 8.2510  0.6892 3.247000       1.378000  
1 1 1 19 1  33  o 16.120  0.5857 -1.820000      1.171000  
1 1 1 19 1  34  o 15.320  0.5954 -1.053000      1.191000  
1 1 1 19 1  35  o 8.0180  0.8412 -0.7899000     1.682000  
1 1 1 19 1  36  o 10.950  0.7152 -1.121000      1.430000  
1 1 1 19 1  37  o 8.3650  0.9357 -0.1119000     1.871000  
1 1 1 19 1  38  o 18.770  0.7050 1.881000       1.410000  
1 1 1 19 1  39  o 16.010  0.7073 -0.1206000     1.415000  
1 1 1 19 1  40  o 15.690  0.7191 -1.093000      1.438000  
1 1 1 19 1  41  o 15.830  0.7400 -0.9567000     1.480000  
1 1 1 19 1  42  o 5.6050  1.3250 2.127000       2.650000  
1 1 1 19 1  43  o 9.0810  1.1230 -0.2154000     2.245000  
1 1 1 19 1  44  o 7.0620  1.3550 2.518000       2.711000  
1 1 1 19 1  45  o 19.980  0.8361 0.2042000      1.672000  
1 1 1 19 1  46  o 12.370  1.0160 -1.329000      2.032000  
1 1 1 19 1  47  o 6.9420  1.5120 0.2905000      3.024000  
1 1 1 19 1  48  o 6.0590  1.5130 1.455000       3.026000  
1 1 1 19 1  49  o 8.7590  1.4020 2.193000       2.804000  
1 1 1 19 1  50  o 5.0880  1.4860 -0.1067000     2.973000  
1 1 1 19 1  51  o 5.6370  1.5840 -1.563000      3.168000  
1 1 1 19 1  52  o 7.6600  1.6900 -0.1861000E-01 3.381000  
1 1 1 19 1  53  o 4.6990  1.4920 0.8332000E-02  2.984000  
1 1 1 19 1  54  o 12.880  1.4240 4.359000       2.848000  
1 1 1 19 1  55  o 4.7620  1.4820 1.484000       2.963000  
1 1 1 19 1  56  o 12.520  1.5490 4.388000       3.097000  
1 1 1 19 1  57  o 6.4670  1.7640 1.958000       3.529000  
1 1 1 19 1  58  o 8.7820  1.6530 5.998000       3.307000  
1 1 1 19 1  59  o 5.7810  2.4490 ?              ?         
1 1 1 19 1  60  o 5.5790  1.7020 1.279000       3.404000  
1 1 1 19 1  61  o 4.2630  1.4390 0.3267000      2.879000  
1 1 1 19 1  62  o 4.4550  1.4900 0.7815000      2.980000  
1 1 1 19 1  63  o 6.6220  1.8640 -1.628000      3.728000  
1 1 1 19 1  64  o 4.3230  1.4680 0.5674000      2.937000  
1 1 1 19 1  65  o 3.7510  1.3110 -0.1225000     2.622000  
1 1 1 19 1  66  o 4.3230  1.4390 -0.3967000     2.879000  
1 1 1 19 1  67  o 4.3880  1.4410 -0.2984000     2.882000  
1 1 1 19 1  68  o 3.8790  1.8540 ?              ?         
1 1 1 19 2  0   o 24.910  0.6610 0.000000       0.000000  
1 1 1 19 2  1   f 11.800  0.5253 -1.137000      1.051000  
1 1 1 19 2  2   o 31.150  0.6155 0.3419000      1.231000  
1 1 1 19 2  3   o 17.950  0.6002 ?              ?         
1 1 1 19 2  4   o 32.180  0.7500 2.148000       1.500000  
1 1 1 19 2  5   o 30.480  0.7822 -1.160000      1.564000  
1 1 1 19 2  6   o 22.320  0.6513 -7.269000      1.303000  
1 1 1 19 2  7   o 13.960  0.4839 -1.340000      0.9678000 
1 1 1 19 2  8   o 43.110  1.2530 1.612000       2.506000  
1 1 1 19 2  9   o 42.950  1.2520 0.1675000      2.505000  
1 1 1 19 2  10  o 24.910  0.8515 -19.03000      1.703000  
1 1 1 19 2  11  o 22.930  0.7400 5.955000       1.480000  
1 1 1 19 2  12  o 28.370  1.2090 ?              ?         
1 1 1 19 2  13  o 21.060  0.9993 ?              ?         
1 1 1 19 2  14  o 23.500  1.0620 ?              ?         
1 1 1 19 2  15  o 19.200  0.9964 ?              ?         
1 1 1 19 2  16  o 49.850  2.0640 ?              ?         
1 1 1 19 2  17  o 32.120  1.3710 ?              ?         
1 1 1 19 2  18  o 45.630  1.9030 ?              ?         
1 1 1 19 2  19  o 34.870  1.4830 ?              ?         
1 1 1 19 2  21  o 33.580  1.0020 1.615000       2.005000  
1 1 1 19 2  22  o 21.420  0.7555 2.938000       1.511000  
1 1 1 19 2  23  o 12.060  0.8476 -0.1197000     1.695000  
1 1 1 19 2  24  o 26.010  0.8392 -1.392000      1.678000  
1 1 1 19 2  25  o 4.9120  1.1620 1.302000       2.324000  
1 1 1 19 2  26  o 10.270  0.9679 -2.544000      1.936000  
1 1 1 19 2  27  o 26.850  0.8689 -2.977000      1.738000  
1 1 1 19 2  28  o 10.150  1.0970 -0.5422000     2.194000  
1 1 1 19 2  29  o 24.430  0.8613 -1.314000      1.723000  
1 1 1 19 2  30  o 22.790  0.8712 3.042000       1.742000  
1 1 1 19 2  31  o 15.000  1.0220 2.981000       2.044000  
1 1 1 19 2  32  o 28.620  0.9839 -1.428000      1.968000  
1 1 1 19 2  33  o 23.290  0.9497 2.823000       1.899000  
1 1 1 19 2  34  o 16.570  0.9322 ?              ?         
1 1 1 19 2  35  o 8.5360  0.8699 -1.988000      1.740000  
1 1 1 19 2  36  o 10.020  0.7377 0.7136000      1.475000  
1 1 1 19 2  37  o 17.110  0.6602 0.6126000      1.320000  
1 1 1 19 2  38  o 10.240  0.8164 1.029000       1.633000  
1 1 1 19 2  39  o 15.810  0.7036 -0.7051000     1.407000  
1 1 1 19 2  40  o 8.9060  1.0560 -0.5516000     2.111000  
1 1 1 19 2  41  o 11.080  0.8825 1.482000       1.765000  
1 1 1 19 2  42  o 3.7260  1.1740 -0.3015000     2.348000  
1 1 1 19 2  43  o 5.8940  1.3520 1.142000       2.704000  
1 1 1 19 2  44  o 5.2780  1.3810 0.6308000      2.761000  
1 1 1 19 2  45  o 8.8510  1.2330 2.208000       2.466000  
1 1 1 19 2  46  o 7.3540  1.4220 1.286000       2.845000  
1 1 1 19 2  47  o 12.800  1.0750 0.7163000      2.149000  
1 1 1 19 2  48  f 7.9460  1.4460 4.182000       2.892000  
1 1 1 19 2  49  o 10.830  1.3510 1.707000       2.703000  
1 1 1 19 2  50  o 11.450  1.3770 1.325000       2.754000  
1 1 1 19 2  51  o 7.9530  1.4410 5.639000       2.882000  
1 1 1 19 2  52  o 8.4530  1.6310 0.9161000      3.263000  
1 1 1 19 2  53  o 10.510  1.5250 2.548000       3.050000  
1 1 1 19 2  54  o 6.5580  2.3410 ?              ?         
1 1 1 19 2  55  o 7.9380  1.7950 -0.1333000     3.591000  
1 1 1 19 2  56  f 4.9960  1.5870 -0.7036000     3.175000  
1 1 1 19 2  57  o 8.3380  1.8700 -1.438000      3.739000  
1 1 1 19 2  58  o 7.0430  1.8010 1.891000       3.603000  
1 1 1 19 2  59  o 8.8850  1.8460 3.300000       3.693000  
1 1 1 19 2  60  o 5.8510  1.7770 -1.428000      3.554000  
1 1 1 19 2  61  o 6.4260  1.8680 0.6125000      3.737000  
1 1 1 19 2  62  o 4.6510  1.5590 -0.7729000     3.118000  
1 1 1 19 2  63  o 4.9870  1.6100 1.040000       3.221000  
1 1 1 19 2  64  o 3.9300  1.3740 -0.3590000     2.748000  
1 1 1 19 2  65  o 4.5200  1.5080 0.8010000      3.015000  
1 1 1 19 2  66  o 4.7010  1.5260 -0.5402000     3.051000  
1 1 1 19 2  67  o 3.7530  1.2940 -0.6867000     2.589000  
1 1 1 19 2  68  o 5.8220  2.4150 ?              ?         
1 1 1 19 3  0   o 35.090  1.0470 -0.000000      0.000000  
1 1 1 19 3  1   o 18.720  0.5539 ?              ?         
1 1 1 19 3  2   o 14.200  0.6546 ?              ?         
1 1 1 19 3  3   o 22.900  0.5008 0.5560000      1.002000  
1 1 1 19 3  4   o 15.360  0.5019 ?              ?         
1 1 1 19 3  5   o 10.070  0.5286 -0.5393000     1.057000  
1 1 1 19 3  6   o 14.750  0.6102 -0.6762000     1.220000  
1 1 1 19 3  7   o 12.150  0.6439 1.321000       1.288000  
1 1 1 19 3  8   f 11.360  0.6773 -0.7002000     1.355000  
1 1 1 19 3  9   o 13.760  0.6354 3.519000       1.271000  
1 1 1 19 3  10  o 17.070  0.9506 ?              ?         
1 1 1 19 3  11  o 16.710  0.6425 0.6686000      1.285000  
1 1 1 19 3  12  o 12.040  0.7142 -2.833000      1.428000  
1 1 1 19 3  13  o 25.110  0.7395 0.8530000      1.479000  
1 1 1 19 3  14  o 14.010  0.9372 ?              ?         
1 1 1 19 3  15  o 32.610  1.0820 ?              ?         
1 1 1 19 3  17  o 21.430  0.9508 ?              ?         
1 1 1 19 3  18  o 8.6340  1.6270 ?              ?         
1 1 1 19 3  19  o 31.530  0.9526 3.611000       1.905000  
1 1 1 19 3  20  o 27.480  0.8541 -0.7276000     1.708000  
1 1 1 19 3  21  o 38.130  1.1270 1.260000       2.254000  
1 1 1 19 3  22  o 21.490  0.7525 -0.1262000     1.505000  
1 1 1 19 3  23  o 24.290  0.8142 1.393000       1.628000  
1 1 1 19 3  24  o 7.7120  1.1680 -3.649000      2.336000  
1 1 1 19 3  25  o 24.190  0.8159 -1.493000      1.632000  
1 1 1 19 3  26  o 19.910  0.7847 0.6511000E-01  1.569000  
1 1 1 19 3  27  f 4.4470  1.3270 -2.280000      2.653000  
1 1 1 19 3  28  o 19.630  0.8438 1.326000       1.688000  
1 1 1 19 3  29  o 11.730  1.2240 3.536000       2.449000  
1 1 1 19 3  30  o 5.7820  1.3060 1.566000       2.612000  
1 1 1 19 3  31  o 21.220  0.8811 -0.8880000     1.762000  
1 1 1 19 3  32  o 15.980  1.0620 2.712000       2.124000  
1 1 1 19 3  33  o 18.590  0.9570 -1.782000      1.914000  
1 1 1 19 3  34  o 17.770  1.0390 1.139000       2.079000  
1 1 1 19 3  35  o 18.780  1.0760 4.405000       2.151000  
1 1 1 19 3  36  o 12.730  0.6456 1.423000       1.291000  
1 1 1 19 3  37  o 5.6240  1.1740 0.8820000      2.348000  
1 1 1 19 3  38  o 17.270  0.6615 0.5371000      1.323000  
1 1 1 19 3  39  o 7.0680  1.1140 1.305000       2.228000  
1 1 1 19 3  40  o 12.810  0.7398 -0.6280000     1.480000  
1 1 1 19 3  41  o 6.8080  1.2180 -1.667000      2.435000  
1 1 1 19 3  42  o 9.4450  1.0550 -0.7958000     2.110000  
1 1 1 19 3  43  o 5.7340  1.3110 1.659000       2.622000  
1 1 1 19 3  44  o 6.0770  1.4250 -0.5053000     2.850000  
1 1 1 19 3  45  f 6.3160  1.4240 1.954000       2.848000  
1 1 1 19 3  46  o 9.5210  1.3000 -0.3136000     2.600000  
1 1 1 19 3  47  o 9.1930  1.4190 2.931000       2.839000  
1 1 1 19 3  48  o 4.9540  1.4880 -1.015000      2.976000  
1 1 1 19 3  49  o 16.450  1.2850 ?              ?         
1 1 1 19 3  50  o 8.0670  1.6000 2.590000       3.199000  
1 1 1 19 3  51  o 12.810  1.3570 3.494000       2.715000  
1 1 1 19 3  52  o 12.070  1.4780 5.438000       2.956000  
1 1 1 19 3  53  o 10.600  1.5890 2.771000       3.179000  
1 1 1 19 3  54  o 4.0710  1.3740 -0.7925000     2.747000  
1 1 1 19 3  55  o 5.9650  1.6960 -0.2316000     3.391000  
1 1 1 19 3  56  o 5.2590  1.6210 -0.8005000     3.241000  
1 1 1 19 3  57  o 4.5380  1.5000 -0.6300000     2.999000  
1 1 1 19 3  58  o 4.4970  1.5050 -1.283000      3.009000  
1 1 1 19 3  59  o 5.8540  1.7600 -0.7560000     3.519000  
1 1 1 19 3  60  o 5.5260  1.7020 0.7774000      3.404000  
1 1 1 19 3  61  o 5.2520  1.6640 -0.7622000     3.327000  
1 1 1 19 3  62  o 4.3730  1.4720 0.2695000      2.944000  
1 1 1 19 3  63  o 5.1680  1.6340 1.485000       3.268000  
1 1 1 19 3  64  o 3.8190  1.3350 -0.2440000     2.671000  
1 1 1 19 3  65  o 3.5050  1.2360 -0.6304000     2.472000  
1 1 1 19 3  66  o 3.5830  1.2510 0.4084000      2.503000  
1 1 1 19 3  67  o 4.5570  1.4970 0.2047000      2.994000  
1 1 1 19 3  68  o 3.4950  1.7290 ?              ?         
1 1 1 19 4  0   o 21.960  0.7860 -0.000000      0.000000  
1 1 1 19 4  1   o 17.600  0.5980 1.023000       1.196000  
1 1 1 19 4  2   o 21.280  0.5420 -1.079000      1.084000  
1 1 1 19 4  3   o 10.370  0.5297 -6.006000      1.059000  
1 1 1 19 4  4   o 26.260  0.5402 0.5847000      1.080000  
1 1 1 19 4  5   o 33.860  0.6588 -0.3033000E-01 1.318000  
1 1 1 19 4  6   o 9.1450  1.1230 ?              ?         
1 1 1 19 4  7   o 18.330  0.6228 0.2399000      1.246000  
1 1 1 19 4  8   o 12.300  0.6596 -0.8596000     1.319000  
1 1 1 19 4  9   o 17.580  0.6276 -1.311000      1.255000  
1 1 1 19 4  10  o 13.880  0.6360 1.182000       1.272000  
1 1 1 19 4  11  f 21.720  0.6788 2.882000       1.358000  
1 1 1 19 4  12  o 9.9280  0.8706 -4.702000      1.741000  
1 1 1 19 4  13  o 15.000  0.6771 1.686000       1.354000  
1 1 1 19 4  14  o 24.080  0.7391 1.770000       1.478000  
1 1 1 19 4  15  o 15.880  0.6930 1.256000       1.386000  
1 1 1 19 4  16  o 31.190  0.7099 2.015000       1.420000  
1 1 1 19 4  17  o 11.130  0.6916 -5.213000      1.383000  
1 1 1 19 4  18  o 9.2150  0.9477 -4.513000      1.895000  
1 1 1 19 4  19  o 23.740  0.7283 2.047000       1.457000  
1 1 1 19 4  20  o 8.1510  1.0300 -2.668000      2.061000  
1 1 1 19 4  21  o 7.1130  1.1490 0.6183000      2.298000  
1 1 1 19 4  22  o 22.240  0.7222 0.3866000      1.444000  
1 1 1 19 4  23  o 30.010  0.8588 1.675000       1.718000  
1 1 1 19 4  24  o 18.220  0.7203 0.1987000      1.441000  
1 1 1 19 4  25  o 10.700  1.0050 1.063000       2.009000  
1 1 1 19 4  26  o 21.260  0.7236 -2.980000      1.447000  
1 1 1 19 4  27  o 25.430  0.8072 1.195000       1.614000  
1 1 1 19 4  28  o 7.3350  1.2300 2.690000       2.460000  
1 1 1 19 4  29  o 19.710  0.7556 -2.155000      1.511000  
1 1 1 19 4  30  o 11.800  1.1650 4.092000       2.330000  
1 1 1 19 4  31  o 8.1470  1.3480 2.153000       2.697000  
1 1 1 19 4  32  o 20.920  0.8426 1.686000       1.685000  
1 1 1 19 4  33  o 15.870  0.9355 -0.7793000E-01 1.871000  
1 1 1 19 4  34  o 16.400  1.0150 3.431000       2.031000  
1 1 1 19 4  35  o 12.140  0.5766 3.251000       1.153000  
1 1 1 19 4  36  o 16.260  0.5918 2.754000       1.184000  
1 1 1 19 4  37  o 6.2500  0.9717 -0.7791000     1.943000  
1 1 1 19 4  38  o 9.3410  0.8795 -0.7650000     1.759000  
1 1 1 19 4  39  o 4.3160  1.2030 -0.5179000     2.406000  
1 1 1 19 4  40  o 4.9310  1.2530 1.206000       2.505000  
1 1 1 19 4  41  o 10.230  0.9302 -2.046000      1.860000  
1 1 1 19 4  42  o 5.1620  1.3350 -0.1548000     2.670000  
1 1 1 19 4  43  o 4.9470  1.3070 1.400000       2.614000  
1 1 1 19 4  44  o 4.6930  1.2550 2.029000       2.510000  
1 1 1 19 4  45  f 8.5770  1.6150 2.190000       3.231000  
1 1 1 19 4  46  o 8.2530  1.4220 -0.2533000     2.845000  
1 1 1 19 4  47  o 7.6430  1.5180 1.496000       3.037000  
1 1 1 19 4  48  f 15.340  1.1130 1.104000       2.227000  
1 1 1 19 4  49  o 5.5760  1.5850 0.3637000      3.170000  
1 1 1 19 4  50  f 10.370  1.5390 4.686000       3.077000  
1 1 1 19 4  51  o 5.1030  1.5740 -1.631000      3.148000  
1 1 1 19 4  52  o 4.4170  1.4380 -0.5447000     2.876000  
1 1 1 19 4  53  o 8.0030  1.5680 3.737000       3.136000  
1 1 1 19 4  54  o 7.2410  1.7120 1.222000       3.424000  
1 1 1 19 4  55  o 5.0470  1.5910 -0.6004000     3.182000  
1 1 1 19 4  56  o 4.9640  1.5910 -1.108000      3.182000  
1 1 1 19 4  57  o 4.9740  1.6070 -2.050000      3.214000  
1 1 1 19 4  58  o 5.7130  1.6920 0.3401000      3.385000  
1 1 1 19 4  59  o 4.5620  1.5210 -0.8237000     3.043000  
1 1 1 19 4  60  o 4.1570  1.4140 -0.6822000     2.829000  
1 1 1 19 4  61  f 4.5030  1.4800 0.6559000      2.961000  
1 1 1 19 4  62  o 4.6910  1.5330 0.7343000      3.067000  
1 1 1 19 4  63  o 4.7410  1.5770 -0.1346000     3.155000  
1 1 1 19 4  64  o 4.7270  1.5460 0.5852000      3.092000  
1 1 1 19 4  65  o 4.0760  1.3690 -0.1193000     2.738000  
1 1 1 19 4  66  o 4.0210  1.3420 1.182000       2.684000  
1 1 1 19 4  67  o 4.0940  1.9440 ?              ?         
1 1 1 19 4  68  o 3.3640  1.6710 ?              ?         
1 1 1 19 5  0   o 4.6180  1.7780 0.000000       0.000000  
1 1 1 19 5  1   o 5.6820  1.4510 ?              ?         
1 1 1 19 5  2   o 23.810  0.6477 1.750000       1.295000  
1 1 1 19 5  3   o 18.740  0.5156 -1.557000      1.031000  
1 1 1 19 5  4   o 24.660  0.5636 1.646000       1.127000  
1 1 1 19 5  5   o 24.790  0.5228 -0.9780000     1.046000  
1 1 1 19 5  6   o 23.100  0.7002 4.600000       1.400000  
1 1 1 19 5  7   o 35.260  0.8963 -1.645000      1.793000  
1 1 1 19 5  8   o 8.5500  1.2400 ?              ?         
1 1 1 19 5  9   o 17.750  0.6341 0.6674000      1.268000  
1 1 1 19 5  10  o 15.980  0.6396 2.871000       1.279000  
1 1 1 19 5  11  o 17.910  0.6538 2.186000       1.308000  
1 1 1 19 5  12  o 35.130  0.9318 3.220000       1.864000  
1 1 1 19 5  13  o 10.690  1.1420 ?              ?         
1 1 1 19 5  14  o 22.830  0.5928 2.901000       1.186000  
1 1 1 19 5  15  o 16.390  0.5953 -3.046000      1.191000  
1 1 1 19 5  16  o 11.220  0.6897 -2.689000      1.379000  
1 1 1 19 5  17  o 10.230  0.7415 -4.133000      1.483000  
1 1 1 19 5  18  o 18.630  0.6001 2.220000       1.200000  
1 1 1 19 5  19  o 12.160  0.6984 -1.576000      1.397000  
1 1 1 19 5  20  o 27.030  0.6721 1.198000       1.344000  
1 1 1 19 5  21  o 12.500  0.7670 -1.839000      1.534000  
1 1 1 19 5  22  o 5.6320  1.2910 -1.974000      2.583000  
1 1 1 19 5  23  o 15.680  0.7245 -0.5369000E-01 1.449000  
1 1 1 19 5  24  o 14.720  0.7542 0.1032000      1.508000  
1 1 1 19 5  25  o 9.4550  1.0060 -0.6258000     2.011000  
1 1 1 19 5  26  o 21.930  0.7337 -1.724000      1.467000  
1 1 1 19 5  27  o 10.220  1.0680 1.962000       2.136000  
1 1 1 19 5  28  o 25.670  1.2540 -0.6071000     2.508000  
1 1 1 19 5  29  o 12.130  1.0030 2.925000       2.007000  
1 1 1 19 5  30  f 11.620  0.9385 -2.919000      1.877000  
1 1 1 19 5  31  o 13.780  0.9047 -1.641000      1.809000  
1 1 1 19 5  32  o 8.8150  1.3090 4.637000       2.619000  
1 1 1 19 5  33  o 9.2350  1.2630 -4.571000      2.527000  
1 1 1 19 5  34  o 13.580  0.9863 -2.207000      1.973000  
1 1 1 19 5  35  o 8.4230  1.4550 0.8221000      2.910000  
1 1 1 19 5  36  f 15.070  0.6133 -1.483000      1.227000  
1 1 1 19 5  37  o 6.1820  0.9511 2.103000       1.902000  
1 1 1 19 5  38  o 6.3860  0.9846 1.130000       1.969000  
1 1 1 19 5  39  o 4.8520  1.0260 -1.522000      2.051000  
1 1 1 19 5  40  f 3.3130  1.0040 0.7159000E-01  2.008000  
1 1 1 19 5  41  o 15.770  1.0300 -1.415000      2.059000  
1 1 1 19 5  42  o 7.5600  1.2290 4.957000       2.459000  
1 1 1 19 5  43  o 10.970  1.0590 -2.937000      2.118000  
1 1 1 19 5  44  o 7.7930  1.4160 2.626000       2.831000  
1 1 1 19 5  45  o 16.060  0.9135 4.053000       1.827000  
1 1 1 19 5  46  o 12.950  1.1490 4.945000       2.298000  
1 1 1 19 5  47  o 11.120  1.1990 -3.394000      2.397000  
1 1 1 19 5  48  o 11.960  1.3340 6.232000       2.669000  
1 1 1 19 5  49  o 6.7250  1.5740 0.6666000      3.148000  
1 1 1 19 5  50  o 5.3730  1.3170 3.778000       2.634000  
1 1 1 19 5  51  o 5.3700  1.4630 1.371000       2.925000  
1 1 1 19 5  52  o 7.8770  1.5120 2.840000       3.024000  
1 1 1 19 5  53  o 5.5510  1.5400 0.9231000      3.079000  
1 1 1 19 5  54  o 5.3510  1.6090 -0.8585000     3.218000  
1 1 1 19 5  55  o 7.5150  1.7830 -1.555000      3.566000  
1 1 1 19 5  56  o 11.410  1.6290 4.606000       3.257000  
1 1 1 19 5  57  o 5.7980  1.7010 0.1770000      3.401000  
1 1 1 19 5  58  o 5.5130  1.6920 -1.496000      3.383000  
1 1 1 19 5  59  o 4.9420  1.5850 -1.010000      3.171000  
1 1 1 19 5  60  o 4.5890  1.4880 0.2351000      2.977000  
1 1 1 19 5  61  o 4.4680  1.4530 -0.6471000     2.907000  
1 1 1 19 5  62  f 4.4380  1.4510 -1.462000      2.902000  
1 1 1 19 5  63  o 4.7940  1.5030 -1.578000      3.006000  
1 1 1 19 5  64  o 3.9150  1.3140 1.074000       2.628000  
1 1 1 19 5  65  o 3.9230  1.2900 0.2169000      2.579000  
1 1 1 19 5  66  o 3.9400  1.3180 -0.6169000E-01 2.636000  
1 1 1 19 5  67  o 3.2960  1.6430 ?              ?         
1 1 1 19 6  0   o 32.180  0.9558 0.000000       0.000000  
1 1 1 19 6  2   o 10.390  0.5959 -1.522000      1.192000  
1 1 1 19 6  3   o 13.710  0.5155 0.8423000      1.031000  
1 1 1 19 6  4   o 20.740  0.5153 1.264000       1.031000  
1 1 1 19 6  5   o 15.110  0.4766 -0.8941000     0.9532000 
1 1 1 19 6  6   o 14.200  0.6845 -6.150000      1.369000  
1 1 1 19 6  7   o 12.190  0.6687 1.812000       1.337000  
1 1 1 19 6  8   o 16.810  0.6233 1.674000       1.247000  
1 1 1 19 6  9   o 20.480  0.6590 -0.7712000E-01 1.318000  
1 1 1 19 6  10  o 21.600  0.6767 2.362000       1.353000  
1 1 1 19 6  11  o 19.870  1.0110 ?              ?         
1 1 1 19 6  12  o 28.010  0.6390 0.3744000      1.278000  
1 1 1 19 6  13  o 16.320  0.6861 ?              ?         
1 1 1 19 6  14  o 20.170  0.5733 0.6252000      1.147000  
1 1 1 19 6  15  o 18.950  0.5727 -0.3781000     1.145000  
1 1 1 19 6  16  o 15.350  0.6588 ?              ?         
1 1 1 19 6  17  o 8.4880  0.9520 1.932000       1.904000  
1 1 1 19 6  18  o 12.690  0.7040 0.3080000      1.408000  
1 1 1 19 6  19  o 19.250  0.6064 3.371000       1.213000  
1 1 1 19 6  20  o 16.020  0.6163 -2.370000      1.233000  
1 1 1 19 6  21  o 11.930  0.7420 -3.246000      1.484000  
1 1 1 19 6  22  o 7.4860  1.1020 1.950000       2.204000  
1 1 1 19 6  23  o 13.300  0.7342 0.7498000      1.468000  
1 1 1 19 6  24  f 13.530  0.7797 0.3064000E-01  1.559000  
1 1 1 19 6  25  o 5.9920  1.2920 0.2763000E-01  2.584000  
1 1 1 19 6  26  o 18.750  0.7290 0.2870000      1.458000  
1 1 1 19 6  27  o 16.600  0.7441 -0.2729000     1.488000  
1 1 1 19 6  28  o 22.760  0.7694 -0.3376000     1.539000  
1 1 1 19 6  29  o 13.560  0.8730 1.026000       1.746000  
1 1 1 19 6  30  o 15.340  0.8469 0.6852000      1.694000  
1 1 1 19 6  31  o 19.160  0.7823 -1.766000      1.565000  
1 1 1 19 6  32  o 13.390  0.9732 0.6238000      1.946000  
1 1 1 19 6  33  o 6.2390  1.3640 1.664000       2.728000  
1 1 1 19 6  34  o 12.710  1.0720 -0.9192000E-01 2.144000  
1 1 1 19 6  35  o 6.6220  0.9201 4.803000       1.840000  
1 1 1 19 6  36  o 6.0330  0.9846 3.244000       1.969000  
1 1 1 19 6  37  o 4.3750  1.1250 0.9674000      2.249000  
1 1 1 19 6  38  o 8.5240  0.8899 -0.4492000     1.780000  
1 1 1 19 6  39  o 9.5440  0.7822 2.460000       1.564000  
1 1 1 19 6  40  o 8.2620  0.9188 1.512000       1.838000  
1 1 1 19 6  41  o 4.8320  1.1310 -0.7887000     2.261000  
1 1 1 19 6  42  o 5.8160  1.2200 1.910000       2.440000  
1 1 1 19 6  43  o 22.160  0.6819 -2.665000      1.364000  
1 1 1 19 6  44  o 15.720  0.7348 8.020000       1.470000  
1 1 1 19 6  45  o 13.090  1.0490 -2.282000      2.098000  
1 1 1 19 6  46  o 7.9260  1.4530 3.627000       2.907000  
1 1 1 19 6  47  f 4.0620  1.2780 1.229000       2.555000  
1 1 1 19 6  48  o 7.2240  1.5180 1.819000       3.036000  
1 1 1 19 6  49  o 7.0960  1.5950 -0.3053000     3.191000  
1 1 1 19 6  50  o 7.7590  1.4870 3.306000       2.974000  
1 1 1 19 6  51  o 6.2340  1.5270 1.635000       3.053000  
1 1 1 19 6  52  o 6.5400  1.5700 -1.667000      3.140000  
1 1 1 19 6  53  o 7.8770  1.5550 2.251000       3.110000  
1 1 1 19 6  54  o 4.8830  1.4880 0.5533000E-01  2.975000  
1 1 1 19 6  55  o 11.210  1.4330 4.231000       2.866000  
1 1 1 19 6  56  o 6.8260  1.6830 2.065000       3.367000  
1 1 1 19 6  57  o 6.7770  1.6770 0.5382000      3.354000  
1 1 1 19 6  58  o 6.6350  1.6750 0.4345000      3.350000  
1 1 1 19 6  59  o 4.5310  1.4330 -0.3703000     2.866000  
1 1 1 19 6  60  o 5.2250  1.5430 2.260000       3.086000  
1 1 1 19 6  61  o 4.5990  1.4810 0.7883000      2.962000  
1 1 1 19 6  62  f 4.5940  1.4800 -0.1636000E-02 2.960000  
1 1 1 19 6  63  o 4.6680  1.4520 2.334000       2.904000  
1 1 1 19 6  64  o 3.9940  1.3080 1.360000       2.617000  
1 1 1 19 6  65  o 5.1820  1.5340 1.036000       3.068000  
1 1 1 19 6  66  o 4.4540  2.0710 ?              ?         
1 1 1 19 7  0   o 33.680  0.9908 -0.000000      0.000000  
1 1 1 19 7  2   o 28.960  0.6218 -0.7041000     1.244000  
1 1 1 19 7  3   o 18.020  0.6488 ?              ?         
1 1 1 19 7  4   o 22.450  0.5366 0.7226000      1.073000  
1 1 1 19 7  6   o 16.510  0.8041 ?              ?         
1 1 1 19 7  7   o 29.520  0.6417 1.617000       1.283000  
1 1 1 19 7  8   o 26.500  1.1740 ?              ?         
1 1 1 19 7  9   o 24.010  1.1140 ?              ?         
1 1 1 19 7  10  o 37.760  0.9429 5.550000       1.886000  
1 1 1 19 7  11  o 27.280  0.8425 ?              ?         
1 1 1 19 7  12  o 31.230  0.6858 0.6099000      1.372000  
1 1 1 19 7  14  f 13.500  0.5950 -3.004000      1.190000  
1 1 1 19 7  15  o 11.660  0.6721 -0.9615000E-02 1.344000  
1 1 1 19 7  16  o 16.200  0.5986 -0.9947000     1.197000  
1 1 1 19 7  17  o 19.250  0.5981 0.6128000      1.196000  
1 1 1 19 7  18  o 23.100  0.6209 -0.3617000     1.242000  
1 1 1 19 7  19  o 20.690  0.6034 -2.759000      1.207000  
1 1 1 19 7  20  o 18.310  0.6173 -2.449000      1.235000  
1 1 1 19 7  21  o 17.990  0.6272 -1.618000      1.254000  
1 1 1 19 7  22  o 23.350  0.6457 0.1637000E-01  1.291000  
1 1 1 19 7  23  o 12.040  1.4060 ?              ?         
1 1 1 19 7  24  o 14.920  0.7424 2.596000       1.485000  
1 1 1 19 7  25  o 17.140  0.7028 0.5309000      1.406000  
1 1 1 19 7  26  o 16.770  1.1980 ?              ?         
1 1 1 19 7  27  o 11.830  0.9305 -0.4593000     1.861000  
1 1 1 19 7  28  o 13.260  0.9110 0.4171000      1.822000  
1 1 1 19 7  29  o 5.6180  1.2870 2.098000       2.574000  
1 1 1 19 7  30  o 6.3570  1.3570 1.224000       2.713000  
1 1 1 19 7  31  o 11.240  1.1040 1.618000       2.207000  
1 1 1 19 7  32  o 11.520  1.0870 1.283000       2.175000  
1 1 1 19 7  33  o 22.140  0.8351 -1.187000      1.670000  
1 1 1 19 7  34  o 12.610  1.2650 7.697000       2.530000  
1 1 1 19 7  35  o 15.370  0.6255 -0.5501000     1.251000  
1 1 1 19 7  36  o 8.4600  0.8488 0.9152000      1.698000  
1 1 1 19 7  37  f 9.1350  0.8157 0.7553000      1.631000  
1 1 1 19 7  38  o 7.4730  0.9948 -0.4427000     1.990000  
1 1 1 19 7  39  o 5.6420  1.1180 4.050000       2.236000  
1 1 1 19 7  40  o 12.930  0.7077 0.3512000      1.415000  
1 1 1 19 7  41  o 4.2000  1.1770 1.166000       2.354000  
1 1 1 19 7  42  o 12.300  0.7923 -2.340000      1.585000  
1 1 1 19 7  43  o 11.410  0.7739 4.061000       1.548000  
1 1 1 19 7  44  o 16.500  0.6822 0.7680000      1.364000  
1 1 1 19 7  45  f 7.9080  1.1300 1.871000       2.259000  
1 1 1 19 7  46  o 8.6110  1.1230 -1.965000      2.246000  
1 1 1 19 7  47  o 5.0920  1.3110 0.6863000      2.622000  
1 1 1 19 7  48  o 6.4950  1.4970 1.746000       2.994000  
1 1 1 19 7  49  o 4.8070  1.4350 -0.1134000     2.871000  
1 1 1 19 7  50  o 6.6260  1.5120 1.754000       3.025000  
1 1 1 19 7  51  o 5.5550  1.5450 -0.9957000     3.090000  
1 1 1 19 7  52  o 6.4660  1.4950 3.350000       2.989000  
1 1 1 19 7  53  o 6.1310  1.5920 1.035000       3.184000  
1 1 1 19 7  54  o 13.560  1.1150 -2.739000      2.230000  
1 1 1 19 7  55  o 13.500  1.1900 3.453000       2.380000  
1 1 1 19 7  56  o 5.4260  1.5450 -1.914000      3.091000  
1 1 1 19 7  57  o 3.8340  1.2850 1.019000       2.571000  
1 1 1 19 7  58  o 3.7080  1.2550 0.1473000      2.509000  
1 1 1 19 7  59  o 4.0860  1.3330 -1.173000      2.666000  
1 1 1 19 7  60  o 5.3530  1.5640 0.9867000      3.128000  
1 1 1 19 7  61  o 4.0770  1.3340 0.7779000E-01  2.667000  
1 1 1 19 7  62  o 3.0760  1.0830 1.227000       2.167000  
1 1 1 19 7  63  o 3.7930  1.2410 1.258000       2.482000  
1 1 1 19 7  64  f 5.0400  2.1950 ?              ?         
1 1 1 19 7  65  o 4.7790  2.1660 ?              ?         
1 1 1 19 8  0   o 19.230  0.7196 0.000000       0.000000  
1 1 1 19 8  1   o 11.040  0.8459 ?              ?         
1 1 1 19 8  3   o 31.580  0.6733 0.2907000      1.347000  
1 1 1 19 8  4   o 32.240  1.0130 ?              ?         
1 1 1 19 8  5   f 18.390  0.6426 ?              ?         
1 1 1 19 8  6   o 16.340  0.5235 1.021000       1.047000  
1 1 1 19 8  7   o 15.460  0.5087 -0.1292000     1.017000  
1 1 1 19 8  8   o 16.220  0.4966 2.133000       0.9931000 
1 1 1 19 8  9   o 27.360  0.5682 1.126000       1.136000  
1 1 1 19 8  10  o 9.1980  0.5529 ?              ?         
1 1 1 19 8  11  o 8.5040  0.8013 0.7996000E-01  1.603000  
1 1 1 19 8  12  o 11.240  0.6292 -0.9772000     1.258000  
1 1 1 19 8  13  o 4.6800  1.0630 -3.461000      2.127000  
1 1 1 19 8  14  o 8.0360  1.0120 3.418000       2.024000  
1 1 1 19 8  15  o 14.580  0.5828 -0.6066000     1.166000  
1 1 1 19 8  16  o 12.710  0.6510 -0.9909000     1.302000  
1 1 1 19 8  17  o 5.5850  1.1530 -3.605000      2.306000  
1 1 1 19 8  18  o 16.960  0.5989 1.138000       1.198000  
1 1 1 19 8  19  o 11.000  0.7460 -1.714000      1.492000  
1 1 1 19 8  20  o 9.4670  0.9761 1.785000       1.952000  
1 1 1 19 8  21  o 8.1690  0.9943 -3.565000      1.989000  
1 1 1 19 8  22  o 13.970  0.7052 0.2255000      1.410000  
1 1 1 19 8  23  o 22.970  0.6483 -0.6719000     1.297000  
1 1 1 19 8  24  o 23.730  0.6678 1.257000       1.336000  
1 1 1 19 8  25  o 11.200  1.5660 ?              ?         
1 1 1 19 8  26  o 25.010  0.6805 -1.815000      1.361000  
1 1 1 19 8  27  o 10.540  1.8660 ?              ?         
1 1 1 19 8  28  o 7.2970  1.2910 -1.274000      2.582000  
1 1 1 19 8  29  o 15.750  0.7665 0.1612000      1.533000  
1 1 1 19 8  30  o 7.2980  1.3500 1.171000       2.701000  
1 1 1 19 8  31  o 11.870  1.0090 0.9896000      2.019000  
1 1 1 19 8  32  o 11.580  0.6884 -0.1563000     1.377000  
1 1 1 19 8  33  o 19.250  0.6336 -0.1787000     1.267000  
1 1 1 19 8  34  o 14.910  0.7304 -1.142000      1.461000  
1 1 1 19 8  35  o 13.760  0.6454 3.263000       1.291000  
1 1 1 19 8  36  o 9.1960  0.8453 0.7119000      1.691000  
1 1 1 19 8  37  o 8.9560  0.8375 3.773000       1.675000  
1 1 1 19 8  38  o 9.8430  0.8063 0.9288000      1.613000  
1 1 1 19 8  39  o 8.8260  0.9123 1.124000       1.825000  
1 1 1 19 8  40  o 9.7420  0.8369 2.209000       1.674000  
1 1 1 19 8  41  o 4.7870  1.2060 2.440000       2.411000  
1 1 1 19 8  42  o 3.9650  1.1230 -0.5890000     2.247000  
1 1 1 19 8  43  o 5.3980  1.2360 -0.8049000     2.471000  
1 1 1 19 8  44  o 4.1470  1.1570 -1.089000      2.314000  
1 1 1 19 8  45  o 7.0970  1.2080 -1.011000      2.416000  
1 1 1 19 8  46  o 14.900  0.7499 0.9677000      1.500000  
1 1 1 19 8  47  o 4.7060  1.2800 2.961000       2.559000  
1 1 1 19 8  48  o 7.3920  1.2570 -1.290000      2.515000  
1 1 1 19 8  49  o 6.3980  1.2140 -2.859000      2.428000  
1 1 1 19 8  50  o 8.7500  1.1190 4.068000       2.238000  
1 1 1 19 8  51  f 7.0630  1.3060 0.2122000      2.611000  
1 1 1 19 8  52  o 4.3530  1.3820 0.2341000      2.765000  
1 1 1 19 8  53  f 7.0970  1.6520 -0.8391000     3.304000  
1 1 1 19 8  54  o 9.0460  1.7270 2.972000       3.454000  
1 1 1 19 8  55  o 4.6980  1.5040 0.3461000      3.008000  
1 1 1 19 8  56  o 4.8670  1.5050 0.9946000      3.010000  
1 1 1 19 8  57  o 4.3550  1.4460 -0.9750000     2.892000  
1 1 1 19 8  58  o 4.6440  1.4970 -0.2777000     2.994000  
1 1 1 19 8  59  o 4.3140  1.4220 0.4722000      2.845000  
1 1 1 19 8  60  o 4.4270  1.4270 2.118000       2.854000  
1 1 1 19 8  61  o 4.7420  1.4590 -0.1889000     2.919000  
1 1 1 19 8  62  f 4.8090  1.4190 -0.4833000     2.838000  
1 1 1 19 8  63  o 4.3810  1.4240 0.6076000      2.849000  
1 1 1 19 8  64  o 3.8630  1.8450 ?              ?         
1 1 1 19 9  0   o 31.580  0.9411 -0.000000      0.000000  
1 1 1 19 9  1   f 28.720  0.8965 ?              ?         
1 1 1 19 9  2   o 49.180  1.4300 ?              ?         
1 1 1 19 9  4   o 26.930  0.6035 -0.1415000     1.207000  
1 1 1 19 9  6   o 15.940  0.5140 -1.796000      1.028000  
1 1 1 19 9  7   o 15.060  0.5091 -0.3597000     1.018000  
1 1 1 19 9  8   o 7.9140  0.6952 ?              ?         
1 1 1 19 9  9   o 12.780  0.5609 0.4574000      1.122000  
1 1 1 19 9  10  o 12.570  0.5449 -2.197000      1.090000  
1 1 1 19 9  11  o 12.550  0.5580 0.3539000      1.116000  
1 1 1 19 9  12  f 13.630  0.6114 0.4274000      1.223000  
1 1 1 19 9  13  o 15.330  0.5888 -3.532000      1.178000  
1 1 1 19 9  14  o 24.320  0.6140 0.8373000      1.228000  
1 1 1 19 9  15  o 12.850  0.7361 ?              ?         
1 1 1 19 9  16  o 11.630  0.6958 -0.6338000     1.392000  
1 1 1 19 9  17  o 8.8160  0.8952 -1.738000      1.790000  
1 1 1 19 9  18  o 15.500  0.7273 1.104000       1.455000  
1 1 1 19 9  19  o 11.790  0.7335 -2.003000      1.467000  
1 1 1 19 9  20  o 18.940  0.6324 2.814000       1.265000  
1 1 1 19 9  21  o 9.7560  0.8933 -3.167000      1.787000  
1 1 1 19 9  22  o 7.5470  1.1340 0.2855000      2.269000  
1 1 1 19 9  23  o 6.9180  1.2040 -0.5205000E-01 2.407000  
1 1 1 19 9  24  o 15.890  0.7140 0.5404000      1.428000  
1 1 1 19 9  25  o 22.150  0.6756 1.035000       1.351000  
1 1 1 19 9  26  f 19.470  0.6725 0.3298000      1.345000  
1 1 1 19 9  27  o 15.860  0.7520 -0.8266000     1.504000  
1 1 1 19 9  28  o 19.710  0.5411 1.705000       1.082000  
1 1 1 19 9  29  o 16.020  0.7923 ?              ?         
1 1 1 19 9  30  o 16.250  0.5464 -1.372000      1.093000  
1 1 1 19 9  31  o 13.700  0.5848 -2.107000      1.170000  
1 1 1 19 9  32  o 6.0300  1.0430 0.7685000      2.087000  
1 1 1 19 9  33  o 7.0680  1.0500 -0.6115000     2.100000  
1 1 1 19 9  34  o 11.620  0.7319 -0.7797000     1.464000  
1 1 1 19 9  35  o 10.030  0.8500 -2.605000      1.700000  
1 1 1 19 9  36  o 18.270  0.6674 0.1383000      1.335000  
1 1 1 19 9  37  o 10.880  0.8085 2.016000       1.617000  
1 1 1 19 9  38  o 10.430  0.9332 -2.305000      1.866000  
1 1 1 19 9  39  o 16.670  0.7005 -1.888000      1.401000  
1 1 1 19 9  40  o 9.6600  0.9111 4.943000       1.822000  
1 1 1 19 9  41  o 13.880  0.7526 -0.9076000     1.505000  
1 1 1 19 9  42  o 8.1630  1.0680 4.344000       2.136000  
1 1 1 19 9  43  o 3.9690  1.1810 0.8021000E-01  2.361000  
1 1 1 19 9  44  o 3.6370  1.1410 0.3198000      2.282000  
1 1 1 19 9  45  o 4.7950  1.2090 -1.657000      2.419000  
1 1 1 19 9  46  o 4.5050  1.2660 -0.1697000     2.533000  
1 1 1 19 9  47  o 5.7360  1.3570 0.3207000      2.714000  
1 1 1 19 9  48  o 7.7740  1.2630 0.1098000      2.525000  
1 1 1 19 9  49  o 8.4030  1.2150 -3.413000      2.430000  
1 1 1 19 9  50  o 4.3700  1.2990 1.319000       2.598000  
1 1 1 19 9  51  f 7.0690  1.3360 -1.085000      2.671000  
1 1 1 19 9  52  o 9.7390  1.1160 0.8828000      2.233000  
1 1 1 19 9  53  o 4.7740  1.3580 2.245000       2.715000  
1 1 1 19 9  54  o 3.4560  1.1520 0.3409000      2.304000  
1 1 1 19 9  55  o 3.5090  1.1730 0.7275000      2.345000  
1 1 1 19 9  56  o 4.2040  1.4010 0.4321000E-01  2.801000  
1 1 1 19 9  57  o 3.7770  1.2850 0.1154000      2.569000  
1 1 1 19 9  58  o 4.6650  1.5010 -0.7058000     3.003000  
1 1 1 19 9  59  o 3.7160  1.2590 0.1214000      2.518000  
1 1 1 19 9  60  o 3.9550  1.2930 -0.4437000     2.585000  
1 1 1 19 9  61  o 4.2100  1.3340 -0.5651000     2.669000  
1 1 1 19 9  62  o 3.4100  1.6780 ?              ?         
1 1 1 19 10 1   o 15.860  0.5282 -0.4831000     1.056000  
1 1 1 19 10 2   o 17.680  0.5120 0.4034000E-02  1.024000  
1 1 1 19 10 3   o 13.320  0.7237 ?              ?         
1 1 1 19 10 4   o 8.3340  0.7245 -0.5373000     1.449000  
1 1 1 19 10 5   o 16.070  0.5043 0.7334000      1.009000  
1 1 1 19 10 6   o 18.690  0.4919 0.2918000      0.9839000 
1 1 1 19 10 7   o 16.180  0.5560 -3.347000      1.112000  
1 1 1 19 10 8   o 7.0800  1.2200 3.349000       2.440000  
1 1 1 19 10 9   o 15.050  0.5290 1.131000       1.058000  
1 1 1 19 10 10  o 11.340  0.6645 ?              ?         
1 1 1 19 10 11  o 19.980  0.6132 -0.3341000     1.226000  
1 1 1 19 10 12  o 9.7950  0.6293 -5.765000      1.259000  
1 1 1 19 10 13  o 15.270  0.4949 1.640000       0.9898000 
1 1 1 19 10 14  o 12.100  0.9751 3.962000       1.950000  
1 1 1 19 10 15  o 20.990  0.6508 -0.5502000     1.302000  
1 1 1 19 10 16  o 17.730  0.5436 0.6992000E-01  1.087000  
1 1 1 19 10 17  o 28.880  0.6057 -1.396000      1.211000  
1 1 1 19 10 18  o 20.210  0.5631 1.637000       1.126000  
1 1 1 19 10 19  o 14.310  0.7565 1.693000       1.513000  
1 1 1 19 10 20  o 11.360  0.6650 -3.394000      1.330000  
1 1 1 19 10 21  o 12.260  0.6345 -0.2200000     1.269000  
1 1 1 19 10 22  o 10.640  0.7270 0.2283000      1.454000  
1 1 1 19 10 23  o 9.3460  0.7757 0.7908000E-01  1.551000  
1 1 1 19 10 24  o 13.260  0.5914 -0.3230000     1.183000  
1 1 1 19 10 25  o 8.2430  0.9035 -2.309000      1.807000  
1 1 1 19 10 26  o 5.4700  1.1550 0.3269000      2.311000  
1 1 1 19 10 27  o 16.200  0.5603 -0.3762000     1.121000  
1 1 1 19 10 28  o 10.370  0.7294 -0.8324000     1.459000  
1 1 1 19 10 29  o 19.110  0.5607 -1.478000      1.121000  
1 1 1 19 10 30  o 25.740  0.6005 0.9460000      1.201000  
1 1 1 19 10 31  o 15.470  0.7674 ?              ?         
1 1 1 19 10 32  o 17.410  0.5580 1.549000       1.116000  
1 1 1 19 10 33  o 10.140  0.9401 ?              ?         
1 1 1 19 10 34  o 14.270  0.5946 1.033000       1.189000  
1 1 1 19 10 35  o 5.7460  1.4920 ?              ?         
1 1 1 19 10 36  f 4.0670  1.1190 -0.3205000     2.239000  
1 1 1 19 10 37  o 6.7050  1.2260 1.864000       2.453000  
1 1 1 19 10 38  o 11.120  0.8694 0.1681000      1.739000  
1 1 1 19 10 39  o 9.3780  1.0230 0.1627000      2.045000  
1 1 1 19 10 40  o 15.480  0.7455 -0.6384000     1.491000  
1 1 1 19 10 41  o 6.6480  1.2920 2.442000       2.583000  
1 1 1 19 10 42  f 15.400  0.7761 -0.9268000E-01 1.552000  
1 1 1 19 10 43  o 17.280  0.7403 -0.9546000     1.481000  
1 1 1 19 10 44  o 16.320  0.7584 4.077000       1.517000  
1 1 1 19 10 45  o 5.4680  1.3560 0.9236000      2.713000  
1 1 1 19 10 46  o 12.730  0.8821 -0.5043000E-02 1.764000  
1 1 1 19 10 47  o 8.3440  1.2110 2.421000       2.422000  
1 1 1 19 10 48  o 8.5050  1.2040 -0.8626000E-01 2.408000  
1 1 1 19 10 49  o 9.1380  1.2120 -1.966000      2.424000  
1 1 1 19 10 50  o 5.8740  1.3670 3.602000       2.735000  
1 1 1 19 10 51  o 5.7300  1.3980 2.218000       2.796000  
1 1 1 19 10 52  o 4.9170  1.3710 2.273000       2.742000  
1 1 1 19 10 53  o 3.8130  1.2190 1.632000       2.438000  
1 1 1 19 10 54  o 4.0210  1.2740 1.196000       2.549000  
1 1 1 19 10 55  o 3.6410  1.1630 -0.4811000     2.325000  
1 1 1 19 10 56  o 4.4660  1.3670 0.8881000      2.734000  
1 1 1 19 10 57  o 4.9700  1.3630 -1.056000      2.726000  
1 1 1 19 10 58  o 3.7580  1.2440 1.058000       2.489000  
1 1 1 19 10 59  o 3.5180  1.1770 0.7390000      2.354000  
1 1 1 19 10 60  o 4.8590  1.4550 0.4013000      2.910000  
1 1 1 19 10 61  o 4.4580  2.0170 ?              ?         
1 1 1 19 11 0   o 12.580  0.8036 -0.000000      0.000000  
1 1 1 19 11 1   f 15.130  0.5222 -0.8516000     1.044000  
1 1 1 19 11 2   o 11.840  0.5919 -1.611000      1.184000  
1 1 1 19 11 3   f 17.430  0.4682 -0.2154000     0.9364000 
1 1 1 19 11 4   o 13.160  0.5664 -0.8295000     1.133000  
1 1 1 19 11 5   f 11.190  0.6233 -0.6086000     1.247000  
1 1 1 19 11 6   o 23.160  0.4892 -0.8084000E-01 0.9783000 
1 1 1 19 11 7   o 25.180  0.5138 0.3806000      1.028000  
1 1 1 19 11 8   o 22.360  0.4915 -0.5725000     0.9831000 
1 1 1 19 11 9   o 19.680  0.4832 -0.9465000     0.9664000 
1 1 1 19 11 10  o 5.0440  0.9793 2.995000       1.959000  
1 1 1 19 11 11  o 6.3590  0.9386 -0.2709000     1.877000  
1 1 1 19 11 12  o 14.120  0.5136 0.7773000      1.027000  
1 1 1 19 11 13  o 8.7510  1.1130 1.138000       2.226000  
1 1 1 19 11 14  o 10.920  0.6620 1.626000       1.324000  
1 1 1 19 11 15  o 22.060  0.6105 -1.614000      1.221000  
1 1 1 19 11 16  o 6.3790  1.2920 0.5047000      2.585000  
1 1 1 19 11 17  o 18.550  0.6687 -1.411000      1.337000  
1 1 1 19 11 18  o 16.880  0.5697 -0.6000000     1.139000  
1 1 1 19 11 19  o 24.960  0.5846 -0.1209000     1.169000  
1 1 1 19 11 20  o 7.5630  1.1380 4.970000       2.276000  
1 1 1 19 11 21  o 20.110  0.5545 -0.1579000     1.109000  
1 1 1 19 11 22  o 18.960  0.5639 -1.138000      1.128000  
1 1 1 19 11 23  o 17.130  0.5693 -0.2587000     1.139000  
1 1 1 19 11 24  o 12.740  0.6430 1.094000       1.286000  
1 1 1 19 11 25  o 9.7580  0.7635 -0.9064000     1.527000  
1 1 1 19 11 26  o 8.5310  0.9024 0.6018000      1.805000  
1 1 1 19 11 27  o 7.8040  0.9932 1.306000       1.986000  
1 1 1 19 11 28  o 16.090  0.5810 0.9495000      1.162000  
1 1 1 19 11 29  o 14.870  0.8259 ?              ?         
1 1 1 19 11 30  o 7.3600  0.9882 1.668000       1.976000  
1 1 1 19 11 31  o 12.660  0.6300 -1.526000      1.260000  
1 1 1 19 11 32  o 6.5080  1.0840 -1.220000      2.168000  
1 1 1 19 11 33  o 15.580  0.5864 -1.343000      1.173000  
1 1 1 19 11 34  o 4.8800  1.1870 0.8597000      2.374000  
1 1 1 19 11 35  o 10.200  0.7746 -0.8344000     1.549000  
1 1 1 19 11 36  o 9.2510  0.8932 1.737000       1.786000  
1 1 1 19 11 37  o 4.5140  1.1730 2.130000       2.345000  
1 1 1 19 11 38  o 16.780  0.6182 1.131000       1.236000  
1 1 1 19 11 39  o 7.1080  1.1050 -0.2793000     2.210000  
1 1 1 19 11 40  o 12.620  0.8770 -1.510000      1.754000  
1 1 1 19 11 41  o 4.4340  1.2840 1.948000       2.569000  
1 1 1 19 11 42  f 16.340  0.7726 0.1552000      1.545000  
1 1 1 19 11 43  o 11.530  0.9321 0.9943000      1.864000  
1 1 1 19 11 44  o 13.530  0.8572 -1.708000      1.714000  
1 1 1 19 11 45  o 11.720  0.9224 2.830000       1.845000  
1 1 1 19 11 46  o 5.0020  1.3620 1.575000       2.723000  
1 1 1 19 11 47  o 9.0720  1.1610 -0.3406000     2.322000  
1 1 1 19 11 48  o 4.1190  1.2710 0.6416000      2.542000  
1 1 1 19 11 49  o 5.4470  1.3880 2.677000       2.777000  
1 1 1 19 11 50  o 11.000  1.0490 0.7464000      2.099000  
1 1 1 19 11 51  o 9.8580  1.2090 2.902000       2.419000  
1 1 1 19 11 52  o 3.4600  1.1720 1.260000       2.343000  
1 1 1 19 11 53  o 5.1210  1.4520 1.055000       2.903000  
1 1 1 19 11 54  o 4.0390  1.2950 2.068000       2.590000  
1 1 1 19 11 55  o 3.8370  1.2380 0.6467000      2.477000  
1 1 1 19 11 56  o 3.2410  1.0940 0.3043000      2.189000  
1 1 1 19 11 57  o 3.5860  1.1780 0.3102000      2.356000  
1 1 1 19 11 58  o 4.6230  1.3650 0.5347000      2.730000  
1 1 1 19 11 59  o 5.2120  2.2210 ?              ?         
1 1 1 19 12 0   o 13.220  0.7962 0.000000       0.000000  
1 1 1 19 12 1   o 19.450  0.4651 -0.8513000     0.9301000 
1 1 1 19 12 2   o 13.270  0.5087 -0.5251000     1.017000  
1 1 1 19 12 3   o 11.140  0.6297 -1.545000      1.259000  
1 1 1 19 12 4   o 18.230  0.4670 -0.6023000     0.9339000 
1 1 1 19 12 5   o 24.010  0.4925 -0.4126000E-01 0.9850000 
1 1 1 19 12 6   o 21.140  0.4821 -0.5033000E-01 0.9642000 
1 1 1 19 12 7   f 11.970  0.9482 4.127000       1.896000  
1 1 1 19 12 8   o 6.2770  0.9627 -1.708000      1.925000  
1 1 1 19 12 9   f 4.0880  1.0400 0.3999000      2.079000  
1 1 1 19 12 10  f 5.6400  0.9660 2.342000       1.932000  
1 1 1 19 12 11  f 9.5310  0.7025 0.5653000      1.405000  
1 1 1 19 12 12  o 13.150  0.5537 -0.1549000E-01 1.107000  
1 1 1 19 12 13  o 6.7480  0.9334 -2.053000      1.867000  
1 1 1 19 12 14  o 6.3600  0.9738 2.716000       1.948000  
1 1 1 19 12 15  o 10.270  0.6723 0.4625000      1.345000  
1 1 1 19 12 16  o 11.200  0.6077 -0.8471000     1.215000  
1 1 1 19 12 17  o 15.540  0.5084 -0.6200000     1.017000  
1 1 1 19 12 18  o 12.380  0.6570 -0.3376000     1.314000  
1 1 1 19 12 19  o 21.030  0.5581 0.8846000      1.116000  
1 1 1 19 12 20  o 14.950  0.6036 -3.835000      1.207000  
1 1 1 19 12 21  o 9.9790  0.7554 -1.247000      1.511000  
1 1 1 19 12 22  o 16.780  0.5705 1.006000       1.141000  
1 1 1 19 12 23  o 15.360  0.8637 ?              ?         
1 1 1 19 12 24  o 12.210  0.6840 1.232000       1.368000  
1 1 1 19 12 25  o 7.7560  0.9927 -2.570000      1.985000  
1 1 1 19 12 26  o 8.2540  0.9311 -2.630000      1.862000  
1 1 1 19 12 27  o 11.420  0.7201 -0.1578000     1.440000  
1 1 1 19 12 28  o 6.7850  1.0940 -2.733000      2.188000  
1 1 1 19 12 29  o 13.710  0.6411 -0.9386000     1.282000  
1 1 1 19 12 30  o 9.2620  0.8470 -0.8986000     1.694000  
1 1 1 19 12 31  o 5.4300  1.2170 -0.6963000E-01 2.435000  
1 1 1 19 12 32  o 13.310  0.6604 0.8097000      1.321000  
1 1 1 19 12 33  o 12.340  0.6833 0.9213000      1.367000  
1 1 1 19 12 34  o 11.920  0.7053 0.3996000      1.411000  
1 1 1 19 12 35  o 5.2460  1.2250 0.1025000      2.449000  
1 1 1 19 12 36  o 14.360  0.6513 1.561000       1.303000  
1 1 1 19 12 37  o 7.7050  1.0790 -4.524000      2.158000  
1 1 1 19 12 38  o 4.4670  1.2050 1.422000       2.410000  
1 1 1 19 12 39  o 7.3530  1.0500 -5.905000      2.100000  
1 1 1 19 12 40  o 14.740  0.6591 0.4582000      1.318000  
1 1 1 19 12 41  o 9.4710  0.9198 -0.2775000     1.840000  
1 1 1 19 12 42  o 10.330  0.8442 0.6706000E-01  1.688000  
1 1 1 19 12 43  o 13.350  0.6956 0.1875000      1.391000  
1 1 1 19 12 44  o 5.2970  1.3650 0.1598000      2.730000  
1 1 1 19 12 45  o 9.3240  1.1620 2.676000       2.324000  
1 1 1 19 12 46  o 8.7060  1.2800 -1.881000      2.559000  
1 1 1 19 12 47  o 8.5230  1.2830 -1.851000      2.567000  
1 1 1 19 12 48  o 7.8840  1.3930 -0.4053000     2.785000  
1 1 1 19 12 49  o 3.7910  1.2180 0.2194000      2.436000  
1 1 1 19 12 50  o 4.9670  1.3440 -1.205000      2.687000  
1 1 1 19 12 51  o 3.8070  1.2360 0.8916000      2.472000  
1 1 1 19 12 52  o 6.0460  1.4840 0.6182000      2.968000  
1 1 1 19 12 53  o 7.2770  1.3660 -2.087000      2.732000  
1 1 1 19 12 54  o 3.1430  1.0790 0.5244000      2.157000  
1 1 1 19 12 55  o 4.5970  1.3350 -0.2234000     2.670000  
1 1 1 19 12 56  o 4.9190  1.3970 2.237000       2.793000  
1 1 1 19 12 57  o 4.6110  1.3510 0.1659000      2.702000  
1 1 1 19 13 0   o 15.080  0.6282 0.000000       0.000000  
1 1 1 19 13 1   o 7.8430  0.8900 -4.499000      1.780000  
1 1 1 19 13 2   o 17.450  0.4270 0.8714000      0.8540000 
1 1 1 19 13 3   o 16.380  0.5393 -2.719000      1.079000  
1 1 1 19 13 4   o 25.510  0.5039 -0.6455000E-01 1.008000  
1 1 1 19 13 5   o 11.590  0.8049 0.5859000      1.610000  
1 1 1 19 13 6   o 13.710  0.5261 1.609000       1.052000  
1 1 1 19 13 7   o 13.750  0.5516 1.850000       1.103000  
1 1 1 19 13 8   o 19.580  0.4869 0.3412000      0.9738000 
1 1 1 19 13 9   o 14.540  0.7080 2.231000       1.416000  
1 1 1 19 13 10  o 12.750  0.5752 0.6461000      1.150000  
1 1 1 19 13 11  o 9.2850  0.7218 -1.683000      1.444000  
1 1 1 19 13 12  o 12.090  0.5892 0.1289000      1.178000  
1 1 1 19 13 13  o 12.030  0.6633 2.187000       1.327000  
1 1 1 19 13 14  o 28.560  0.5352 0.8659000      1.070000  
1 1 1 19 13 15  o 15.970  0.5951 ?              ?         
1 1 1 19 13 16  o 16.140  0.5090 -2.111000      1.018000  
1 1 1 19 13 17  o 9.0400  0.7574 -0.7651000     1.515000  
1 1 1 19 13 18  o 13.390  0.5696 0.5896000      1.139000  
1 1 1 19 13 19  o 14.960  0.6045 0.2873000      1.209000  
1 1 1 19 13 20  o 16.120  0.5919 -0.1445000     1.184000  
1 1 1 19 13 21  o 9.3930  0.8596 -2.904000      1.719000  
1 1 1 19 13 22  o 4.9950  1.1970 -1.755000      2.394000  
1 1 1 19 13 23  o 4.9410  1.1730 1.829000       2.346000  
1 1 1 19 13 24  f 5.7790  1.2020 1.484000       2.404000  
1 1 1 19 13 25  o 9.4250  0.9214 1.755000       1.843000  
1 1 1 19 13 26  o 14.250  0.6487 -1.654000      1.297000  
1 1 1 19 13 27  o 8.4230  0.9946 -1.759000      1.989000  
1 1 1 19 13 28  o 9.4680  0.9270 1.100000       1.854000  
1 1 1 19 13 29  o 9.5270  0.8764 -0.5352000     1.753000  
1 1 1 19 13 30  o 12.520  0.6981 -0.8239000     1.396000  
1 1 1 19 13 31  o 6.6400  1.1680 -1.555000      2.335000  
1 1 1 19 13 32  f 4.9980  1.2270 -0.9699000     2.455000  
1 1 1 19 13 33  o 3.8560  1.1470 -0.4171000     2.295000  
1 1 1 19 13 34  o 5.6760  1.1750 -2.665000      2.349000  
1 1 1 19 13 35  o 5.3990  1.2420 -0.8994000     2.484000  
1 1 1 19 13 36  o 4.1370  1.1820 1.011000       2.364000  
1 1 1 19 13 37  o 6.1070  1.2530 -1.396000      2.506000  
1 1 1 19 13 38  o 15.020  0.6701 0.7445000      1.340000  
1 1 1 19 13 39  o 12.010  0.7742 -0.8934000     1.548000  
1 1 1 19 13 40  o 6.8470  1.1750 -2.996000      2.350000  
1 1 1 19 13 41  o 5.0590  1.2740 0.3622000      2.548000  
1 1 1 19 13 42  o 4.4570  1.2000 -1.605000      2.401000  
1 1 1 19 13 43  o 3.9550  1.1870 0.7902000      2.374000  
1 1 1 19 13 44  o 9.3680  0.9805 0.4500000E-01  1.961000  
1 1 1 19 13 45  o 8.3830  1.1000 -0.7417000     2.200000  
1 1 1 19 13 46  o 9.1160  1.0460 -0.3969000     2.092000  
1 1 1 19 13 47  o 7.0640  1.6960 ?              ?         
1 1 1 19 13 48  o 3.7040  1.2100 1.517000       2.419000  
1 1 1 19 13 49  o 4.2700  1.2900 0.6577000      2.580000  
1 1 1 19 13 50  o 4.4870  1.3300 0.5687000      2.659000  
1 1 1 19 13 51  o 4.8630  1.3480 -0.8451000E-01 2.696000  
1 1 1 19 13 52  o 4.2940  1.2290 -1.426000      2.457000  
1 1 1 19 13 53  o 7.4490  1.3850 4.262000       2.769000  
1 1 1 19 13 54  f 4.8680  1.3960 2.204000       2.792000  
1 1 1 19 14 0   o 18.860  0.6423 -0.000000      0.000000  
1 1 1 19 14 1   o 13.150  0.6160 -5.549000      1.232000  
1 1 1 19 14 2   o 29.500  0.4986 0.1731000      0.9971000 
1 1 1 19 14 3   o 14.910  0.8155 8.233000       1.631000  
1 1 1 19 14 4   o 18.960  0.4886 0.9935000E-01  0.9773000 
1 1 1 19 14 5   o 10.050  0.9220 2.040000       1.844000  
1 1 1 19 14 6   o 11.600  0.5938 -2.373000      1.188000  
1 1 1 19 14 7   f 9.8610  0.6726 -1.728000      1.345000  
1 1 1 19 14 8   o 6.9020  0.9521 -1.024000      1.904000  
1 1 1 19 14 9   o 7.6450  0.8756 -1.916000      1.751000  
1 1 1 19 14 10  o 11.070  0.6382 0.1966000      1.276000  
1 1 1 19 14 11  o 9.2260  0.7189 -0.6376000     1.438000  
1 1 1 19 14 12  f 7.7250  0.9286 -1.098000      1.857000  
1 1 1 19 14 13  o 8.7860  0.8213 1.653000       1.643000  
1 1 1 19 14 14  o 6.6560  1.0160 0.8573000      2.031000  
1 1 1 19 14 15  f 7.2030  0.9463 -0.9242000     1.893000  
1 1 1 19 14 16  f 5.9420  1.0660 0.4872000      2.131000  
1 1 1 19 14 17  o 10.980  0.6392 -0.9916000     1.278000  
1 1 1 19 14 18  o 8.6010  0.7840 -1.146000      1.568000  
1 1 1 19 14 19  o 5.6490  1.1090 -1.652000      2.219000  
1 1 1 19 14 20  o 6.9010  0.9996 0.2519000E-02  1.999000  
1 1 1 19 14 21  o 4.7810  1.2270 -1.052000      2.455000  
1 1 1 19 14 22  f 11.810  0.7220 -0.4145000     1.444000  
1 1 1 19 14 23  o 8.3150  1.0100 0.4538000      2.020000  
1 1 1 19 14 24  o 16.920  0.6215 2.159000       1.243000  
1 1 1 19 14 25  o 10.710  0.8432 -1.172000      1.686000  
1 1 1 19 14 26  o 6.9240  1.1640 2.097000       2.328000  
1 1 1 19 14 27  o 9.2840  0.9387 -2.106000      1.877000  
1 1 1 19 14 28  o 5.6650  1.2680 0.1777000      2.537000  
1 1 1 19 14 29  o 4.8190  1.2510 -0.6902000     2.502000  
1 1 1 19 14 30  o 4.4160  1.2100 1.163000       2.420000  
1 1 1 19 14 31  o 9.5160  0.9282 -0.9784000     1.856000  
1 1 1 19 14 32  o 10.220  0.8584 -0.8180000     1.717000  
1 1 1 19 14 33  o 5.4230  1.2590 1.725000       2.519000  
1 1 1 19 14 34  o 7.0160  1.2040 -2.067000      2.409000  
1 1 1 19 14 35  o 5.1320  1.2520 1.601000       2.504000  
1 1 1 19 14 36  o 6.8760  1.2090 -0.2956000     2.419000  
1 1 1 19 14 37  o 6.2310  1.2820 -0.3521000     2.563000  
1 1 1 19 14 38  o 7.5760  1.1750 0.8933000      2.351000  
1 1 1 19 14 39  o 6.4260  1.2690 -0.6505000     2.539000  
1 1 1 19 14 40  o 5.1910  1.3060 0.9185000      2.611000  
1 1 1 19 14 41  o 3.7170  1.1560 -0.4767000     2.313000  
1 1 1 19 14 42  o 5.1610  1.3110 0.8877000      2.623000  
1 1 1 19 14 43  o 9.4080  0.9901 0.5112000      1.980000  
1 1 1 19 14 44  o 4.4320  1.2520 0.2660000      2.504000  
1 1 1 19 14 45  o 5.8590  1.2950 -0.6773000     2.591000  
1 1 1 19 14 46  o 3.4680  1.1120 0.1290000      2.224000  
1 1 1 19 14 47  o 5.1940  1.2270 -2.070000      2.455000  
1 1 1 19 14 48  o 3.4920  1.1220 0.5545000      2.243000  
1 1 1 19 14 49  o 3.9430  1.1900 -0.5116000     2.380000  
1 1 1 19 14 50  o 3.2400  1.0690 -0.1780000     2.139000  
1 1 1 19 14 51  o 7.1140  1.2420 -1.047000      2.484000  
1 1 1 19 14 52  o 2.9090  1.0190 0.7824000      2.038000  
1 1 1 19 15 0   o 6.4730  1.4610 0.000000       0.000000  
1 1 1 19 15 1   o 9.6660  0.6489 0.1420000      1.298000  
1 1 1 19 15 2   o 7.6630  0.8951 0.7894000      1.790000  
1 1 1 19 15 3   o 6.0590  0.9774 2.413000       1.955000  
1 1 1 19 15 4   o 7.0420  0.8928 0.4883000      1.786000  
1 1 1 19 15 5   o 8.9800  0.6753 1.029000       1.351000  
1 1 1 19 15 6   o 8.1370  0.8783 1.582000       1.757000  
1 1 1 19 15 7   o 10.750  0.7239 -1.450000      1.448000  
1 1 1 19 15 8   o 22.170  0.5067 0.3997000      1.013000  
1 1 1 19 15 9   f 14.950  0.7281 3.880000       1.456000  
1 1 1 19 15 10  o 11.610  0.6327 -0.7462000     1.265000  
1 1 1 19 15 11  o 10.230  0.7297 0.9519000      1.459000  
1 1 1 19 15 12  o 9.0540  0.8342 1.247000       1.668000  
1 1 1 19 15 13  o 7.5530  0.9632 1.020000       1.926000  
1 1 1 19 15 14  o 16.340  0.5446 1.996000       1.089000  
1 1 1 19 15 15  o 10.380  0.7423 0.1340000      1.485000  
1 1 1 19 15 16  o 10.680  0.6989 -2.059000      1.398000  
1 1 1 19 15 17  o 6.9520  1.0240 -1.764000      2.048000  
1 1 1 19 15 18  o 14.780  0.5685 0.9326000      1.137000  
1 1 1 19 15 19  o 9.6210  0.8004 -0.9613000E-01 1.601000  
1 1 1 19 15 20  o 7.7980  1.0130 0.8335000      2.026000  
1 1 1 19 15 21  o 6.7500  1.1100 0.4441000      2.221000  
1 1 1 19 15 22  o 11.160  0.8027 0.6649000      1.605000  
1 1 1 19 15 23  o 5.4490  1.2750 0.2784000      2.550000  
1 1 1 19 15 24  o 5.0540  1.2620 -1.478000      2.524000  
1 1 1 19 15 25  o 6.2280  1.1670 -3.552000      2.334000  
1 1 1 19 15 26  o 4.2850  1.2160 -1.132000      2.432000  
1 1 1 19 15 27  o 11.050  0.8084 -0.7769000E-01 1.617000  
1 1 1 19 15 28  o 9.0000  0.9860 1.347000       1.972000  
1 1 1 19 15 29  o 7.4050  1.1630 1.068000       2.325000  
1 1 1 19 15 30  o 8.6900  1.0240 -0.2140000     2.048000  
1 1 1 19 15 31  o 4.7630  1.2700 -0.5445000     2.540000  
1 1 1 19 15 32  o 9.1050  0.9835 -0.7033000     1.967000  
1 1 1 19 15 33  o 5.7030  1.2750 -1.289000      2.550000  
1 1 1 19 15 34  o 7.0590  1.2200 0.3183000      2.440000  
1 1 1 19 15 35  o 4.3410  1.2190 -1.393000      2.438000  
1 1 1 19 15 36  f 8.6750  1.0420 -1.419000      2.083000  
1 1 1 19 15 37  o 6.2270  1.2490 2.438000       2.499000  
1 1 1 19 15 38  o 4.6570  1.2030 2.312000       2.405000  
1 1 1 19 15 39  f 6.5760  1.2800 -0.5024000     2.560000  
1 1 1 19 15 40  o 6.5130  1.2540 1.256000       2.507000  
1 1 1 19 15 41  o 8.6860  1.0780 0.2012000      2.156000  
1 1 1 19 15 42  o 4.6760  1.2940 0.1366000      2.588000  
1 1 1 19 15 43  o 3.4820  1.1160 -0.2315000     2.233000  
1 1 1 19 15 44  o 3.5150  1.1200 0.1004000      2.239000  
1 1 1 19 15 45  o 4.2280  1.2130 -1.311000      2.426000  
1 1 1 19 15 46  o 7.1830  1.2770 0.4239000      2.554000  
1 1 1 19 15 47  o 4.0870  1.2290 -0.1794000E-01 2.457000  
1 1 1 19 15 48  o 3.7330  1.1790 -0.1669000     2.358000  
1 1 1 19 15 49  o 3.5670  1.1360 -0.4406000     2.273000  
1 1 1 19 15 50  o 4.2170  1.8310 ?              ?         
1 1 1 19 16 0   o 12.210  0.7869 0.000000       0.000000  
1 1 1 19 16 1   o 11.280  0.5902 0.3756000      1.180000  
1 1 1 19 16 2   o 12.830  0.5463 1.125000       1.093000  
1 1 1 19 16 3   o 9.8450  0.7420 0.2673000      1.484000  
1 1 1 19 16 4   o 15.220  0.4924 0.4288000      0.9848000 
1 1 1 19 16 5   o 11.100  0.6023 2.401000       1.205000  
1 1 1 19 16 6   o 12.840  0.5259 -0.3337000     1.052000  
1 1 1 19 16 7   o 6.3240  0.9934 0.4674000      1.987000  
1 1 1 19 16 8   o 4.6780  1.1340 0.4285000      2.269000  
1 1 1 19 16 9   o 8.2430  0.9402 -2.428000      1.880000  
1 1 1 19 16 10  o 18.650  0.6275 1.053000       1.255000  
1 1 1 19 16 11  o 13.880  0.5770 -1.950000      1.154000  
1 1 1 19 16 12  o 15.270  0.5549 -0.2513000E-01 1.110000  
1 1 1 19 16 13  o 15.590  0.5482 -0.3645000     1.096000  
1 1 1 19 16 14  o 8.6950  0.9221 2.499000       1.844000  
1 1 1 19 16 15  o 4.4850  1.1540 -0.1066000E-02 2.307000  
1 1 1 19 16 16  o 12.430  0.6275 -1.905000      1.255000  
1 1 1 19 16 17  o 8.2690  0.9172 -0.8302000     1.834000  
1 1 1 19 16 18  o 8.8580  0.8706 -0.4494000E-01 1.741000  
1 1 1 19 16 19  o 7.3950  1.0420 0.4692000      2.084000  
1 1 1 19 16 20  o 3.7640  1.1440 0.9139000E-01  2.288000  
1 1 1 19 16 21  o 5.5960  1.1890 0.1888000E-01  2.378000  
1 1 1 19 16 22  o 7.3720  1.0600 1.067000       2.119000  
1 1 1 19 16 23  o 9.8860  0.8989 3.330000       1.798000  
1 1 1 19 16 24  o 9.8460  0.8912 -0.1025000     1.782000  
1 1 1 19 16 25  f 5.0850  1.2150 -2.631000      2.430000  
1 1 1 19 16 26  o 4.7380  1.2500 0.5035000      2.499000  
1 1 1 19 16 27  o 4.1810  1.1980 0.6844000      2.396000  
1 1 1 19 16 28  o 4.2770  1.2270 -0.7338000     2.454000  
1 1 1 19 16 29  o 6.2260  1.2610 -0.2524000     2.522000  
1 1 1 19 16 30  o 4.9410  1.2670 -1.675000      2.534000  
1 1 1 19 16 31  o 4.0680  1.1970 -1.231000      2.395000  
1 1 1 19 16 32  o 4.8580  1.2680 -1.072000      2.536000  
1 1 1 19 16 33  o 4.4910  1.2490 -1.132000      2.499000  
1 1 1 19 16 34  o 5.8320  1.2850 -1.455000      2.570000  
1 1 1 19 16 35  o 6.3920  1.2830 -0.6306000     2.567000  
1 1 1 19 16 36  o 4.1220  1.2090 0.7054000      2.418000  
1 1 1 19 16 37  o 5.5730  1.2510 2.427000       2.503000  
1 1 1 19 16 38  o 4.0350  1.1870 1.388000       2.374000  
1 1 1 19 16 39  o 3.8060  1.1680 -1.179000      2.337000  
1 1 1 19 16 40  o 4.6050  1.2720 0.6306000      2.543000  
1 1 1 19 16 41  o 5.4960  1.2470 -2.526000      2.494000  
1 1 1 19 16 42  o 3.8830  1.1870 -0.3099000     2.374000  
1 1 1 19 16 43  o 3.4520  1.0980 -1.363000      2.197000  
1 1 1 19 16 44  o 4.4550  1.2610 -0.6768000     2.522000  
1 1 1 19 16 45  o 4.4710  1.2570 -0.3884000     2.513000  
1 1 1 19 16 46  o 3.9310  1.2070 1.255000       2.414000  
1 1 1 19 16 47  o 3.4950  1.5700 ?              ?         
1 1 1 19 17 0   o 10.450  0.9156 -0.000000      0.000000  
1 1 1 19 17 1   o 6.3890  1.0160 0.6705000      2.032000  
1 1 1 19 17 2   o 7.3860  0.9771 -5.112000      1.954000  
1 1 1 19 17 3   o 19.720  0.5171 -0.4457000     1.034000  
1 1 1 19 17 4   o 14.810  0.5095 1.218000       1.019000  
1 1 1 19 17 5   o 11.080  0.6984 1.588000       1.397000  
1 1 1 19 17 6   o 15.300  0.4912 -0.2789000E-01 0.9824000 
1 1 1 19 17 7   o 5.8640  1.0070 3.556000       2.013000  
1 1 1 19 17 8   o 8.3640  0.7528 -0.1221000     1.506000  
1 1 1 19 17 9   o 12.640  0.6227 1.031000       1.245000  
1 1 1 19 17 10  o 7.5600  1.0460 -1.284000      2.092000  
1 1 1 19 17 11  o 13.070  0.6032 -0.3519000     1.206000  
1 1 1 19 17 12  o 7.5130  1.0800 5.451000       2.159000  
1 1 1 19 17 13  o 6.8010  1.0510 -2.522000      2.102000  
1 1 1 19 17 14  o 8.2360  0.9600 2.086000       1.920000  
1 1 1 19 17 15  o 13.050  0.6284 0.1329000      1.257000  
1 1 1 19 17 16  o 9.6520  0.8852 2.731000       1.770000  
1 1 1 19 17 17  o 4.6410  1.2840 -1.119000      2.569000  
1 1 1 19 17 18  o 10.410  0.8433 2.662000       1.687000  
1 1 1 19 17 19  o 17.260  0.5607 0.2815000      1.121000  
1 1 1 19 17 20  o 7.8660  1.0060 -1.237000      2.011000  
1 1 1 19 17 21  o 4.1560  1.1710 -2.489000      2.342000  
1 1 1 19 17 22  o 6.0820  1.3200 -0.1972000     2.640000  
1 1 1 19 17 23  o 3.4810  1.0950 -0.9235000     2.190000  
1 1 1 19 17 24  o 4.7990  1.1930 0.8070000E-01  2.385000  
1 1 1 19 17 25  o 7.2290  1.1920 0.8141000      2.384000  
1 1 1 19 17 26  o 7.2170  1.2170 -0.6569000     2.434000  
1 1 1 19 17 27  o 5.9760  1.3870 0.2137000      2.773000  
1 1 1 19 17 28  o 9.0080  1.0970 3.916000       2.193000  
1 1 1 19 17 29  o 6.1100  1.2860 -1.271000      2.573000  
1 1 1 19 17 30  o 3.9310  1.1870 0.1008000      2.374000  
1 1 1 19 17 31  o 5.0670  1.3060 -0.4510000     2.611000  
1 1 1 19 17 32  o 5.8330  1.2950 -1.120000      2.591000  
1 1 1 19 17 33  o 5.7780  1.3050 -0.9883000     2.610000  
1 1 1 19 17 34  o 5.6520  1.2810 1.881000       2.562000  
1 1 1 19 17 35  o 4.0690  1.1890 -1.725000      2.378000  
1 1 1 19 17 36  o 3.7670  1.1700 -0.5424000     2.339000  
1 1 1 19 17 37  o 4.5710  1.2570 -1.387000      2.513000  
1 1 1 19 17 38  o 3.8010  1.1660 0.6312000      2.332000  
1 1 1 19 17 39  o 4.8540  1.2360 -2.346000      2.473000  
1 1 1 19 17 40  f 3.9990  1.1990 0.7628000E-01  2.398000  
1 1 1 19 17 41  o 3.6310  1.1370 0.2352000      2.273000  
1 1 1 19 17 42  o 4.8860  1.2790 2.268000       2.558000  
1 1 1 19 17 43  o 4.2900  1.7470 ?              ?         
1 1 1 19 17 44  f 3.7500  1.8010 ?              ?         
1 1 1 19 18 0   o 2.3080  1.5480 0.000000       0.000000  
1 1 1 19 18 1   f 5.0280  1.0970 0.1051000      2.193000  
1 1 1 19 18 2   o 7.0340  0.9279 -0.7928000     1.856000  
1 1 1 19 18 3   f 9.8630  0.7320 -0.1179000     1.464000  
1 1 1 19 18 4   o 5.4870  1.0690 -1.153000      2.138000  
1 1 1 19 18 5   o 9.4680  0.6939 -0.9265000     1.388000  
1 1 1 19 18 6   o 13.760  0.5899 -0.5083000     1.180000  
1 1 1 19 18 7   o 14.450  0.5231 0.3908000      1.046000  
1 1 1 19 18 8   o 17.450  0.4853 1.436000       0.9707000 
1 1 1 19 18 9   o 6.7750  1.0410 3.420000       2.083000  
1 1 1 19 18 10  o 13.020  0.6428 1.199000       1.286000  
1 1 1 19 18 11  o 16.170  0.5609 0.4312000      1.122000  
1 1 1 19 18 12  o 9.4820  1.1770 7.021000       2.354000  
1 1 1 19 18 13  o 16.230  0.7357 0.9465000      1.471000  
1 1 1 19 18 14  f 11.920  0.6957 0.4579000      1.391000  
1 1 1 19 18 15  o 6.2890  1.1490 -1.319000      2.297000  
1 1 1 19 18 16  o 12.340  0.6998 1.647000       1.400000  
1 1 1 19 18 17  o 11.370  1.0130 0.8023000      2.026000  
1 1 1 19 18 18  o 13.600  0.6453 -0.1621000E-03 1.291000  
1 1 1 19 18 19  o 7.1000  1.0800 -1.575000      2.160000  
1 1 1 19 18 20  o 4.3160  1.2810 -2.983000      2.562000  
1 1 1 19 18 21  o 4.4640  1.2170 -2.403000      2.434000  
1 1 1 19 18 22  o 9.4240  0.9612 1.198000       1.922000  
1 1 1 19 18 23  o 4.1960  1.1530 0.7041000      2.307000  
1 1 1 19 18 24  o 5.8590  1.1200 3.201000       2.239000  
1 1 1 19 18 25  o 6.6480  1.0880 3.196000       2.177000  
1 1 1 19 18 26  o 3.5020  1.1190 -0.9107000E-01 2.237000  
1 1 1 19 18 27  o 4.3010  1.2680 -2.349000      2.535000  
1 1 1 19 18 28  o 8.7060  1.0560 -0.6042000     2.112000  
1 1 1 19 18 29  o 4.2900  1.2350 0.5289000      2.470000  
1 1 1 19 18 30  o 4.2750  1.2570 0.8027000      2.514000  
1 1 1 19 18 31  o 4.1570  1.2280 -0.1276000     2.456000  
1 1 1 19 18 32  o 5.4110  1.3160 -0.1813000     2.632000  
1 1 1 19 18 33  o 3.8420  1.1990 -1.616000      2.398000  
1 1 1 19 18 34  o 3.3870  1.1010 -0.5946000     2.202000  
1 1 1 19 18 35  o 4.6170  1.2640 0.1384000      2.528000  
1 1 1 19 18 36  o 3.8020  1.1700 -0.6873000E-01 2.340000  
1 1 1 19 18 37  o 3.4310  1.1030 0.2150000      2.207000  
1 1 1 19 18 38  f 4.0740  1.2280 0.3970000E-01  2.455000  
1 1 1 19 18 39  o 4.0180  1.3130 0.7541000      2.626000  
1 1 1 19 18 40  o 3.6990  1.7780 ?              ?         
1 1 1 19 19 0   f 3.4000  1.8740 0.000000       0.000000  
1 1 1 19 19 1   o 5.4120  1.1310 0.2240000      2.262000  
1 1 1 19 19 2   o 10.040  0.6819 -0.3359000     1.364000  
1 1 1 19 19 3   o 10.210  0.7566 -0.7220000E-01 1.513000  
1 1 1 19 19 4   o 10.350  0.6705 -1.053000      1.341000  
1 1 1 19 19 5   o 8.0370  1.0170 -5.415000      2.034000  
1 1 1 19 19 6   o 17.810  0.4958 0.1159000      0.9917000 
1 1 1 19 19 7   o 16.590  0.5012 1.115000       1.002000  
1 1 1 19 19 8   o 11.460  0.7206 2.495000       1.441000  
1 1 1 19 19 9   o 6.8440  0.9787 1.738000       1.957000  
1 1 1 19 19 10  o 4.4370  1.0600 1.852000       2.120000  
1 1 1 19 19 11  o 5.2250  1.1080 1.653000       2.215000  
1 1 1 19 19 12  o 6.8980  1.0820 -2.172000      2.163000  
1 1 1 19 19 13  o 15.100  0.6069 2.730000       1.214000  
1 1 1 19 19 14  o 10.480  1.0310 0.2200000      2.062000  
1 1 1 19 19 15  o 17.630  0.5516 0.2495000      1.103000  
1 1 1 19 19 16  o 7.4690  1.2380 1.298000       2.476000  
1 1 1 19 19 17  o 5.8870  1.3450 -1.736000      2.691000  
1 1 1 19 19 18  o 5.4040  1.2110 -0.1663000     2.423000  
1 1 1 19 19 19  o 9.2520  1.1760 1.649000       2.351000  
1 1 1 19 19 20  o 11.550  0.7426 -0.1146000     1.485000  
1 1 1 19 19 21  o 4.9560  1.2340 -1.317000      2.467000  
1 1 1 19 19 22  o 7.9730  1.1860 1.247000       2.372000  
1 1 1 19 19 23  o 3.6090  1.1070 -1.368000      2.213000  
1 1 1 19 19 24  o 4.6730  1.1370 -3.153000      2.274000  
1 1 1 19 19 25  o 3.4410  1.0580 0.7038000      2.116000  
1 1 1 19 19 26  o 4.4150  1.1470 1.045000       2.294000  
1 1 1 19 19 27  o 3.8360  1.1390 -0.4839000     2.279000  
1 1 1 19 19 28  f 3.4920  1.1390 0.1049000E-02  2.278000  
1 1 1 19 19 29  f 6.4580  1.2500 2.011000       2.499000  
1 1 1 19 19 30  o 5.5400  1.3530 0.8928000      2.706000  
1 1 1 19 19 31  f 3.8600  1.1820 -0.1678000     2.363000  
1 1 1 19 19 32  o 3.5420  1.0980 1.187000       2.195000  
1 1 1 19 19 33  o 3.7050  1.1510 -1.263000      2.301000  
1 1 1 19 19 34  o 4.2940  1.3650 -0.1910000     2.731000  
1 1 1 19 19 35  o 4.0060  1.9680 ?              ?         
1 1 1 19 20 0   o 7.3990  1.4200 0.000000       0.000000  
1 1 1 19 20 1   o 8.8180  0.8145 0.8072000      1.629000  
1 1 1 19 20 2   o 8.1730  0.9058 0.4374000      1.812000  
1 1 1 19 20 3   f 6.0460  1.0950 -0.3386000     2.190000  
1 1 1 19 20 4   f 8.4150  0.8559 -0.5851000     1.712000  
1 1 1 19 20 5   o 13.620  0.6345 0.2553000      1.269000  
1 1 1 19 20 6   o 8.2330  0.9824 -1.527000      1.965000  
1 1 1 19 20 7   o 14.520  0.6046 -0.7852000     1.209000  
1 1 1 19 20 8   o 8.9550  0.7802 -0.4326000     1.560000  
1 1 1 19 20 9   o 5.6940  1.1810 0.7988000      2.363000  
1 1 1 19 20 10  o 5.8470  1.1000 0.6902000      2.200000  
1 1 1 19 20 11  o 11.390  0.6350 -0.6661000     1.270000  
1 1 1 19 20 12  o 11.990  0.6667 0.4113000      1.333000  
1 1 1 19 20 13  o 6.9280  1.0980 -2.978000      2.195000  
1 1 1 19 20 14  o 6.1330  1.3450 -2.174000      2.690000  
1 1 1 19 20 15  f 3.9840  1.1670 -1.053000      2.334000  
1 1 1 19 20 16  o 5.0710  1.1980 -3.086000      2.396000  
1 1 1 19 20 17  o 11.710  0.9904 3.487000       1.981000  
1 1 1 19 20 18  o 13.210  0.6510 0.4924000      1.302000  
1 1 1 19 20 19  o 7.4850  1.1390 3.698000       2.277000  
1 1 1 19 20 20  o 10.530  0.8072 1.451000       1.614000  
1 1 1 19 20 21  o 4.5490  1.2240 0.4789000      2.448000  
1 1 1 19 20 22  o 4.9550  1.1790 0.9645000      2.358000  
1 1 1 19 20 23  o 3.8000  1.1270 -1.185000      2.254000  
1 1 1 19 20 24  o 7.3330  1.1740 -1.783000      2.349000  
1 1 1 19 20 25  o 4.1910  1.1640 -2.307000      2.328000  
1 1 1 19 20 26  o 3.3010  1.0560 0.1788000      2.112000  
1 1 1 19 20 27  f 3.4770  1.1050 -0.3017000     2.211000  
1 1 1 19 20 28  o 5.3690  1.3920 1.765000       2.784000  
1 1 1 19 21 0   o 2.9700  1.7720 0.000000       0.000000  
1 1 1 19 21 1   o 6.5060  1.0730 1.054000       2.145000  
1 1 1 19 21 2   o 6.1300  1.0910 -2.986000      2.181000  
1 1 1 19 21 3   o 15.320  0.5375 -0.4063000     1.075000  
1 1 1 19 21 4   o 9.3230  0.8280 2.718000       1.656000  
1 1 1 19 21 5   o 4.4630  1.1640 1.277000       2.329000  
1 1 1 19 21 6   o 3.8870  1.1290 0.2601000      2.258000  
1 1 1 19 21 7   o 5.6520  1.1450 -0.3774000     2.289000  
1 1 1 19 21 8   o 8.4450  1.0440 3.536000       2.087000  
1 1 1 19 21 9   o 10.400  0.7341 0.9346000      1.468000  
1 1 1 19 21 10  o 10.870  0.7078 1.207000       1.416000  
1 1 1 19 21 11  o 8.1320  0.9113 -1.687000      1.823000  
1 1 1 19 21 12  o 7.7610  0.9361 -1.169000      1.872000  
1 1 1 19 21 13  o 9.7800  0.8707 1.716000       1.741000  
1 1 1 19 21 14  o 9.9410  0.8503 0.8843000      1.701000  
1 1 1 19 21 15  o 4.9470  1.1560 2.148000       2.311000  
1 1 1 19 21 16  o 5.3800  1.1870 -2.929000      2.375000  
1 1 1 19 21 17  f 5.0620  1.0350 3.450000       2.070000  
1 1 1 19 21 18  o 3.9610  1.1450 -0.7967000E-01 2.291000  
1 1 1 19 21 19  o 4.9450  1.2390 0.5399000      2.479000  
1 1 1 19 21 20  o 4.6460  1.3920 0.2400000      2.784000  
1 1 1 19 22 0   o 4.7810  2.9660 -0.000000      0.000000  
1 1 1 19 22 1   o 4.3180  1.3650 0.7298000      2.730000  
1 1 1 19 22 2   o 3.4600  1.2110 -0.9772000     2.421000  
1 1 1 19 22 3   o 4.5690  1.4780 -1.522000      2.956000  
1 1 1 19 22 4   o 4.4510  1.4280 -0.3193000     2.856000  
1 1 1 19 22 5   o 5.4960  1.7290 -0.4574000     3.458000  
1 1 1 19 22 6   o 3.9690  1.9500 ?              ?         
1 1 1 19 22 7   o 3.7330  1.8530 ?              ?         
1 1 1 19 22 8   f 3.7010  1.8400 ?              ?         
1 1 1 19 22 9   o 3.6210  1.8040 ?              ?         
1 1 1 20 0  0   o 38.350  1.5650 -0.000000      0.000000  
1 1 1 20 0  2   o 4.4390  1.3810 0.000000       0.000000  
1 1 1 20 0  3   o 9.8590  0.6269 0.000000       0.000000  
1 1 1 20 0  4   o 7.7070  0.7412 0.000000       0.000000  
1 1 1 20 0  5   o 18.580  0.6161 0.000000       0.000000  
1 1 1 20 0  7   o 27.240  0.8047 -0.000000      0.000000  
1 1 1 20 0  8   o 21.180  0.9307 0.000000       0.000000  
1 1 1 20 0  9   o 21.480  0.9435 0.000000       0.000000  
1 1 1 20 0  10  o 11.720  0.8770 -0.000000      0.000000  
1 1 1 20 0  11  o 13.250  0.8627 0.000000       0.000000  
1 1 1 20 0  12  o 12.780  0.8888 0.000000       0.000000  
1 1 1 20 0  13  f 3.5320  1.8640 0.000000       0.000000  
1 1 1 20 0  15  o 18.000  0.9338 0.000000       0.000000  
1 1 1 20 0  30  o 2.3090  1.2100 0.000000       0.000000  
1 1 1 20 0  31  f 5.3670  1.0540 0.000000       0.000000  
1 1 1 20 0  32  o 12.910  0.6875 0.000000       0.000000  
1 1 1 20 0  33  o 12.870  0.7150 0.000000       0.000000  
1 1 1 20 0  34  o 5.8420  1.2810 0.000000       0.000000  
1 1 1 20 0  35  o 2.6870  1.5460 0.000000       0.000000  
1 1 1 20 0  36  o 17.560  0.8551 0.000000       0.000000  
1 1 1 20 0  37  f 18.830  0.9219 0.000000       0.000000  
1 1 1 20 0  38  o 14.400  0.9086 0.000000       0.000000  
1 1 1 20 0  39  o 3.6770  1.9810 0.000000       0.000000  
1 1 1 20 0  40  o 13.320  1.0100 0.000000       0.000000  
1 1 1 20 0  41  o 7.2580  1.8850 0.000000       0.000000  
1 1 1 20 0  42  o 9.4690  1.4780 0.000000       0.000000  
1 1 1 20 0  43  o 7.6200  1.9390 0.000000       0.000000  
1 1 1 20 0  44  o 13.780  1.1930 0.000000       0.000000  
1 1 1 20 0  45  o 10.170  1.4640 0.000000       0.000000  
1 1 1 20 0  46  o 6.0020  2.4030 0.000000       0.000000  
1 1 1 20 0  47  o 2.8270  1.8910 0.000000       0.000000  
1 1 1 20 0  48  o 3.4520  2.1310 0.000000       0.000000  
1 1 1 20 0  49  o 4.8910  2.5090 0.000000       0.000000  
1 1 1 20 0  50  o 6.9050  2.6910 0.000000       0.000000  
1 1 1 20 0  51  o 10.170  2.0140 0.000000       0.000000  
1 1 1 20 0  52  o 2.6280  1.8260 0.000000       0.000000  
1 1 1 20 0  53  o 3.0340  2.0370 0.000000       0.000000  
1 1 1 20 0  54  o 3.6250  2.3290 0.000000       0.000000  
1 1 1 20 0  55  o 2.9190  2.0200 0.000000       0.000000  
1 1 1 20 0  56  o 4.3370  2.5810 0.000000       0.000000  
1 1 1 20 0  57  o 2.7670  1.9400 0.000000       0.000000  
1 1 1 20 0  58  o 3.2900  2.2220 0.000000       0.000000  
1 1 1 20 0  59  o 2.8850  2.0150 0.000000       0.000000  
1 1 1 20 0  60  o 3.5650  2.3380 0.000000       0.000000  
1 1 1 20 0  61  o 2.6610  1.8850 0.000000       0.000000  
1 1 1 20 0  62  o 5.0760  2.7700 0.000000       0.000000  
1 1 1 20 0  63  o 4.3100  2.6030 0.000000       0.000000  
1 1 1 20 0  64  o 4.1250  2.5700 0.000000       0.000000  
1 1 1 20 1  0   o 11.120  0.5847 0.000000       0.000000  
1 1 1 20 1  1   o 13.770  0.4028 0.2356000      0.8055000 
1 1 1 20 1  2   o 17.800  0.4242 -0.8295000     0.8484000 
1 1 1 20 1  3   o 15.180  0.5848 ?              ?         
1 1 1 20 1  4   o 11.740  0.4195 0.3396000      0.8391000 
1 1 1 20 1  5   o 12.080  0.4046 -0.6708000     0.8093000 
1 1 1 20 1  6   o 21.420  0.5770 0.5059000      1.154000  
1 1 1 20 1  7   o 19.710  0.5507 -0.7352000     1.101000  
1 1 1 20 1  8   f 13.060  0.6168 -5.892000      1.234000  
1 1 1 20 1  9   o 19.360  0.5234 1.747000       1.047000  
1 1 1 20 1  10  o 12.570  0.5137 -2.144000      1.027000  
1 1 1 20 1  11  f 15.640  0.9123 ?              ?         
1 1 1 20 1  12  o 13.870  0.9554 ?              ?         
1 1 1 20 1  13  o 14.610  0.9609 ?              ?         
1 1 1 20 1  14  o 15.530  0.9659 ?              ?         
1 1 1 20 1  15  o 17.700  0.9847 ?              ?         
1 1 1 20 1  16  o 26.000  1.1630 ?              ?         
1 1 1 20 1  18  o 24.680  1.1560 ?              ?         
1 1 1 20 1  19  o 26.850  1.2380 ?              ?         
1 1 1 20 1  20  o 13.080  1.2670 ?              ?         
1 1 1 20 1  21  o 17.620  1.1590 ?              ?         
1 1 1 20 1  22  o 12.540  1.4780 ?              ?         
1 1 1 20 1  23  o 11.010  1.6960 ?              ?         
1 1 1 20 1  24  o 21.060  1.2730 ?              ?         
1 1 1 20 1  25  o 14.340  1.4560 ?              ?         
1 1 1 20 1  26  o 28.970  1.2160 ?              ?         
1 1 1 20 1  27  o 5.7340  1.1200 ?              ?         
1 1 1 20 1  28  o 10.980  0.6984 ?              ?         
1 1 1 20 1  29  o 3.8400  1.2900 ?              ?         
1 1 1 20 1  30  o 10.790  0.7212 ?              ?         
1 1 1 20 1  31  o 5.3410  1.1720 ?              ?         
1 1 1 20 1  32  o 5.3630  1.2590 ?              ?         
1 1 1 20 1  33  o 6.7550  1.1080 ?              ?         
1 1 1 20 1  34  o 3.2080  0.8827 0.6737000      1.765000  
1 1 1 20 1  35  o 8.9090  0.6510 -1.709000      1.302000  
1 1 1 20 1  36  o 9.6400  0.6415 0.1831000      1.283000  
1 1 1 20 1  37  o 10.750  0.6633 1.454000       1.327000  
1 1 1 20 1  38  o 4.0490  1.1160 -0.9655000E-01 2.231000  
1 1 1 20 1  39  o 3.8890  1.1210 -0.5358000     2.241000  
1 1 1 20 1  40  f 4.8690  1.2110 1.136000       2.422000  
1 1 1 20 1  41  o 4.8420  1.2350 -0.8739000     2.470000  
1 1 1 20 1  42  o 16.670  0.7319 -0.1685000     1.464000  
1 1 1 20 1  43  o 13.550  0.8171 -0.6136000E-01 1.634000  
1 1 1 20 1  44  o 5.4210  1.2470 3.251000       2.493000  
1 1 1 20 1  45  o 14.530  0.8768 1.842000       1.754000  
1 1 1 20 1  46  f 5.7340  1.3260 -3.077000      2.651000  
1 1 1 20 1  47  o 5.6510  1.4060 1.059000       2.813000  
1 1 1 20 1  48  o 5.0090  1.4260 0.3098000      2.851000  
1 1 1 20 1  49  o 6.9040  1.4260 3.420000       2.853000  
1 1 1 20 1  50  o 4.3790  1.3350 1.393000       2.670000  
1 1 1 20 1  51  o 7.0060  1.5930 0.1716000      3.186000  
1 1 1 20 1  52  o 5.4350  1.5590 0.3635000      3.119000  
1 1 1 20 1  53  f 4.5430  1.4340 -0.3950000     2.867000  
1 1 1 20 1  54  o 4.0440  1.3260 0.4943000      2.653000  
1 1 1 20 1  55  o 5.8430  1.6210 -0.3322000     3.241000  
1 1 1 20 1  56  o 5.1930  1.5470 1.066000       3.095000  
1 1 1 20 1  57  o 4.1770  1.3880 -0.4562000     2.776000  
1 1 1 20 1  58  o 4.1600  1.3700 1.377000       2.741000  
1 1 1 20 1  59  o 5.3930  1.5780 2.904000       3.156000  
1 1 1 20 1  60  o 5.2030  1.5780 -1.327000      3.155000  
1 1 1 20 1  61  o 4.4610  1.4290 0.3497000E-02  2.859000  
1 1 1 20 1  62  o 4.0430  1.3370 -0.1392000     2.673000  
1 1 1 20 1  63  f 4.3040  1.4020 -0.2008000     2.803000  
1 1 1 20 1  64  f 3.4660  1.2050 0.5817000      2.411000  
1 1 1 20 2  0   o 8.1970  0.6857 0.000000       0.000000  
1 1 1 20 2  1   o 17.640  0.3969 -0.4674000     0.7938000 
1 1 1 20 2  2   o 11.860  0.3997 1.585000       0.7993000 
1 1 1 20 2  3   o 18.560  0.4013 -0.6967000     0.8025000 
1 1 1 20 2  4   o 12.080  0.5345 ?              ?         
1 1 1 20 2  5   o 18.790  0.5142 1.345000       1.028000  
1 1 1 20 2  6   o 23.590  0.6338 -0.7373000     1.268000  
1 1 1 20 2  7   o 16.500  0.8550 ?              ?         
1 1 1 20 2  8   o 33.840  1.0060 0.1163000      2.013000  
1 1 1 20 2  9   o 17.890  0.6792 -6.824000      1.358000  
1 1 1 20 2  10  o 25.340  0.7906 -0.1112000     1.581000  
1 1 1 20 2  11  o 15.040  0.6714 -4.764000      1.343000  
1 1 1 20 2  12  o 23.280  0.7580 2.814000       1.516000  
1 1 1 20 2  13  o 22.150  0.7461 -3.698000      1.492000  
1 1 1 20 2  14  f 10.780  1.1120 ?              ?         
1 1 1 20 2  15  o 30.770  1.3360 ?              ?         
1 1 1 20 2  16  o 21.210  1.0610 ?              ?         
1 1 1 20 2  17  o 23.900  1.1260 ?              ?         
1 1 1 20 2  18  o 19.880  1.0450 ?              ?         
1 1 1 20 2  19  o 15.450  1.0990 ?              ?         
1 1 1 20 2  20  o 11.070  1.4090 ?              ?         
1 1 1 20 2  21  o 20.090  1.1560 ?              ?         
1 1 1 20 2  22  o 15.660  1.2370 ?              ?         
1 1 1 20 2  23  o 19.240  1.2220 ?              ?         
1 1 1 20 2  24  o 10.620  0.9662 -0.6953000     1.932000  
1 1 1 20 2  25  o 5.2230  1.3460 -2.276000      2.692000  
1 1 1 20 2  26  o 10.770  1.0170 -1.084000      2.034000  
1 1 1 20 2  27  f 7.6830  1.2920 1.178000       2.584000  
1 1 1 20 2  28  o 5.3250  1.3380 -0.5605000     2.677000  
1 1 1 20 2  29  o 15.910  0.9257 1.377000       1.851000  
1 1 1 20 2  30  o 11.810  1.0610 -1.686000      2.123000  
1 1 1 20 2  31  f 7.6710  1.3940 0.1761000      2.789000  
1 1 1 20 2  32  o 9.5150  1.3670 2.150000       2.734000  
1 1 1 20 2  33  o 7.3350  1.4380 -0.3940000     2.877000  
1 1 1 20 2  34  o 10.550  0.8972 ?              ?         
1 1 1 20 2  35  f 11.280  0.9257 ?              ?         
1 1 1 20 2  36  o 6.7000  0.6882 8.866000       1.376000  
1 1 1 20 2  37  o 8.5550  0.7857 -0.4101000     1.571000  
1 1 1 20 2  38  o 7.1320  0.9905 1.392000       1.981000  
1 1 1 20 2  39  o 9.0320  0.8829 -0.6083000     1.766000  
1 1 1 20 2  40  o 4.0330  1.1660 -0.1427000     2.332000  
1 1 1 20 2  41  o 6.4680  1.2050 -1.159000      2.410000  
1 1 1 20 2  42  f 6.5680  1.2000 -2.785000      2.399000  
1 1 1 20 2  43  o 12.130  0.8730 0.4008000      1.746000  
1 1 1 20 2  44  f 11.770  0.9373 -0.7462000     1.875000  
1 1 1 20 2  45  o 7.4310  1.3440 1.392000       2.688000  
1 1 1 20 2  46  o 7.1280  1.4390 0.7386000      2.877000  
1 1 1 20 2  47  o 12.800  0.9965 1.214000       1.993000  
1 1 1 20 2  48  o 5.9590  1.4670 1.045000       2.934000  
1 1 1 20 2  49  o 4.3140  1.3280 0.7228000      2.657000  
1 1 1 20 2  50  o 4.9420  1.4480 0.6598000      2.895000  
1 1 1 20 2  51  o 5.5700  1.5610 -0.2290000     3.122000  
1 1 1 20 2  52  o 4.7020  1.4470 0.7180000      2.894000  
1 1 1 20 2  53  o 4.5010  1.4290 0.1731000      2.858000  
1 1 1 20 2  54  o 8.3040  1.5430 4.358000       3.085000  
1 1 1 20 2  55  f 6.9790  1.6650 2.053000       3.330000  
1 1 1 20 2  56  o 4.5140  1.4190 1.212000       2.839000  
1 1 1 20 2  57  o 9.8920  1.5410 4.502000       3.082000  
1 1 1 20 2  58  o 5.5740  1.6100 1.330000       3.219000  
1 1 1 20 2  59  o 4.7000  1.4940 -0.3053000     2.987000  
1 1 1 20 2  60  o 4.1840  1.9690 ?              ?         
1 1 1 20 2  61  o 4.1710  1.3520 2.384000       2.704000  
1 1 1 20 2  62  o 4.1400  1.3370 -1.534000      2.673000  
1 1 1 20 2  63  o 3.4930  1.7020 ?              ?         
1 1 1 20 2  64  o 3.5050  1.7230 ?              ?         
1 1 1 20 3  0   o 13.890  0.7137 0.000000       0.000000  
1 1 1 20 3  1   f 15.870  0.4699 2.235000       0.9399000 
1 1 1 20 3  2   o 20.300  0.4998 0.9614000      0.9997000 
1 1 1 20 3  3   f 20.700  0.4895 0.3461000      0.9790000 
1 1 1 20 3  4   o 25.090  0.5793 -0.3737000     1.159000  
1 1 1 20 3  5   o 14.470  0.6658 ?              ?         
1 1 1 20 3  6   o 12.860  0.6418 -1.066000      1.284000  
1 1 1 20 3  7   o 9.8060  0.7630 -2.507000      1.526000  
1 1 1 20 3  8   o 13.180  0.6296 0.7996000      1.259000  
1 1 1 20 3  9   o 16.570  0.6274 1.264000       1.255000  
1 1 1 20 3  10  o 18.330  0.6469 -0.2395000     1.294000  
1 1 1 20 3  11  o 14.500  0.6696 -2.197000      1.339000  
1 1 1 20 3  12  o 7.6060  1.0070 -0.7071000     2.014000  
1 1 1 20 3  13  o 24.100  0.7435 3.729000       1.487000  
1 1 1 20 3  14  o 12.410  0.7700 -4.344000      1.540000  
1 1 1 20 3  15  o 11.340  0.7986 1.193000       1.597000  
1 1 1 20 3  16  o 17.060  0.9991 ?              ?         
1 1 1 20 3  17  o 8.6500  1.5600 ?              ?         
1 1 1 20 3  18  o 7.2960  1.8620 ?              ?         
1 1 1 20 3  19  o 7.7530  1.7980 ?              ?         
1 1 1 20 3  20  o 14.880  1.2040 ?              ?         
1 1 1 20 3  21  o 10.890  0.8669 0.1092000      1.734000  
1 1 1 20 3  22  f 9.4170  1.0970 1.302000       2.193000  
1 1 1 20 3  23  o 7.7790  1.1870 1.076000       2.373000  
1 1 1 20 3  24  o 5.6210  1.3710 -2.714000      2.741000  
1 1 1 20 3  25  o 6.9820  1.3310 -1.282000      2.663000  
1 1 1 20 3  26  o 5.3090  1.2680 0.9057000      2.536000  
1 1 1 20 3  27  o 9.4910  1.3130 3.101000       2.626000  
1 1 1 20 3  28  f 6.6720  1.4190 -4.476000      2.837000  
1 1 1 20 3  29  o 6.1280  1.2090 2.850000       2.418000  
1 1 1 20 3  30  o 17.040  0.9539 0.5710000      1.908000  
1 1 1 20 3  31  o 24.590  0.9399 2.239000       1.880000  
1 1 1 20 3  32  o 12.180  1.3520 2.610000       2.704000  
1 1 1 20 3  33  o 11.220  1.4830 5.521000       2.967000  
1 1 1 20 3  34  o 12.100  1.3710 0.9026000      2.741000  
1 1 1 20 3  35  o 6.3950  1.3190 3.035000       2.639000  
1 1 1 20 3  36  f 5.9040  1.5820 -2.710000      3.164000  
1 1 1 20 3  37  o 6.5160  1.5700 -0.1509000     3.140000  
1 1 1 20 3  38  o 5.1470  1.0790 2.810000       2.159000  
1 1 1 20 3  39  o 7.1170  1.0300 -0.4586000     2.061000  
1 1 1 20 3  40  o 8.6850  0.9450 3.709000       1.890000  
1 1 1 20 3  41  o 5.4580  1.2570 -0.3184000E-01 2.514000  
1 1 1 20 3  42  o 4.7000  1.2850 -0.1781000     2.569000  
1 1 1 20 3  43  o 10.660  0.9408 -0.8540000     1.882000  
1 1 1 20 3  44  o 7.4610  1.3080 0.8550000      2.615000  
1 1 1 20 3  45  o 8.3310  1.3010 -0.7592000     2.602000  
1 1 1 20 3  46  o 8.3630  1.3620 1.433000       2.723000  
1 1 1 20 3  47  o 10.040  1.2290 1.201000       2.458000  
1 1 1 20 3  48  o 4.5890  1.3980 -0.4310000E-01 2.797000  
1 1 1 20 3  49  o 4.6000  1.4140 -1.012000      2.828000  
1 1 1 20 3  50  o 4.7350  1.4310 -0.5429000     2.862000  
1 1 1 20 3  51  o 6.4550  1.5260 2.210000       3.052000  
1 1 1 20 3  52  o 5.8470  1.5920 0.9895000      3.184000  
1 1 1 20 3  53  o 8.8490  1.5530 4.284000       3.107000  
1 1 1 20 3  54  o 5.3460  1.5390 2.032000       3.078000  
1 1 1 20 3  55  o 4.5310  2.0160 ?              ?         
1 1 1 20 3  56  o 3.6570  1.2410 -1.034000      2.483000  
1 1 1 20 3  57  o 4.0770  1.3520 0.8374000      2.705000  
1 1 1 20 3  58  f 3.7390  1.2830 -0.7550000     2.566000  
1 1 1 20 3  59  o 5.3160  1.6020 -0.4697000     3.204000  
1 1 1 20 3  60  o 4.2920  1.4060 0.7708000E-01  2.813000  
1 1 1 20 3  61  o 4.6710  1.4390 2.346000       2.879000  
1 1 1 20 3  62  o 3.9320  1.3160 0.9226000      2.633000  
1 1 1 20 3  63  o 4.2360  1.9790 ?              ?         
1 1 1 20 4  0   o 16.090  0.7365 -0.000000      0.000000  
1 1 1 20 4  1   o 25.370  0.6942 -0.1687000     1.388000  
1 1 1 20 4  2   o 4.9060  0.9670 ?              ?         
1 1 1 20 4  3   o 6.1640  0.7999 0.4131000      1.600000  
1 1 1 20 4  4   o 8.9010  0.5493 -1.473000      1.099000  
1 1 1 20 4  5   o 7.9450  0.8317 1.293000       1.663000  
1 1 1 20 4  6   o 9.6280  0.7317 1.569000       1.463000  
1 1 1 20 4  7   o 10.770  0.6881 0.5314000E-01  1.376000  
1 1 1 20 4  8   o 14.740  0.6284 0.6853000      1.257000  
1 1 1 20 4  9   o 16.610  0.6360 1.829000       1.272000  
1 1 1 20 4  10  f 9.0770  0.9099 -4.519000      1.820000  
1 1 1 20 4  11  o 13.960  0.6853 5.119000       1.371000  
1 1 1 20 4  12  o 16.380  0.6565 1.211000       1.313000  
1 1 1 20 4  13  o 16.300  0.6692 -1.494000      1.338000  
1 1 1 20 4  14  o 12.300  0.7633 -1.316000      1.527000  
1 1 1 20 4  15  o 22.640  0.7288 3.138000       1.458000  
1 1 1 20 4  16  o 19.420  0.7154 -3.311000      1.431000  
1 1 1 20 4  17  o 14.300  0.7479 -1.273000      1.496000  
1 1 1 20 4  18  o 14.460  0.7691 2.791000       1.538000  
1 1 1 20 4  19  o 14.630  0.7314 -0.5152000     1.463000  
1 1 1 20 4  20  o 9.6690  0.9616 -2.284000      1.923000  
1 1 1 20 4  21  o 12.120  0.9079 3.331000       1.816000  
1 1 1 20 4  22  o 10.090  1.0030 0.9974000      2.007000  
1 1 1 20 4  23  o 8.0890  1.1170 -0.6491000     2.234000  
1 1 1 20 4  24  f 8.1190  1.1710 0.7614000      2.342000  
1 1 1 20 4  25  o 8.9600  1.8980 -0.2396000     3.796000  
1 1 1 20 4  26  o 22.390  0.7604 -0.8315000     1.521000  
1 1 1 20 4  27  o 9.7720  1.1540 0.9607000      2.308000  
1 1 1 20 4  28  o 14.930  0.8487 1.198000       1.697000  
1 1 1 20 4  29  o 6.1440  1.3840 -0.7161000     2.769000  
1 1 1 20 4  30  o 9.3090  1.1990 -1.040000      2.397000  
1 1 1 20 4  31  o 5.6330  1.4210 -0.9569000     2.841000  
1 1 1 20 4  32  o 14.800  1.0070 3.497000       2.015000  
1 1 1 20 4  33  o 23.350  0.8406 -1.475000      1.681000  
1 1 1 20 4  34  o 11.450  1.3610 9.213000       2.722000  
1 1 1 20 4  35  o 6.3260  1.4790 -0.6519000E-01 2.957000  
1 1 1 20 4  36  f 10.210  1.3630 -1.346000      2.726000  
1 1 1 20 4  37  o 4.5300  1.3590 0.3836000      2.717000  
1 1 1 20 4  38  o 7.2720  0.9324 -1.301000      1.865000  
1 1 1 20 4  39  o 4.7560  1.0580 1.362000       2.117000  
1 1 1 20 4  40  f 3.5790  1.0590 1.485000       2.118000  
1 1 1 20 4  41  o 5.0280  1.2500 -0.3470000     2.500000  
1 1 1 20 4  42  o 5.0170  1.2690 0.5362000E-01  2.539000  
1 1 1 20 4  43  o 5.1640  1.3060 0.8620000      2.612000  
1 1 1 20 4  44  o 8.7170  1.1340 2.486000       2.269000  
1 1 1 20 4  45  o 7.3360  1.2680 4.299000       2.536000  
1 1 1 20 4  46  o 7.4380  1.3460 2.512000       2.693000  
1 1 1 20 4  47  o 5.0880  1.4350 -0.9486000     2.870000  
1 1 1 20 4  48  o 5.9090  1.4780 1.448000       2.956000  
1 1 1 20 4  49  o 6.3190  1.5080 1.643000       3.017000  
1 1 1 20 4  50  o 6.7740  2.1330 ?              ?         
1 1 1 20 4  51  o 9.6310  1.3890 7.954000       2.778000  
1 1 1 20 4  52  o 4.1600  1.3660 -1.039000      2.732000  
1 1 1 20 4  53  o 6.4220  1.4410 4.309000       2.882000  
1 1 1 20 4  54  o 5.8650  1.6740 -0.8314000     3.349000  
1 1 1 20 4  55  o 4.8330  1.5440 -1.609000      3.088000  
1 1 1 20 4  56  o 5.1230  1.4930 2.373000       2.987000  
1 1 1 20 4  57  o 4.2590  1.4030 0.6989000      2.806000  
1 1 1 20 4  58  o 4.8020  1.5430 -1.655000      3.085000  
1 1 1 20 4  59  o 3.6640  1.2610 -0.2311000     2.522000  
1 1 1 20 4  60  o 4.5190  1.4400 0.6261000      2.879000  
1 1 1 20 4  61  o 4.3440  1.3990 1.576000       2.798000  
1 1 1 20 4  62  f 3.7500  1.2720 -0.3754000E-01 2.544000  
1 1 1 20 4  63  o 4.8400  2.1650 ?              ?         
1 1 1 20 5  0   o 13.260  0.8048 -0.000000      0.000000  
1 1 1 20 5  1   o 16.230  0.5129 0.3186000      1.026000  
1 1 1 20 5  2   o 11.220  0.5714 -1.850000      1.143000  
1 1 1 20 5  3   o 10.300  0.6499 -2.038000      1.300000  
1 1 1 20 5  4   o 6.4700  0.7238 -0.9278000     1.448000  
1 1 1 20 5  5   o 24.550  0.6925 -0.4703000E-01 1.385000  
1 1 1 20 5  6   o 13.920  0.9308 ?              ?         
1 1 1 20 5  7   o 16.330  0.6295 2.437000       1.259000  
1 1 1 20 5  8   o 15.110  0.6248 -2.032000      1.250000  
1 1 1 20 5  9   o 10.830  0.7564 -1.916000      1.513000  
1 1 1 20 5  10  o 18.230  0.6599 2.579000       1.320000  
1 1 1 20 5  11  o 16.630  0.6588 2.302000       1.318000  
1 1 1 20 5  12  o 31.210  0.8490 -0.8598000     1.698000  
1 1 1 20 5  13  o 17.280  0.6734 -2.009000      1.347000  
1 1 1 20 5  14  o 25.200  0.7558 -0.2463000     1.512000  
1 1 1 20 5  15  o 22.270  0.7262 -1.072000      1.452000  
1 1 1 20 5  16  o 13.660  0.6322 -2.067000      1.264000  
1 1 1 20 5  17  o 15.250  0.6336 -1.593000      1.267000  
1 1 1 20 5  18  o 34.090  1.0140 ?              ?         
1 1 1 20 5  20  o 10.160  0.8871 1.815000       1.774000  
1 1 1 20 5  21  o 10.140  0.9335 2.270000       1.867000  
1 1 1 20 5  22  o 16.160  0.7317 0.1238000      1.463000  
1 1 1 20 5  23  o 8.9720  1.0750 -0.4293000     2.150000  
1 1 1 20 5  24  o 10.040  1.0450 1.218000       2.090000  
1 1 1 20 5  25  o 13.690  0.7742 -1.062000      1.548000  
1 1 1 20 5  26  o 8.4170  1.1290 -1.128000      2.258000  
1 1 1 20 5  27  f 4.3060  1.2760 -1.893000      2.552000  
1 1 1 20 5  28  f 4.5250  1.2630 0.2136000E-01  2.527000  
1 1 1 20 5  29  o 5.6850  1.3680 -0.9458000     2.736000  
1 1 1 20 5  30  o 18.720  0.7995 0.5281000      1.599000  
1 1 1 20 5  31  o 9.7290  1.2730 3.466000       2.547000  
1 1 1 20 5  32  o 6.2110  1.1420 4.098000       2.284000  
1 1 1 20 5  33  o 5.3270  1.2630 1.783000       2.525000  
1 1 1 20 5  34  o 9.5320  1.3200 0.3353000      2.640000  
1 1 1 20 5  35  o 11.960  1.2580 3.228000       2.516000  
1 1 1 20 5  36  o 11.820  1.3410 4.806000       2.682000  
1 1 1 20 5  37  f 6.6930  1.6160 -3.412000      3.231000  
1 1 1 20 5  38  o 4.9590  1.5040 -1.390000      3.008000  
1 1 1 20 5  39  o 2.8280  0.9243 1.557000       1.849000  
1 1 1 20 5  40  o 5.4740  0.9908 -1.761000      1.982000  
1 1 1 20 5  41  o 10.560  0.7339 0.8930000      1.468000  
1 1 1 20 5  42  o 4.3990  1.1640 2.147000       2.327000  
1 1 1 20 5  43  o 12.210  0.7200 0.1319000E-01  1.440000  
1 1 1 20 5  44  o 7.6680  1.2540 3.593000       2.509000  
1 1 1 20 5  45  o 4.9040  1.3470 0.5712000      2.693000  
1 1 1 20 5  46  o 5.6200  1.4700 2.237000       2.939000  
1 1 1 20 5  47  f 5.9190  1.4610 -0.3242000     2.922000  
1 1 1 20 5  48  o 8.7120  1.3370 -1.547000      2.675000  
1 1 1 20 5  49  f 10.610  1.2560 5.399000       2.511000  
1 1 1 20 5  50  o 8.0130  1.3830 4.515000       2.767000  
1 1 1 20 5  51  o 10.890  1.2090 0.5312000      2.418000  
1 1 1 20 5  52  o 7.4200  1.3520 5.828000       2.703000  
1 1 1 20 5  53  o 5.6060  1.5690 0.3988000      3.138000  
1 1 1 20 5  54  o 5.9040  1.5690 1.214000       3.138000  
1 1 1 20 5  55  o 4.3050  1.3570 1.423000       2.714000  
1 1 1 20 5  56  o 4.9430  1.5010 1.047000       3.002000  
1 1 1 20 5  57  o 4.4680  1.4200 1.393000       2.840000  
1 1 1 20 5  58  o 4.6200  1.4490 -0.3597000     2.898000  
1 1 1 20 5  59  o 4.6080  1.4000 1.830000       2.799000  
1 1 1 20 5  60  o 5.1030  1.4560 -1.147000      2.912000  
1 1 1 20 5  61  o 4.5300  1.4360 0.8017000      2.872000  
1 1 1 20 5  62  o 4.9090  2.1680 ?              ?         
1 1 1 20 6  1   o 25.680  0.5835 0.2323000      1.167000  
1 1 1 20 6  2   o 18.660  0.6814 ?              ?         
1 1 1 20 6  3   o 27.880  0.6133 -0.2145000     1.227000  
1 1 1 20 6  5   o 9.6950  1.0530 ?              ?         
1 1 1 20 6  6   o 19.510  0.6889 1.455000       1.378000  
1 1 1 20 6  7   f 16.750  0.6325 -0.2781000     1.265000  
1 1 1 20 6  8   o 22.400  0.6935 2.060000       1.387000  
1 1 1 20 6  9   o 21.160  0.6804 1.150000       1.361000  
1 1 1 20 6  10  o 19.790  0.6714 -2.359000      1.343000  
1 1 1 20 6  11  o 17.060  0.6686 1.688000       1.337000  
1 1 1 20 6  12  o 22.970  0.7191 3.291000       1.438000  
1 1 1 20 6  13  o 27.540  0.7882 -3.021000      1.576000  
1 1 1 20 6  14  o 22.640  0.5985 2.813000       1.197000  
1 1 1 20 6  15  o 16.200  0.6924 ?              ?         
1 1 1 20 6  16  o 12.980  0.6724 1.458000       1.345000  
1 1 1 20 6  17  o 5.7860  1.1670 -1.386000      2.333000  
1 1 1 20 6  18  o 10.450  0.8031 0.3078000E-01  1.606000  
1 1 1 20 6  19  o 23.890  0.6476 1.116000       1.295000  
1 1 1 20 6  20  o 20.320  0.6486 0.6559000      1.297000  
1 1 1 20 6  21  o 14.460  0.6853 -1.591000      1.371000  
1 1 1 20 6  22  o 6.8080  1.0320 4.815000       2.063000  
1 1 1 20 6  23  o 28.340  0.7114 0.2175000      1.423000  
1 1 1 20 6  24  o 11.860  0.8728 0.6182000      1.746000  
1 1 1 20 6  25  o 18.230  0.7444 0.9831000      1.489000  
1 1 1 20 6  26  o 10.320  1.0200 0.6353000      2.039000  
1 1 1 20 6  27  o 6.3350  1.3190 -1.332000      2.638000  
1 1 1 20 6  28  o 9.6160  1.1490 1.951000       2.298000  
1 1 1 20 6  29  o 9.2340  1.1690 0.5358000      2.338000  
1 1 1 20 6  30  o 11.430  1.9780 1.593000       3.955000  
1 1 1 20 6  31  f 8.5180  1.2810 0.5590000E-01  2.561000  
1 1 1 20 6  32  o 8.1900  1.2980 -3.063000      2.595000  
1 1 1 20 6  33  o 7.9210  1.3520 0.6151000      2.705000  
1 1 1 20 6  34  o 10.020  1.2310 -0.3705000     2.462000  
1 1 1 20 6  35  o 5.9990  1.4490 -0.8418000E-01 2.899000  
1 1 1 20 6  36  o 5.5070  1.4420 0.1356000      2.885000  
1 1 1 20 6  37  o 5.2180  1.4080 0.8109000      2.816000  
1 1 1 20 6  38  o 5.8940  1.5550 -0.6533000     3.109000  
1 1 1 20 6  39  o 5.9980  0.8966 7.150000       1.793000  
1 1 1 20 6  40  o 6.9080  0.9693 1.281000       1.939000  
1 1 1 20 6  41  o 6.7350  1.0400 -2.514000      2.080000  
1 1 1 20 6  42  o 5.8750  1.1790 1.922000       2.359000  
1 1 1 20 6  43  o 6.4680  1.1380 2.227000       2.276000  
1 1 1 20 6  44  o 7.7760  1.0680 0.6624000      2.137000  
1 1 1 20 6  45  o 3.5450  1.1100 0.6013000      2.221000  
1 1 1 20 6  46  o 4.0440  1.1840 1.008000       2.369000  
1 1 1 20 6  47  o 6.2370  1.3750 2.965000       2.751000  
1 1 1 20 6  48  o 5.6900  1.4930 -1.292000      2.986000  
1 1 1 20 6  49  o 7.8460  1.4840 1.904000       2.969000  
1 1 1 20 6  50  o 9.7780  1.3270 1.458000       2.653000  
1 1 1 20 6  51  o 5.9300  1.5040 1.533000       3.008000  
1 1 1 20 6  52  o 4.7570  1.4340 -0.9792000     2.867000  
1 1 1 20 6  53  o 4.6940  1.3950 1.707000       2.789000  
1 1 1 20 6  54  o 4.0150  1.2960 0.4804000      2.593000  
1 1 1 20 6  55  o 6.3270  1.4930 1.499000       2.985000  
1 1 1 20 6  56  o 4.1140  1.2960 -1.372000      2.592000  
1 1 1 20 6  57  o 5.3830  1.4650 1.198000       2.930000  
1 1 1 20 6  58  o 4.0640  1.2860 1.141000       2.573000  
1 1 1 20 6  59  o 4.0370  1.2960 0.6208000      2.592000  
1 1 1 20 6  60  o 4.4770  1.4060 0.8441000      2.811000  
1 1 1 20 6  61  o 4.4040  1.9910 ?              ?         
1 1 1 20 7  0   o 8.3860  1.0890 0.000000       0.000000  
1 1 1 20 7  1   o 13.040  0.5500 2.265000       1.100000  
1 1 1 20 7  2   o 15.040  0.5216 1.637000       1.043000  
1 1 1 20 7  3   o 21.880  0.5352 0.3740000      1.070000  
1 1 1 20 7  4   o 22.070  0.5476 0.5327000      1.095000  
1 1 1 20 7  5   o 23.200  0.5568 0.1054000      1.114000  
1 1 1 20 7  7   f 17.560  0.6455 1.291000       1.291000  
1 1 1 20 7  8   o 17.880  0.6467 -2.728000      1.293000  
1 1 1 20 7  9   o 4.7610  1.7150 ?              ?         
1 1 1 20 7  10  o 6.4680  1.1940 -2.199000      2.388000  
1 1 1 20 7  11  f 6.8140  1.5660 -0.6708000     3.131000  
1 1 1 20 7  12  o 4.0550  1.1100 -0.9497000     2.219000  
1 1 1 20 7  13  o 4.8640  1.3830 -0.3882000     2.766000  
1 1 1 20 7  14  o 3.5290  1.0640 -0.7107000     2.129000  
1 1 1 20 7  15  o 11.930  0.7158 2.387000       1.432000  
1 1 1 20 7  16  o 8.3200  0.9466 -3.797000      1.893000  
1 1 1 20 7  17  f 18.950  0.5998 2.391000       1.200000  
1 1 1 20 7  18  o 18.160  0.6167 -2.600000      1.233000  
1 1 1 20 7  19  o 6.0370  1.2020 -0.5380000     2.404000  
1 1 1 20 7  20  o 9.3400  0.9329 0.1071000      1.866000  
1 1 1 20 7  21  o 22.410  0.6374 1.083000       1.275000  
1 1 1 20 7  22  o 9.2190  0.9638 -2.587000      1.928000  
1 1 1 20 7  23  o 14.480  0.7423 2.697000       1.485000  
1 1 1 20 7  24  o 7.9770  1.1430 0.6878000      2.287000  
1 1 1 20 7  25  o 6.0760  1.2650 -0.1495000     2.530000  
1 1 1 20 7  26  o 17.690  0.7087 2.412000       1.417000  
1 1 1 20 7  27  o 11.550  1.6360 ?              ?         
1 1 1 20 7  28  o 6.5090  1.3610 -1.430000      2.723000  
1 1 1 20 7  29  o 11.560  0.9814 0.9295000      1.963000  
1 1 1 20 7  30  f 7.4720  1.2910 2.209000       2.583000  
1 1 1 20 7  31  o 11.700  1.0810 1.845000       2.162000  
1 1 1 20 7  32  o 11.490  1.1150 1.326000       2.231000  
1 1 1 20 7  33  o 15.170  0.8660 -3.424000      1.732000  
1 1 1 20 7  34  o 13.130  1.0600 1.084000       2.120000  
1 1 1 20 7  35  o 9.2120  1.3790 2.775000       2.758000  
1 1 1 20 7  36  o 4.2900  1.3170 0.5866000      2.634000  
1 1 1 20 7  37  o 11.970  1.1840 -1.208000      2.368000  
1 1 1 20 7  38  o 5.4740  1.1420 2.572000       2.284000  
1 1 1 20 7  39  o 4.8680  1.1010 0.1317000      2.202000  
1 1 1 20 7  40  o 4.8770  1.1170 -0.3296000     2.233000  
1 1 1 20 7  41  o 7.1080  1.0420 -0.2359000     2.085000  
1 1 1 20 7  42  f 5.9210  1.1890 1.865000       2.377000  
1 1 1 20 7  43  o 9.9540  0.8550 0.9380000      1.710000  
1 1 1 20 7  44  o 5.1810  1.2190 2.366000       2.438000  
1 1 1 20 7  45  o 8.1270  1.0680 -0.2672000     2.136000  
1 1 1 20 7  46  o 11.810  0.7879 3.162000       1.576000  
1 1 1 20 7  47  o 6.4420  1.2300 -1.242000      2.461000  
1 1 1 20 7  48  o 7.0850  1.2130 0.1952000E-02  2.425000  
1 1 1 20 7  49  o 5.0660  1.3130 1.577000       2.627000  
1 1 1 20 7  50  o 6.3970  1.3210 2.494000       2.642000  
1 1 1 20 7  51  o 7.4310  1.5630 -2.135000      3.126000  
1 1 1 20 7  52  o 5.7160  1.4400 2.582000       2.879000  
1 1 1 20 7  53  o 3.8670  1.2660 0.2214000      2.532000  
1 1 1 20 7  54  o 3.9380  1.2850 0.3008000      2.569000  
1 1 1 20 7  55  f 3.9470  1.2920 -0.4850000     2.585000  
1 1 1 20 7  56  o 4.6960  1.3990 1.047000       2.799000  
1 1 1 20 7  57  o 4.2300  1.2980 1.614000       2.596000  
1 1 1 20 7  58  o 4.3760  1.3120 1.711000       2.624000  
1 1 1 20 7  59  o 3.9990  1.2370 -0.7213000     2.474000  
1 1 1 20 8  0   o 6.7810  1.3580 -0.000000      0.000000  
1 1 1 20 8  1   o 6.6430  0.9093 0.4508000      1.819000  
1 1 1 20 8  2   o 13.640  0.5339 1.808000       1.068000  
1 1 1 20 8  3   o 17.380  0.5042 -0.2156000     1.008000  
1 1 1 20 8  4   f 10.430  0.7155 ?              ?         
1 1 1 20 8  5   o 16.120  0.8110 ?              ?         
1 1 1 20 8  6   f 25.960  0.6064 3.544000       1.213000  
1 1 1 20 8  7   o 24.180  0.7479 ?              ?         
1 1 1 20 8  8   o 31.160  0.6793 -2.216000      1.359000  
1 1 1 20 8  9   o 18.120  1.0120 ?              ?         
1 1 1 20 8  10  o 24.300  0.6111 0.6763000E-01  1.222000  
1 1 1 20 8  11  f 12.450  0.7542 ?              ?         
1 1 1 20 8  12  o 11.750  0.6429 -2.885000      1.286000  
1 1 1 20 8  13  o 7.9890  0.8883 -2.725000      1.777000  
1 1 1 20 8  14  o 10.870  0.7931 0.4820000E-01  1.586000  
1 1 1 20 8  15  o 14.120  0.6104 0.2062000E-01  1.221000  
1 1 1 20 8  16  o 9.3260  0.8327 -1.464000      1.665000  
1 1 1 20 8  17  o 6.2480  1.1140 1.694000       2.228000  
1 1 1 20 8  18  o 15.820  0.6323 0.3864000      1.265000  
1 1 1 20 8  19  o 8.3390  0.9849 -2.977000      1.970000  
1 1 1 20 8  20  f 6.0530  1.0330 3.975000       2.065000  
1 1 1 20 8  21  o 16.120  0.6594 0.3923000      1.319000  
1 1 1 20 8  22  o 6.8500  1.1840 -2.523000      2.369000  
1 1 1 20 8  23  o 4.3880  1.2120 -0.1266000     2.423000  
1 1 1 20 8  24  o 6.2270  1.2060 1.402000       2.412000  
1 1 1 20 8  25  o 19.150  0.6679 0.5068000      1.336000  
1 1 1 20 8  26  o 7.8060  1.1810 -2.538000      2.363000  
1 1 1 20 8  27  o 6.9840  1.1990 2.394000       2.398000  
1 1 1 20 8  28  o 10.100  1.0470 1.912000       2.093000  
1 1 1 20 8  29  o 6.7670  1.2590 1.446000       2.518000  
1 1 1 20 8  30  o 21.200  0.7217 1.410000       1.443000  
1 1 1 20 8  31  o 13.290  1.0240 3.378000       2.048000  
1 1 1 20 8  32  o 18.910  0.8324 0.3667000      1.665000  
1 1 1 20 8  33  o 18.550  0.8582 0.1347000      1.716000  
1 1 1 20 8  34  o 12.410  1.1670 4.241000       2.335000  
1 1 1 20 8  35  o 6.5640  0.9331 7.139000       1.866000  
1 1 1 20 8  36  o 6.3470  1.0920 4.590000       2.183000  
1 1 1 20 8  37  o 6.7750  1.2530 1.124000       2.507000  
1 1 1 20 8  38  o 5.5070  1.1240 -0.5160000     2.247000  
1 1 1 20 8  39  o 9.6520  0.8633 -0.8554000     1.727000  
1 1 1 20 8  40  o 3.5680  1.0950 1.511000       2.190000  
1 1 1 20 8  41  o 4.9180  1.1500 -0.6844000     2.300000  
1 1 1 20 8  42  o 5.1830  1.1950 -0.2869000     2.390000  
1 1 1 20 8  43  o 10.980  0.7890 1.171000       1.578000  
1 1 1 20 8  44  o 8.3320  0.9919 1.928000       1.984000  
1 1 1 20 8  45  f 12.060  0.7783 0.4297000      1.557000  
1 1 1 20 8  46  o 7.5130  1.1120 3.468000       2.223000  
1 1 1 20 8  47  o 8.3250  1.1040 -1.603000      2.207000  
1 1 1 20 8  48  o 4.4230  1.2300 0.1677000      2.460000  
1 1 1 20 8  49  o 3.8760  1.1730 0.2042000      2.345000  
1 1 1 20 8  50  o 3.4960  1.1310 0.4503000      2.262000  
1 1 1 20 8  51  o 6.3170  1.3110 -1.014000      2.622000  
1 1 1 20 8  52  o 7.3810  1.3040 -0.5254000     2.608000  
1 1 1 20 8  53  o 5.0950  1.3660 1.910000       2.732000  
1 1 1 20 8  54  o 3.6020  1.1570 -0.4749000E-01 2.314000  
1 1 1 20 8  55  o 3.5270  1.1790 0.7968000      2.358000  
1 1 1 20 8  56  o 3.9350  1.2030 -0.5231000     2.406000  
1 1 1 20 8  57  o 3.7490  1.1770 -0.3455000     2.353000  
1 1 1 20 8  58  o 4.5500  2.0290 ?              ?         
1 1 1 20 9  0   o 28.620  0.8794 0.000000       0.000000  
1 1 1 20 9  2   o 25.700  0.5842 -0.5219000     1.168000  
1 1 1 20 9  3   o 14.860  0.6897 ?              ?         
1 1 1 20 9  4   o 16.500  0.5209 1.166000       1.042000  
1 1 1 20 9  5   o 15.690  0.5357 -0.7111000     1.071000  
1 1 1 20 9  6   o 15.750  0.5317 -0.8657000     1.063000  
1 1 1 20 9  7   o 14.950  0.8476 ?              ?         
1 1 1 20 9  8   o 19.600  0.5040 1.104000       1.008000  
1 1 1 20 9  9   o 8.7560  0.6021 ?              ?         
1 1 1 20 9  10  o 14.930  0.5382 -1.832000      1.076000  
1 1 1 20 9  11  o 24.830  0.6125 1.495000       1.225000  
1 1 1 20 9  12  o 9.1120  0.9097 ?              ?         
1 1 1 20 9  13  o 8.2240  0.8961 -3.043000      1.792000  
1 1 1 20 9  14  o 7.3980  1.0130 0.2883000      2.027000  
1 1 1 20 9  15  o 5.9330  1.1310 -2.006000      2.261000  
1 1 1 20 9  16  o 5.6560  1.1510 -0.4767000E-01 2.302000  
1 1 1 20 9  17  o 8.2690  0.9598 -1.418000      1.920000  
1 1 1 20 9  18  o 14.930  0.7402 1.619000       1.480000  
1 1 1 20 9  19  o 17.060  0.6323 0.9472000      1.265000  
1 1 1 20 9  20  o 24.250  0.6436 -1.557000      1.287000  
1 1 1 20 9  21  o 19.640  0.6643 1.671000       1.329000  
1 1 1 20 9  22  f 14.000  0.7104 -2.218000      1.421000  
1 1 1 20 9  23  o 12.290  0.7844 -1.024000      1.569000  
1 1 1 20 9  24  o 5.7070  1.2920 -0.4755000     2.585000  
1 1 1 20 9  25  o 4.6090  1.2810 -3.121000      2.562000  
1 1 1 20 9  26  o 6.1660  1.2030 2.259000       2.405000  
1 1 1 20 9  27  o 4.6710  1.1860 1.420000       2.372000  
1 1 1 20 9  28  f 16.390  0.7360 -0.8116000E-01 1.472000  
1 1 1 20 9  29  o 14.990  0.7748 -0.1974000     1.550000  
1 1 1 20 9  30  o 11.250  1.0290 2.645000       2.058000  
1 1 1 20 9  31  o 8.5780  1.2090 -2.054000      2.418000  
1 1 1 20 9  32  o 13.930  0.8822 -1.279000      1.764000  
1 1 1 20 9  33  o 13.770  0.5555 2.664000       1.111000  
1 1 1 20 9  34  o 5.7170  0.9970 1.913000       1.994000  
1 1 1 20 9  35  o 8.9730  0.8356 1.624000       1.671000  
1 1 1 20 9  36  o 4.2360  1.2580 -0.4484000     2.516000  
1 1 1 20 9  37  o 6.9250  1.3860 1.966000       2.772000  
1 1 1 20 9  38  o 3.7870  1.1170 0.2708000      2.233000  
1 1 1 20 9  39  o 5.4330  1.1710 -0.9926000     2.342000  
1 1 1 20 9  40  o 7.0670  1.1240 -0.5796000     2.248000  
1 1 1 20 9  41  o 14.620  0.6975 0.6914000      1.395000  
1 1 1 20 9  42  o 8.2600  1.0320 -0.8152000     2.064000  
1 1 1 20 9  43  o 14.510  0.7142 -1.270000      1.428000  
1 1 1 20 9  44  o 5.0000  1.2650 1.925000       2.531000  
1 1 1 20 9  45  o 6.9050  1.1220 -3.557000      2.245000  
1 1 1 20 9  46  o 4.2780  1.2120 -0.4842000     2.424000  
1 1 1 20 9  47  o 3.1220  1.0470 0.9618000      2.094000  
1 1 1 20 9  48  o 4.0650  1.2300 0.6188000      2.459000  
1 1 1 20 9  49  o 3.5010  1.1390 0.6411000      2.279000  
1 1 1 20 9  50  o 4.9620  1.3380 0.6983000      2.675000  
1 1 1 20 9  51  o 3.7120  1.1860 1.243000       2.372000  
1 1 1 20 9  52  o 4.0800  1.2370 -0.3923000     2.474000  
1 1 1 20 9  53  o 4.7240  1.3700 1.819000       2.740000  
1 1 1 20 9  54  o 3.8580  1.2290 0.4275000      2.458000  
1 1 1 20 9  55  o 4.5220  1.3450 1.410000       2.691000  
1 1 1 20 9  56  o 3.6820  1.1540 -0.4357000     2.308000  
1 1 1 20 10 0   o 16.320  0.7528 0.000000       0.000000  
1 1 1 20 10 1   o 18.290  0.7624 ?              ?         
1 1 1 20 10 2   o 13.830  0.5477 -0.7880000     1.095000  
1 1 1 20 10 4   f 24.270  0.5760 0.4857000      1.152000  
1 1 1 20 10 5   o 16.960  0.6735 ?              ?         
1 1 1 20 10 6   o 17.950  0.5509 0.9256000      1.102000  
1 1 1 20 10 7   o 17.580  0.5171 0.8878000      1.034000  
1 1 1 20 10 8   o 17.280  0.5640 -1.041000      1.128000  
1 1 1 20 10 9   f 33.730  0.6764 0.3576000      1.353000  
1 1 1 20 10 10  o 25.480  0.8737 3.031000       1.747000  
1 1 1 20 10 11  o 12.060  0.5499 ?              ?         
1 1 1 20 10 12  o 11.280  0.6071 -1.975000      1.214000  
1 1 1 20 10 13  o 6.2940  1.0810 -3.192000      2.162000  
1 1 1 20 10 14  o 6.1400  1.1410 -0.1085000     2.283000  
1 1 1 20 10 15  o 4.5840  1.1780 -0.8324000     2.357000  
1 1 1 20 10 16  o 12.110  0.7132 2.346000       1.426000  
1 1 1 20 10 17  o 11.000  0.7927 -0.5544000     1.585000  
1 1 1 20 10 18  o 12.270  0.7805 0.4877000      1.561000  
1 1 1 20 10 19  o 16.230  0.6510 -0.2082000     1.302000  
1 1 1 20 10 20  o 14.750  0.6922 -0.8432000     1.384000  
1 1 1 20 10 21  o 12.920  0.7766 0.8032000      1.553000  
1 1 1 20 10 22  o 8.8910  1.1240 1.703000       2.248000  
1 1 1 20 10 23  o 8.9450  1.1450 1.433000       2.291000  
1 1 1 20 10 24  o 8.8860  1.0480 0.1601000      2.097000  
1 1 1 20 10 25  o 6.8570  1.2720 0.1490000      2.544000  
1 1 1 20 10 26  o 14.040  0.8081 1.804000       1.616000  
1 1 1 20 10 27  o 17.400  0.7270 0.8075000      1.454000  
1 1 1 20 10 28  o 9.1770  1.1350 1.743000       2.271000  
1 1 1 20 10 29  o 9.2530  0.7605 -0.9623000     1.521000  
1 1 1 20 10 30  o 5.4860  1.1260 0.4275000      2.251000  
1 1 1 20 10 31  o 7.8550  0.9257 -0.2468000     1.851000  
1 1 1 20 10 32  o 5.1530  1.1610 0.4991000      2.322000  
1 1 1 20 10 33  o 11.360  0.6617 1.483000       1.323000  
1 1 1 20 10 34  o 15.380  0.5742 -0.7410000     1.148000  
1 1 1 20 10 35  o 6.4690  2.3760 ?              ?         
1 1 1 20 10 36  o 8.2550  0.8845 0.4199000      1.769000  
1 1 1 20 10 37  o 4.3640  1.2850 0.3353000      2.570000  
1 1 1 20 10 38  f 9.1700  0.9868 -1.338000      1.974000  
1 1 1 20 10 39  o 9.6850  0.9903 -0.7053000     1.981000  
1 1 1 20 10 40  o 16.310  0.7161 2.646000       1.432000  
1 1 1 20 10 41  o 16.670  0.7250 1.313000       1.450000  
1 1 1 20 10 42  o 10.410  0.9182 0.3901000      1.836000  
1 1 1 20 10 43  o 3.5260  1.1150 0.2392000      2.229000  
1 1 1 20 10 44  o 5.1230  1.3020 0.4240000      2.605000  
1 1 1 20 10 45  o 10.820  0.9152 0.3382000      1.830000  
1 1 1 20 10 46  o 3.4330  1.0940 -0.1763000     2.189000  
1 1 1 20 10 47  o 5.6430  1.1820 -3.037000      2.364000  
1 1 1 20 10 48  o 4.1820  1.2490 0.2324000      2.499000  
1 1 1 20 10 49  o 3.8900  1.2080 0.1835000      2.417000  
1 1 1 20 10 50  o 3.7920  1.1990 0.7289000E-01  2.397000  
1 1 1 20 10 51  o 4.5810  1.3360 0.2559000      2.671000  
1 1 1 20 10 52  o 5.3610  1.3820 -0.7076000     2.763000  
1 1 1 20 10 53  o 5.1480  1.3290 -0.9679000     2.658000  
1 1 1 20 10 54  o 3.4310  1.1270 0.2895000      2.255000  
1 1 1 20 10 55  o 4.2070  1.2970 1.597000       2.595000  
1 1 1 20 11 0   f 19.140  0.7402 -0.000000      0.000000  
1 1 1 20 11 1   o 18.370  0.5283 0.1590000E-01  1.057000  
1 1 1 20 11 2   o 20.600  0.7720 ?              ?         
1 1 1 20 11 3   o 12.210  0.5887 -0.4576000     1.177000  
1 1 1 20 11 4   o 15.750  0.5080 0.2195000      1.016000  
1 1 1 20 11 5   o 19.350  0.5540 -1.714000      1.108000  
1 1 1 20 11 6   o 25.880  0.5654 3.057000       1.131000  
1 1 1 20 11 7   o 23.100  0.5538 -3.218000      1.108000  
1 1 1 20 11 8   f 18.960  0.5351 0.1372000      1.070000  
1 1 1 20 11 9   o 10.050  1.1070 4.475000       2.213000  
1 1 1 20 11 10  o 6.8740  1.2130 -0.2785000E-01 2.425000  
1 1 1 20 11 11  o 9.5660  0.6848 -0.5762000     1.370000  
1 1 1 20 11 12  o 5.0290  1.0850 1.521000       2.170000  
1 1 1 20 11 13  f 10.620  0.6317 0.6034000      1.263000  
1 1 1 20 11 14  o 7.9270  1.1250 -1.524000      2.250000  
1 1 1 20 11 15  o 11.410  0.6885 0.9880000      1.377000  
1 1 1 20 11 16  o 7.0970  1.0810 5.592000       2.161000  
1 1 1 20 11 17  o 16.830  0.5632 0.3708000      1.126000  
1 1 1 20 11 18  o 12.520  0.8725 0.2583000      1.745000  
1 1 1 20 11 19  o 11.050  0.7788 1.582000       1.558000  
1 1 1 20 11 20  o 10.100  0.7919 -1.084000      1.584000  
1 1 1 20 11 21  o 4.5100  1.1960 -1.223000      2.392000  
1 1 1 20 11 22  o 6.0780  1.1710 0.4845000      2.341000  
1 1 1 20 11 23  o 4.7580  1.2110 -1.529000      2.422000  
1 1 1 20 11 24  o 8.9450  0.8429 -0.3253000     1.686000  
1 1 1 20 11 25  o 9.6390  1.1630 3.658000       2.327000  
1 1 1 20 11 26  o 3.5370  1.0540 0.9734000      2.108000  
1 1 1 20 11 27  o 4.5800  1.1810 -0.5328000     2.361000  
1 1 1 20 11 28  o 8.3300  0.8774 -0.9375000     1.755000  
1 1 1 20 11 29  o 4.2000  1.1540 -0.5256000     2.309000  
1 1 1 20 11 30  o 12.080  0.6764 -2.949000      1.353000  
1 1 1 20 11 31  o 5.4760  1.1360 2.424000       2.271000  
1 1 1 20 11 32  f 9.1590  0.8213 -0.1097000     1.643000  
1 1 1 20 11 33  o 12.280  0.6577 0.5734000      1.315000  
1 1 1 20 11 34  o 6.9120  1.0690 -0.6805000     2.139000  
1 1 1 20 11 35  o 7.2530  1.0520 1.362000       2.105000  
1 1 1 20 11 36  o 8.9590  0.8618 1.403000       1.724000  
1 1 1 20 11 37  f 7.4080  1.3820 1.905000       2.764000  
1 1 1 20 11 38  o 10.570  0.7416 -0.3958000     1.483000  
1 1 1 20 11 39  o 12.840  0.6846 -0.2299000E-01 1.369000  
1 1 1 20 11 40  o 7.4890  1.0480 0.1645000      2.097000  
1 1 1 20 11 41  o 4.9410  1.2010 -0.6924000     2.401000  
1 1 1 20 11 42  o 6.6030  1.2670 2.626000       2.533000  
1 1 1 20 11 43  o 8.5870  1.1140 1.690000       2.227000  
1 1 1 20 11 44  o 7.8290  1.2380 -1.617000      2.476000  
1 1 1 20 11 45  o 4.2000  1.2240 -0.7480000     2.449000  
1 1 1 20 11 46  o 5.2590  1.3710 2.084000       2.741000  
1 1 1 20 11 47  o 4.4910  1.2820 -0.4927000     2.565000  
1 1 1 20 11 48  f 3.9610  1.2360 0.5049000      2.473000  
1 1 1 20 11 49  o 5.8340  1.2860 -2.600000      2.572000  
1 1 1 20 11 50  o 4.2310  1.2490 -0.9705000     2.499000  
1 1 1 20 11 51  o 4.0280  1.2360 -0.3832000     2.472000  
1 1 1 20 11 52  o 3.3120  1.1050 0.3943000      2.211000  
1 1 1 20 11 53  o 3.2590  1.0960 0.3425000      2.192000  
1 1 1 20 12 0   o 12.350  0.8031 0.000000       0.000000  
1 1 1 20 12 1   o 8.5390  0.7724 -0.4383000     1.545000  
1 1 1 20 12 2   o 4.1060  1.0570 -1.682000      2.114000  
1 1 1 20 12 3   o 13.610  0.6863 4.658000       1.373000  
1 1 1 20 12 4   o 17.990  0.4849 0.9051000      0.9697000 
1 1 1 20 12 5   o 9.7520  0.9943 0.4970000      1.989000  
1 1 1 20 12 6   o 7.4850  0.8708 0.1607000      1.742000  
1 1 1 20 12 7   o 7.3080  0.8523 -0.7744000     1.705000  
1 1 1 20 12 8   o 13.590  0.5677 -3.325000      1.135000  
1 1 1 20 12 9   o 19.760  0.5027 1.893000       1.005000  
1 1 1 20 12 10  o 15.760  0.5420 0.7945000      1.084000  
1 1 1 20 12 11  o 7.9200  1.1880 -0.7168000E-02 2.377000  
1 1 1 20 12 12  f 10.040  0.6636 -1.274000      1.327000  
1 1 1 20 12 13  o 10.330  1.1780 4.318000       2.355000  
1 1 1 20 12 14  o 13.650  0.5469 -1.093000      1.094000  
1 1 1 20 12 15  o 11.280  1.0150 2.981000       2.029000  
1 1 1 20 12 16  o 11.310  0.7154 -1.194000      1.431000  
1 1 1 20 12 17  o 9.1020  0.8432 -1.344000      1.686000  
1 1 1 20 12 18  o 15.850  0.5892 -0.7105000     1.178000  
1 1 1 20 12 19  f 6.7960  1.2270 3.055000       2.454000  
1 1 1 20 12 20  o 4.5420  1.0990 2.233000       2.198000  
1 1 1 20 12 21  o 6.8400  1.0850 2.400000       2.170000  
1 1 1 20 12 22  o 6.5060  1.1650 3.357000       2.329000  
1 1 1 20 12 23  f 6.1090  1.1660 1.060000       2.331000  
1 1 1 20 12 24  o 14.460  0.6501 0.7033000      1.300000  
1 1 1 20 12 25  o 8.1310  0.9848 0.3783000      1.970000  
1 1 1 20 12 26  o 10.050  0.8162 0.4412000      1.632000  
1 1 1 20 12 27  o 4.5760  1.1790 -2.105000      2.357000  
1 1 1 20 12 28  o 6.3680  1.1650 -3.101000      2.330000  
1 1 1 20 12 29  o 8.1610  1.0230 3.890000       2.045000  
1 1 1 20 12 30  o 12.020  0.7214 0.5277000      1.443000  
1 1 1 20 12 31  f 3.6720  1.0910 1.125000       2.183000  
1 1 1 20 12 32  o 11.060  0.7729 -0.7798000     1.546000  
1 1 1 20 12 33  o 5.6940  1.1900 -1.235000      2.379000  
1 1 1 20 12 34  o 7.0890  1.1070 -0.3229000     2.214000  
1 1 1 20 12 35  o 8.7930  0.9276 -1.023000      1.855000  
1 1 1 20 12 36  o 5.7270  1.2150 -0.2716000E-01 2.431000  
1 1 1 20 12 37  o 4.6200  1.3490 0.2098000      2.698000  
1 1 1 20 12 38  o 2.9900  0.9869 0.6026000E-01  1.974000  
1 1 1 20 12 39  o 5.0080  1.2310 0.3258000      2.463000  
1 1 1 20 12 40  o 4.4710  1.2150 -0.4944000     2.429000  
1 1 1 20 12 41  o 4.9910  1.2330 -0.9618000     2.467000  
1 1 1 20 12 42  f 11.580  0.7748 -1.409000      1.550000  
1 1 1 20 12 43  o 3.6520  1.1250 0.3361000      2.250000  
1 1 1 20 12 44  o 7.9310  1.0760 1.340000       2.151000  
1 1 1 20 12 45  o 2.9370  0.9899 0.2573000      1.980000  
1 1 1 20 12 46  o 4.8650  1.3740 1.273000       2.747000  
1 1 1 20 12 47  o 3.6060  1.1770 0.2541000      2.353000  
1 1 1 20 12 48  o 4.0530  1.2430 -0.7053000     2.486000  
1 1 1 20 12 49  o 3.8980  1.2420 0.5658000      2.484000  
1 1 1 20 12 50  o 3.2270  1.0970 0.7024000      2.193000  
1 1 1 20 12 51  o 2.8260  1.3400 ?              ?         
1 1 1 20 13 0   o 16.590  0.6185 0.000000       0.000000  
1 1 1 20 13 1   o 7.1760  1.1060 0.9834000      2.212000  
1 1 1 20 13 2   o 10.170  0.6527 0.1400000      1.305000  
1 1 1 20 13 3   o 11.740  0.5816 -0.5451000     1.163000  
1 1 1 20 13 4   o 7.1750  0.9104 -1.383000      1.821000  
1 1 1 20 13 5   o 6.8750  0.9816 0.8875000      1.963000  
1 1 1 20 13 6   o 11.490  0.6524 -3.290000      1.305000  
1 1 1 20 13 7   o 21.750  0.5091 -0.4400000     1.018000  
1 1 1 20 13 8   o 17.050  0.5354 0.8283000      1.071000  
1 1 1 20 13 9   o 8.8390  1.1390 6.135000       2.278000  
1 1 1 20 13 10  o 6.5710  1.0850 4.054000       2.170000  
1 1 1 20 13 11  o 11.540  0.6332 0.9767000      1.266000  
1 1 1 20 13 12  o 8.3850  0.8247 -1.743000      1.649000  
1 1 1 20 13 13  o 7.5830  0.9352 0.1842000      1.870000  
1 1 1 20 13 14  o 17.550  0.5320 1.152000       1.064000  
1 1 1 20 13 15  o 10.920  0.6860 -2.326000      1.372000  
1 1 1 20 13 16  o 7.1070  1.0260 1.917000       2.051000  
1 1 1 20 13 17  o 13.590  0.5779 -0.9485000     1.156000  
1 1 1 20 13 18  o 9.3100  0.8813 -1.560000      1.763000  
1 1 1 20 13 19  o 8.1240  1.1810 1.793000       2.362000  
1 1 1 20 13 20  o 7.1420  1.1190 -2.020000      2.238000  
1 1 1 20 13 21  o 6.4780  1.1750 -0.7136000     2.351000  
1 1 1 20 13 22  o 6.6820  1.1540 0.5026000      2.308000  
1 1 1 20 13 23  o 5.1640  1.1930 -2.615000      2.386000  
1 1 1 20 13 24  o 5.9050  1.2130 1.336000       2.426000  
1 1 1 20 13 25  o 4.1490  1.1940 -0.4312000     2.388000  
1 1 1 20 13 26  o 3.9050  1.1640 -0.2833000     2.328000  
1 1 1 20 13 27  o 6.0340  1.2270 -1.516000      2.454000  
1 1 1 20 13 28  o 7.4460  1.0980 0.3118000      2.196000  
1 1 1 20 13 29  o 4.2890  1.1820 1.079000       2.364000  
1 1 1 20 13 30  o 4.7900  1.2090 -2.059000      2.418000  
1 1 1 20 13 31  o 8.5760  0.9779 -0.8078000     1.956000  
1 1 1 20 13 32  o 4.3750  1.2040 -0.6852000     2.408000  
1 1 1 20 13 33  o 5.3100  1.1740 2.410000       2.349000  
1 1 1 20 13 34  o 9.0010  0.9550 -1.869000      1.910000  
1 1 1 20 13 35  o 5.0790  1.2520 0.5013000E-01  2.505000  
1 1 1 20 13 36  o 6.2010  1.1960 2.050000       2.391000  
1 1 1 20 13 37  o 10.910  0.8365 1.077000       1.673000  
1 1 1 20 13 38  o 4.1300  1.1640 -1.966000      2.328000  
1 1 1 20 13 39  o 8.5590  1.0280 1.152000       2.057000  
1 1 1 20 13 40  o 9.4210  0.9667 -2.046000      1.933000  
1 1 1 20 13 41  o 8.2570  1.1080 1.496000       2.216000  
1 1 1 20 13 42  o 4.2820  1.2210 -1.088000      2.443000  
1 1 1 20 13 43  f 6.2890  1.2990 -0.8954000     2.597000  
1 1 1 20 13 44  o 5.1940  1.2710 2.495000       2.543000  
1 1 1 20 13 45  o 4.0660  1.1920 -1.263000      2.384000  
1 1 1 20 13 46  o 4.7040  1.2800 -0.7268000     2.560000  
1 1 1 20 13 47  o 3.6190  1.1520 0.6106000      2.303000  
1 1 1 20 13 48  o 5.0420  1.3020 0.7452000      2.603000  
1 1 1 20 13 49  o 3.8060  1.6900 ?              ?         
1 1 1 20 14 0   o 13.040  0.7354 -0.000000      0.000000  
1 1 1 20 14 1   o 12.200  0.5569 2.070000       1.114000  
1 1 1 20 14 2   o 20.630  0.5084 -1.562000      1.017000  
1 1 1 20 14 3   o 12.010  0.8333 2.411000       1.667000  
1 1 1 20 14 4   o 9.9360  0.7121 -1.876000      1.424000  
1 1 1 20 14 5   f 9.2100  0.7551 0.4108000      1.510000  
1 1 1 20 14 6   o 8.1130  0.8405 -0.5627000     1.681000  
1 1 1 20 14 7   o 6.1640  1.0350 1.857000       2.071000  
1 1 1 20 14 8   o 4.9520  1.0850 1.247000       2.169000  
1 1 1 20 14 9   o 6.6770  1.0680 2.259000       2.135000  
1 1 1 20 14 10  o 19.840  0.5080 1.870000       1.016000  
1 1 1 20 14 11  o 16.630  0.5596 -3.546000      1.119000  
1 1 1 20 14 12  o 14.800  0.5581 0.7359000      1.116000  
1 1 1 20 14 13  o 10.850  0.6762 -1.713000      1.352000  
1 1 1 20 14 14  o 5.9890  1.1080 0.1898000      2.216000  
1 1 1 20 14 15  o 9.7680  0.7487 -0.9759000     1.497000  
1 1 1 20 14 16  o 9.4980  0.8786 0.6111000E-01  1.757000  
1 1 1 20 14 17  o 9.8860  0.7678 0.4110000      1.536000  
1 1 1 20 14 18  o 6.6940  1.0580 -0.4503000     2.117000  
1 1 1 20 14 19  o 6.1270  1.1130 -3.849000      2.225000  
1 1 1 20 14 20  o 7.9400  1.0860 -1.559000      2.172000  
1 1 1 20 14 21  o 5.6640  1.2130 1.513000       2.426000  
1 1 1 20 14 22  o 9.3870  0.9353 0.7960000      1.871000  
1 1 1 20 14 23  o 6.7760  1.2050 1.101000       2.410000  
1 1 1 20 14 24  o 7.2430  1.1770 1.136000       2.355000  
1 1 1 20 14 25  o 7.9720  1.1310 -1.274000      2.262000  
1 1 1 20 14 26  o 7.0320  1.2060 0.6858000      2.412000  
1 1 1 20 14 27  o 4.7360  1.2650 -0.9841000     2.531000  
1 1 1 20 14 28  o 4.7070  1.2090 1.561000       2.419000  
1 1 1 20 14 29  o 4.9110  1.2730 -1.675000      2.546000  
1 1 1 20 14 30  o 4.7330  1.2700 -1.606000      2.541000  
1 1 1 20 14 31  o 8.9250  1.0580 1.971000       2.115000  
1 1 1 20 14 32  o 5.1780  1.2820 0.2815000E-01  2.563000  
1 1 1 20 14 33  o 3.4510  1.1050 -0.5085000     2.209000  
1 1 1 20 14 34  o 5.1680  1.2930 -1.097000      2.585000  
1 1 1 20 14 35  f 5.4940  1.3140 0.8502000E-01  2.627000  
1 1 1 20 14 36  o 10.350  0.9205 -1.874000      1.841000  
1 1 1 20 14 37  o 11.560  0.8488 2.262000       1.698000  
1 1 1 20 14 38  o 11.940  1.1380 -0.6658000     2.275000  
1 1 1 20 14 39  o 9.5940  1.0210 3.114000       2.042000  
1 1 1 20 14 40  o 4.2310  1.2450 0.2699000      2.490000  
1 1 1 20 14 41  o 4.0600  1.2100 1.007000       2.419000  
1 1 1 20 14 42  o 3.3450  1.0870 0.4827000      2.174000  
1 1 1 20 14 43  o 2.8390  0.9750 0.6937000E-01  1.950000  
1 1 1 20 14 44  o 4.9610  1.2710 -0.9141000     2.541000  
1 1 1 20 14 45  o 4.1530  1.1940 -0.8584000     2.388000  
1 1 1 20 14 46  o 8.1500  1.4460 ?              ?         
1 1 1 20 14 47  o 3.4040  1.6970 ?              ?         
1 1 1 20 15 0   o 15.140  0.7111 0.000000       0.000000  
1 1 1 20 15 1   o 13.060  0.5936 0.2405000      1.187000  
1 1 1 20 15 2   o 14.130  0.5075 -1.199000      1.015000  
1 1 1 20 15 3   o 16.060  0.4773 0.5347000      0.9546000 
1 1 1 20 15 4   o 14.280  0.5660 -0.7587000     1.132000  
1 1 1 20 15 5   o 6.9250  1.0020 0.2385000      2.004000  
1 1 1 20 15 6   o 7.2920  0.9890 3.626000       1.978000  
1 1 1 20 15 7   o 9.4570  0.7769 0.3637000      1.554000  
1 1 1 20 15 8   o 10.440  0.7298 0.8689000      1.460000  
1 1 1 20 15 9   o 16.570  0.5333 -0.1216000E-01 1.067000  
1 1 1 20 15 10  o 12.530  0.6311 0.9363000      1.262000  
1 1 1 20 15 11  o 11.890  0.6385 -1.609000      1.277000  
1 1 1 20 15 12  o 7.2400  1.0390 3.213000       2.078000  
1 1 1 20 15 13  o 7.5480  1.0210 3.552000       2.041000  
1 1 1 20 15 14  o 8.9110  0.8961 1.297000       1.792000  
1 1 1 20 15 15  o 8.8950  0.8969 0.7661000      1.794000  
1 1 1 20 15 16  o 7.7800  0.9916 -0.3668000     1.983000  
1 1 1 20 15 17  o 5.2750  1.1200 1.472000       2.240000  
1 1 1 20 15 18  o 9.2270  0.8666 -0.1437000     1.733000  
1 1 1 20 15 19  o 5.2070  1.1360 1.263000       2.273000  
1 1 1 20 15 20  o 4.2210  1.1810 -0.6279000     2.361000  
1 1 1 20 15 21  o 7.0600  1.2380 1.320000       2.477000  
1 1 1 20 15 22  o 7.4920  1.1870 1.534000       2.373000  
1 1 1 20 15 23  o 4.8700  1.2980 -0.9533000     2.597000  
1 1 1 20 15 24  o 4.3900  1.2600 -0.2175000     2.521000  
1 1 1 20 15 25  o 4.5180  1.2810 -0.5166000     2.562000  
1 1 1 20 15 26  o 4.4570  1.2800 -0.6917000     2.560000  
1 1 1 20 15 27  o 6.8070  1.2920 -0.8866000     2.585000  
1 1 1 20 15 28  f 4.0350  1.2110 -1.531000      2.422000  
1 1 1 20 15 29  o 3.7170  1.1370 0.7541000      2.274000  
1 1 1 20 15 30  o 6.6300  1.2970 -0.9962000     2.595000  
1 1 1 20 15 31  o 3.9670  1.1360 -3.126000      2.272000  
1 1 1 20 15 32  o 4.7490  1.1990 -2.941000      2.397000  
1 1 1 20 15 33  o 5.7190  1.2310 -3.464000      2.463000  
1 1 1 20 15 34  o 7.0710  1.2540 0.7944000E-01  2.508000  
1 1 1 20 15 35  o 7.8670  1.1450 -0.3813000     2.289000  
1 1 1 20 15 36  o 3.9360  1.1890 1.052000       2.378000  
1 1 1 20 15 37  o 3.6370  1.1450 0.5320000      2.289000  
1 1 1 20 15 38  o 5.6910  1.3380 -0.3869000     2.677000  
1 1 1 20 15 39  o 4.9340  1.2790 1.479000       2.558000  
1 1 1 20 15 40  o 10.820  0.8606 1.086000       1.721000  
1 1 1 20 15 41  o 3.8350  1.1720 0.8491000      2.343000  
1 1 1 20 15 42  o 3.0000  1.0110 -0.5149000E-01 2.021000  
1 1 1 20 15 43  o 3.4670  1.5420 ?              ?         
1 1 1 20 15 44  o 3.4790  1.6870 ?              ?         
1 1 1 20 16 0   o 4.4270  1.8820 -0.000000      0.000000  
1 1 1 20 16 1   f 6.3480  1.0140 2.539000       2.027000  
1 1 1 20 16 2   o 3.6650  1.0370 0.7703000      2.074000  
1 1 1 20 16 3   o 5.3210  1.0330 2.222000       2.066000  
1 1 1 20 16 4   o 5.2930  0.9962 -3.485000      1.992000  
1 1 1 20 16 5   o 16.210  0.4787 0.8890000      0.9575000 
1 1 1 20 16 6   o 11.660  0.8793 1.198000       1.759000  
1 1 1 20 16 7   o 12.860  0.7669 -0.1205000     1.534000  
1 1 1 20 16 8   o 9.5800  0.7645 -1.460000      1.529000  
1 1 1 20 16 9   o 6.9480  1.0240 -2.127000      2.049000  
1 1 1 20 16 10  o 6.1410  1.0450 2.785000       2.091000  
1 1 1 20 16 11  o 15.150  0.6063 2.090000       1.213000  
1 1 1 20 16 12  f 8.2880  0.8789 -0.5122000     1.758000  
1 1 1 20 16 13  o 7.9870  0.9277 -1.409000      1.855000  
1 1 1 20 16 14  o 9.8130  0.8205 0.8393000      1.641000  
1 1 1 20 16 15  o 8.9860  1.1460 1.149000       2.292000  
1 1 1 20 16 16  o 11.630  0.6981 -1.034000      1.396000  
1 1 1 20 16 17  o 11.200  0.7243 -0.3332000     1.449000  
1 1 1 20 16 18  o 7.5930  1.0150 -1.273000      2.030000  
1 1 1 20 16 19  o 8.0170  1.0290 1.236000       2.058000  
1 1 1 20 16 20  o 5.2800  1.1940 0.3569000      2.387000  
1 1 1 20 16 21  o 6.3330  1.1260 1.620000       2.253000  
1 1 1 20 16 22  o 6.7040  1.1510 0.2736000      2.302000  
1 1 1 20 16 23  o 5.5480  1.2840 2.345000       2.568000  
1 1 1 20 16 24  o 8.2680  1.1030 -0.8586000     2.207000  
1 1 1 20 16 25  o 4.7230  1.2870 -1.211000      2.575000  
1 1 1 20 16 26  o 5.3320  1.2780 -3.124000      2.556000  
1 1 1 20 16 27  o 4.6260  1.2770 -0.5277000     2.554000  
1 1 1 20 16 28  o 3.7480  1.1440 0.6603000      2.289000  
1 1 1 20 16 29  o 4.8870  1.2460 1.471000       2.491000  
1 1 1 20 16 30  o 3.1500  1.0530 -0.1923000     2.106000  
1 1 1 20 16 31  o 4.7640  1.2870 -0.1753000     2.573000  
1 1 1 20 16 32  o 5.3870  1.2990 1.046000       2.598000  
1 1 1 20 16 33  o 3.5030  1.1240 -0.8995000     2.247000  
1 1 1 20 16 34  o 7.1330  1.2480 -0.2394000     2.496000  
1 1 1 20 16 35  o 8.0860  1.1440 3.464000       2.288000  
1 1 1 20 16 36  o 9.6970  0.9652 0.8899000      1.930000  
1 1 1 20 16 37  o 4.8100  1.2980 0.3392000      2.596000  
1 1 1 20 16 38  o 4.2540  1.2400 -0.6524000     2.480000  
1 1 1 20 16 39  o 3.9780  1.2550 0.2312000      2.509000  
1 1 1 20 16 40  o 4.4350  1.9890 ?              ?         
1 1 1 20 16 41  o 3.4540  1.6910 ?              ?         
1 1 1 20 17 0   o 11.600  0.8346 -0.000000      0.000000  
1 1 1 20 17 1   o 12.090  0.6167 -0.3976000     1.233000  
1 1 1 20 17 2   o 8.7810  0.7340 0.6132000      1.468000  
1 1 1 20 17 3   o 6.0790  0.9974 -0.8181000     1.995000  
1 1 1 20 17 4   o 6.6840  0.9221 -1.710000      1.844000  
1 1 1 20 17 5   o 6.8060  1.0010 -1.433000      2.001000  
1 1 1 20 17 6   o 10.570  0.6014 -0.2610000     1.203000  
1 1 1 20 17 7   o 10.820  0.7014 0.1394000      1.403000  
1 1 1 20 17 8   o 8.9510  0.8535 1.019000       1.707000  
1 1 1 20 17 9   o 9.6120  1.0620 2.035000       2.125000  
1 1 1 20 17 10  o 7.2500  1.0490 3.264000       2.098000  
1 1 1 20 17 11  o 5.8380  1.1530 -1.702000      2.306000  
1 1 1 20 17 12  o 5.6690  1.1620 -1.961000      2.324000  
1 1 1 20 17 13  o 10.760  0.7722 2.011000       1.544000  
1 1 1 20 17 14  o 4.6840  1.2130 0.6800000      2.426000  
1 1 1 20 17 15  o 4.8880  1.2260 -1.235000      2.453000  
1 1 1 20 17 16  o 10.420  0.8081 0.3701000      1.616000  
1 1 1 20 17 17  o 8.9570  0.9957 3.317000       1.991000  
1 1 1 20 17 18  o 5.8090  1.1960 -0.7120000     2.392000  
1 1 1 20 17 19  o 10.030  1.1190 3.401000       2.238000  
1 1 1 20 17 20  o 4.2690  1.1710 0.1108000      2.342000  
1 1 1 20 17 21  o 11.900  0.7023 -1.535000      1.405000  
1 1 1 20 17 22  o 4.3750  1.1660 0.2970000      2.333000  
1 1 1 20 17 23  o 6.2070  1.1810 0.1097000      2.361000  
1 1 1 20 17 24  o 3.8760  1.2380 -2.098000      2.475000  
1 1 1 20 17 25  o 5.4330  1.2890 0.7813000      2.579000  
1 1 1 20 17 26  o 4.7460  1.2510 1.147000       2.501000  
1 1 1 20 17 27  o 7.5160  1.1840 2.405000       2.368000  
1 1 1 20 17 28  o 11.710  0.9179 0.2814000E-01  1.836000  
1 1 1 20 17 29  o 4.0500  1.2080 -0.7919000     2.416000  
1 1 1 20 17 30  o 8.0330  1.1110 1.648000       2.222000  
1 1 1 20 17 31  o 6.7900  1.2090 -0.2871000     2.418000  
1 1 1 20 17 32  o 3.6940  1.1360 -1.653000      2.272000  
1 1 1 20 17 33  f 8.8820  1.0840 1.059000       2.167000  
1 1 1 20 17 34  o 5.4080  1.3300 -0.4887000     2.660000  
1 1 1 20 17 35  o 5.3980  1.4930 0.5858000      2.986000  
1 1 1 20 17 36  o 3.3980  1.6590 ?              ?         
1 1 1 20 17 37  o 3.8560  1.9100 ?              ?         
1 1 1 20 18 0   o 4.3490  1.8940 -0.000000      0.000000  
1 1 1 20 18 1   o 4.8280  1.1250 -0.9313000     2.249000  
1 1 1 20 18 2   o 8.7160  0.7386 0.5329000      1.477000  
1 1 1 20 18 3   o 4.2810  1.0790 0.3715000      2.157000  
1 1 1 20 18 4   o 6.8270  0.9429 1.086000       1.886000  
1 1 1 20 18 5   o 9.3160  0.7190 2.636000       1.438000  
1 1 1 20 18 6   o 9.4920  0.7056 -0.2925000     1.411000  
1 1 1 20 18 7   o 7.7420  0.8495 0.3778000      1.699000  
1 1 1 20 18 8   o 3.5820  1.1410 -1.001000      2.282000  
1 1 1 20 18 9   o 3.1810  0.9963 0.6698000      1.993000  
1 1 1 20 18 10  o 4.7270  1.1790 -1.539000      2.359000  
1 1 1 20 18 11  o 5.7030  1.3150 -0.5386000     2.631000  
1 1 1 20 18 12  o 4.4130  1.1120 1.553000       2.224000  
1 1 1 20 18 13  o 3.3080  1.0500 -0.4867000     2.101000  
1 1 1 20 18 14  f 5.2550  1.1530 2.296000       2.306000  
1 1 1 20 18 15  o 9.5330  0.8375 -0.2356000     1.675000  
1 1 1 20 18 16  o 10.230  0.8100 1.172000       1.620000  
1 1 1 20 18 17  o 10.620  0.7922 1.113000       1.584000  
1 1 1 20 18 18  o 5.7410  1.1240 3.162000       2.248000  
1 1 1 20 18 19  o 4.5290  1.1500 0.9354000      2.299000  
1 1 1 20 18 20  o 6.9790  1.1080 0.2473000      2.216000  
1 1 1 20 18 21  o 3.9670  1.1650 -0.7010000     2.330000  
1 1 1 20 18 22  o 3.8750  1.1370 0.1805000      2.275000  
1 1 1 20 18 23  o 3.7620  1.0390 1.630000       2.077000  
1 1 1 20 18 24  o 4.0170  1.1630 -1.474000      2.326000  
1 1 1 20 18 25  o 3.8260  1.1950 -0.1792000E-01 2.389000  
1 1 1 20 18 26  o 5.1920  1.2690 0.4603000      2.538000  
1 1 1 20 18 27  o 3.3130  1.0660 -1.493000      2.132000  
1 1 1 20 18 28  o 4.9260  1.2870 1.507000       2.574000  
1 1 1 20 18 29  o 5.0470  1.2680 -2.483000      2.535000  
1 1 1 20 18 30  o 4.7780  1.4040 0.1777000      2.808000  
1 1 1 20 18 31  o 3.7860  1.8850 ?              ?         
1 1 1 20 19 0   o 11.190  0.8787 0.000000       0.000000  
1 1 1 20 19 1   o 8.0810  0.9391 -2.132000      1.878000  
1 1 1 20 19 2   o 8.6950  0.7663 0.1534000      1.533000  
1 1 1 20 19 3   o 5.3050  1.0760 -1.731000      2.152000  
1 1 1 20 19 4   o 7.8540  0.9843 0.7474000      1.969000  
1 1 1 20 19 5   o 4.6080  1.0810 -1.834000      2.161000  
1 1 1 20 19 6   o 4.4210  1.1280 -0.5181000     2.257000  
1 1 1 20 19 7   o 4.8650  1.0140 3.142000       2.029000  
1 1 1 20 19 8   o 4.3480  1.0860 1.378000       2.173000  
1 1 1 20 19 9   o 3.6710  1.0690 0.7503000      2.138000  
1 1 1 20 19 10  o 3.8300  1.1310 -1.116000      2.262000  
1 1 1 20 19 11  o 6.0610  1.1580 0.2956000      2.315000  
1 1 1 20 19 12  o 7.0360  1.1450 3.708000       2.290000  
1 1 1 20 19 13  o 6.1900  1.0890 2.790000       2.177000  
1 1 1 20 19 14  o 5.0420  1.2110 0.4782000E-02  2.423000  
1 1 1 20 19 15  o 4.5880  1.1750 1.342000       2.351000  
1 1 1 20 19 16  o 6.2640  1.1490 -1.300000      2.298000  
1 1 1 20 19 17  o 4.7830  1.1540 1.045000       2.307000  
1 1 1 20 19 18  o 4.8660  1.0900 2.290000       2.180000  
1 1 1 20 19 19  o 7.5000  1.0760 3.222000       2.151000  
1 1 1 20 19 20  o 4.5550  1.2120 0.6698000      2.423000  
1 1 1 20 19 21  o 4.8160  1.1820 0.3332000      2.364000  
1 1 1 20 19 22  o 5.3140  1.1660 1.828000       2.332000  
1 1 1 20 19 23  f 4.1080  1.2610 0.1069000      2.522000  
1 1 1 20 20 0   o 6.0820  1.7020 0.000000       0.000000  
1 1 1 20 20 1   o 5.3030  1.1100 0.7617000E-01  2.220000  
1 1 1 20 20 2   o 5.9840  1.1410 0.4452000      2.281000  
1 1 1 20 20 3   o 4.9150  1.0860 1.568000       2.172000  
1 1 1 20 20 4   o 3.7950  1.0670 1.411000       2.133000  
1 1 1 20 20 5   o 9.0480  0.7612 -0.6658000     1.522000  
1 1 1 20 20 6   o 7.2810  1.0300 1.122000       2.061000  
1 1 1 20 20 7   o 6.6820  1.0090 1.285000       2.018000  
1 1 1 20 20 8   o 4.8910  1.1220 1.889000       2.244000  
1 1 1 20 20 9   o 4.1160  1.1370 0.7285000      2.273000  
1 1 1 20 20 10  o 5.0800  1.2800 -0.4189000     2.560000  
1 1 1 20 20 11  o 7.5030  1.3510 2.753000       2.702000  
1 1 1 20 20 12  o 5.3750  1.2350 3.624000       2.469000  
1 1 1 20 20 13  o 6.0870  1.5890 3.171000       3.178000  
1 1 1 20 20 14  o 4.5480  2.1190 ?              ?         
1 1 1 20 20 15  o 3.1560  1.5900 ?              ?         
1 1 1 20 20 16  o 4.5260  2.1190 ?              ?         
1 1 1 21 0  1   o 2.2360  1.3430 0.000000       0.000000  
1 1 1 21 0  2   o 9.9470  0.6291 -0.000000      0.000000  
1 1 1 21 0  3   f 8.8850  0.6791 0.000000       0.000000  
1 1 1 21 0  4   o 9.3790  0.6514 0.000000       0.000000  
1 1 1 21 0  5   o 21.200  0.6628 0.000000       0.000000  
1 1 1 21 0  6   o 18.210  0.6139 0.000000       0.000000  
1 1 1 21 0  8   o 23.870  0.7338 0.000000       0.000000  
1 1 1 21 0  10  o 11.590  0.8783 0.000000       0.000000  
1 1 1 21 0  11  o 8.2590  1.1570 0.000000       0.000000  
1 1 1 21 0  12  o 3.8400  1.9110 0.000000       0.000000  
1 1 1 21 0  13  o 13.060  0.8998 0.000000       0.000000  
1 1 1 21 0  14  o 19.640  0.9774 0.000000       0.000000  
1 1 1 21 0  32  o 1.4180  0.9298 0.000000       0.000000  
1 1 1 21 0  33  o 6.7970  0.7142 0.000000       0.000000  
1 1 1 21 0  34  o 11.570  0.6828 0.000000       0.000000  
1 1 1 21 0  35  o 2.0390  1.2930 0.000000       0.000000  
1 1 1 21 0  36  o 6.0830  1.2240 0.000000       0.000000  
1 1 1 21 0  37  o 10.730  0.8200 0.000000       0.000000  
1 1 1 21 0  38  o 12.040  0.8636 0.000000       0.000000  
1 1 1 21 0  39  o 11.450  0.9415 0.000000       0.000000  
1 1 1 21 0  40  o 11.280  1.0300 0.000000       0.000000  
1 1 1 21 0  41  f 2.7950  1.7370 0.000000       0.000000  
1 1 1 21 0  42  o 2.9760  1.8190 0.000000       0.000000  
1 1 1 21 0  43  o 4.7740  2.1300 0.000000       0.000000  
1 1 1 21 0  44  o 4.1460  2.1320 0.000000       0.000000  
1 1 1 21 0  45  o 10.360  1.3230 0.000000       0.000000  
1 1 1 21 0  46  o 3.6370  2.0850 0.000000       0.000000  
1 1 1 21 0  47  o 5.5090  2.3850 0.000000       0.000000  
1 1 1 21 0  48  o 3.0990  1.9790 0.000000       0.000000  
1 1 1 21 0  49  f 6.5920  2.3690 0.000000       0.000000  
1 1 1 21 0  50  o 3.0570  1.9970 0.000000       0.000000  
1 1 1 21 0  51  o 3.9020  2.3110 0.000000       0.000000  
1 1 1 21 0  52  o 2.9200  1.9440 0.000000       0.000000  
1 1 1 21 0  53  o 3.0740  2.0230 0.000000       0.000000  
1 1 1 21 0  54  o 2.6830  1.8540 0.000000       0.000000  
1 1 1 21 0  55  o 14.240  1.3680 0.000000       0.000000  
1 1 1 21 0  56  o 4.7460  2.5120 0.000000       0.000000  
1 1 1 21 0  57  o 5.5310  2.6490 0.000000       0.000000  
1 1 1 21 0  58  o 2.6910  1.8600 0.000000       0.000000  
1 1 1 21 0  59  o 5.6860  2.7300 0.000000       0.000000  
1 1 1 21 1  1   o 23.550  0.5058 -0.2253000     1.012000  
1 1 1 21 1  3   o 23.140  0.5008 -0.4054000     1.002000  
1 1 1 21 1  4   o 20.090  0.4574 -0.7927000     0.9148000 
1 1 1 21 1  6   o 22.210  0.4641 -0.2090000     0.9282000 
1 1 1 21 1  7   o 20.750  0.6297 -3.186000      1.259000  
1 1 1 21 1  8   o 10.190  0.7601 -6.785000      1.520000  
1 1 1 21 1  9   o 14.020  0.5651 -1.161000      1.130000  
1 1 1 21 1  10  o 16.740  0.6406 1.491000       1.281000  
1 1 1 21 1  11  o 9.2210  0.8786 -4.451000      1.757000  
1 1 1 21 1  12  o 8.9910  1.2110 ?              ?         
1 1 1 21 1  13  o 11.480  1.0290 ?              ?         
1 1 1 21 1  14  o 4.4980  1.7020 ?              ?         
1 1 1 21 1  15  f 16.100  0.9673 ?              ?         
1 1 1 21 1  16  f 6.6690  1.7270 ?              ?         
1 1 1 21 1  17  o 8.8340  1.4970 ?              ?         
1 1 1 21 1  18  o 24.220  1.1620 ?              ?         
1 1 1 21 1  19  o 20.460  1.1010 ?              ?         
1 1 1 21 1  20  o 5.9360  2.0320 ?              ?         
1 1 1 21 1  21  o 13.350  1.4160 ?              ?         
1 1 1 21 1  22  o 7.2720  2.2160 ?              ?         
1 1 1 21 1  23  o 5.2030  2.0820 ?              ?         
1 1 1 21 1  24  o 11.720  1.6080 ?              ?         
1 1 1 21 1  29  o 3.1340  1.2570 ?              ?         
1 1 1 21 1  30  o 13.610  0.7370 ?              ?         
1 1 1 21 1  31  o 4.9950  1.2500 ?              ?         
1 1 1 21 1  32  o 6.5790  1.0440 ?              ?         
1 1 1 21 1  33  o 3.0220  1.2560 ?              ?         
1 1 1 21 1  34  o 7.3500  0.9838 ?              ?         
1 1 1 21 1  35  o 12.110  0.6408 20.37000       1.282000  
1 1 1 21 1  36  o 9.0420  0.6520 12.46000       1.304000  
1 1 1 21 1  37  o 12.490  0.5533 -0.9499000E-01 1.107000  
1 1 1 21 1  38  o 8.5460  0.7144 0.8587000      1.429000  
1 1 1 21 1  39  o 4.2880  1.0800 0.1803000      2.160000  
1 1 1 21 1  40  o 7.6570  0.9348 1.637000       1.870000  
1 1 1 21 1  41  o 9.7080  0.8223 0.7256000      1.645000  
1 1 1 21 1  42  o 11.190  0.8017 0.2665000      1.603000  
1 1 1 21 1  43  o 3.7960  1.1480 0.8378000      2.297000  
1 1 1 21 1  44  o 7.6580  1.1410 0.1842000      2.282000  
1 1 1 21 1  45  o 3.9880  1.1900 0.5573000E-01  2.380000  
1 1 1 21 1  46  o 4.8030  1.2940 -1.208000      2.589000  
1 1 1 21 1  47  o 4.2790  1.2460 1.125000       2.492000  
1 1 1 21 1  48  o 4.7270  1.3260 1.202000       2.652000  
1 1 1 21 1  49  o 7.7720  1.4110 -0.8027000     2.822000  
1 1 1 21 1  50  o 10.200  1.1350 1.382000       2.270000  
1 1 1 21 1  51  o 4.8110  1.3810 0.7632000      2.761000  
1 1 1 21 1  52  o 3.4220  1.1560 0.3547000      2.312000  
1 1 1 21 1  53  o 5.9820  1.4990 -0.9125000     2.998000  
1 1 1 21 1  54  o 4.4840  1.3680 0.4340000E-02  2.737000  
1 1 1 21 1  55  o 4.0370  1.2870 0.8107000      2.575000  
1 1 1 21 1  56  o 3.6050  1.2050 0.4239000      2.409000  
1 1 1 21 1  57  o 7.6410  1.4170 4.525000       2.834000  
1 1 1 21 1  58  o 5.8280  1.5150 1.104000       3.030000  
1 1 1 21 1  59  o 4.3520  1.9500 ?              ?         
1 1 1 21 2  0   o 13.050  0.5587 -0.000000      0.000000  
1 1 1 21 2  1   o 17.260  0.4056 0.7434000      0.8111000 
1 1 1 21 2  2   o 16.340  0.3981 -0.1146000     0.7962000 
1 1 1 21 2  3   o 16.040  0.3950 -0.8251000     0.7899000 
1 1 1 21 2  4   o 13.270  0.5681 1.578000       1.136000  
1 1 1 21 2  5   o 19.980  0.5096 1.671000       1.019000  
1 1 1 21 2  6   o 11.360  0.6429 -5.296000      1.286000  
1 1 1 21 2  7   o 15.070  0.6427 1.407000       1.285000  
1 1 1 21 2  8   o 28.170  0.8614 2.405000       1.723000  
1 1 1 21 2  9   o 18.110  0.7025 -8.685000      1.405000  
1 1 1 21 2  10  o 8.7870  0.8831 -2.242000      1.766000  
1 1 1 21 2  11  o 11.730  0.7197 3.279000       1.439000  
1 1 1 21 2  12  o 4.6330  1.1710 -0.7366000     2.343000  
1 1 1 21 2  13  o 4.0670  1.1480 0.8825000      2.297000  
1 1 1 21 2  14  o 9.6710  0.8300 1.195000       1.660000  
1 1 1 21 2  15  o 4.6260  1.7530 ?              ?         
1 1 1 21 2  16  o 4.1270  1.7160 ?              ?         
1 1 1 21 2  17  o 10.520  1.2900 ?              ?         
1 1 1 21 2  18  o 6.0170  1.8580 ?              ?         
1 1 1 21 2  19  o 6.3720  1.9720 ?              ?         
1 1 1 21 2  20  o 3.7800  1.7020 ?              ?         
1 1 1 21 2  21  o 5.4730  2.0200 ?              ?         
1 1 1 21 2  22  o 10.020  1.6710 ?              ?         
1 1 1 21 2  23  o 17.960  1.2020 ?              ?         
1 1 1 21 2  24  o 6.4280  2.2120 ?              ?         
1 1 1 21 2  25  f 12.570  1.5650 ?              ?         
1 1 1 21 2  26  o 6.1010  1.2730 0.9490000      2.545000  
1 1 1 21 2  27  o 8.6640  1.3020 -0.3656000     2.604000  
1 1 1 21 2  28  o 20.310  0.8458 -2.746000      1.692000  
1 1 1 21 2  29  o 8.4170  1.2750 -2.640000      2.551000  
1 1 1 21 2  30  o 16.520  0.9186 0.9930000      1.837000  
1 1 1 21 2  31  o 10.920  1.1870 0.3417000      2.374000  
1 1 1 21 2  32  o 6.3570  1.2150 2.805000       2.431000  
1 1 1 21 2  33  o 11.270  0.8305 ?              ?         
1 1 1 21 2  34  o 11.050  0.8764 ?              ?         
1 1 1 21 2  35  o 3.5640  1.4540 ?              ?         
1 1 1 21 2  36  o 4.0120  1.5510 ?              ?         
1 1 1 21 2  37  o 4.0570  1.5810 ?              ?         
1 1 1 21 2  38  o 5.2420  0.7233 7.338000       1.447000  
1 1 1 21 2  39  o 3.8780  1.0270 0.6835000      2.054000  
1 1 1 21 2  40  f 7.3450  0.9355 0.8139000      1.871000  
1 1 1 21 2  41  o 10.130  0.7830 -1.043000      1.566000  
1 1 1 21 2  42  o 5.1320  1.8090 ?              ?         
1 1 1 21 2  43  o 9.3620  0.9560 3.337000       1.912000  
1 1 1 21 2  44  o 7.5480  1.1570 -0.5915000     2.314000  
1 1 1 21 2  45  o 8.2320  1.1370 0.7021000      2.275000  
1 1 1 21 2  46  o 6.4810  1.3120 1.178000       2.624000  
1 1 1 21 2  47  o 5.3060  1.3790 -0.2332000     2.759000  
1 1 1 21 2  48  o 4.7710  1.3120 1.540000       2.624000  
1 1 1 21 2  49  o 3.7370  1.2020 0.1286000      2.403000  
1 1 1 21 2  50  o 4.0080  1.2660 -0.2420000     2.532000  
1 1 1 21 2  51  o 3.9050  1.2430 -0.7711000     2.486000  
1 1 1 21 2  52  o 3.3260  1.1240 0.3488000E-03  2.248000  
1 1 1 21 2  53  o 8.2730  1.4400 2.362000       2.879000  
1 1 1 21 2  54  o 5.6140  1.4390 2.725000       2.878000  
1 1 1 21 2  55  o 3.5730  1.1870 0.8597000      2.374000  
1 1 1 21 2  56  o 9.6410  1.2880 0.6336000      2.576000  
1 1 1 21 2  57  o 4.3910  1.3660 0.2096000      2.731000  
1 1 1 21 2  58  o 4.9490  1.4480 1.077000       2.896000  
1 1 1 21 3  0   o 17.470  0.5517 -0.000000      0.000000  
1 1 1 21 3  1   f 12.630  0.4832 0.1235000      0.9663000 
1 1 1 21 3  2   o 22.490  0.4437 0.1191000      0.8874000 
1 1 1 21 3  3   o 25.370  0.5709 -0.1235000     1.142000  
1 1 1 21 3  4   o 20.370  0.5400 -0.5066000E-01 1.080000  
1 1 1 21 3  5   o 6.9980  1.4520 ?              ?         
1 1 1 21 3  6   o 10.720  0.7286 -2.439000      1.457000  
1 1 1 21 3  7   o 9.1710  0.8035 -0.2742000     1.607000  
1 1 1 21 3  8   o 8.9590  0.8119 0.6255000      1.624000  
1 1 1 21 3  9   o 4.8110  1.1090 -2.333000      2.219000  
1 1 1 21 3  10  o 4.4800  1.1660 0.4367000      2.332000  
1 1 1 21 3  11  o 7.9160  0.9505 -0.3152000     1.901000  
1 1 1 21 3  12  o 5.4160  1.2000 -1.541000      2.401000  
1 1 1 21 3  13  o 12.060  0.7575 1.167000       1.515000  
1 1 1 21 3  14  o 12.770  0.7590 -3.281000      1.518000  
1 1 1 21 3  15  o 16.010  0.6928 2.304000       1.386000  
1 1 1 21 3  16  o 6.4280  1.0920 -5.617000      2.184000  
1 1 1 21 3  17  o 10.540  0.9131 2.588000       1.826000  
1 1 1 21 3  18  o 7.4470  1.7870 ?              ?         
1 1 1 21 3  19  o 5.5210  1.9350 ?              ?         
1 1 1 21 3  20  o 12.520  1.2000 ?              ?         
1 1 1 21 3  21  o 5.2390  1.9720 ?              ?         
1 1 1 21 3  22  o 6.4780  2.9820 ?              ?         
1 1 1 21 3  23  o 9.1630  1.9040 ?              ?         
1 1 1 21 3  24  o 6.5870  1.3150 0.2329000E-02  2.630000  
1 1 1 21 3  25  f 13.700  0.8793 0.4832000      1.759000  
1 1 1 21 3  26  o 15.720  0.8452 -0.3969000     1.690000  
1 1 1 21 3  27  o 9.3270  1.2830 4.176000       2.565000  
1 1 1 21 3  28  o 16.550  0.9387 2.509000       1.877000  
1 1 1 21 3  29  o 8.8210  1.4020 1.455000       2.804000  
1 1 1 21 3  30  o 11.290  1.3630 3.583000       2.726000  
1 1 1 21 3  31  o 5.3570  1.1790 2.559000       2.359000  
1 1 1 21 3  32  o 24.910  0.9460 -3.029000      1.892000  
1 1 1 21 3  33  o 9.9280  1.4270 4.562000       2.853000  
1 1 1 21 3  34  o 5.1460  1.4520 -0.9633000     2.903000  
1 1 1 21 3  35  o 13.370  1.0830 -1.597000      2.166000  
1 1 1 21 3  36  o 7.7230  1.3700 2.890000       2.739000  
1 1 1 21 3  37  o 4.3340  1.3580 -1.214000      2.716000  
1 1 1 21 3  38  o 4.1120  1.3050 -0.6451000     2.611000  
1 1 1 21 3  39  o 5.3310  1.4550 0.8967000E-02  2.910000  
1 1 1 21 3  40  o 2.9700  0.9556 2.193000       1.911000  
1 1 1 21 3  41  o 6.6390  1.7750 ?              ?         
1 1 1 21 3  42  o 5.2240  1.8310 ?              ?         
1 1 1 21 3  43  o 4.8310  1.2320 0.3655000      2.464000  
1 1 1 21 3  44  o 9.7860  0.9644 -1.501000      1.929000  
1 1 1 21 3  45  o 6.3800  1.3220 -1.066000      2.645000  
1 1 1 21 3  46  o 12.080  0.8987 1.265000       1.797000  
1 1 1 21 3  47  o 6.5510  1.3750 0.5145000      2.749000  
1 1 1 21 3  48  o 3.7730  1.1930 -1.003000      2.387000  
1 1 1 21 3  49  o 3.4650  1.1410 -0.9323000     2.282000  
1 1 1 21 3  50  o 4.1520  1.2910 -0.1301000     2.581000  
1 1 1 21 3  51  o 3.8130  1.2370 0.1447000      2.473000  
1 1 1 21 3  52  o 4.8870  1.4340 -0.9989000     2.868000  
1 1 1 21 3  53  o 4.1200  1.3120 -0.2720000     2.624000  
1 1 1 21 3  54  o 3.4130  1.1590 -0.9677000     2.319000  
1 1 1 21 3  55  o 6.8550  1.4260 3.311000       2.851000  
1 1 1 21 3  56  o 4.2600  1.3370 -0.5478000     2.673000  
1 1 1 21 3  57  o 7.5440  1.3740 5.361000       2.748000  
1 1 1 21 3  58  o 3.2320  1.5780 ?              ?         
1 1 1 21 4  0   o 9.9100  0.9499 -0.000000      0.000000  
1 1 1 21 4  1   o 9.9810  0.9996 ?              ?         
1 1 1 21 4  2   o 14.100  0.4812 1.472000       0.9624000 
1 1 1 21 4  3   o 15.450  0.4886 -1.900000      0.9772000 
1 1 1 21 4  4   o 7.8190  0.6166 -2.390000      1.233000  
1 1 1 21 4  5   f 7.2240  0.9671 2.730000       1.934000  
1 1 1 21 4  6   o 14.160  0.6325 -0.2488000     1.265000  
1 1 1 21 4  7   o 7.1050  0.9631 -4.721000      1.926000  
1 1 1 21 4  8   o 11.860  0.6882 -0.3915000E-01 1.376000  
1 1 1 21 4  9   o 9.1370  0.8278 -0.3520000     1.656000  
1 1 1 21 4  10  o 9.0020  0.8501 -0.3272000     1.700000  
1 1 1 21 4  11  o 15.230  0.6697 2.242000       1.339000  
1 1 1 21 4  12  o 14.040  0.6806 0.9893000E-01  1.361000  
1 1 1 21 4  13  o 10.070  0.8492 -1.070000      1.698000  
1 1 1 21 4  14  o 11.660  0.7972 1.073000       1.594000  
1 1 1 21 4  15  o 6.1550  1.2440 -2.135000      2.487000  
1 1 1 21 4  16  o 10.410  0.8880 -1.266000      1.776000  
1 1 1 21 4  17  o 7.5670  1.1890 -0.1746000     2.379000  
1 1 1 21 4  18  o 9.5880  1.0410 1.515000       2.082000  
1 1 1 21 4  19  o 9.6820  1.0330 0.4001000      2.065000  
1 1 1 21 4  20  o 5.5550  1.9950 ?              ?         
1 1 1 21 4  21  o 19.420  0.7197 1.300000       1.439000  
1 1 1 21 4  22  o 10.690  0.9021 -2.698000      1.804000  
1 1 1 21 4  23  o 11.670  0.9048 1.520000       1.810000  
1 1 1 21 4  24  o 5.0970  1.2580 0.6896000      2.516000  
1 1 1 21 4  25  f 6.0860  1.4800 1.402000       2.959000  
1 1 1 21 4  26  o 5.1170  1.1510 2.265000       2.302000  
1 1 1 21 4  27  o 17.010  0.7970 0.1529000      1.594000  
1 1 1 21 4  28  o 8.2580  1.2690 -0.6043000     2.538000  
1 1 1 21 4  29  f 14.500  0.8980 -0.3750000E-01 1.796000  
1 1 1 21 4  30  o 13.440  0.9304 -2.406000      1.861000  
1 1 1 21 4  31  o 7.6070  1.3600 1.297000       2.721000  
1 1 1 21 4  32  o 4.0760  1.2210 0.3500000      2.443000  
1 1 1 21 4  33  o 5.2930  1.4760 -2.817000      2.952000  
1 1 1 21 4  34  o 5.2820  1.3320 1.188000       2.665000  
1 1 1 21 4  35  o 8.4030  1.4400 0.3465000      2.880000  
1 1 1 21 4  36  o 7.3570  1.2870 3.950000       2.574000  
1 1 1 21 4  37  o 6.6450  1.4160 1.363000       2.831000  
1 1 1 21 4  38  o 9.0150  1.3580 1.052000       2.717000  
1 1 1 21 4  39  o 3.7150  1.2170 -0.3547000     2.434000  
1 1 1 21 4  40  f 4.5090  1.3940 -1.211000      2.788000  
1 1 1 21 4  41  f 4.6520  1.0770 0.3826000E-01  2.154000  
1 1 1 21 4  42  o 6.3990  0.9818 1.184000       1.964000  
1 1 1 21 4  43  o 4.0690  1.1690 0.5486000      2.338000  
1 1 1 21 4  44  o 6.2320  1.2530 0.1183000      2.505000  
1 1 1 21 4  45  o 7.5150  1.1730 1.134000       2.347000  
1 1 1 21 4  46  f 9.7970  1.0160 2.599000       2.032000  
1 1 1 21 4  47  o 4.9620  1.3540 -0.2434000     2.709000  
1 1 1 21 4  48  o 7.0380  1.3920 -0.2206000     2.785000  
1 1 1 21 4  49  o 4.8640  1.3590 1.586000       2.719000  
1 1 1 21 4  50  o 3.6500  1.1990 0.3187000      2.399000  
1 1 1 21 4  51  o 4.2220  1.3130 0.3823000      2.625000  
1 1 1 21 4  52  o 5.2530  1.4000 1.823000       2.800000  
1 1 1 21 4  53  o 4.0560  1.2790 0.5626000      2.558000  
1 1 1 21 4  54  o 4.0100  1.2630 0.5448000      2.526000  
1 1 1 21 4  55  o 5.3860  1.4170 1.902000       2.834000  
1 1 1 21 4  56  o 5.9210  2.1970 ?              ?         
1 1 1 21 5  0   o 12.860  0.8095 0.000000       0.000000  
1 1 1 21 5  1   o 16.690  0.5311 -0.9511000E-01 1.062000  
1 1 1 21 5  2   o 10.540  0.9380 ?              ?         
1 1 1 21 5  3   o 22.780  0.6025 0.1752000      1.205000  
1 1 1 21 5  4   o 17.870  0.6000 ?              ?         
1 1 1 21 5  5   f 16.460  0.6225 -1.888000      1.245000  
1 1 1 21 5  6   o 13.380  0.9540 ?              ?         
1 1 1 21 5  7   o 16.840  0.6320 1.403000       1.264000  
1 1 1 21 5  8   o 10.330  0.7882 -2.451000      1.576000  
1 1 1 21 5  9   o 17.110  0.6432 -0.8472000     1.286000  
1 1 1 21 5  10  o 9.0270  0.9514 -5.077000      1.903000  
1 1 1 21 5  11  o 6.1230  1.1650 0.2143000      2.330000  
1 1 1 21 5  12  o 6.0800  1.1700 1.777000       2.339000  
1 1 1 21 5  13  o 4.3660  1.1480 -1.984000      2.296000  
1 1 1 21 5  14  o 4.8050  1.2350 0.9141000      2.469000  
1 1 1 21 5  15  o 11.230  0.8346 0.8819000      1.669000  
1 1 1 21 5  16  o 12.140  0.8006 1.557000       1.601000  
1 1 1 21 5  17  o 10.260  0.9532 -1.650000      1.906000  
1 1 1 21 5  18  o 9.2200  1.0530 -0.6071000     2.106000  
1 1 1 21 5  19  o 16.480  0.6569 0.7614000      1.314000  
1 1 1 21 5  20  o 6.0800  1.2280 -2.333000      2.457000  
1 1 1 21 5  21  o 13.020  0.7636 1.398000       1.527000  
1 1 1 21 5  22  o 11.290  0.8348 0.1684000      1.670000  
1 1 1 21 5  23  o 8.2780  1.1280 -2.751000      2.256000  
1 1 1 21 5  24  o 5.3760  1.1910 2.312000       2.381000  
1 1 1 21 5  25  o 14.150  0.8382 1.351000       1.676000  
1 1 1 21 5  26  o 4.2530  1.2700 -0.8498000     2.541000  
1 1 1 21 5  27  o 14.940  0.8518 0.7058000      1.704000  
1 1 1 21 5  28  o 7.5850  1.2790 1.382000       2.558000  
1 1 1 21 5  29  o 10.700  1.1180 0.8135000      2.236000  
1 1 1 21 5  30  o 5.1560  1.4170 -2.927000      2.835000  
1 1 1 21 5  31  o 13.690  0.9955 2.237000       1.991000  
1 1 1 21 5  32  o 8.2920  1.3360 -1.417000      2.672000  
1 1 1 21 5  33  o 5.0250  1.3920 -0.4771000     2.784000  
1 1 1 21 5  34  o 9.1710  1.3490 1.485000       2.698000  
1 1 1 21 5  35  o 8.2020  1.3570 2.586000       2.714000  
1 1 1 21 5  36  o 11.590  1.2850 5.157000       2.570000  
1 1 1 21 5  37  o 5.3260  1.3710 1.422000       2.742000  
1 1 1 21 5  38  o 7.0690  1.4890 0.1227000      2.977000  
1 1 1 21 5  39  f 6.8950  1.4210 2.207000       2.843000  
1 1 1 21 5  40  o 8.1270  1.3630 4.752000       2.727000  
1 1 1 21 5  41  o 6.0900  1.5230 0.5064000      3.046000  
1 1 1 21 5  42  o 10.150  0.8201 -1.666000      1.640000  
1 1 1 21 5  43  o 3.3530  1.0320 1.232000       2.065000  
1 1 1 21 5  44  o 5.3980  1.1590 1.707000       2.318000  
1 1 1 21 5  45  f 4.6830  1.1310 -0.2153000     2.262000  
1 1 1 21 5  46  o 4.0330  1.1620 1.288000       2.323000  
1 1 1 21 5  47  o 3.3220  1.0980 -0.3053000     2.197000  
1 1 1 21 5  48  o 3.5010  1.1490 0.7922000E-01  2.298000  
1 1 1 21 5  49  o 4.1320  1.2650 0.9151000E-01  2.530000  
1 1 1 21 5  50  o 6.9440  1.3290 3.444000       2.659000  
1 1 1 21 5  51  o 6.9770  1.6380 -0.4884000     3.275000  
1 1 1 21 5  52  o 5.7830  1.5320 2.669000       3.064000  
1 1 1 21 5  53  o 4.7160  1.3790 0.9696000      2.757000  
1 1 1 21 5  54  o 6.5130  1.4370 3.192000       2.874000  
1 1 1 21 5  55  o 5.3850  1.4780 2.525000       2.955000  
1 1 1 21 6  0   o 8.4200  1.0980 0.000000       0.000000  
1 1 1 21 6  1   o 5.9070  1.4210 ?              ?         
1 1 1 21 6  2   o 20.130  0.5243 0.5886000      1.049000  
1 1 1 21 6  3   o 10.650  0.7002 ?              ?         
1 1 1 21 6  4   o 12.910  0.6645 -0.6251000     1.329000  
1 1 1 21 6  5   o 7.2350  1.5160 ?              ?         
1 1 1 21 6  6   o 13.460  0.6552 1.238000       1.310000  
1 1 1 21 6  7   o 8.6620  0.9599 -4.291000      1.920000  
1 1 1 21 6  8   o 8.5140  0.9166 1.299000       1.833000  
1 1 1 21 6  9   o 6.3130  1.5490 -0.8268000     3.098000  
1 1 1 21 6  10  o 6.3230  1.1490 -0.5760000     2.298000  
1 1 1 21 6  11  o 15.110  0.6802 3.124000       1.360000  
1 1 1 21 6  12  o 16.440  0.7044 4.405000       1.409000  
1 1 1 21 6  13  o 25.610  0.7548 -0.9013000     1.510000  
1 1 1 21 6  14  o 9.7790  1.2950 ?              ?         
1 1 1 21 6  15  o 13.170  0.7834 2.123000       1.567000  
1 1 1 21 6  16  o 8.0380  1.1470 -2.020000      2.293000  
1 1 1 21 6  17  o 15.190  0.6705 3.666000       1.341000  
1 1 1 21 6  18  o 5.2780  1.2240 -1.856000      2.448000  
1 1 1 21 6  19  o 9.8090  0.8346 -1.574000      1.669000  
1 1 1 21 6  20  o 12.420  0.8097 2.841000       1.619000  
1 1 1 21 6  21  f 11.280  0.8116 -0.3782000     1.623000  
1 1 1 21 6  22  o 14.700  0.7208 1.217000       1.442000  
1 1 1 21 6  23  o 5.7430  1.2620 -1.987000      2.523000  
1 1 1 21 6  24  o 10.340  1.1030 7.161000       2.206000  
1 1 1 21 6  25  o 15.470  0.7157 -0.2851000     1.431000  
1 1 1 21 6  26  o 7.6450  1.2710 -0.4053000     2.543000  
1 1 1 21 6  27  o 18.730  0.7705 -0.1558000     1.541000  
1 1 1 21 6  28  o 15.990  0.8108 -1.417000      1.622000  
1 1 1 21 6  29  o 7.9470  1.2340 -2.405000      2.467000  
1 1 1 21 6  30  o 12.150  1.9740 3.719000       3.949000  
1 1 1 21 6  31  o 14.620  0.8642 -0.4412000E-01 1.728000  
1 1 1 21 6  32  o 6.9040  1.2540 3.373000       2.509000  
1 1 1 21 6  33  o 10.280  1.1290 -0.3206000     2.258000  
1 1 1 21 6  34  o 9.4660  1.2640 2.558000       2.527000  
1 1 1 21 6  35  o 6.8810  1.4070 -2.954000      2.815000  
1 1 1 21 6  36  o 6.9310  1.4490 -0.6618000     2.897000  
1 1 1 21 6  37  o 5.5900  1.4740 -0.5139000     2.949000  
1 1 1 21 6  38  o 9.1510  1.3500 -2.196000      2.700000  
1 1 1 21 6  39  o 5.2550  1.4030 1.178000       2.805000  
1 1 1 21 6  40  f 5.0440  1.4910 -1.453000      2.982000  
1 1 1 21 6  41  o 5.3590  1.5300 -0.3817000     3.060000  
1 1 1 21 6  42  o 8.3620  0.9358 -0.4529000     1.872000  
1 1 1 21 6  43  o 7.7610  0.9600 0.2719000      1.920000  
1 1 1 21 6  44  o 6.9180  1.0390 0.9945000      2.079000  
1 1 1 21 6  45  o 4.8140  1.2130 1.925000       2.427000  
1 1 1 21 6  46  o 6.5550  1.1470 -1.299000      2.294000  
1 1 1 21 6  47  o 7.5950  1.1730 1.529000       2.347000  
1 1 1 21 6  48  o 4.6960  1.2140 -0.3301000E-01 2.427000  
1 1 1 21 6  49  o 3.3490  1.1000 1.576000       2.199000  
1 1 1 21 6  50  o 4.2250  1.3080 -0.2944000     2.616000  
1 1 1 21 6  51  o 6.0810  1.4480 -0.3965000     2.896000  
1 1 1 21 6  52  o 2.6660  1.2950 ?              ?         
1 1 1 21 6  53  o 7.3280  1.3490 2.778000       2.697000  
1 1 1 21 6  54  o 7.2870  1.2190 7.590000       2.437000  
1 1 1 21 7  0   o 20.860  0.7333 -0.000000      0.000000  
1 1 1 21 7  1   o 16.070  0.7367 ?              ?         
1 1 1 21 7  2   o 22.230  0.5447 0.6364000E-01  1.089000  
1 1 1 21 7  4   o 19.180  0.6493 2.866000       1.299000  
1 1 1 21 7  5   o 17.870  0.6282 ?              ?         
1 1 1 21 7  6   o 10.860  1.1350 ?              ?         
1 1 1 21 7  7   o 14.160  0.6598 -0.3797000     1.320000  
1 1 1 21 7  8   f 12.010  0.7136 -1.453000      1.427000  
1 1 1 21 7  9   o 7.1610  0.9647 -6.791000      1.929000  
1 1 1 21 7  10  o 5.9740  1.5270 -0.5083000E-01 3.055000  
1 1 1 21 7  11  o 10.550  1.2300 ?              ?         
1 1 1 21 7  12  o 15.870  0.6975 0.4986000      1.395000  
1 1 1 21 7  13  o 15.230  0.7212 -2.400000      1.442000  
1 1 1 21 7  14  o 11.440  0.6832 0.1573000      1.366000  
1 1 1 21 7  15  o 16.760  0.6211 1.956000       1.242000  
1 1 1 21 7  16  o 9.5720  0.9187 0.6408000      1.837000  
1 1 1 21 7  17  o 15.660  0.6450 3.325000       1.290000  
1 1 1 21 7  18  o 11.010  0.7689 -2.992000      1.538000  
1 1 1 21 7  19  o 16.400  0.6646 0.6593000      1.329000  
1 1 1 21 7  20  o 14.830  0.6815 0.3913000      1.363000  
1 1 1 21 7  21  o 5.8060  1.2410 -2.497000      2.483000  
1 1 1 21 7  22  o 4.3430  1.2120 -0.4706000     2.425000  
1 1 1 21 7  23  o 5.5970  1.1630 1.719000       2.325000  
1 1 1 21 7  24  o 16.830  0.6973 2.790000       1.395000  
1 1 1 21 7  25  o 12.640  0.7715 0.3568000      1.543000  
1 1 1 21 7  26  o 11.690  0.8059 0.2670000E-01  1.612000  
1 1 1 21 7  27  o 4.8450  1.2690 -2.625000      2.538000  
1 1 1 21 7  28  o 4.1400  1.2490 -1.765000      2.499000  
1 1 1 21 7  29  o 16.480  0.7622 1.506000       1.524000  
1 1 1 21 7  30  o 10.980  1.0540 0.5690000      2.109000  
1 1 1 21 7  31  o 7.0690  1.3280 1.837000       2.657000  
1 1 1 21 7  32  o 14.390  0.9169 -0.7224000E-01 1.834000  
1 1 1 21 7  33  f 6.8280  1.3190 2.264000       2.638000  
1 1 1 21 7  34  o 12.780  1.0500 1.998000       2.100000  
1 1 1 21 7  35  o 6.9480  1.2990 3.054000       2.598000  
1 1 1 21 7  36  f 4.1810  1.2880 -0.4463000     2.575000  
1 1 1 21 7  37  o 4.7910  1.4200 -2.176000      2.839000  
1 1 1 21 7  38  o 6.2750  1.5510 -1.161000      3.103000  
1 1 1 21 7  39  f 8.9830  1.4400 2.736000       2.881000  
1 1 1 21 7  40  o 6.2730  1.4730 2.236000       2.946000  
1 1 1 21 7  41  o 8.6380  0.9746 -0.9013000     1.949000  
1 1 1 21 7  42  o 3.6480  1.0800 1.362000       2.161000  
1 1 1 21 7  43  o 3.5070  1.0580 0.2567000      2.115000  
1 1 1 21 7  44  o 4.0320  1.0670 -0.5771000     2.133000  
1 1 1 21 7  45  o 3.5530  1.0680 0.4270000E-01  2.137000  
1 1 1 21 7  46  o 5.7140  1.2660 1.963000       2.532000  
1 1 1 21 7  47  o 4.0450  1.1610 -0.2255000     2.323000  
1 1 1 21 7  48  o 4.5630  1.2380 0.3588000      2.476000  
1 1 1 21 7  49  o 6.2100  1.2640 1.899000       2.528000  
1 1 1 21 7  50  o 7.6270  1.1930 2.127000       2.387000  
1 1 1 21 7  51  o 3.3180  1.0690 0.2378000      2.138000  
1 1 1 21 7  52  o 4.8170  1.2800 0.4912000      2.561000  
1 1 1 21 7  53  o 3.1590  1.0750 1.114000       2.149000  
1 1 1 21 8  0   o 10.490  0.8556 -0.000000      0.000000  
1 1 1 21 8  1   o 14.830  0.5198 -0.8359000E-02 1.040000  
1 1 1 21 8  2   o 10.520  0.6206 -0.7602000     1.241000  
1 1 1 21 8  3   o 14.950  0.6447 0.2126000      1.289000  
1 1 1 21 8  4   o 12.020  0.5665 -1.225000      1.133000  
1 1 1 21 8  5   o 9.0300  0.6808 -0.5164000     1.362000  
1 1 1 21 8  6   o 13.680  0.5547 2.368000       1.109000  
1 1 1 21 8  7   o 9.6830  0.5928 -2.006000      1.186000  
1 1 1 21 8  8   o 13.180  0.6967 1.064000       1.393000  
1 1 1 21 8  9   o 11.060  0.8021 2.036000       1.604000  
1 1 1 21 8  10  o 19.630  0.6953 1.146000       1.391000  
1 1 1 21 8  11  o 18.030  0.6891 0.1961000      1.378000  
1 1 1 21 8  12  o 19.950  0.5815 0.4796000      1.163000  
1 1 1 21 8  13  o 12.610  0.6414 -2.870000      1.283000  
1 1 1 21 8  14  o 8.8520  0.8327 -0.9759000     1.665000  
1 1 1 21 8  15  o 7.7150  1.0130 -2.262000      2.027000  
1 1 1 21 8  16  o 17.690  0.6223 1.321000       1.245000  
1 1 1 21 8  17  o 8.7420  0.9327 -4.201000      1.865000  
1 1 1 21 8  18  o 22.110  0.6338 2.353000       1.268000  
1 1 1 21 8  19  o 10.340  0.8666 -6.062000      1.733000  
1 1 1 21 8  20  o 5.9800  1.2250 0.8628000      2.450000  
1 1 1 21 8  21  o 4.5130  1.1520 1.102000       2.303000  
1 1 1 21 8  22  o 7.9980  1.1600 1.541000       2.320000  
1 1 1 21 8  23  f 6.9690  1.1910 2.453000       2.381000  
1 1 1 21 8  24  o 12.600  0.8650 1.841000       1.730000  
1 1 1 21 8  25  o 7.4430  1.1890 -2.134000      2.378000  
1 1 1 21 8  26  o 6.2940  1.2550 0.7352000      2.510000  
1 1 1 21 8  27  o 5.1470  1.2870 -0.3092000     2.573000  
1 1 1 21 8  28  o 12.970  0.8734 0.7905000      1.747000  
1 1 1 21 8  29  o 5.8960  1.4000 -2.807000      2.800000  
1 1 1 21 8  30  o 11.180  1.0750 0.8947000      2.149000  
1 1 1 21 8  31  o 6.2240  1.2780 1.893000       2.555000  
1 1 1 21 8  32  o 7.0850  1.2300 3.303000       2.459000  
1 1 1 21 8  33  o 17.480  0.8434 -1.485000      1.687000  
1 1 1 21 8  34  o 6.7540  1.3760 2.555000       2.752000  
1 1 1 21 8  35  o 16.450  0.9020 -0.6317000     1.804000  
1 1 1 21 8  36  o 11.100  1.2100 -0.1430000     2.420000  
1 1 1 21 8  37  o 13.640  1.1970 4.490000       2.394000  
1 1 1 21 8  38  o 5.8590  1.5060 0.6524000      3.011000  
1 1 1 21 8  39  o 8.4500  1.4750 2.100000       2.950000  
1 1 1 21 8  40  o 5.4940  1.2490 2.005000       2.498000  
1 1 1 21 8  41  o 5.9440  1.0820 -1.528000      2.164000  
1 1 1 21 8  42  o 4.1570  1.1510 0.9182000      2.301000  
1 1 1 21 8  43  o 11.660  0.7708 0.4636000      1.542000  
1 1 1 21 8  44  f 3.0290  1.0130 1.235000       2.026000  
1 1 1 21 8  45  o 3.2840  0.9833 -1.061000      1.967000  
1 1 1 21 8  46  o 6.3350  1.2210 0.2174000E-01  2.442000  
1 1 1 21 8  47  o 3.2030  1.0490 0.6954000      2.097000  
1 1 1 21 8  48  f 7.6380  1.1640 0.1965000      2.329000  
1 1 1 21 8  49  o 3.1180  1.0520 1.467000       2.104000  
1 1 1 21 8  50  o 2.8940  0.9892 0.9953000      1.978000  
1 1 1 21 8  51  o 2.7810  0.9428 0.4132000      1.886000  
1 1 1 21 8  52  o 6.2540  1.3730 0.2584000      2.747000  
1 1 1 21 9  0   o 3.1530  1.7790 0.000000       0.000000  
1 1 1 21 9  1   o 7.1250  0.8729 -0.7837000     1.746000  
1 1 1 21 9  2   o 16.440  0.6999 ?              ?         
1 1 1 21 9  3   o 17.720  0.5259 1.488000       1.052000  
1 1 1 21 9  4   o 18.720  0.5480 -0.9315000     1.096000  
1 1 1 21 9  5   o 13.940  0.6575 ?              ?         
1 1 1 21 9  6   o 14.610  0.8808 0.1059000      1.762000  
1 1 1 21 9  7   o 10.220  0.6433 -0.1067000     1.287000  
1 1 1 21 9  8   o 12.110  0.5835 0.5243000      1.167000  
1 1 1 21 9  9   o 16.170  0.5382 1.391000       1.076000  
1 1 1 21 9  10  o 11.180  0.6698 -5.284000      1.340000  
1 1 1 21 9  11  o 9.3860  0.7688 -2.816000      1.538000  
1 1 1 21 9  12  o 10.710  1.3600 0.3455000      2.719000  
1 1 1 21 9  13  o 9.3200  0.8169 -1.184000      1.634000  
1 1 1 21 9  14  o 9.1360  0.8464 -2.003000      1.693000  
1 1 1 21 9  15  o 6.5050  1.0830 2.149000       2.167000  
1 1 1 21 9  16  o 11.280  0.7902 1.321000       1.580000  
1 1 1 21 9  17  f 12.770  0.7367 -0.9026000     1.473000  
1 1 1 21 9  18  o 6.1600  1.2020 -3.428000      2.403000  
1 1 1 21 9  19  o 4.2230  1.2240 -1.004000      2.448000  
1 1 1 21 9  20  o 7.6820  1.1210 4.565000       2.242000  
1 1 1 21 9  21  o 15.980  0.6971 -1.396000      1.394000  
1 1 1 21 9  22  o 12.260  0.8402 1.079000       1.680000  
1 1 1 21 9  23  o 10.740  0.8866 -1.998000      1.773000  
1 1 1 21 9  24  f 5.4020  1.3380 -0.8521000     2.675000  
1 1 1 21 9  25  o 4.9050  1.3250 -1.642000      2.651000  
1 1 1 21 9  26  o 5.9080  1.2410 1.395000       2.482000  
1 1 1 21 9  27  o 8.6800  1.2020 0.7550000      2.405000  
1 1 1 21 9  28  o 8.1580  1.2790 -0.3595000     2.557000  
1 1 1 21 9  29  o 5.6190  1.3610 -0.4021000     2.722000  
1 1 1 21 9  30  o 6.0240  1.3620 0.2912000      2.723000  
1 1 1 21 9  31  o 8.7660  1.2960 3.399000       2.592000  
1 1 1 21 9  32  o 6.0430  1.0420 4.837000       2.084000  
1 1 1 21 9  33  o 8.8650  1.2850 -1.405000      2.570000  
1 1 1 21 9  34  o 6.8540  1.3450 1.777000       2.690000  
1 1 1 21 9  35  o 8.4080  1.3440 1.929000       2.688000  
1 1 1 21 9  36  o 11.060  1.2780 2.291000       2.556000  
1 1 1 21 9  37  o 7.8850  0.8967 9.578000       1.793000  
1 1 1 21 9  38  o 7.4880  1.0160 7.370000       2.032000  
1 1 1 21 9  39  o 14.330  0.7780 1.788000       1.556000  
1 1 1 21 9  40  o 7.3620  1.3300 -0.1867000     2.660000  
1 1 1 21 9  41  o 8.4510  0.9687 0.5900000E-01  1.937000  
1 1 1 21 9  42  o 4.2410  1.1670 3.014000       2.334000  
1 1 1 21 9  43  o 3.6900  1.1050 0.1986000      2.209000  
1 1 1 21 9  44  o 4.2980  1.1940 0.4188000      2.388000  
1 1 1 21 9  45  o 5.8610  1.2180 -0.5271000     2.436000  
1 1 1 21 9  46  f 3.3060  1.0720 0.6971000      2.143000  
1 1 1 21 9  47  o 4.4630  1.2230 0.2435000      2.447000  
1 1 1 21 9  48  o 3.6120  1.1090 0.1872000      2.218000  
1 1 1 21 9  49  f 3.1830  1.0440 0.5849000      2.087000  
1 1 1 21 9  50  o 3.4910  1.1400 1.085000       2.280000  
1 1 1 21 10 0   o 7.5300  1.3350 0.000000       0.000000  
1 1 1 21 10 1   o 10.320  0.9872 ?              ?         
1 1 1 21 10 2   o 17.550  0.7742 ?              ?         
1 1 1 21 10 3   o 10.330  0.8608 ?              ?         
1 1 1 21 10 4   o 11.870  0.6316 1.162000       1.263000  
1 1 1 21 10 5   o 9.1540  1.2100 2.368000       2.421000  
1 1 1 21 10 6   o 6.8280  0.9492 -2.035000      1.898000  
1 1 1 21 10 7   o 12.430  1.0680 -0.6444000E-01 2.136000  
1 1 1 21 10 8   o 13.840  0.5478 0.2412000      1.096000  
1 1 1 21 10 9   o 12.840  0.5862 -0.2463000     1.172000  
1 1 1 21 10 10  o 19.100  0.8430 -1.664000      1.686000  
1 1 1 21 10 11  o 16.740  0.5327 0.5522000      1.065000  
1 1 1 21 10 12  o 9.8790  0.7701 -3.860000      1.540000  
1 1 1 21 10 13  o 4.4900  1.2390 0.8970000      2.478000  
1 1 1 21 10 14  f 7.7270  1.0070 0.6344000E-01  2.013000  
1 1 1 21 10 15  o 10.590  0.8109 1.821000       1.622000  
1 1 1 21 10 16  o 5.4420  1.4170 0.4155000      2.834000  
1 1 1 21 10 17  f 5.9600  1.2100 -0.1684000     2.421000  
1 1 1 21 10 18  f 9.9980  1.0270 2.726000       2.053000  
1 1 1 21 10 19  o 15.050  0.6957 -2.453000      1.391000  
1 1 1 21 10 20  o 9.5100  0.9752 0.1094000      1.950000  
1 1 1 21 10 21  o 12.610  0.8512 2.069000       1.702000  
1 1 1 21 10 22  o 5.8240  1.3010 -2.939000      2.602000  
1 1 1 21 10 23  o 8.2340  1.1980 2.417000       2.396000  
1 1 1 21 10 24  o 5.5450  1.3310 -1.299000      2.662000  
1 1 1 21 10 25  o 7.9530  1.2130 0.4594000E-01  2.426000  
1 1 1 21 10 26  o 4.9780  1.3270 -0.3625000     2.655000  
1 1 1 21 10 27  o 6.7100  1.3000 0.5834000      2.601000  
1 1 1 21 10 28  f 4.5370  1.2380 0.8258000      2.476000  
1 1 1 21 10 29  o 8.3470  1.2940 0.4262000      2.587000  
1 1 1 21 10 30  o 12.480  1.0930 2.343000       2.186000  
1 1 1 21 10 31  o 5.5480  1.3970 -0.1796000     2.793000  
1 1 1 21 10 32  o 5.0130  1.4150 -1.783000      2.830000  
1 1 1 21 10 33  o 6.0760  1.4380 -0.4195000     2.876000  
1 1 1 21 10 34  o 3.6590  1.0130 1.351000       2.025000  
1 1 1 21 10 35  o 5.3130  1.0280 1.959000       2.055000  
1 1 1 21 10 36  o 3.7110  1.0450 0.7262000      2.091000  
1 1 1 21 10 37  o 3.3950  1.0870 -0.7202000     2.173000  
1 1 1 21 10 38  o 5.0900  1.2590 0.2049000      2.519000  
1 1 1 21 10 39  o 5.3420  1.1770 2.655000       2.353000  
1 1 1 21 10 40  f 6.5860  1.3420 0.2178000      2.684000  
1 1 1 21 10 41  o 3.5220  1.0930 0.4366000      2.187000  
1 1 1 21 10 42  o 4.7440  1.2470 -0.4125000     2.495000  
1 1 1 21 10 43  o 4.9190  1.3020 0.9206000      2.604000  
1 1 1 21 10 44  o 3.5330  1.1410 1.380000       2.281000  
1 1 1 21 10 45  o 2.9520  1.0130 0.7788000      2.026000  
1 1 1 21 10 46  o 6.9040  1.2240 -2.454000      2.448000  
1 1 1 21 10 47  o 5.0360  1.3300 0.3739000      2.660000  
1 1 1 21 10 48  o 5.0110  1.3360 0.3325000      2.673000  
1 1 1 21 10 49  o 4.5770  1.6960 ?              ?         
1 1 1 21 11 0   f 10.910  0.9063 0.000000       0.000000  
1 1 1 21 11 1   o 10.220  0.6788 -0.2903000     1.358000  
1 1 1 21 11 2   o 9.0850  0.7569 -0.4323000     1.514000  
1 1 1 21 11 3   o 8.3060  0.8615 1.026000       1.723000  
1 1 1 21 11 4   o 11.560  0.6548 0.9602000      1.310000  
1 1 1 21 11 5   o 10.050  1.1970 ?              ?         
1 1 1 21 11 7   o 24.550  0.5557 2.008000       1.111000  
1 1 1 21 11 8   o 14.710  1.0710 2.969000       2.142000  
1 1 1 21 11 9   o 18.270  0.5303 -0.8656000     1.061000  
1 1 1 21 11 10  o 6.9640  1.2170 3.476000       2.434000  
1 1 1 21 11 11  o 7.1780  0.8917 -4.112000      1.783000  
1 1 1 21 11 12  o 15.610  1.0450 2.072000       2.091000  
1 1 1 21 11 13  o 12.590  0.6111 -2.271000      1.222000  
1 1 1 21 11 14  o 6.3290  1.4550 0.5961000      2.910000  
1 1 1 21 11 15  o 6.1690  1.1500 -3.592000      2.299000  
1 1 1 21 11 16  o 6.3390  1.1350 2.253000       2.270000  
1 1 1 21 11 17  f 16.820  0.6507 1.850000       1.301000  
1 1 1 21 11 18  o 9.7650  0.9436 -1.274000      1.887000  
1 1 1 21 11 19  o 15.200  0.7249 1.928000       1.450000  
1 1 1 21 11 20  o 15.320  0.6840 -3.536000      1.368000  
1 1 1 21 11 21  f 9.4700  1.0390 0.6329000      2.079000  
1 1 1 21 11 22  o 8.2020  1.1550 1.264000       2.310000  
1 1 1 21 11 23  o 4.7240  1.5050 -1.503000      3.011000  
1 1 1 21 11 24  o 4.5280  1.2640 -1.169000      2.529000  
1 1 1 21 11 25  o 6.3470  1.3150 -0.8742000     2.630000  
1 1 1 21 11 26  o 3.2820  1.0150 0.2072000      2.031000  
1 1 1 21 11 27  o 6.3110  0.9578 5.179000       1.916000  
1 1 1 21 11 28  o 7.0270  1.0420 0.7101000      2.084000  
1 1 1 21 11 29  o 6.6120  1.2860 1.760000       2.571000  
1 1 1 21 11 30  o 4.8360  1.1570 -0.5654000     2.313000  
1 1 1 21 11 31  o 7.0260  1.0390 2.027000       2.078000  
1 1 1 21 11 32  o 8.7640  0.9135 2.426000       1.827000  
1 1 1 21 11 33  o 8.4150  0.9197 1.789000       1.839000  
1 1 1 21 11 34  o 3.9960  1.0800 1.820000       2.160000  
1 1 1 21 11 35  o 3.7550  1.0990 -0.3211000     2.197000  
1 1 1 21 11 36  o 4.2670  1.3180 -1.316000      2.637000  
1 1 1 21 11 37  o 4.2930  1.3030 -0.3890000     2.606000  
1 1 1 21 11 38  o 7.2710  1.3690 1.622000       2.738000  
1 1 1 21 11 39  f 5.5660  1.3830 0.6841000      2.765000  
1 1 1 21 11 40  o 4.7210  1.3670 -0.3584000     2.734000  
1 1 1 21 11 41  o 6.7250  1.1640 -1.461000      2.328000  
1 1 1 21 11 42  o 6.5040  1.1580 -0.2918000     2.316000  
1 1 1 21 11 43  o 6.2030  1.3230 0.2059000      2.645000  
1 1 1 21 11 44  o 8.2630  1.2070 0.1396000      2.413000  
1 1 1 21 11 45  o 4.3850  1.2150 -0.7228000     2.431000  
1 1 1 21 11 46  o 3.3580  1.1030 0.4877000      2.206000  
1 1 1 21 11 47  o 4.1510  1.6740 ?              ?         
1 1 1 21 12 0   f 17.370  1.1090 -0.000000      0.000000  
1 1 1 21 12 1   o 18.510  0.5582 -0.5367000E-02 1.116000  
1 1 1 21 12 2   o 13.290  0.8518 ?              ?         
1 1 1 21 12 3   o 9.7740  0.9839 ?              ?         
1 1 1 21 12 4   o 3.2110  1.3260 ?              ?         
1 1 1 21 12 5   o 6.6300  0.9845 -0.9714000     1.969000  
1 1 1 21 12 6   f 15.000  0.5601 0.7321000      1.120000  
1 1 1 21 12 7   o 12.830  0.6428 -1.674000      1.286000  
1 1 1 21 12 8   o 5.5780  1.0690 -2.253000      2.137000  
1 1 1 21 12 9   f 5.0250  1.0930 -0.1992000     2.186000  
1 1 1 21 12 10  o 6.1910  1.0390 0.3705000      2.079000  
1 1 1 21 12 11  o 11.920  0.9092 1.574000       1.818000  
1 1 1 21 12 12  o 8.4640  0.7993 -0.3200000     1.599000  
1 1 1 21 12 13  o 4.1900  1.1850 -0.3450000     2.371000  
1 1 1 21 12 14  o 9.1960  1.1610 2.721000       2.323000  
1 1 1 21 12 15  o 9.8730  0.7778 -1.042000      1.556000  
1 1 1 21 12 16  o 7.3530  1.2860 0.4062000      2.571000  
1 1 1 21 12 17  o 14.100  0.8490 1.893000       1.698000  
1 1 1 21 12 18  f 10.110  0.7985 -2.477000      1.597000  
1 1 1 21 12 19  o 6.9000  1.2650 2.246000       2.530000  
1 1 1 21 12 20  o 17.280  0.5997 2.296000       1.199000  
1 1 1 21 12 21  o 10.830  0.7796 1.299000       1.559000  
1 1 1 21 12 22  o 4.2550  1.1910 -0.8165000     2.383000  
1 1 1 21 12 23  o 4.2880  1.1900 -0.7125000     2.379000  
1 1 1 21 12 24  o 3.2200  1.0380 -0.1175000     2.076000  
1 1 1 21 12 25  o 3.1770  1.0280 -0.4432000     2.057000  
1 1 1 21 12 26  o 4.1920  1.2390 -0.9328000E-01 2.479000  
1 1 1 21 12 27  o 3.3410  1.0610 -0.5248000     2.122000  
1 1 1 21 12 28  o 4.1760  1.1810 -1.233000      2.362000  
1 1 1 21 12 29  o 5.1240  1.1920 1.097000       2.383000  
1 1 1 21 12 30  o 8.0500  0.9754 -1.924000      1.951000  
1 1 1 21 12 31  o 5.2530  1.1950 0.2335000      2.390000  
1 1 1 21 12 32  o 11.070  0.7604 0.6963000      1.521000  
1 1 1 21 12 33  o 6.3170  1.2110 0.9369000      2.422000  
1 1 1 21 12 34  o 10.490  0.7940 1.487000       1.588000  
1 1 1 21 12 35  o 6.0420  1.2040 1.008000       2.409000  
1 1 1 21 12 36  o 7.0070  1.1190 0.4723000      2.237000  
1 1 1 21 12 37  o 5.1350  1.3850 0.4802000      2.771000  
1 1 1 21 12 38  o 4.7650  1.3000 1.310000       2.601000  
1 1 1 21 12 39  o 5.9510  1.4400 0.5752000E-01  2.879000  
1 1 1 21 12 40  o 4.4650  1.2250 2.146000       2.451000  
1 1 1 21 12 41  o 4.6540  1.2310 -0.1236000     2.462000  
1 1 1 21 12 42  o 3.0390  1.0000 -0.4638000     2.000000  
1 1 1 21 12 43  o 8.1580  1.1190 -0.2090000     2.239000  
1 1 1 21 12 44  o 3.9950  1.2020 -1.328000      2.404000  
1 1 1 21 13 0   o 12.700  0.8766 0.000000       0.000000  
1 1 1 21 13 1   o 12.770  0.6093 -0.6573000     1.219000  
1 1 1 21 13 2   o 9.7070  0.9984 2.377000       1.997000  
1 1 1 21 13 3   o 12.320  0.5961 -0.5040000     1.192000  
1 1 1 21 13 4   o 12.910  0.5804 0.4704000      1.161000  
1 1 1 21 13 5   o 4.6350  1.0560 2.290000       2.112000  
1 1 1 21 13 6   o 7.6200  0.9069 0.9203000E-01  1.814000  
1 1 1 21 13 7   o 6.2990  1.0460 -0.3292000     2.093000  
1 1 1 21 13 8   o 7.0930  1.0030 0.1889000      2.007000  
1 1 1 21 13 9   o 5.9630  1.1000 -0.7951000     2.201000  
1 1 1 21 13 10  o 8.5960  0.8655 1.304000       1.731000  
1 1 1 21 13 11  f 8.3700  0.8434 -0.6317000     1.687000  
1 1 1 21 13 12  o 14.100  0.6205 3.331000       1.241000  
1 1 1 21 13 13  o 13.000  0.9334 2.816000       1.867000  
1 1 1 21 13 14  o 8.4460  0.9012 -0.4995000     1.802000  
1 1 1 21 13 15  o 9.1860  0.8780 1.167000       1.756000  
1 1 1 21 13 16  o 11.750  0.7060 1.862000       1.412000  
1 1 1 21 13 17  f 11.570  0.7484 0.4174000E-01  1.497000  
1 1 1 21 13 18  o 10.220  0.9210 3.493000       1.842000  
1 1 1 21 13 19  o 8.0510  1.0730 -0.7078000     2.146000  
1 1 1 21 13 20  o 4.2310  1.2140 -1.486000      2.428000  
1 1 1 21 13 21  o 4.9120  1.2710 -0.8588000     2.541000  
1 1 1 21 13 22  o 5.0890  1.2770 -0.5966000     2.553000  
1 1 1 21 13 23  o 5.5520  1.3610 -0.1526000     2.721000  
1 1 1 21 13 24  o 3.2720  1.0570 0.8557000E-01  2.114000  
1 1 1 21 13 25  o 7.9590  1.0930 1.043000       2.186000  
1 1 1 21 13 26  o 4.7220  1.2630 -0.1822000     2.525000  
1 1 1 21 13 27  f 7.4820  1.1450 2.223000       2.290000  
1 1 1 21 13 28  o 4.6160  1.2580 -0.8771000     2.515000  
1 1 1 21 13 29  o 3.4630  1.1020 -0.4512000     2.205000  
1 1 1 21 13 30  o 4.3950  1.2370 -0.9761000     2.475000  
1 1 1 21 13 31  o 3.6880  1.1180 0.7115000      2.236000  
1 1 1 21 13 32  o 5.5620  1.2640 0.6097000      2.528000  
1 1 1 21 13 33  o 7.0690  1.1760 -1.600000      2.353000  
1 1 1 21 13 34  o 5.1660  1.2680 -0.5011000     2.535000  
1 1 1 21 13 35  o 6.9460  1.1780 0.2432000      2.356000  
1 1 1 21 13 36  o 8.9710  0.9477 1.045000       1.895000  
1 1 1 21 13 37  o 3.2690  1.0970 -0.2062000     2.193000  
1 1 1 21 13 38  o 3.4860  1.1680 -0.2724000     2.337000  
1 1 1 21 13 39  o 3.8390  1.2210 -0.3931000     2.443000  
1 1 1 21 13 40  o 5.5820  1.4180 -0.8916000     2.836000  
1 1 1 21 13 41  o 3.5260  1.2070 -0.2402000     2.414000  
1 1 1 21 13 42  o 3.9320  1.2900 0.8825000      2.579000  
1 1 1 21 14 0   o 19.940  0.7863 0.000000       0.000000  
1 1 1 21 14 1   o 7.4960  1.0620 4.825000       2.124000  
1 1 1 21 14 2   o 10.930  0.6592 -1.845000      1.318000  
1 1 1 21 14 3   o 9.5270  0.7536 -0.8400000     1.507000  
1 1 1 21 14 4   o 8.4270  0.8475 -0.8013000E-01 1.695000  
1 1 1 21 14 5   o 8.3510  0.8669 0.6879000      1.734000  
1 1 1 21 14 6   o 10.950  0.6979 1.233000       1.396000  
1 1 1 21 14 7   o 11.270  0.7221 1.969000       1.444000  
1 1 1 21 14 8   o 8.5220  0.8727 -0.4255000     1.745000  
1 1 1 21 14 9   o 13.770  0.5936 0.5403000      1.187000  
1 1 1 21 14 10  o 12.530  0.6817 1.893000       1.363000  
1 1 1 21 14 11  o 13.280  0.6353 0.6800000      1.271000  
1 1 1 21 14 12  o 8.1320  0.9936 1.434000       1.987000  
1 1 1 21 14 13  o 19.580  0.6797 -0.5361000     1.359000  
1 1 1 21 14 14  o 15.590  0.6300 3.679000       1.260000  
1 1 1 21 14 15  o 12.520  0.6858 0.7233000      1.372000  
1 1 1 21 14 16  o 6.4420  1.1240 0.4184000      2.247000  
1 1 1 21 14 17  o 10.910  0.7518 0.6280000      1.504000  
1 1 1 21 14 18  o 6.0760  1.2250 1.344000       2.450000  
1 1 1 21 14 19  o 6.1310  1.2580 0.3003000      2.515000  
1 1 1 21 14 20  o 6.8370  1.3550 -1.596000      2.709000  
1 1 1 21 14 21  o 4.6210  1.2460 -1.709000      2.491000  
1 1 1 21 14 22  o 4.9990  1.2730 -0.9162000     2.547000  
1 1 1 21 14 23  o 6.1570  1.2710 -0.4749000     2.542000  
1 1 1 21 14 24  o 3.9320  1.1870 -1.684000      2.375000  
1 1 1 21 14 25  o 5.9140  1.2690 0.7912000      2.537000  
1 1 1 21 14 26  o 12.300  0.8019 1.244000       1.604000  
1 1 1 21 14 27  f 7.0330  1.1970 2.969000       2.394000  
1 1 1 21 14 28  o 6.9150  1.2260 -1.800000      2.453000  
1 1 1 21 14 29  o 3.7480  1.1710 -0.4994000     2.342000  
1 1 1 21 14 30  o 6.6550  1.2830 -0.8568000     2.566000  
1 1 1 21 14 31  f 4.3260  1.2510 -0.9137000     2.501000  
1 1 1 21 14 32  o 7.0490  1.2230 0.4464000      2.447000  
1 1 1 21 14 33  o 3.8880  1.1680 0.6383000      2.336000  
1 1 1 21 14 34  o 3.4260  1.1020 -0.3848000     2.204000  
1 1 1 21 14 35  o 12.420  0.7383 0.6827000      1.477000  
1 1 1 21 14 36  o 4.7030  1.2440 0.7283000      2.488000  
1 1 1 21 14 37  o 6.4310  1.3700 1.769000       2.740000  
1 1 1 21 14 38  o 4.3140  1.3580 -0.6472000     2.716000  
1 1 1 21 14 39  o 3.8450  1.8120 ?              ?         
1 1 1 21 14 40  o 3.3150  1.6550 ?              ?         
1 1 1 21 15 0   o 11.080  0.8439 0.000000       0.000000  
1 1 1 21 15 1   o 8.6360  0.8898 -4.321000      1.780000  
1 1 1 21 15 2   o 15.380  0.5603 2.070000       1.121000  
1 1 1 21 15 3   o 11.470  0.7454 -4.136000      1.491000  
1 1 1 21 15 4   o 22.570  0.5341 1.334000       1.068000  
1 1 1 21 15 5   o 9.9300  1.0870 3.052000       2.174000  
1 1 1 21 15 6   o 12.410  0.6323 -1.167000      1.265000  
1 1 1 21 15 7   o 5.3570  1.0460 3.199000       2.093000  
1 1 1 21 15 8   o 5.1830  1.2410 0.5541000      2.483000  
1 1 1 21 15 9   o 9.8250  0.8102 1.276000       1.620000  
1 1 1 21 15 10  o 5.8720  1.1170 1.044000       2.233000  
1 1 1 21 15 11  o 10.210  0.7707 0.1889000      1.541000  
1 1 1 21 15 12  o 9.4800  0.8402 -0.4529000     1.680000  
1 1 1 21 15 13  f 13.710  0.6414 2.493000       1.283000  
1 1 1 21 15 14  o 9.0310  0.8735 -1.444000      1.747000  
1 1 1 21 15 15  f 14.960  0.6233 1.893000       1.247000  
1 1 1 21 15 16  o 6.6400  1.1270 -0.2500000     2.254000  
1 1 1 21 15 17  o 8.3110  0.9457 0.1727000      1.891000  
1 1 1 21 15 18  o 5.4830  1.2090 0.2353000      2.419000  
1 1 1 21 15 19  o 3.2700  1.0470 -1.114000      2.095000  
1 1 1 21 15 20  o 4.3470  1.2220 0.2539000      2.444000  
1 1 1 21 15 21  o 6.0530  1.2390 2.047000       2.478000  
1 1 1 21 15 22  o 9.2490  1.0110 1.427000       2.023000  
1 1 1 21 15 23  o 6.8500  1.1710 3.212000       2.342000  
1 1 1 21 15 24  o 6.2340  1.2730 0.6984000      2.546000  
1 1 1 21 15 25  o 4.4320  1.2570 -0.8711000     2.514000  
1 1 1 21 15 26  o 5.9320  1.2920 -1.715000      2.584000  
1 1 1 21 15 27  o 5.1490  1.3030 -1.522000      2.605000  
1 1 1 21 15 28  o 11.780  0.8056 -0.3716000     1.611000  
1 1 1 21 15 29  o 5.3360  1.2880 0.2932000      2.576000  
1 1 1 21 15 30  o 10.890  0.8658 0.5702000      1.732000  
1 1 1 21 15 31  o 6.2350  1.2560 -1.530000      2.513000  
1 1 1 21 15 32  o 5.3720  1.2640 -1.080000      2.528000  
1 1 1 21 15 33  o 6.3330  1.2040 2.760000       2.407000  
1 1 1 21 15 34  o 6.5210  1.2290 -1.004000      2.458000  
1 1 1 21 15 35  o 3.6210  1.2110 -0.9222000     2.421000  
1 1 1 21 15 36  o 3.4260  1.6740 ?              ?         
1 1 1 21 16 0   o 5.9410  1.9500 -0.000000      0.000000  
1 1 1 21 16 1   o 6.8850  1.0110 -3.057000      2.021000  
1 1 1 21 16 2   o 14.370  0.5224 1.364000       1.045000  
1 1 1 21 16 3   o 16.460  0.5564 1.041000       1.113000  
1 1 1 21 16 4   o 9.8700  0.7637 -1.287000      1.527000  
1 1 1 21 16 5   f 7.1940  1.1490 3.326000       2.299000  
1 1 1 21 16 6   o 6.1760  1.1170 -1.874000      2.235000  
1 1 1 21 16 7   o 8.5180  0.9302 2.811000       1.860000  
1 1 1 21 16 8   o 10.590  0.7271 0.6085000      1.454000  
1 1 1 21 16 9   o 7.6640  0.9670 -1.801000      1.934000  
1 1 1 21 16 10  o 11.250  0.7242 1.474000       1.448000  
1 1 1 21 16 11  o 6.2350  1.1060 3.470000       2.213000  
1 1 1 21 16 12  o 5.3450  1.1760 -2.266000      2.352000  
1 1 1 21 16 13  o 6.3760  1.1120 0.1347000      2.224000  
1 1 1 21 16 14  o 7.2610  1.0530 2.109000       2.106000  
1 1 1 21 16 15  o 8.2860  1.0860 3.819000       2.172000  
1 1 1 21 16 16  o 6.8010  1.0770 1.955000       2.154000  
1 1 1 21 16 17  o 4.0670  1.1310 0.7349000E-01  2.261000  
1 1 1 21 16 18  o 4.5750  1.1230 1.280000       2.247000  
1 1 1 21 16 19  o 11.860  1.0820 2.275000       2.164000  
1 1 1 21 16 20  o 8.1750  1.0660 1.914000       2.132000  
1 1 1 21 16 21  o 5.6210  1.2570 0.8879000      2.515000  
1 1 1 21 16 22  o 4.1430  1.0780 2.704000       2.156000  
1 1 1 21 16 23  o 14.340  0.8635 0.9977000      1.727000  
1 1 1 21 16 24  o 8.1900  1.0690 0.3942000      2.138000  
1 1 1 21 16 25  o 4.9450  1.2500 0.9418000      2.501000  
1 1 1 21 16 26  o 6.8100  1.3100 2.883000       2.619000  
1 1 1 21 16 27  o 4.4810  1.2710 -0.3822000     2.542000  
1 1 1 21 16 28  o 4.0730  1.1710 -2.274000      2.342000  
1 1 1 21 16 29  o 6.4750  1.2220 2.270000       2.444000  
1 1 1 21 16 30  o 3.5050  1.6030 ?              ?         
1 1 1 21 16 31  o 3.4420  1.7360 ?              ?         
1 1 1 21 17 0   o 10.060  0.9603 0.000000       0.000000  
1 1 1 21 17 1   o 12.070  0.5891 -0.3802000     1.178000  
1 1 1 21 17 2   o 8.6360  0.7802 1.288000       1.560000  
1 1 1 21 17 3   o 5.8740  1.0610 0.4240000      2.122000  
1 1 1 21 17 4   o 6.0570  1.0620 1.227000       2.124000  
1 1 1 21 17 5   o 10.440  0.7531 0.1021000      1.506000  
1 1 1 21 17 6   o 13.610  0.6212 2.059000       1.242000  
1 1 1 21 17 7   o 8.4190  0.9178 -0.3339000     1.836000  
1 1 1 21 17 8   o 7.1320  1.1850 1.584000       2.369000  
1 1 1 21 17 9   o 5.7270  1.1510 0.6250000      2.301000  
1 1 1 21 17 10  o 3.6600  1.0860 -0.2592000     2.172000  
1 1 1 21 17 11  o 3.8090  1.1000 0.2373000      2.201000  
1 1 1 21 17 12  o 3.5920  1.1340 -0.8291000     2.269000  
1 1 1 21 17 13  o 3.4390  1.0550 -0.1353000     2.110000  
1 1 1 21 17 14  o 5.9330  1.0370 3.115000       2.075000  
1 1 1 21 17 15  o 6.9170  1.0670 0.5765000      2.134000  
1 1 1 21 17 16  o 4.3680  1.1690 -2.207000      2.338000  
1 1 1 21 17 17  o 6.7660  1.1560 2.499000       2.312000  
1 1 1 21 17 18  f 7.0180  1.0680 1.706000       2.136000  
1 1 1 21 17 19  o 6.0930  1.1490 -0.4368000     2.297000  
1 1 1 21 17 20  o 6.7430  1.0540 3.557000       2.108000  
1 1 1 21 17 21  o 4.8110  1.1970 0.7390000      2.394000  
1 1 1 21 17 22  o 3.3450  1.0710 1.065000       2.143000  
1 1 1 21 17 23  o 9.2280  1.0510 3.643000       2.103000  
1 1 1 21 17 24  o 4.7160  1.8540 ?              ?         
1 1 1 21 17 25  f 4.4770  1.9760 ?              ?         
1 1 1 21 18 0   o 10.660  0.9240 -0.000000      0.000000  
1 1 1 21 18 1   o 8.5370  0.8978 1.784000       1.796000  
1 1 1 21 18 2   o 9.7130  0.7095 -1.371000      1.419000  
1 1 1 21 18 3   o 6.9610  1.0240 1.939000       2.048000  
1 1 1 21 18 4   o 9.8290  0.6930 -0.7819000     1.386000  
1 1 1 21 18 5   o 6.7920  0.9751 -0.2330000     1.950000  
1 1 1 21 18 6   o 5.1210  1.2700 -1.313000      2.540000  
1 1 1 21 18 7   o 4.1700  1.1520 -0.2944000     2.305000  
1 1 1 21 18 8   f 5.2540  1.1600 0.3286000      2.319000  
1 1 1 21 18 9   o 7.1140  1.0830 4.210000       2.166000  
1 1 1 21 18 10  o 9.8480  0.9113 1.238000       1.823000  
1 1 1 21 18 11  o 7.0300  1.0270 2.774000       2.055000  
1 1 1 21 18 12  o 3.9910  1.1270 0.1144000      2.255000  
1 1 1 21 18 13  o 6.9330  1.2140 0.7387000      2.427000  
1 1 1 21 18 14  o 9.9810  1.0100 2.537000       2.021000  
1 1 1 21 18 15  o 6.2530  1.5650 2.940000       3.131000  
1 1 1 21 18 16  o 7.5900  2.5450 ?              ?         
1 1 1 21 18 17  o 3.1720  1.5880 ?              ?         
1 1 1 21 18 18  o 3.4980  1.7230 ?              ?         
1 1 1 22 0  0   o 16.790  0.8490 0.000000       0.000000  
1 1 1 22 0  1   o 11.010  0.6073 -0.000000      0.000000  
1 1 1 22 0  2   o 18.430  0.6200 0.000000       0.000000  
1 1 1 22 0  4   o 7.8910  0.7666 -0.000000      0.000000  
1 1 1 22 0  5   o 5.1180  1.2680 -0.000000      0.000000  
1 1 1 22 0  6   o 2.6410  1.6390 -0.000000      0.000000  
1 1 1 22 0  7   o 8.9060  1.1600 0.000000       0.000000  
1 1 1 22 0  8   o 6.3690  1.7310 0.000000       0.000000  
1 1 1 22 0  9   f 12.910  0.6504 0.000000       0.000000  
1 1 1 22 0  11  o 31.650  1.3640 0.000000       0.000000  
1 1 1 22 0  12  o 9.6530  1.1310 0.000000       0.000000  
1 1 1 22 0  34  o 1.5660  0.9940 0.000000       0.000000  
1 1 1 22 0  35  o 1.1780  0.8231 0.000000       0.000000  
1 1 1 22 0  36  o 2.8820  1.3890 0.000000       0.000000  
1 1 1 22 0  37  o 10.170  0.7150 0.000000       0.000000  
1 1 1 22 0  38  o 10.800  0.7642 0.000000       0.000000  
1 1 1 22 0  39  o 5.4450  1.3650 0.000000       0.000000  
1 1 1 22 0  40  o 10.670  0.8139 0.000000       0.000000  
1 1 1 22 0  41  f 2.6290  1.5860 0.000000       0.000000  
1 1 1 22 0  42  o 6.6900  1.4540 0.000000       0.000000  
1 1 1 22 0  43  o 5.7940  1.8440 0.000000       0.000000  
1 1 1 22 0  44  o 3.9170  1.9950 0.000000       0.000000  
1 1 1 22 0  46  o 2.7170  1.7380 0.000000       0.000000  
1 1 1 22 0  49  o 9.2530  1.5650 0.000000       0.000000  
1 1 1 22 0  50  o 3.5820  2.1040 0.000000       0.000000  
1 1 1 22 0  51  o 6.5960  2.3440 0.000000       0.000000  
1 1 1 22 1  0   o 6.1070  0.9596 0.000000       0.000000  
1 1 1 22 1  1   o 7.7790  0.5181 -0.2323000     1.036000  
1 1 1 22 1  2   o 15.490  0.4135 -0.2084000     0.8270000 
1 1 1 22 1  3   o 12.970  0.4100 -0.1427000     0.8200000 
1 1 1 22 1  4   o 15.450  0.4091 -0.3358000     0.8183000 
1 1 1 22 1  5   o 11.640  0.8864 ?              ?         
1 1 1 22 1  6   f 13.490  0.5123 -0.4230000E-01 1.025000  
1 1 1 22 1  7   o 9.0790  0.7558 1.231000       1.512000  
1 1 1 22 1  8   o 8.9180  0.7485 0.6308000      1.497000  
1 1 1 22 1  9   o 7.1800  0.8603 ?              ?         
1 1 1 22 1  10  o 6.6510  1.0660 1.430000       2.133000  
1 1 1 22 1  11  o 14.960  0.6665 0.8735000      1.333000  
1 1 1 22 1  12  o 12.210  0.7301 2.618000       1.460000  
1 1 1 22 1  13  o 19.380  0.7043 0.8625000      1.409000  
1 1 1 22 1  14  f 6.5330  1.6230 ?              ?         
1 1 1 22 1  15  o 26.100  1.2070 ?              ?         
1 1 1 22 1  17  o 13.480  1.2420 ?              ?         
1 1 1 22 1  18  o 5.0640  2.0460 ?              ?         
1 1 1 22 1  19  o 7.5200  2.1840 ?              ?         
1 1 1 22 1  20  f 7.3950  2.2140 ?              ?         
1 1 1 22 1  21  o 5.0930  2.0870 ?              ?         
1 1 1 22 1  22  o 8.1340  2.0430 ?              ?         
1 1 1 22 1  32  o 10.880  0.7371 ?              ?         
1 1 1 22 1  33  o 7.0900  0.9353 ?              ?         
1 1 1 22 1  34  o 4.6810  1.2410 ?              ?         
1 1 1 22 1  35  o 4.1330  1.3230 ?              ?         
1 1 1 22 1  36  o 2.4730  1.1400 ?              ?         
1 1 1 22 1  37  o 10.880  0.8454 ?              ?         
1 1 1 22 1  38  o 4.6920  0.6578 5.775000       1.316000  
1 1 1 22 1  39  o 6.5400  0.7224 4.985000       1.445000  
1 1 1 22 1  40  o 9.6370  0.5996 0.9219000      1.199000  
1 1 1 22 1  41  o 6.7110  0.8889 -0.4321000     1.778000  
1 1 1 22 1  42  o 8.1710  0.7966 0.2063000      1.593000  
1 1 1 22 1  43  o 4.2560  1.1180 1.174000       2.237000  
1 1 1 22 1  44  o 3.3010  1.0240 -0.7393000     2.047000  
1 1 1 22 1  45  o 4.9130  1.7890 ?              ?         
1 1 1 22 1  46  o 4.9590  1.8270 ?              ?         
1 1 1 22 1  47  o 6.1310  1.8380 ?              ?         
1 1 1 22 1  48  o 4.4080  1.2460 -0.2857000     2.491000  
1 1 1 22 1  49  o 3.5680  1.1420 0.6647000      2.283000  
1 1 1 22 1  50  f 7.4900  1.2850 -0.3881000     2.570000  
1 1 1 22 1  51  o 4.6770  1.3060 0.9221000      2.612000  
1 1 1 22 2  0   o 21.600  0.8513 -0.000000      0.000000  
1 1 1 22 2  1   o 22.130  0.4535 -0.4514000     0.9070000 
1 1 1 22 2  2   o 14.680  0.5519 0.2033000      1.104000  
1 1 1 22 2  3   o 11.800  0.4060 -0.2210000     0.8121000 
1 1 1 22 2  4   o 13.640  0.4193 2.037000       0.8386000 
1 1 1 22 2  5   o 14.150  0.4889 -1.591000      0.9777000 
1 1 1 22 2  6   o 12.360  0.5750 -2.371000      1.150000  
1 1 1 22 2  7   o 9.6070  0.8343 -4.559000      1.669000  
1 1 1 22 2  8   o 10.450  0.7191 1.739000       1.438000  
1 1 1 22 2  9   o 9.2320  0.7774 -1.124000      1.555000  
1 1 1 22 2  10  f 4.4900  0.9838 -3.739000      1.968000  
1 1 1 22 2  11  o 9.2230  0.8776 0.6166000      1.755000  
1 1 1 22 2  12  o 4.2100  1.1740 -0.3946000     2.348000  
1 1 1 22 2  13  o 6.9520  1.1420 2.659000       2.284000  
1 1 1 22 2  14  o 7.1790  1.1550 -0.1266000     2.310000  
1 1 1 22 2  15  f 10.030  0.8741 0.3105000      1.748000  
1 1 1 22 2  16  o 5.4010  1.8190 ?              ?         
1 1 1 22 2  17  o 5.6020  1.9120 ?              ?         
1 1 1 22 2  18  o 4.1080  1.7690 ?              ?         
1 1 1 22 2  20  o 4.1890  1.8470 ?              ?         
1 1 1 22 2  21  o 18.590  1.1900 ?              ?         
1 1 1 22 2  22  o 6.6870  2.2460 ?              ?         
1 1 1 22 2  23  o 13.020  1.5710 ?              ?         
1 1 1 22 2  24  o 11.870  1.7780 ?              ?         
1 1 1 22 2  25  o 4.7910  2.0890 ?              ?         
1 1 1 22 2  26  o 5.7420  2.2480 ?              ?         
1 1 1 22 2  27  o 3.9180  1.8410 ?              ?         
1 1 1 22 2  28  o 8.7000  2.2230 ?              ?         
1 1 1 22 2  29  o 4.6620  1.2410 0.3234000      2.482000  
1 1 1 22 2  30  o 15.600  0.9165 1.294000       1.833000  
1 1 1 22 2  31  o 3.4320  1.3900 ?              ?         
1 1 1 22 2  32  o 7.1580  1.0590 ?              ?         
1 1 1 22 2  33  o 4.7470  1.4330 ?              ?         
1 1 1 22 2  34  f 13.930  0.8276 ?              ?         
1 1 1 22 2  35  o 14.640  0.8460 ?              ?         
1 1 1 22 2  36  o 11.890  0.8869 ?              ?         
1 1 1 22 2  37  o 12.280  0.8532 ?              ?         
1 1 1 22 2  38  o 4.7620  1.4840 ?              ?         
1 1 1 22 2  39  o 10.850  0.9286 ?              ?         
1 1 1 22 2  40  o 3.6640  0.8677 4.116000       1.735000  
1 1 1 22 2  41  o 7.7120  0.6834 10.90000       1.367000  
1 1 1 22 2  42  o 4.9800  1.0520 0.1711000      2.105000  
1 1 1 22 2  43  o 7.0180  1.0220 -1.743000      2.045000  
1 1 1 22 2  44  o 3.4550  1.5580 ?              ?         
1 1 1 22 2  45  o 7.4340  1.7190 ?              ?         
1 1 1 22 2  46  o 4.6920  1.8230 ?              ?         
1 1 1 22 2  47  o 3.2790  1.0660 0.5101000      2.132000  
1 1 1 22 2  48  o 4.8960  1.2880 -0.9511000E-01 2.576000  
1 1 1 22 2  49  o 5.2690  1.3230 -0.9486000E-02 2.647000  
1 1 1 22 2  50  o 3.3050  1.0900 -0.4179000     2.180000  
1 1 1 22 2  51  o 4.2960  1.7780 ?              ?         
1 1 1 22 3  0   o 12.450  0.5657 0.000000       0.000000  
1 1 1 22 3  1   o 5.2860  0.7088 -0.8889000E-01 1.418000  
1 1 1 22 3  2   o 5.5860  0.6636 0.3776000      1.327000  
1 1 1 22 3  3   o 6.3950  0.5970 -0.8131000     1.194000  
1 1 1 22 3  4   o 11.560  0.5400 1.651000       1.080000  
1 1 1 22 3  5   o 12.470  0.6594 2.680000       1.319000  
1 1 1 22 3  6   o 16.750  0.6255 -1.719000      1.251000  
1 1 1 22 3  7   o 9.7150  0.8663 -5.575000      1.733000  
1 1 1 22 3  8   o 11.400  0.7240 2.161000       1.448000  
1 1 1 22 3  9   o 22.690  1.2640 2.855000       2.528000  
1 1 1 22 3  10  o 12.520  1.6730 2.827000       3.346000  
1 1 1 22 3  11  o 17.700  0.6712 -0.1130000     1.342000  
1 1 1 22 3  12  o 6.1210  1.5860 ?              ?         
1 1 1 22 3  13  o 9.2390  0.9180 1.414000       1.836000  
1 1 1 22 3  14  o 12.130  0.8055 1.566000       1.611000  
1 1 1 22 3  15  o 6.2020  1.2320 -1.950000      2.464000  
1 1 1 22 3  16  o 21.380  0.7594 2.048000       1.519000  
1 1 1 22 3  17  o 11.020  0.9176 3.886000       1.835000  
1 1 1 22 3  18  o 9.2930  0.9956 -4.765000      1.991000  
1 1 1 22 3  19  o 4.2530  1.8030 ?              ?         
1 1 1 22 3  20  o 8.0790  1.8520 ?              ?         
1 1 1 22 3  21  o 6.8620  2.0120 ?              ?         
1 1 1 22 3  22  o 6.2830  2.1250 ?              ?         
1 1 1 22 3  23  o 10.360  1.6920 ?              ?         
1 1 1 22 3  24  o 6.0090  2.1520 ?              ?         
1 1 1 22 3  25  o 11.900  1.5830 ?              ?         
1 1 1 22 3  26  o 5.9780  1.3290 -0.3953000E-01 2.657000  
1 1 1 22 3  27  o 6.3130  1.4140 -0.6278000     2.827000  
1 1 1 22 3  28  o 5.7190  1.2420 2.149000       2.483000  
1 1 1 22 3  29  o 4.7340  1.3370 -0.5584000     2.673000  
1 1 1 22 3  30  o 13.290  1.0660 0.7517000      2.133000  
1 1 1 22 3  31  o 7.9870  1.3640 1.311000       2.727000  
1 1 1 22 3  32  o 20.150  0.9145 1.477000       1.829000  
1 1 1 22 3  33  o 8.3770  1.2840 5.533000       2.568000  
1 1 1 22 3  34  o 4.4640  1.2550 0.5036000      2.510000  
1 1 1 22 3  35  o 5.6970  1.3060 1.560000       2.611000  
1 1 1 22 3  36  o 10.220  1.3540 2.925000       2.708000  
1 1 1 22 3  37  o 7.0040  1.2330 4.213000       2.465000  
1 1 1 22 3  38  o 13.600  0.9325 ?              ?         
1 1 1 22 3  39  o 7.7850  1.3330 ?              ?         
1 1 1 22 3  40  o 7.9430  1.3970 ?              ?         
1 1 1 22 3  41  o 9.4200  1.2320 ?              ?         
1 1 1 22 3  42  o 3.3200  1.4970 ?              ?         
1 1 1 22 3  43  o 3.2950  0.9908 0.4467000      1.982000  
1 1 1 22 3  44  o 4.0290  1.6980 ?              ?         
1 1 1 22 3  45  o 3.6770  1.6250 ?              ?         
1 1 1 22 3  46  f 3.5870  1.6280 ?              ?         
1 1 1 22 3  47  o 3.0410  1.0130 -0.6379000E-01 2.025000  
1 1 1 22 3  48  o 3.3310  1.0840 0.6596000      2.167000  
1 1 1 22 3  49  o 4.6470  1.2600 -1.262000      2.520000  
1 1 1 22 3  50  o 3.2820  1.0730 -0.6888000     2.145000  
1 1 1 22 3  51  o 3.2580  1.5260 ?              ?         
1 1 1 22 4  0   o 10.740  0.5906 -0.000000      0.000000  
1 1 1 22 4  1   o 3.2250  0.8136 -0.3888000     1.627000  
1 1 1 22 4  2   o 4.5740  0.9276 0.6971000      1.855000  
1 1 1 22 4  3   o 11.430  0.5453 1.939000       1.091000  
1 1 1 22 4  4   o 7.0130  0.9717 -3.058000      1.943000  
1 1 1 22 4  5   o 10.660  0.7305 0.6988000      1.461000  
1 1 1 22 4  6   o 14.120  0.6628 1.993000       1.326000  
1 1 1 22 4  7   o 19.160  0.6581 -0.4263000     1.316000  
1 1 1 22 4  8   o 15.520  1.2540 -0.6771000     2.509000  
1 1 1 22 4  9   o 15.710  0.6503 0.1136000E-01  1.301000  
1 1 1 22 4  10  o 23.260  1.1780 -0.1424000     2.356000  
1 1 1 22 4  11  o 20.110  1.0290 ?              ?         
1 1 1 22 4  12  o 20.170  0.6920 1.227000       1.384000  
1 1 1 22 4  13  o 17.570  1.0060 ?              ?         
1 1 1 22 4  14  o 13.950  0.7591 4.133000       1.518000  
1 1 1 22 4  15  o 23.990  0.7798 0.1400000      1.560000  
1 1 1 22 4  16  o 10.300  0.9921 -5.937000      1.984000  
1 1 1 22 4  17  o 16.910  0.7329 0.6149000      1.466000  
1 1 1 22 4  18  o 12.020  0.8411 -0.5492000     1.682000  
1 1 1 22 4  19  o 5.6180  1.3200 1.003000       2.640000  
1 1 1 22 4  20  o 5.1720  1.3290 0.6981000E-01  2.659000  
1 1 1 22 4  21  o 17.300  0.7459 -0.4225000     1.492000  
1 1 1 22 4  22  o 10.530  1.5470 ?              ?         
1 1 1 22 4  23  o 12.530  1.4170 ?              ?         
1 1 1 22 4  24  o 17.730  0.7830 1.734000       1.566000  
1 1 1 22 4  25  o 9.7050  1.0340 -1.831000      2.068000  
1 1 1 22 4  26  o 16.360  0.7835 0.4388000      1.567000  
1 1 1 22 4  27  o 5.7570  1.2660 1.550000       2.531000  
1 1 1 22 4  28  o 6.2940  1.3450 -2.673000      2.689000  
1 1 1 22 4  29  o 7.7020  1.2820 1.794000       2.565000  
1 1 1 22 4  30  o 3.1570  1.0530 -0.2472000     2.106000  
1 1 1 22 4  31  o 6.2840  1.1300 4.177000       2.261000  
1 1 1 22 4  32  o 11.780  1.2630 3.137000       2.525000  
1 1 1 22 4  33  o 6.2090  1.3650 1.557000       2.729000  
1 1 1 22 4  34  o 7.8690  1.4570 0.1092000      2.914000  
1 1 1 22 4  35  o 12.210  1.2700 1.316000       2.540000  
1 1 1 22 4  36  o 5.6340  1.2900 1.951000       2.580000  
1 1 1 22 4  37  o 8.7380  1.4210 2.524000       2.842000  
1 1 1 22 4  38  o 9.9750  1.3770 0.9688000      2.754000  
1 1 1 22 4  39  o 5.5790  1.3360 1.489000       2.672000  
1 1 1 22 4  40  o 4.9580  1.4070 -0.9172000     2.815000  
1 1 1 22 4  41  o 5.7230  1.3640 1.493000       2.729000  
1 1 1 22 4  42  o 6.4990  1.4200 0.5214000      2.840000  
1 1 1 22 4  43  o 7.5850  1.2890 4.555000       2.579000  
1 1 1 22 4  44  f 2.5120  0.8593 0.9347000      1.719000  
1 1 1 22 4  45  o 4.4210  1.0390 -1.645000      2.078000  
1 1 1 22 4  46  o 3.4220  1.0730 -0.1526000     2.146000  
1 1 1 22 4  47  o 4.0990  1.1700 -0.6859000     2.340000  
1 1 1 22 4  48  o 4.2310  1.2030 2.570000       2.406000  
1 1 1 22 4  49  o 4.2410  1.2440 -0.4787000     2.488000  
1 1 1 22 4  50  o 5.6320  1.8660 ?              ?         
1 1 1 22 4  51  o 2.9100  1.4100 ?              ?         
1 1 1 22 5  0   o 6.5300  1.4610 0.000000       0.000000  
1 1 1 22 5  1   o 6.4900  0.7655 -0.4221000E-01 1.531000  
1 1 1 22 5  2   o 10.870  0.5263 0.3148000      1.053000  
1 1 1 22 5  3   o 9.4910  0.6300 0.1624000      1.260000  
1 1 1 22 5  4   o 8.5260  0.8860 -2.484000      1.772000  
1 1 1 22 5  5   f 8.7100  0.8505 0.9656000      1.701000  
1 1 1 22 5  6   o 18.100  0.6317 0.4941000      1.263000  
1 1 1 22 5  7   o 22.030  0.7113 4.508000       1.423000  
1 1 1 22 5  8   o 32.580  0.8932 -2.343000      1.786000  
1 1 1 22 5  9   o 15.730  0.9735 ?              ?         
1 1 1 22 5  10  o 24.290  0.7393 -1.508000      1.479000  
1 1 1 22 5  11  o 17.890  0.7003 -3.493000      1.401000  
1 1 1 22 5  12  o 16.070  0.7052 -1.205000      1.410000  
1 1 1 22 5  13  o 10.860  0.8425 -2.364000      1.685000  
1 1 1 22 5  14  o 17.570  0.7313 3.009000       1.463000  
1 1 1 22 5  15  o 13.940  0.7631 -4.117000      1.526000  
1 1 1 22 5  16  o 17.710  0.7529 4.066000       1.506000  
1 1 1 22 5  17  o 20.030  1.0740 ?              ?         
1 1 1 22 5  18  f 17.570  0.7655 2.935000       1.531000  
1 1 1 22 5  19  o 20.890  0.7857 -0.7372000     1.571000  
1 1 1 22 5  20  o 13.320  0.8460 1.055000       1.692000  
1 1 1 22 5  21  o 6.7580  1.1660 1.478000       2.331000  
1 1 1 22 5  22  o 9.9290  0.9315 0.2835000      1.863000  
1 1 1 22 5  23  o 13.100  0.7880 0.8964000      1.576000  
1 1 1 22 5  24  o 7.9060  1.1200 -1.701000      2.240000  
1 1 1 22 5  25  o 7.5720  1.2670 0.8981000      2.533000  
1 1 1 22 5  26  o 7.9210  1.2120 3.737000       2.425000  
1 1 1 22 5  27  o 6.2770  1.4290 2.044000       2.859000  
1 1 1 22 5  28  f 3.3580  1.0910 -0.1609000     2.182000  
1 1 1 22 5  29  o 5.0490  1.3430 -0.9269000     2.687000  
1 1 1 22 5  30  o 3.6260  1.1860 -1.486000      2.372000  
1 1 1 22 5  31  o 5.4640  1.3650 -0.7319000E-01 2.729000  
1 1 1 22 5  32  o 5.1530  1.4160 -1.448000      2.831000  
1 1 1 22 5  33  o 14.700  0.9683 0.9160000      1.937000  
1 1 1 22 5  34  o 6.5150  1.4980 -1.344000      2.996000  
1 1 1 22 5  35  o 8.8080  1.2970 6.146000       2.594000  
1 1 1 22 5  36  o 7.4690  1.5220 -3.056000      3.043000  
1 1 1 22 5  37  o 4.7030  1.3510 0.3764000      2.703000  
1 1 1 22 5  38  o 5.1330  1.4440 -0.6816000     2.889000  
1 1 1 22 5  39  o 3.9810  1.2440 0.2883000E-01  2.489000  
1 1 1 22 5  40  o 4.3340  1.3570 -1.689000      2.713000  
1 1 1 22 5  41  o 4.8630  1.3860 -0.9858000E-01 2.771000  
1 1 1 22 5  42  o 4.4480  1.3540 -0.7011000     2.708000  
1 1 1 22 5  43  o 5.6670  1.3560 2.450000       2.712000  
1 1 1 22 5  44  o 3.4530  1.1490 0.2723000      2.297000  
1 1 1 22 5  45  o 3.5240  1.0250 0.8487000      2.050000  
1 1 1 22 5  46  o 2.7900  0.9331 1.040000       1.866000  
1 1 1 22 5  47  o 7.9740  1.0050 1.186000       2.011000  
1 1 1 22 5  48  o 4.7580  1.2270 3.135000       2.453000  
1 1 1 22 5  49  o 3.4060  1.5550 ?              ?         
1 1 1 22 5  50  o 3.6400  1.6190 ?              ?         
1 1 1 22 6  0   o 10.180  0.9510 -0.000000      0.000000  
1 1 1 22 6  1   o 18.590  0.5258 1.703000       1.052000  
1 1 1 22 6  2   o 13.240  0.7103 ?              ?         
1 1 1 22 6  3   o 17.280  0.4935 0.2405000E-01  0.9870000 
1 1 1 22 6  4   o 20.790  0.6728 0.4026000      1.346000  
1 1 1 22 6  5   o 19.900  0.6881 3.466000       1.376000  
1 1 1 22 6  6   o 23.110  0.6973 -1.776000      1.395000  
1 1 1 22 6  7   o 15.260  0.7036 -7.130000      1.407000  
1 1 1 22 6  8   f 14.520  0.6545 0.3315000      1.309000  
1 1 1 22 6  9   o 16.230  0.6643 0.4889000E-01  1.329000  
1 1 1 22 6  10  o 19.090  1.0830 1.781000       2.166000  
1 1 1 22 6  11  o 17.710  0.6770 -2.949000      1.354000  
1 1 1 22 6  12  o 19.840  0.7077 3.939000       1.415000  
1 1 1 22 6  13  o 18.580  1.0410 ?              ?         
1 1 1 22 6  14  o 10.770  0.8809 -1.146000      1.762000  
1 1 1 22 6  15  o 17.680  0.7308 0.5613000      1.462000  
1 1 1 22 6  16  o 8.4660  1.1030 -4.097000      2.205000  
1 1 1 22 6  17  o 12.840  0.8788 3.548000       1.758000  
1 1 1 22 6  18  o 9.8950  1.0220 1.365000       2.044000  
1 1 1 22 6  19  o 9.6420  0.9548 2.310000       1.910000  
1 1 1 22 6  20  o 13.260  0.7993 2.414000       1.599000  
1 1 1 22 6  21  o 6.8210  1.1130 3.602000       2.226000  
1 1 1 22 6  22  o 8.5020  1.1200 1.631000       2.240000  
1 1 1 22 6  23  o 7.9780  1.1260 -1.178000      2.251000  
1 1 1 22 6  24  o 8.3890  1.1570 4.162000       2.313000  
1 1 1 22 6  25  o 6.0250  1.3040 -1.562000      2.608000  
1 1 1 22 6  26  o 6.0560  1.3160 -1.501000      2.633000  
1 1 1 22 6  27  o 4.9850  1.2380 0.4981000      2.475000  
1 1 1 22 6  28  o 5.2680  1.3010 0.8265000      2.603000  
1 1 1 22 6  29  o 5.0400  1.3380 0.2047000E-01  2.677000  
1 1 1 22 6  30  o 6.1540  1.3610 0.5119000      2.722000  
1 1 1 22 6  31  o 8.6410  1.2870 1.889000       2.573000  
1 1 1 22 6  32  o 9.0950  1.3180 1.559000       2.636000  
1 1 1 22 6  33  o 5.5370  1.4360 -0.4367000     2.872000  
1 1 1 22 6  34  f 6.4670  1.3690 1.459000       2.738000  
1 1 1 22 6  35  o 10.710  1.3090 3.551000       2.617000  
1 1 1 22 6  36  o 5.5760  1.3000 1.931000       2.601000  
1 1 1 22 6  37  o 5.3710  1.4630 -1.154000      2.926000  
1 1 1 22 6  38  f 4.4380  1.3670 -3.440000      2.733000  
1 1 1 22 6  39  o 3.4830  1.1650 -0.7104000     2.331000  
1 1 1 22 6  40  o 4.2030  1.2670 0.5978000      2.534000  
1 1 1 22 6  41  o 4.2900  1.2990 0.2321000      2.597000  
1 1 1 22 6  42  o 4.0410  1.2870 -0.6026000     2.574000  
1 1 1 22 6  43  o 4.3310  1.2940 0.6726000      2.587000  
1 1 1 22 6  44  o 3.5190  1.1610 -0.4393000     2.323000  
1 1 1 22 6  45  o 4.4920  1.1040 1.196000       2.209000  
1 1 1 22 6  46  o 3.1180  0.9552 0.7377000E-01  1.910000  
1 1 1 22 6  47  o 3.7550  1.0880 0.5735000      2.176000  
1 1 1 22 6  48  o 3.0360  1.4220 ?              ?         
1 1 1 22 6  49  o 3.0750  1.4660 ?              ?         
1 1 1 22 7  0   o 11.670  0.8186 0.000000       0.000000  
1 1 1 22 7  1   o 11.720  0.5938 -1.733000      1.188000  
1 1 1 22 7  2   o 5.4360  1.1230 -2.292000      2.247000  
1 1 1 22 7  3   o 6.3860  1.1320 0.2141000      2.264000  
1 1 1 22 7  4   o 8.0740  0.8054 1.048000       1.611000  
1 1 1 22 7  5   f 11.910  0.7241 1.601000       1.448000  
1 1 1 22 7  6   o 16.370  0.6697 4.506000       1.339000  
1 1 1 22 7  7   o 19.620  1.0140 2.578000       2.028000  
1 1 1 22 7  8   o 13.950  0.9684 ?              ?         
1 1 1 22 7  9   o 11.070  0.7843 -3.582000      1.569000  
1 1 1 22 7  10  o 7.7630  1.1450 7.214000       2.289000  
1 1 1 22 7  11  o 14.780  0.7192 1.497000       1.438000  
1 1 1 22 7  12  o 8.5130  1.4440 ?              ?         
1 1 1 22 7  13  o 18.290  1.0860 -0.1989000     2.172000  
1 1 1 22 7  14  o 7.8810  1.0510 -6.174000      2.102000  
1 1 1 22 7  15  o 12.100  0.8349 2.260000       1.670000  
1 1 1 22 7  16  o 9.7520  0.9709 -0.3193000     1.942000  
1 1 1 22 7  17  f 5.0580  1.1960 -0.9347000     2.391000  
1 1 1 22 7  18  o 4.1870  1.1860 -1.585000      2.372000  
1 1 1 22 7  19  o 7.0670  1.1330 2.668000       2.265000  
1 1 1 22 7  20  o 10.200  0.8694 1.116000       1.739000  
1 1 1 22 7  21  o 6.8650  1.2010 0.8184000      2.401000  
1 1 1 22 7  22  o 8.0510  1.1480 2.337000       2.295000  
1 1 1 22 7  23  o 7.8120  1.1390 -1.331000      2.277000  
1 1 1 22 7  24  o 11.240  0.9477 2.001000       1.895000  
1 1 1 22 7  25  o 10.360  0.9419 -0.9812000     1.884000  
1 1 1 22 7  26  o 5.0250  1.2550 0.4188000      2.510000  
1 1 1 22 7  27  o 5.2330  1.3450 -2.202000      2.690000  
1 1 1 22 7  28  o 4.2780  1.2530 -0.3591000     2.506000  
1 1 1 22 7  29  o 11.290  1.1180 4.954000       2.237000  
1 1 1 22 7  30  o 6.3780  1.3420 -1.070000      2.684000  
1 1 1 22 7  31  o 7.4190  1.3690 -0.2090000     2.739000  
1 1 1 22 7  32  o 5.9550  1.6840 0.8821000E-01  3.368000  
1 1 1 22 7  33  o 10.730  1.2520 2.653000       2.504000  
1 1 1 22 7  34  o 5.0530  1.3850 0.4973000E-01  2.770000  
1 1 1 22 7  35  o 10.100  1.3290 3.342000       2.658000  
1 1 1 22 7  36  o 7.7760  1.3780 2.942000       2.756000  
1 1 1 22 7  37  o 5.5370  1.3330 2.040000       2.666000  
1 1 1 22 7  38  o 4.9230  1.3680 0.4682000      2.736000  
1 1 1 22 7  39  o 5.0310  1.3690 0.7804000      2.737000  
1 1 1 22 7  40  o 6.6690  1.4730 0.7567000      2.945000  
1 1 1 22 7  41  o 5.7420  1.2670 3.215000       2.534000  
1 1 1 22 7  42  o 5.0300  1.3750 0.3846000      2.750000  
1 1 1 22 7  43  o 4.9670  1.2820 2.245000       2.564000  
1 1 1 22 7  44  o 3.6890  1.1850 -0.5852000     2.370000  
1 1 1 22 7  45  o 5.0950  1.0660 -0.9936000     2.133000  
1 1 1 22 7  46  f 5.5270  1.1140 -1.225000      2.229000  
1 1 1 22 7  47  o 3.4910  1.5440 ?              ?         
1 1 1 22 8  0   o 3.4330  1.8180 0.000000       0.000000  
1 1 1 22 8  1   o 4.9600  1.1820 0.7473000      2.364000  
1 1 1 22 8  2   o 4.4930  1.1800 0.2163000      2.360000  
1 1 1 22 8  3   o 8.0580  1.0050 1.565000       2.010000  
1 1 1 22 8  4   o 8.4840  1.2890 2.244000       2.578000  
1 1 1 22 8  5   o 10.830  0.6419 0.5863000      1.284000  
1 1 1 22 8  6   o 6.9910  1.0730 -4.201000      2.146000  
1 1 1 22 8  7   o 5.5040  1.0620 -4.328000      2.125000  
1 1 1 22 8  8   o 10.250  0.8674 1.880000       1.735000  
1 1 1 22 8  9   o 12.340  0.7441 0.4736000      1.488000  
1 1 1 22 8  10  o 8.5300  1.0160 -0.5549000     2.032000  
1 1 1 22 8  11  f 14.890  0.7096 -1.576000      1.419000  
1 1 1 22 8  12  o 10.850  0.8688 -2.319000      1.738000  
1 1 1 22 8  13  f 8.6310  1.0770 0.8070000      2.155000  
1 1 1 22 8  14  o 12.730  0.7880 0.7643000      1.576000  
1 1 1 22 8  15  f 10.020  0.9592 1.848000       1.918000  
1 1 1 22 8  16  f 6.2270  1.1600 -4.131000      2.319000  
1 1 1 22 8  17  o 4.1700  1.1610 -2.996000      2.323000  
1 1 1 22 8  18  o 5.8660  1.2110 0.3356000      2.423000  
1 1 1 22 8  19  o 12.080  0.7868 -0.9902000E-01 1.574000  
1 1 1 22 8  20  o 7.2720  1.1680 1.150000       2.335000  
1 1 1 22 8  21  o 12.040  0.8001 0.7537000E-01  1.600000  
1 1 1 22 8  22  o 14.740  0.7616 2.413000       1.523000  
1 1 1 22 8  23  o 14.560  0.7498 -2.008000      1.500000  
1 1 1 22 8  24  o 7.7920  1.1640 3.786000       2.327000  
1 1 1 22 8  25  o 13.440  0.8145 1.027000       1.629000  
1 1 1 22 8  26  o 8.3630  1.2270 1.458000       2.455000  
1 1 1 22 8  27  o 7.7950  1.2370 3.119000       2.475000  
1 1 1 22 8  28  o 4.7510  1.3550 -2.225000      2.711000  
1 1 1 22 8  29  o 12.870  0.8122 ?              ?         
1 1 1 22 8  30  o 5.3520  1.3360 -0.1875000     2.672000  
1 1 1 22 8  31  f 8.8240  1.2000 0.4549000E-02  2.400000  
1 1 1 22 8  32  o 8.2010  1.2970 1.498000       2.594000  
1 1 1 22 8  33  o 12.480  1.0770 4.563000       2.155000  
1 1 1 22 8  34  o 9.4660  1.5810 5.243000       3.163000  
1 1 1 22 8  35  o 9.1260  1.2900 2.149000       2.581000  
1 1 1 22 8  36  o 4.7380  1.3770 -0.6290000E-01 2.753000  
1 1 1 22 8  37  o 6.4290  1.4730 0.9104000      2.947000  
1 1 1 22 8  38  o 4.9830  1.4100 0.6222000      2.821000  
1 1 1 22 8  39  o 4.1980  1.2920 0.6099000      2.584000  
1 1 1 22 8  40  o 5.0470  1.4360 -0.1637000     2.872000  
1 1 1 22 8  41  f 3.3100  1.1230 -0.8658000     2.245000  
1 1 1 22 8  42  o 3.2850  1.0920 1.097000       2.185000  
1 1 1 22 8  43  o 3.6160  1.1850 -0.1669000E-01 2.369000  
1 1 1 22 8  44  o 4.2870  1.1780 1.889000       2.356000  
1 1 1 22 8  45  o 3.3920  1.3810 ?              ?         
1 1 1 22 9  0   o 8.2300  1.6640 0.000000       0.000000  
1 1 1 22 9  1   o 6.5580  0.9657 1.272000       1.931000  
1 1 1 22 9  2   o 6.6310  1.1130 -0.9786000     2.226000  
1 1 1 22 9  3   o 3.6680  1.0450 0.3967000E-01  2.090000  
1 1 1 22 9  4   o 8.2640  0.8615 1.310000       1.723000  
1 1 1 22 9  5   o 9.7310  0.7336 ?              ?         
1 1 1 22 9  6   o 7.3330  0.8354 -2.135000      1.671000  
1 1 1 22 9  7   o 8.7300  2.5730 ?              ?         
1 1 1 22 9  8   o 15.280  0.7133 -0.4793000     1.427000  
1 1 1 22 9  9   o 11.350  0.8811 -2.707000      1.762000  
1 1 1 22 9  10  o 11.000  0.8558 0.1795000      1.712000  
1 1 1 22 9  11  o 10.250  0.9071 -0.3732000     1.814000  
1 1 1 22 9  12  o 4.9080  1.4440 0.2973000      2.888000  
1 1 1 22 9  13  o 10.320  0.9766 4.432000       1.953000  
1 1 1 22 9  14  o 9.7770  0.9014 0.6192000      1.803000  
1 1 1 22 9  15  o 11.310  0.7590 -1.470000      1.518000  
1 1 1 22 9  16  o 18.990  0.6493 3.164000       1.299000  
1 1 1 22 9  17  o 7.5160  1.1740 ?              ?         
1 1 1 22 9  18  o 14.980  0.7043 1.021000       1.409000  
1 1 1 22 9  19  o 8.8540  1.0840 -3.929000      2.168000  
1 1 1 22 9  20  o 10.570  0.9759 1.417000       1.952000  
1 1 1 22 9  21  o 6.2270  1.2590 0.3854000      2.518000  
1 1 1 22 9  22  o 9.0340  1.1330 2.986000       2.266000  
1 1 1 22 9  23  o 6.4620  1.3120 -2.827000      2.625000  
1 1 1 22 9  24  o 6.2590  1.2450 1.599000       2.490000  
1 1 1 22 9  25  o 5.2840  1.2800 0.1414000E-02  2.561000  
1 1 1 22 9  26  o 4.7050  1.2820 -0.3012000     2.564000  
1 1 1 22 9  27  o 8.3120  1.2520 0.6091000      2.504000  
1 1 1 22 9  28  o 4.8820  1.2940 0.3369000      2.588000  
1 1 1 22 9  29  o 4.8740  1.1720 1.989000       2.343000  
1 1 1 22 9  30  o 3.4650  1.1330 -0.5370000     2.266000  
1 1 1 22 9  31  o 5.0140  1.3850 -1.339000      2.770000  
1 1 1 22 9  32  o 9.7290  1.2290 2.169000       2.458000  
1 1 1 22 9  33  o 5.4660  1.3110 0.8444000      2.623000  
1 1 1 22 9  34  o 3.5540  1.1460 -0.1750000     2.293000  
1 1 1 22 9  35  o 3.8410  1.1850 0.2470000      2.369000  
1 1 1 22 9  36  o 3.7090  1.0970 1.631000       2.195000  
1 1 1 22 9  37  o 4.7740  1.2510 1.241000       2.502000  
1 1 1 22 9  38  o 5.3080  1.4140 0.7332000      2.827000  
1 1 1 22 9  39  o 3.5650  1.1800 -0.1855000     2.359000  
1 1 1 22 9  40  o 6.1250  1.3410 3.279000       2.681000  
1 1 1 22 9  41  o 5.2100  1.3420 2.710000       2.684000  
1 1 1 22 9  42  f 5.1430  1.1710 1.879000       2.341000  
1 1 1 22 9  43  o 4.0910  1.8050 ?              ?         
1 1 1 22 10 0   o 11.230  0.9018 -0.000000      0.000000  
1 1 1 22 10 1   o 12.340  0.8305 -0.7137000     1.661000  
1 1 1 22 10 2   o 9.3550  0.8702 0.4436000      1.740000  
1 1 1 22 10 3   o 13.760  0.7941 0.7641000      1.588000  
1 1 1 22 10 4   o 7.3550  0.9122 -1.195000      1.824000  
1 1 1 22 10 5   f 11.280  1.0270 1.105000       2.053000  
1 1 1 22 10 6   o 11.940  0.6280 0.5793000      1.256000  
1 1 1 22 10 7   o 7.2760  0.9045 ?              ?         
1 1 1 22 10 8   o 5.8150  1.2040 1.481000       2.408000  
1 1 1 22 10 9   o 4.7780  1.1230 -2.291000      2.245000  
1 1 1 22 10 10  o 3.5870  1.2010 -2.005000      2.402000  
1 1 1 22 10 11  o 10.200  0.8811 2.701000       1.762000  
1 1 1 22 10 12  o 7.6240  1.0390 -1.636000      2.079000  
1 1 1 22 10 13  o 6.2180  1.4630 0.2129000      2.926000  
1 1 1 22 10 14  o 6.4770  1.1590 -3.323000      2.318000  
1 1 1 22 10 15  o 4.7110  1.2290 -1.345000      2.457000  
1 1 1 22 10 16  o 3.9250  1.3290 -1.700000      2.659000  
1 1 1 22 10 17  f 6.3970  1.1590 2.570000       2.318000  
1 1 1 22 10 18  o 4.7230  1.4270 -0.6191000     2.854000  
1 1 1 22 10 19  o 4.4450  1.2310 -0.3010000     2.462000  
1 1 1 22 10 20  o 6.4620  1.2820 -1.616000      2.563000  
1 1 1 22 10 21  o 9.1860  1.2140 3.650000       2.429000  
1 1 1 22 10 22  o 7.3820  1.2410 1.440000       2.481000  
1 1 1 22 10 23  o 7.9590  1.2210 0.1979000      2.441000  
1 1 1 22 10 24  o 7.3080  1.3310 -0.8209000     2.663000  
1 1 1 22 10 25  o 4.9250  1.3330 -1.529000      2.666000  
1 1 1 22 10 26  f 5.1060  1.3090 -0.2358000     2.618000  
1 1 1 22 10 27  o 4.7930  1.2660 0.3224000      2.532000  
1 1 1 22 10 28  o 5.9800  1.2090 2.474000       2.417000  
1 1 1 22 10 29  o 8.7490  1.2650 2.267000       2.531000  
1 1 1 22 10 30  o 4.9670  1.2960 0.6443000      2.592000  
1 1 1 22 10 31  o 5.5170  1.3560 0.4382000      2.712000  
1 1 1 22 10 32  f 5.6080  1.3510 0.4522000      2.702000  
1 1 1 22 10 33  o 8.0340  1.2920 3.262000       2.584000  
1 1 1 22 10 34  o 4.5600  1.3310 -0.9968000     2.662000  
1 1 1 22 10 35  o 10.070  1.1960 1.648000       2.392000  
1 1 1 22 10 36  o 5.3150  1.2980 1.545000       2.597000  
1 1 1 22 10 37  o 3.9040  1.1880 0.5860000      2.376000  
1 1 1 22 10 38  o 4.9830  1.2470 1.672000       2.495000  
1 1 1 22 10 39  o 3.1410  0.9768 1.033000       1.954000  
1 1 1 22 10 40  o 2.7680  0.9177 0.9294000      1.835000  
1 1 1 22 10 41  o 4.1870  1.8120 ?              ?         
1 1 1 22 11 0   o 8.2090  1.9090 0.000000       0.000000  
1 1 1 22 11 1   o 10.190  0.9351 -3.155000      1.870000  
1 1 1 22 11 2   o 8.9070  0.8068 0.7020000      1.614000  
1 1 1 22 11 3   o 14.280  0.7617 ?              ?         
1 1 1 22 11 4   o 13.590  0.7563 ?              ?         
1 1 1 22 11 5   o 14.780  0.5753 -1.276000      1.151000  
1 1 1 22 11 6   o 11.850  0.6537 0.5593000      1.307000  
1 1 1 22 11 7   o 10.590  0.7201 1.020000       1.440000  
1 1 1 22 11 8   o 4.9670  1.2490 0.7615000      2.498000  
1 1 1 22 11 9   o 5.2370  1.0230 1.206000       2.045000  
1 1 1 22 11 10  o 7.0590  1.2610 2.773000       2.522000  
1 1 1 22 11 11  f 6.3870  1.0400 -0.3741000     2.080000  
1 1 1 22 11 12  o 12.540  1.3930 4.618000       2.785000  
1 1 1 22 11 13  o 7.2060  1.1000 -3.456000      2.201000  
1 1 1 22 11 14  o 6.0190  1.1580 2.008000       2.316000  
1 1 1 22 11 15  o 6.2110  1.4570 0.8233000      2.914000  
1 1 1 22 11 16  o 11.620  0.8675 2.897000       1.735000  
1 1 1 22 11 17  o 5.9160  1.3500 1.954000       2.701000  
1 1 1 22 11 18  o 7.0490  1.2450 -3.015000      2.490000  
1 1 1 22 11 19  o 4.1110  1.3070 -0.4102000     2.614000  
1 1 1 22 11 20  o 3.4040  1.1060 -0.9271000     2.212000  
1 1 1 22 11 21  o 3.5770  1.2730 -1.833000      2.546000  
1 1 1 22 11 22  o 3.9580  1.2360 -2.153000      2.472000  
1 1 1 22 11 23  o 4.9160  1.3080 -0.4653000     2.616000  
1 1 1 22 11 24  o 3.8340  1.1770 -0.1125000E-01 2.355000  
1 1 1 22 11 25  o 3.6750  1.1560 -0.2378000     2.312000  
1 1 1 22 11 26  o 5.1520  1.1680 2.465000       2.336000  
1 1 1 22 11 27  o 4.0990  1.2210 -0.1843000     2.443000  
1 1 1 22 11 28  o 4.1820  1.2880 -1.109000      2.576000  
1 1 1 22 11 29  o 3.6460  1.1510 0.1247000      2.302000  
1 1 1 22 11 30  o 4.1170  1.2500 -0.9072000E-01 2.499000  
1 1 1 22 11 31  f 8.2090  1.2730 2.214000       2.545000  
1 1 1 22 11 32  o 3.8520  1.2200 -0.7580000     2.440000  
1 1 1 22 11 33  o 3.5580  1.1400 0.1255000      2.279000  
1 1 1 22 11 34  o 3.3900  1.1290 -0.7025000     2.258000  
1 1 1 22 11 35  o 2.7090  0.8748 1.183000       1.750000  
1 1 1 22 11 36  o 4.5230  1.0360 2.032000       2.072000  
1 1 1 22 11 37  o 14.560  0.6188 2.302000       1.238000  
1 1 1 22 11 38  o 5.2030  1.2830 1.526000       2.565000  
1 1 1 22 11 39  o 5.7490  1.5240 -0.1126000     3.047000  
1 1 1 22 12 0   o 4.0350  2.2710 -0.000000      0.000000  
1 1 1 22 12 1   o 5.0960  1.1450 1.724000       2.290000  
1 1 1 22 12 2   o 4.9290  1.1650 1.440000       2.329000  
1 1 1 22 12 3   o 8.3430  1.1270 4.083000       2.255000  
1 1 1 22 12 4   o 7.3270  1.2020 -0.3832000     2.405000  
1 1 1 22 12 5   o 13.590  0.6137 0.9677000      1.227000  
1 1 1 22 12 6   o 8.7490  0.8927 1.649000       1.785000  
1 1 1 22 12 7   o 12.510  0.6649 ?              ?         
1 1 1 22 12 8   o 13.540  1.0730 3.423000       2.145000  
1 1 1 22 12 9   o 11.780  0.6819 -4.007000      1.364000  
1 1 1 22 12 10  o 16.010  1.0860 3.705000       2.171000  
1 1 1 22 12 11  o 6.0680  1.1460 3.212000       2.292000  
1 1 1 22 12 12  o 5.0800  1.1280 -3.109000      2.256000  
1 1 1 22 12 13  o 6.0170  1.4360 -0.7128000     2.871000  
1 1 1 22 12 14  o 6.9450  1.5930 -1.090000      3.185000  
1 1 1 22 12 15  o 4.8110  1.1800 0.8598000      2.359000  
1 1 1 22 12 16  o 4.9720  1.0900 2.563000       2.180000  
1 1 1 22 12 17  o 9.8010  1.5410 3.456000       3.082000  
1 1 1 22 12 18  o 11.430  0.8533 0.7121000      1.707000  
1 1 1 22 12 19  o 10.400  1.0050 2.553000       2.009000  
1 1 1 22 12 20  f 4.9050  1.4120 0.1169000      2.824000  
1 1 1 22 12 21  o 4.5450  1.1540 -0.2079000     2.308000  
1 1 1 22 12 22  o 5.2580  1.1010 1.907000       2.202000  
1 1 1 22 12 23  o 4.2660  1.1010 -1.752000      2.203000  
1 1 1 22 12 24  o 8.6140  0.9097 4.583000       1.819000  
1 1 1 22 12 25  o 8.0910  0.9605 5.638000       1.921000  
1 1 1 22 12 26  o 5.7230  1.1330 0.7084000E-02  2.265000  
1 1 1 22 12 27  o 4.9870  1.1490 1.137000       2.298000  
1 1 1 22 12 28  o 3.6870  1.0920 -0.3344000     2.184000  
1 1 1 22 12 29  o 4.7290  1.1280 2.035000       2.257000  
1 1 1 22 12 30  o 3.7510  1.0970 -0.9986000E-01 2.193000  
1 1 1 22 12 31  o 3.2850  1.0680 0.4935000      2.136000  
1 1 1 22 12 32  o 3.2050  1.0090 0.4266000      2.018000  
1 1 1 22 12 33  o 3.6310  1.0850 0.5119000      2.169000  
1 1 1 22 12 34  o 6.7940  1.0730 1.367000       2.147000  
1 1 1 22 12 35  o 6.4880  1.1630 1.894000       2.325000  
1 1 1 22 12 36  f 4.1710  1.2330 0.6334000      2.466000  
1 1 1 22 12 37  o 3.4570  1.7080 ?              ?         
1 1 1 22 13 0   o 5.8770  1.9510 0.000000       0.000000  
1 1 1 22 13 1   o 9.4620  1.0820 2.974000       2.164000  
1 1 1 22 13 2   o 6.2290  2.0690 ?              ?         
1 1 1 22 13 3   o 17.610  0.5901 0.6002000      1.180000  
1 1 1 22 13 5   o 7.6720  0.9008 -2.582000      1.802000  
1 1 1 22 13 6   o 6.6260  1.0160 -3.563000      2.032000  
1 1 1 22 13 7   o 4.8860  1.1670 -2.129000      2.334000  
1 1 1 22 13 8   o 5.5760  0.9521 -5.699000      1.904000  
1 1 1 22 13 9   o 15.180  0.5635 1.212000       1.127000  
1 1 1 22 13 10  o 14.440  0.6371 -1.228000      1.274000  
1 1 1 22 13 11  o 15.570  0.7459 1.853000       1.492000  
1 1 1 22 13 12  f 8.4350  1.1580 5.372000       2.317000  
1 1 1 22 13 13  o 9.9560  0.7050 -0.8609000     1.410000  
1 1 1 22 13 14  o 6.4320  1.0300 -0.4814000     2.060000  
1 1 1 22 13 15  o 6.6840  1.1570 2.454000       2.315000  
1 1 1 22 13 16  o 4.7770  1.1850 -2.298000      2.371000  
1 1 1 22 13 17  o 5.8930  1.2860 1.430000       2.572000  
1 1 1 22 13 18  o 6.3170  1.1990 -0.2377000     2.397000  
1 1 1 22 13 19  o 9.5240  0.8853 1.290000       1.771000  
1 1 1 22 13 20  o 7.5470  1.0810 1.963000       2.162000  
1 1 1 22 13 21  o 7.1590  1.1050 0.8075000      2.209000  
1 1 1 22 13 22  o 7.1300  1.0870 -2.159000      2.175000  
1 1 1 22 13 23  o 4.5760  1.2020 0.8631000      2.404000  
1 1 1 22 13 24  o 8.5590  0.9620 -1.054000      1.924000  
1 1 1 22 13 25  o 3.7010  1.1240 -0.6150000E-01 2.248000  
1 1 1 22 13 26  o 4.3620  1.1520 1.512000       2.304000  
1 1 1 22 13 27  o 3.1820  1.0140 0.5882000      2.027000  
1 1 1 22 13 28  o 3.9500  1.1780 1.015000       2.356000  
1 1 1 22 13 29  o 7.2260  1.0730 2.121000       2.146000  
1 1 1 22 13 30  o 8.6330  0.9669 2.689000       1.934000  
1 1 1 22 13 31  o 4.1850  1.1790 -0.6467000     2.359000  
1 1 1 22 13 32  o 12.180  0.8342 0.7198000      1.668000  
1 1 1 22 13 33  o 4.1540  1.6950 ?              ?         
1 1 1 22 14 0   f 10.130  1.0920 0.000000       0.000000  
1 1 1 22 14 1   o 6.5290  1.1230 1.077000       2.245000  
1 1 1 22 14 2   o 10.680  0.8977 -0.3319000     1.795000  
1 1 1 22 14 3   o 6.6680  1.0550 0.7283000      2.110000  
1 1 1 22 14 4   o 8.1340  0.8916 -2.415000      1.783000  
1 1 1 22 14 5   o 12.380  0.6451 1.865000       1.290000  
1 1 1 22 14 6   o 11.180  0.6943 0.2695000      1.389000  
1 1 1 22 14 7   o 14.890  0.5998 2.653000       1.200000  
1 1 1 22 14 8   o 9.6770  1.1370 3.833000       2.273000  
1 1 1 22 14 9   o 11.130  0.7234 1.675000       1.447000  
1 1 1 22 14 10  o 13.150  0.6367 0.3625000      1.273000  
1 1 1 22 14 11  o 7.5950  0.9947 0.9694000      1.989000  
1 1 1 22 14 12  o 9.3510  0.7883 -0.1394000     1.577000  
1 1 1 22 14 13  o 5.5800  1.0690 1.893000       2.137000  
1 1 1 22 14 14  o 6.1180  1.1150 -2.267000      2.231000  
1 1 1 22 14 15  o 6.2870  1.1020 0.4944000      2.204000  
1 1 1 22 14 16  o 3.4230  1.0440 -0.1908000     2.089000  
1 1 1 22 14 17  o 5.7670  1.2510 -0.8460000     2.501000  
1 1 1 22 14 18  o 9.0300  1.0500 5.386000       2.100000  
1 1 1 22 14 19  o 9.7320  0.9045 0.9113000      1.809000  
1 1 1 22 14 20  o 6.5740  1.2090 0.2066000      2.418000  
1 1 1 22 14 21  o 5.7920  1.1700 2.310000       2.340000  
1 1 1 22 14 22  o 8.3590  1.0560 5.532000       2.112000  
1 1 1 22 14 23  f 6.4800  1.1840 -0.2390000     2.368000  
1 1 1 22 14 24  o 4.4820  1.2110 0.8901000E-01  2.422000  
1 1 1 22 14 25  o 5.4880  1.4040 -0.8008000     2.807000  
1 1 1 22 14 26  o 9.1470  0.8976 1.075000       1.795000  
1 1 1 22 14 27  o 4.5350  1.2030 1.142000       2.405000  
1 1 1 22 14 28  o 6.5520  1.7620 ?              ?         
1 1 1 22 14 29  f 3.5500  1.6360 ?              ?         
1 1 1 22 14 30  o 3.4850  1.7610 ?              ?         
1 1 1 22 15 0   o 4.4540  2.3280 0.000000       0.000000  
1 1 1 22 15 1   o 4.8110  1.2300 -1.342000      2.461000  
1 1 1 22 15 2   o 6.9410  1.1550 -2.173000      2.310000  
1 1 1 22 15 3   o 9.9870  0.8883 -0.3133000     1.777000  
1 1 1 22 15 4   o 10.500  0.7752 -3.654000      1.550000  
1 1 1 22 15 5   o 14.540  0.7622 3.483000       1.524000  
1 1 1 22 15 6   o 16.100  0.6866 ?              ?         
1 1 1 22 15 7   o 6.5690  1.1360 4.093000       2.273000  
1 1 1 22 15 8   o 9.5250  0.8024 0.8695000      1.605000  
1 1 1 22 15 9   o 7.4390  0.9786 1.324000       1.957000  
1 1 1 22 15 10  o 5.5870  1.0030 2.702000       2.007000  
1 1 1 22 15 11  o 6.6100  0.9972 -2.929000      1.994000  
1 1 1 22 15 12  f 4.0150  1.0810 0.4999000      2.163000  
1 1 1 22 15 13  o 3.7120  1.0770 -0.2919000     2.154000  
1 1 1 22 15 14  o 8.7440  0.8717 1.173000       1.743000  
1 1 1 22 15 15  o 7.8640  0.9268 -0.8161000E-01 1.854000  
1 1 1 22 15 16  o 10.690  0.7213 0.9567000      1.443000  
1 1 1 22 15 17  f 7.9640  0.9954 3.117000       1.991000  
1 1 1 22 15 18  o 9.7970  0.8641 3.432000       1.728000  
1 1 1 22 15 19  o 12.540  0.7261 1.882000       1.452000  
1 1 1 22 15 20  o 4.2560  1.1410 2.019000       2.282000  
1 1 1 22 15 21  o 9.1260  1.2130 3.991000       2.426000  
1 1 1 22 15 22  o 3.9530  1.8180 ?              ?         
1 1 1 22 15 23  o 3.4420  1.6110 ?              ?         
1 1 1 22 15 24  o 3.6900  1.7010 ?              ?         
1 1 1 22 16 0   o 1.9370  1.3420 0.000000       0.000000  
1 1 1 22 16 1   o 3.1440  0.9892 0.6849000      1.978000  
1 1 1 22 16 2   o 8.3150  0.8699 1.808000       1.740000  
1 1 1 22 16 3   o 6.0240  1.0930 -0.9155000     2.187000  
1 1 1 22 16 4   o 8.4300  1.0340 0.2807000      2.068000  
1 1 1 22 16 5   o 6.4190  1.0930 -1.094000      2.187000  
1 1 1 22 16 6   o 4.1540  1.1260 0.5109000      2.253000  
1 1 1 22 16 7   o 3.4970  1.0650 -0.8213000     2.130000  
1 1 1 22 16 8   o 7.9880  0.9416 1.127000       1.883000  
1 1 1 22 16 9   o 3.8610  1.0690 1.386000       2.138000  
1 1 1 22 16 10  o 5.7540  1.0590 2.659000       2.118000  
1 1 1 22 16 11  o 5.3260  1.0670 2.129000       2.134000  
1 1 1 22 16 12  f 5.0340  1.2130 1.628000       2.427000  
1 1 1 22 16 13  o 9.6460  1.9890 ?              ?         
1 1 1 23 0  1   o 2.3920  1.3860 -0.000000      0.000000  
1 1 1 23 0  2   o 4.7440  1.3550 0.000000       0.000000  
1 1 1 23 0  3   o 3.8730  1.5480 0.000000       0.000000  
1 1 1 23 0  4   o 2.0450  1.2990 0.000000       0.000000  
1 1 1 23 0  5   o 2.3730  1.4120 -0.000000      0.000000  
1 1 1 23 0  6   o 7.5570  1.3370 -0.000000      0.000000  
1 1 1 23 0  7   o 18.230  0.9386 0.000000       0.000000  
1 1 1 23 0  8   o 3.8110  1.9370 0.000000       0.000000  
1 1 1 23 0  9   f 14.600  0.9134 0.000000       0.000000  
1 1 1 23 0  10  o 5.5660  1.3930 0.000000       0.000000  
1 1 1 23 0  11  o 2.0400  1.3330 0.000000       0.000000  
1 1 1 23 0  12  o 3.2310  1.6230 0.000000       0.000000  
1 1 1 23 0  37  o 1.1800  0.8165 0.000000       0.000000  
1 1 1 23 0  38  o 2.1700  1.2050 0.000000       0.000000  
1 1 1 23 0  39  o 1.8490  1.1820 0.000000       0.000000  
1 1 1 23 0  40  o 1.5270  1.0570 0.000000       0.000000  
1 1 1 23 0  41  o 9.7280  0.8204 0.000000       0.000000  
1 1 1 23 0  42  o 13.050  0.7802 0.000000       0.000000  
1 1 1 23 0  43  o 4.3060  1.7550 0.000000       0.000000  
1 1 1 23 0  44  o 15.120  0.8582 0.000000       0.000000  
1 1 1 23 1  0   o 2.2690  1.3550 0.000000       0.000000  
1 1 1 23 1  1   o 4.5270  0.8472 -1.122000      1.694000  
1 1 1 23 1  2   f 6.3460  0.6524 -0.4817000     1.305000  
1 1 1 23 1  3   o 6.8060  0.6137 -0.5306000E-01 1.227000  
1 1 1 23 1  4   o 4.7180  0.8341 0.4895000E-01  1.668000  
1 1 1 23 1  5   o 3.5650  0.9160 2.350000       1.832000  
1 1 1 23 1  6   o 3.3200  0.9999 -0.4319000     2.000000  
1 1 1 23 1  7   o 6.0990  1.4870 ?              ?         
1 1 1 23 1  8   o 8.4340  0.7800 1.528000       1.560000  
1 1 1 23 1  9   o 5.9390  1.0870 -0.5413000     2.174000  
1 1 1 23 1  10  o 2.9960  0.9830 -0.2149000     1.966000  
1 1 1 23 1  11  o 11.310  0.7474 -1.579000      1.495000  
1 1 1 23 1  12  o 9.8560  0.8200 -2.016000      1.640000  
1 1 1 23 1  13  o 11.340  0.7730 -2.037000      1.546000  
1 1 1 23 1  14  o 5.1070  1.2290 -0.3439000E-01 2.457000  
1 1 1 23 1  15  o 8.2750  1.5920 ?              ?         
1 1 1 23 1  16  o 11.360  1.2480 ?              ?         
1 1 1 23 1  17  o 6.2460  1.8370 ?              ?         
1 1 1 23 1  18  o 11.270  1.2670 ?              ?         
1 1 1 23 1  19  o 7.8170  1.7290 ?              ?         
1 1 1 23 1  20  f 10.500  1.2470 ?              ?         
1 1 1 23 1  35  o 3.4210  1.2330 ?              ?         
1 1 1 23 1  36  o 8.7990  0.7921 ?              ?         
1 1 1 23 1  37  o 2.9240  1.2300 ?              ?         
1 1 1 23 1  38  o 3.9800  1.3100 ?              ?         
1 1 1 23 1  39  o 3.5880  1.3350 ?              ?         
1 1 1 23 1  40  o 6.2390  1.2550 ?              ?         
1 1 1 23 1  41  o 2.8730  0.8262 1.973000       1.652000  
1 1 1 23 1  42  o 8.2410  0.6479 3.736000       1.296000  
1 1 1 23 1  43  o 7.2740  0.7672 -0.4270000     1.534000  
1 1 1 23 1  44  o 4.9410  1.0380 1.803000       2.076000  
1 1 1 23 2  0   o 11.440  0.6033 -0.000000      0.000000  
1 1 1 23 2  1   o 10.780  0.4311 -0.1380000     0.8621000 
1 1 1 23 2  2   o 4.6900  0.8100 -1.135000      1.620000  
1 1 1 23 2  3   o 8.6350  0.4789 -0.2393000     0.9579000 
1 1 1 23 2  4   o 13.310  0.4045 0.3873000      0.8091000 
1 1 1 23 2  5   o 6.5270  0.7985 -1.657000      1.597000  
1 1 1 23 2  6   o 4.1740  1.0810 0.1073000      2.162000  
1 1 1 23 2  7   o 4.2930  1.0730 1.443000       2.146000  
1 1 1 23 2  8   o 9.4210  1.6200 3.383000       3.239000  
1 1 1 23 2  9   o 8.3300  1.5880 2.214000       3.177000  
1 1 1 23 2  10  o 10.870  0.7693 -1.465000      1.539000  
1 1 1 23 2  11  o 7.0800  1.1340 3.034000       2.268000  
1 1 1 23 2  12  o 8.9160  0.9886 0.3705000      1.977000  
1 1 1 23 2  13  o 7.7190  1.1520 0.7656000      2.303000  
1 1 1 23 2  14  o 13.940  0.8526 4.299000       1.705000  
1 1 1 23 2  15  o 13.340  0.8369 -4.168000      1.674000  
1 1 1 23 2  16  o 13.490  0.8653 3.608000       1.731000  
1 1 1 23 2  17  o 10.480  0.9665 -4.102000      1.933000  
1 1 1 23 2  18  o 4.7810  1.9400 ?              ?         
1 1 1 23 2  19  o 7.0560  1.9560 ?              ?         
1 1 1 23 2  20  o 5.6530  2.0000 ?              ?         
1 1 1 23 2  21  o 13.350  1.3670 ?              ?         
1 1 1 23 2  22  o 8.2470  2.0640 ?              ?         
1 1 1 23 2  23  o 12.380  1.7840 ?              ?         
1 1 1 23 2  24  o 5.8820  2.3280 ?              ?         
1 1 1 23 2  25  o 4.6870  2.0880 ?              ?         
1 1 1 23 2  26  o 9.4820  2.1880 ?              ?         
1 1 1 23 2  27  o 7.8840  2.2900 ?              ?         
1 1 1 23 2  28  o 6.4690  2.2930 ?              ?         
1 1 1 23 2  29  o 7.2760  2.3240 ?              ?         
1 1 1 23 2  32  o 5.5340  1.2710 ?              ?         
1 1 1 23 2  33  o 9.4220  0.8211 ?              ?         
1 1 1 23 2  34  o 3.6020  1.3480 ?              ?         
1 1 1 23 2  35  o 5.6900  1.2460 ?              ?         
1 1 1 23 2  36  o 7.3900  1.0020 ?              ?         
1 1 1 23 2  37  o 3.6900  1.3690 ?              ?         
1 1 1 23 2  38  o 8.9300  0.9355 ?              ?         
1 1 1 23 2  39  o 5.5070  1.4510 ?              ?         
1 1 1 23 2  40  o 3.0190  1.3240 ?              ?         
1 1 1 23 2  41  o 7.8830  1.1440 ?              ?         
1 1 1 23 2  42  o 10.010  1.0090 ?              ?         
1 1 1 23 2  43  o 5.2170  0.7595 6.016000       1.519000  
1 1 1 23 2  44  o 3.9980  1.1400 ?              ?         
1 1 1 23 3  0   o 5.2120  1.1430 0.000000       0.000000  
1 1 1 23 3  1   o 10.380  0.4237 1.405000       0.8475000 
1 1 1 23 3  2   o 13.450  0.3981 -0.8183000E-02 0.7963000 
1 1 1 23 3  3   o 9.6600  0.6257 3.966000       1.251000  
1 1 1 23 3  4   o 12.260  0.4894 -0.7178000     0.9788000 
1 1 1 23 3  5   o 5.7850  1.6080 -1.862000      3.217000  
1 1 1 23 3  6   o 7.0960  0.9858 -0.5384000     1.972000  
1 1 1 23 3  7   o 5.3110  1.1310 -1.603000      2.262000  
1 1 1 23 3  8   o 4.8250  1.4600 -0.9503000     2.919000  
1 1 1 23 3  9   o 5.8120  1.3900 1.778000       2.780000  
1 1 1 23 3  10  o 12.550  0.7124 -0.8346000     1.425000  
1 1 1 23 3  11  o 9.5350  0.8820 -3.016000      1.764000  
1 1 1 23 3  12  o 6.9840  1.1840 -0.5004000     2.369000  
1 1 1 23 3  13  o 11.130  0.8421 -0.2469000     1.684000  
1 1 1 23 3  14  o 10.770  0.8950 1.015000       1.790000  
1 1 1 23 3  15  o 5.4230  1.2620 -3.041000      2.524000  
1 1 1 23 3  16  f 7.1210  1.2760 2.328000       2.552000  
1 1 1 23 3  17  o 9.9790  1.1220 3.377000       2.243000  
1 1 1 23 3  18  o 13.020  0.9183 2.772000       1.837000  
1 1 1 23 3  19  o 7.1280  1.3660 1.512000       2.731000  
1 1 1 23 3  20  o 6.3900  1.3680 -2.514000      2.736000  
1 1 1 23 3  21  o 5.8790  2.7800 ?              ?         
1 1 1 23 3  22  o 9.3570  1.8910 ?              ?         
1 1 1 23 3  23  f 16.960  1.2970 ?              ?         
1 1 1 23 3  24  o 6.3670  2.2240 ?              ?         
1 1 1 23 3  25  f 11.630  1.7240 ?              ?         
1 1 1 23 3  26  o 4.7420  2.0630 ?              ?         
1 1 1 23 3  27  o 5.1910  2.2140 ?              ?         
1 1 1 23 3  28  o 4.8000  2.1410 ?              ?         
1 1 1 23 3  29  o 3.5910  1.1410 -0.4353000     2.282000  
1 1 1 23 3  30  o 7.2180  1.3180 -0.8664000     2.637000  
1 1 1 23 3  31  o 7.9220  1.2770 0.6413000      2.554000  
1 1 1 23 3  32  o 6.9660  1.3920 -1.846000      2.784000  
1 1 1 23 3  33  o 8.2080  1.2700 2.835000       2.540000  
1 1 1 23 3  34  o 7.7450  1.2490 3.568000       2.498000  
1 1 1 23 3  35  o 5.0550  1.3540 -1.098000      2.709000  
1 1 1 23 3  36  o 3.4640  1.1420 -1.024000      2.283000  
1 1 1 23 3  37  o 5.8520  1.3670 ?              ?         
1 1 1 23 3  38  o 3.0010  1.3380 ?              ?         
1 1 1 23 3  39  o 3.3650  1.4240 ?              ?         
1 1 1 23 3  40  o 8.2700  1.1380 ?              ?         
1 1 1 23 3  41  o 4.3930  1.5920 ?              ?         
1 1 1 23 3  42  o 5.0020  1.6010 ?              ?         
1 1 1 23 3  43  o 14.030  0.9635 ?              ?         
1 1 1 23 4  0   o 4.8320  1.2400 0.000000       0.000000  
1 1 1 23 4  1   o 6.6880  0.5653 0.5857000      1.131000  
1 1 1 23 4  2   o 8.1640  0.4892 -0.6878000     0.9784000 
1 1 1 23 4  3   o 7.2630  0.7361 0.9752000      1.472000  
1 1 1 23 4  4   o 12.990  0.6613 1.354000       1.323000  
1 1 1 23 4  5   o 13.090  0.6633 -0.5352000     1.327000  
1 1 1 23 4  6   f 9.6790  1.1190 ?              ?         
1 1 1 23 4  7   o 9.8200  0.8081 -2.560000      1.616000  
1 1 1 23 4  8   o 9.0750  1.4850 4.090000       2.971000  
1 1 1 23 4  9   o 10.310  0.7801 -1.094000      1.560000  
1 1 1 23 4  10  o 5.5120  1.4850 0.3854000      2.971000  
1 1 1 23 4  11  o 4.7300  1.1570 -2.520000      2.314000  
1 1 1 23 4  12  o 6.9160  1.2040 -0.1986000E-01 2.407000  
1 1 1 23 4  13  o 14.300  0.7671 1.576000       1.534000  
1 1 1 23 4  14  o 13.410  0.7950 1.905000       1.590000  
1 1 1 23 4  15  o 11.970  0.9055 -4.325000      1.811000  
1 1 1 23 4  16  o 7.8890  1.2220 1.323000       2.443000  
1 1 1 23 4  17  o 8.3090  1.2200 -3.757000      2.440000  
1 1 1 23 4  18  o 6.6690  1.3220 2.605000       2.643000  
1 1 1 23 4  19  o 9.9490  1.1840 2.308000       2.369000  
1 1 1 23 4  20  o 6.8450  1.0950 6.598000       2.191000  
1 1 1 23 4  21  o 11.790  1.0780 2.741000       2.156000  
1 1 1 23 4  22  o 4.4470  1.3200 -0.8502000     2.640000  
1 1 1 23 4  23  o 10.680  1.0750 0.6862000      2.150000  
1 1 1 23 4  24  o 6.4560  2.9890 ?              ?         
1 1 1 23 4  25  o 7.6510  2.2610 ?              ?         
1 1 1 23 4  26  o 13.260  1.6230 ?              ?         
1 1 1 23 4  27  o 5.1790  1.2990 0.8007000      2.599000  
1 1 1 23 4  28  o 12.490  0.9892 0.8014000      1.978000  
1 1 1 23 4  29  o 4.3000  1.1540 1.322000       2.307000  
1 1 1 23 4  30  o 4.2310  1.2870 -1.898000      2.575000  
1 1 1 23 4  31  o 3.4110  1.1350 -1.205000      2.269000  
1 1 1 23 4  32  o 6.4760  1.1200 4.378000       2.239000  
1 1 1 23 4  33  o 3.6320  1.1260 0.2162000      2.253000  
1 1 1 23 4  34  o 6.8850  1.2560 2.403000       2.512000  
1 1 1 23 4  35  o 4.8280  1.3020 -0.1278000     2.605000  
1 1 1 23 4  36  o 8.0750  1.2260 2.319000       2.452000  
1 1 1 23 4  37  o 5.4160  1.2810 0.3996000      2.562000  
1 1 1 23 4  38  o 5.1090  1.1370 2.497000       2.274000  
1 1 1 23 4  39  o 5.8920  1.0450 3.937000       2.090000  
1 1 1 23 4  40  o 3.3700  1.0510 0.1907000      2.102000  
1 1 1 23 4  41  o 8.6710  1.2220 ?              ?         
1 1 1 23 4  42  o 6.1930  1.5780 ?              ?         
1 1 1 23 5  0   o 7.2170  0.7152 0.000000       0.000000  
1 1 1 23 5  1   o 9.9390  0.5664 0.2194000      1.133000  
1 1 1 23 5  2   o 9.8180  0.5721 -0.1520000     1.144000  
1 1 1 23 5  3   o 15.270  0.6323 1.236000       1.265000  
1 1 1 23 5  4   o 13.660  1.0100 ?              ?         
1 1 1 23 5  5   o 10.880  0.7602 0.2603000      1.520000  
1 1 1 23 5  6   o 13.700  0.6646 -1.592000      1.329000  
1 1 1 23 5  7   o 7.5210  1.0230 -1.804000      2.047000  
1 1 1 23 5  8   o 7.2650  1.0630 0.7779000      2.125000  
1 1 1 23 5  9   o 10.950  0.7937 -1.665000      1.587000  
1 1 1 23 5  10  o 5.6500  1.1660 -2.491000      2.332000  
1 1 1 23 5  11  o 7.1850  1.4960 2.095000       2.993000  
1 1 1 23 5  12  o 10.690  0.8325 -0.2583000     1.665000  
1 1 1 23 5  13  o 8.7910  1.0760 -4.845000      2.152000  
1 1 1 23 5  14  o 7.9180  1.1690 -0.8569000     2.338000  
1 1 1 23 5  15  o 9.6830  1.0160 -1.477000      2.033000  
1 1 1 23 5  16  f 7.5590  1.3060 0.4525000      2.612000  
1 1 1 23 5  17  o 12.420  0.8983 0.4563000      1.797000  
1 1 1 23 5  18  o 13.560  0.8798 1.241000       1.760000  
1 1 1 23 5  19  o 7.6650  1.2610 3.911000       2.522000  
1 1 1 23 5  20  o 6.9250  1.3670 -1.875000      2.734000  
1 1 1 23 5  21  o 11.990  1.0350 1.676000       2.070000  
1 1 1 23 5  22  f 4.6800  1.3140 1.214000       2.627000  
1 1 1 23 5  23  o 5.9040  1.4640 -0.3171000     2.928000  
1 1 1 23 5  24  o 10.990  0.9252 -1.670000      1.850000  
1 1 1 23 5  25  o 5.0770  1.3340 -1.255000      2.667000  
1 1 1 23 5  26  o 9.9730  1.0600 -0.9418000     2.119000  
1 1 1 23 5  27  o 9.9680  1.1780 2.258000       2.356000  
1 1 1 23 5  28  f 4.3060  1.2450 0.1319000      2.491000  
1 1 1 23 5  29  f 9.4930  1.2130 -0.2827000     2.427000  
1 1 1 23 5  30  o 15.860  0.8271 -1.464000      1.654000  
1 1 1 23 5  31  o 6.2050  1.2270 2.877000       2.454000  
1 1 1 23 5  32  o 11.910  1.0900 3.666000       2.179000  
1 1 1 23 5  33  o 4.0910  1.2470 -0.8904000     2.494000  
1 1 1 23 5  34  o 4.6120  1.3020 -3.476000      2.604000  
1 1 1 23 5  35  o 5.7230  1.2890 0.6709000      2.578000  
1 1 1 23 5  36  o 3.5920  1.1250 -0.1680000     2.250000  
1 1 1 23 5  37  o 3.3250  1.0710 -0.1380000     2.141000  
1 1 1 23 5  38  o 4.9490  1.1870 1.350000       2.374000  
1 1 1 23 5  39  o 2.9910  0.9857 0.2752000      1.971000  
1 1 1 23 5  40  o 3.1700  1.0430 -0.2019000     2.086000  
1 1 1 23 5  41  f 4.7330  1.6870 ?              ?         
1 1 1 23 6  0   o 20.050  0.7397 -0.000000      0.000000  
1 1 1 23 6  1   f 22.680  0.5576 0.3542000      1.115000  
1 1 1 23 6  2   o 10.780  0.5735 ?              ?         
1 1 1 23 6  3   o 12.100  0.7005 -0.7124000     1.401000  
1 1 1 23 6  4   o 14.390  0.6865 3.362000       1.373000  
1 1 1 23 6  5   o 17.350  0.6763 -1.342000      1.353000  
1 1 1 23 6  6   o 10.940  1.2400 ?              ?         
1 1 1 23 6  7   o 10.300  1.4590 3.600000       2.918000  
1 1 1 23 6  8   o 11.300  0.8090 -1.755000      1.618000  
1 1 1 23 6  9   o 6.2500  1.4320 1.999000       2.864000  
1 1 1 23 6  10  o 7.1050  1.1430 0.3274000      2.287000  
1 1 1 23 6  11  o 8.2210  1.0610 1.135000       2.121000  
1 1 1 23 6  12  o 6.4840  1.5970 0.5145000      3.194000  
1 1 1 23 6  13  o 6.5730  1.2480 1.108000       2.495000  
1 1 1 23 6  14  o 8.8080  1.1000 0.3946000      2.200000  
1 1 1 23 6  15  o 7.5850  1.2130 -3.346000      2.427000  
1 1 1 23 6  16  o 4.5320  1.2820 -0.5252000     2.564000  
1 1 1 23 6  17  o 9.1460  1.1240 1.286000       2.248000  
1 1 1 23 6  18  o 4.5250  1.2680 -2.594000      2.536000  
1 1 1 23 6  19  o 4.6470  1.2830 0.8682000      2.565000  
1 1 1 23 6  20  o 13.790  0.8464 0.5104000E-01  1.693000  
1 1 1 23 6  21  o 4.8190  1.3410 -0.8638000E-01 2.682000  
1 1 1 23 6  22  f 12.690  0.9026 2.498000       1.805000  
1 1 1 23 6  23  o 8.2160  1.2310 1.583000       2.463000  
1 1 1 23 6  24  o 7.0690  1.1430 4.397000       2.287000  
1 1 1 23 6  25  o 7.1640  1.2490 1.335000       2.497000  
1 1 1 23 6  26  o 4.6260  1.2670 -0.7357000     2.534000  
1 1 1 23 6  27  o 7.9530  1.2140 2.452000       2.428000  
1 1 1 23 6  28  o 8.4050  1.1400 -1.149000      2.281000  
1 1 1 23 6  29  o 8.3010  1.5220 3.896000       3.044000  
1 1 1 23 6  30  o 7.3340  1.2590 2.205000       2.518000  
1 1 1 23 6  31  o 5.2840  1.2050 2.383000       2.410000  
1 1 1 23 6  32  o 11.820  1.1750 4.120000       2.350000  
1 1 1 23 6  33  o 5.6990  1.3420 0.6209000      2.685000  
1 1 1 23 6  34  o 7.6920  1.2390 2.885000       2.478000  
1 1 1 23 6  35  o 4.9800  1.2100 1.885000       2.419000  
1 1 1 23 6  36  o 4.7120  1.2390 1.318000       2.477000  
1 1 1 23 6  37  o 3.9020  1.1870 -1.375000      2.373000  
1 1 1 23 6  38  o 3.4320  1.0920 0.7253000E-01  2.183000  
1 1 1 23 6  39  o 3.2890  1.0660 0.5361000      2.132000  
1 1 1 23 6  40  o 4.4440  1.6770 ?              ?         
1 1 1 23 7  0   o 15.230  1.1350 -0.000000      0.000000  
1 1 1 23 7  1   o 19.590  0.6521 -1.573000      1.304000  
1 1 1 23 7  2   o 16.050  0.6641 2.510000       1.328000  
1 1 1 23 7  3   o 20.250  0.6844 -0.9388000E-01 1.369000  
1 1 1 23 7  4   o 12.510  1.1380 ?              ?         
1 1 1 23 7  5   o 17.460  0.6794 0.5662000      1.359000  
1 1 1 23 7  6   o 18.270  0.6895 0.7710000      1.379000  
1 1 1 23 7  7   o 15.900  1.0940 ?              ?         
1 1 1 23 7  8   o 10.440  0.8939 -1.890000      1.788000  
1 1 1 23 7  9   o 7.3930  1.1290 -2.389000      2.257000  
1 1 1 23 7  10  o 5.6220  1.2690 -0.3218000     2.539000  
1 1 1 23 7  11  o 4.7350  1.4320 0.2010000      2.864000  
1 1 1 23 7  12  o 6.4990  1.8420 ?              ?         
1 1 1 23 7  13  o 10.890  0.8890 3.354000       1.778000  
1 1 1 23 7  14  o 7.1350  1.2070 -1.451000      2.415000  
1 1 1 23 7  15  o 6.2520  1.3190 -1.135000      2.637000  
1 1 1 23 7  16  o 5.3050  1.3220 -0.4256000     2.644000  
1 1 1 23 7  17  o 11.150  0.9700 2.196000       1.940000  
1 1 1 23 7  18  o 12.040  0.9375 -0.3412000E-01 1.875000  
1 1 1 23 7  19  o 7.8430  1.1370 1.429000       2.274000  
1 1 1 23 7  20  o 11.000  1.0240 4.272000       2.048000  
1 1 1 23 7  21  o 8.5880  1.1200 -0.4633000     2.240000  
1 1 1 23 7  22  o 9.4310  1.1070 2.889000       2.215000  
1 1 1 23 7  23  o 5.9520  1.2510 0.4523000E-01  2.502000  
1 1 1 23 7  24  o 3.6660  1.1670 -1.435000      2.334000  
1 1 1 23 7  25  o 3.5040  1.1050 -0.2554000     2.210000  
1 1 1 23 7  26  o 8.0480  1.2130 1.970000       2.427000  
1 1 1 23 7  27  o 3.7790  1.1770 -0.5602000     2.354000  
1 1 1 23 7  28  o 6.0100  1.2200 1.925000       2.440000  
1 1 1 23 7  29  o 5.4410  1.3240 -0.1729000     2.649000  
1 1 1 23 7  30  o 4.3010  1.2650 -1.200000      2.530000  
1 1 1 23 7  31  o 3.4990  1.1140 -0.4418000     2.229000  
1 1 1 23 7  32  o 3.8050  1.0790 1.112000       2.158000  
1 1 1 23 7  33  o 3.7640  1.1550 0.3599000      2.309000  
1 1 1 23 7  34  o 4.4740  1.1710 2.111000       2.341000  
1 1 1 23 7  35  o 4.2680  1.2440 -0.1470000     2.488000  
1 1 1 23 7  36  f 4.1650  1.2270 -0.1338000     2.454000  
1 1 1 23 7  37  o 5.2440  1.1860 2.852000       2.373000  
1 1 1 23 7  38  o 5.2810  1.7110 ?              ?         
1 1 1 23 8  0   o 23.040  1.1410 -0.000000      0.000000  
1 1 1 23 8  1   o 16.580  1.0920 ?              ?         
1 1 1 23 8  2   o 20.410  0.8228 -1.482000      1.646000  
1 1 1 23 8  3   o 13.970  0.7299 -2.850000      1.460000  
1 1 1 23 8  4   o 14.530  0.5547 0.5510000      1.109000  
1 1 1 23 8  5   o 13.280  0.7370 -1.245000      1.474000  
1 1 1 23 8  6   o 7.3010  1.1370 -0.7313000     2.273000  
1 1 1 23 8  7   o 6.0690  1.2420 2.203000       2.484000  
1 1 1 23 8  8   o 10.150  0.9170 0.6371000      1.834000  
1 1 1 23 8  9   o 7.3860  1.2150 0.6584000      2.429000  
1 1 1 23 8  10  o 12.560  1.4130 3.400000       2.827000  
1 1 1 23 8  11  o 9.0790  1.5760 0.8467000      3.152000  
1 1 1 23 8  12  o 9.0620  1.4710 4.899000       2.942000  
1 1 1 23 8  13  o 7.8690  1.4170 4.584000       2.835000  
1 1 1 23 8  14  o 9.6200  1.3130 8.973000       2.626000  
1 1 1 23 8  15  o 19.180  0.7874 5.972000       1.575000  
1 1 1 23 8  16  o 23.490  0.8931 -3.279000      1.786000  
1 1 1 23 8  17  o 13.730  0.7254 0.9672000      1.451000  
1 1 1 23 8  18  o 18.380  0.6811 2.431000       1.362000  
1 1 1 23 8  19  o 9.7620  0.9892 -1.624000      1.978000  
1 1 1 23 8  20  o 10.230  0.9956 0.4941000      1.991000  
1 1 1 23 8  21  o 8.7180  1.1530 2.729000       2.307000  
1 1 1 23 8  22  o 4.7200  1.3090 -2.204000      2.617000  
1 1 1 23 8  23  f 6.1210  1.2350 1.282000       2.470000  
1 1 1 23 8  24  o 3.8830  1.1740 -0.2383000     2.348000  
1 1 1 23 8  25  o 4.0710  1.2350 -1.212000      2.470000  
1 1 1 23 8  26  f 3.6480  1.1690 -0.9354000     2.338000  
1 1 1 23 8  27  o 5.8460  1.2890 0.6777000      2.578000  
1 1 1 23 8  28  o 5.2230  1.3220 -0.3462000     2.644000  
1 1 1 23 8  29  o 3.5900  1.1590 -0.9718000     2.318000  
1 1 1 23 8  30  o 5.4610  1.3240 -0.9077000     2.647000  
1 1 1 23 8  31  o 3.4960  1.1410 -1.721000      2.281000  
1 1 1 23 8  32  o 3.4830  1.0940 0.1026000      2.188000  
1 1 1 23 8  33  o 3.5670  1.0960 0.3163000      2.193000  
1 1 1 23 8  34  o 3.7140  1.2360 -0.7425000     2.472000  
1 1 1 23 8  35  o 9.1480  1.1180 4.090000       2.237000  
1 1 1 23 8  36  o 4.2050  1.6940 ?              ?         
1 1 1 23 9  0   o 11.060  1.4100 0.000000       0.000000  
1 1 1 23 9  1   o 13.690  0.8406 1.090000       1.681000  
1 1 1 23 9  2   o 9.6500  1.4430 ?              ?         
1 1 1 23 9  3   f 9.8160  0.7070 -0.9070000     1.414000  
1 1 1 23 9  4   o 14.520  0.5702 1.919000       1.140000  
1 1 1 23 9  5   f 8.2200  1.2040 5.554000       2.407000  
1 1 1 23 9  6   o 17.480  0.5305 -0.4698000E-01 1.061000  
1 1 1 23 9  7   o 10.540  0.8467 -0.6387000E-01 1.693000  
1 1 1 23 9  8   o 11.980  0.7906 0.3465000E-02  1.581000  
1 1 1 23 9  9   o 6.7190  1.6020 -1.428000      3.203000  
1 1 1 23 9  10  o 10.660  0.8987 1.904000       1.797000  
1 1 1 23 9  11  o 10.590  0.8960 2.021000       1.792000  
1 1 1 23 9  12  o 17.710  0.7302 -2.048000      1.460000  
1 1 1 23 9  13  o 9.7500  1.4090 7.997000       2.818000  
1 1 1 23 9  14  o 15.040  1.4620 4.126000       2.923000  
1 1 1 23 9  15  o 8.7340  0.9316 -2.639000      1.863000  
1 1 1 23 9  16  o 13.330  0.7685 2.406000       1.537000  
1 1 1 23 9  17  f 8.5010  1.0360 -1.634000      2.073000  
1 1 1 23 9  18  f 14.890  0.7202 2.378000       1.440000  
1 1 1 23 9  19  o 11.980  0.8502 1.848000       1.700000  
1 1 1 23 9  20  o 12.490  1.0810 3.820000       2.163000  
1 1 1 23 9  21  o 5.3630  1.3000 -1.092000      2.600000  
1 1 1 23 9  22  o 4.1960  1.2270 -0.7998000     2.454000  
1 1 1 23 9  23  o 4.5090  1.2310 0.3742000      2.461000  
1 1 1 23 9  24  o 5.8390  1.2800 0.9686000      2.560000  
1 1 1 23 9  25  o 6.2690  1.1970 2.475000       2.395000  
1 1 1 23 9  26  o 5.7260  1.3440 -1.474000      2.689000  
1 1 1 23 9  27  o 4.2660  1.1230 1.639000       2.247000  
1 1 1 23 9  28  o 4.4690  1.2330 0.6019000E-01  2.466000  
1 1 1 23 9  29  o 3.7050  1.1650 -0.7095000     2.331000  
1 1 1 23 9  30  o 8.0090  1.1640 4.117000       2.329000  
1 1 1 23 9  31  o 5.8060  1.3230 -0.7440000     2.645000  
1 1 1 23 9  32  o 3.4930  1.1200 -0.5721000     2.240000  
1 1 1 23 9  33  o 4.7090  1.2640 1.959000       2.528000  
1 1 1 23 9  34  o 4.3070  1.3320 -1.491000      2.665000  
1 1 1 23 9  35  o 3.1860  1.5670 ?              ?         
1 1 1 23 10 0   f 6.7110  2.1310 -0.000000      0.000000  
1 1 1 23 10 1   o 6.4810  1.1270 5.267000       2.254000  
1 1 1 23 10 2   o 9.9770  1.0890 4.644000       2.178000  
1 1 1 23 10 3   o 13.680  0.5653 -0.4536000     1.131000  
1 1 1 23 10 4   o 14.340  0.8556 1.170000       1.711000  
1 1 1 23 10 5   o 15.840  0.5487 -0.7176000     1.097000  
1 1 1 23 10 6   o 17.860  0.8643 2.626000       1.729000  
1 1 1 23 10 7   o 16.560  0.5715 -0.5090000     1.143000  
1 1 1 23 10 8   o 23.170  0.8964 1.592000       1.793000  
1 1 1 23 10 9   o 16.400  1.1230 ?              ?         
1 1 1 23 10 10  o 17.620  0.7459 -1.134000      1.492000  
1 1 1 23 10 11  o 8.9920  1.5880 -3.409000      3.176000  
1 1 1 23 10 12  o 10.940  0.9321 2.375000       1.864000  
1 1 1 23 10 13  o 6.2200  1.4250 0.8427000      2.850000  
1 1 1 23 10 14  o 4.4650  1.8380 ?              ?         
1 1 1 23 10 15  o 10.520  0.9295 3.532000       1.859000  
1 1 1 23 10 16  o 9.0490  1.5220 4.021000       3.044000  
1 1 1 23 10 17  o 10.130  0.9551 0.4485000      1.910000  
1 1 1 23 10 18  o 18.170  0.6804 2.535000       1.361000  
1 1 1 23 10 19  o 12.040  0.8238 -0.2387000     1.648000  
1 1 1 23 10 20  o 10.030  1.0790 3.586000       2.158000  
1 1 1 23 10 21  o 6.5130  1.2960 3.345000       2.592000  
1 1 1 23 10 22  o 5.2040  1.2710 0.2804000      2.542000  
1 1 1 23 10 23  o 8.9700  1.1730 4.675000       2.346000  
1 1 1 23 10 24  o 4.1360  1.2890 -1.379000      2.579000  
1 1 1 23 10 25  o 4.8170  1.2600 0.5737000      2.520000  
1 1 1 23 10 26  o 8.5460  1.1640 5.054000       2.327000  
1 1 1 23 10 27  o 5.1980  1.3400 -1.616000      2.679000  
1 1 1 23 10 28  o 5.8510  1.0960 3.984000       2.192000  
1 1 1 23 10 29  o 5.4620  1.3610 -0.9421000     2.722000  
1 1 1 23 10 30  o 3.8070  1.1310 1.158000       2.263000  
1 1 1 23 10 31  o 4.4520  2.0490 ?              ?         
1 1 1 23 10 32  o 5.0470  2.2230 ?              ?         
1 1 1 23 10 33  o 4.8880  2.1900 ?              ?         
1 1 1 23 11 0   o 17.590  1.1150 -0.000000      0.000000  
1 1 1 23 11 1   f 13.900  0.8212 1.240000       1.642000  
1 1 1 23 11 2   o 15.680  0.7612 ?              ?         
1 1 1 23 11 3   o 13.910  1.1850 ?              ?         
1 1 1 23 11 4   o 9.2580  0.7661 -1.517000      1.532000  
1 1 1 23 11 5   o 7.7740  1.2380 0.3317000      2.475000  
1 1 1 23 11 6   o 8.6280  0.8426 0.2482000      1.685000  
1 1 1 23 11 7   o 8.1170  1.3150 1.624000       2.630000  
1 1 1 23 11 8   o 11.580  1.2830 2.897000       2.566000  
1 1 1 23 11 9   o 16.650  0.5808 -1.128000      1.162000  
1 1 1 23 11 10  o 9.6930  1.3710 5.385000       2.741000  
1 1 1 23 11 11  o 9.4850  0.8737 -0.9484000     1.747000  
1 1 1 23 11 12  o 8.3330  1.4810 2.156000       2.962000  
1 1 1 23 11 13  f 5.8500  1.2420 0.9032000      2.484000  
1 1 1 23 11 14  o 8.1470  1.4960 1.738000       2.992000  
1 1 1 23 11 15  o 7.5370  1.4170 3.039000       2.833000  
1 1 1 23 11 16  o 9.1640  1.0630 2.921000       2.126000  
1 1 1 23 11 17  o 6.3660  1.4590 1.077000       2.918000  
1 1 1 23 11 18  o 5.9190  1.2870 -1.106000      2.573000  
1 1 1 23 11 19  o 4.5410  1.3450 -0.6853000E-01 2.690000  
1 1 1 23 11 20  o 4.1910  1.1800 0.4178000      2.360000  
1 1 1 23 11 21  o 3.8170  1.1550 -0.8215000E-01 2.310000  
1 1 1 23 11 22  o 5.9770  1.3010 0.2724000      2.602000  
1 1 1 23 11 23  o 5.2830  1.1370 2.735000       2.275000  
1 1 1 23 11 24  o 8.9730  1.2960 7.353000       2.591000  
1 1 1 23 11 25  o 5.4120  1.3540 -2.209000      2.709000  
1 1 1 23 11 26  o 5.2910  1.2510 1.642000       2.502000  
1 1 1 23 11 27  o 3.7370  1.2100 0.3464000E-01  2.420000  
1 1 1 23 11 28  o 3.8330  1.7770 ?              ?         
1 1 1 23 11 29  o 5.8650  2.4370 ?              ?         
1 1 1 23 12 0   o 5.7690  2.3350 -0.000000      0.000000  
1 1 1 23 12 1   o 4.2410  1.2710 -0.6487000     2.541000  
1 1 1 23 12 2   o 4.0310  1.1800 0.2592000      2.359000  
1 1 1 23 12 3   o 7.0380  1.1590 3.151000       2.317000  
1 1 1 23 12 4   o 10.280  1.5800 ?              ?         
1 1 1 23 12 5   o 13.560  0.6576 1.114000       1.315000  
1 1 1 23 12 6   o 8.1850  1.2530 3.878000       2.507000  
1 1 1 23 12 7   f 8.6240  1.2880 3.989000       2.576000  
1 1 1 23 12 8   o 5.5960  1.1340 0.9772000      2.268000  
1 1 1 23 12 9   o 4.9570  1.0990 0.3862000      2.198000  
1 1 1 23 12 10  o 7.2100  1.3110 2.035000       2.622000  
1 1 1 23 12 11  o 9.1000  1.3560 -1.172000      2.712000  
1 1 1 23 12 12  o 5.7170  1.1310 -0.5417000     2.262000  
1 1 1 23 12 13  o 5.9530  1.4450 0.5986000      2.891000  
1 1 1 23 12 14  o 4.1200  1.2850 0.1308000E-01  2.570000  
1 1 1 23 12 15  o 6.0830  1.1190 3.478000       2.237000  
1 1 1 23 12 16  o 5.2990  1.2770 -1.484000      2.554000  
1 1 1 23 12 17  o 3.9530  1.2450 -0.1814000     2.490000  
1 1 1 23 12 18  f 5.4460  1.1140 3.642000       2.227000  
1 1 1 23 12 19  o 3.5840  1.1270 -0.2131000     2.254000  
1 1 1 23 12 20  o 5.9680  1.1690 2.881000       2.338000  
1 1 1 23 12 21  o 5.3360  1.1950 3.088000       2.390000  
1 1 1 23 12 22  o 6.8470  1.2670 1.019000       2.533000  
1 1 1 23 12 23  o 6.7180  2.1410 ?              ?         
1 1 1 23 12 24  o 5.0800  2.0550 ?              ?         
1 1 1 23 12 25  o 3.9560  1.9570 ?              ?         
1 1 1 23 13 0   o 4.3310  2.1070 0.000000       0.000000  
1 1 1 23 13 1   o 5.3050  1.3800 0.7120000      2.759000  
1 1 1 23 13 2   o 6.3200  1.2630 2.390000       2.527000  
1 1 1 23 13 3   o 10.610  1.0880 2.757000       2.176000  
1 1 1 23 13 4   o 6.1710  1.1750 1.792000       2.350000  
1 1 1 23 13 5   o 5.5170  1.2390 1.935000       2.478000  
1 1 1 23 13 6   o 9.9370  1.1320 1.647000       2.264000  
1 1 1 23 13 7   o 16.560  0.5920 1.862000       1.184000  
1 1 1 23 13 8   o 12.070  0.6934 -0.2161000     1.387000  
1 1 1 23 13 9   o 12.120  1.1890 2.228000       2.377000  
1 1 1 23 13 10  o 9.9880  0.7706 -1.931000      1.541000  
1 1 1 23 13 11  o 5.4660  1.1590 2.063000       2.317000  
1 1 1 23 13 12  o 5.5270  1.1820 1.831000       2.365000  
1 1 1 23 13 13  o 6.6210  1.2830 2.070000       2.566000  
1 1 1 23 13 14  o 9.2950  1.0250 1.500000       2.050000  
1 1 1 23 13 15  o 5.8920  1.2550 2.860000       2.510000  
1 1 1 23 13 16  o 4.5230  1.4340 0.7263000      2.867000  
1 1 1 23 13 17  o 5.2130  2.3350 ?              ?         
1 1 1 23 13 18  o 6.8810  2.6720 ?              ?         
1 1 1 23 13 19  o 3.5800  1.7860 ?              ?         
1 1 1 23 13 20  o 2.9910  1.5260 ?              ?         
1 1 1 23 14 0   o 4.2960  2.4530 0.000000       0.000000  
1 1 1 23 14 1   o 5.3910  1.7090 ?              ?         
1 1 1 23 14 2   o 6.9770  1.8590 ?              ?         
1 1 1 23 14 3   o 6.2110  1.6120 ?              ?         
1 1 1 23 14 5   o 11.820  0.9492 ?              ?         
1 1 1 23 14 6   o 6.7140  2.0540 ?              ?         
1 1 1 23 14 7   o 4.8070  2.0050 ?              ?         
1 1 1 24 0  0   f 26.310  1.1650 0.000000       0.000000  
1 1 1 24 0  2   o 20.880  0.6918 0.000000       0.000000  
1 1 1 24 0  3   o 13.700  0.6504 -0.000000      0.000000  
1 1 1 24 0  4   o 14.170  0.9749 -0.000000      0.000000  
1 1 1 24 0  5   o 14.940  0.9394 0.000000       0.000000  
1 1 1 24 0  6   f 2.5440  1.6270 0.000000       0.000000  
1 1 1 24 0  7   o 4.7280  1.9630 0.000000       0.000000  
1 1 1 24 0  8   o 4.9640  1.9260 0.000000       0.000000  
1 1 1 24 0  9   o 2.1340  1.4450 0.000000       0.000000  
1 1 1 24 0  10  o 5.8680  1.2540 0.000000       0.000000  
1 1 1 24 0  11  o 3.6040  1.6240 0.000000       0.000000  
1 1 1 24 0  12  o 12.380  1.0410 0.000000       0.000000  
1 1 1 24 0  13  o 12.010  1.0670 0.000000       0.000000  
1 1 1 24 1  0   o 6.9220  0.9626 0.000000       0.000000  
1 1 1 24 1  1   f 12.910  0.4371 -0.4145000     0.8743000 
1 1 1 24 1  2   o 7.2360  0.6586 -0.8173000E-01 1.317000  
1 1 1 24 1  3   o 8.0790  0.5959 -1.042000      1.192000  
1 1 1 24 1  4   o 9.1740  0.7903 -1.145000      1.581000  
1 1 1 24 1  5   o 10.410  0.7223 1.068000       1.445000  
1 1 1 24 1  6   o 8.4220  0.8539 -1.455000      1.708000  
1 1 1 24 1  7   o 16.390  0.6204 -0.8031000     1.241000  
1 1 1 24 1  8   o 8.5010  0.8693 0.5188000      1.739000  
1 1 1 24 1  9   o 13.720  0.6810 0.4073000      1.362000  
1 1 1 24 1  10  o 10.830  0.6607 1.074000       1.321000  
1 1 1 24 1  11  f 19.110  0.6367 0.6065000      1.273000  
1 1 1 24 1  12  f 10.770  0.8770 -3.262000      1.754000  
1 1 1 24 1  13  o 18.250  0.7646 0.4015000      1.529000  
1 1 1 24 1  14  o 6.1890  1.2700 -0.9316000     2.540000  
1 1 1 24 1  15  o 9.5640  1.3130 ?              ?         
1 1 1 24 1  16  o 11.060  0.8463 2.114000       1.693000  
1 1 1 24 1  17  o 5.6890  1.7110 ?              ?         
1 1 1 24 2  0   o 3.9390  1.5540 -0.000000      0.000000  
1 1 1 24 2  1   o 8.2830  0.5471 0.3541000      1.094000  
1 1 1 24 2  2   o 7.6040  0.6011 0.8203000E-02  1.202000  
1 1 1 24 2  3   o 16.390  0.5079 -0.9739000E-01 1.016000  
1 1 1 24 2  4   o 5.6140  1.0470 0.9023000E-01  2.094000  
1 1 1 24 2  5   o 8.9210  0.7331 -0.7240000     1.466000  
1 1 1 24 2  6   o 8.4550  0.8580 1.221000       1.716000  
1 1 1 24 2  7   o 7.8430  0.9353 0.7755000      1.871000  
1 1 1 24 2  8   o 10.840  0.7351 0.7967000      1.470000  
1 1 1 24 2  9   o 6.3620  1.5780 0.9274000E-01  3.157000  
1 1 1 24 2  10  o 7.4300  1.5370 1.931000       3.074000  
1 1 1 24 2  11  o 7.8790  1.0640 -2.351000      2.127000  
1 1 1 24 2  12  o 10.500  0.9282 2.364000       1.856000  
1 1 1 24 2  13  o 13.110  0.7617 0.5354000E-01  1.523000  
1 1 1 24 2  14  o 10.910  0.8662 0.2565000      1.732000  
1 1 1 24 2  15  o 19.730  0.7701 3.081000       1.540000  
1 1 1 24 2  16  o 6.5170  1.3590 -2.076000      2.719000  
1 1 1 24 2  17  o 16.350  0.8241 2.143000       1.648000  
1 1 1 24 2  18  o 9.2370  1.3660 ?              ?         
1 1 1 24 2  19  o 9.5820  1.0870 -3.349000      2.173000  
1 1 1 24 2  20  o 9.7050  1.7220 ?              ?         
1 1 1 24 2  21  o 3.6010  1.6610 ?              ?         
1 1 1 24 2  22  o 4.1620  1.8150 ?              ?         
1 1 1 24 2  23  o 4.3220  1.8520 ?              ?         
1 1 1 24 2  24  o 3.5180  1.6440 ?              ?         
1 1 1 24 2  25  o 4.7850  1.8960 ?              ?         
1 1 1 24 2  26  o 3.1010  1.4560 ?              ?         
1 1 1 24 2  27  o 4.0940  1.6540 ?              ?         
1 1 1 24 3  0   o 6.7740  0.9239 -0.000000      0.000000  
1 1 1 24 3  1   o 11.710  0.4318 -0.3556000     0.8635000 
1 1 1 24 3  2   f 10.520  0.4573 0.7334000      0.9145000 
1 1 1 24 3  3   o 9.3470  0.6800 0.8406000      1.360000  
1 1 1 24 3  4   o 10.040  0.7401 0.2474000      1.480000  
1 1 1 24 3  5   o 10.780  0.6592 -1.685000      1.318000  
1 1 1 24 3  6   o 10.130  0.6920 0.1046000      1.384000  
1 1 1 24 3  7   o 5.1800  1.3810 1.473000       2.762000  
1 1 1 24 3  8   o 8.9050  1.6640 0.8601000      3.328000  
1 1 1 24 3  9   f 5.5460  1.5310 0.2032000      3.062000  
1 1 1 24 3  10  o 6.6260  1.3730 3.408000       2.746000  
1 1 1 24 3  11  o 12.110  1.6270 7.952000       3.254000  
1 1 1 24 3  12  o 10.250  1.2070 ?              ?         
1 1 1 24 3  13  o 13.960  0.7979 1.804000       1.596000  
1 1 1 24 3  14  o 11.140  0.8749 -0.6834000     1.750000  
1 1 1 24 3  15  o 5.5780  1.2490 1.989000       2.498000  
1 1 1 24 3  16  o 10.070  0.9608 0.8087000E-01  1.922000  
1 1 1 24 3  17  o 10.330  1.0820 4.639000       2.165000  
1 1 1 24 3  18  o 8.0420  1.2220 2.940000       2.443000  
1 1 1 24 3  19  o 4.3280  1.2550 0.2790000      2.510000  
1 1 1 24 3  20  o 4.3010  1.2570 -0.6376000     2.514000  
1 1 1 24 3  21  o 3.4540  1.1250 -0.1291000     2.249000  
1 1 1 24 3  22  o 4.1460  1.8520 ?              ?         
1 1 1 24 3  23  f 3.8890  1.7820 ?              ?         
1 1 1 24 3  24  f 4.1660  1.8370 ?              ?         
1 1 1 24 3  25  o 4.7340  1.9350 ?              ?         
1 1 1 24 3  26  o 3.4990  1.6130 ?              ?         
1 1 1 24 3  27  f 2.9780  1.4240 ?              ?         
1 1 1 24 3  28  o 4.2810  1.6930 ?              ?         
1 1 1 24 3  29  o 6.6640  1.5730 ?              ?         
1 1 1 24 3  30  o 4.5610  1.6590 ?              ?         
1 1 1 24 4  0   o 8.1690  0.7369 -0.000000      0.000000  
1 1 1 24 4  1   o 3.4110  0.8785 -0.3965000     1.757000  
1 1 1 24 4  2   o 6.9000  0.5755 1.001000       1.151000  
1 1 1 24 4  3   o 6.8110  0.8810 3.334000       1.762000  
1 1 1 24 4  4   o 13.660  0.5967 0.1425000      1.193000  
1 1 1 24 4  5   o 7.9670  1.0010 -2.168000      2.002000  
1 1 1 24 4  6   o 4.6630  1.3030 1.149000       2.606000  
1 1 1 24 4  7   f 4.5170  1.3050 1.036000       2.610000  
1 1 1 24 4  8   o 8.1590  1.0130 -0.4160000     2.027000  
1 1 1 24 4  9   o 5.0430  1.4670 -0.2115000     2.933000  
1 1 1 24 4  10  o 10.980  1.5780 5.209000       3.156000  
1 1 1 24 4  11  o 14.120  0.7484 1.045000       1.497000  
1 1 1 24 4  12  o 12.990  1.6130 7.076000       3.225000  
1 1 1 24 4  13  o 10.710  0.9130 -2.745000      1.826000  
1 1 1 24 4  14  o 5.2570  1.2900 1.293000       2.580000  
1 1 1 24 4  15  o 12.170  0.8859 2.710000       1.772000  
1 1 1 24 4  16  o 5.2390  1.3320 -0.4250000     2.664000  
1 1 1 24 4  17  o 4.2440  1.2150 0.9679000      2.430000  
1 1 1 24 4  18  o 13.310  0.8493 0.9396000      1.699000  
1 1 1 24 4  19  o 5.4710  1.3650 -2.554000      2.729000  
1 1 1 24 4  20  o 12.480  0.9836 3.033000       1.967000  
1 1 1 24 4  21  o 5.7990  1.4260 -0.2523000     2.852000  
1 1 1 24 4  22  o 4.7530  1.3520 0.4600000      2.705000  
1 1 1 24 4  23  o 6.0540  1.4120 0.4425000      2.823000  
1 1 1 24 4  24  o 3.5370  1.1440 0.6702000      2.289000  
1 1 1 24 4  25  o 3.2740  1.5550 ?              ?         
1 1 1 24 4  26  o 2.4670  1.2340 ?              ?         
1 1 1 24 4  27  o 3.9190  1.7060 ?              ?         
1 1 1 24 4  28  o 3.4170  1.5720 ?              ?         
1 1 1 24 4  29  o 4.7350  1.2310 1.090000       2.461000  
1 1 1 24 4  30  o 8.3790  1.0850 0.2920000      2.171000  
1 1 1 24 4  31  f 4.7090  1.8400 ?              ?         
1 1 1 24 5  0   o 11.850  0.5863 -0.000000      0.000000  
1 1 1 24 5  1   o 7.3710  0.5645 2.241000       1.129000  
1 1 1 24 5  2   o 9.9440  0.4228 -0.9214000     0.8456000 
1 1 1 24 5  3   o 10.520  0.8140 -1.581000      1.628000  
1 1 1 24 5  4   o 6.3220  1.0520 -4.140000      2.103000  
1 1 1 24 5  5   f 10.280  1.2120 ?              ?         
1 1 1 24 5  6   o 8.8060  0.9371 -0.8398000     1.874000  
1 1 1 24 5  7   o 10.450  0.8437 3.078000       1.687000  
1 1 1 24 5  8   o 14.780  0.6954 0.8175000      1.391000  
1 1 1 24 5  9   o 11.220  1.4820 7.067000       2.963000  
1 1 1 24 5  10  o 16.950  1.2680 5.179000       2.537000  
1 1 1 24 5  11  o 4.0490  1.3400 -1.108000      2.679000  
1 1 1 24 5  12  o 6.1490  1.2250 1.361000       2.450000  
1 1 1 24 5  13  o 4.5130  1.3720 0.1657000      2.744000  
1 1 1 24 5  14  o 3.2810  1.0450 1.334000       2.089000  
1 1 1 24 5  15  o 5.8340  1.3280 0.1000000      2.655000  
1 1 1 24 5  16  o 12.050  0.9589 4.101000       1.918000  
1 1 1 24 5  17  o 12.280  0.9203 3.130000       1.841000  
1 1 1 24 5  18  o 10.530  1.0260 -0.9304000     2.052000  
1 1 1 24 5  19  o 9.6900  1.1670 4.646000       2.334000  
1 1 1 24 5  20  o 7.3900  1.3400 -1.394000      2.681000  
1 1 1 24 5  21  o 4.6260  1.3330 -0.9487000     2.665000  
1 1 1 24 5  22  o 4.9180  1.3500 0.5798000      2.700000  
1 1 1 24 5  23  o 4.7040  1.3100 1.504000       2.621000  
1 1 1 24 5  24  o 3.4900  1.1390 -0.8074000     2.278000  
1 1 1 24 5  25  o 7.8550  1.2640 2.656000       2.527000  
1 1 1 24 5  26  o 4.0900  1.3470 -2.021000      2.694000  
1 1 1 24 5  27  f 5.1680  1.1930 -0.8474000     2.385000  
1 1 1 24 5  28  o 3.6860  1.1310 -0.1402000     2.261000  
1 1 1 24 5  29  o 3.3330  1.0530 0.1820000      2.106000  
1 1 1 24 6  0   o 13.120  0.8307 0.000000       0.000000  
1 1 1 24 6  1   o 9.4120  0.6692 1.861000       1.338000  
1 1 1 24 6  2   o 11.160  0.5613 -0.7451000     1.123000  
1 1 1 24 6  3   o 9.0870  0.9368 1.257000       1.874000  
1 1 1 24 6  4   o 9.9670  0.8667 -2.300000      1.733000  
1 1 1 24 6  5   o 7.7100  1.3410 4.431000       2.683000  
1 1 1 24 6  6   o 12.050  0.7542 0.5858000      1.508000  
1 1 1 24 6  7   o 6.4670  1.4180 1.731000       2.836000  
1 1 1 24 6  8   o 7.5730  1.1320 -1.768000      2.264000  
1 1 1 24 6  9   o 6.9590  1.3270 3.423000       2.655000  
1 1 1 24 6  10  o 10.160  0.8603 0.1715000      1.721000  
1 1 1 24 6  11  o 5.7970  1.5140 0.2978000      3.028000  
1 1 1 24 6  12  o 14.840  0.7511 1.564000       1.502000  
1 1 1 24 6  13  o 9.8470  0.9445 -1.738000      1.889000  
1 1 1 24 6  14  o 13.740  1.6120 7.716000       3.224000  
1 1 1 24 6  15  o 7.7480  1.2230 -1.205000      2.446000  
1 1 1 24 6  16  o 10.0000 1.0560 2.094000       2.112000  
1 1 1 24 6  17  o 6.3650  1.3720 0.5380000      2.744000  
1 1 1 24 6  18  o 5.0830  1.3360 0.3383000      2.672000  
1 1 1 24 6  19  o 6.7930  1.3390 1.499000       2.677000  
1 1 1 24 6  20  o 6.2170  1.3760 -0.1826000     2.751000  
1 1 1 24 6  21  f 7.8820  1.2170 4.807000       2.433000  
1 1 1 24 6  22  o 12.350  0.9300 2.160000       1.860000  
1 1 1 24 6  23  o 4.1090  1.2410 -0.5433000     2.482000  
1 1 1 24 6  24  o 7.5660  1.2340 4.449000       2.468000  
1 1 1 24 6  25  o 5.4450  1.1950 1.031000       2.391000  
1 1 1 24 6  26  o 4.7720  1.1210 2.183000       2.241000  
1 1 1 24 6  27  o 5.4000  1.2610 1.000000       2.523000  
1 1 1 24 6  28  o 4.5020  1.9330 ?              ?         
1 1 1 24 7  0   o 4.0930  2.2130 -0.000000      0.000000  
1 1 1 24 7  1   o 7.3870  1.0530 2.793000       2.107000  
1 1 1 24 7  2   o 9.3660  0.8603 0.1317000      1.721000  
1 1 1 24 7  3   o 6.8810  1.3840 1.832000       2.768000  
1 1 1 24 7  4   o 10.270  0.9137 -3.122000      1.827000  
1 1 1 24 7  5   o 6.8220  1.1730 0.6564000      2.347000  
1 1 1 24 7  6   o 6.9900  1.1520 2.588000       2.304000  
1 1 1 24 7  7   o 10.320  0.9210 3.539000       1.842000  
1 1 1 24 7  8   o 13.710  1.3560 3.970000       2.713000  
1 1 1 24 7  9   o 5.5740  1.5160 -0.3154000E-01 3.031000  
1 1 1 24 7  10  o 9.8920  0.9014 1.068000       1.803000  
1 1 1 24 7  11  o 4.7750  1.2520 -1.420000      2.503000  
1 1 1 24 7  12  o 4.8730  1.7890 ?              ?         
1 1 1 24 7  13  o 6.9980  1.4700 2.654000       2.939000  
1 1 1 24 7  14  o 7.4990  1.2410 2.256000       2.483000  
1 1 1 24 7  15  o 6.2000  1.2780 2.671000       2.556000  
1 1 1 24 7  16  o 10.470  1.0370 1.797000       2.073000  
1 1 1 24 7  17  o 4.7830  1.3220 -1.416000      2.645000  
1 1 1 24 7  18  o 10.090  1.0920 2.577000       2.185000  
1 1 1 24 7  19  o 4.2850  1.2570 -1.465000      2.514000  
1 1 1 24 7  20  o 8.1720  1.1470 7.103000       2.294000  
1 1 1 24 7  21  o 7.5570  1.2800 2.077000       2.561000  
1 1 1 24 7  22  o 4.2100  0.9810 3.033000       1.962000  
1 1 1 24 7  23  f 12.220  0.8652 3.564000       1.730000  
1 1 1 24 7  24  o 8.2790  1.1370 3.768000       2.274000  
1 1 1 24 7  25  o 3.8560  1.2180 -1.448000      2.435000  
1 1 1 24 7  26  o 5.4740  2.1700 ?              ?         
1 1 1 24 7  27  o 5.2260  2.1310 ?              ?         
1 1 1 24 7  28  o 3.5670  1.6980 ?              ?         
1 1 1 24 8  0   o 4.8230  2.2630 0.000000       0.000000  
1 1 1 24 8  1   o 8.1160  1.7140 ?              ?         
1 1 1 24 8  2   o 9.6320  0.8720 1.453000       1.744000  
1 1 1 24 8  3   o 9.0800  0.9478 -1.819000      1.896000  
1 1 1 24 8  4   o 11.820  0.7958 -1.097000      1.592000  
1 1 1 24 8  5   o 5.8190  1.2010 -2.768000      2.402000  
1 1 1 24 8  6   o 3.6220  1.2020 -0.5839000     2.405000  
1 1 1 24 8  7   o 4.4880  1.3170 0.6835000      2.634000  
1 1 1 24 8  8   o 6.1160  1.4450 1.741000       2.890000  
1 1 1 24 8  9   o 4.8620  1.3690 1.473000       2.739000  
1 1 1 24 8  10  o 7.1410  1.4450 3.492000       2.890000  
1 1 1 24 8  11  o 4.3370  1.2480 0.1765000E-02  2.497000  
1 1 1 24 8  12  o 6.9120  1.4090 3.499000       2.818000  
1 1 1 24 8  13  o 6.3810  1.1220 -5.292000      2.244000  
1 1 1 24 8  14  o 3.7940  1.1820 0.2227000      2.364000  
1 1 1 24 8  15  o 4.1490  1.2400 0.5559000      2.480000  
1 1 1 24 8  16  o 5.4610  1.2670 3.317000       2.533000  
1 1 1 24 8  17  o 6.0290  1.4020 0.4534000      2.805000  
1 1 1 24 8  18  o 5.2080  1.3320 -0.2328000     2.664000  
1 1 1 24 8  19  o 9.6400  1.0920 1.425000       2.184000  
1 1 1 24 8  20  o 5.6810  1.2030 1.101000       2.405000  
1 1 1 24 8  21  o 4.6190  1.2360 0.2728000      2.472000  
1 1 1 24 8  22  o 7.0030  1.3640 3.369000       2.728000  
1 1 1 24 8  23  o 7.6020  2.2560 ?              ?         
1 1 1 24 8  24  o 3.2420  1.5930 ?              ?         
1 1 1 24 8  25  o 6.4620  2.3520 ?              ?         
1 1 1 24 9  0   o 5.6370  2.3180 0.000000       0.000000  
1 1 1 24 9  1   f 7.1000  1.3300 2.303000       2.660000  
1 1 1 24 9  2   o 3.7180  1.1760 -1.730000      2.351000  
1 1 1 24 9  3   o 7.1200  0.9819 1.960000       1.964000  
1 1 1 24 9  4   o 5.5730  1.1860 1.029000       2.373000  
1 1 1 24 9  5   o 5.6640  1.2960 2.421000       2.592000  
1 1 1 24 9  6   o 11.640  0.8995 -1.457000      1.799000  
1 1 1 24 9  7   o 7.1970  1.3260 4.476000       2.652000  
1 1 1 24 9  8   o 10.810  0.9253 0.3666000      1.851000  
1 1 1 24 9  9   o 9.8380  0.9932 -1.005000      1.986000  
1 1 1 24 9  10  o 4.8730  1.4050 1.071000       2.810000  
1 1 1 24 9  11  o 4.6030  1.4450 -0.8725000     2.891000  
1 1 1 24 9  12  o 4.3100  1.3280 0.5142000      2.656000  
1 1 1 24 9  13  o 4.3430  1.2500 2.166000       2.499000  
1 1 1 24 9  14  f 5.3220  1.3300 2.939000       2.661000  
1 1 1 24 9  15  o 4.6900  1.4030 0.7333000      2.806000  
1 1 1 24 9  16  o 8.6320  1.4570 4.324000       2.915000  
1 1 1 24 9  17  o 9.6680  1.1640 2.463000       2.327000  
1 1 1 24 9  18  o 10.320  1.0930 -0.8389000     2.185000  
1 1 1 24 9  19  o 4.3940  1.8570 ?              ?         
1 1 1 24 9  21  f 4.7650  2.0720 ?              ?         
1 1 1 24 10 0   o 6.2470  2.4140 -0.000000      0.000000  
1 1 1 24 10 1   o 6.6470  1.3970 -1.630000      2.795000  
1 1 1 24 10 2   o 5.3590  1.3940 -2.408000      2.787000  
1 1 1 24 10 3   o 5.8720  1.3320 ?              ?         
1 1 1 24 10 4   o 5.8890  0.9939 3.509000       1.988000  
1 1 1 24 10 5   o 9.0490  1.2460 2.859000       2.492000  
1 1 1 24 10 6   f 4.5770  1.0130 1.596000       2.025000  
1 1 1 24 10 7   f 4.1720  1.2990 1.054000       2.598000  
1 1 1 24 10 8   o 4.7520  1.2770 -1.476000      2.553000  
1 1 1 24 10 9   o 5.0510  1.3890 1.648000       2.778000  
1 1 1 24 10 10  o 3.6500  1.1610 1.307000       2.322000  
1 1 1 24 10 11  o 6.2050  1.3050 3.903000       2.610000  
1 1 1 24 10 12  o 5.1040  1.4770 1.018000       2.955000  
1 1 1 24 10 13  o 7.0590  1.6050 1.381000       3.210000  
1 1 1 24 10 14  o 5.7990  2.4470 ?              ?         
1 1 1 24 10 15  o 3.9960  1.9300 ?              ?         
1 1 1 24 10 16  o 4.0400  1.9540 ?              ?         
1 1 1 24 10 17  o 3.1430  1.5900 ?              ?         
1 1 1 24 11 3   o 8.9960  1.2520 ?              ?         
1 1 1 25 0  1   o 10.990  0.6952 0.000000       0.000000  
1 1 1 25 0  2   o 7.7250  0.9726 0.000000       0.000000  
1 1 1 25 0  3   o 12.470  0.9653 0.000000       0.000000  
1 1 1 25 0  4   o 2.5650  1.6410 -0.000000      0.000000  
1 1 1 25 0  5   o 4.3570  2.0410 -0.000000      0.000000  
1 1 1 25 0  6   o 6.4880  1.7420 -0.000000      0.000000  
1 1 1 25 0  7   o 6.4750  1.3440 0.000000       0.000000  
1 1 1 25 0  9   o 3.4420  1.6610 0.000000       0.000000  
1 1 1 25 0  10  o 2.2580  1.3160 0.000000       0.000000  
1 1 1 25 0  11  o 4.8340  1.4550 0.000000       0.000000  
1 1 1 25 0  12  o 20.650  1.0700 0.000000       0.000000  
1 1 1 25 0  13  o 3.3500  1.9930 0.000000       0.000000  
1 1 1 25 0  14  o 4.2810  2.1830 0.000000       0.000000  
1 1 1 25 0  15  o 5.8960  2.1310 0.000000       0.000000  
1 1 1 25 1  0   o 1.8410  1.2180 0.000000       0.000000  
1 1 1 25 1  1   o 5.7320  0.7852 2.016000       1.570000  
1 1 1 25 1  2   o 6.4940  0.8451 -1.439000      1.690000  
1 1 1 25 1  3   o 6.1460  0.9647 -3.183000      1.929000  
1 1 1 25 1  4   f 8.1420  1.1130 ?              ?         
1 1 1 25 1  5   o 7.8670  1.3010 ?              ?         
1 1 1 25 1  6   o 10.850  1.0810 ?              ?         
1 1 1 25 1  7   o 12.550  0.9921 ?              ?         
1 1 1 25 1  8   o 4.2580  1.1350 1.204000       2.269000  
1 1 1 25 1  9   o 3.9260  1.1080 -0.8093000     2.215000  
1 1 1 25 1  10  o 10.670  0.7976 1.729000       1.595000  
1 1 1 25 1  11  o 7.1570  0.9603 -0.4416000     1.921000  
1 1 1 25 1  12  o 3.8820  1.0550 -1.013000      2.110000  
1 1 1 25 1  13  o 8.8110  0.8191 1.050000       1.638000  
1 1 1 25 1  14  o 6.0220  1.1600 2.703000       2.320000  
1 1 1 25 1  15  o 3.9820  1.1260 1.683000       2.252000  
1 1 1 25 1  16  o 3.0580  1.4560 ?              ?         
1 1 1 25 2  0   f 6.1650  1.0560 -0.000000      0.000000  
1 1 1 25 2  1   o 7.8190  0.6787 1.484000       1.357000  
1 1 1 25 2  2   o 4.2340  1.0000 1.613000       2.001000  
1 1 1 25 2  3   o 7.6560  1.0800 ?              ?         
1 1 1 25 2  5   o 10.580  0.7168 -0.5197000     1.434000  
1 1 1 25 2  6   o 8.9950  0.8210 2.773000       1.642000  
1 1 1 25 2  7   f 5.6170  1.7540 ?              ?         
1 1 1 25 2  8   o 3.9790  1.1200 1.316000       2.241000  
1 1 1 25 2  9   o 12.070  1.1070 ?              ?         
1 1 1 25 2  10  o 3.5510  1.0580 -0.5018000     2.116000  
1 1 1 25 2  11  o 4.2210  1.1530 1.662000       2.307000  
1 1 1 25 2  12  o 3.7320  1.0970 1.664000       2.194000  
1 1 1 25 2  13  f 3.6480  1.1190 1.159000       2.238000  
1 1 1 25 2  14  o 7.5300  1.1630 3.653000       2.326000  
1 1 1 25 2  15  o 6.6030  1.2600 0.4854000      2.519000  
1 1 1 25 2  16  o 8.3630  1.4800 ?              ?         
1 1 1 25 3  0   o 9.5490  0.6726 0.000000       0.000000  
1 1 1 25 3  1   o 7.7890  0.5553 -0.9098000     1.111000  
1 1 1 25 3  2   o 8.6270  0.7837 -0.4200000     1.567000  
1 1 1 25 3  3   o 7.1330  0.9686 -1.499000      1.937000  
1 1 1 25 3  4   o 4.6400  1.1310 2.019000       2.262000  
1 1 1 25 3  5   o 8.3390  0.8955 2.173000       1.791000  
1 1 1 25 3  6   o 4.5180  1.1430 1.425000       2.285000  
1 1 1 25 3  7   o 5.8010  1.1640 0.7969000      2.327000  
1 1 1 25 3  8   o 7.1800  1.0520 0.6275000      2.104000  
1 1 1 25 3  9   o 8.2630  1.1280 7.674000       2.256000  
1 1 1 25 3  10  o 8.4210  1.1040 8.011000       2.208000  
1 1 1 25 3  11  o 6.3250  1.0790 5.649000       2.158000  
1 1 1 25 3  12  o 7.4080  1.1110 1.485000       2.222000  
1 1 1 25 3  13  o 5.0160  1.2200 -0.8397000     2.441000  
1 1 1 25 3  14  o 6.4490  1.1650 4.251000       2.331000  
1 1 1 25 3  15  o 4.5320  1.2390 1.443000       2.479000  
1 1 1 25 3  16  o 4.1240  1.8000 ?              ?         
1 1 1 25 3  17  o 3.3180  1.5740 ?              ?         
1 1 1 25 3  18  o 4.1980  1.8090 ?              ?         
1 1 1 25 3  19  o 4.4340  1.8640 ?              ?         
1 1 1 25 4  0   f 5.3350  1.1760 0.000000       0.000000  
1 1 1 25 4  1   o 8.9330  0.4808 0.8735000      0.9616000 
1 1 1 25 4  2   o 6.8640  0.9607 1.633000       1.921000  
1 1 1 25 4  3   o 8.5540  0.8667 0.2988000      1.733000  
1 1 1 25 4  4   o 8.9300  0.8085 0.9215000      1.617000  
1 1 1 25 4  5   o 6.2710  1.1230 -0.1244000     2.247000  
1 1 1 25 4  6   o 4.6820  1.2310 -0.4288000     2.462000  
1 1 1 25 4  7   o 4.5800  1.3760 -1.506000      2.752000  
1 1 1 25 4  8   o 3.3890  1.1230 0.2842000      2.247000  
1 1 1 25 4  9   o 4.3630  1.3260 0.1925000      2.652000  
1 1 1 25 4  10  o 3.6860  1.1540 1.519000       2.308000  
1 1 1 25 4  11  o 7.7630  1.1780 6.150000       2.355000  
1 1 1 25 4  12  f 7.2430  1.2180 4.689000       2.435000  
1 1 1 25 4  13  o 9.9160  1.6000 ?              ?         
1 1 1 25 4  14  o 5.4680  2.0350 ?              ?         
1 1 1 25 4  15  o 7.5070  1.9630 ?              ?         
1 1 1 25 4  16  o 4.4750  1.9180 ?              ?         
1 1 1 25 4  17  o 3.4100  1.6150 ?              ?         
1 1 1 25 5  0   o 6.4260  0.8718 0.000000       0.000000  
1 1 1 25 5  1   o 5.1940  0.7134 0.7152000      1.427000  
1 1 1 25 5  2   o 5.5630  1.0130 -1.323000      2.025000  
1 1 1 25 5  3   o 3.8900  1.0530 -0.5863000     2.106000  
1 1 1 25 5  4   f 3.7280  1.1800 0.3873000      2.360000  
1 1 1 25 5  5   o 4.7260  1.2190 2.209000       2.438000  
1 1 1 25 5  6   o 6.5340  1.8300 ?              ?         
1 1 1 25 5  7   o 9.3780  1.3070 5.921000       2.615000  
1 1 1 25 5  8   o 6.0410  1.7800 ?              ?         
1 1 1 25 5  9   o 6.6300  1.7580 ?              ?         
1 1 1 25 5  10  o 3.7250  1.6260 ?              ?         
1 1 1 25 6  0   o 9.9450  0.9909 0.000000       0.000000  
1 1 1 25 6  1   o 6.7620  1.1710 -0.7445000     2.343000  
1 1 1 25 6  2   o 4.1570  1.1900 0.4110000      2.380000  
1 1 1 25 6  3   o 5.7330  1.4200 0.9081000E-02  2.840000  
1 1 1 25 6  4   o 3.7210  1.1690 1.378000       2.337000  
1 1 1 25 6  5   o 3.7800  1.7930 ?              ?         
1 1 1 25 6  6   o 4.3830  2.0190 ?              ?         
1 1 1 25 6  7   o 5.5720  2.2700 ?              ?         
1 1 1 25 6  8   o 3.9960  1.8660 ?              ?         
# 
#END OF REFLECTIONS
